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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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480459 |
1f8h ![]() ![]() |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 6 HA PRO 6 -1.421 6.968 -27.160 2 1HB PRO 6 2HB PRO 6 -2.934 4.695 -27.123 3 2HB PRO 6 1HB PRO 6 -2.685 5.663 -28.589 4 1HG PRO 6 2HG PRO 6 -1.414 3.108 -27.772 5 2HG PRO 6 1HG PRO 6 -1.876 3.677 -29.382 6 1HD PRO 6 2HD PRO 6 0.696 3.697 -28.389 7 2HD PRO 6 1HD PRO 6 0.113 4.735 -29.708 8 H TRP 7 H TRP 7 -2.960 5.943 -25.269 9 HA TRP 7 HA TRP 7 -1.121 5.388 -23.025 10 1HB TRP 7 2HB TRP 7 -2.942 7.082 -22.928 11 2HB TRP 7 1HB TRP 7 -4.128 5.798 -23.164 12 HD1 TRP 7 HD1 TRP 7 -1.211 4.814 -21.070 13 HE1 TRP 7 HE1 TRP 7 -1.900 4.680 -18.589 14 HE3 TRP 7 HE3 TRP 7 -5.812 7.017 -21.314 15 HZ2 TRP 7 HZ2 TRP 7 -4.112 5.412 -16.928 16 HZ3 TRP 7 HZ3 TRP 7 -7.187 7.287 -19.270 17 HH2 TRP 7 HH2 TRP 7 -6.343 6.487 -17.079 18 H ALA 8 H ALA 8 -0.722 3.316 -22.390 19 HA ALA 8 HA ALA 8 -1.605 0.952 -23.498 20 1HB ALA 8 1HB ALA 8 0.106 0.825 -21.903 21 2HB ALA 8 2HB ALA 8 -1.249 0.109 -21.029 22 3HB ALA 8 3HB ALA 8 -0.793 1.786 -20.730 23 H VAL 9 H VAL 9 -3.357 2.989 -21.229 24 HA VAL 9 HA VAL 9 -5.524 0.951 -21.011 25 HB VAL 9 HB VAL 9 -4.718 3.449 -19.522 26 1HG1 VAL 9 1HG1 VAL 9 -6.765 2.876 -18.063 27 2HG1 VAL 9 2HG1 VAL 9 -7.348 1.963 -19.455 28 3HG1 VAL 9 3HG1 VAL 9 -7.076 3.699 -19.591 29 1HG2 VAL 9 1HG2 VAL 9 -5.198 0.565 -18.704 30 2HG2 VAL 9 2HG2 VAL 9 -4.667 1.856 -17.626 31 3HG2 VAL 9 3HG2 VAL 9 -3.620 1.317 -18.940 32 H LYS 10 H LYS 10 -7.539 1.312 -21.892 33 HA LYS 10 HA LYS 10 -7.837 3.634 -23.724 34 1HB LYS 10 2HB LYS 10 -8.585 0.862 -23.618 35 2HB LYS 10 1HB LYS 10 -10.052 1.832 -23.754 36 1HG LYS 10 2HG LYS 10 -8.690 3.120 -25.600 37 2HG LYS 10 1HG LYS 10 -7.729 1.641 -25.649 38 1HD LYS 10 2HD LYS 10 -10.638 1.175 -25.629 39 2HD LYS 10 1HD LYS 10 -10.058 2.032 -27.058 40 1HE LYS 10 2HE LYS 10 -8.516 -0.368 -26.129 41 2HE LYS 10 1HE LYS 10 -10.036 -0.620 -27.010 42 1HZ LYS 10 1HZ LYS 10 -9.270 0.499 -28.849 43 2HZ LYS 10 2HZ LYS 10 -7.838 -0.253 -28.327 44 3HZ LYS 10 3HZ LYS 10 -8.119 1.386 -27.977 45 HA PRO 11 HA PRO 11 -10.985 5.626 -21.374 46 1HB PRO 11 2HB PRO 11 -13.200 5.741 -22.978 47 2HB PRO 11 1HB PRO 11 -11.755 6.735 -23.251 48 1HG PRO 11 2HG PRO 11 -12.626 4.239 -24.612 49 2HG PRO 11 1HG PRO 11 -11.839 5.675 -25.284 50 1HD PRO 11 2HD PRO 11 -10.524 3.351 -24.746 51 2HD PRO 11 1HD PRO 11 -9.741 4.946 -24.729 52 H GLU 12 H GLU 12 -12.081 2.637 -22.887 53 HA GLU 12 HA GLU 12 -14.332 2.220 -21.074 54 1HB GLU 12 2HB GLU 12 -12.898 0.114 -22.698 55 2HB GLU 12 1HB GLU 12 -14.617 0.224 -22.322 56 1HG GLU 12 2HG GLU 12 -13.023 1.915 -24.251 57 2HG GLU 12 1HG GLU 12 -14.420 0.896 -24.599 58 H ASP 13 H ASP 13 -10.945 1.281 -21.211 59 HA ASP 13 HA ASP 13 -11.115 -0.667 -19.039 60 1HB ASP 13 2HB ASP 13 -9.172 0.455 -20.927 61 2HB ASP 13 1HB ASP 13 -8.473 0.189 -19.329 62 H LYS 14 H LYS 14 -10.295 2.742 -19.414 63 HA LYS 14 HA LYS 14 -9.501 3.056 -16.614 64 1HB LYS 14 2HB LYS 14 -8.560 4.353 -18.542 65 2HB LYS 14 1HB LYS 14 -10.145 5.095 -18.762 66 1HG LYS 14 2HG LYS 14 -9.555 5.383 -16.027 67 2HG LYS 14 1HG LYS 14 -8.066 5.792 -16.877 68 1HD LYS 14 2HD LYS 14 -10.043 7.015 -18.403 69 2HD LYS 14 1HD LYS 14 -10.586 7.266 -16.744 70 1HE LYS 14 2HE LYS 14 -7.890 7.794 -16.535 71 2HE LYS 14 1HE LYS 14 -8.278 8.441 -18.142 72 1HZ LYS 14 1HZ LYS 14 -10.243 9.515 -17.137 73 2HZ LYS 14 2HZ LYS 14 -8.782 10.105 -16.502 74 3HZ LYS 14 3HZ LYS 14 -9.721 9.008 -15.605 75 H ALA 15 H ALA 15 -12.384 3.118 -18.480 76 HA ALA 15 HA ALA 15 -13.974 4.891 -16.837 77 1HB ALA 15 1HB ALA 15 -14.608 2.632 -18.765 78 2HB ALA 15 2HB ALA 15 -14.583 4.358 -19.128 79 3HB ALA 15 3HB ALA 15 -15.835 3.696 -18.077 80 H LYS 16 H LYS 16 -13.403 1.381 -16.907 81 HA LYS 16 HA LYS 16 -15.230 0.818 -14.715 82 1HB LYS 16 2HB LYS 16 -14.802 -1.311 -15.412 83 2HB LYS 16 1HB LYS 16 -13.882 -0.571 -16.716 84 1HG LYS 16 2HG LYS 16 -11.835 -0.935 -15.655 85 2HG LYS 16 1HG LYS 16 -12.565 -1.087 -14.058 86 1HD LYS 16 2HD LYS 16 -12.035 -3.308 -14.634 87 2HD LYS 16 1HD LYS 16 -13.751 -3.175 -15.018 88 1HE LYS 16 2HE LYS 16 -12.660 -2.357 -17.381 89 2HE LYS 16 1HE LYS 16 -11.445 -3.534 -16.839 90 1HZ LYS 16 1HZ LYS 16 -14.344 -3.939 -17.243 91 2HZ LYS 16 2HZ LYS 16 -13.453 -4.959 -16.218 92 3HZ LYS 16 3HZ LYS 16 -13.053 -4.847 -17.865 93 H TYR 17 H TYR 17 -11.833 1.625 -15.087 94 HA TYR 17 HA TYR 17 -10.956 1.001 -12.416 95 1HB TYR 17 2HB TYR 17 -10.010 3.085 -14.419 96 2HB TYR 17 1HB TYR 17 -9.075 2.483 -13.055 97 HD1 TYR 17 HD1 TYR 17 -7.761 2.231 -15.549 98 HD2 TYR 17 HD2 TYR 17 -10.798 -0.320 -13.907 99 HE1 TYR 17 HE1 TYR 17 -6.919 0.354 -16.934 100 HE2 TYR 17 HE2 TYR 17 -9.965 -2.199 -15.297 101 HH TYR 17 HH TYR 17 -8.610 -2.311 -17.617 102 H ASP 18 H ASP 18 -12.408 3.844 -13.942 103 HA ASP 18 HA ASP 18 -12.108 5.629 -11.685 104 1HB ASP 18 2HB ASP 18 -13.846 5.493 -14.158 105 2HB ASP 18 1HB ASP 18 -13.994 6.820 -13.004 106 H ALA 19 H ALA 19 -14.337 3.051 -12.416 107 HA ALA 19 HA ALA 19 -16.425 3.991 -10.573 108 1HB ALA 19 1HB ALA 19 -15.870 1.623 -12.332 109 2HB ALA 19 2HB ALA 19 -17.278 2.685 -12.306 110 3HB ALA 19 3HB ALA 19 -17.077 1.457 -11.057 111 H ILE 20 H ILE 20 -13.776 1.636 -10.626 112 HA ILE 20 HA ILE 20 -14.304 0.607 -7.960 113 HB ILE 20 HB ILE 20 -11.997 0.517 -9.931 114 1HG1 ILE 20 2HG1 ILE 20 -13.702 -1.798 -9.048 115 2HG1 ILE 20 1HG1 ILE 20 -14.306 -0.681 -10.272 116 1HG2 ILE 20 1HG2 ILE 20 -10.750 -0.768 -8.500 117 2HG2 ILE 20 2HG2 ILE 20 -12.168 -1.416 -7.675 118 3HG2 ILE 20 3HG2 ILE 20 -11.593 0.208 -7.300 119 1HD1 ILE 20 1HD1 ILE 20 -12.316 -1.084 -11.655 120 2HD1 ILE 20 2HD1 ILE 20 -13.128 -2.608 -11.297 121 3HD1 ILE 20 3HD1 ILE 20 -11.664 -2.163 -10.421 122 H PHE 21 H PHE 21 -12.471 3.176 -9.457 123 HA PHE 21 HA PHE 21 -10.843 3.813 -7.151 124 1HB PHE 21 2HB PHE 21 -9.889 4.630 -9.082 125 2HB PHE 21 1HB PHE 21 -11.449 4.847 -9.870 126 HD1 PHE 21 HD1 PHE 21 -8.736 6.484 -8.196 127 HD2 PHE 21 HD2 PHE 21 -12.940 6.794 -9.027 128 HE1 PHE 21 HE1 PHE 21 -8.659 8.912 -7.692 129 HE2 PHE 21 HE2 PHE 21 -12.862 9.220 -8.524 130 HZ PHE 21 HZ PHE 21 -10.723 10.279 -7.857 131 H ASP 22 H ASP 22 -13.936 4.878 -8.465 132 HA ASP 22 HA ASP 22 -14.304 6.898 -6.342 133 1HB ASP 22 2HB ASP 22 -15.023 7.478 -8.551 134 2HB ASP 22 1HB ASP 22 -15.874 5.946 -8.747 135 H SER 23 H SER 23 -14.588 3.606 -6.467 136 HA SER 23 HA SER 23 -17.150 3.410 -4.975 137 1HB SER 23 2HB SER 23 -16.870 1.674 -6.545 138 2HB SER 23 1HB SER 23 -15.143 1.539 -6.225 139 HG SER 23 HG SER 23 -17.145 0.174 -5.138 140 H LEU 24 H LEU 24 -13.966 4.108 -4.336 141 HA LEU 24 HA LEU 24 -13.981 2.843 -1.624 142 1HB LEU 24 2HB LEU 24 -11.575 4.202 -2.731 143 2HB LEU 24 1HB LEU 24 -11.691 2.682 -1.852 144 HG LEU 24 HG LEU 24 -12.568 3.049 -4.726 145 1HD1 LEU 24 1HD1 LEU 24 -9.967 3.090 -3.793 146 2HD1 LEU 24 2HD1 LEU 24 -10.453 2.606 -5.420 147 3HD1 LEU 24 3HD1 LEU 24 -10.213 1.386 -4.168 148 1HD2 LEU 24 1HD2 LEU 24 -12.734 0.656 -4.752 149 2HD2 LEU 24 2HD2 LEU 24 -13.578 1.195 -3.300 150 3HD2 LEU 24 3HD2 LEU 24 -11.951 0.524 -3.177 151 H SER 25 H SER 25 -14.607 5.696 -3.240 152 HA SER 25 HA SER 25 -15.232 7.804 -2.303 153 1HB SER 25 2HB SER 25 -13.631 7.177 0.162 154 2HB SER 25 1HB SER 25 -15.108 8.125 0.007 155 HG SER 25 HG SER 25 -16.275 6.327 -0.011 156 HA PRO 26 HA PRO 26 -11.063 8.917 -3.770 157 1HB PRO 26 2HB PRO 26 -11.979 10.754 -5.572 158 2HB PRO 26 1HB PRO 26 -11.894 9.016 -5.927 159 1HG PRO 26 2HG PRO 26 -14.232 10.673 -5.134 160 2HG PRO 26 1HG PRO 26 -14.132 9.355 -6.313 161 1HD PRO 26 2HD PRO 26 -15.155 9.051 -3.806 162 2HD PRO 26 1HD PRO 26 -14.381 7.733 -4.710 163 H VAL 27 H VAL 27 -9.873 10.777 -3.274 164 HA VAL 27 HA VAL 27 -11.342 12.955 -1.829 165 HB VAL 27 HB VAL 27 -8.654 11.636 -1.337 166 1HG1 VAL 27 1HG1 VAL 27 -9.105 13.334 0.779 167 2HG1 VAL 27 2HG1 VAL 27 -9.695 14.286 -0.583 168 3HG1 VAL 27 3HG1 VAL 27 -8.037 13.687 -0.580 169 1HG2 VAL 27 1HG2 VAL 27 -10.875 10.584 -0.540 170 2HG2 VAL 27 2HG2 VAL 27 -10.981 11.955 0.566 171 3HG2 VAL 27 3HG2 VAL 27 -9.625 10.833 0.677 172 H ASN 28 H ASN 28 -11.371 14.566 -3.394 173 HA ASN 28 HA ASN 28 -10.523 16.202 -4.866 174 1HB ASN 28 2HB ASN 28 -9.124 16.773 -2.985 175 2HB ASN 28 1HB ASN 28 -8.061 15.401 -3.286 176 1HD2 ASN 28 1HD2 ASN 28 -6.216 15.870 -4.487 177 2HD2 ASN 28 2HD2 ASN 28 -6.035 17.218 -5.503 178 H GLY 29 H GLY 29 -10.377 13.148 -5.456 179 1HA GLY 29 2HA GLY 29 -9.981 12.189 -7.631 180 2HA GLY 29 1HA GLY 29 -8.812 13.469 -7.955 181 H PHE 30 H PHE 30 -8.909 11.445 -5.044 182 HA PHE 30 HA PHE 30 -6.542 9.922 -5.988 183 1HB PHE 30 2HB PHE 30 -6.611 11.861 -3.668 184 2HB PHE 30 1HB PHE 30 -5.331 10.654 -3.875 185 HD1 PHE 30 HD1 PHE 30 -6.717 13.808 -5.045 186 HD2 PHE 30 HD2 PHE 30 -3.911 10.682 -5.907 187 HE1 PHE 30 HE1 PHE 30 -5.602 15.276 -6.691 188 HE2 PHE 30 HE2 PHE 30 -2.775 12.157 -7.556 189 HZ PHE 30 HZ PHE 30 -3.623 14.456 -7.950 190 H LEU 31 H LEU 31 -6.179 8.021 -4.835 191 HA LEU 31 HA LEU 31 -8.207 7.340 -2.716 192 1HB LEU 31 2HB LEU 31 -7.029 5.747 -4.998 193 2HB LEU 31 1HB LEU 31 -7.779 4.965 -3.606 194 HG LEU 31 HG LEU 31 -9.079 6.855 -5.568 195 1HD1 LEU 31 1HD1 LEU 31 -9.404 4.823 -6.541 196 2HD1 LEU 31 2HD1 LEU 31 -10.601 4.581 -5.265 197 3HD1 LEU 31 3HD1 LEU 31 -8.962 3.958 -5.066 198 1HD2 LEU 31 1HD2 LEU 31 -10.044 5.770 -2.907 199 2HD2 LEU 31 2HD2 LEU 31 -11.140 6.393 -4.141 200 3HD2 LEU 31 3HD2 LEU 31 -9.945 7.460 -3.403 201 H SER 32 H SER 32 -7.244 6.729 -0.826 202 HA SER 32 HA SER 32 -4.329 6.660 -0.643 203 1HB SER 32 2HB SER 32 -5.421 5.719 1.746 204 2HB SER 32 1HB SER 32 -5.051 7.401 1.378 205 HG SER 32 HG SER 32 -7.489 6.013 1.255 206 H GLY 33 H GLY 33 -3.051 4.795 -0.184 207 1HA GLY 33 2HA GLY 33 -3.669 2.385 -1.443 208 2HA GLY 33 1HA GLY 33 -2.570 2.485 -0.065 209 H ASP 34 H ASP 34 -4.785 3.627 1.601 210 HA ASP 34 HA ASP 34 -5.715 1.217 2.824 211 1HB ASP 34 2HB ASP 34 -5.538 3.284 4.054 212 2HB ASP 34 1HB ASP 34 -6.597 4.117 2.915 213 H LYS 35 H LYS 35 -6.890 3.056 0.095 214 HA LYS 35 HA LYS 35 -9.501 1.611 0.167 215 1HB LYS 35 2HB LYS 35 -8.408 4.040 -1.291 216 2HB LYS 35 1HB LYS 35 -9.984 3.341 -1.658 217 1HG LYS 35 2HG LYS 35 -10.844 3.858 0.484 218 2HG LYS 35 1HG LYS 35 -9.234 4.105 1.162 219 1HD LYS 35 2HD LYS 35 -8.952 6.171 0.036 220 2HD LYS 35 1HD LYS 35 -10.286 5.845 -1.069 221 1HE LYS 35 2HE LYS 35 -11.355 7.280 0.418 222 2HE LYS 35 1HE LYS 35 -11.656 5.737 1.244 223 1HZ LYS 35 1HZ LYS 35 -9.285 7.469 1.698 224 2HZ LYS 35 2HZ LYS 35 -9.656 6.031 2.523 225 3HZ LYS 35 3HZ LYS 35 -10.637 7.404 2.722 226 H VAL 36 H VAL 36 -6.528 2.153 -1.628 227 HA VAL 36 HA VAL 36 -7.354 0.502 -3.912 228 HB VAL 36 HB VAL 36 -4.715 1.693 -3.030 229 1HG1 VAL 36 1HG1 VAL 36 -3.780 0.944 -4.987 230 2HG1 VAL 36 2HG1 VAL 36 -5.309 1.009 -5.864 231 3HG1 VAL 36 3HG1 VAL 36 -4.975 -0.333 -4.771 232 1HG2 VAL 36 1HG2 VAL 36 -6.022 2.829 -5.371 233 2HG2 VAL 36 2HG2 VAL 36 -5.438 3.639 -3.917 234 3HG2 VAL 36 3HG2 VAL 36 -7.052 2.930 -3.941 235 H LYS 37 H LYS 37 -5.027 0.220 -1.201 236 HA LYS 37 HA LYS 37 -3.817 -2.197 -1.690 237 1HB LYS 37 2HB LYS 37 -3.369 -0.900 0.295 238 2HB LYS 37 1HB LYS 37 -5.018 -1.123 0.875 239 1HG LYS 37 2HG LYS 37 -4.637 -3.288 1.559 240 2HG LYS 37 1HG LYS 37 -3.436 -3.581 0.299 241 1HD LYS 37 2HD LYS 37 -1.772 -3.100 1.730 242 2HD LYS 37 1HD LYS 37 -2.472 -1.511 2.043 243 1HE LYS 37 2HE LYS 37 -4.151 -2.891 3.562 244 2HE LYS 37 1HE LYS 37 -2.818 -4.062 3.581 245 1HZ LYS 37 1HZ LYS 37 -2.314 -1.185 3.999 246 2HZ LYS 37 2HZ LYS 37 -1.348 -2.510 4.442 247 3HZ LYS 37 3HZ LYS 37 -2.778 -2.172 5.297 248 HA PRO 38 HA PRO 38 -7.628 -4.638 -0.073 249 1HB PRO 38 2HB PRO 38 -10.027 -3.307 -0.104 250 2HB PRO 38 1HB PRO 38 -8.980 -3.382 1.328 251 1HG PRO 38 2HG PRO 38 -9.284 -1.205 -0.683 252 2HG PRO 38 1HG PRO 38 -9.130 -1.096 1.077 253 1HD PRO 38 2HD PRO 38 -7.067 -0.607 -0.575 254 2HD PRO 38 1HD PRO 38 -6.841 -1.337 1.028 255 H VAL 39 H VAL 39 -8.041 -2.115 -2.484 256 HA VAL 39 HA VAL 39 -9.799 -3.545 -4.267 257 HB VAL 39 HB VAL 39 -7.984 -1.164 -4.290 258 1HG1 VAL 39 1HG1 VAL 39 -9.367 -2.140 -6.797 259 2HG1 VAL 39 2HG1 VAL 39 -7.644 -2.362 -6.493 260 3HG1 VAL 39 3HG1 VAL 39 -8.310 -0.739 -6.630 261 1HG2 VAL 39 1HG2 VAL 39 -10.262 -0.244 -5.218 262 2HG2 VAL 39 2HG2 VAL 39 -10.113 -0.635 -3.507 263 3HG2 VAL 39 3HG2 VAL 39 -10.906 -1.766 -4.603 264 H LEU 40 H LEU 40 -6.292 -3.339 -3.856 265 HA LEU 40 HA LEU 40 -5.741 -4.956 -6.254 266 1HB LEU 40 2HB LEU 40 -3.990 -3.968 -3.979 267 2HB LEU 40 1HB LEU 40 -3.428 -4.548 -5.549 268 HG LEU 40 HG LEU 40 -5.323 -2.214 -5.224 269 1HD1 LEU 40 1HD1 LEU 40 -2.339 -2.378 -5.175 270 2HD1 LEU 40 2HD1 LEU 40 -3.423 -1.281 -4.322 271 3HD1 LEU 40 3HD1 LEU 40 -3.084 -1.027 -6.032 272 1HD2 LEU 40 1HD2 LEU 40 -5.372 -3.396 -7.379 273 2HD2 LEU 40 2HD2 LEU 40 -3.622 -3.207 -7.520 274 3HD2 LEU 40 3HD2 LEU 40 -4.669 -1.787 -7.558 275 H LEU 41 H LEU 41 -5.954 -5.355 -2.758 276 HA LEU 41 HA LEU 41 -4.741 -7.974 -2.637 277 1HB LEU 41 2HB LEU 41 -6.639 -6.392 -0.885 278 2HB LEU 41 1HB LEU 41 -5.970 -7.951 -0.405 279 HG LEU 41 HG LEU 41 -4.184 -5.693 -1.298 280 1HD1 LEU 41 1HD1 LEU 41 -5.371 -6.242 1.431 281 2HD1 LEU 41 2HD1 LEU 41 -5.399 -4.729 0.525 282 3HD1 LEU 41 3HD1 LEU 41 -3.885 -5.315 1.216 283 1HD2 LEU 41 1HD2 LEU 41 -2.942 -7.662 -1.204 284 2HD2 LEU 41 2HD2 LEU 41 -3.922 -8.334 0.101 285 3HD2 LEU 41 3HD2 LEU 41 -2.744 -7.065 0.445 286 H ASN 42 H ASN 42 -7.707 -6.799 -3.834 287 HA ASN 42 HA ASN 42 -9.249 -9.216 -3.232 288 1HB ASN 42 2HB ASN 42 -9.820 -6.580 -3.638 289 2HB ASN 42 1HB ASN 42 -10.191 -7.241 -5.231 290 1HD2 ASN 42 1HD2 ASN 42 -11.861 -6.367 -2.659 291 2HD2 ASN 42 2HD2 ASN 42 -13.000 -7.619 -2.539 292 H SER 43 H SER 43 -7.010 -8.243 -5.592 293 HA SER 43 HA SER 43 -8.147 -9.652 -7.886 294 1HB SER 43 2HB SER 43 -5.957 -9.057 -8.866 295 2HB SER 43 1HB SER 43 -6.671 -7.678 -8.036 296 HG SER 43 HG SER 43 -5.283 -7.963 -6.365 297 H LYS 44 H LYS 44 -7.082 -10.897 -5.070 298 HA LYS 44 HA LYS 44 -6.323 -13.055 -4.468 299 1HB LYS 44 2HB LYS 44 -7.807 -13.336 -6.702 300 2HB LYS 44 1HB LYS 44 -6.251 -13.879 -7.331 301 1HG LYS 44 2HG LYS 44 -7.068 -15.879 -6.490 302 2HG LYS 44 1HG LYS 44 -6.204 -15.276 -5.075 303 1HD LYS 44 2HD LYS 44 -8.615 -14.068 -4.723 304 2HD LYS 44 1HD LYS 44 -9.118 -15.555 -5.530 305 1HE LYS 44 2HE LYS 44 -8.766 -16.751 -3.638 306 2HE LYS 44 1HE LYS 44 -7.109 -16.127 -3.508 307 1HZ LYS 44 1HZ LYS 44 -9.353 -14.329 -2.918 308 2HZ LYS 44 2HZ LYS 44 -7.773 -14.321 -2.294 309 3HZ LYS 44 3HZ LYS 44 -8.901 -15.465 -1.742 310 H LEU 45 H LEU 45 -4.595 -10.811 -6.000 311 HA LEU 45 HA LEU 45 -2.220 -12.452 -6.708 312 1HB LEU 45 2HB LEU 45 -3.175 -9.624 -7.010 313 2HB LEU 45 1HB LEU 45 -1.442 -9.944 -7.103 314 HG LEU 45 HG LEU 45 -3.521 -11.415 -8.745 315 1HD1 LEU 45 1HD1 LEU 45 -1.603 -9.304 -9.741 316 2HD1 LEU 45 2HD1 LEU 45 -3.230 -8.895 -9.198 317 3HD1 LEU 45 3HD1 LEU 45 -3.005 -9.985 -10.567 318 1HD2 LEU 45 1HD2 LEU 45 -1.764 -12.564 -9.687 319 2HD2 LEU 45 2HD2 LEU 45 -1.025 -12.240 -8.117 320 3HD2 LEU 45 3HD2 LEU 45 -0.649 -11.212 -9.502 321 HA PRO 46 HA PRO 46 -0.313 -11.724 -2.829 322 1HB PRO 46 2HB PRO 46 2.326 -11.729 -3.555 323 2HB PRO 46 1HB PRO 46 1.335 -13.199 -3.508 324 1HG PRO 46 2HG PRO 46 2.183 -11.570 -5.830 325 2HG PRO 46 1HG PRO 46 1.967 -13.319 -5.693 326 1HD PRO 46 2HD PRO 46 0.157 -11.616 -6.874 327 2HD PRO 46 1HD PRO 46 -0.245 -13.214 -6.215 328 H VAL 47 H VAL 47 1.207 -10.084 -1.731 329 HA VAL 47 HA VAL 47 0.554 -7.413 -2.551 330 HB VAL 47 HB VAL 47 2.010 -8.847 -0.420 331 1HG1 VAL 47 1HG1 VAL 47 2.755 -5.984 -1.083 332 2HG1 VAL 47 2HG1 VAL 47 3.832 -7.376 -1.183 333 3HG1 VAL 47 3HG1 VAL 47 3.218 -6.850 0.382 334 1HG2 VAL 47 1HG2 VAL 47 0.878 -6.394 0.430 335 2HG2 VAL 47 2HG2 VAL 47 0.217 -8.016 0.636 336 3HG2 VAL 47 3HG2 VAL 47 -0.209 -7.064 -0.785 337 H ASP 48 H ASP 48 2.840 -9.614 -3.727 338 HA ASP 48 HA ASP 48 4.993 -7.769 -4.288 339 1HB ASP 48 2HB ASP 48 4.189 -10.472 -5.416 340 2HB ASP 48 1HB ASP 48 5.731 -9.682 -5.746 341 H ILE 49 H ILE 49 2.035 -8.800 -5.844 342 HA ILE 49 HA ILE 49 2.684 -7.472 -8.385 343 HB ILE 49 HB ILE 49 -0.003 -8.474 -7.442 344 1HG1 ILE 49 2HG1 ILE 49 1.499 -10.266 -6.905 345 2HG1 ILE 49 1HG1 ILE 49 0.726 -10.691 -8.428 346 1HG2 ILE 49 1HG2 ILE 49 -0.461 -7.793 -9.543 347 2HG2 ILE 49 2HG2 ILE 49 0.440 -9.215 -10.070 348 3HG2 ILE 49 3HG2 ILE 49 1.246 -7.650 -9.955 349 1HD1 ILE 49 1HD1 ILE 49 2.713 -9.671 -9.611 350 2HD1 ILE 49 2HD1 ILE 49 3.064 -11.136 -8.690 351 3HD1 ILE 49 3HD1 ILE 49 3.496 -9.556 -8.033 352 H LEU 50 H LEU 50 0.654 -7.012 -5.556 353 HA LEU 50 HA LEU 50 -0.522 -4.509 -6.509 354 1HB LEU 50 2HB LEU 50 -0.375 -5.542 -3.681 355 2HB LEU 50 1HB LEU 50 -1.655 -4.591 -4.427 356 HG LEU 50 HG LEU 50 -0.977 -7.487 -5.019 357 1HD1 LEU 50 1HD1 LEU 50 -3.359 -7.774 -4.206 358 2HD1 LEU 50 2HD1 LEU 50 -3.290 -6.095 -3.664 359 3HD1 LEU 50 3HD1 LEU 50 -2.196 -7.292 -2.971 360 1HD2 LEU 50 1HD2 LEU 50 -2.224 -7.372 -6.912 361 2HD2 LEU 50 2HD2 LEU 50 -1.990 -5.627 -6.808 362 3HD2 LEU 50 3HD2 LEU 50 -3.446 -6.362 -6.139 363 H GLY 51 H GLY 51 2.214 -5.568 -4.585 364 1HA GLY 51 2HA GLY 51 2.788 -2.956 -3.442 365 2HA GLY 51 1HA GLY 51 3.905 -4.325 -3.491 366 H ARG 52 H ARG 52 3.413 -4.641 -6.388 367 HA ARG 52 HA ARG 52 5.308 -2.548 -7.324 368 1HB ARG 52 2HB ARG 52 5.975 -4.868 -7.566 369 2HB ARG 52 1HB ARG 52 4.451 -5.257 -8.364 370 1HG ARG 52 2HG ARG 52 5.049 -3.631 -10.175 371 2HG ARG 52 1HG ARG 52 6.627 -3.429 -9.411 372 1HD ARG 52 2HD ARG 52 5.475 -5.948 -10.645 373 2HD ARG 52 1HD ARG 52 6.975 -5.103 -11.074 374 HE ARG 52 HE ARG 52 7.476 -5.646 -8.483 375 1HH1 ARG 52 1HH2 ARG 52 6.414 -7.533 -11.158 376 2HH1 ARG 52 2HH2 ARG 52 6.816 -9.049 -10.422 377 1HH2 ARG 52 2HH1 ARG 52 7.847 -7.629 -7.431 378 2HH2 ARG 52 1HH1 ARG 52 7.626 -9.103 -8.314 379 H VAL 53 H VAL 53 2.065 -3.896 -7.936 380 HA VAL 53 HA VAL 53 1.686 -2.475 -10.445 381 HB VAL 53 HB VAL 53 -0.092 -3.826 -8.407 382 1HG1 VAL 53 1HG1 VAL 53 -1.536 -3.318 -10.808 383 2HG1 VAL 53 2HG1 VAL 53 -0.881 -1.775 -10.261 384 3HG1 VAL 53 3HG1 VAL 53 -1.901 -2.731 -9.186 385 1HG2 VAL 53 1HG2 VAL 53 0.073 -5.611 -9.811 386 2HG2 VAL 53 2HG2 VAL 53 1.455 -4.757 -10.499 387 3HG2 VAL 53 3HG2 VAL 53 -0.137 -4.610 -11.252 388 H TRP 54 H TRP 54 1.046 -1.776 -7.031 389 HA TRP 54 HA TRP 54 -0.410 0.673 -7.408 390 1HB TRP 54 2HB TRP 54 -0.453 -0.225 -5.228 391 2HB TRP 54 1HB TRP 54 1.279 -0.564 -5.233 392 HD1 TRP 54 HD1 TRP 54 2.918 1.644 -5.165 393 HE1 TRP 54 HE1 TRP 54 2.591 3.902 -4.010 394 HE3 TRP 54 HE3 TRP 54 -2.111 1.481 -4.361 395 HZ2 TRP 54 HZ2 TRP 54 0.483 5.432 -2.835 396 HZ3 TRP 54 HZ3 TRP 54 -3.252 3.366 -3.197 397 HH2 TRP 54 HH2 TRP 54 -1.960 5.317 -2.438 398 H GLU 55 H GLU 55 3.069 0.041 -6.785 399 HA GLU 55 HA GLU 55 4.013 2.677 -6.853 400 1HB GLU 55 2HB GLU 55 5.152 0.034 -7.733 401 2HB GLU 55 1HB GLU 55 6.112 1.512 -7.771 402 1HG GLU 55 2HG GLU 55 4.656 1.116 -5.254 403 2HG GLU 55 1HG GLU 55 5.859 -0.130 -5.581 404 H LEU 56 H LEU 56 3.951 0.451 -9.659 405 HA LEU 56 HA LEU 56 4.597 2.463 -11.588 406 1HB LEU 56 2HB LEU 56 3.007 -0.113 -11.833 407 2HB LEU 56 1HB LEU 56 3.719 0.768 -13.185 408 HG LEU 56 HG LEU 56 5.589 0.160 -10.976 409 1HD1 LEU 56 1HD1 LEU 56 4.880 -2.103 -12.815 410 2HD1 LEU 56 2HD1 LEU 56 3.950 -1.865 -11.336 411 3HD1 LEU 56 3HD1 LEU 56 5.687 -2.155 -11.248 412 1HD2 LEU 56 1HD2 LEU 56 6.445 -0.821 -13.502 413 2HD2 LEU 56 2HD2 LEU 56 6.967 0.663 -12.703 414 3HD2 LEU 56 3HD2 LEU 56 5.597 0.691 -13.815 415 H SER 57 H SER 57 1.716 1.730 -9.840 416 HA SER 57 HA SER 57 -0.125 3.094 -11.700 417 1HB SER 57 2HB SER 57 -1.030 1.258 -10.500 418 2HB SER 57 1HB SER 57 -0.277 1.765 -8.992 419 HG SER 57 HG SER 57 -2.097 3.460 -10.293 420 H ASP 58 H ASP 58 1.604 3.688 -8.677 421 HA ASP 58 HA ASP 58 0.342 6.197 -8.002 422 1HB ASP 58 2HB ASP 58 2.221 4.365 -6.962 423 2HB ASP 58 1HB ASP 58 3.072 5.903 -7.090 424 H ILE 59 H ILE 59 0.407 7.507 -9.944 425 HA ILE 59 HA ILE 59 2.868 7.938 -11.422 426 HB ILE 59 HB ILE 59 0.239 9.444 -11.305 427 1HG1 ILE 59 2HG1 ILE 59 0.156 6.988 -11.919 428 2HG1 ILE 59 1HG1 ILE 59 -0.414 8.075 -13.185 429 1HG2 ILE 59 1HG2 ILE 59 2.710 9.717 -12.939 430 2HG2 ILE 59 2HG2 ILE 59 1.532 10.941 -12.466 431 3HG2 ILE 59 3HG2 ILE 59 1.175 9.843 -13.800 432 1HD1 ILE 59 1HD1 ILE 59 2.475 7.241 -13.112 433 2HD1 ILE 59 2HD1 ILE 59 1.513 7.782 -14.487 434 3HD1 ILE 59 3HD1 ILE 59 1.263 6.169 -13.816 435 H ASP 60 H ASP 60 1.420 9.461 -8.613 436 HA ASP 60 HA ASP 60 3.386 11.710 -8.837 437 1HB ASP 60 2HB ASP 60 1.818 12.842 -7.290 438 2HB ASP 60 1HB ASP 60 0.987 12.270 -8.738 439 H HIS 61 H HIS 61 2.807 8.796 -7.161 440 HA HIS 61 HA HIS 61 3.879 7.837 -5.280 441 1HB HIS 61 2HB HIS 61 5.703 10.227 -5.735 442 2HB HIS 61 1HB HIS 61 6.105 8.798 -4.789 443 HD1 HIS 61 HD1 HIS 61 7.894 9.356 -7.150 444 HD2 HIS 61 HD2 HIS 61 4.418 7.087 -7.487 445 HE1 HIS 61 HE1 HIS 61 8.185 7.900 -9.203 446 H ASP 62 H ASP 62 1.663 9.505 -4.723 447 HA ASP 62 HA ASP 62 2.530 11.110 -2.351 448 1HB ASP 62 2HB ASP 62 0.457 12.288 -2.673 449 2HB ASP 62 1HB ASP 62 1.161 12.076 -4.278 450 H GLY 63 H GLY 63 1.734 8.031 -2.909 451 1HA GLY 63 2HA GLY 63 1.052 6.373 -1.360 452 2HA GLY 63 1HA GLY 63 0.638 7.658 -0.224 453 H MET 64 H MET 64 -0.593 7.798 -3.493 454 HA MET 64 HA MET 64 -3.168 6.580 -2.725 455 1HB MET 64 2HB MET 64 -3.382 9.345 -3.811 456 2HB MET 64 1HB MET 64 -4.430 8.500 -2.676 457 1HG MET 64 2HG MET 64 -2.543 8.722 -0.979 458 2HG MET 64 1HG MET 64 -1.787 9.843 -2.112 459 1HE MET 64 1HE MET 64 -4.529 8.745 -0.088 460 2HE MET 64 2HE MET 64 -5.850 9.536 -0.945 461 3HE MET 64 3HE MET 64 -5.300 10.181 0.599 462 H LEU 65 H LEU 65 -4.645 6.426 -4.613 463 HA LEU 65 HA LEU 65 -3.141 6.537 -7.208 464 1HB LEU 65 2HB LEU 65 -5.136 4.627 -5.998 465 2HB LEU 65 1HB LEU 65 -4.917 4.693 -7.745 466 HG LEU 65 HG LEU 65 -2.825 4.039 -5.655 467 1HD1 LEU 65 1HD1 LEU 65 -4.620 2.406 -6.878 468 2HD1 LEU 65 2HD1 LEU 65 -3.010 1.880 -6.383 469 3HD1 LEU 65 3HD1 LEU 65 -3.306 2.361 -8.053 470 1HD2 LEU 65 1HD2 LEU 65 -2.563 4.702 -8.596 471 2HD2 LEU 65 2HD2 LEU 65 -1.356 3.739 -7.744 472 3HD2 LEU 65 3HD2 LEU 65 -1.673 5.400 -7.244 473 H ASP 66 H ASP 66 -3.895 8.493 -8.081 474 HA ASP 66 HA ASP 66 -6.595 9.461 -7.747 475 1HB ASP 66 2HB ASP 66 -5.061 11.122 -8.238 476 2HB ASP 66 1HB ASP 66 -4.163 10.107 -9.364 477 H ARG 67 H ARG 67 -7.942 9.918 -9.791 478 HA ARG 67 HA ARG 67 -9.009 7.563 -10.850 479 1HB ARG 67 2HB ARG 67 -9.819 9.162 -12.691 480 2HB ARG 67 1HB ARG 67 -10.204 9.605 -11.030 481 1HG ARG 67 2HG ARG 67 -8.967 11.487 -11.149 482 2HG ARG 67 1HG ARG 67 -7.598 10.624 -11.852 483 1HD ARG 67 2HD ARG 67 -9.095 10.593 -14.026 484 2HD ARG 67 1HD ARG 67 -9.900 11.967 -13.245 485 HE ARG 67 HE ARG 67 -7.005 12.188 -13.128 486 1HH1 ARG 67 1HH2 ARG 67 -7.618 11.776 -16.048 487 2HH1 ARG 67 2HH2 ARG 67 -7.882 13.399 -16.589 488 1HH2 ARG 67 2HH1 ARG 67 -8.288 14.678 -13.391 489 2HH2 ARG 67 1HH1 ARG 67 -8.262 15.043 -15.084 490 H ASP 68 H ASP 68 -6.244 9.410 -12.056 491 HA ASP 68 HA ASP 68 -6.063 7.754 -14.496 492 1HB ASP 68 2HB ASP 68 -5.104 10.291 -13.485 493 2HB ASP 68 1HB ASP 68 -3.752 9.341 -14.106 494 H GLU 69 H GLU 69 -4.568 8.028 -11.325 495 HA GLU 69 HA GLU 69 -2.371 6.184 -11.938 496 1HB GLU 69 2HB GLU 69 -3.527 7.143 -9.300 497 2HB GLU 69 1HB GLU 69 -1.923 6.451 -9.547 498 1HG GLU 69 2HG GLU 69 -1.482 8.346 -11.178 499 2HG GLU 69 1HG GLU 69 -2.977 9.082 -10.600 500 H PHE 70 H PHE 70 -5.516 6.058 -10.290 501 HA PHE 70 HA PHE 70 -5.371 3.333 -9.404 502 1HB PHE 70 2HB PHE 70 -6.981 5.279 -8.818 503 2HB PHE 70 1HB PHE 70 -7.852 4.830 -10.285 504 HD1 PHE 70 HD1 PHE 70 -6.903 3.781 -6.884 505 HD2 PHE 70 HD2 PHE 70 -9.034 2.702 -10.455 506 HE1 PHE 70 HE1 PHE 70 -8.041 1.955 -5.653 507 HE2 PHE 70 HE2 PHE 70 -10.174 0.878 -9.222 508 HZ PHE 70 HZ PHE 70 -9.674 0.506 -6.823 509 H ALA 71 H ALA 71 -5.997 4.832 -12.499 510 HA ALA 71 HA ALA 71 -7.341 2.600 -13.761 511 1HB ALA 71 1HB ALA 71 -7.048 5.152 -14.368 512 2HB ALA 71 2HB ALA 71 -7.171 3.966 -15.665 513 3HB ALA 71 3HB ALA 71 -5.591 4.589 -15.187 514 H VAL 72 H VAL 72 -3.979 3.774 -13.909 515 HA VAL 72 HA VAL 72 -2.887 1.719 -15.512 516 HB VAL 72 HB VAL 72 -1.729 3.380 -13.251 517 1HG1 VAL 72 1HG1 VAL 72 0.466 2.900 -14.306 518 2HG1 VAL 72 2HG1 VAL 72 -0.329 1.785 -15.418 519 3HG1 VAL 72 3HG1 VAL 72 -0.300 1.437 -13.689 520 1HG2 VAL 72 1HG2 VAL 72 -1.173 4.974 -14.887 521 2HG2 VAL 72 2HG2 VAL 72 -2.766 4.425 -15.416 522 3HG2 VAL 72 3HG2 VAL 72 -1.313 3.807 -16.203 523 H ALA 73 H ALA 73 -3.782 1.719 -12.117 524 HA ALA 73 HA ALA 73 -2.272 -0.751 -11.539 525 1HB ALA 73 1HB ALA 73 -2.385 0.175 -9.494 526 2HB ALA 73 2HB ALA 73 -4.141 0.016 -9.507 527 3HB ALA 73 3HB ALA 73 -3.382 1.471 -10.153 528 H MET 74 H MET 74 -5.277 -0.093 -12.969 529 HA MET 74 HA MET 74 -6.680 -2.401 -11.755 530 1HB MET 74 2HB MET 74 -7.381 -0.472 -13.995 531 2HB MET 74 1HB MET 74 -8.490 -1.652 -13.292 532 1HG MET 74 2HG MET 74 -7.139 0.048 -11.306 533 2HG MET 74 1HG MET 74 -8.202 0.931 -12.402 534 1HE MET 74 1HE MET 74 -8.995 -2.381 -9.469 535 2HE MET 74 2HE MET 74 -8.460 -0.809 -8.875 536 3HE MET 74 3HE MET 74 -7.492 -1.666 -10.072 537 H PHE 75 H PHE 75 -5.341 -1.505 -14.950 538 HA PHE 75 HA PHE 75 -5.969 -4.142 -16.056 539 1HB PHE 75 2HB PHE 75 -5.180 -3.213 -18.053 540 2HB PHE 75 1HB PHE 75 -5.673 -1.764 -17.179 541 HD1 PHE 75 HD1 PHE 75 -2.827 -3.762 -18.367 542 HD2 PHE 75 HD2 PHE 75 -4.021 -0.265 -16.185 543 HE1 PHE 75 HE1 PHE 75 -0.509 -2.893 -18.496 544 HE2 PHE 75 HE2 PHE 75 -1.709 0.602 -16.314 545 HZ PHE 75 HZ PHE 75 0.052 -0.708 -17.468 546 H LEU 76 H LEU 76 -3.414 -2.658 -14.262 547 HA LEU 76 HA LEU 76 -1.312 -4.563 -14.926 548 1HB LEU 76 2HB LEU 76 -1.830 -2.369 -12.950 549 2HB LEU 76 1HB LEU 76 -0.491 -3.475 -12.648 550 HG LEU 76 HG LEU 76 -0.912 -1.792 -15.132 551 1HD1 LEU 76 1HD1 LEU 76 0.350 -0.279 -14.047 552 2HD1 LEU 76 2HD1 LEU 76 1.640 -1.472 -13.905 553 3HD1 LEU 76 3HD1 LEU 76 0.422 -1.335 -12.637 554 1HD2 LEU 76 1HD2 LEU 76 0.900 -4.095 -14.502 555 2HD2 LEU 76 2HD2 LEU 76 1.523 -2.783 -15.501 556 3HD2 LEU 76 3HD2 LEU 76 0.100 -3.688 -16.020 557 H VAL 77 H VAL 77 -4.008 -4.416 -12.734 558 HA VAL 77 HA VAL 77 -3.043 -6.690 -11.098 559 HB VAL 77 HB VAL 77 -5.467 -4.857 -11.099 560 1HG1 VAL 77 1HG1 VAL 77 -5.678 -6.097 -8.731 561 2HG1 VAL 77 2HG1 VAL 77 -4.931 -7.415 -9.633 562 3HG1 VAL 77 3HG1 VAL 77 -6.465 -6.734 -10.175 563 1HG2 VAL 77 1HG2 VAL 77 -4.475 -3.915 -9.152 564 2HG2 VAL 77 2HG2 VAL 77 -3.142 -4.111 -10.288 565 3HG2 VAL 77 3HG2 VAL 77 -3.353 -5.263 -8.969 566 H TYR 78 H TYR 78 -5.629 -5.918 -13.421 567 HA TYR 78 HA TYR 78 -6.867 -8.523 -13.298 568 1HB TYR 78 2HB TYR 78 -7.066 -6.000 -14.812 569 2HB TYR 78 1HB TYR 78 -7.600 -7.431 -15.697 570 HD1 TYR 78 HD1 TYR 78 -8.920 -4.892 -13.905 571 HD2 TYR 78 HD2 TYR 78 -8.744 -9.183 -13.765 572 HE1 TYR 78 HE1 TYR 78 -11.008 -4.935 -12.569 573 HE2 TYR 78 HE2 TYR 78 -10.833 -9.226 -12.429 574 HH TYR 78 HH TYR 78 -12.754 -6.356 -11.929 575 H CYS 79 H CYS 79 -4.125 -7.239 -15.029 576 HA CYS 79 HA CYS 79 -4.141 -9.354 -17.065 577 1HB CYS 79 2HB CYS 79 -2.397 -7.034 -16.263 578 2HB CYS 79 1HB CYS 79 -1.777 -8.242 -17.389 579 HG CYS 79 HG CYS 79 -3.532 -6.055 -18.232 580 H ALA 80 H ALA 80 -2.897 -8.885 -13.851 581 HA ALA 80 HA ALA 80 -0.794 -10.914 -14.059 582 1HB ALA 80 1HB ALA 80 -0.233 -9.502 -12.355 583 2HB ALA 80 2HB ALA 80 -1.318 -10.500 -11.389 584 3HB ALA 80 3HB ALA 80 -1.906 -9.002 -12.110 585 H LEU 81 H LEU 81 -4.172 -10.895 -13.686 586 HA LEU 81 HA LEU 81 -4.301 -13.425 -12.170 587 1HB LEU 81 2HB LEU 81 -6.235 -11.405 -13.281 588 2HB LEU 81 1HB LEU 81 -6.803 -12.955 -12.655 589 HG LEU 81 HG LEU 81 -4.906 -11.830 -10.814 590 1HD1 LEU 81 1HD1 LEU 81 -5.528 -9.669 -10.574 591 2HD1 LEU 81 2HD1 LEU 81 -7.239 -10.056 -10.763 592 3HD1 LEU 81 3HD1 LEU 81 -6.223 -9.826 -12.186 593 1HD2 LEU 81 1HD2 LEU 81 -7.626 -12.942 -10.913 594 2HD2 LEU 81 2HD2 LEU 81 -7.396 -11.747 -9.636 595 3HD2 LEU 81 3HD2 LEU 81 -6.359 -13.174 -9.708 596 H GLU 82 H GLU 82 -5.045 -12.205 -15.433 597 HA GLU 82 HA GLU 82 -5.239 -15.055 -16.339 598 1HB GLU 82 2HB GLU 82 -7.413 -14.342 -16.559 599 2HB GLU 82 1HB GLU 82 -6.951 -12.647 -16.677 600 1HG GLU 82 2HG GLU 82 -6.479 -12.801 -18.975 601 2HG GLU 82 1HG GLU 82 -6.320 -14.558 -18.919 602 H LYS 83 H LYS 83 -3.543 -12.096 -16.748 603 HA LYS 83 HA LYS 83 -2.746 -12.899 -19.527 604 1HB LYS 83 2HB LYS 83 -2.933 -10.323 -18.026 605 2HB LYS 83 1HB LYS 83 -1.821 -10.444 -19.382 606 1HG LYS 83 2HG LYS 83 -4.167 -11.638 -20.314 607 2HG LYS 83 1HG LYS 83 -4.725 -10.235 -19.403 608 1HD LYS 83 2HD LYS 83 -4.246 -9.048 -21.273 609 2HD LYS 83 1HD LYS 83 -2.560 -9.222 -20.783 610 1HE LYS 83 2HE LYS 83 -2.762 -11.553 -22.036 611 2HE LYS 83 1HE LYS 83 -4.078 -10.722 -22.891 612 1HZ LYS 83 1HZ LYS 83 -1.227 -9.990 -22.726 613 2HZ LYS 83 2HZ LYS 83 -2.397 -8.787 -22.994 614 3HZ LYS 83 3HZ LYS 83 -2.230 -10.072 -24.092 615 H GLU 84 H GLU 84 -0.853 -10.751 -17.499 616 HA GLU 84 HA GLU 84 1.198 -12.875 -17.068 617 1HB GLU 84 2HB GLU 84 1.211 -10.721 -19.045 618 2HB GLU 84 1HB GLU 84 2.630 -10.674 -17.999 619 1HG GLU 84 2HG GLU 84 3.122 -13.014 -18.501 620 2HG GLU 84 1HG GLU 84 1.659 -13.135 -19.479 621 HA PRO 85 HA PRO 85 2.185 -10.730 -13.385 622 1HB PRO 85 2HB PRO 85 4.921 -10.544 -13.413 623 2HB PRO 85 1HB PRO 85 4.054 -12.066 -13.121 624 1HG PRO 85 2HG PRO 85 5.297 -11.054 -15.638 625 2HG PRO 85 1HG PRO 85 5.329 -12.683 -14.943 626 1HD PRO 85 2HD PRO 85 3.680 -12.019 -16.975 627 2HD PRO 85 1HD PRO 85 3.221 -13.206 -15.731 628 H VAL 86 H VAL 86 3.974 -8.818 -12.669 629 HA VAL 86 HA VAL 86 3.606 -6.613 -14.674 630 HB VAL 86 HB VAL 86 3.277 -6.615 -11.655 631 1HG1 VAL 86 1HG1 VAL 86 3.370 -4.366 -11.707 632 2HG1 VAL 86 2HG1 VAL 86 2.246 -4.298 -13.064 633 3HG1 VAL 86 3HG1 VAL 86 3.973 -4.491 -13.359 634 1HG2 VAL 86 1HG2 VAL 86 1.496 -7.263 -13.799 635 2HG2 VAL 86 2HG2 VAL 86 0.969 -5.736 -13.090 636 3HG2 VAL 86 3HG2 VAL 86 1.137 -7.168 -12.074 637 HA PRO 87 HA PRO 87 7.923 -6.068 -13.777 638 1HB PRO 87 2HB PRO 87 8.330 -3.945 -15.453 639 2HB PRO 87 1HB PRO 87 8.161 -5.609 -16.043 640 1HG PRO 87 2HG PRO 87 6.265 -3.368 -16.181 641 2HG PRO 87 1HG PRO 87 6.400 -4.801 -17.206 642 1HD PRO 87 2HD PRO 87 4.539 -4.348 -15.121 643 2HD PRO 87 1HD PRO 87 4.780 -5.850 -16.037 644 H MET 88 H MET 88 9.294 -3.971 -13.119 645 HA MET 88 HA MET 88 7.534 -2.357 -11.305 646 1HB MET 88 2HB MET 88 10.526 -2.756 -11.252 647 2HB MET 88 1HB MET 88 9.517 -2.104 -9.964 648 1HG MET 88 2HG MET 88 8.758 -4.175 -9.322 649 2HG MET 88 1HG MET 88 8.799 -4.812 -10.966 650 1HE MET 88 1HE MET 88 11.952 -4.903 -12.064 651 2HE MET 88 2HE MET 88 10.346 -5.623 -12.136 652 3HE MET 88 3HE MET 88 11.704 -6.573 -11.535 653 H SER 89 H SER 89 8.472 -1.910 -14.294 654 HA SER 89 HA SER 89 9.728 0.757 -13.795 655 1HB SER 89 2HB SER 89 9.739 -1.104 -16.167 656 2HB SER 89 1HB SER 89 10.479 0.493 -16.161 657 HG SER 89 HG SER 89 11.906 -0.178 -14.622 658 H LEU 90 H LEU 90 7.976 2.086 -13.615 659 HA LEU 90 HA LEU 90 5.534 2.115 -14.976 660 1HB LEU 90 2HB LEU 90 7.061 3.798 -13.347 661 2HB LEU 90 1HB LEU 90 6.785 4.751 -14.805 662 HG LEU 90 HG LEU 90 4.662 3.373 -13.154 663 1HD1 LEU 90 1HD1 LEU 90 3.928 5.660 -12.632 664 2HD1 LEU 90 2HD1 LEU 90 5.240 6.314 -13.611 665 3HD1 LEU 90 3HD1 LEU 90 5.603 5.429 -12.129 666 1HD2 LEU 90 1HD2 LEU 90 3.763 5.318 -15.121 667 2HD2 LEU 90 2HD2 LEU 90 3.237 3.651 -14.881 668 3HD2 LEU 90 3HD2 LEU 90 4.647 3.995 -15.883 669 HA PRO 91 HA PRO 91 7.366 2.468 -19.099 670 1HB PRO 91 2HB PRO 91 5.099 1.678 -20.417 671 2HB PRO 91 1HB PRO 91 6.247 0.534 -19.695 672 1HG PRO 91 2HG PRO 91 3.634 1.500 -18.658 673 2HG PRO 91 1HG PRO 91 4.352 -0.115 -18.574 674 1HD PRO 91 2HD PRO 91 4.330 1.638 -16.484 675 2HD PRO 91 1HD PRO 91 5.574 0.388 -16.704 676 HA PRO 92 HA PRO 92 5.794 6.482 -19.984 677 1HB PRO 92 2HB PRO 92 6.588 6.700 -22.597 678 2HB PRO 92 1HB PRO 92 7.715 6.809 -21.229 679 1HG PRO 92 2HG PRO 92 7.144 4.505 -23.029 680 2HG PRO 92 1HG PRO 92 8.689 5.070 -22.373 681 1HD PRO 92 2HD PRO 92 7.340 2.945 -21.355 682 2HD PRO 92 1HD PRO 92 8.387 3.991 -20.370 683 H ALA 93 H ALA 93 4.742 3.646 -21.636 684 HA ALA 93 HA ALA 93 2.706 4.996 -23.280 685 1HB ALA 93 1HB ALA 93 2.359 2.146 -22.890 686 2HB ALA 93 2HB ALA 93 4.058 2.513 -23.192 687 3HB ALA 93 3HB ALA 93 2.827 3.007 -24.355 688 H LEU 94 H LEU 94 3.013 4.263 -20.030 689 HA LEU 94 HA LEU 94 0.104 3.703 -19.660 690 1HB LEU 94 2HB LEU 94 2.641 3.289 -18.095 691 2HB LEU 94 1HB LEU 94 1.091 3.299 -17.254 692 HG LEU 94 HG LEU 94 1.885 1.013 -18.023 693 1HD1 LEU 94 1HD1 LEU 94 -0.402 0.485 -19.073 694 2HD1 LEU 94 2HD1 LEU 94 -0.743 2.208 -18.910 695 3HD1 LEU 94 3HD1 LEU 94 -0.412 1.236 -17.479 696 1HD2 LEU 94 1HD2 LEU 94 1.766 0.475 -20.363 697 2HD2 LEU 94 2HD2 LEU 94 2.747 1.935 -20.236 698 3HD2 LEU 94 3HD2 LEU 94 1.067 2.046 -20.749 699 H VAL 95 H VAL 95 2.358 6.237 -19.571 700 HA VAL 95 HA VAL 95 1.336 7.744 -17.311 701 HB VAL 95 HB VAL 95 3.029 8.319 -19.747 702 1HG1 VAL 95 1HG1 VAL 95 3.433 10.405 -17.950 703 2HG1 VAL 95 2HG1 VAL 95 1.681 10.203 -17.962 704 3HG1 VAL 95 3HG1 VAL 95 2.544 10.511 -19.469 705 1HG2 VAL 95 1HG2 VAL 95 3.445 7.576 -16.907 706 2HG2 VAL 95 2HG2 VAL 95 4.536 8.811 -17.535 707 3HG2 VAL 95 3HG2 VAL 95 4.447 7.234 -18.317 708 HA PRO 96 HA PRO 96 -2.305 9.204 -19.411 709 1HB PRO 96 2HB PRO 96 -3.079 10.987 -17.479 710 2HB PRO 96 1HB PRO 96 -3.330 9.236 -17.335 711 1HG PRO 96 2HG PRO 96 -1.225 10.955 -16.118 712 2HG PRO 96 1HG PRO 96 -2.101 9.581 -15.426 713 1HD PRO 96 2HD PRO 96 0.443 9.404 -16.382 714 2HD PRO 96 1HD PRO 96 -0.694 8.037 -16.367 715 HA PRO 97 HA PRO 97 -1.155 13.033 -21.224 716 1HB PRO 97 2HB PRO 97 -3.464 14.503 -21.272 717 2HB PRO 97 1HB PRO 97 -3.188 13.096 -22.320 718 1HG PRO 97 2HG PRO 97 -4.760 13.300 -19.801 719 2HG PRO 97 1HG PRO 97 -5.105 12.387 -21.279 720 1HD PRO 97 2HD PRO 97 -4.102 11.254 -19.010 721 2HD PRO 97 1HD PRO 97 -3.813 10.610 -20.641 722 H SER 98 H SER 98 -2.626 13.191 -18.057 723 HA SER 98 HA SER 98 -2.219 15.990 -17.539 724 1HB SER 98 2HB SER 98 -3.648 14.916 -16.040 725 2HB SER 98 1HB SER 98 -2.645 13.469 -15.971 726 HG SER 98 HG SER 98 -1.924 16.006 -14.913 727 H LYS 99 H LYS 99 -0.034 13.355 -17.833 728 HA LYS 99 HA LYS 99 2.080 14.733 -16.253 729 1HB LYS 99 2HB LYS 99 1.331 12.067 -16.742 730 2HB LYS 99 1HB LYS 99 2.831 12.290 -17.644 731 1HG LYS 99 2HG LYS 99 3.307 13.588 -15.223 732 2HG LYS 99 1HG LYS 99 2.422 12.132 -14.761 733 1HD LYS 99 2HD LYS 99 4.040 10.704 -15.672 734 2HD LYS 99 1HD LYS 99 4.688 11.957 -16.732 735 1HE LYS 99 2HE LYS 99 5.031 13.005 -14.159 736 2HE LYS 99 1HE LYS 99 5.469 11.292 -14.005 737 1HZ LYS 99 1HZ LYS 99 6.636 11.699 -16.259 738 2HZ LYS 99 2HZ LYS 99 7.406 12.203 -14.831 739 3HZ LYS 99 3HZ LYS 99 6.595 13.333 -15.808 740 H ARG 100 H ARG 100 0.842 15.151 -19.215 741 HA ARG 100 HA ARG 100 3.001 14.864 -21.058 742 1HB ARG 100 2HB ARG 100 0.655 16.771 -20.837 743 2HB ARG 100 1HB ARG 100 1.688 16.682 -22.266 744 1HG ARG 100 2HG ARG 100 0.342 14.237 -21.107 745 2HG ARG 100 1HG ARG 100 -0.441 15.254 -22.318 746 1HD ARG 100 2HD ARG 100 0.726 14.203 -23.947 747 2HD ARG 100 1HD ARG 100 2.247 14.714 -23.186 748 HE ARG 100 HE ARG 100 1.723 12.691 -21.576 749 1HH1 ARG 100 1HH2 ARG 100 -0.445 12.201 -23.881 750 2HH1 ARG 100 2HH2 ARG 100 0.287 10.819 -24.627 751 1HH2 ARG 100 2HH1 ARG 100 3.320 11.213 -22.991 752 2HH2 ARG 100 1HH1 ARG 100 2.419 10.261 -24.124 753 H SER 107 1H SER 107 7.798 6.833 4.075 754 HA SER 107 HA SER 107 8.709 4.291 2.823 755 1HB SER 107 2HB SER 107 6.612 3.794 4.516 756 2HB SER 107 1HB SER 107 8.306 3.655 4.977 757 HG SER 107 HG SER 107 6.618 5.923 5.263 758 H THR 108 H THR 108 6.710 3.108 1.976 759 HA THR 108 HA THR 108 4.297 4.572 1.350 760 HB THR 108 HB THR 108 5.806 5.850 -0.049 761 HG1 THR 108 HG1 THR 108 3.826 5.256 -1.003 762 1HG2 THR 108 1HG2 THR 108 7.739 4.780 -0.553 763 2HG2 THR 108 2HG2 THR 108 6.854 4.159 -1.948 764 3HG2 THR 108 3HG2 THR 108 6.982 3.190 -0.480 765 H ASN 109 H ASN 109 3.524 3.341 -0.996 766 HA ASN 109 HA ASN 109 2.558 1.288 -1.679 767 1HB ASN 109 2HB ASN 109 5.073 1.316 -2.292 768 2HB ASN 109 1HB ASN 109 5.280 0.197 -0.944 769 1HD2 ASN 109 1HD2 ASN 109 2.565 0.394 -3.291 770 2HD2 ASN 109 2HD2 ASN 109 2.767 -1.177 -3.893 771 HA PRO 110 HA PRO 110 1.783 -0.139 2.602 772 1HB PRO 110 2HB PRO 110 -0.935 -0.259 2.310 773 2HB PRO 110 1HB PRO 110 -0.067 1.229 2.734 774 1HG PRO 110 2HG PRO 110 -1.183 0.368 0.123 775 2HG PRO 110 1HG PRO 110 -1.097 1.980 0.848 776 1HD PRO 110 2HD PRO 110 0.600 1.079 -1.110 777 2HD PRO 110 1HD PRO 110 0.987 2.378 0.034 778 H PHE 111 H PHE 111 2.171 -1.756 -0.113 779 HA PHE 111 HA PHE 111 0.461 -4.109 0.551 780 1HB PHE 111 2HB PHE 111 2.326 -3.638 -1.801 781 2HB PHE 111 1HB PHE 111 1.063 -4.861 -1.682 782 HD1 PHE 111 HD1 PHE 111 1.660 -1.182 -1.788 783 HD2 PHE 111 HD2 PHE 111 -1.204 -4.357 -2.285 784 HE1 PHE 111 HE1 PHE 111 0.022 0.432 -2.708 785 HE2 PHE 111 HE2 PHE 111 -2.833 -2.734 -3.187 786 HZ PHE 111 HZ PHE 111 -2.224 -0.341 -3.399 787 H ARG 112 HN ARG 112 3.831 -3.520 -0.459 788 HA ARG 112 HA ARG 112 4.909 -5.956 0.519 789 1HB ARG 112 2HB ARG 112 5.823 -3.307 -0.400 790 2HB ARG 112 1HB ARG 112 6.958 -4.127 0.676 791 1HG ARG 112 2HG ARG 112 6.772 -6.166 -0.767 792 2HG ARG 112 1HG ARG 112 5.770 -5.238 -1.884 793 1HD ARG 112 2HD ARG 112 8.534 -4.304 -1.062 794 2HD ARG 112 1HD ARG 112 8.259 -5.340 -2.477 795 HE ARG 112 HE ARG 112 6.387 -3.230 -2.639 796 1HH1 ARG 112 1HH2 ARG 112 9.585 -2.790 -1.771 797 2HH1 ARG 112 2HH2 ARG 112 10.016 -1.828 -3.146 798 1HH2 ARG 112 1HH1 ARG 112 7.024 -2.385 -4.809 799 2HH2 ARG 112 2HH1 ARG 112 8.565 -1.598 -4.865 Start of MODEL 2 1 HA PRO 6 HA PRO 6 -1.941 5.500 -27.425 2 1HB PRO 6 2HB PRO 6 -3.853 3.609 -26.927 3 2HB PRO 6 1HB PRO 6 -3.613 4.338 -28.527 4 1HG PRO 6 2HG PRO 6 -2.732 1.689 -27.504 5 2HG PRO 6 1HG PRO 6 -3.324 2.140 -29.110 6 1HD PRO 6 2HD PRO 6 -0.680 1.760 -28.503 7 2HD PRO 6 1HD PRO 6 -1.258 2.800 -29.823 8 H TRP 7 H TRP 7 -3.438 4.954 -25.273 9 HA TRP 7 HA TRP 7 -1.487 4.510 -23.130 10 1HB TRP 7 2HB TRP 7 -3.260 6.243 -23.087 11 2HB TRP 7 1HB TRP 7 -4.491 4.980 -23.138 12 HD1 TRP 7 HD1 TRP 7 -1.411 4.303 -21.087 13 HE1 TRP 7 HE1 TRP 7 -2.016 4.353 -18.584 14 HE3 TRP 7 HE3 TRP 7 -6.164 6.147 -21.367 15 HZ2 TRP 7 HZ2 TRP 7 -4.225 5.083 -16.916 16 HZ3 TRP 7 HZ3 TRP 7 -7.495 6.510 -19.308 17 HH2 TRP 7 HH2 TRP 7 -6.533 5.981 -17.086 18 H ALA 8 H ALA 8 -1.110 2.540 -22.213 19 HA ALA 8 HA ALA 8 -2.042 0.066 -22.994 20 1HB ALA 8 1HB ALA 8 -0.262 0.772 -21.279 21 2HB ALA 8 2HB ALA 8 -1.161 -0.699 -20.910 22 3HB ALA 8 3HB ALA 8 -1.574 0.814 -20.101 23 H VAL 9 H VAL 9 -3.726 2.394 -20.966 24 HA VAL 9 HA VAL 9 -5.858 0.420 -20.335 25 HB VAL 9 HB VAL 9 -5.181 3.238 -19.478 26 1HG1 VAL 9 1HG1 VAL 9 -7.674 2.873 -19.696 27 2HG1 VAL 9 2HG1 VAL 9 -7.128 3.234 -18.058 28 3HG1 VAL 9 3HG1 VAL 9 -7.520 1.576 -18.511 29 1HG2 VAL 9 1HG2 VAL 9 -4.537 0.602 -18.554 30 2HG2 VAL 9 2HG2 VAL 9 -5.556 1.382 -17.344 31 3HG2 VAL 9 3HG2 VAL 9 -4.055 2.150 -17.859 32 H LYS 10 H LYS 10 -7.976 0.661 -21.114 33 HA LYS 10 HA LYS 10 -8.325 2.637 -23.342 34 1HB LYS 10 2HB LYS 10 -8.781 -0.209 -22.967 35 2HB LYS 10 1HB LYS 10 -10.261 0.599 -23.480 36 1HG LYS 10 2HG LYS 10 -8.811 1.749 -25.269 37 2HG LYS 10 1HG LYS 10 -7.581 0.547 -24.874 38 1HD LYS 10 2HD LYS 10 -9.428 -1.210 -25.244 39 2HD LYS 10 1HD LYS 10 -10.340 0.090 -26.011 40 1HE LYS 10 2HE LYS 10 -7.674 0.170 -27.053 41 2HE LYS 10 1HE LYS 10 -8.271 -1.498 -27.176 42 1HZ LYS 10 1HZ LYS 10 -10.000 -0.892 -28.490 43 2HZ LYS 10 2HZ LYS 10 -8.932 0.353 -28.934 44 3HZ LYS 10 3HZ LYS 10 -10.155 0.644 -27.791 45 HA PRO 11 HA PRO 11 -11.861 4.398 -21.421 46 1HB PRO 11 2HB PRO 11 -13.960 4.012 -23.146 47 2HB PRO 11 1HB PRO 11 -12.658 5.183 -23.447 48 1HG PRO 11 2HG PRO 11 -13.013 2.424 -24.529 49 2HG PRO 11 1HG PRO 11 -12.482 3.899 -25.356 50 1HD PRO 11 2HD PRO 11 -10.744 2.006 -24.554 51 2HD PRO 11 1HD PRO 11 -10.323 3.732 -24.559 52 H GLU 12 H GLU 12 -12.492 1.145 -22.691 53 HA GLU 12 HA GLU 12 -14.749 0.587 -20.968 54 1HB GLU 12 2HB GLU 12 -14.243 -1.766 -21.726 55 2HB GLU 12 1HB GLU 12 -14.354 -0.613 -23.055 56 1HG GLU 12 2HG GLU 12 -12.015 -0.541 -23.351 57 2HG GLU 12 1HG GLU 12 -11.704 -1.222 -21.754 58 H ASP 13 H ASP 13 -11.257 0.264 -20.642 59 HA ASP 13 HA ASP 13 -11.457 -1.308 -18.163 60 1HB ASP 13 2HB ASP 13 -9.340 -0.154 -19.947 61 2HB ASP 13 1HB ASP 13 -8.891 -0.556 -18.288 62 H LYS 14 H LYS 14 -10.798 2.018 -19.174 63 HA LYS 14 HA LYS 14 -10.210 3.037 -16.536 64 1HB LYS 14 2HB LYS 14 -9.521 4.184 -18.570 65 2HB LYS 14 1HB LYS 14 -11.193 4.288 -19.117 66 1HG LYS 14 2HG LYS 14 -11.094 6.367 -18.184 67 2HG LYS 14 1HG LYS 14 -11.408 5.486 -16.691 68 1HD LYS 14 2HD LYS 14 -8.984 5.320 -16.269 69 2HD LYS 14 1HD LYS 14 -8.664 6.203 -17.763 70 1HE LYS 14 2HE LYS 14 -10.586 7.612 -16.063 71 2HE LYS 14 1HE LYS 14 -9.022 7.368 -15.257 72 1HZ LYS 14 1HZ LYS 14 -9.356 9.344 -16.924 73 2HZ LYS 14 2HZ LYS 14 -9.046 8.144 -18.086 74 3HZ LYS 14 3HZ LYS 14 -7.894 8.484 -16.886 75 H ALA 15 H ALA 15 -13.082 2.103 -18.185 76 HA ALA 15 HA ALA 15 -14.927 3.799 -16.670 77 1HB ALA 15 1HB ALA 15 -16.207 1.508 -17.764 78 2HB ALA 15 2HB ALA 15 -14.928 1.951 -18.894 79 3HB ALA 15 3HB ALA 15 -16.162 3.131 -18.452 80 H LYS 16 H LYS 16 -13.755 0.443 -16.536 81 HA LYS 16 HA LYS 16 -15.392 -0.182 -14.187 82 1HB LYS 16 2HB LYS 16 -14.580 -2.348 -14.533 83 2HB LYS 16 1HB LYS 16 -14.498 -1.672 -16.157 84 1HG LYS 16 2HG LYS 16 -12.107 -0.958 -15.507 85 2HG LYS 16 1HG LYS 16 -12.266 -2.130 -14.203 86 1HD LYS 16 2HD LYS 16 -12.705 -2.742 -17.142 87 2HD LYS 16 1HD LYS 16 -11.233 -3.125 -16.250 88 1HE LYS 16 2HE LYS 16 -14.018 -4.229 -15.752 89 2HE LYS 16 1HE LYS 16 -12.564 -5.132 -16.223 90 1HZ LYS 16 1HZ LYS 16 -12.440 -5.392 -13.977 91 2HZ LYS 16 2HZ LYS 16 -13.254 -3.939 -13.640 92 3HZ LYS 16 3HZ LYS 16 -11.619 -3.912 -14.104 93 H TYR 17 H TYR 17 -12.270 1.123 -14.906 94 HA TYR 17 HA TYR 17 -11.057 0.605 -12.296 95 1HB TYR 17 2HB TYR 17 -10.453 2.523 -14.577 96 2HB TYR 17 1HB TYR 17 -9.391 2.267 -13.195 97 HD1 TYR 17 HD1 TYR 17 -10.994 -0.785 -13.799 98 HD2 TYR 17 HD2 TYR 17 -7.921 1.750 -15.400 99 HE1 TYR 17 HE1 TYR 17 -9.980 -2.735 -14.941 100 HE2 TYR 17 HE2 TYR 17 -6.899 -0.200 -16.541 101 HH TYR 17 HH TYR 17 -8.031 -2.625 -17.387 102 H ASP 18 H ASP 18 -12.870 3.203 -13.868 103 HA ASP 18 HA ASP 18 -12.490 5.149 -11.734 104 1HB ASP 18 2HB ASP 18 -13.982 4.824 -14.275 105 2HB ASP 18 1HB ASP 18 -14.732 5.912 -13.106 106 H ALA 19 H ALA 19 -14.610 2.431 -12.190 107 HA ALA 19 HA ALA 19 -16.651 3.405 -10.300 108 1HB ALA 19 1HB ALA 19 -17.341 1.971 -12.118 109 2HB ALA 19 2HB ALA 19 -17.450 0.996 -10.653 110 3HB ALA 19 3HB ALA 19 -16.081 0.795 -11.746 111 H ILE 20 H ILE 20 -13.827 1.291 -10.349 112 HA ILE 20 HA ILE 20 -14.204 0.298 -7.633 113 HB ILE 20 HB ILE 20 -11.967 0.311 -9.684 114 1HG1 ILE 20 2HG1 ILE 20 -13.354 -2.133 -8.646 115 2HG1 ILE 20 1HG1 ILE 20 -14.215 -1.107 -9.794 116 1HG2 ILE 20 1HG2 ILE 20 -11.902 -1.497 -7.313 117 2HG2 ILE 20 2HG2 ILE 20 -11.410 0.179 -7.077 118 3HG2 ILE 20 3HG2 ILE 20 -10.570 -0.830 -8.254 119 1HD1 ILE 20 1HD1 ILE 20 -11.629 -2.604 -10.181 120 2HD1 ILE 20 2HD1 ILE 20 -12.023 -1.213 -11.191 121 3HD1 ILE 20 3HD1 ILE 20 -13.077 -2.627 -11.187 122 H PHE 21 H PHE 21 -12.560 2.905 -9.302 123 HA PHE 21 HA PHE 21 -10.933 3.796 -7.089 124 1HB PHE 21 2HB PHE 21 -10.134 4.551 -9.117 125 2HB PHE 21 1HB PHE 21 -11.745 4.662 -9.818 126 HD1 PHE 21 HD1 PHE 21 -9.086 6.439 -8.093 127 HD2 PHE 21 HD2 PHE 21 -13.225 6.607 -9.230 128 HE1 PHE 21 HE1 PHE 21 -9.099 8.886 -7.684 129 HE2 PHE 21 HE2 PHE 21 -13.238 9.053 -8.820 130 HZ PHE 21 HZ PHE 21 -11.175 10.191 -8.048 131 H ASP 22 H ASP 22 -14.119 4.637 -8.358 132 HA ASP 22 HA ASP 22 -14.561 6.673 -6.262 133 1HB ASP 22 2HB ASP 22 -15.300 7.140 -8.506 134 2HB ASP 22 1HB ASP 22 -16.145 5.592 -8.609 135 H SER 23 H SER 23 -14.864 3.328 -6.562 136 HA SER 23 HA SER 23 -17.347 2.975 -5.050 137 1HB SER 23 2HB SER 23 -16.826 1.187 -6.473 138 2HB SER 23 1HB SER 23 -15.101 1.293 -6.132 139 HG SER 23 HG SER 23 -16.796 -0.350 -5.058 140 H LEU 24 H LEU 24 -14.215 3.934 -4.313 141 HA LEU 24 HA LEU 24 -14.233 2.812 -1.555 142 1HB LEU 24 2HB LEU 24 -12.124 4.484 -2.939 143 2HB LEU 24 1HB LEU 24 -11.898 3.354 -1.605 144 HG LEU 24 HG LEU 24 -12.881 2.457 -4.316 145 1HD1 LEU 24 1HD1 LEU 24 -10.150 1.749 -3.898 146 2HD1 LEU 24 2HD1 LEU 24 -10.295 3.491 -3.662 147 3HD1 LEU 24 3HD1 LEU 24 -10.826 2.758 -5.177 148 1HD2 LEU 24 1HD2 LEU 24 -11.205 0.759 -2.571 149 2HD2 LEU 24 2HD2 LEU 24 -12.670 0.347 -3.464 150 3HD2 LEU 24 3HD2 LEU 24 -12.786 1.169 -1.907 151 H SER 25 H SER 25 -13.618 5.836 -3.277 152 HA SER 25 HA SER 25 -15.170 7.800 -2.436 153 1HB SER 25 2HB SER 25 -13.711 6.784 -0.002 154 2HB SER 25 1HB SER 25 -14.170 8.479 -0.103 155 HG SER 25 HG SER 25 -15.682 6.534 0.666 156 HA PRO 26 HA PRO 26 -11.209 9.264 -4.054 157 1HB PRO 26 2HB PRO 26 -12.310 11.107 -5.740 158 2HB PRO 26 1HB PRO 26 -12.170 9.386 -6.149 159 1HG PRO 26 2HG PRO 26 -14.531 10.914 -5.201 160 2HG PRO 26 1HG PRO 26 -14.437 9.606 -6.390 161 1HD PRO 26 2HD PRO 26 -15.284 9.271 -3.802 162 2HD PRO 26 1HD PRO 26 -14.573 7.975 -4.789 163 H VAL 27 H VAL 27 -10.079 11.163 -3.552 164 HA VAL 27 HA VAL 27 -11.571 13.196 -1.926 165 HB VAL 27 HB VAL 27 -8.722 12.166 -1.695 166 1HG1 VAL 27 1HG1 VAL 27 -8.586 13.509 0.314 167 2HG1 VAL 27 2HG1 VAL 27 -10.283 13.971 0.174 168 3HG1 VAL 27 3HG1 VAL 27 -9.108 14.559 -1.002 169 1HG2 VAL 27 1HG2 VAL 27 -11.285 11.570 -0.214 170 2HG2 VAL 27 2HG2 VAL 27 -9.714 11.327 0.548 171 3HG2 VAL 27 3HG2 VAL 27 -10.133 10.433 -0.913 172 H ASN 28 H ASN 28 -11.842 14.753 -3.561 173 HA ASN 28 HA ASN 28 -11.196 16.509 -4.998 174 1HB ASN 28 2HB ASN 28 -9.787 16.981 -2.984 175 2HB ASN 28 1HB ASN 28 -8.506 15.991 -3.686 176 1HD2 ASN 28 1HD2 ASN 28 -7.512 16.775 -5.724 177 2HD2 ASN 28 2HD2 ASN 28 -7.589 18.422 -6.128 178 H GLY 29 H GLY 29 -10.588 13.445 -5.521 179 1HA GLY 29 2HA GLY 29 -10.229 12.674 -7.824 180 2HA GLY 29 1HA GLY 29 -9.056 13.975 -8.026 181 H PHE 30 H PHE 30 -9.191 11.897 -5.171 182 HA PHE 30 HA PHE 30 -6.823 10.375 -6.141 183 1HB PHE 30 2HB PHE 30 -6.920 12.197 -3.724 184 2HB PHE 30 1HB PHE 30 -5.619 11.039 -4.024 185 HD1 PHE 30 HD1 PHE 30 -6.911 14.303 -4.755 186 HD2 PHE 30 HD2 PHE 30 -4.391 11.178 -6.269 187 HE1 PHE 30 HE1 PHE 30 -5.847 15.917 -6.295 188 HE2 PHE 30 HE2 PHE 30 -3.315 12.798 -7.816 189 HZ PHE 30 HZ PHE 30 -4.043 15.169 -7.829 190 H LEU 31 H LEU 31 -6.410 8.472 -4.973 191 HA LEU 31 HA LEU 31 -8.490 7.673 -2.954 192 1HB LEU 31 2HB LEU 31 -7.228 6.278 -5.300 193 2HB LEU 31 1HB LEU 31 -7.686 5.309 -3.903 194 HG LEU 31 HG LEU 31 -9.464 6.944 -5.710 195 1HD1 LEU 31 1HD1 LEU 31 -10.693 4.611 -5.303 196 2HD1 LEU 31 2HD1 LEU 31 -9.049 4.094 -4.922 197 3HD1 LEU 31 3HD1 LEU 31 -9.420 4.780 -6.509 198 1HD2 LEU 31 1HD2 LEU 31 -11.286 6.227 -4.034 199 2HD2 LEU 31 2HD2 LEU 31 -10.259 7.579 -3.549 200 3HD2 LEU 31 3HD2 LEU 31 -9.968 5.969 -2.890 201 H SER 32 H SER 32 -7.620 6.687 -1.068 202 HA SER 32 HA SER 32 -4.711 7.036 -0.731 203 1HB SER 32 2HB SER 32 -5.251 6.665 1.625 204 2HB SER 32 1HB SER 32 -6.422 7.788 0.938 205 HG SER 32 HG SER 32 -7.882 6.106 0.759 206 H GLY 33 H GLY 33 -3.251 5.353 -0.449 207 1HA GLY 33 2HA GLY 33 -3.626 2.865 -1.636 208 2HA GLY 33 1HA GLY 33 -2.501 3.109 -0.297 209 H ASP 34 H ASP 34 -4.779 3.983 1.444 210 HA ASP 34 HA ASP 34 -5.395 1.461 2.669 211 1HB ASP 34 2HB ASP 34 -5.357 3.415 4.015 212 2HB ASP 34 1HB ASP 34 -6.389 4.305 2.896 213 H LYS 35 H LYS 35 -6.928 3.281 0.097 214 HA LYS 35 HA LYS 35 -9.420 1.669 0.309 215 1HB LYS 35 2HB LYS 35 -8.495 4.094 -1.255 216 2HB LYS 35 1HB LYS 35 -10.030 3.292 -1.598 217 1HG LYS 35 2HG LYS 35 -10.491 3.538 0.941 218 2HG LYS 35 1HG LYS 35 -9.180 4.718 0.920 219 1HD LYS 35 2HD LYS 35 -10.683 5.483 -1.258 220 2HD LYS 35 1HD LYS 35 -11.920 4.946 -0.122 221 1HE LYS 35 2HE LYS 35 -11.701 6.951 0.918 222 2HE LYS 35 1HE LYS 35 -10.078 6.436 1.419 223 1HZ LYS 35 1HZ LYS 35 -9.583 8.270 0.154 224 2HZ LYS 35 2HZ LYS 35 -10.878 8.030 -0.919 225 3HZ LYS 35 3HZ LYS 35 -9.492 7.053 -1.023 226 H VAL 36 H VAL 36 -6.614 2.327 -1.717 227 HA VAL 36 HA VAL 36 -7.421 0.530 -3.882 228 HB VAL 36 HB VAL 36 -4.803 1.800 -3.059 229 1HG1 VAL 36 1HG1 VAL 36 -5.178 -0.279 -4.830 230 2HG1 VAL 36 2HG1 VAL 36 -3.810 0.833 -4.835 231 3HG1 VAL 36 3HG1 VAL 36 -5.199 1.139 -5.881 232 1HG2 VAL 36 1HG2 VAL 36 -7.126 3.004 -3.932 233 2HG2 VAL 36 2HG2 VAL 36 -6.223 2.786 -5.434 234 3HG2 VAL 36 3HG2 VAL 36 -5.509 3.688 -4.096 235 H LYS 37 H LYS 37 -5.157 0.388 -1.139 236 HA LYS 37 HA LYS 37 -3.782 -1.940 -1.518 237 1HB LYS 37 2HB LYS 37 -3.432 -0.729 0.471 238 2HB LYS 37 1HB LYS 37 -5.143 -0.747 0.891 239 1HG LYS 37 2HG LYS 37 -4.969 -2.745 1.945 240 2HG LYS 37 1HG LYS 37 -4.004 -3.437 0.640 241 1HD LYS 37 2HD LYS 37 -1.987 -2.420 1.499 242 2HD LYS 37 1HD LYS 37 -2.902 -1.504 2.698 243 1HE LYS 37 2HE LYS 37 -2.914 -4.538 2.613 244 2HE LYS 37 1HE LYS 37 -1.777 -3.602 3.605 245 1HZ LYS 37 1HZ LYS 37 -3.692 -2.414 4.550 246 2HZ LYS 37 2HZ LYS 37 -3.748 -4.078 4.887 247 3HZ LYS 37 3HZ LYS 37 -4.743 -3.418 3.678 248 HA PRO 38 HA PRO 38 -7.439 -4.684 -0.030 249 1HB PRO 38 2HB PRO 38 -9.923 -3.524 0.013 250 2HB PRO 38 1HB PRO 38 -8.845 -3.559 1.424 251 1HG PRO 38 2HG PRO 38 -9.340 -1.360 -0.527 252 2HG PRO 38 1HG PRO 38 -9.157 -1.284 1.234 253 1HD PRO 38 2HD PRO 38 -7.164 -0.614 -0.455 254 2HD PRO 38 1HD PRO 38 -6.862 -1.352 1.134 255 H VAL 39 H VAL 39 -8.160 -2.143 -2.382 256 HA VAL 39 HA VAL 39 -9.871 -3.649 -4.114 257 HB VAL 39 HB VAL 39 -8.113 -1.220 -4.227 258 1HG1 VAL 39 1HG1 VAL 39 -9.547 -1.348 -6.675 259 2HG1 VAL 39 2HG1 VAL 39 -8.642 -2.848 -6.544 260 3HG1 VAL 39 3HG1 VAL 39 -7.800 -1.301 -6.451 261 1HG2 VAL 39 1HG2 VAL 39 -10.115 -0.090 -4.212 262 2HG2 VAL 39 2HG2 VAL 39 -10.657 -1.587 -3.454 263 3HG2 VAL 39 3HG2 VAL 39 -10.936 -1.318 -5.175 264 H LEU 40 H LEU 40 -6.373 -3.428 -3.756 265 HA LEU 40 HA LEU 40 -5.857 -5.026 -6.183 266 1HB LEU 40 2HB LEU 40 -4.049 -4.015 -3.963 267 2HB LEU 40 1HB LEU 40 -3.540 -4.557 -5.566 268 HG LEU 40 HG LEU 40 -5.500 -2.296 -5.154 269 1HD1 LEU 40 1HD1 LEU 40 -3.331 -0.993 -5.943 270 2HD1 LEU 40 2HD1 LEU 40 -2.513 -2.335 -5.140 271 3HD1 LEU 40 3HD1 LEU 40 -3.636 -1.317 -4.239 272 1HD2 LEU 40 1HD2 LEU 40 -5.243 -3.677 -7.333 273 2HD2 LEU 40 2HD2 LEU 40 -3.710 -2.821 -7.508 274 3HD2 LEU 40 3HD2 LEU 40 -5.225 -1.918 -7.448 275 H LEU 41 H LEU 41 -6.126 -5.458 -2.719 276 HA LEU 41 HA LEU 41 -4.793 -8.032 -2.599 277 1HB LEU 41 2HB LEU 41 -6.700 -6.466 -0.849 278 2HB LEU 41 1HB LEU 41 -6.075 -8.046 -0.374 279 HG LEU 41 HG LEU 41 -4.246 -5.801 -1.221 280 1HD1 LEU 41 1HD1 LEU 41 -3.912 -5.634 1.357 281 2HD1 LEU 41 2HD1 LEU 41 -5.505 -6.383 1.453 282 3HD1 LEU 41 3HD1 LEU 41 -5.310 -4.829 0.642 283 1HD2 LEU 41 1HD2 LEU 41 -2.962 -7.384 0.616 284 2HD2 LEU 41 2HD2 LEU 41 -2.864 -7.614 -1.131 285 3HD2 LEU 41 3HD2 LEU 41 -4.014 -8.556 -0.181 286 H ASN 42 H ASN 42 -7.789 -6.950 -3.813 287 HA ASN 42 HA ASN 42 -9.208 -9.470 -3.262 288 1HB ASN 42 2HB ASN 42 -9.797 -6.766 -4.393 289 2HB ASN 42 1HB ASN 42 -10.875 -8.091 -4.834 290 1HD2 ASN 42 1HD2 ASN 42 -11.905 -6.020 -3.238 291 2HD2 ASN 42 2HD2 ASN 42 -12.162 -6.592 -1.660 292 H SER 43 H SER 43 -6.960 -8.457 -5.520 293 HA SER 43 HA SER 43 -8.134 -9.736 -7.895 294 1HB SER 43 2HB SER 43 -6.040 -9.006 -8.912 295 2HB SER 43 1HB SER 43 -6.660 -7.707 -7.897 296 HG SER 43 HG SER 43 -5.219 -8.354 -6.284 297 H LYS 44 H LYS 44 -7.206 -11.130 -5.184 298 HA LYS 44 HA LYS 44 -6.348 -13.255 -4.628 299 1HB LYS 44 2HB LYS 44 -7.320 -13.312 -7.400 300 2HB LYS 44 1HB LYS 44 -6.104 -14.547 -7.068 301 1HG LYS 44 2HG LYS 44 -7.533 -14.921 -4.875 302 2HG LYS 44 1HG LYS 44 -8.813 -14.180 -5.836 303 1HD LYS 44 2HD LYS 44 -9.091 -16.418 -6.398 304 2HD LYS 44 1HD LYS 44 -7.997 -15.890 -7.677 305 1HE LYS 44 2HE LYS 44 -6.296 -17.196 -6.904 306 2HE LYS 44 1HE LYS 44 -6.617 -16.757 -5.214 307 1HZ LYS 44 1HZ LYS 44 -7.874 -18.846 -6.858 308 2HZ LYS 44 2HZ LYS 44 -8.783 -18.111 -5.626 309 3HZ LYS 44 3HZ LYS 44 -7.339 -18.925 -5.252 310 H LEU 45 H LEU 45 -4.612 -10.928 -5.926 311 HA LEU 45 HA LEU 45 -2.218 -12.548 -6.674 312 1HB LEU 45 2HB LEU 45 -3.191 -9.731 -7.032 313 2HB LEU 45 1HB LEU 45 -1.459 -10.056 -7.130 314 HG LEU 45 HG LEU 45 -3.547 -11.567 -8.719 315 1HD1 LEU 45 1HD1 LEU 45 -3.461 -9.177 -9.370 316 2HD1 LEU 45 2HD1 LEU 45 -2.808 -10.217 -10.635 317 3HD1 LEU 45 3HD1 LEU 45 -1.716 -9.309 -9.589 318 1HD2 LEU 45 1HD2 LEU 45 -1.795 -12.746 -9.621 319 2HD2 LEU 45 2HD2 LEU 45 -1.032 -12.347 -8.080 320 3HD2 LEU 45 3HD2 LEU 45 -0.688 -11.379 -9.515 321 HA PRO 46 HA PRO 46 -0.344 -11.746 -2.802 322 1HB PRO 46 2HB PRO 46 2.297 -11.726 -3.519 323 2HB PRO 46 1HB PRO 46 1.325 -13.208 -3.455 324 1HG PRO 46 2HG PRO 46 2.158 -11.596 -5.797 325 2HG PRO 46 1HG PRO 46 1.968 -13.347 -5.638 326 1HD PRO 46 2HD PRO 46 0.143 -11.685 -6.848 327 2HD PRO 46 1HD PRO 46 -0.244 -13.278 -6.167 328 H VAL 47 H VAL 47 1.252 -10.118 -1.754 329 HA VAL 47 HA VAL 47 0.556 -7.438 -2.544 330 HB VAL 47 HB VAL 47 1.913 -8.924 -0.419 331 1HG1 VAL 47 1HG1 VAL 47 3.338 -7.126 0.399 332 2HG1 VAL 47 2HG1 VAL 47 2.907 -6.120 -0.985 333 3HG1 VAL 47 3HG1 VAL 47 3.853 -7.586 -1.223 334 1HG2 VAL 47 1HG2 VAL 47 -0.144 -6.978 -0.799 335 2HG2 VAL 47 2HG2 VAL 47 0.996 -6.356 0.396 336 3HG2 VAL 47 3HG2 VAL 47 0.219 -7.920 0.646 337 H ASP 48 H ASP 48 2.814 -9.624 -3.764 338 HA ASP 48 HA ASP 48 4.998 -7.792 -4.310 339 1HB ASP 48 2HB ASP 48 4.205 -10.439 -5.574 340 2HB ASP 48 1HB ASP 48 5.799 -9.687 -5.665 341 H ILE 49 H ILE 49 2.048 -8.840 -5.893 342 HA ILE 49 HA ILE 49 2.693 -7.516 -8.430 343 HB ILE 49 HB ILE 49 -0.014 -8.462 -7.478 344 1HG1 ILE 49 2HG1 ILE 49 1.472 -10.280 -6.905 345 2HG1 ILE 49 1HG1 ILE 49 0.659 -10.715 -8.408 346 1HG2 ILE 49 1HG2 ILE 49 -0.393 -7.731 -9.596 347 2HG2 ILE 49 2HG2 ILE 49 0.336 -9.268 -10.065 348 3HG2 ILE 49 3HG2 ILE 49 1.315 -7.800 -10.028 349 1HD1 ILE 49 1HD1 ILE 49 3.506 -10.010 -7.928 350 2HD1 ILE 49 2HD1 ILE 49 2.787 -9.439 -9.436 351 3HD1 ILE 49 3HD1 ILE 49 2.805 -11.164 -9.065 352 H LEU 50 H LEU 50 0.655 -7.019 -5.605 353 HA LEU 50 HA LEU 50 -0.483 -4.500 -6.531 354 1HB LEU 50 2HB LEU 50 -0.248 -5.545 -3.710 355 2HB LEU 50 1HB LEU 50 -1.524 -4.538 -4.390 356 HG LEU 50 HG LEU 50 -0.973 -7.452 -5.010 357 1HD1 LEU 50 1HD1 LEU 50 -3.294 -7.707 -4.144 358 2HD1 LEU 50 2HD1 LEU 50 -3.302 -5.988 -3.747 359 3HD1 LEU 50 3HD1 LEU 50 -2.181 -7.076 -2.929 360 1HD2 LEU 50 1HD2 LEU 50 -3.398 -6.554 -6.182 361 2HD2 LEU 50 2HD2 LEU 50 -1.947 -7.110 -7.015 362 3HD2 LEU 50 3HD2 LEU 50 -2.153 -5.398 -6.650 363 H GLY 51 H GLY 51 2.318 -5.569 -4.739 364 1HA GLY 51 2HA GLY 51 2.956 -2.979 -3.585 365 2HA GLY 51 1HA GLY 51 4.056 -4.359 -3.693 366 H ARG 52 H ARG 52 3.539 -4.651 -6.564 367 HA ARG 52 HA ARG 52 5.377 -2.513 -7.519 368 1HB ARG 52 2HB ARG 52 5.914 -4.955 -7.711 369 2HB ARG 52 1HB ARG 52 4.517 -5.129 -8.773 370 1HG ARG 52 2HG ARG 52 5.476 -3.766 -10.450 371 2HG ARG 52 1HG ARG 52 6.681 -3.108 -9.341 372 1HD ARG 52 2HD ARG 52 6.551 -5.967 -10.356 373 2HD ARG 52 1HD ARG 52 7.780 -4.755 -10.760 374 HE ARG 52 HE ARG 52 8.065 -4.715 -8.125 375 1HH1 ARG 52 1HH2 ARG 52 9.494 -6.767 -10.006 376 2HH1 ARG 52 2HH2 ARG 52 9.334 -8.202 -9.049 377 1HH2 ARG 52 2HH1 ARG 52 6.944 -6.840 -6.935 378 2HH2 ARG 52 1HH1 ARG 52 7.889 -8.243 -7.310 379 H VAL 53 H VAL 53 2.138 -3.870 -7.988 380 HA VAL 53 HA VAL 53 1.654 -2.472 -10.499 381 HB VAL 53 HB VAL 53 -0.030 -3.832 -8.390 382 1HG1 VAL 53 1HG1 VAL 53 -1.886 -2.789 -9.124 383 2HG1 VAL 53 2HG1 VAL 53 -1.536 -3.319 -10.768 384 3HG1 VAL 53 3HG1 VAL 53 -0.904 -1.784 -10.187 385 1HG2 VAL 53 1HG2 VAL 53 -0.145 -4.625 -11.235 386 2HG2 VAL 53 2HG2 VAL 53 0.079 -5.625 -9.795 387 3HG2 VAL 53 3HG2 VAL 53 1.455 -4.781 -10.505 388 H TRP 54 H TRP 54 1.167 -1.782 -7.061 389 HA TRP 54 HA TRP 54 -0.347 0.642 -7.410 390 1HB TRP 54 2HB TRP 54 -0.350 -0.279 -5.234 391 2HB TRP 54 1HB TRP 54 1.395 -0.559 -5.258 392 HD1 TRP 54 HD1 TRP 54 2.974 1.651 -5.157 393 HE1 TRP 54 HE1 TRP 54 2.595 3.920 -4.041 394 HE3 TRP 54 HE3 TRP 54 -2.079 1.436 -4.451 395 HZ2 TRP 54 HZ2 TRP 54 0.427 5.454 -2.945 396 HZ3 TRP 54 HZ3 TRP 54 -3.276 3.320 -3.360 397 HH2 TRP 54 HH2 TRP 54 -2.031 5.319 -2.612 398 H GLU 55 H GLU 55 3.143 0.058 -6.815 399 HA GLU 55 HA GLU 55 4.067 2.697 -6.888 400 1HB GLU 55 2HB GLU 55 5.215 0.079 -7.844 401 2HB GLU 55 1HB GLU 55 6.164 1.565 -7.807 402 1HG GLU 55 2HG GLU 55 4.794 1.301 -5.310 403 2HG GLU 55 1HG GLU 55 5.632 -0.213 -5.652 404 H LEU 56 H LEU 56 4.051 0.500 -9.721 405 HA LEU 56 HA LEU 56 4.568 2.571 -11.637 406 1HB LEU 56 2HB LEU 56 3.112 -0.086 -11.891 407 2HB LEU 56 1HB LEU 56 3.752 0.849 -13.242 408 HG LEU 56 HG LEU 56 5.712 0.354 -11.099 409 1HD1 LEU 56 1HD1 LEU 56 5.229 -2.014 -12.828 410 2HD1 LEU 56 2HD1 LEU 56 4.091 -1.769 -11.505 411 3HD1 LEU 56 3HD1 LEU 56 5.814 -1.937 -11.165 412 1HD2 LEU 56 1HD2 LEU 56 7.133 0.571 -12.866 413 2HD2 LEU 56 2HD2 LEU 56 5.711 1.060 -13.783 414 3HD2 LEU 56 3HD2 LEU 56 6.247 -0.618 -13.821 415 H SER 57 H SER 57 1.796 1.761 -9.790 416 HA SER 57 HA SER 57 -0.153 3.064 -11.609 417 1HB SER 57 2HB SER 57 -0.937 1.109 -10.511 418 2HB SER 57 1HB SER 57 -0.221 1.592 -8.977 419 HG SER 57 HG SER 57 -2.270 3.040 -10.301 420 H ASP 58 H ASP 58 1.895 3.782 -8.916 421 HA ASP 58 HA ASP 58 0.328 6.123 -8.026 422 1HB ASP 58 2HB ASP 58 1.900 4.309 -6.772 423 2HB ASP 58 1HB ASP 58 3.083 5.586 -7.057 424 H ILE 59 H ILE 59 0.544 7.289 -10.113 425 HA ILE 59 HA ILE 59 3.043 8.043 -11.273 426 HB ILE 59 HB ILE 59 0.401 9.541 -11.190 427 1HG1 ILE 59 2HG1 ILE 59 0.340 7.056 -11.891 428 2HG1 ILE 59 1HG1 ILE 59 -0.331 8.218 -13.030 429 1HG2 ILE 59 1HG2 ILE 59 1.154 10.366 -13.415 430 2HG2 ILE 59 2HG2 ILE 59 2.691 9.535 -13.176 431 3HG2 ILE 59 3HG2 ILE 59 2.233 10.864 -12.113 432 1HD1 ILE 59 1HD1 ILE 59 1.822 8.227 -14.259 433 2HD1 ILE 59 2HD1 ILE 59 1.108 6.613 -14.196 434 3HD1 ILE 59 3HD1 ILE 59 2.455 7.026 -13.130 435 H ASP 60 H ASP 60 1.296 9.171 -8.472 436 HA ASP 60 HA ASP 60 3.103 11.537 -8.202 437 1HB ASP 60 2HB ASP 60 0.761 10.857 -6.433 438 2HB ASP 60 1HB ASP 60 1.408 12.443 -6.837 439 H HIS 61 H HIS 61 2.759 8.334 -7.170 440 HA HIS 61 HA HIS 61 3.537 7.137 -5.278 441 1HB HIS 61 2HB HIS 61 5.975 7.677 -4.954 442 2HB HIS 61 1HB HIS 61 5.515 7.475 -6.643 443 HD1 HIS 61 HD1 HIS 61 5.948 10.298 -4.112 444 HD2 HIS 61 HD2 HIS 61 6.188 9.641 -8.222 445 HE1 HIS 61 HE1 HIS 61 6.779 12.460 -5.136 446 H ASP 62 H ASP 62 1.758 8.950 -4.286 447 HA ASP 62 HA ASP 62 3.169 10.147 -1.924 448 1HB ASP 62 2HB ASP 62 1.364 11.816 -1.953 449 2HB ASP 62 1HB ASP 62 2.126 11.751 -3.542 450 H GLY 63 H GLY 63 1.841 7.419 -2.563 451 1HA GLY 63 2HA GLY 63 0.763 5.849 -1.166 452 2HA GLY 63 1HA GLY 63 0.524 7.130 0.025 453 H MET 64 H MET 64 -0.456 7.506 -3.333 454 HA MET 64 HA MET 64 -3.289 6.944 -2.639 455 1HB MET 64 2HB MET 64 -2.100 9.621 -3.367 456 2HB MET 64 1HB MET 64 -3.816 9.280 -3.556 457 1HG MET 64 2HG MET 64 -4.084 8.878 -1.217 458 2HG MET 64 1HG MET 64 -2.337 8.888 -0.955 459 1HE MET 64 1HE MET 64 -4.961 11.176 0.361 460 2HE MET 64 2HE MET 64 -5.469 10.351 -1.110 461 3HE MET 64 3HE MET 64 -5.366 12.111 -1.085 462 H LEU 65 H LEU 65 -4.687 6.992 -4.578 463 HA LEU 65 HA LEU 65 -3.182 6.779 -7.167 464 1HB LEU 65 2HB LEU 65 -5.169 4.954 -5.821 465 2HB LEU 65 1HB LEU 65 -5.030 4.955 -7.579 466 HG LEU 65 HG LEU 65 -2.821 4.393 -5.583 467 1HD1 LEU 65 1HD1 LEU 65 -3.311 2.228 -5.936 468 2HD1 LEU 65 2HD1 LEU 65 -3.230 2.451 -7.684 469 3HD1 LEU 65 3HD1 LEU 65 -4.744 2.742 -6.826 470 1HD2 LEU 65 1HD2 LEU 65 -2.797 5.007 -8.522 471 2HD2 LEU 65 2HD2 LEU 65 -1.636 3.845 -7.881 472 3HD2 LEU 65 3HD2 LEU 65 -1.655 5.498 -7.272 473 H ASP 66 H ASP 66 -3.937 8.506 -8.362 474 HA ASP 66 HA ASP 66 -6.481 9.790 -7.919 475 1HB ASP 66 2HB ASP 66 -4.230 10.598 -8.954 476 2HB ASP 66 1HB ASP 66 -4.868 9.920 -10.451 477 H ARG 67 H ARG 67 -8.118 10.001 -9.743 478 HA ARG 67 HA ARG 67 -9.356 7.576 -10.423 479 1HB ARG 67 2HB ARG 67 -10.588 8.954 -12.046 480 2HB ARG 67 1HB ARG 67 -10.315 9.874 -10.565 481 1HG ARG 67 2HG ARG 67 -8.265 10.862 -11.637 482 2HG ARG 67 1HG ARG 67 -8.731 10.064 -13.140 483 1HD ARG 67 2HD ARG 67 -10.784 11.752 -11.746 484 2HD ARG 67 1HD ARG 67 -9.504 12.562 -12.674 485 HE ARG 67 HE ARG 67 -10.364 11.572 -14.666 486 1HH1 ARG 67 1HH2 ARG 67 -12.709 11.539 -12.370 487 2HH1 ARG 67 2HH2 ARG 67 -13.566 10.154 -12.961 488 1HH2 ARG 67 2HH1 ARG 67 -11.087 9.248 -15.211 489 2HH2 ARG 67 1HH1 ARG 67 -12.647 8.857 -14.569 490 H ASP 68 H ASP 68 -6.971 9.441 -12.281 491 HA ASP 68 HA ASP 68 -6.950 7.524 -14.506 492 1HB ASP 68 2HB ASP 68 -6.556 9.936 -14.821 493 2HB ASP 68 1HB ASP 68 -5.175 9.867 -13.727 494 H GLU 69 H GLU 69 -5.061 8.216 -11.622 495 HA GLU 69 HA GLU 69 -2.832 6.477 -12.246 496 1HB GLU 69 2HB GLU 69 -3.792 8.273 -10.196 497 2HB GLU 69 1HB GLU 69 -3.186 6.790 -9.454 498 1HG GLU 69 2HG GLU 69 -1.119 6.996 -10.778 499 2HG GLU 69 1HG GLU 69 -1.710 8.512 -11.451 500 H PHE 70 H PHE 70 -5.667 6.195 -10.125 501 HA PHE 70 HA PHE 70 -5.316 3.558 -9.210 502 1HB PHE 70 2HB PHE 70 -7.030 5.341 -8.573 503 2HB PHE 70 1HB PHE 70 -7.913 4.898 -10.032 504 HD1 PHE 70 HD1 PHE 70 -7.182 4.028 -6.597 505 HD2 PHE 70 HD2 PHE 70 -8.712 2.512 -10.314 506 HE1 PHE 70 HE1 PHE 70 -8.256 2.152 -5.390 507 HE2 PHE 70 HE2 PHE 70 -9.789 0.635 -9.103 508 HZ PHE 70 HZ PHE 70 -9.562 0.461 -6.640 509 H ALA 71 H ALA 71 -6.167 4.813 -12.341 510 HA ALA 71 HA ALA 71 -7.432 2.446 -13.427 511 1HB ALA 71 1HB ALA 71 -5.797 4.473 -14.957 512 2HB ALA 71 2HB ALA 71 -7.339 4.924 -14.223 513 3HB ALA 71 3HB ALA 71 -7.285 3.662 -15.456 514 H VAL 72 H VAL 72 -4.152 3.763 -13.768 515 HA VAL 72 HA VAL 72 -2.935 1.724 -15.264 516 HB VAL 72 HB VAL 72 -1.835 3.342 -12.945 517 1HG1 VAL 72 1HG1 VAL 72 0.187 3.192 -14.719 518 2HG1 VAL 72 2HG1 VAL 72 -0.609 1.660 -15.070 519 3HG1 VAL 72 3HG1 VAL 72 -0.040 2.001 -13.438 520 1HG2 VAL 72 1HG2 VAL 72 -1.146 4.891 -14.886 521 2HG2 VAL 72 2HG2 VAL 72 -2.857 4.889 -14.445 522 3HG2 VAL 72 3HG2 VAL 72 -2.312 3.991 -15.860 523 H ALA 73 H ALA 73 -3.922 1.722 -11.894 524 HA ALA 73 HA ALA 73 -2.283 -0.650 -11.235 525 1HB ALA 73 1HB ALA 73 -3.675 1.507 -9.932 526 2HB ALA 73 2HB ALA 73 -2.437 0.434 -9.279 527 3HB ALA 73 3HB ALA 73 -4.142 -0.033 -9.206 528 H MET 74 H MET 74 -5.443 -0.156 -12.563 529 HA MET 74 HA MET 74 -6.536 -2.617 -11.348 530 1HB MET 74 2HB MET 74 -7.708 -1.065 -13.649 531 2HB MET 74 1HB MET 74 -8.555 -1.997 -12.420 532 1HG MET 74 2HG MET 74 -7.348 0.736 -12.231 533 2HG MET 74 1HG MET 74 -8.930 0.185 -11.700 534 1HE MET 74 1HE MET 74 -8.616 -1.823 -8.828 535 2HE MET 74 2HE MET 74 -7.271 -2.660 -9.597 536 3HE MET 74 3HE MET 74 -8.663 -2.175 -10.562 537 H PHE 75 H PHE 75 -5.572 -1.546 -14.619 538 HA PHE 75 HA PHE 75 -5.983 -4.195 -15.745 539 1HB PHE 75 2HB PHE 75 -5.429 -3.141 -17.740 540 2HB PHE 75 1HB PHE 75 -5.888 -1.738 -16.782 541 HD1 PHE 75 HD1 PHE 75 -3.363 -3.152 -18.803 542 HD2 PHE 75 HD2 PHE 75 -3.940 -0.665 -15.353 543 HE1 PHE 75 HE1 PHE 75 -1.094 -2.204 -19.110 544 HE2 PHE 75 HE2 PHE 75 -1.677 0.282 -15.658 545 HZ PHE 75 HZ PHE 75 -0.249 -0.488 -17.537 546 H LEU 76 H LEU 76 -3.486 -2.563 -13.994 547 HA LEU 76 HA LEU 76 -1.286 -4.296 -14.797 548 1HB LEU 76 2HB LEU 76 -1.861 -2.091 -12.911 549 2HB LEU 76 1HB LEU 76 -0.627 -3.225 -12.362 550 HG LEU 76 HG LEU 76 -0.618 -1.882 -15.078 551 1HD1 LEU 76 1HD1 LEU 76 0.621 -0.175 -14.217 552 2HD1 LEU 76 2HD1 LEU 76 1.468 -1.233 -13.088 553 3HD1 LEU 76 3HD1 LEU 76 -0.141 -0.629 -12.693 554 1HD2 LEU 76 1HD2 LEU 76 0.576 -4.202 -14.433 555 2HD2 LEU 76 2HD2 LEU 76 1.790 -3.092 -13.798 556 3HD2 LEU 76 3HD2 LEU 76 1.340 -3.025 -15.501 557 H VAL 77 H VAL 77 -3.909 -4.372 -12.517 558 HA VAL 77 HA VAL 77 -2.787 -6.651 -10.990 559 HB VAL 77 HB VAL 77 -5.353 -5.025 -10.879 560 1HG1 VAL 77 1HG1 VAL 77 -6.031 -7.126 -10.050 561 2HG1 VAL 77 2HG1 VAL 77 -5.520 -6.271 -8.593 562 3HG1 VAL 77 3HG1 VAL 77 -4.450 -7.456 -9.341 563 1HG2 VAL 77 1HG2 VAL 77 -2.895 -4.298 -10.060 564 2HG2 VAL 77 2HG2 VAL 77 -3.402 -5.199 -8.635 565 3HG2 VAL 77 3HG2 VAL 77 -4.352 -3.821 -9.195 566 H TYR 78 H TYR 78 -5.474 -5.889 -13.195 567 HA TYR 78 HA TYR 78 -6.608 -8.534 -13.249 568 1HB TYR 78 2HB TYR 78 -6.811 -5.950 -14.701 569 2HB TYR 78 1HB TYR 78 -7.387 -7.373 -15.571 570 HD1 TYR 78 HD1 TYR 78 -8.717 -4.823 -13.902 571 HD2 TYR 78 HD2 TYR 78 -8.435 -9.087 -13.464 572 HE1 TYR 78 HE1 TYR 78 -10.792 -4.820 -12.544 573 HE2 TYR 78 HE2 TYR 78 -10.508 -9.084 -12.102 574 HH TYR 78 HH TYR 78 -12.687 -7.020 -12.081 575 H CYS 79 H CYS 79 -3.833 -7.121 -14.768 576 HA CYS 79 HA CYS 79 -3.720 -9.069 -16.974 577 1HB CYS 79 2HB CYS 79 -2.056 -6.792 -15.911 578 2HB CYS 79 1HB CYS 79 -1.375 -7.890 -17.111 579 HG CYS 79 HG CYS 79 -2.539 -6.334 -18.686 580 H ALA 80 H ALA 80 -2.500 -8.713 -13.711 581 HA ALA 80 HA ALA 80 -0.387 -10.691 -13.934 582 1HB ALA 80 1HB ALA 80 -0.913 -10.561 -11.308 583 2HB ALA 80 2HB ALA 80 -1.822 -9.137 -11.817 584 3HB ALA 80 3HB ALA 80 -0.092 -9.242 -12.143 585 H LEU 81 H LEU 81 -3.806 -10.756 -13.655 586 HA LEU 81 HA LEU 81 -3.903 -13.471 -12.520 587 1HB LEU 81 2HB LEU 81 -5.922 -11.397 -13.378 588 2HB LEU 81 1HB LEU 81 -6.390 -12.993 -12.786 589 HG LEU 81 HG LEU 81 -4.410 -11.811 -11.040 590 1HD1 LEU 81 1HD1 LEU 81 -5.328 -9.785 -10.466 591 2HD1 LEU 81 2HD1 LEU 81 -6.965 -10.286 -10.896 592 3HD1 LEU 81 3HD1 LEU 81 -5.824 -9.817 -12.157 593 1HD2 LEU 81 1HD2 LEU 81 -5.624 -13.113 -9.669 594 2HD2 LEU 81 2HD2 LEU 81 -6.779 -13.398 -10.968 595 3HD2 LEU 81 3HD2 LEU 81 -7.010 -12.039 -9.866 596 H GLU 82 H GLU 82 -4.677 -11.795 -15.568 597 HA GLU 82 HA GLU 82 -4.904 -14.488 -16.868 598 1HB GLU 82 2HB GLU 82 -7.040 -13.600 -16.994 599 2HB GLU 82 1HB GLU 82 -6.458 -11.938 -17.026 600 1HG GLU 82 2HG GLU 82 -5.855 -12.087 -19.331 601 2HG GLU 82 1HG GLU 82 -6.020 -13.842 -19.335 602 H LYS 83 H LYS 83 -3.098 -11.550 -16.847 603 HA LYS 83 HA LYS 83 -2.235 -12.012 -19.675 604 1HB LYS 83 2HB LYS 83 -3.088 -9.777 -19.014 605 2HB LYS 83 1HB LYS 83 -1.796 -9.646 -17.828 606 1HG LYS 83 2HG LYS 83 -0.276 -9.079 -19.398 607 2HG LYS 83 1HG LYS 83 -0.793 -10.384 -20.468 608 1HD LYS 83 2HD LYS 83 -2.413 -9.069 -21.512 609 2HD LYS 83 1HD LYS 83 -2.547 -7.967 -20.139 610 1HE LYS 83 2HE LYS 83 -1.330 -6.695 -21.720 611 2HE LYS 83 1HE LYS 83 -0.044 -7.384 -20.707 612 1HZ LYS 83 1HZ LYS 83 -1.080 -8.505 -23.257 613 2HZ LYS 83 2HZ LYS 83 0.037 -9.288 -22.245 614 3HZ LYS 83 3HZ LYS 83 0.454 -7.827 -23.006 615 H GLU 84 H GLU 84 -0.305 -10.469 -17.141 616 HA GLU 84 HA GLU 84 1.489 -12.780 -16.853 617 1HB GLU 84 2HB GLU 84 1.809 -10.748 -18.909 618 2HB GLU 84 1HB GLU 84 3.205 -10.778 -17.834 619 1HG GLU 84 2HG GLU 84 3.584 -13.112 -18.249 620 2HG GLU 84 1HG GLU 84 2.030 -13.282 -19.065 621 HA PRO 85 HA PRO 85 2.827 -10.680 -13.246 622 1HB PRO 85 2HB PRO 85 5.567 -10.555 -13.376 623 2HB PRO 85 1HB PRO 85 4.674 -12.052 -13.034 624 1HG PRO 85 2HG PRO 85 5.850 -11.098 -15.606 625 2HG PRO 85 1HG PRO 85 5.859 -12.721 -14.897 626 1HD PRO 85 2HD PRO 85 4.160 -12.033 -16.870 627 2HD PRO 85 1HD PRO 85 3.709 -13.190 -15.597 628 H VAL 86 H VAL 86 4.036 -8.663 -12.417 629 HA VAL 86 HA VAL 86 3.948 -6.544 -14.534 630 HB VAL 86 HB VAL 86 3.428 -6.516 -11.543 631 1HG1 VAL 86 1HG1 VAL 86 3.373 -4.307 -13.616 632 2HG1 VAL 86 2HG1 VAL 86 4.378 -4.386 -12.169 633 3HG1 VAL 86 3HG1 VAL 86 2.634 -4.165 -12.022 634 1HG2 VAL 86 1HG2 VAL 86 1.494 -7.418 -12.432 635 2HG2 VAL 86 2HG2 VAL 86 1.732 -6.651 -14.002 636 3HG2 VAL 86 3HG2 VAL 86 1.132 -5.705 -12.640 637 HA PRO 87 HA PRO 87 8.205 -5.974 -13.408 638 1HB PRO 87 2HB PRO 87 8.722 -3.960 -15.185 639 2HB PRO 87 1HB PRO 87 8.580 -5.658 -15.679 640 1HG PRO 87 2HG PRO 87 6.698 -3.429 -16.059 641 2HG PRO 87 1HG PRO 87 6.897 -4.913 -16.997 642 1HD PRO 87 2HD PRO 87 4.901 -4.367 -15.071 643 2HD PRO 87 1HD PRO 87 5.222 -5.919 -15.871 644 H MET 88 H MET 88 9.516 -3.624 -13.133 645 HA MET 88 HA MET 88 7.749 -2.022 -11.309 646 1HB MET 88 2HB MET 88 10.766 -2.161 -11.384 647 2HB MET 88 1HB MET 88 9.752 -1.546 -10.082 648 1HG MET 88 2HG MET 88 8.956 -3.733 -9.540 649 2HG MET 88 1HG MET 88 9.630 -4.421 -11.016 650 1HE MET 88 1HE MET 88 11.873 -5.741 -10.953 651 2HE MET 88 2HE MET 88 13.281 -4.762 -10.550 652 3HE MET 88 3HE MET 88 12.061 -4.128 -11.651 653 H SER 89 H SER 89 8.757 -1.866 -14.382 654 HA SER 89 HA SER 89 9.683 0.967 -14.216 655 1HB SER 89 2HB SER 89 9.760 -1.021 -16.483 656 2HB SER 89 1HB SER 89 10.570 0.540 -16.433 657 HG SER 89 HG SER 89 11.469 -1.781 -15.566 658 H LEU 90 H LEU 90 7.830 2.157 -14.181 659 HA LEU 90 HA LEU 90 5.370 1.726 -15.486 660 1HB LEU 90 2HB LEU 90 6.889 3.901 -14.287 661 2HB LEU 90 1HB LEU 90 5.920 4.483 -15.642 662 HG LEU 90 HG LEU 90 4.695 2.649 -13.597 663 1HD1 LEU 90 1HD1 LEU 90 5.636 4.411 -12.239 664 2HD1 LEU 90 2HD1 LEU 90 3.914 4.742 -12.420 665 3HD1 LEU 90 3HD1 LEU 90 5.091 5.645 -13.373 666 1HD2 LEU 90 1HD2 LEU 90 2.700 3.350 -14.517 667 2HD2 LEU 90 2HD2 LEU 90 3.738 3.585 -15.922 668 3HD2 LEU 90 3HD2 LEU 90 3.318 4.957 -14.897 669 HA PRO 91 HA PRO 91 7.140 1.892 -19.640 670 1HB PRO 91 2HB PRO 91 4.960 0.784 -20.875 671 2HB PRO 91 1HB PRO 91 6.215 -0.175 -20.066 672 1HG PRO 91 2HG PRO 91 3.514 0.603 -19.103 673 2HG PRO 91 1HG PRO 91 4.401 -0.909 -18.873 674 1HD PRO 91 2HD PRO 91 4.181 1.028 -16.957 675 2HD PRO 91 1HD PRO 91 5.540 -0.114 -17.055 676 HA PRO 92 HA PRO 92 5.257 5.626 -20.968 677 1HB PRO 92 2HB PRO 92 5.951 5.575 -23.608 678 2HB PRO 92 1HB PRO 92 7.115 5.908 -22.310 679 1HG PRO 92 2HG PRO 92 6.629 3.388 -23.817 680 2HG PRO 92 1HG PRO 92 8.156 4.100 -23.274 681 1HD PRO 92 2HD PRO 92 6.931 2.032 -21.998 682 2HD PRO 92 1HD PRO 92 7.972 3.213 -21.172 683 H ALA 93 H ALA 93 4.234 2.578 -22.130 684 HA ALA 93 HA ALA 93 2.201 3.624 -23.988 685 1HB ALA 93 1HB ALA 93 2.162 1.446 -24.661 686 2HB ALA 93 2HB ALA 93 1.990 0.854 -23.008 687 3HB ALA 93 3HB ALA 93 3.587 1.253 -23.640 688 H LEU 94 H LEU 94 2.497 2.627 -20.665 689 HA LEU 94 HA LEU 94 -0.446 2.849 -20.240 690 1HB LEU 94 2HB LEU 94 0.251 0.864 -19.287 691 2HB LEU 94 1HB LEU 94 1.894 1.437 -19.066 692 HG LEU 94 HG LEU 94 0.635 0.999 -16.932 693 1HD1 LEU 94 1HD1 LEU 94 1.115 3.826 -16.597 694 2HD1 LEU 94 2HD1 LEU 94 2.357 3.106 -17.624 695 3HD1 LEU 94 3HD1 LEU 94 2.059 2.456 -16.011 696 1HD2 LEU 94 1HD2 LEU 94 -1.453 1.798 -16.749 697 2HD2 LEU 94 2HD2 LEU 94 -1.277 2.684 -18.264 698 3HD2 LEU 94 3HD2 LEU 94 -0.793 3.433 -16.742 699 H VAL 95 H VAL 95 2.466 4.594 -19.934 700 HA VAL 95 HA VAL 95 1.632 6.195 -17.602 701 HB VAL 95 HB VAL 95 3.964 6.203 -19.530 702 1HG1 VAL 95 1HG1 VAL 95 3.498 8.006 -17.132 703 2HG1 VAL 95 2HG1 VAL 95 3.467 8.523 -18.818 704 3HG1 VAL 95 3HG1 VAL 95 4.970 7.941 -18.103 705 1HG2 VAL 95 1HG2 VAL 95 3.621 4.456 -17.634 706 2HG2 VAL 95 2HG2 VAL 95 4.005 5.786 -16.542 707 3HG2 VAL 95 3HG2 VAL 95 5.185 5.262 -17.744 708 HA PRO 96 HA PRO 96 -0.525 9.154 -20.093 709 1HB PRO 96 2HB PRO 96 -0.718 11.115 -18.188 710 2HB PRO 96 1HB PRO 96 -1.727 9.655 -18.173 711 1HG PRO 96 2HG PRO 96 0.717 10.285 -16.596 712 2HG PRO 96 1HG PRO 96 -0.765 9.455 -16.097 713 1HD PRO 96 2HD PRO 96 1.547 8.151 -16.701 714 2HD PRO 96 1HD PRO 96 -0.066 7.433 -16.917 715 HA PRO 97 HA PRO 97 2.421 12.089 -21.514 716 1HB PRO 97 2HB PRO 97 1.071 14.476 -21.606 717 2HB PRO 97 1HB PRO 97 0.791 13.157 -22.760 718 1HG PRO 97 2HG PRO 97 -0.771 13.907 -20.331 719 2HG PRO 97 1HG PRO 97 -1.347 13.408 -21.931 720 1HD PRO 97 2HD PRO 97 -1.293 11.716 -19.828 721 2HD PRO 97 1HD PRO 97 -1.024 11.165 -21.496 722 H SER 98 H SER 98 3.354 14.435 -20.949 723 HA SER 98 HA SER 98 4.326 15.850 -19.334 724 1HB SER 98 2HB SER 98 2.663 16.528 -17.960 725 2HB SER 98 1HB SER 98 1.754 15.072 -18.343 726 HG SER 98 HG SER 98 2.805 15.685 -16.055 727 H LYS 99 H LYS 99 3.463 12.725 -17.836 728 HA LYS 99 HA LYS 99 6.095 12.621 -16.498 729 1HB LYS 99 2HB LYS 99 3.880 11.937 -15.470 730 2HB LYS 99 1HB LYS 99 3.835 10.601 -16.621 731 1HG LYS 99 2HG LYS 99 4.877 9.512 -14.879 732 2HG LYS 99 1HG LYS 99 6.305 10.206 -15.649 733 1HD LYS 99 2HD LYS 99 6.731 11.481 -13.843 734 2HD LYS 99 1HD LYS 99 5.094 12.138 -13.868 735 1HE LYS 99 2HE LYS 99 4.255 10.428 -12.462 736 2HE LYS 99 1HE LYS 99 5.647 9.371 -12.775 737 1HZ LYS 99 1HZ LYS 99 6.223 12.027 -11.722 738 2HZ LYS 99 2HZ LYS 99 6.980 10.542 -11.393 739 3HZ LYS 99 3HZ LYS 99 5.508 10.932 -10.641 740 H ARG 100 H ARG 100 5.396 12.336 -19.562 741 HA ARG 100 HA ARG 100 5.991 9.693 -20.427 742 1HB ARG 100 2HB ARG 100 6.642 12.388 -21.667 743 2HB ARG 100 1HB ARG 100 6.564 10.857 -22.540 744 1HG ARG 100 2HG ARG 100 4.266 12.128 -21.025 745 2HG ARG 100 1HG ARG 100 4.457 12.122 -22.778 746 1HD ARG 100 2HD ARG 100 4.230 9.631 -21.048 747 2HD ARG 100 1HD ARG 100 2.936 10.300 -22.063 748 HE ARG 100 HE ARG 100 5.134 8.740 -23.043 749 1HH1 ARG 100 1HH2 ARG 100 2.542 9.393 -24.492 750 2HH1 ARG 100 2HH2 ARG 100 3.126 10.320 -25.834 751 1HH2 ARG 100 2HH1 ARG 100 6.240 10.896 -24.418 752 2HH2 ARG 100 1HH1 ARG 100 5.222 11.171 -25.791 753 H SER 107 1H SER 107 5.876 2.194 2.562 754 HA SER 107 HA SER 107 5.266 4.060 4.274 755 1HB SER 107 2HB SER 107 6.928 5.973 3.186 756 2HB SER 107 1HB SER 107 7.186 5.191 4.743 757 HG SER 107 HG SER 107 8.831 5.137 2.812 758 H THR 108 H THR 108 6.458 3.775 0.938 759 HA THR 108 HA THR 108 4.286 5.563 -0.026 760 HB THR 108 HB THR 108 6.495 4.163 -1.561 761 HG1 THR 108 HG1 THR 108 6.477 6.482 0.020 762 1HG2 THR 108 1HG2 THR 108 6.118 6.442 -2.865 763 2HG2 THR 108 2HG2 THR 108 4.529 6.350 -2.105 764 3HG2 THR 108 3HG2 THR 108 5.077 5.049 -3.162 765 H ASN 109 H ASN 109 5.250 2.180 0.024 766 HA ASN 109 HA ASN 109 2.887 1.501 -1.691 767 1HB ASN 109 2HB ASN 109 5.224 0.883 -2.417 768 2HB ASN 109 1HB ASN 109 5.327 -0.163 -0.998 769 1HD2 ASN 109 1HD2 ASN 109 3.596 0.317 -4.071 770 2HD2 ASN 109 2HD2 ASN 109 2.980 -1.258 -4.171 771 HA PRO 110 HA PRO 110 1.360 0.101 2.309 772 1HB PRO 110 2HB PRO 110 -1.217 -0.254 1.463 773 2HB PRO 110 1HB PRO 110 -0.549 1.337 1.880 774 1HG PRO 110 2HG PRO 110 -0.965 0.103 -0.792 775 2HG PRO 110 1HG PRO 110 -1.203 1.776 -0.272 776 1HD PRO 110 2HD PRO 110 0.977 0.937 -1.676 777 2HD PRO 110 1HD PRO 110 0.999 2.320 -0.563 778 H PHE 111 H PHE 111 2.000 -1.603 -0.481 779 HA PHE 111 HA PHE 111 0.648 -4.105 0.437 780 1HB PHE 111 2HB PHE 111 2.260 -3.702 -2.089 781 2HB PHE 111 1HB PHE 111 0.989 -4.884 -1.791 782 HD1 PHE 111 HD1 PHE 111 1.647 -1.243 -2.212 783 HD2 PHE 111 HD2 PHE 111 -1.317 -4.359 -2.219 784 HE1 PHE 111 HE1 PHE 111 -0.032 0.351 -3.072 785 HE2 PHE 111 HE2 PHE 111 -2.987 -2.752 -3.080 786 HZ PHE 111 HZ PHE 111 -2.341 -0.395 -3.502 787 H ARG 112 HN ARG 112 3.850 -2.898 -0.565 788 HA ARG 112 HA ARG 112 5.238 -5.296 0.352 789 1HB ARG 112 2HB ARG 112 6.240 -2.516 -0.350 790 2HB ARG 112 1HB ARG 112 7.219 -3.982 -0.277 791 1HG ARG 112 2HG ARG 112 4.792 -3.921 -2.043 792 2HG ARG 112 1HG ARG 112 6.284 -3.157 -2.593 793 1HD ARG 112 2HD ARG 112 6.798 -5.792 -1.441 794 2HD ARG 112 1HD ARG 112 5.682 -5.873 -2.820 795 HE ARG 112 HE ARG 112 7.392 -4.951 -4.222 796 1HH1 ARG 112 1HH2 ARG 112 8.397 -2.864 -2.317 797 2HH1 ARG 112 2HH2 ARG 112 9.990 -3.442 -1.955 798 1HH2 ARG 112 1HH1 ARG 112 9.387 -6.641 -3.145 799 2HH2 ARG 112 2HH1 ARG 112 10.549 -5.580 -2.424 Start of MODEL 3 1 HA PRO 6 HA PRO 6 -1.800 5.639 -27.415 2 1HB PRO 6 2HB PRO 6 -4.206 4.754 -26.461 3 2HB PRO 6 1HB PRO 6 -3.965 5.262 -28.143 4 1HG PRO 6 2HG PRO 6 -4.119 2.527 -26.999 5 2HG PRO 6 1HG PRO 6 -4.708 3.139 -28.552 6 1HD PRO 6 2HD PRO 6 -2.400 1.680 -28.231 7 2HD PRO 6 1HD PRO 6 -2.711 2.785 -29.588 8 H TRP 7 H TRP 7 -2.943 5.866 -25.010 9 HA TRP 7 HA TRP 7 -1.035 5.119 -23.087 10 1HB TRP 7 2HB TRP 7 -2.714 6.832 -22.723 11 2HB TRP 7 1HB TRP 7 -4.016 5.655 -22.892 12 HD1 TRP 7 HD1 TRP 7 -0.906 4.743 -20.923 13 HE1 TRP 7 HE1 TRP 7 -1.521 4.515 -18.429 14 HE3 TRP 7 HE3 TRP 7 -5.694 6.510 -21.033 15 HZ2 TRP 7 HZ2 TRP 7 -3.752 5.016 -16.708 16 HZ3 TRP 7 HZ3 TRP 7 -7.041 6.623 -18.956 17 HH2 TRP 7 HH2 TRP 7 -6.078 5.878 -16.795 18 H ALA 8 H ALA 8 -0.649 3.226 -21.980 19 HA ALA 8 HA ALA 8 -1.412 0.697 -22.731 20 1HB ALA 8 1HB ALA 8 -0.787 1.953 -20.071 21 2HB ALA 8 2HB ALA 8 0.227 0.906 -21.065 22 3HB ALA 8 3HB ALA 8 -1.134 0.227 -20.171 23 H VAL 9 H VAL 9 -3.332 2.989 -20.896 24 HA VAL 9 HA VAL 9 -5.515 0.948 -20.661 25 HB VAL 9 HB VAL 9 -4.869 3.475 -19.111 26 1HG1 VAL 9 1HG1 VAL 9 -6.828 3.161 -17.858 27 2HG1 VAL 9 2HG1 VAL 9 -7.010 1.488 -18.386 28 3HG1 VAL 9 3HG1 VAL 9 -7.365 2.808 -19.500 29 1HG2 VAL 9 1HG2 VAL 9 -4.490 1.885 -17.256 30 2HG2 VAL 9 2HG2 VAL 9 -3.424 1.528 -18.614 31 3HG2 VAL 9 3HG2 VAL 9 -4.858 0.538 -18.334 32 H LYS 10 H LYS 10 -7.422 1.374 -21.729 33 HA LYS 10 HA LYS 10 -7.559 3.820 -23.404 34 1HB LYS 10 2HB LYS 10 -8.433 1.057 -23.479 35 2HB LYS 10 1HB LYS 10 -9.792 2.135 -23.791 36 1HG LYS 10 2HG LYS 10 -8.995 2.144 -25.925 37 2HG LYS 10 1HG LYS 10 -7.838 3.315 -25.291 38 1HD LYS 10 2HD LYS 10 -6.463 1.714 -26.339 39 2HD LYS 10 1HD LYS 10 -6.421 1.238 -24.641 40 1HE LYS 10 2HE LYS 10 -8.510 -0.242 -25.309 41 2HE LYS 10 1HE LYS 10 -7.825 -0.090 -26.939 42 1HZ LYS 10 1HZ LYS 10 -6.964 -1.892 -25.190 43 2HZ LYS 10 2HZ LYS 10 -5.940 -0.601 -24.781 44 3HZ LYS 10 3HZ LYS 10 -5.959 -1.203 -26.369 45 HA PRO 11 HA PRO 11 -10.808 5.771 -21.177 46 1HB PRO 11 2HB PRO 11 -12.872 6.074 -22.954 47 2HB PRO 11 1HB PRO 11 -11.376 7.026 -23.039 48 1HG PRO 11 2HG PRO 11 -12.189 4.629 -24.612 49 2HG PRO 11 1HG PRO 11 -11.340 6.091 -25.141 50 1HD PRO 11 2HD PRO 11 -10.071 3.744 -24.661 51 2HD PRO 11 1HD PRO 11 -9.297 5.326 -24.427 52 H GLU 12 H GLU 12 -11.913 2.964 -23.031 53 HA GLU 12 HA GLU 12 -14.277 2.485 -21.389 54 1HB GLU 12 2HB GLU 12 -12.820 0.482 -23.119 55 2HB GLU 12 1HB GLU 12 -14.553 0.610 -22.822 56 1HG GLU 12 2HG GLU 12 -12.813 2.403 -24.513 57 2HG GLU 12 1HG GLU 12 -14.234 1.487 -25.009 58 H ASP 13 H ASP 13 -10.930 1.382 -21.460 59 HA ASP 13 HA ASP 13 -11.308 -0.684 -19.423 60 1HB ASP 13 2HB ASP 13 -9.100 0.574 -20.998 61 2HB ASP 13 1HB ASP 13 -8.645 -0.207 -19.483 62 H LYS 14 H LYS 14 -10.317 2.696 -19.562 63 HA LYS 14 HA LYS 14 -9.567 2.847 -16.751 64 1HB LYS 14 2HB LYS 14 -8.824 4.291 -18.774 65 2HB LYS 14 1HB LYS 14 -10.364 5.127 -18.565 66 1HG LYS 14 2HG LYS 14 -9.224 4.910 -15.984 67 2HG LYS 14 1HG LYS 14 -7.928 5.445 -17.056 68 1HD LYS 14 2HD LYS 14 -9.156 7.353 -17.763 69 2HD LYS 14 1HD LYS 14 -10.666 6.723 -17.103 70 1HE LYS 14 2HE LYS 14 -10.206 7.515 -15.018 71 2HE LYS 14 1HE LYS 14 -8.515 6.985 -15.100 72 1HZ LYS 14 1HZ LYS 14 -7.899 8.855 -16.308 73 2HZ LYS 14 2HZ LYS 14 -8.992 9.493 -15.175 74 3HZ LYS 14 3HZ LYS 14 -9.489 9.213 -16.775 75 H ALA 15 H ALA 15 -12.468 2.997 -18.602 76 HA ALA 15 HA ALA 15 -14.108 4.569 -16.820 77 1HB ALA 15 1HB ALA 15 -15.292 4.337 -18.744 78 2HB ALA 15 2HB ALA 15 -15.714 2.718 -18.186 79 3HB ALA 15 3HB ALA 15 -14.320 2.952 -19.240 80 H LYS 16 H LYS 16 -13.586 1.057 -17.235 81 HA LYS 16 HA LYS 16 -15.308 0.316 -15.031 82 1HB LYS 16 2HB LYS 16 -14.814 -1.794 -15.792 83 2HB LYS 16 1HB LYS 16 -14.151 -0.923 -17.171 84 1HG LYS 16 2HG LYS 16 -11.931 -1.042 -16.286 85 2HG LYS 16 1HG LYS 16 -12.518 -1.635 -14.731 86 1HD LYS 16 2HD LYS 16 -11.752 -3.586 -15.841 87 2HD LYS 16 1HD LYS 16 -13.501 -3.614 -16.061 88 1HE LYS 16 2HE LYS 16 -13.362 -3.122 -18.322 89 2HE LYS 16 1HE LYS 16 -11.849 -2.214 -18.136 90 1HZ LYS 16 1HZ LYS 16 -11.761 -5.010 -17.356 91 2HZ LYS 16 2HZ LYS 16 -10.608 -4.079 -18.187 92 3HZ LYS 16 3HZ LYS 16 -11.940 -4.728 -19.019 93 H TYR 17 H TYR 17 -12.085 1.496 -15.364 94 HA TYR 17 HA TYR 17 -11.105 0.572 -12.757 95 1HB TYR 17 2HB TYR 17 -10.145 2.666 -14.742 96 2HB TYR 17 1HB TYR 17 -9.208 2.073 -13.373 97 HD1 TYR 17 HD1 TYR 17 -7.842 1.767 -15.801 98 HD2 TYR 17 HD2 TYR 17 -10.998 -0.704 -14.261 99 HE1 TYR 17 HE1 TYR 17 -7.022 -0.130 -17.176 100 HE2 TYR 17 HE2 TYR 17 -10.191 -2.595 -15.644 101 HH TYR 17 HH TYR 17 -8.315 -3.357 -16.802 102 H ASP 18 H ASP 18 -12.713 3.370 -14.124 103 HA ASP 18 HA ASP 18 -12.275 5.133 -11.840 104 1HB ASP 18 2HB ASP 18 -12.892 5.510 -14.413 105 2HB ASP 18 1HB ASP 18 -14.538 5.444 -13.781 106 H ALA 19 H ALA 19 -14.511 2.592 -12.624 107 HA ALA 19 HA ALA 19 -16.601 3.477 -10.756 108 1HB ALA 19 1HB ALA 19 -16.602 0.665 -11.539 109 2HB ALA 19 2HB ALA 19 -16.329 1.712 -12.932 110 3HB ALA 19 3HB ALA 19 -17.770 1.925 -11.938 111 H ILE 20 H ILE 20 -13.820 1.309 -10.810 112 HA ILE 20 HA ILE 20 -14.380 0.126 -8.203 113 HB ILE 20 HB ILE 20 -12.031 0.213 -10.122 114 1HG1 ILE 20 2HG1 ILE 20 -13.718 -2.162 -9.320 115 2HG1 ILE 20 1HG1 ILE 20 -14.215 -1.079 -10.622 116 1HG2 ILE 20 1HG2 ILE 20 -10.766 -1.113 -8.715 117 2HG2 ILE 20 2HG2 ILE 20 -12.175 -1.744 -7.866 118 3HG2 ILE 20 3HG2 ILE 20 -11.597 -0.113 -7.523 119 1HD1 ILE 20 1HD1 ILE 20 -12.055 -1.482 -11.769 120 2HD1 ILE 20 2HD1 ILE 20 -12.951 -2.983 -11.531 121 3HD1 ILE 20 3HD1 ILE 20 -11.589 -2.592 -10.481 122 H PHE 21 H PHE 21 -12.529 2.762 -9.587 123 HA PHE 21 HA PHE 21 -10.986 3.453 -7.260 124 1HB PHE 21 2HB PHE 21 -10.124 4.394 -9.173 125 2HB PHE 21 1HB PHE 21 -11.705 4.517 -9.936 126 HD1 PHE 21 HD1 PHE 21 -9.075 6.315 -8.349 127 HD2 PHE 21 HD2 PHE 21 -13.326 6.329 -8.959 128 HE1 PHE 21 HE1 PHE 21 -9.143 8.737 -7.821 129 HE2 PHE 21 HE2 PHE 21 -13.396 8.749 -8.425 130 HZ PHE 21 HZ PHE 21 -11.304 9.954 -7.858 131 H ASP 22 H ASP 22 -14.183 4.336 -8.465 132 HA ASP 22 HA ASP 22 -14.628 6.254 -6.259 133 1HB ASP 22 2HB ASP 22 -15.453 6.921 -8.367 134 2HB ASP 22 1HB ASP 22 -16.104 5.318 -8.715 135 H SER 23 H SER 23 -14.877 2.922 -6.688 136 HA SER 23 HA SER 23 -17.364 2.474 -5.204 137 1HB SER 23 2HB SER 23 -16.691 0.138 -5.423 138 2HB SER 23 1HB SER 23 -16.357 0.954 -6.947 139 HG SER 23 HG SER 23 -14.494 0.507 -4.847 140 H LEU 24 H LEU 24 -14.128 3.243 -4.467 141 HA LEU 24 HA LEU 24 -14.175 2.076 -1.747 142 1HB LEU 24 2HB LEU 24 -12.121 3.902 -3.005 143 2HB LEU 24 1HB LEU 24 -11.868 2.684 -1.756 144 HG LEU 24 HG LEU 24 -12.779 1.980 -4.551 145 1HD1 LEU 24 1HD1 LEU 24 -10.686 2.272 -5.323 146 2HD1 LEU 24 2HD1 LEU 24 -10.038 1.293 -4.007 147 3HD1 LEU 24 3HD1 LEU 24 -10.264 3.027 -3.785 148 1HD2 LEU 24 1HD2 LEU 24 -12.998 0.419 -2.483 149 2HD2 LEU 24 2HD2 LEU 24 -11.240 0.298 -2.584 150 3HD2 LEU 24 3HD2 LEU 24 -12.240 -0.233 -3.938 151 H SER 25 H SER 25 -13.648 5.224 -3.280 152 HA SER 25 HA SER 25 -15.326 7.033 -2.264 153 1HB SER 25 2HB SER 25 -15.391 6.334 -0.037 154 2HB SER 25 1HB SER 25 -13.677 5.935 -0.004 155 HG SER 25 HG SER 25 -13.228 8.156 -0.036 156 HA PRO 26 HA PRO 26 -11.536 8.776 -4.035 157 1HB PRO 26 2HB PRO 26 -12.846 10.431 -5.769 158 2HB PRO 26 1HB PRO 26 -12.525 8.720 -6.120 159 1HG PRO 26 2HG PRO 26 -15.030 10.026 -5.214 160 2HG PRO 26 1HG PRO 26 -14.801 8.671 -6.329 161 1HD PRO 26 2HD PRO 26 -15.583 8.404 -3.700 162 2HD PRO 26 1HD PRO 26 -14.785 7.130 -4.642 163 H VAL 27 H VAL 27 -10.601 10.803 -3.645 164 HA VAL 27 HA VAL 27 -12.267 12.790 -2.134 165 HB VAL 27 HB VAL 27 -9.398 11.879 -1.706 166 1HG1 VAL 27 1HG1 VAL 27 -11.023 13.808 -0.030 167 2HG1 VAL 27 2HG1 VAL 27 -9.877 14.333 -1.264 168 3HG1 VAL 27 3HG1 VAL 27 -9.312 13.420 0.135 169 1HG2 VAL 27 1HG2 VAL 27 -11.558 10.508 -0.955 170 2HG2 VAL 27 2HG2 VAL 27 -11.566 11.692 0.352 171 3HG2 VAL 27 3HG2 VAL 27 -10.160 10.655 0.109 172 H ASN 28 H ASN 28 -12.512 14.348 -3.753 173 HA ASN 28 HA ASN 28 -11.857 16.096 -5.206 174 1HB ASN 28 2HB ASN 28 -10.300 16.457 -3.232 175 2HB ASN 28 1HB ASN 28 -9.091 15.516 -4.105 176 1HD2 ASN 28 1HD2 ASN 28 -8.294 16.410 -6.183 177 2HD2 ASN 28 2HD2 ASN 28 -8.425 18.073 -6.499 178 H GLY 29 H GLY 29 -11.352 12.991 -5.688 179 1HA GLY 29 2HA GLY 29 -11.094 12.083 -7.937 180 2HA GLY 29 1HA GLY 29 -10.012 13.425 -8.313 181 H PHE 30 H PHE 30 -9.814 11.549 -5.334 182 HA PHE 30 HA PHE 30 -7.420 10.117 -6.372 183 1HB PHE 30 2HB PHE 30 -7.535 12.075 -4.073 184 2HB PHE 30 1HB PHE 30 -6.186 10.960 -4.321 185 HD1 PHE 30 HD1 PHE 30 -7.783 14.034 -5.394 186 HD2 PHE 30 HD2 PHE 30 -4.904 11.041 -6.472 187 HE1 PHE 30 HE1 PHE 30 -6.838 15.566 -7.090 188 HE2 PHE 30 HE2 PHE 30 -3.946 12.578 -8.177 189 HZ PHE 30 HZ PHE 30 -4.914 14.843 -8.484 190 H LEU 31 H LEU 31 -6.895 8.262 -5.223 191 HA LEU 31 HA LEU 31 -8.840 7.433 -3.089 192 1HB LEU 31 2HB LEU 31 -7.415 6.004 -5.332 193 2HB LEU 31 1HB LEU 31 -7.883 5.097 -3.894 194 HG LEU 31 HG LEU 31 -9.679 6.560 -5.833 195 1HD1 LEU 31 1HD1 LEU 31 -10.749 4.139 -5.446 196 2HD1 LEU 31 2HD1 LEU 31 -9.085 3.755 -5.004 197 3HD1 LEU 31 3HD1 LEU 31 -9.448 4.397 -6.609 198 1HD2 LEU 31 1HD2 LEU 31 -11.501 5.722 -4.194 199 2HD2 LEU 31 2HD2 LEU 31 -10.606 7.168 -3.724 200 3HD2 LEU 31 3HD2 LEU 31 -10.201 5.609 -3.007 201 H SER 32 H SER 32 -7.814 6.153 -1.332 202 HA SER 32 HA SER 32 -4.970 6.976 -0.962 203 1HB SER 32 2HB SER 32 -5.459 6.880 1.377 204 2HB SER 32 1HB SER 32 -6.875 7.619 0.636 205 HG SER 32 HG SER 32 -7.503 5.209 0.480 206 H GLY 33 H GLY 33 -3.395 5.414 -0.535 207 1HA GLY 33 2HA GLY 33 -3.550 2.860 -1.601 208 2HA GLY 33 1HA GLY 33 -2.504 3.243 -0.233 209 H ASP 34 H ASP 34 -4.938 4.002 1.372 210 HA ASP 34 HA ASP 34 -5.415 1.440 2.622 211 1HB ASP 34 2HB ASP 34 -5.370 3.608 3.798 212 2HB ASP 34 1HB ASP 34 -6.778 4.141 2.879 213 H LYS 35 H LYS 35 -7.049 3.266 0.102 214 HA LYS 35 HA LYS 35 -9.498 1.603 0.319 215 1HB LYS 35 2HB LYS 35 -8.582 4.011 -1.270 216 2HB LYS 35 1HB LYS 35 -10.078 3.170 -1.670 217 1HG LYS 35 2HG LYS 35 -10.992 3.598 0.522 218 2HG LYS 35 1HG LYS 35 -9.449 4.229 1.096 219 1HD LYS 35 2HD LYS 35 -9.700 5.938 -0.863 220 2HD LYS 35 1HD LYS 35 -11.405 5.484 -0.816 221 1HE LYS 35 2HE LYS 35 -11.632 7.003 0.860 222 2HE LYS 35 1HE LYS 35 -10.706 5.880 1.877 223 1HZ LYS 35 1HZ LYS 35 -9.293 7.618 -0.030 224 2HZ LYS 35 2HZ LYS 35 -8.732 6.939 1.423 225 3HZ LYS 35 3HZ LYS 35 -9.796 8.263 1.455 226 H VAL 36 H VAL 36 -6.701 2.216 -1.733 227 HA VAL 36 HA VAL 36 -7.520 0.384 -3.857 228 HB VAL 36 HB VAL 36 -4.910 1.708 -3.075 229 1HG1 VAL 36 1HG1 VAL 36 -5.226 0.998 -5.875 230 2HG1 VAL 36 2HG1 VAL 36 -5.315 -0.428 -4.841 231 3HG1 VAL 36 3HG1 VAL 36 -3.903 0.624 -4.772 232 1HG2 VAL 36 1HG2 VAL 36 -6.874 3.178 -3.669 233 2HG2 VAL 36 2HG2 VAL 36 -6.889 2.412 -5.260 234 3HG2 VAL 36 3HG2 VAL 36 -5.488 3.352 -4.746 235 H LYS 37 H LYS 37 -5.221 0.277 -1.134 236 HA LYS 37 HA LYS 37 -3.843 -2.052 -1.510 237 1HB LYS 37 2HB LYS 37 -3.512 -0.809 0.479 238 2HB LYS 37 1HB LYS 37 -5.216 -0.887 0.915 239 1HG LYS 37 2HG LYS 37 -4.981 -2.903 1.928 240 2HG LYS 37 1HG LYS 37 -3.952 -3.528 0.638 241 1HD LYS 37 2HD LYS 37 -2.012 -2.412 1.550 242 2HD LYS 37 1HD LYS 37 -3.000 -1.556 2.732 243 1HE LYS 37 2HE LYS 37 -3.556 -3.652 3.859 244 2HE LYS 37 1HE LYS 37 -2.683 -4.578 2.621 245 1HZ LYS 37 1HZ LYS 37 -1.496 -2.467 4.346 246 2HZ LYS 37 2HZ LYS 37 -0.671 -3.367 3.166 247 3HZ LYS 37 3HZ LYS 37 -1.275 -4.135 4.556 248 HA PRO 38 HA PRO 38 -7.509 -4.789 0.005 249 1HB PRO 38 2HB PRO 38 -9.988 -3.614 0.016 250 2HB PRO 38 1HB PRO 38 -8.927 -3.656 1.439 251 1HG PRO 38 2HG PRO 38 -9.367 -1.458 -0.530 252 2HG PRO 38 1HG PRO 38 -9.232 -1.378 1.235 253 1HD PRO 38 2HD PRO 38 -7.184 -0.720 -0.373 254 2HD PRO 38 1HD PRO 38 -6.928 -1.506 1.201 255 H VAL 39 H VAL 39 -8.182 -2.254 -2.366 256 HA VAL 39 HA VAL 39 -9.877 -3.733 -4.134 257 HB VAL 39 HB VAL 39 -8.081 -1.343 -4.190 258 1HG1 VAL 39 1HG1 VAL 39 -8.295 -0.979 -6.542 259 2HG1 VAL 39 2HG1 VAL 39 -9.371 -2.363 -6.729 260 3HG1 VAL 39 3HG1 VAL 39 -7.665 -2.611 -6.360 261 1HG2 VAL 39 1HG2 VAL 39 -10.380 -1.121 -3.435 262 2HG2 VAL 39 2HG2 VAL 39 -10.974 -1.876 -4.913 263 3HG2 VAL 39 3HG2 VAL 39 -10.203 -0.291 -4.980 264 H LEU 40 H LEU 40 -6.376 -3.501 -3.766 265 HA LEU 40 HA LEU 40 -5.842 -5.183 -6.124 266 1HB LEU 40 2HB LEU 40 -4.044 -4.097 -3.933 267 2HB LEU 40 1HB LEU 40 -3.539 -4.660 -5.528 268 HG LEU 40 HG LEU 40 -5.517 -2.410 -5.147 269 1HD1 LEU 40 1HD1 LEU 40 -3.353 -1.110 -5.968 270 2HD1 LEU 40 2HD1 LEU 40 -2.531 -2.435 -5.141 271 3HD1 LEU 40 3HD1 LEU 40 -3.657 -1.402 -4.256 272 1HD2 LEU 40 1HD2 LEU 40 -4.713 -1.940 -7.509 273 2HD2 LEU 40 2HD2 LEU 40 -5.646 -3.427 -7.305 274 3HD2 LEU 40 3HD2 LEU 40 -3.888 -3.500 -7.442 275 H LEU 41 H LEU 41 -6.000 -5.473 -2.622 276 HA LEU 41 HA LEU 41 -4.688 -8.036 -2.426 277 1HB LEU 41 2HB LEU 41 -6.617 -6.439 -0.726 278 2HB LEU 41 1HB LEU 41 -5.964 -7.990 -0.201 279 HG LEU 41 HG LEU 41 -4.200 -5.705 -1.097 280 1HD1 LEU 41 1HD1 LEU 41 -5.308 -4.817 0.806 281 2HD1 LEU 41 2HD1 LEU 41 -3.811 -5.498 1.446 282 3HD1 LEU 41 3HD1 LEU 41 -5.328 -6.381 1.623 283 1HD2 LEU 41 1HD2 LEU 41 -3.815 -8.462 -0.366 284 2HD2 LEU 41 2HD2 LEU 41 -3.013 -7.430 0.820 285 3HD2 LEU 41 3HD2 LEU 41 -2.610 -7.286 -0.892 286 H ASN 42 H ASN 42 -7.718 -6.979 -3.606 287 HA ASN 42 HA ASN 42 -9.078 -9.535 -3.070 288 1HB ASN 42 2HB ASN 42 -9.806 -6.888 -4.333 289 2HB ASN 42 1HB ASN 42 -10.914 -8.261 -4.360 290 1HD2 ASN 42 1HD2 ASN 42 -12.262 -6.684 -2.954 291 2HD2 ASN 42 2HD2 ASN 42 -11.971 -6.698 -1.282 292 H SER 43 H SER 43 -6.925 -8.374 -5.354 293 HA SER 43 HA SER 43 -8.112 -9.596 -7.747 294 1HB SER 43 2HB SER 43 -5.236 -8.817 -7.505 295 2HB SER 43 1HB SER 43 -6.365 -8.520 -8.823 296 HG SER 43 HG SER 43 -5.805 -7.028 -6.596 297 H LYS 44 H LYS 44 -7.159 -11.150 -5.149 298 HA LYS 44 HA LYS 44 -6.245 -13.290 -4.745 299 1HB LYS 44 2HB LYS 44 -7.555 -14.258 -6.381 300 2HB LYS 44 1HB LYS 44 -7.005 -13.147 -7.628 301 1HG LYS 44 2HG LYS 44 -4.846 -14.352 -7.743 302 2HG LYS 44 1HG LYS 44 -5.411 -15.472 -6.503 303 1HD LYS 44 2HD LYS 44 -7.245 -16.198 -7.960 304 2HD LYS 44 1HD LYS 44 -6.747 -15.035 -9.191 305 1HE LYS 44 2HE LYS 44 -5.696 -16.985 -9.960 306 2HE LYS 44 1HE LYS 44 -4.410 -16.290 -8.955 307 1HZ LYS 44 1HZ LYS 44 -4.640 -18.451 -8.146 308 2HZ LYS 44 2HZ LYS 44 -6.335 -18.426 -8.261 309 3HZ LYS 44 3HZ LYS 44 -5.550 -17.525 -7.054 310 H LEU 45 H LEU 45 -4.586 -10.790 -5.859 311 HA LEU 45 HA LEU 45 -2.110 -12.242 -6.651 312 1HB LEU 45 2HB LEU 45 -3.181 -9.437 -6.786 313 2HB LEU 45 1HB LEU 45 -1.441 -9.699 -6.894 314 HG LEU 45 HG LEU 45 -3.513 -11.024 -8.664 315 1HD1 LEU 45 1HD1 LEU 45 -2.918 -9.477 -10.341 316 2HD1 LEU 45 2HD1 LEU 45 -1.446 -8.999 -9.501 317 3HD1 LEU 45 3HD1 LEU 45 -3.015 -8.480 -8.891 318 1HD2 LEU 45 1HD2 LEU 45 -0.677 -10.964 -9.460 319 2HD2 LEU 45 2HD2 LEU 45 -1.829 -12.300 -9.510 320 3HD2 LEU 45 3HD2 LEU 45 -0.982 -11.919 -8.009 321 HA PRO 46 HA PRO 46 -0.342 -11.610 -2.689 322 1HB PRO 46 2HB PRO 46 2.305 -11.653 -3.372 323 2HB PRO 46 1HB PRO 46 1.294 -13.110 -3.347 324 1HG PRO 46 2HG PRO 46 2.211 -11.489 -5.647 325 2HG PRO 46 1HG PRO 46 1.956 -13.235 -5.521 326 1HD PRO 46 2HD PRO 46 0.207 -11.477 -6.719 327 2HD PRO 46 1HD PRO 46 -0.237 -13.078 -6.096 328 H VAL 47 H VAL 47 1.435 -10.047 -1.690 329 HA VAL 47 HA VAL 47 0.726 -7.337 -2.427 330 HB VAL 47 HB VAL 47 2.330 -8.803 -0.393 331 1HG1 VAL 47 1HG1 VAL 47 2.863 -5.910 -1.106 332 2HG1 VAL 47 2HG1 VAL 47 4.034 -7.227 -1.041 333 3HG1 VAL 47 3HG1 VAL 47 3.300 -6.626 0.444 334 1HG2 VAL 47 1HG2 VAL 47 -0.042 -8.047 -0.109 335 2HG2 VAL 47 2HG2 VAL 47 0.526 -6.380 -0.203 336 3HG2 VAL 47 3HG2 VAL 47 1.049 -7.416 1.124 337 H ASP 48 H ASP 48 2.871 -9.529 -3.787 338 HA ASP 48 HA ASP 48 5.050 -7.670 -4.357 339 1HB ASP 48 2HB ASP 48 4.344 -10.369 -5.559 340 2HB ASP 48 1HB ASP 48 5.923 -9.583 -5.613 341 H ILE 49 H ILE 49 2.108 -8.807 -5.903 342 HA ILE 49 HA ILE 49 2.783 -7.477 -8.449 343 HB ILE 49 HB ILE 49 0.082 -8.564 -7.694 344 1HG1 ILE 49 2HG1 ILE 49 1.638 -10.270 -6.890 345 2HG1 ILE 49 1HG1 ILE 49 0.879 -10.826 -8.379 346 1HG2 ILE 49 1HG2 ILE 49 0.546 -9.438 -10.161 347 2HG2 ILE 49 2HG2 ILE 49 1.726 -8.126 -10.148 348 3HG2 ILE 49 3HG2 ILE 49 0.021 -7.781 -9.864 349 1HD1 ILE 49 1HD1 ILE 49 2.852 -10.049 -9.658 350 2HD1 ILE 49 2HD1 ILE 49 3.279 -11.268 -8.457 351 3HD1 ILE 49 3HD1 ILE 49 3.623 -9.565 -8.147 352 H LEU 50 H LEU 50 0.630 -7.122 -5.681 353 HA LEU 50 HA LEU 50 -0.674 -4.708 -6.661 354 1HB LEU 50 2HB LEU 50 -0.372 -5.678 -3.815 355 2HB LEU 50 1HB LEU 50 -1.693 -4.734 -4.496 356 HG LEU 50 HG LEU 50 -1.020 -7.604 -5.193 357 1HD1 LEU 50 1HD1 LEU 50 -3.267 -6.345 -3.608 358 2HD1 LEU 50 2HD1 LEU 50 -2.026 -7.440 -3.000 359 3HD1 LEU 50 3HD1 LEU 50 -3.250 -8.031 -4.127 360 1HD2 LEU 50 1HD2 LEU 50 -2.471 -7.470 -6.933 361 2HD2 LEU 50 2HD2 LEU 50 -2.225 -5.729 -6.815 362 3HD2 LEU 50 3HD2 LEU 50 -3.607 -6.481 -6.017 363 H GLY 51 H GLY 51 2.200 -5.536 -4.836 364 1HA GLY 51 2HA GLY 51 2.670 -2.832 -3.837 365 2HA GLY 51 1HA GLY 51 3.844 -4.157 -3.834 366 H ARG 52 H ARG 52 3.148 -4.595 -6.730 367 HA ARG 52 HA ARG 52 5.051 -2.613 -7.864 368 1HB ARG 52 2HB ARG 52 4.432 -5.420 -8.123 369 2HB ARG 52 1HB ARG 52 4.314 -4.634 -9.694 370 1HG ARG 52 2HG ARG 52 6.567 -3.611 -9.281 371 2HG ARG 52 1HG ARG 52 6.689 -4.592 -7.819 372 1HD ARG 52 2HD ARG 52 5.879 -6.260 -10.038 373 2HD ARG 52 1HD ARG 52 7.369 -5.387 -10.440 374 HE ARG 52 HE ARG 52 7.456 -6.405 -7.734 375 1HH1 ARG 52 1HH2 ARG 52 6.971 -7.989 -10.658 376 2HH1 ARG 52 2HH2 ARG 52 8.384 -8.986 -10.555 377 1HH2 ARG 52 2HH1 ARG 52 9.644 -7.368 -7.759 378 2HH2 ARG 52 1HH1 ARG 52 9.896 -8.634 -8.914 379 H VAL 53 H VAL 53 1.759 -3.899 -8.193 380 HA VAL 53 HA VAL 53 1.135 -2.489 -10.649 381 HB VAL 53 HB VAL 53 -0.408 -3.776 -8.391 382 1HG1 VAL 53 1HG1 VAL 53 -2.145 -3.344 -10.582 383 2HG1 VAL 53 2HG1 VAL 53 -1.378 -1.790 -10.251 384 3HG1 VAL 53 3HG1 VAL 53 -2.258 -2.629 -8.973 385 1HG2 VAL 53 1HG2 VAL 53 -0.813 -4.671 -11.160 386 2HG2 VAL 53 2HG2 VAL 53 -0.358 -5.608 -9.733 387 3HG2 VAL 53 3HG2 VAL 53 0.878 -4.752 -10.657 388 H TRP 54 H TRP 54 1.054 -1.732 -7.220 389 HA TRP 54 HA TRP 54 -0.429 0.764 -7.527 390 1HB TRP 54 2HB TRP 54 -0.522 -0.254 -5.381 391 2HB TRP 54 1HB TRP 54 1.221 -0.547 -5.354 392 HD1 TRP 54 HD1 TRP 54 2.807 1.686 -5.190 393 HE1 TRP 54 HE1 TRP 54 2.387 3.923 -4.025 394 HE3 TRP 54 HE3 TRP 54 -2.244 1.395 -4.564 395 HZ2 TRP 54 HZ2 TRP 54 0.183 5.401 -2.919 396 HZ3 TRP 54 HZ3 TRP 54 -3.482 3.223 -3.429 397 HH2 TRP 54 HH2 TRP 54 -2.276 5.218 -2.614 398 H GLU 55 H GLU 55 3.012 0.024 -6.756 399 HA GLU 55 HA GLU 55 3.993 2.648 -6.843 400 1HB GLU 55 2HB GLU 55 5.241 0.041 -7.739 401 2HB GLU 55 1HB GLU 55 6.146 1.523 -7.415 402 1HG GLU 55 2HG GLU 55 4.256 0.537 -5.324 403 2HG GLU 55 1HG GLU 55 5.798 -0.300 -5.513 404 H LEU 56 H LEU 56 4.063 0.351 -9.592 405 HA LEU 56 HA LEU 56 4.825 2.284 -11.550 406 1HB LEU 56 2HB LEU 56 3.117 -0.223 -11.806 407 2HB LEU 56 1HB LEU 56 3.967 0.574 -13.130 408 HG LEU 56 HG LEU 56 5.590 -0.174 -10.743 409 1HD1 LEU 56 1HD1 LEU 56 5.239 -2.320 -12.761 410 2HD1 LEU 56 2HD1 LEU 56 3.884 -2.081 -11.657 411 3HD1 LEU 56 3HD1 LEU 56 5.488 -2.442 -11.018 412 1HD2 LEU 56 1HD2 LEU 56 6.428 -0.893 -13.486 413 2HD2 LEU 56 2HD2 LEU 56 7.304 0.007 -12.249 414 3HD2 LEU 56 3HD2 LEU 56 6.109 0.825 -13.255 415 H SER 57 H SER 57 1.891 1.810 -9.825 416 HA SER 57 HA SER 57 0.181 3.194 -11.807 417 1HB SER 57 2HB SER 57 -0.955 1.479 -10.730 418 2HB SER 57 1HB SER 57 -0.121 1.745 -9.203 419 HG SER 57 HG SER 57 -1.952 3.575 -10.368 420 H ASP 58 H ASP 58 1.574 3.702 -8.570 421 HA ASP 58 HA ASP 58 0.374 6.251 -8.043 422 1HB ASP 58 2HB ASP 58 1.973 4.381 -6.765 423 2HB ASP 58 1HB ASP 58 3.048 5.771 -6.938 424 H ILE 59 H ILE 59 0.640 7.689 -9.807 425 HA ILE 59 HA ILE 59 3.170 8.068 -11.170 426 HB ILE 59 HB ILE 59 0.747 9.880 -10.958 427 1HG1 ILE 59 2HG1 ILE 59 0.280 7.446 -11.594 428 2HG1 ILE 59 1HG1 ILE 59 -0.222 8.650 -12.777 429 1HG2 ILE 59 1HG2 ILE 59 3.213 9.846 -12.566 430 2HG2 ILE 59 2HG2 ILE 59 2.110 11.178 -12.225 431 3HG2 ILE 59 3HG2 ILE 59 1.738 10.032 -13.515 432 1HD1 ILE 59 1HD1 ILE 59 0.899 6.917 -13.999 433 2HD1 ILE 59 2HD1 ILE 59 2.245 6.894 -12.857 434 3HD1 ILE 59 3HD1 ILE 59 2.018 8.279 -13.928 435 H ASP 60 H ASP 60 1.582 9.555 -8.392 436 HA ASP 60 HA ASP 60 3.834 11.505 -8.131 437 1HB ASP 60 2HB ASP 60 2.211 12.565 -6.504 438 2HB ASP 60 1HB ASP 60 1.616 12.475 -8.161 439 H HIS 61 H HIS 61 2.701 8.535 -6.950 440 HA HIS 61 HA HIS 61 3.272 7.227 -5.072 441 1HB HIS 61 2HB HIS 61 5.732 8.649 -4.424 442 2HB HIS 61 1HB HIS 61 5.529 7.025 -5.067 443 HD1 HIS 61 HD1 HIS 61 6.232 10.550 -6.077 444 HD2 HIS 61 HD2 HIS 61 5.669 6.862 -7.937 445 HE1 HIS 61 HE1 HIS 61 6.992 10.836 -8.476 446 H ASP 62 H ASP 62 1.470 9.163 -4.341 447 HA ASP 62 HA ASP 62 2.607 10.356 -1.836 448 1HB ASP 62 2HB ASP 62 0.644 11.879 -2.039 449 2HB ASP 62 1HB ASP 62 1.658 11.926 -3.482 450 H GLY 63 H GLY 63 1.473 7.547 -2.494 451 1HA GLY 63 2HA GLY 63 0.337 5.961 -1.169 452 2HA GLY 63 1HA GLY 63 -0.002 7.244 -0.007 453 H MET 64 H MET 64 -0.816 7.466 -3.445 454 HA MET 64 HA MET 64 -3.674 6.905 -2.834 455 1HB MET 64 2HB MET 64 -2.464 9.552 -3.599 456 2HB MET 64 1HB MET 64 -4.162 9.199 -3.905 457 1HG MET 64 2HG MET 64 -4.547 8.783 -1.550 458 2HG MET 64 1HG MET 64 -2.826 8.987 -1.201 459 1HE MET 64 1HE MET 64 -5.650 10.702 -0.070 460 2HE MET 64 2HE MET 64 -6.160 10.295 -1.706 461 3HE MET 64 3HE MET 64 -6.074 11.984 -1.213 462 H LEU 65 H LEU 65 -5.014 6.847 -4.790 463 HA LEU 65 HA LEU 65 -3.490 6.569 -7.360 464 1HB LEU 65 2HB LEU 65 -5.440 4.724 -5.979 465 2HB LEU 65 1HB LEU 65 -5.235 4.657 -7.728 466 HG LEU 65 HG LEU 65 -3.134 4.170 -5.607 467 1HD1 LEU 65 1HD1 LEU 65 -3.382 2.278 -7.803 468 2HD1 LEU 65 2HD1 LEU 65 -4.924 2.495 -6.973 469 3HD1 LEU 65 3HD1 LEU 65 -3.496 1.989 -6.067 470 1HD2 LEU 65 1HD2 LEU 65 -1.999 5.454 -7.274 471 2HD2 LEU 65 2HD2 LEU 65 -2.861 4.647 -8.584 472 3HD2 LEU 65 3HD2 LEU 65 -1.644 3.770 -7.655 473 H ASP 66 H ASP 66 -4.333 8.513 -8.275 474 HA ASP 66 HA ASP 66 -7.101 9.303 -7.975 475 1HB ASP 66 2HB ASP 66 -6.458 11.102 -9.387 476 2HB ASP 66 1HB ASP 66 -4.993 10.692 -8.498 477 H ARG 67 H ARG 67 -8.663 9.426 -9.763 478 HA ARG 67 HA ARG 67 -9.516 7.139 -10.939 479 1HB ARG 67 2HB ARG 67 -10.377 8.641 -12.807 480 2HB ARG 67 1HB ARG 67 -10.728 9.191 -11.170 481 1HG ARG 67 2HG ARG 67 -8.354 10.413 -11.520 482 2HG ARG 67 1HG ARG 67 -8.878 10.340 -13.201 483 1HD ARG 67 2HD ARG 67 -11.085 11.355 -12.466 484 2HD ARG 67 1HD ARG 67 -10.344 11.628 -10.877 485 HE ARG 67 HE ARG 67 -9.378 12.839 -13.433 486 1HH1 ARG 67 1HH2 ARG 67 -7.281 12.387 -11.296 487 2HH1 ARG 67 2HH2 ARG 67 -7.304 13.908 -10.464 488 1HH2 ARG 67 2HH1 ARG 67 -10.346 14.895 -11.809 489 2HH2 ARG 67 1HH1 ARG 67 -9.041 15.329 -10.755 490 H ASP 68 H ASP 68 -7.025 9.222 -12.422 491 HA ASP 68 HA ASP 68 -6.633 7.419 -14.690 492 1HB ASP 68 2HB ASP 68 -4.732 9.546 -13.688 493 2HB ASP 68 1HB ASP 68 -5.034 9.050 -15.353 494 H GLU 69 H GLU 69 -5.075 8.000 -11.577 495 HA GLU 69 HA GLU 69 -2.767 6.316 -12.011 496 1HB GLU 69 2HB GLU 69 -3.909 8.035 -10.036 497 2HB GLU 69 1HB GLU 69 -3.576 6.486 -9.259 498 1HG GLU 69 2HG GLU 69 -1.312 6.650 -9.581 499 2HG GLU 69 1HG GLU 69 -1.487 7.579 -11.069 500 H PHE 70 H PHE 70 -5.856 5.865 -10.319 501 HA PHE 70 HA PHE 70 -5.506 3.146 -9.545 502 1HB PHE 70 2HB PHE 70 -7.220 4.915 -8.842 503 2HB PHE 70 1HB PHE 70 -8.071 4.551 -10.341 504 HD1 PHE 70 HD1 PHE 70 -7.410 3.506 -6.948 505 HD2 PHE 70 HD2 PHE 70 -8.847 2.176 -10.770 506 HE1 PHE 70 HE1 PHE 70 -8.489 1.555 -5.863 507 HE2 PHE 70 HE2 PHE 70 -9.924 0.226 -9.686 508 HZ PHE 70 HZ PHE 70 -9.744 -0.082 -7.234 509 H ALA 71 H ALA 71 -5.959 4.593 -12.630 510 HA ALA 71 HA ALA 71 -7.293 2.310 -13.894 511 1HB ALA 71 1HB ALA 71 -7.194 4.878 -14.497 512 2HB ALA 71 2HB ALA 71 -7.232 3.686 -15.796 513 3HB ALA 71 3HB ALA 71 -5.701 4.426 -15.324 514 H VAL 72 H VAL 72 -3.996 3.664 -13.891 515 HA VAL 72 HA VAL 72 -2.768 1.707 -15.557 516 HB VAL 72 HB VAL 72 -1.675 3.240 -13.168 517 1HG1 VAL 72 1HG1 VAL 72 -0.461 1.276 -14.769 518 2HG1 VAL 72 2HG1 VAL 72 0.352 2.407 -13.689 519 3HG1 VAL 72 3HG1 VAL 72 0.139 2.814 -15.391 520 1HG2 VAL 72 1HG2 VAL 72 -1.477 4.036 -16.075 521 2HG2 VAL 72 2HG2 VAL 72 -1.226 5.039 -14.644 522 3HG2 VAL 72 3HG2 VAL 72 -2.856 4.524 -15.090 523 H ALA 73 H ALA 73 -3.692 1.686 -12.173 524 HA ALA 73 HA ALA 73 -2.270 -0.846 -11.599 525 1HB ALA 73 1HB ALA 73 -2.695 1.305 -10.141 526 2HB ALA 73 2HB ALA 73 -2.751 -0.289 -9.383 527 3HB ALA 73 3HB ALA 73 -4.250 0.536 -9.816 528 H MET 74 H MET 74 -5.206 -0.076 -13.069 529 HA MET 74 HA MET 74 -6.744 -2.242 -11.777 530 1HB MET 74 2HB MET 74 -7.175 -0.061 -13.781 531 2HB MET 74 1HB MET 74 -8.269 -1.443 -13.829 532 1HG MET 74 2HG MET 74 -7.668 -0.012 -11.245 533 2HG MET 74 1HG MET 74 -8.945 0.544 -12.328 534 1HE MET 74 1HE MET 74 -7.489 -1.546 -10.022 535 2HE MET 74 2HE MET 74 -8.169 -3.169 -10.127 536 3HE MET 74 3HE MET 74 -8.914 -1.977 -9.066 537 H PHE 75 H PHE 75 -5.440 -1.537 -15.026 538 HA PHE 75 HA PHE 75 -6.101 -4.207 -16.002 539 1HB PHE 75 2HB PHE 75 -5.309 -3.369 -18.040 540 2HB PHE 75 1HB PHE 75 -5.785 -1.885 -17.221 541 HD1 PHE 75 HD1 PHE 75 -2.899 -4.063 -18.070 542 HD2 PHE 75 HD2 PHE 75 -4.178 -0.248 -16.574 543 HE1 PHE 75 HE1 PHE 75 -0.575 -3.218 -18.247 544 HE2 PHE 75 HE2 PHE 75 -1.864 0.599 -16.752 545 HZ PHE 75 HZ PHE 75 -0.055 -0.888 -17.585 546 H LEU 76 H LEU 76 -3.475 -2.658 -14.347 547 HA LEU 76 HA LEU 76 -1.416 -4.611 -14.929 548 1HB LEU 76 2HB LEU 76 -1.921 -2.318 -13.098 549 2HB LEU 76 1HB LEU 76 -0.698 -3.477 -12.578 550 HG LEU 76 HG LEU 76 -0.725 -2.240 -15.339 551 1HD1 LEU 76 1HD1 LEU 76 1.319 -1.385 -13.385 552 2HD1 LEU 76 2HD1 LEU 76 -0.313 -0.813 -13.041 553 3HD1 LEU 76 3HD1 LEU 76 0.445 -0.436 -14.588 554 1HD2 LEU 76 1HD2 LEU 76 0.568 -4.230 -15.338 555 2HD2 LEU 76 2HD2 LEU 76 1.206 -3.912 -13.725 556 3HD2 LEU 76 3HD2 LEU 76 1.751 -2.944 -15.095 557 H VAL 77 H VAL 77 -4.089 -4.351 -12.715 558 HA VAL 77 HA VAL 77 -3.193 -6.637 -11.057 559 HB VAL 77 HB VAL 77 -5.436 -4.614 -11.067 560 1HG1 VAL 77 1HG1 VAL 77 -6.446 -6.820 -10.507 561 2HG1 VAL 77 2HG1 VAL 77 -6.419 -5.745 -9.110 562 3HG1 VAL 77 3HG1 VAL 77 -5.234 -7.043 -9.245 563 1HG2 VAL 77 1HG2 VAL 77 -2.904 -4.986 -9.739 564 2HG2 VAL 77 2HG2 VAL 77 -4.193 -4.990 -8.536 565 3HG2 VAL 77 3HG2 VAL 77 -4.010 -3.619 -9.628 566 H TYR 78 H TYR 78 -5.313 -5.946 -13.746 567 HA TYR 78 HA TYR 78 -6.866 -8.432 -13.460 568 1HB TYR 78 2HB TYR 78 -6.834 -5.963 -15.046 569 2HB TYR 78 1HB TYR 78 -7.247 -7.384 -16.005 570 HD1 TYR 78 HD1 TYR 78 -8.583 -4.862 -13.995 571 HD2 TYR 78 HD2 TYR 78 -8.910 -9.085 -14.719 572 HE1 TYR 78 HE1 TYR 78 -10.865 -4.849 -13.024 573 HE2 TYR 78 HE2 TYR 78 -11.194 -9.070 -13.747 574 HH TYR 78 HH TYR 78 -13.008 -6.417 -13.344 575 H CYS 79 H CYS 79 -4.012 -7.290 -15.123 576 HA CYS 79 HA CYS 79 -3.896 -9.526 -17.017 577 1HB CYS 79 2HB CYS 79 -2.445 -7.038 -16.356 578 2HB CYS 79 1HB CYS 79 -1.417 -8.337 -16.961 579 HG CYS 79 HG CYS 79 -3.703 -6.969 -18.563 580 H ALA 80 H ALA 80 -2.962 -8.936 -13.743 581 HA ALA 80 HA ALA 80 -0.856 -10.999 -13.723 582 1HB ALA 80 1HB ALA 80 -2.003 -8.931 -11.930 583 2HB ALA 80 2HB ALA 80 -0.319 -9.403 -12.161 584 3HB ALA 80 3HB ALA 80 -1.370 -10.366 -11.122 585 H LEU 81 H LEU 81 -4.221 -10.889 -13.607 586 HA LEU 81 HA LEU 81 -4.559 -13.226 -11.827 587 1HB LEU 81 2HB LEU 81 -6.648 -11.932 -13.574 588 2HB LEU 81 1HB LEU 81 -6.858 -12.683 -11.993 589 HG LEU 81 HG LEU 81 -5.725 -9.988 -12.678 590 1HD1 LEU 81 1HD1 LEU 81 -8.040 -9.946 -12.147 591 2HD1 LEU 81 2HD1 LEU 81 -7.224 -9.431 -10.671 592 3HD1 LEU 81 3HD1 LEU 81 -7.832 -11.080 -10.813 593 1HD2 LEU 81 1HD2 LEU 81 -5.195 -10.015 -10.083 594 2HD2 LEU 81 2HD2 LEU 81 -4.015 -10.643 -11.233 595 3HD2 LEU 81 3HD2 LEU 81 -5.057 -11.754 -10.345 596 H GLU 82 H GLU 82 -5.025 -12.320 -15.231 597 HA GLU 82 HA GLU 82 -5.801 -14.965 -16.097 598 1HB GLU 82 2HB GLU 82 -5.005 -12.349 -17.314 599 2HB GLU 82 1HB GLU 82 -5.024 -13.775 -18.351 600 1HG GLU 82 2HG GLU 82 -7.401 -13.785 -16.746 601 2HG GLU 82 1HG GLU 82 -7.243 -12.203 -17.510 602 H LYS 83 H LYS 83 -2.780 -13.091 -16.464 603 HA LYS 83 HA LYS 83 -1.052 -15.319 -15.947 604 1HB LYS 83 2HB LYS 83 -2.304 -15.899 -18.142 605 2HB LYS 83 1HB LYS 83 -1.272 -14.680 -18.882 606 1HG LYS 83 2HG LYS 83 0.687 -15.893 -18.462 607 2HG LYS 83 1HG LYS 83 -0.063 -16.846 -17.182 608 1HD LYS 83 2HD LYS 83 -0.555 -18.449 -18.678 609 2HD LYS 83 1HD LYS 83 -1.560 -17.298 -19.561 610 1HE LYS 83 2HE LYS 83 1.373 -17.026 -19.979 611 2HE LYS 83 1HE LYS 83 0.611 -18.469 -20.677 612 1HZ LYS 83 1HZ LYS 83 0.403 -16.660 -22.227 613 2HZ LYS 83 2HZ LYS 83 -0.268 -15.652 -21.034 614 3HZ LYS 83 3HZ LYS 83 -1.130 -17.006 -21.592 615 H GLU 84 H GLU 84 -1.513 -12.246 -17.624 616 HA GLU 84 HA GLU 84 1.245 -11.598 -18.054 617 1HB GLU 84 2HB GLU 84 -1.367 -10.131 -17.843 618 2HB GLU 84 1HB GLU 84 0.131 -9.206 -17.956 619 1HG GLU 84 2HG GLU 84 0.460 -11.136 -19.911 620 2HG GLU 84 1HG GLU 84 -1.259 -10.758 -20.019 621 HA PRO 85 HA PRO 85 2.087 -10.974 -13.673 622 1HB PRO 85 2HB PRO 85 4.805 -10.828 -13.979 623 2HB PRO 85 1HB PRO 85 3.920 -12.366 -13.907 624 1HG PRO 85 2HG PRO 85 4.981 -10.902 -16.269 625 2HG PRO 85 1HG PRO 85 4.927 -12.642 -15.948 626 1HD PRO 85 2HD PRO 85 3.174 -11.357 -17.600 627 2HD PRO 85 1HD PRO 85 2.789 -12.852 -16.721 628 H VAL 86 H VAL 86 3.974 -9.242 -12.782 629 HA VAL 86 HA VAL 86 3.660 -6.737 -14.390 630 HB VAL 86 HB VAL 86 3.095 -7.133 -11.435 631 1HG1 VAL 86 1HG1 VAL 86 3.637 -4.919 -11.405 632 2HG1 VAL 86 2HG1 VAL 86 2.045 -4.712 -12.138 633 3HG1 VAL 86 3HG1 VAL 86 3.485 -4.759 -13.156 634 1HG2 VAL 86 1HG2 VAL 86 1.321 -6.761 -13.860 635 2HG2 VAL 86 2HG2 VAL 86 0.752 -6.468 -12.216 636 3HG2 VAL 86 3HG2 VAL 86 1.290 -8.080 -12.689 637 HA PRO 87 HA PRO 87 7.922 -6.560 -13.063 638 1HB PRO 87 2HB PRO 87 8.659 -4.561 -14.769 639 2HB PRO 87 1HB PRO 87 8.442 -6.240 -15.300 640 1HG PRO 87 2HG PRO 87 6.726 -3.892 -15.742 641 2HG PRO 87 1HG PRO 87 6.891 -5.369 -16.700 642 1HD PRO 87 2HD PRO 87 4.822 -4.734 -14.879 643 2HD PRO 87 1HD PRO 87 5.095 -6.289 -15.693 644 H MET 88 H MET 88 9.366 -4.372 -12.614 645 HA MET 88 HA MET 88 7.619 -2.641 -10.895 646 1HB MET 88 2HB MET 88 10.611 -3.023 -10.755 647 2HB MET 88 1HB MET 88 9.543 -2.395 -9.503 648 1HG MET 88 2HG MET 88 8.637 -4.526 -9.035 649 2HG MET 88 1HG MET 88 9.189 -5.195 -10.569 650 1HE MET 88 1HE MET 88 11.056 -4.265 -6.720 651 2HE MET 88 2HE MET 88 10.215 -3.143 -7.787 652 3HE MET 88 3HE MET 88 11.974 -3.237 -7.830 653 H SER 89 H SER 89 8.785 -2.481 -13.892 654 HA SER 89 HA SER 89 9.968 0.245 -13.563 655 1HB SER 89 2HB SER 89 10.127 -1.872 -15.698 656 2HB SER 89 1HB SER 89 10.769 -0.247 -15.913 657 HG SER 89 HG SER 89 11.439 -1.974 -13.762 658 H LEU 90 H LEU 90 8.234 1.591 -13.627 659 HA LEU 90 HA LEU 90 5.856 1.382 -15.137 660 1HB LEU 90 2HB LEU 90 7.214 3.263 -13.519 661 2HB LEU 90 1HB LEU 90 6.840 4.103 -15.024 662 HG LEU 90 HG LEU 90 4.841 2.535 -13.374 663 1HD1 LEU 90 1HD1 LEU 90 5.459 4.550 -12.184 664 2HD1 LEU 90 2HD1 LEU 90 3.892 4.835 -12.942 665 3HD1 LEU 90 3HD1 LEU 90 5.356 5.509 -13.660 666 1HD2 LEU 90 1HD2 LEU 90 4.636 4.205 -15.892 667 2HD2 LEU 90 2HD2 LEU 90 3.232 3.778 -14.914 668 3HD2 LEU 90 3HD2 LEU 90 4.190 2.511 -15.682 669 HA PRO 91 HA PRO 91 7.929 1.664 -19.144 670 1HB PRO 91 2HB PRO 91 5.743 0.852 -20.580 671 2HB PRO 91 1HB PRO 91 6.829 -0.285 -19.754 672 1HG PRO 91 2HG PRO 91 4.190 0.782 -18.879 673 2HG PRO 91 1HG PRO 91 4.826 -0.866 -18.763 674 1HD PRO 91 2HD PRO 91 4.778 0.831 -16.657 675 2HD PRO 91 1HD PRO 91 6.049 -0.395 -16.868 676 HA PRO 92 HA PRO 92 6.301 5.495 -20.496 677 1HB PRO 92 2HB PRO 92 6.569 5.383 -23.215 678 2HB PRO 92 1HB PRO 92 7.951 5.543 -22.114 679 1HG PRO 92 2HG PRO 92 6.951 3.152 -23.556 680 2HG PRO 92 1HG PRO 92 8.609 3.618 -23.151 681 1HD PRO 92 2HD PRO 92 7.127 1.723 -21.793 682 2HD PRO 92 1HD PRO 92 8.526 2.590 -21.123 683 H ALA 93 H ALA 93 4.813 2.625 -21.795 684 HA ALA 93 HA ALA 93 2.563 4.058 -23.022 685 1HB ALA 93 1HB ALA 93 3.190 1.160 -22.376 686 2HB ALA 93 2HB ALA 93 3.325 1.949 -23.946 687 3HB ALA 93 3HB ALA 93 1.736 1.667 -23.235 688 H LEU 94 H LEU 94 3.468 3.688 -19.900 689 HA LEU 94 HA LEU 94 0.690 3.210 -18.904 690 1HB LEU 94 2HB LEU 94 3.434 2.483 -18.070 691 2HB LEU 94 1HB LEU 94 2.371 2.978 -16.754 692 HG LEU 94 HG LEU 94 2.155 0.584 -17.046 693 1HD1 LEU 94 1HD1 LEU 94 0.015 2.446 -17.345 694 2HD1 LEU 94 2HD1 LEU 94 -0.037 0.833 -16.636 695 3HD1 LEU 94 3HD1 LEU 94 -0.345 1.048 -18.359 696 1HD2 LEU 94 1HD2 LEU 94 0.978 0.184 -19.522 697 2HD2 LEU 94 2HD2 LEU 94 2.650 -0.188 -19.118 698 3HD2 LEU 94 3HD2 LEU 94 2.251 1.353 -19.875 699 H VAL 95 H VAL 95 2.525 5.780 -19.681 700 HA VAL 95 HA VAL 95 1.707 7.328 -17.240 701 HB VAL 95 HB VAL 95 4.089 7.678 -19.085 702 1HG1 VAL 95 1HG1 VAL 95 3.232 9.139 -16.570 703 2HG1 VAL 95 2HG1 VAL 95 3.343 9.817 -18.195 704 3HG1 VAL 95 3HG1 VAL 95 4.807 9.324 -17.344 705 1HG2 VAL 95 1HG2 VAL 95 5.315 6.452 -17.606 706 2HG2 VAL 95 2HG2 VAL 95 3.752 5.787 -17.128 707 3HG2 VAL 95 3HG2 VAL 95 4.463 7.115 -16.209 708 HA PRO 96 HA PRO 96 -0.582 9.368 -20.547 709 1HB PRO 96 2HB PRO 96 -2.356 10.603 -18.870 710 2HB PRO 96 1HB PRO 96 -2.529 8.909 -19.372 711 1HG PRO 96 2HG PRO 96 -1.504 10.029 -16.818 712 2HG PRO 96 1HG PRO 96 -2.479 8.580 -17.105 713 1HD PRO 96 2HD PRO 96 0.221 8.547 -16.619 714 2HD PRO 96 1HD PRO 96 -0.652 7.276 -17.503 715 HA PRO 97 HA PRO 97 1.223 13.372 -20.232 716 1HB PRO 97 2HB PRO 97 -0.704 15.018 -21.272 717 2HB PRO 97 1HB PRO 97 0.261 13.912 -22.271 718 1HG PRO 97 2HG PRO 97 -2.517 13.601 -21.249 719 2HG PRO 97 1HG PRO 97 -1.835 13.150 -22.820 720 1HD PRO 97 2HD PRO 97 -2.297 11.359 -20.819 721 2HD PRO 97 1HD PRO 97 -1.022 11.152 -22.040 722 H SER 98 H SER 98 0.735 15.678 -19.367 723 HA SER 98 HA SER 98 -0.117 17.106 -17.684 724 1HB SER 98 2HB SER 98 -2.274 15.704 -18.247 725 2HB SER 98 1HB SER 98 -1.909 14.887 -16.730 726 HG SER 98 HG SER 98 -1.798 17.070 -15.817 727 H LYS 99 H LYS 99 0.614 13.732 -16.939 728 HA LYS 99 HA LYS 99 1.475 14.426 -14.204 729 1HB LYS 99 2HB LYS 99 1.600 11.864 -15.840 730 2HB LYS 99 1HB LYS 99 1.915 11.987 -14.109 731 1HG LYS 99 2HG LYS 99 -0.647 13.175 -14.921 732 2HG LYS 99 1HG LYS 99 -0.544 11.440 -15.228 733 1HD LYS 99 2HD LYS 99 0.009 10.990 -12.923 734 2HD LYS 99 1HD LYS 99 0.181 12.711 -12.575 735 1HE LYS 99 2HE LYS 99 -2.374 12.595 -13.616 736 2HE LYS 99 1HE LYS 99 -2.263 11.079 -12.698 737 1HZ LYS 99 1HZ LYS 99 -2.830 13.318 -11.491 738 2HZ LYS 99 2HZ LYS 99 -1.143 13.521 -11.522 739 3HZ LYS 99 3HZ LYS 99 -1.825 12.168 -10.753 740 H ARG 100 H ARG 100 2.718 14.821 -17.261 741 HA ARG 100 HA ARG 100 5.371 13.790 -17.144 742 1HB ARG 100 2HB ARG 100 3.875 15.965 -18.521 743 2HB ARG 100 1HB ARG 100 5.634 16.091 -18.550 744 1HG ARG 100 2HG ARG 100 4.591 14.786 -20.479 745 2HG ARG 100 1HG ARG 100 5.865 13.950 -19.590 746 1HD ARG 100 2HD ARG 100 4.144 12.771 -18.242 747 2HD ARG 100 1HD ARG 100 2.875 13.578 -19.185 748 HE ARG 100 HE ARG 100 3.462 12.234 -21.064 749 1HH1 ARG 100 1HH2 ARG 100 5.983 12.264 -18.733 750 2HH1 ARG 100 2HH2 ARG 100 6.715 10.801 -19.304 751 1HH2 ARG 100 2HH1 ARG 100 4.288 10.210 -21.707 752 2HH2 ARG 100 1HH1 ARG 100 5.756 9.639 -20.988 753 H SER 107 1H SER 107 7.958 2.704 -0.587 754 HA SER 107 HA SER 107 8.032 3.551 1.819 755 1HB SER 107 2HB SER 107 8.911 5.621 2.029 756 2HB SER 107 1HB SER 107 9.204 5.651 0.295 757 HG SER 107 HG SER 107 7.295 6.910 1.781 758 H THR 108 H THR 108 6.572 5.389 -0.906 759 HA THR 108 HA THR 108 3.919 5.308 0.274 760 HB THR 108 HB THR 108 4.732 7.098 -1.222 761 HG1 THR 108 HG1 THR 108 2.439 6.017 -1.278 762 1HG2 THR 108 1HG2 THR 108 4.469 5.575 -3.701 763 2HG2 THR 108 2HG2 THR 108 5.790 4.991 -2.691 764 3HG2 THR 108 3HG2 THR 108 5.747 6.680 -3.195 765 H ASN 109 H ASN 109 4.178 2.792 0.520 766 HA ASN 109 HA ASN 109 2.680 1.544 -1.714 767 1HB ASN 109 2HB ASN 109 4.988 1.231 -2.346 768 2HB ASN 109 1HB ASN 109 5.419 0.711 -0.716 769 1HD2 ASN 109 1HD2 ASN 109 5.048 -0.570 -3.677 770 2HD2 ASN 109 2HD2 ASN 109 4.417 -2.094 -3.284 771 HA PRO 110 HA PRO 110 1.077 0.146 2.290 772 1HB PRO 110 2HB PRO 110 -1.451 -0.317 1.350 773 2HB PRO 110 1HB PRO 110 -0.875 1.297 1.814 774 1HG PRO 110 2HG PRO 110 -1.141 0.091 -0.887 775 2HG PRO 110 1HG PRO 110 -1.474 1.740 -0.352 776 1HD PRO 110 2HD PRO 110 0.794 1.029 -1.690 777 2HD PRO 110 1HD PRO 110 0.709 2.394 -0.558 778 H PHE 111 H PHE 111 1.963 -1.504 -0.456 779 HA PHE 111 HA PHE 111 0.680 -4.071 0.402 780 1HB PHE 111 2HB PHE 111 2.289 -3.583 -2.116 781 2HB PHE 111 1HB PHE 111 1.049 -4.807 -1.830 782 HD1 PHE 111 HD1 PHE 111 1.627 -1.161 -2.254 783 HD2 PHE 111 HD2 PHE 111 -1.278 -4.331 -2.215 784 HE1 PHE 111 HE1 PHE 111 -0.098 0.393 -3.112 785 HE2 PHE 111 HE2 PHE 111 -2.991 -2.764 -3.065 786 HZ PHE 111 HZ PHE 111 -2.398 -0.399 -3.511 787 H ARG 112 HN ARG 112 3.796 -3.212 -1.088 788 HA ARG 112 HA ARG 112 5.303 -5.326 -0.030 789 1HB ARG 112 2HB ARG 112 5.725 -2.690 -1.237 790 2HB ARG 112 1HB ARG 112 7.041 -3.165 -0.161 791 1HG ARG 112 2HG ARG 112 6.725 -5.493 -1.455 792 2HG ARG 112 1HG ARG 112 6.141 -4.408 -2.717 793 1HD ARG 112 2HD ARG 112 8.506 -4.602 -3.085 794 2HD ARG 112 1HD ARG 112 8.288 -3.033 -2.283 795 HE ARG 112 HE ARG 112 8.655 -4.484 -0.109 796 1HH1 ARG 112 1HH2 ARG 112 9.489 -6.601 -2.348 797 2HH1 ARG 112 2HH2 ARG 112 11.202 -6.583 -2.094 798 1HH2 ARG 112 1HH1 ARG 112 11.153 -3.727 -0.130 799 2HH2 ARG 112 2HH1 ARG 112 12.144 -4.958 -0.841 Start of MODEL 4 1 HA PRO 6 HA PRO 6 -0.802 5.917 -26.840 2 1HB PRO 6 2HB PRO 6 -2.613 3.866 -26.953 3 2HB PRO 6 1HB PRO 6 -2.028 4.714 -28.398 4 1HG PRO 6 2HG PRO 6 -1.206 2.077 -27.291 5 2HG PRO 6 1HG PRO 6 -1.419 2.577 -28.976 6 1HD PRO 6 1HD PRO 6 0.682 3.474 -29.114 7 2HD PRO 6 2HD PRO 6 1.017 2.365 -27.765 8 H TRP 7 H TRP 7 -2.658 5.326 -25.080 9 HA TRP 7 HA TRP 7 -1.182 4.514 -22.653 10 1HB TRP 7 2HB TRP 7 -2.657 6.567 -22.894 11 2HB TRP 7 1HB TRP 7 -4.043 5.477 -23.012 12 HD1 TRP 7 HD1 TRP 7 -1.264 4.369 -20.797 13 HE1 TRP 7 HE1 TRP 7 -1.977 4.526 -18.338 14 HE3 TRP 7 HE3 TRP 7 -5.589 7.004 -21.331 15 HZ2 TRP 7 HZ2 TRP 7 -4.108 5.654 -16.780 16 HZ3 TRP 7 HZ3 TRP 7 -6.944 7.617 -19.342 17 HH2 TRP 7 HH2 TRP 7 -6.209 6.943 -17.072 18 H ALA 8 H ALA 8 -1.275 2.408 -21.999 19 HA ALA 8 HA ALA 8 -2.745 0.320 -23.161 20 1HB ALA 8 1HB ALA 8 -2.377 -0.681 -20.768 21 2HB ALA 8 2HB ALA 8 -1.546 0.842 -20.448 22 3HB ALA 8 3HB ALA 8 -0.963 -0.233 -21.724 23 H VAL 9 H VAL 9 -3.767 2.720 -20.834 24 HA VAL 9 HA VAL 9 -6.274 1.214 -20.252 25 HB VAL 9 HB VAL 9 -5.079 3.788 -19.186 26 1HG1 VAL 9 1HG1 VAL 9 -6.993 2.647 -17.420 27 2HG1 VAL 9 2HG1 VAL 9 -7.745 2.738 -19.013 28 3HG1 VAL 9 3HG1 VAL 9 -7.090 4.194 -18.264 29 1HG2 VAL 9 1HG2 VAL 9 -3.883 1.625 -18.666 30 2HG2 VAL 9 2HG2 VAL 9 -5.359 1.066 -17.878 31 3HG2 VAL 9 3HG2 VAL 9 -4.495 2.467 -17.243 32 H LYS 10 H LYS 10 -7.938 1.553 -21.640 33 HA LYS 10 HA LYS 10 -8.081 4.059 -23.226 34 1HB LYS 10 2HB LYS 10 -8.831 1.274 -23.450 35 2HB LYS 10 1HB LYS 10 -10.235 2.296 -23.753 36 1HG LYS 10 2HG LYS 10 -8.769 3.650 -25.328 37 2HG LYS 10 1HG LYS 10 -7.557 2.379 -25.161 38 1HD LYS 10 2HD LYS 10 -8.732 0.913 -26.447 39 2HD LYS 10 1HD LYS 10 -10.282 1.414 -25.770 40 1HE LYS 10 2HE LYS 10 -10.385 2.165 -28.023 41 2HE LYS 10 1HE LYS 10 -9.894 3.617 -27.129 42 1HZ LYS 10 1HZ LYS 10 -7.534 2.726 -27.475 43 2HZ LYS 10 2HZ LYS 10 -8.305 3.455 -28.801 44 3HZ LYS 10 3HZ LYS 10 -8.211 1.763 -28.695 45 HA PRO 11 HA PRO 11 -11.504 5.803 -21.075 46 1HB PRO 11 2HB PRO 11 -13.580 5.948 -22.863 47 2HB PRO 11 1HB PRO 11 -12.167 7.020 -22.927 48 1HG PRO 11 2HG PRO 11 -12.757 4.566 -24.515 49 2HG PRO 11 1HG PRO 11 -12.049 6.104 -25.038 50 1HD PRO 11 2HD PRO 11 -10.551 3.908 -24.582 51 2HD PRO 11 1HD PRO 11 -9.946 5.550 -24.275 52 H GLU 12 H GLU 12 -12.366 2.897 -22.902 53 HA GLU 12 HA GLU 12 -14.714 2.257 -21.309 54 1HB GLU 12 2HB GLU 12 -14.700 0.247 -22.633 55 2HB GLU 12 1HB GLU 12 -14.131 1.537 -23.692 56 1HG GLU 12 2HG GLU 12 -11.761 0.873 -22.957 57 2HG GLU 12 1HG GLU 12 -12.497 -0.590 -22.303 58 H ASP 13 H ASP 13 -11.277 1.455 -21.173 59 HA ASP 13 HA ASP 13 -11.617 -0.528 -19.036 60 1HB ASP 13 2HB ASP 13 -9.342 0.812 -20.498 61 2HB ASP 13 1HB ASP 13 -9.025 -0.176 -19.071 62 H LYS 14 H LYS 14 -10.660 2.852 -19.392 63 HA LYS 14 HA LYS 14 -9.966 3.229 -16.597 64 1HB LYS 14 2HB LYS 14 -9.240 4.530 -18.714 65 2HB LYS 14 1HB LYS 14 -10.802 5.338 -18.590 66 1HG LYS 14 2HG LYS 14 -9.799 5.440 -15.994 67 2HG LYS 14 1HG LYS 14 -8.386 5.742 -17.005 68 1HD LYS 14 2HD LYS 14 -10.112 7.327 -18.291 69 2HD LYS 14 1HD LYS 14 -10.881 7.355 -16.704 70 1HE LYS 14 2HE LYS 14 -9.111 8.476 -15.716 71 2HE LYS 14 1HE LYS 14 -7.915 7.770 -16.820 72 1HZ LYS 14 1HZ LYS 14 -9.882 9.910 -17.383 73 2HZ LYS 14 2HZ LYS 14 -9.132 9.030 -18.628 74 3HZ LYS 14 3HZ LYS 14 -8.195 9.965 -17.561 75 H ALA 15 H ALA 15 -12.880 3.024 -18.384 76 HA ALA 15 HA ALA 15 -14.524 4.736 -16.677 77 1HB ALA 15 1HB ALA 15 -16.274 3.151 -17.966 78 2HB ALA 15 2HB ALA 15 -14.848 2.804 -18.943 79 3HB ALA 15 3HB ALA 15 -15.435 4.461 -18.797 80 H LYS 16 H LYS 16 -13.820 1.259 -16.961 81 HA LYS 16 HA LYS 16 -15.594 0.520 -14.768 82 1HB LYS 16 2HB LYS 16 -15.050 -1.607 -15.455 83 2HB LYS 16 1HB LYS 16 -14.465 -0.755 -16.880 84 1HG LYS 16 2HG LYS 16 -12.207 -0.735 -16.012 85 2HG LYS 16 1HG LYS 16 -12.751 -1.404 -14.474 86 1HD LYS 16 2HD LYS 16 -11.910 -3.284 -15.639 87 2HD LYS 16 1HD LYS 16 -13.655 -3.380 -15.879 88 1HE LYS 16 2HE LYS 16 -13.083 -1.885 -18.021 89 2HE LYS 16 1HE LYS 16 -11.512 -2.697 -17.851 90 1HZ LYS 16 1HZ LYS 16 -13.553 -3.840 -19.077 91 2HZ LYS 16 2HZ LYS 16 -13.906 -4.328 -17.489 92 3HZ LYS 16 3HZ LYS 16 -12.414 -4.734 -18.194 93 H TYR 17 H TYR 17 -12.321 1.617 -15.161 94 HA TYR 17 HA TYR 17 -11.313 0.774 -12.562 95 1HB TYR 17 2HB TYR 17 -10.492 2.946 -14.528 96 2HB TYR 17 1HB TYR 17 -9.522 2.427 -13.154 97 HD1 TYR 17 HD1 TYR 17 -11.202 -0.425 -14.239 98 HD2 TYR 17 HD2 TYR 17 -7.991 2.179 -15.391 99 HE1 TYR 17 HE1 TYR 17 -10.227 -2.236 -15.624 100 HE2 TYR 17 HE2 TYR 17 -7.001 0.367 -16.767 101 HH TYR 17 HH TYR 17 -8.436 -2.048 -17.911 102 H ASP 18 H ASP 18 -12.883 3.628 -13.923 103 HA ASP 18 HA ASP 18 -12.588 5.338 -11.611 104 1HB ASP 18 2HB ASP 18 -13.080 5.998 -13.997 105 2HB ASP 18 1HB ASP 18 -14.700 5.332 -13.800 106 H ALA 19 H ALA 19 -14.759 2.729 -12.423 107 HA ALA 19 HA ALA 19 -16.828 3.472 -10.485 108 1HB ALA 19 1HB ALA 19 -16.913 2.024 -12.680 109 2HB ALA 19 2HB ALA 19 -17.883 1.526 -11.293 110 3HB ALA 19 3HB ALA 19 -16.348 0.725 -11.630 111 H ILE 20 H ILE 20 -13.914 1.528 -10.620 112 HA ILE 20 HA ILE 20 -14.344 0.277 -8.007 113 HB ILE 20 HB ILE 20 -12.083 0.451 -10.021 114 1HG1 ILE 20 2HG1 ILE 20 -13.438 -2.087 -9.215 115 2HG1 ILE 20 1HG1 ILE 20 -14.343 -0.968 -10.237 116 1HG2 ILE 20 1HG2 ILE 20 -12.139 -1.408 -7.655 117 2HG2 ILE 20 2HG2 ILE 20 -11.416 0.195 -7.539 118 3HG2 ILE 20 3HG2 ILE 20 -10.777 -0.979 -8.689 119 1HD1 ILE 20 1HD1 ILE 20 -12.523 -2.822 -11.160 120 2HD1 ILE 20 2HD1 ILE 20 -11.555 -1.349 -11.094 121 3HD1 ILE 20 3HD1 ILE 20 -13.037 -1.388 -12.046 122 H PHE 21 H PHE 21 -12.547 2.945 -9.455 123 HA PHE 21 HA PHE 21 -11.065 3.649 -7.070 124 1HB PHE 21 2HB PHE 21 -10.037 4.528 -8.924 125 2HB PHE 21 1HB PHE 21 -11.548 4.624 -9.824 126 HD1 PHE 21 HD1 PHE 21 -9.155 6.429 -7.779 127 HD2 PHE 21 HD2 PHE 21 -13.153 6.514 -9.347 128 HE1 PHE 21 HE1 PHE 21 -9.289 8.862 -7.312 129 HE2 PHE 21 HE2 PHE 21 -13.288 8.943 -8.877 130 HZ PHE 21 HZ PHE 21 -11.358 10.117 -7.858 131 H ASP 22 H ASP 22 -14.122 4.610 -8.537 132 HA ASP 22 HA ASP 22 -14.668 6.649 -6.485 133 1HB ASP 22 2HB ASP 22 -15.277 6.886 -8.888 134 2HB ASP 22 1HB ASP 22 -16.351 5.495 -8.730 135 H SER 23 H SER 23 -14.836 3.316 -6.588 136 HA SER 23 HA SER 23 -17.402 3.006 -5.155 137 1HB SER 23 2HB SER 23 -15.439 1.388 -6.576 138 2HB SER 23 1HB SER 23 -15.867 0.649 -5.036 139 HG SER 23 HG SER 23 -17.433 -0.035 -6.361 140 H LEU 24 H LEU 24 -14.213 3.832 -4.437 141 HA LEU 24 HA LEU 24 -14.302 2.759 -1.654 142 1HB LEU 24 2HB LEU 24 -12.018 4.282 -2.873 143 2HB LEU 24 1HB LEU 24 -11.971 2.942 -1.732 144 HG LEU 24 HG LEU 24 -12.877 2.628 -4.602 145 1HD1 LEU 24 1HD1 LEU 24 -10.294 1.473 -4.001 146 2HD1 LEU 24 2HD1 LEU 24 -10.272 3.210 -3.703 147 3HD1 LEU 24 3HD1 LEU 24 -10.733 2.591 -5.290 148 1HD2 LEU 24 1HD2 LEU 24 -13.622 0.830 -3.189 149 2HD2 LEU 24 2HD2 LEU 24 -12.055 0.746 -2.379 150 3HD2 LEU 24 3HD2 LEU 24 -12.207 0.232 -4.059 151 H SER 25 H SER 25 -14.790 5.564 -3.532 152 HA SER 25 HA SER 25 -15.664 7.674 -2.790 153 1HB SER 25 2HB SER 25 -14.492 7.132 -0.069 154 2HB SER 25 1HB SER 25 -15.899 8.105 -0.488 155 HG SER 25 HG SER 25 -15.763 5.510 0.149 156 HA PRO 26 HA PRO 26 -11.365 8.960 -3.518 157 1HB PRO 26 2HB PRO 26 -12.001 10.728 -5.496 158 2HB PRO 26 1HB PRO 26 -11.793 8.989 -5.784 159 1HG PRO 26 2HG PRO 26 -14.287 10.578 -5.519 160 2HG PRO 26 1HG PRO 26 -13.932 9.200 -6.571 161 1HD PRO 26 2HD PRO 26 -15.386 9.037 -4.248 162 2HD PRO 26 1HD PRO 26 -14.507 7.677 -4.975 163 H VAL 27 H VAL 27 -10.337 10.946 -3.009 164 HA VAL 27 HA VAL 27 -12.105 13.026 -1.762 165 HB VAL 27 HB VAL 27 -9.300 12.144 -0.990 166 1HG1 VAL 27 1HG1 VAL 27 -11.276 13.753 0.635 167 2HG1 VAL 27 2HG1 VAL 27 -10.122 14.523 -0.454 168 3HG1 VAL 27 3HG1 VAL 27 -9.545 13.559 0.906 169 1HG2 VAL 27 1HG2 VAL 27 -11.789 10.850 -0.554 170 2HG2 VAL 27 2HG2 VAL 27 -11.332 11.594 0.978 171 3HG2 VAL 27 3HG2 VAL 27 -10.234 10.464 0.184 172 H ASN 28 H ASN 28 -12.085 14.633 -3.337 173 HA ASN 28 HA ASN 28 -11.174 16.364 -4.669 174 1HB ASN 28 2HB ASN 28 -9.726 16.465 -2.542 175 2HB ASN 28 1HB ASN 28 -8.520 15.561 -3.458 176 1HD2 ASN 28 1HD2 ASN 28 -8.069 16.601 -5.750 177 2HD2 ASN 28 2HD2 ASN 28 -7.947 18.294 -5.778 178 H GLY 29 H GLY 29 -10.880 13.228 -5.153 179 1HA GLY 29 2HA GLY 29 -10.529 12.269 -7.349 180 2HA GLY 29 1HA GLY 29 -9.390 13.569 -7.701 181 H PHE 30 H PHE 30 -9.391 11.696 -4.705 182 HA PHE 30 HA PHE 30 -6.931 10.272 -5.629 183 1HB PHE 30 2HB PHE 30 -7.287 12.065 -3.218 184 2HB PHE 30 1HB PHE 30 -5.930 10.939 -3.380 185 HD1 PHE 30 HD1 PHE 30 -7.307 14.131 -4.374 186 HD2 PHE 30 HD2 PHE 30 -4.447 11.105 -5.400 187 HE1 PHE 30 HE1 PHE 30 -6.141 15.744 -5.843 188 HE2 PHE 30 HE2 PHE 30 -3.263 12.723 -6.871 189 HZ PHE 30 HZ PHE 30 -4.111 15.044 -7.094 190 H LEU 31 H LEU 31 -6.659 8.274 -4.750 191 HA LEU 31 HA LEU 31 -8.673 7.370 -2.710 192 1HB LEU 31 2HB LEU 31 -7.317 6.033 -5.055 193 2HB LEU 31 1HB LEU 31 -7.930 5.066 -3.714 194 HG LEU 31 HG LEU 31 -9.486 6.832 -5.598 195 1HD1 LEU 31 1HD1 LEU 31 -10.805 4.483 -5.321 196 2HD1 LEU 31 2HD1 LEU 31 -9.158 3.950 -4.974 197 3HD1 LEU 31 3HD1 LEU 31 -9.530 4.731 -6.515 198 1HD2 LEU 31 1HD2 LEU 31 -11.466 6.181 -4.128 199 2HD2 LEU 31 2HD2 LEU 31 -10.382 7.389 -3.436 200 3HD2 LEU 31 3HD2 LEU 31 -10.290 5.712 -2.898 201 H SER 32 H SER 32 -7.765 6.548 -0.830 202 HA SER 32 HA SER 32 -4.866 6.883 -0.516 203 1HB SER 32 2HB SER 32 -5.376 6.847 1.751 204 2HB SER 32 1HB SER 32 -6.942 7.322 1.100 205 HG SER 32 HG SER 32 -7.354 5.604 2.394 206 H GLY 33 H GLY 33 -3.388 5.223 -0.136 207 1HA GLY 33 2HA GLY 33 -3.603 2.790 -1.457 208 2HA GLY 33 1HA GLY 33 -2.588 3.008 -0.028 209 H ASP 34 H ASP 34 -4.973 3.740 1.598 210 HA ASP 34 HA ASP 34 -5.618 1.147 2.653 211 1HB ASP 34 2HB ASP 34 -5.592 3.450 3.769 212 2HB ASP 34 1HB ASP 34 -7.156 3.732 3.004 213 H LYS 35 H LYS 35 -7.098 3.179 0.185 214 HA LYS 35 HA LYS 35 -9.561 1.535 0.141 215 1HB LYS 35 2HB LYS 35 -8.552 3.937 -1.425 216 2HB LYS 35 1HB LYS 35 -10.148 3.221 -1.639 217 1HG LYS 35 2HG LYS 35 -10.894 3.921 0.456 218 2HG LYS 35 1HG LYS 35 -9.259 4.023 1.114 219 1HD LYS 35 2HD LYS 35 -9.110 6.194 0.540 220 2HD LYS 35 1HD LYS 35 -9.521 5.816 -1.133 221 1HE LYS 35 2HE LYS 35 -11.184 7.372 -0.156 222 2HE LYS 35 1HE LYS 35 -11.940 5.806 -0.507 223 1HZ LYS 35 1HZ LYS 35 -12.085 5.276 1.668 224 2HZ LYS 35 2HZ LYS 35 -12.038 6.959 1.893 225 3HZ LYS 35 3HZ LYS 35 -10.624 6.036 2.072 226 H VAL 36 H VAL 36 -6.591 2.165 -1.646 227 HA VAL 36 HA VAL 36 -7.329 0.476 -3.927 228 HB VAL 36 HB VAL 36 -4.715 1.661 -2.968 229 1HG1 VAL 36 1HG1 VAL 36 -5.054 -0.370 -4.777 230 2HG1 VAL 36 2HG1 VAL 36 -3.705 0.762 -4.794 231 3HG1 VAL 36 3HG1 VAL 36 -5.108 1.045 -5.824 232 1HG2 VAL 36 1HG2 VAL 36 -6.440 3.348 -3.482 233 2HG2 VAL 36 2HG2 VAL 36 -6.717 2.595 -5.052 234 3HG2 VAL 36 3HG2 VAL 36 -5.172 3.369 -4.707 235 H LYS 37 H LYS 37 -5.056 0.218 -1.181 236 HA LYS 37 HA LYS 37 -3.781 -2.155 -1.617 237 1HB LYS 37 2HB LYS 37 -3.432 -0.878 0.381 238 2HB LYS 37 1HB LYS 37 -5.104 -1.097 0.891 239 1HG LYS 37 2HG LYS 37 -4.730 -3.217 1.676 240 2HG LYS 37 1HG LYS 37 -3.556 -3.584 0.411 241 1HD LYS 37 2HD LYS 37 -1.910 -2.107 1.552 242 2HD LYS 37 1HD LYS 37 -3.074 -1.849 2.851 243 1HE LYS 37 2HE LYS 37 -2.293 -4.654 2.063 244 2HE LYS 37 1HE LYS 37 -1.274 -3.714 3.169 245 1HZ LYS 37 1HZ LYS 37 -3.706 -3.176 4.124 246 2HZ LYS 37 2HZ LYS 37 -2.732 -4.442 4.706 247 3HZ LYS 37 3HZ LYS 37 -3.955 -4.760 3.569 248 HA PRO 38 HA PRO 38 -7.532 -4.781 -0.166 249 1HB PRO 38 2HB PRO 38 -9.978 -3.544 -0.154 250 2HB PRO 38 1HB PRO 38 -8.930 -3.627 1.276 251 1HG PRO 38 2HG PRO 38 -9.328 -1.391 -0.652 252 2HG PRO 38 1HG PRO 38 -9.159 -1.344 1.110 253 1HD PRO 38 2HD PRO 38 -7.132 -0.720 -0.560 254 2HD PRO 38 1HD PRO 38 -6.870 -1.467 1.031 255 H VAL 39 H VAL 39 -8.124 -2.176 -2.481 256 HA VAL 39 HA VAL 39 -9.809 -3.604 -4.304 257 HB VAL 39 HB VAL 39 -7.999 -1.217 -4.284 258 1HG1 VAL 39 1HG1 VAL 39 -9.358 -2.030 -6.848 259 2HG1 VAL 39 2HG1 VAL 39 -7.696 -2.510 -6.515 260 3HG1 VAL 39 3HG1 VAL 39 -8.116 -0.807 -6.596 261 1HG2 VAL 39 1HG2 VAL 39 -10.443 -0.610 -5.468 262 2HG2 VAL 39 2HG2 VAL 39 -10.029 -0.373 -3.770 263 3HG2 VAL 39 3HG2 VAL 39 -10.851 -1.847 -4.279 264 H LEU 40 H LEU 40 -6.322 -3.455 -3.804 265 HA LEU 40 HA LEU 40 -5.752 -5.096 -6.199 266 1HB LEU 40 2HB LEU 40 -3.981 -4.040 -3.971 267 2HB LEU 40 1HB LEU 40 -3.447 -4.622 -5.550 268 HG LEU 40 HG LEU 40 -5.385 -2.331 -5.212 269 1HD1 LEU 40 1HD1 LEU 40 -3.179 -1.094 -6.034 270 2HD1 LEU 40 2HD1 LEU 40 -2.402 -2.422 -5.172 271 3HD1 LEU 40 3HD1 LEU 40 -3.513 -1.347 -4.323 272 1HD2 LEU 40 1HD2 LEU 40 -5.433 -3.504 -7.358 273 2HD2 LEU 40 2HD2 LEU 40 -3.684 -3.317 -7.510 274 3HD2 LEU 40 3HD2 LEU 40 -4.732 -1.897 -7.553 275 H LEU 41 H LEU 41 -6.053 -5.423 -2.718 276 HA LEU 41 HA LEU 41 -4.752 -8.015 -2.532 277 1HB LEU 41 2HB LEU 41 -6.605 -6.358 -0.809 278 2HB LEU 41 1HB LEU 41 -6.035 -7.948 -0.302 279 HG LEU 41 HG LEU 41 -4.153 -5.754 -1.176 280 1HD1 LEU 41 1HD1 LEU 41 -5.518 -5.037 0.791 281 2HD1 LEU 41 2HD1 LEU 41 -3.813 -5.257 1.191 282 3HD1 LEU 41 3HD1 LEU 41 -4.991 -6.487 1.645 283 1HD2 LEU 41 1HD2 LEU 41 -3.902 -8.528 -0.526 284 2HD2 LEU 41 2HD2 LEU 41 -3.114 -7.598 0.750 285 3HD2 LEU 41 3HD2 LEU 41 -2.617 -7.387 -0.930 286 H ASN 42 H ASN 42 -7.739 -6.902 -3.746 287 HA ASN 42 HA ASN 42 -9.216 -9.374 -3.120 288 1HB ASN 42 2HB ASN 42 -10.335 -7.209 -3.017 289 2HB ASN 42 1HB ASN 42 -9.865 -6.855 -4.681 290 1HD2 ASN 42 1HD2 ASN 42 -12.062 -6.755 -5.484 291 2HD2 ASN 42 2HD2 ASN 42 -13.048 -8.133 -5.582 292 H SER 43 H SER 43 -7.061 -8.299 -5.503 293 HA SER 43 HA SER 43 -8.231 -9.653 -7.811 294 1HB SER 43 2HB SER 43 -6.488 -8.626 -8.904 295 2HB SER 43 1HB SER 43 -6.440 -7.668 -7.427 296 HG SER 43 HG SER 43 -4.410 -8.405 -7.631 297 H LYS 44 H LYS 44 -7.062 -10.925 -5.029 298 HA LYS 44 HA LYS 44 -6.361 -13.123 -4.488 299 1HB LYS 44 2HB LYS 44 -7.785 -13.372 -6.748 300 2HB LYS 44 1HB LYS 44 -6.203 -13.823 -7.386 301 1HG LYS 44 2HG LYS 44 -6.386 -15.857 -6.451 302 2HG LYS 44 1HG LYS 44 -6.557 -15.118 -4.858 303 1HD LYS 44 2HD LYS 44 -8.893 -15.098 -4.971 304 2HD LYS 44 1HD LYS 44 -8.907 -15.203 -6.732 305 1HE LYS 44 2HE LYS 44 -8.371 -17.512 -6.718 306 2HE LYS 44 1HE LYS 44 -7.813 -17.456 -5.034 307 1HZ LYS 44 1HZ LYS 44 -10.524 -16.527 -5.528 308 2HZ LYS 44 2HZ LYS 44 -9.909 -17.438 -4.232 309 3HZ LYS 44 3HZ LYS 44 -10.275 -18.195 -5.708 310 H LEU 45 H LEU 45 -4.612 -10.815 -5.914 311 HA LEU 45 HA LEU 45 -2.214 -12.425 -6.600 312 1HB LEU 45 2HB LEU 45 -3.121 -9.568 -6.815 313 2HB LEU 45 1HB LEU 45 -1.407 -9.947 -6.959 314 HG LEU 45 HG LEU 45 -3.602 -11.221 -8.613 315 1HD1 LEU 45 1HD1 LEU 45 -3.191 -9.675 -10.268 316 2HD1 LEU 45 2HD1 LEU 45 -1.511 -9.453 -9.786 317 3HD1 LEU 45 3HD1 LEU 45 -2.798 -8.666 -8.877 318 1HD2 LEU 45 1HD2 LEU 45 -2.006 -12.620 -9.428 319 2HD2 LEU 45 2HD2 LEU 45 -1.065 -12.170 -8.004 320 3HD2 LEU 45 3HD2 LEU 45 -0.812 -11.326 -9.532 321 HA PRO 46 HA PRO 46 -0.298 -11.719 -2.718 322 1HB PRO 46 2HB PRO 46 2.329 -11.754 -3.481 323 2HB PRO 46 1HB PRO 46 1.328 -13.215 -3.422 324 1HG PRO 46 2HG PRO 46 2.161 -11.592 -5.754 325 2HG PRO 46 1HG PRO 46 1.931 -13.340 -5.616 326 1HD PRO 46 2HD PRO 46 0.129 -11.609 -6.768 327 2HD PRO 46 1HD PRO 46 -0.283 -13.208 -6.118 328 H VAL 47 H VAL 47 1.377 -10.105 -1.712 329 HA VAL 47 HA VAL 47 0.698 -7.417 -2.521 330 HB VAL 47 HB VAL 47 2.315 -8.836 -0.459 331 1HG1 VAL 47 1HG1 VAL 47 3.349 -6.728 0.326 332 2HG1 VAL 47 2HG1 VAL 47 2.754 -5.912 -1.121 333 3HG1 VAL 47 3HG1 VAL 47 3.954 -7.195 -1.263 334 1HG2 VAL 47 1HG2 VAL 47 -0.061 -7.200 -0.682 335 2HG2 VAL 47 2HG2 VAL 47 1.021 -6.548 0.549 336 3HG2 VAL 47 3HG2 VAL 47 0.465 -8.218 0.659 337 H ASP 48 H ASP 48 2.860 -9.654 -3.803 338 HA ASP 48 HA ASP 48 5.064 -7.867 -4.418 339 1HB ASP 48 2HB ASP 48 4.181 -10.548 -5.544 340 2HB ASP 48 1HB ASP 48 5.760 -9.810 -5.817 341 H ILE 49 H ILE 49 2.041 -8.842 -5.894 342 HA ILE 49 HA ILE 49 2.687 -7.526 -8.452 343 HB ILE 49 HB ILE 49 -0.020 -8.509 -7.570 344 1HG1 ILE 49 2HG1 ILE 49 1.480 -10.295 -6.896 345 2HG1 ILE 49 1HG1 ILE 49 0.682 -10.779 -8.391 346 1HG2 ILE 49 1HG2 ILE 49 0.598 -9.360 -10.152 347 2HG2 ILE 49 2HG2 ILE 49 1.331 -7.760 -10.036 348 3HG2 ILE 49 3HG2 ILE 49 -0.391 -7.963 -9.722 349 1HD1 ILE 49 1HD1 ILE 49 3.481 -9.669 -8.098 350 2HD1 ILE 49 2HD1 ILE 49 2.680 -9.914 -9.650 351 3HD1 ILE 49 3HD1 ILE 49 3.027 -11.295 -8.609 352 H LEU 50 H LEU 50 0.731 -7.053 -5.573 353 HA LEU 50 HA LEU 50 -0.502 -4.573 -6.514 354 1HB LEU 50 2HB LEU 50 -0.249 -5.576 -3.676 355 2HB LEU 50 1HB LEU 50 -1.556 -4.630 -4.383 356 HG LEU 50 HG LEU 50 -0.895 -7.529 -4.975 357 1HD1 LEU 50 1HD1 LEU 50 -3.221 -6.149 -3.618 358 2HD1 LEU 50 2HD1 LEU 50 -2.079 -7.282 -2.892 359 3HD1 LEU 50 3HD1 LEU 50 -3.234 -7.845 -4.101 360 1HD2 LEU 50 1HD2 LEU 50 -2.071 -7.366 -6.894 361 2HD2 LEU 50 2HD2 LEU 50 -2.042 -5.613 -6.694 362 3HD2 LEU 50 3HD2 LEU 50 -3.396 -6.552 -6.063 363 H GLY 51 H GLY 51 2.351 -5.581 -4.759 364 1HA GLY 51 2HA GLY 51 2.965 -2.959 -3.646 365 2HA GLY 51 1HA GLY 51 4.092 -4.317 -3.770 366 H ARG 52 H ARG 52 3.311 -4.571 -6.655 367 HA ARG 52 HA ARG 52 5.197 -2.539 -7.733 368 1HB ARG 52 2HB ARG 52 4.759 -5.319 -8.030 369 2HB ARG 52 1HB ARG 52 4.296 -4.582 -9.562 370 1HG ARG 52 2HG ARG 52 6.472 -3.391 -9.627 371 2HG ARG 52 1HG ARG 52 6.940 -4.200 -8.130 372 1HD ARG 52 2HD ARG 52 5.962 -6.107 -10.115 373 2HD ARG 52 1HD ARG 52 7.364 -5.193 -10.701 374 HE ARG 52 HE ARG 52 8.608 -5.933 -8.726 375 1HH1 ARG 52 1HH2 ARG 52 6.655 -8.194 -10.024 376 2HH1 ARG 52 2HH2 ARG 52 6.404 -9.127 -8.586 377 1HH2 ARG 52 2HH1 ARG 52 7.783 -6.743 -6.482 378 2HH2 ARG 52 1HH1 ARG 52 7.043 -8.305 -6.582 379 H VAL 53 H VAL 53 1.890 -3.780 -8.026 380 HA VAL 53 HA VAL 53 1.229 -2.303 -10.423 381 HB VAL 53 HB VAL 53 -0.275 -3.657 -8.184 382 1HG1 VAL 53 1HG1 VAL 53 -1.513 -1.580 -9.073 383 2HG1 VAL 53 2HG1 VAL 53 -2.373 -3.113 -9.160 384 3HG1 VAL 53 3HG1 VAL 53 -1.617 -2.444 -10.607 385 1HG2 VAL 53 1HG2 VAL 53 -0.607 -4.298 -11.083 386 2HG2 VAL 53 2HG2 VAL 53 -0.507 -5.381 -9.692 387 3HG2 VAL 53 3HG2 VAL 53 0.961 -4.666 -10.359 388 H TRP 54 H TRP 54 0.963 -1.606 -6.933 389 HA TRP 54 HA TRP 54 -0.434 0.899 -7.259 390 1HB TRP 54 2HB TRP 54 -0.459 -0.062 -5.087 391 2HB TRP 54 1HB TRP 54 1.285 -0.348 -5.106 392 HD1 TRP 54 HD1 TRP 54 2.869 1.878 -5.048 393 HE1 TRP 54 HE1 TRP 54 2.488 4.158 -3.945 394 HE3 TRP 54 HE3 TRP 54 -2.170 1.642 -4.272 395 HZ2 TRP 54 HZ2 TRP 54 0.328 5.685 -2.827 396 HZ3 TRP 54 HZ3 TRP 54 -3.364 3.525 -3.173 397 HH2 TRP 54 HH2 TRP 54 -2.124 5.533 -2.457 398 H GLU 55 H GLU 55 3.035 0.097 -6.807 399 HA GLU 55 HA GLU 55 3.999 2.764 -6.879 400 1HB GLU 55 2HB GLU 55 5.243 0.158 -7.790 401 2HB GLU 55 1HB GLU 55 6.135 1.644 -7.454 402 1HG GLU 55 2HG GLU 55 4.298 0.738 -5.320 403 2HG GLU 55 1HG GLU 55 5.712 -0.277 -5.595 404 H LEU 56 H LEU 56 3.987 0.402 -9.575 405 HA LEU 56 HA LEU 56 4.689 2.278 -11.606 406 1HB LEU 56 2HB LEU 56 3.031 -0.267 -11.647 407 2HB LEU 56 1HB LEU 56 3.619 0.541 -13.101 408 HG LEU 56 HG LEU 56 5.648 -0.016 -11.001 409 1HD1 LEU 56 1HD1 LEU 56 5.650 -2.305 -11.165 410 2HD1 LEU 56 2HD1 LEU 56 5.012 -2.290 -12.809 411 3HD1 LEU 56 3HD1 LEU 56 3.927 -2.045 -11.441 412 1HD2 LEU 56 1HD2 LEU 56 5.721 0.874 -13.584 413 2HD2 LEU 56 2HD2 LEU 56 5.986 -0.851 -13.834 414 3HD2 LEU 56 3HD2 LEU 56 7.080 0.068 -12.801 415 H SER 57 H SER 57 1.811 1.827 -9.785 416 HA SER 57 HA SER 57 0.018 3.159 -11.713 417 1HB SER 57 2HB SER 57 -0.931 1.415 -10.414 418 2HB SER 57 1HB SER 57 -0.175 1.998 -8.935 419 HG SER 57 HG SER 57 -2.199 2.759 -8.804 420 H ASP 58 H ASP 58 1.466 3.764 -8.516 421 HA ASP 58 HA ASP 58 0.404 6.347 -8.035 422 1HB ASP 58 2HB ASP 58 2.414 4.537 -7.012 423 2HB ASP 58 1HB ASP 58 3.000 6.199 -6.953 424 H ILE 59 H ILE 59 0.538 7.607 -9.990 425 HA ILE 59 HA ILE 59 2.968 7.969 -11.491 426 HB ILE 59 HB ILE 59 0.515 9.726 -11.169 427 1HG1 ILE 59 2HG1 ILE 59 0.073 7.334 -11.821 428 2HG1 ILE 59 1HG1 ILE 59 -0.392 8.501 -13.058 429 1HG2 ILE 59 1HG2 ILE 59 2.686 9.568 -13.270 430 2HG2 ILE 59 2HG2 ILE 59 2.271 10.952 -12.260 431 3HG2 ILE 59 3HG2 ILE 59 1.159 10.412 -13.519 432 1HD1 ILE 59 1HD1 ILE 59 1.875 8.124 -14.125 433 2HD1 ILE 59 2HD1 ILE 59 0.794 6.732 -14.177 434 3HD1 ILE 59 3HD1 ILE 59 2.105 6.787 -12.996 435 H ASP 60 H ASP 60 1.600 9.562 -8.658 436 HA ASP 60 HA ASP 60 3.879 11.505 -8.661 437 1HB ASP 60 2HB ASP 60 2.374 12.771 -7.122 438 2HB ASP 60 1HB ASP 60 1.611 12.445 -8.678 439 H HIS 61 H HIS 61 2.589 8.727 -7.082 440 HA HIS 61 HA HIS 61 3.359 7.509 -5.206 441 1HB HIS 61 2HB HIS 61 5.674 9.463 -5.424 442 2HB HIS 61 1HB HIS 61 5.701 7.902 -4.610 443 HD1 HIS 61 HD1 HIS 61 6.849 6.210 -6.009 444 HD2 HIS 61 HD2 HIS 61 4.672 8.885 -8.349 445 HE1 HIS 61 HE1 HIS 61 7.153 5.470 -8.410 446 H ASP 62 H ASP 62 1.558 9.694 -4.744 447 HA ASP 62 HA ASP 62 2.589 11.106 -2.346 448 1HB ASP 62 2HB ASP 62 0.542 12.387 -2.590 449 2HB ASP 62 1HB ASP 62 1.240 12.178 -4.198 450 H GLY 63 H GLY 63 1.383 8.096 -2.903 451 1HA GLY 63 2HA GLY 63 0.746 6.527 -1.213 452 2HA GLY 63 1HA GLY 63 0.378 7.874 -0.135 453 H MET 64 H MET 64 -0.830 7.974 -3.387 454 HA MET 64 HA MET 64 -3.453 6.845 -2.639 455 1HB MET 64 2HB MET 64 -3.294 9.696 -3.630 456 2HB MET 64 1HB MET 64 -4.670 8.865 -2.914 457 1HG MET 64 2HG MET 64 -3.599 8.836 -0.749 458 2HG MET 64 1HG MET 64 -2.120 9.514 -1.426 459 1HE MET 64 1HE MET 64 -5.181 9.812 0.204 460 2HE MET 64 2HE MET 64 -6.137 10.455 -1.129 461 3HE MET 64 3HE MET 64 -5.701 11.504 0.218 462 H LEU 65 H LEU 65 -4.913 6.754 -4.546 463 HA LEU 65 HA LEU 65 -3.396 6.845 -7.136 464 1HB LEU 65 2HB LEU 65 -5.453 4.941 -5.997 465 2HB LEU 65 1HB LEU 65 -5.050 4.965 -7.714 466 HG LEU 65 HG LEU 65 -3.085 4.529 -5.447 467 1HD1 LEU 65 1HD1 LEU 65 -3.346 2.296 -5.760 468 2HD1 LEU 65 2HD1 LEU 65 -3.484 2.463 -7.510 469 3HD1 LEU 65 3HD1 LEU 65 -4.891 2.743 -6.484 470 1HD2 LEU 65 1HD2 LEU 65 -1.583 3.911 -7.429 471 2HD2 LEU 65 2HD2 LEU 65 -1.933 5.627 -7.234 472 3HD2 LEU 65 3HD2 LEU 65 -2.787 4.686 -8.458 473 H ASP 66 H ASP 66 -4.178 8.617 -8.247 474 HA ASP 66 HA ASP 66 -6.752 9.825 -7.769 475 1HB ASP 66 2HB ASP 66 -4.970 10.064 -10.212 476 2HB ASP 66 1HB ASP 66 -6.087 11.272 -9.587 477 H ARG 67 H ARG 67 -8.526 9.948 -9.353 478 HA ARG 67 HA ARG 67 -9.665 7.597 -10.230 479 1HB ARG 67 2HB ARG 67 -10.800 9.077 -11.941 480 2HB ARG 67 1HB ARG 67 -10.793 9.741 -10.307 481 1HG ARG 67 2HG ARG 67 -8.559 10.880 -11.045 482 2HG ARG 67 1HG ARG 67 -9.137 10.561 -12.682 483 1HD ARG 67 2HD ARG 67 -11.260 11.757 -12.142 484 2HD ARG 67 1HD ARG 67 -10.601 12.143 -10.539 485 HE ARG 67 HE ARG 67 -8.602 12.980 -12.238 486 1HH1 ARG 67 1HH2 ARG 67 -10.929 14.564 -10.737 487 2HH1 ARG 67 2HH2 ARG 67 -11.340 15.678 -11.998 488 1HH2 ARG 67 2HH1 ARG 67 -9.590 13.964 -14.451 489 2HH2 ARG 67 1HH1 ARG 67 -10.582 15.339 -14.098 490 H ASP 68 H ASP 68 -7.345 9.581 -12.046 491 HA ASP 68 HA ASP 68 -7.291 7.719 -14.318 492 1HB ASP 68 2HB ASP 68 -6.983 10.238 -14.388 493 2HB ASP 68 1HB ASP 68 -5.424 10.001 -13.597 494 H GLU 69 H GLU 69 -5.337 8.456 -11.473 495 HA GLU 69 HA GLU 69 -3.073 6.801 -12.157 496 1HB GLU 69 2HB GLU 69 -3.814 8.653 -10.231 497 2HB GLU 69 1HB GLU 69 -3.729 7.149 -9.317 498 1HG GLU 69 2HG GLU 69 -1.476 6.739 -10.205 499 2HG GLU 69 1HG GLU 69 -1.552 8.252 -11.107 500 H PHE 70 H PHE 70 -5.890 6.319 -10.028 501 HA PHE 70 HA PHE 70 -5.380 3.644 -9.245 502 1HB PHE 70 2HB PHE 70 -7.066 5.250 -8.315 503 2HB PHE 70 1HB PHE 70 -8.018 5.053 -9.785 504 HD1 PHE 70 HD1 PHE 70 -7.093 3.610 -6.582 505 HD2 PHE 70 HD2 PHE 70 -8.976 2.801 -10.357 506 HE1 PHE 70 HE1 PHE 70 -8.169 1.593 -5.615 507 HE2 PHE 70 HE2 PHE 70 -10.050 0.787 -9.390 508 HZ PHE 70 HZ PHE 70 -9.643 0.186 -7.018 509 H ALA 71 H ALA 71 -6.378 5.012 -12.262 510 HA ALA 71 HA ALA 71 -7.708 2.690 -13.381 511 1HB ALA 71 1HB ALA 71 -6.177 4.792 -14.915 512 2HB ALA 71 2HB ALA 71 -7.663 5.214 -14.061 513 3HB ALA 71 3HB ALA 71 -7.698 4.010 -15.349 514 H VAL 72 H VAL 72 -4.448 4.040 -13.754 515 HA VAL 72 HA VAL 72 -3.307 2.075 -15.427 516 HB VAL 72 HB VAL 72 -2.184 3.733 -13.146 517 1HG1 VAL 72 1HG1 VAL 72 -0.220 3.315 -15.119 518 2HG1 VAL 72 2HG1 VAL 72 -0.930 1.730 -14.817 519 3HG1 VAL 72 3HG1 VAL 72 -0.240 2.652 -13.486 520 1HG2 VAL 72 1HG2 VAL 72 -3.284 5.022 -14.943 521 2HG2 VAL 72 2HG2 VAL 72 -2.291 4.195 -16.144 522 3HG2 VAL 72 3HG2 VAL 72 -1.536 5.273 -14.968 523 H ALA 73 H ALA 73 -4.123 1.957 -12.019 524 HA ALA 73 HA ALA 73 -2.470 -0.437 -11.509 525 1HB ALA 73 1HB ALA 73 -4.434 1.230 -9.935 526 2HB ALA 73 2HB ALA 73 -2.676 1.213 -9.793 527 3HB ALA 73 3HB ALA 73 -3.621 -0.180 -9.257 528 H MET 74 H MET 74 -5.634 0.118 -12.760 529 HA MET 74 HA MET 74 -6.761 -2.340 -11.599 530 1HB MET 74 2HB MET 74 -7.790 -0.546 -13.812 531 2HB MET 74 1HB MET 74 -8.735 -1.708 -12.890 532 1HG MET 74 2HG MET 74 -7.900 1.032 -12.175 533 2HG MET 74 1HG MET 74 -9.283 0.103 -11.622 534 1HE MET 74 1HE MET 74 -8.785 -1.732 -8.997 535 2HE MET 74 2HE MET 74 -7.333 -2.540 -9.588 536 3HE MET 74 3HE MET 74 -8.654 -2.188 -10.702 537 H PHE 75 H PHE 75 -5.626 -1.295 -14.819 538 HA PHE 75 HA PHE 75 -6.134 -3.938 -15.949 539 1HB PHE 75 2HB PHE 75 -5.484 -2.926 -17.937 540 2HB PHE 75 1HB PHE 75 -5.914 -1.494 -17.005 541 HD1 PHE 75 HD1 PHE 75 -3.298 -3.229 -18.750 542 HD2 PHE 75 HD2 PHE 75 -4.063 -0.301 -15.709 543 HE1 PHE 75 HE1 PHE 75 -0.980 -2.383 -18.985 544 HE2 PHE 75 HE2 PHE 75 -1.757 0.543 -15.941 545 HZ PHE 75 HZ PHE 75 -0.206 -0.495 -17.579 546 H LEU 76 H LEU 76 -3.625 -2.354 -14.169 547 HA LEU 76 HA LEU 76 -1.432 -4.133 -14.851 548 1HB LEU 76 2HB LEU 76 -2.072 -1.904 -13.040 549 2HB LEU 76 1HB LEU 76 -0.918 -3.052 -12.369 550 HG LEU 76 HG LEU 76 -0.654 -1.809 -15.118 551 1HD1 LEU 76 1HD1 LEU 76 -0.475 -0.179 -13.183 552 2HD1 LEU 76 2HD1 LEU 76 0.977 -0.313 -14.174 553 3HD1 LEU 76 3HD1 LEU 76 0.900 -1.123 -12.610 554 1HD2 LEU 76 1HD2 LEU 76 1.444 -3.194 -13.429 555 2HD2 LEU 76 2HD2 LEU 76 1.516 -2.808 -15.149 556 3HD2 LEU 76 3HD2 LEU 76 0.431 -4.075 -14.574 557 H VAL 77 H VAL 77 -4.180 -4.243 -12.756 558 HA VAL 77 HA VAL 77 -3.133 -6.484 -11.120 559 HB VAL 77 HB VAL 77 -5.733 -4.905 -11.227 560 1HG1 VAL 77 1HG1 VAL 77 -5.088 -6.511 -8.825 561 2HG1 VAL 77 2HG1 VAL 77 -5.506 -7.460 -10.251 562 3HG1 VAL 77 3HG1 VAL 77 -6.638 -6.262 -9.626 563 1HG2 VAL 77 1HG2 VAL 77 -3.667 -4.945 -9.027 564 2HG2 VAL 77 2HG2 VAL 77 -4.894 -3.723 -9.364 565 3HG2 VAL 77 3HG2 VAL 77 -3.491 -3.878 -10.421 566 H TYR 78 H TYR 78 -5.712 -5.821 -13.494 567 HA TYR 78 HA TYR 78 -6.799 -8.466 -13.574 568 1HB TYR 78 2HB TYR 78 -6.882 -5.949 -15.137 569 2HB TYR 78 1HB TYR 78 -7.355 -7.406 -16.013 570 HD1 TYR 78 HD1 TYR 78 -8.677 -4.796 -14.209 571 HD2 TYR 78 HD2 TYR 78 -8.782 -9.090 -14.327 572 HE1 TYR 78 HE1 TYR 78 -10.878 -4.774 -13.070 573 HE2 TYR 78 HE2 TYR 78 -10.986 -9.066 -13.186 574 HH TYR 78 HH TYR 78 -12.711 -6.051 -12.589 575 H CYS 79 H CYS 79 -4.005 -7.026 -15.165 576 HA CYS 79 HA CYS 79 -3.735 -9.148 -17.154 577 1HB CYS 79 2HB CYS 79 -2.832 -6.612 -16.926 578 2HB CYS 79 1HB CYS 79 -1.432 -7.462 -16.269 579 HG CYS 79 HG CYS 79 -1.160 -8.724 -18.515 580 H ALA 80 H ALA 80 -2.899 -8.659 -13.844 581 HA ALA 80 HA ALA 80 -0.829 -10.752 -13.811 582 1HB ALA 80 1HB ALA 80 -2.184 -9.052 -11.698 583 2HB ALA 80 2HB ALA 80 -0.598 -8.769 -12.415 584 3HB ALA 80 3HB ALA 80 -0.854 -10.164 -11.367 585 H LEU 81 H LEU 81 -4.198 -10.620 -13.787 586 HA LEU 81 HA LEU 81 -4.584 -12.961 -12.012 587 1HB LEU 81 2HB LEU 81 -6.513 -11.373 -13.738 588 2HB LEU 81 1HB LEU 81 -6.960 -12.526 -12.486 589 HG LEU 81 HG LEU 81 -5.933 -9.746 -12.224 590 1HD1 LEU 81 1HD1 LEU 81 -8.109 -9.804 -11.535 591 2HD1 LEU 81 2HD1 LEU 81 -7.377 -10.298 -10.009 592 3HD1 LEU 81 3HD1 LEU 81 -8.034 -11.513 -11.106 593 1HD2 LEU 81 1HD2 LEU 81 -5.298 -11.942 -10.223 594 2HD2 LEU 81 2HD2 LEU 81 -5.077 -10.216 -9.936 595 3HD2 LEU 81 3HD2 LEU 81 -4.116 -11.036 -11.168 596 H GLU 82 H GLU 82 -4.812 -12.062 -15.429 597 HA GLU 82 HA GLU 82 -5.744 -14.629 -16.355 598 1HB GLU 82 2HB GLU 82 -4.678 -12.079 -17.429 599 2HB GLU 82 1HB GLU 82 -4.472 -13.484 -18.477 600 1HG GLU 82 2HG GLU 82 -7.046 -13.847 -17.694 601 2HG GLU 82 1HG GLU 82 -6.955 -12.086 -17.656 602 H LYS 83 H LYS 83 -2.525 -13.084 -16.416 603 HA LYS 83 HA LYS 83 -1.086 -15.417 -15.655 604 1HB LYS 83 2HB LYS 83 -2.240 -15.597 -18.185 605 2HB LYS 83 1HB LYS 83 -0.540 -15.253 -18.497 606 1HG LYS 83 2HG LYS 83 0.104 -17.106 -16.988 607 2HG LYS 83 1HG LYS 83 -1.602 -17.465 -16.718 608 1HD LYS 83 2HD LYS 83 -1.928 -18.077 -19.010 609 2HD LYS 83 1HD LYS 83 -0.351 -17.436 -19.473 610 1HE LYS 83 2HE LYS 83 0.664 -19.393 -18.944 611 2HE LYS 83 1HE LYS 83 -0.098 -19.409 -17.340 612 1HZ LYS 83 1HZ LYS 83 -1.977 -20.445 -18.136 613 2HZ LYS 83 2HZ LYS 83 -0.776 -21.193 -19.077 614 3HZ LYS 83 3HZ LYS 83 -1.722 -19.944 -19.737 615 H GLU 84 H GLU 84 -1.120 -12.372 -17.401 616 HA GLU 84 HA GLU 84 1.793 -12.146 -17.536 617 1HB GLU 84 2HB GLU 84 -0.631 -10.605 -18.285 618 2HB GLU 84 1HB GLU 84 0.829 -9.656 -18.005 619 1HG GLU 84 2HG GLU 84 1.470 -12.020 -19.536 620 2HG GLU 84 1HG GLU 84 0.174 -11.121 -20.327 621 HA PRO 85 HA PRO 85 1.915 -10.819 -13.245 622 1HB PRO 85 2HB PRO 85 4.654 -10.683 -13.130 623 2HB PRO 85 1HB PRO 85 3.747 -12.201 -12.968 624 1HG PRO 85 2HG PRO 85 5.140 -11.080 -15.356 625 2HG PRO 85 1HG PRO 85 5.093 -12.747 -14.759 626 1HD PRO 85 2HD PRO 85 3.572 -11.913 -16.829 627 2HD PRO 85 1HD PRO 85 3.026 -13.166 -15.691 628 H VAL 86 H VAL 86 3.897 -9.020 -12.424 629 HA VAL 86 HA VAL 86 3.543 -6.692 -14.280 630 HB VAL 86 HB VAL 86 3.120 -6.897 -11.286 631 1HG1 VAL 86 1HG1 VAL 86 3.069 -4.468 -13.103 632 2HG1 VAL 86 2HG1 VAL 86 4.247 -4.786 -11.830 633 3HG1 VAL 86 3HG1 VAL 86 2.560 -4.480 -11.415 634 1HG2 VAL 86 1HG2 VAL 86 1.382 -6.751 -13.695 635 2HG2 VAL 86 2HG2 VAL 86 0.882 -5.778 -12.312 636 3HG2 VAL 86 3HG2 VAL 86 1.083 -7.522 -12.138 637 HA PRO 87 HA PRO 87 7.892 -6.420 -13.321 638 1HB PRO 87 2HB PRO 87 8.464 -4.488 -15.168 639 2HB PRO 87 1HB PRO 87 8.228 -6.191 -15.607 640 1HG PRO 87 2HG PRO 87 6.441 -3.884 -16.002 641 2HG PRO 87 1HG PRO 87 6.563 -5.393 -16.916 642 1HD PRO 87 2HD PRO 87 4.614 -4.736 -14.984 643 2HD PRO 87 1HD PRO 87 4.886 -6.326 -15.730 644 H MET 88 H MET 88 9.347 -4.252 -12.964 645 HA MET 88 HA MET 88 7.692 -2.484 -11.200 646 1HB MET 88 2HB MET 88 10.686 -2.487 -11.317 647 2HB MET 88 1HB MET 88 9.631 -2.200 -9.937 648 1HG MET 88 2HG MET 88 8.976 -4.627 -10.012 649 2HG MET 88 1HG MET 88 10.190 -4.868 -11.267 650 1HE MET 88 1HE MET 88 12.891 -5.842 -10.078 651 2HE MET 88 2HE MET 88 11.274 -6.415 -10.481 652 3HE MET 88 3HE MET 88 11.926 -6.701 -8.870 653 H SER 89 H SER 89 8.581 -2.429 -14.309 654 HA SER 89 HA SER 89 9.627 0.363 -14.227 655 1HB SER 89 2HB SER 89 9.635 -1.821 -16.302 656 2HB SER 89 1HB SER 89 10.244 -0.196 -16.595 657 HG SER 89 HG SER 89 11.994 -1.293 -15.902 658 H LEU 90 H LEU 90 7.885 1.685 -14.221 659 HA LEU 90 HA LEU 90 5.338 1.406 -15.330 660 1HB LEU 90 2HB LEU 90 7.196 3.562 -14.623 661 2HB LEU 90 1HB LEU 90 6.089 4.032 -15.914 662 HG LEU 90 HG LEU 90 5.318 2.889 -13.217 663 1HD1 LEU 90 1HD1 LEU 90 4.023 5.302 -13.603 664 2HD1 LEU 90 2HD1 LEU 90 5.610 5.596 -14.312 665 3HD1 LEU 90 3HD1 LEU 90 5.479 5.074 -12.633 666 1HD2 LEU 90 1HD2 LEU 90 3.891 3.132 -15.785 667 2HD2 LEU 90 2HD2 LEU 90 3.026 3.821 -14.411 668 3HD2 LEU 90 3HD2 LEU 90 3.519 2.129 -14.383 669 HA PRO 91 HA PRO 91 6.796 0.726 -19.554 670 1HB PRO 91 2HB PRO 91 4.380 -0.183 -20.491 671 2HB PRO 91 1HB PRO 91 5.541 -1.207 -19.619 672 1HG PRO 91 2HG PRO 91 3.085 0.144 -18.611 673 2HG PRO 91 1HG PRO 91 3.718 -1.468 -18.244 674 1HD PRO 91 2HD PRO 91 4.004 0.645 -16.565 675 2HD PRO 91 1HD PRO 91 5.190 -0.677 -16.668 676 HA PRO 92 HA PRO 92 5.458 4.569 -21.226 677 1HB PRO 92 2HB PRO 92 6.132 4.124 -23.842 678 2HB PRO 92 1HB PRO 92 7.333 4.459 -22.577 679 1HG PRO 92 2HG PRO 92 6.501 1.849 -23.756 680 2HG PRO 92 1HG PRO 92 8.122 2.430 -23.338 681 1HD PRO 92 2HD PRO 92 6.748 0.715 -21.767 682 2HD PRO 92 1HD PRO 92 7.874 1.923 -21.105 683 H ALA 93 H ALA 93 4.041 1.580 -21.960 684 HA ALA 93 HA ALA 93 2.025 2.733 -23.827 685 1HB ALA 93 1HB ALA 93 3.205 0.122 -23.208 686 2HB ALA 93 2HB ALA 93 2.371 0.645 -24.672 687 3HB ALA 93 3HB ALA 93 1.444 0.050 -23.293 688 H LEU 94 H LEU 94 2.346 3.279 -20.863 689 HA LEU 94 HA LEU 94 -0.494 2.907 -20.116 690 1HB LEU 94 2HB LEU 94 0.248 0.895 -19.226 691 2HB LEU 94 1HB LEU 94 1.883 1.497 -18.981 692 HG LEU 94 HG LEU 94 0.442 1.078 -16.885 693 1HD1 LEU 94 1HD1 LEU 94 2.507 2.801 -17.434 694 2HD1 LEU 94 2HD1 LEU 94 1.867 2.468 -15.823 695 3HD1 LEU 94 3HD1 LEU 94 1.307 3.881 -16.718 696 1HD2 LEU 94 1HD2 LEU 94 -1.273 2.828 -18.290 697 2HD2 LEU 94 2HD2 LEU 94 -0.650 3.751 -16.920 698 3HD2 LEU 94 3HD2 LEU 94 -1.482 2.223 -16.649 699 H VAL 95 H VAL 95 2.719 4.158 -19.349 700 HA VAL 95 HA VAL 95 1.820 5.989 -17.286 701 HB VAL 95 HB VAL 95 4.140 4.910 -17.767 702 1HG1 VAL 95 1HG1 VAL 95 5.538 5.887 -19.340 703 2HG1 VAL 95 2HG1 VAL 95 4.672 7.423 -19.308 704 3HG1 VAL 95 3HG1 VAL 95 3.986 6.042 -20.162 705 1HG2 VAL 95 1HG2 VAL 95 5.250 6.720 -16.617 706 2HG2 VAL 95 2HG2 VAL 95 3.589 6.657 -16.025 707 3HG2 VAL 95 3HG2 VAL 95 4.061 7.886 -17.198 708 HA PRO 96 HA PRO 96 0.324 9.091 -20.066 709 1HB PRO 96 2HB PRO 96 0.019 11.084 -18.218 710 2HB PRO 96 1HB PRO 96 -1.102 9.716 -18.356 711 1HG PRO 96 2HG PRO 96 1.087 10.179 -16.401 712 2HG PRO 96 1HG PRO 96 -0.498 9.428 -16.166 713 1HD PRO 96 2HD PRO 96 1.849 8.029 -16.424 714 2HD PRO 96 1HD PRO 96 0.244 7.369 -16.807 715 HA PRO 97 HA PRO 97 3.874 11.490 -21.040 716 1HB PRO 97 2HB PRO 97 2.703 13.640 -22.268 717 2HB PRO 97 1HB PRO 97 2.819 12.037 -23.024 718 1HG PRO 97 2HG PRO 97 0.507 13.324 -21.660 719 2HG PRO 97 1HG PRO 97 0.540 12.301 -23.104 720 1HD PRO 97 2HD PRO 97 -0.200 11.396 -20.644 721 2HD PRO 97 1HD PRO 97 0.525 10.359 -21.892 722 H SER 98 H SER 98 1.657 12.421 -18.700 723 HA SER 98 HA SER 98 2.506 15.139 -18.192 724 1HB SER 98 2HB SER 98 0.490 13.493 -17.370 725 2HB SER 98 1HB SER 98 1.547 13.430 -15.962 726 HG SER 98 HG SER 98 -0.124 15.349 -16.661 727 H LYS 99 H LYS 99 3.885 12.036 -17.554 728 HA LYS 99 HA LYS 99 5.698 13.119 -15.457 729 1HB LYS 99 2HB LYS 99 4.435 10.661 -15.980 730 2HB LYS 99 1HB LYS 99 6.141 10.377 -16.329 731 1HG LYS 99 2HG LYS 99 6.484 11.699 -14.053 732 2HG LYS 99 1HG LYS 99 4.838 11.143 -13.744 733 1HD LYS 99 2HD LYS 99 5.872 8.831 -14.618 734 2HD LYS 99 1HD LYS 99 7.355 9.564 -14.004 735 1HE LYS 99 2HE LYS 99 6.149 10.009 -11.827 736 2HE LYS 99 1HE LYS 99 4.795 9.050 -12.454 737 1HZ LYS 99 1HZ LYS 99 6.458 7.729 -11.179 738 2HZ LYS 99 2HZ LYS 99 7.604 8.089 -12.380 739 3HZ LYS 99 3HZ LYS 99 6.219 7.184 -12.767 740 H ARG 100 H ARG 100 5.618 13.409 -18.658 741 HA ARG 100 HA ARG 100 8.589 13.073 -18.940 742 1HB ARG 100 2HB ARG 100 6.299 12.074 -20.588 743 2HB ARG 100 1HB ARG 100 7.770 12.556 -21.433 744 1HG ARG 100 2HG ARG 100 8.961 10.791 -20.630 745 2HG ARG 100 1HG ARG 100 8.220 10.897 -19.033 746 1HD ARG 100 2HD ARG 100 6.129 10.105 -20.741 747 2HD ARG 100 1HD ARG 100 7.530 9.133 -21.232 748 HE ARG 100 HE ARG 100 6.187 8.995 -18.641 749 1HH1 ARG 100 1HH2 ARG 100 9.221 8.772 -20.268 750 2HH1 ARG 100 2HH2 ARG 100 9.852 7.563 -19.200 751 1HH2 ARG 100 2HH1 ARG 100 6.961 7.345 -17.300 752 2HH2 ARG 100 1HH1 ARG 100 8.575 6.757 -17.521 753 H SER 107 1H SER 107 8.881 5.283 1.618 754 HA SER 107 HA SER 107 9.795 2.974 0.792 755 1HB SER 107 2HB SER 107 9.359 1.227 2.258 756 2HB SER 107 1HB SER 107 9.701 2.507 3.419 757 HG SER 107 HG SER 107 7.564 2.757 3.782 758 H THR 108 H THR 108 6.910 4.441 2.228 759 HA THR 108 HA THR 108 4.657 4.456 1.487 760 HB THR 108 HB THR 108 4.593 4.994 -0.978 761 HG1 THR 108 HG1 THR 108 6.314 4.671 -2.161 762 1HG2 THR 108 1HG2 THR 108 6.884 6.588 -0.046 763 2HG2 THR 108 2HG2 THR 108 5.561 6.480 1.116 764 3HG2 THR 108 3HG2 THR 108 5.261 7.108 -0.505 765 H ASN 109 H ASN 109 3.482 3.426 -0.827 766 HA ASN 109 HA ASN 109 2.625 1.426 -1.736 767 1HB ASN 109 2HB ASN 109 5.113 1.294 -2.281 768 2HB ASN 109 1HB ASN 109 5.279 0.257 -0.863 769 1HD2 ASN 109 1HD2 ASN 109 3.171 0.509 -3.788 770 2HD2 ASN 109 2HD2 ASN 109 3.098 -1.163 -4.059 771 HA PRO 110 HA PRO 110 1.310 0.044 2.396 772 1HB PRO 110 2HB PRO 110 -1.276 -0.390 1.620 773 2HB PRO 110 1HB PRO 110 -0.658 1.214 2.056 774 1HG PRO 110 2HG PRO 110 -1.057 0.015 -0.646 775 2HG PRO 110 1HG PRO 110 -1.419 1.649 -0.075 776 1HD PRO 110 2HD PRO 110 0.780 1.085 -1.531 777 2HD PRO 110 1HD PRO 110 0.754 2.359 -0.295 778 H PHE 111 H PHE 111 2.010 -1.612 -0.392 779 HA PHE 111 HA PHE 111 0.656 -4.137 0.429 780 1HB PHE 111 2HB PHE 111 2.375 -3.634 -2.019 781 2HB PHE 111 1HB PHE 111 1.130 -4.865 -1.804 782 HD1 PHE 111 HD1 PHE 111 1.707 -1.205 -2.131 783 HD2 PHE 111 HD2 PHE 111 -1.193 -4.387 -2.258 784 HE1 PHE 111 HE1 PHE 111 0.006 0.367 -3.003 785 HE2 PHE 111 HE2 PHE 111 -2.877 -2.800 -3.125 786 HZ PHE 111 HZ PHE 111 -2.279 -0.424 -3.491 787 H ARG 112 HN ARG 112 3.885 -3.237 -0.795 788 HA ARG 112 HA ARG 112 5.234 -5.485 0.322 789 1HB ARG 112 2HB ARG 112 5.858 -2.883 -0.929 790 2HB ARG 112 1HB ARG 112 7.129 -3.506 0.124 791 1HG ARG 112 2HG ARG 112 7.582 -5.279 -1.247 792 2HG ARG 112 1HG ARG 112 5.893 -5.481 -1.713 793 1HD ARG 112 2HD ARG 112 6.634 -4.603 -3.708 794 2HD ARG 112 1HD ARG 112 6.444 -3.058 -2.857 795 HE ARG 112 HE ARG 112 9.022 -4.566 -3.040 796 1HH1 ARG 112 1HH2 ARG 112 8.571 -2.025 -4.599 797 2HH1 ARG 112 2HH2 ARG 112 9.316 -0.843 -3.573 798 1HH2 ARG 112 1HH1 ARG 112 9.387 -2.915 -0.793 799 2HH2 ARG 112 2HH1 ARG 112 9.778 -1.348 -1.420 Start of MODEL 5 1 HA PRO 6 HA PRO 6 -2.261 5.979 -27.420 2 1HB PRO 6 2HB PRO 6 -3.231 3.424 -27.364 3 2HB PRO 6 1HB PRO 6 -3.103 4.373 -28.858 4 1HG PRO 6 2HG PRO 6 -1.351 2.203 -27.842 5 2HG PRO 6 1HG PRO 6 -1.819 2.596 -29.503 6 1HD PRO 6 2HD PRO 6 0.609 3.232 -28.371 7 2HD PRO 6 1HD PRO 6 -0.106 4.072 -29.764 8 H TRP 7 H TRP 7 -3.629 4.910 -25.504 9 HA TRP 7 HA TRP 7 -1.728 4.554 -23.240 10 1HB TRP 7 2HB TRP 7 -3.519 6.325 -23.300 11 2HB TRP 7 1HB TRP 7 -4.725 5.037 -23.287 12 HD1 TRP 7 HD1 TRP 7 -1.629 4.358 -21.331 13 HE1 TRP 7 HE1 TRP 7 -2.135 4.483 -18.814 14 HE3 TRP 7 HE3 TRP 7 -6.299 6.380 -21.492 15 HZ2 TRP 7 HZ2 TRP 7 -4.255 5.343 -17.082 16 HZ3 TRP 7 HZ3 TRP 7 -7.545 6.848 -19.400 17 HH2 TRP 7 HH2 TRP 7 -6.529 6.332 -17.196 18 H ALA 8 H ALA 8 -1.431 2.529 -22.435 19 HA ALA 8 HA ALA 8 -2.511 0.143 -23.389 20 1HB ALA 8 1HB ALA 8 -0.566 0.515 -21.825 21 2HB ALA 8 2HB ALA 8 -1.630 -0.803 -21.328 22 3HB ALA 8 3HB ALA 8 -1.732 0.763 -20.522 23 H VAL 9 H VAL 9 -3.914 2.427 -21.121 24 HA VAL 9 HA VAL 9 -6.105 0.551 -20.414 25 HB VAL 9 HB VAL 9 -5.263 3.344 -19.605 26 1HG1 VAL 9 1HG1 VAL 9 -7.713 3.296 -19.644 27 2HG1 VAL 9 2HG1 VAL 9 -7.142 3.267 -17.976 28 3HG1 VAL 9 3HG1 VAL 9 -7.716 1.783 -18.737 29 1HG2 VAL 9 1HG2 VAL 9 -5.203 2.100 -17.343 30 2HG2 VAL 9 2HG2 VAL 9 -3.951 1.688 -18.514 31 3HG2 VAL 9 3HG2 VAL 9 -5.336 0.620 -18.293 32 H LYS 10 H LYS 10 -7.917 0.489 -21.695 33 HA LYS 10 HA LYS 10 -8.331 2.471 -23.807 34 1HB LYS 10 2HB LYS 10 -9.205 -0.190 -23.019 35 2HB LYS 10 1HB LYS 10 -10.570 0.792 -23.552 36 1HG LYS 10 2HG LYS 10 -9.844 0.858 -25.707 37 2HG LYS 10 1HG LYS 10 -8.154 1.030 -25.234 38 1HD LYS 10 2HD LYS 10 -9.168 -1.578 -24.474 39 2HD LYS 10 1HD LYS 10 -9.399 -1.298 -26.200 40 1HE LYS 10 2HE LYS 10 -7.124 -1.182 -26.625 41 2HE LYS 10 1HE LYS 10 -6.751 -0.556 -25.006 42 1HZ LYS 10 1HZ LYS 10 -7.909 -3.250 -25.359 43 2HZ LYS 10 2HZ LYS 10 -7.032 -2.634 -24.041 44 3HZ LYS 10 3HZ LYS 10 -6.234 -3.012 -25.492 45 HA PRO 11 HA PRO 11 -11.350 5.018 -21.905 46 1HB PRO 11 2HB PRO 11 -13.479 4.980 -23.630 47 2HB PRO 11 1HB PRO 11 -11.964 5.839 -23.982 48 1HG PRO 11 2HG PRO 11 -12.903 3.179 -24.945 49 2HG PRO 11 1HG PRO 11 -12.034 4.452 -25.817 50 1HD PRO 11 2HD PRO 11 -10.814 2.224 -24.854 51 2HD PRO 11 1HD PRO 11 -9.987 3.790 -25.013 52 H GLU 12 H GLU 12 -12.570 1.892 -23.016 53 HA GLU 12 HA GLU 12 -14.866 1.890 -21.195 54 1HB GLU 12 2HB GLU 12 -15.327 -0.187 -22.240 55 2HB GLU 12 1HB GLU 12 -14.513 0.736 -23.498 56 1HG GLU 12 2HG GLU 12 -13.126 -1.046 -23.666 57 2HG GLU 12 1HG GLU 12 -12.400 -0.447 -22.175 58 H ASP 13 H ASP 13 -11.516 0.979 -21.083 59 HA ASP 13 HA ASP 13 -11.790 -0.802 -18.764 60 1HB ASP 13 2HB ASP 13 -9.652 0.271 -20.556 61 2HB ASP 13 1HB ASP 13 -9.159 -0.293 -18.959 62 H LYS 14 H LYS 14 -10.784 2.516 -19.469 63 HA LYS 14 HA LYS 14 -10.033 3.157 -16.737 64 1HB LYS 14 2HB LYS 14 -9.498 4.231 -19.119 65 2HB LYS 14 1HB LYS 14 -10.931 5.190 -18.746 66 1HG LYS 14 2HG LYS 14 -8.652 4.882 -16.786 67 2HG LYS 14 1HG LYS 14 -8.690 6.173 -17.988 68 1HD LYS 14 2HD LYS 14 -11.164 6.481 -17.013 69 2HD LYS 14 1HD LYS 14 -10.413 5.769 -15.585 70 1HE LYS 14 2HE LYS 14 -8.953 7.564 -15.287 71 2HE LYS 14 1HE LYS 14 -9.001 8.016 -17.002 72 1HZ LYS 14 1HZ LYS 14 -11.095 8.402 -14.947 73 2HZ LYS 14 2HZ LYS 14 -11.463 8.422 -16.606 74 3HZ LYS 14 3HZ LYS 14 -10.386 9.565 -15.959 75 H ALA 15 H ALA 15 -12.991 2.803 -18.428 76 HA ALA 15 HA ALA 15 -14.581 4.693 -16.865 77 1HB ALA 15 1HB ALA 15 -15.498 4.219 -18.956 78 2HB ALA 15 2HB ALA 15 -16.392 3.070 -17.962 79 3HB ALA 15 3HB ALA 15 -15.000 2.528 -18.901 80 H LYS 16 H LYS 16 -14.026 1.166 -16.864 81 HA LYS 16 HA LYS 16 -15.740 0.696 -14.565 82 1HB LYS 16 2HB LYS 16 -15.309 -1.488 -15.108 83 2HB LYS 16 1HB LYS 16 -14.629 -0.794 -16.576 84 1HG LYS 16 2HG LYS 16 -12.409 -0.892 -15.700 85 2HG LYS 16 1HG LYS 16 -12.993 -1.262 -14.078 86 1HD LYS 16 2HD LYS 16 -12.570 -3.422 -14.689 87 2HD LYS 16 1HD LYS 16 -14.138 -3.290 -15.487 88 1HE LYS 16 2HE LYS 16 -13.111 -2.790 -17.610 89 2HE LYS 16 1HE LYS 16 -11.516 -2.598 -16.855 90 1HZ LYS 16 1HZ LYS 16 -12.207 -4.879 -17.898 91 2HZ LYS 16 2HZ LYS 16 -13.007 -5.088 -16.413 92 3HZ LYS 16 3HZ LYS 16 -11.329 -4.829 -16.447 93 H TYR 17 H TYR 17 -12.421 1.627 -15.107 94 HA TYR 17 HA TYR 17 -11.402 0.986 -12.464 95 1HB TYR 17 2HB TYR 17 -10.556 2.973 -14.606 96 2HB TYR 17 1HB TYR 17 -9.572 2.529 -13.214 97 HD1 TYR 17 HD1 TYR 17 -11.373 -0.339 -14.044 98 HD2 TYR 17 HD2 TYR 17 -8.102 2.056 -15.453 99 HE1 TYR 17 HE1 TYR 17 -10.486 -2.286 -15.296 100 HE2 TYR 17 HE2 TYR 17 -7.202 0.108 -16.699 101 HH TYR 17 HH TYR 17 -9.020 -2.906 -16.937 102 H ASP 18 H ASP 18 -12.945 3.764 -13.998 103 HA ASP 18 HA ASP 18 -12.547 5.609 -11.786 104 1HB ASP 18 2HB ASP 18 -13.497 5.605 -14.451 105 2HB ASP 18 1HB ASP 18 -14.852 6.154 -13.463 106 H ALA 19 H ALA 19 -14.854 3.091 -12.509 107 HA ALA 19 HA ALA 19 -16.895 4.066 -10.635 108 1HB ALA 19 1HB ALA 19 -18.113 2.499 -11.746 109 2HB ALA 19 2HB ALA 19 -16.958 1.232 -11.332 110 3HB ALA 19 3HB ALA 19 -16.694 2.234 -12.759 111 H ILE 20 H ILE 20 -14.156 1.859 -10.668 112 HA ILE 20 HA ILE 20 -14.700 0.771 -8.010 113 HB ILE 20 HB ILE 20 -12.393 0.687 -9.982 114 1HG1 ILE 20 2HG1 ILE 20 -14.188 -1.580 -9.112 115 2HG1 ILE 20 1HG1 ILE 20 -14.656 -0.493 -10.421 116 1HG2 ILE 20 1HG2 ILE 20 -11.713 0.444 -7.552 117 2HG2 ILE 20 2HG2 ILE 20 -11.325 -0.931 -8.585 118 3HG2 ILE 20 3HG2 ILE 20 -12.715 -1.006 -7.502 119 1HD1 ILE 20 1HD1 ILE 20 -12.175 -2.228 -10.291 120 2HD1 ILE 20 2HD1 ILE 20 -12.447 -1.000 -11.528 121 3HD1 ILE 20 3HD1 ILE 20 -13.528 -2.390 -11.411 122 H PHE 21 H PHE 21 -12.788 3.303 -9.516 123 HA PHE 21 HA PHE 21 -11.204 3.968 -7.183 124 1HB PHE 21 2HB PHE 21 -10.200 4.744 -9.102 125 2HB PHE 21 1HB PHE 21 -11.739 4.938 -9.937 126 HD1 PHE 21 HD1 PHE 21 -9.108 6.605 -8.114 127 HD2 PHE 21 HD2 PHE 21 -13.220 6.919 -9.314 128 HE1 PHE 21 HE1 PHE 21 -9.048 9.045 -7.679 129 HE2 PHE 21 HE2 PHE 21 -13.161 9.359 -8.877 130 HZ PHE 21 HZ PHE 21 -11.077 10.423 -8.059 131 H ASP 22 H ASP 22 -14.245 5.070 -8.589 132 HA ASP 22 HA ASP 22 -14.647 7.140 -6.526 133 1HB ASP 22 2HB ASP 22 -15.274 7.536 -8.863 134 2HB ASP 22 1HB ASP 22 -16.319 6.113 -8.846 135 H SER 23 H SER 23 -15.030 3.828 -6.641 136 HA SER 23 HA SER 23 -17.600 3.720 -5.170 137 1HB SER 23 2HB SER 23 -17.451 1.885 -6.560 138 2HB SER 23 1HB SER 23 -15.690 1.871 -6.515 139 HG SER 23 HG SER 23 -17.424 0.428 -5.083 140 H LEU 24 H LEU 24 -14.400 4.338 -4.475 141 HA LEU 24 HA LEU 24 -14.500 3.132 -1.737 142 1HB LEU 24 2HB LEU 24 -12.088 4.423 -2.986 143 2HB LEU 24 1HB LEU 24 -12.162 3.048 -1.885 144 HG LEU 24 HG LEU 24 -13.228 2.920 -4.704 145 1HD1 LEU 24 1HD1 LEU 24 -11.121 2.888 -5.483 146 2HD1 LEU 24 2HD1 LEU 24 -10.804 1.471 -4.487 147 3HD1 LEU 24 3HD1 LEU 24 -10.486 3.083 -3.849 148 1HD2 LEU 24 1HD2 LEU 24 -13.756 1.250 -2.729 149 2HD2 LEU 24 2HD2 LEU 24 -12.135 0.649 -3.079 150 3HD2 LEU 24 3HD2 LEU 24 -13.376 0.620 -4.333 151 H SER 25 H SER 25 -14.917 5.977 -3.478 152 HA SER 25 HA SER 25 -15.551 8.127 -2.626 153 1HB SER 25 2HB SER 25 -14.109 7.466 -0.066 154 2HB SER 25 1HB SER 25 -15.481 8.542 -0.309 155 HG SER 25 HG SER 25 -16.463 6.382 -1.088 156 HA PRO 26 HA PRO 26 -11.328 9.150 -3.928 157 1HB PRO 26 2HB PRO 26 -12.129 11.113 -5.652 158 2HB PRO 26 1HB PRO 26 -12.122 9.393 -6.087 159 1HG PRO 26 2HG PRO 26 -14.389 11.122 -5.244 160 2HG PRO 26 1HG PRO 26 -14.334 9.860 -6.484 161 1HD PRO 26 2HD PRO 26 -15.410 9.484 -4.012 162 2HD PRO 26 1HD PRO 26 -14.681 8.176 -4.970 163 H VAL 27 H VAL 27 -10.055 10.920 -3.324 164 HA VAL 27 HA VAL 27 -11.434 13.075 -1.759 165 HB VAL 27 HB VAL 27 -8.773 11.660 -1.378 166 1HG1 VAL 27 1HG1 VAL 27 -9.247 14.287 -0.788 167 2HG1 VAL 27 2HG1 VAL 27 -8.128 13.258 0.108 168 3HG1 VAL 27 3HG1 VAL 27 -9.770 13.503 0.704 169 1HG2 VAL 27 1HG2 VAL 27 -11.209 10.769 -0.647 170 2HG2 VAL 27 2HG2 VAL 27 -10.877 11.825 0.728 171 3HG2 VAL 27 3HG2 VAL 27 -9.772 10.505 0.343 172 H ASN 28 H ASN 28 -11.440 14.696 -3.356 173 HA ASN 28 HA ASN 28 -10.500 16.417 -4.682 174 1HB ASN 28 2HB ASN 28 -9.014 16.419 -2.594 175 2HB ASN 28 1HB ASN 28 -7.865 15.466 -3.532 176 1HD2 ASN 28 1HD2 ASN 28 -7.247 16.495 -5.733 177 2HD2 ASN 28 2HD2 ASN 28 -7.085 18.185 -5.771 178 H GLY 29 H GLY 29 -10.434 13.339 -5.346 179 1HA GLY 29 2HA GLY 29 -10.134 12.457 -7.579 180 2HA GLY 29 1HA GLY 29 -8.910 13.694 -7.871 181 H PHE 30 H PHE 30 -9.041 11.683 -4.974 182 HA PHE 30 HA PHE 30 -6.775 10.031 -5.963 183 1HB PHE 30 2HB PHE 30 -6.728 11.960 -3.631 184 2HB PHE 30 1HB PHE 30 -5.503 10.706 -3.869 185 HD1 PHE 30 HD1 PHE 30 -6.726 13.950 -4.926 186 HD2 PHE 30 HD2 PHE 30 -4.159 10.678 -5.975 187 HE1 PHE 30 HE1 PHE 30 -5.574 15.395 -6.567 188 HE2 PHE 30 HE2 PHE 30 -2.986 12.132 -7.621 189 HZ PHE 30 HZ PHE 30 -3.695 14.491 -7.917 190 H LEU 31 H LEU 31 -6.529 8.099 -4.852 191 HA LEU 31 HA LEU 31 -8.548 7.526 -2.691 192 1HB LEU 31 2HB LEU 31 -7.365 5.843 -4.911 193 2HB LEU 31 1HB LEU 31 -8.133 5.111 -3.503 194 HG LEU 31 HG LEU 31 -9.403 6.948 -5.536 195 1HD1 LEU 31 1HD1 LEU 31 -10.957 4.719 -5.199 196 2HD1 LEU 31 2HD1 LEU 31 -9.342 4.065 -4.911 197 3HD1 LEU 31 3HD1 LEU 31 -9.709 4.874 -6.438 198 1HD2 LEU 31 1HD2 LEU 31 -10.438 5.930 -2.872 199 2HD2 LEU 31 2HD2 LEU 31 -11.484 6.571 -4.142 200 3HD2 LEU 31 3HD2 LEU 31 -10.281 7.613 -3.379 201 H SER 32 H SER 32 -7.624 6.840 -0.773 202 HA SER 32 HA SER 32 -4.713 6.909 -0.562 203 1HB SER 32 2HB SER 32 -5.137 6.817 1.762 204 2HB SER 32 1HB SER 32 -6.560 7.637 1.126 205 HG SER 32 HG SER 32 -6.964 5.843 2.600 206 H GLY 33 H GLY 33 -3.339 5.137 -0.157 207 1HA GLY 33 2HA GLY 33 -3.775 2.710 -1.429 208 2HA GLY 33 1HA GLY 33 -2.721 2.863 -0.019 209 H ASP 34 H ASP 34 -4.998 3.812 1.628 210 HA ASP 34 HA ASP 34 -5.817 1.341 2.794 211 1HB ASP 34 2HB ASP 34 -7.230 4.019 2.926 212 2HB ASP 34 1HB ASP 34 -7.190 2.769 4.170 213 H LYS 35 H LYS 35 -7.152 3.237 0.148 214 HA LYS 35 HA LYS 35 -9.648 1.622 0.146 215 1HB LYS 35 2HB LYS 35 -8.743 3.926 -1.611 216 2HB LYS 35 1HB LYS 35 -10.393 3.339 -1.405 217 1HG LYS 35 2HG LYS 35 -9.864 3.839 1.160 218 2HG LYS 35 1HG LYS 35 -8.714 4.972 0.451 219 1HD LYS 35 2HD LYS 35 -10.584 5.909 -0.939 220 2HD LYS 35 1HD LYS 35 -11.701 4.870 -0.053 221 1HE LYS 35 2HE LYS 35 -11.343 6.023 1.988 222 2HE LYS 35 1HE LYS 35 -9.846 6.771 1.399 223 1HZ LYS 35 1HZ LYS 35 -11.671 7.495 -0.466 224 2HZ LYS 35 2HZ LYS 35 -11.147 8.476 0.819 225 3HZ LYS 35 3HZ LYS 35 -12.578 7.571 0.966 226 H VAL 36 H VAL 36 -6.668 2.251 -1.616 227 HA VAL 36 HA VAL 36 -7.413 0.534 -3.888 228 HB VAL 36 HB VAL 36 -4.825 1.835 -3.003 229 1HG1 VAL 36 1HG1 VAL 36 -4.865 -0.209 -4.649 230 2HG1 VAL 36 2HG1 VAL 36 -3.899 1.208 -5.052 231 3HG1 VAL 36 3HG1 VAL 36 -5.477 0.971 -5.804 232 1HG2 VAL 36 1HG2 VAL 36 -5.411 3.650 -4.388 233 2HG2 VAL 36 2HG2 VAL 36 -6.937 3.244 -3.600 234 3HG2 VAL 36 3HG2 VAL 36 -6.629 2.713 -5.255 235 H LYS 37 H LYS 37 -5.054 0.370 -1.196 236 HA LYS 37 HA LYS 37 -3.756 -2.008 -1.611 237 1HB LYS 37 2HB LYS 37 -3.329 -0.716 0.342 238 2HB LYS 37 1HB LYS 37 -5.003 -0.833 0.877 239 1HG LYS 37 2HG LYS 37 -4.761 -3.006 1.640 240 2HG LYS 37 1HG LYS 37 -3.448 -3.363 0.516 241 1HD LYS 37 2HD LYS 37 -1.847 -2.521 1.909 242 2HD LYS 37 1HD LYS 37 -2.893 -1.226 2.493 243 1HE LYS 37 2HE LYS 37 -4.199 -3.054 3.750 244 2HE LYS 37 1HE LYS 37 -2.814 -4.109 3.407 245 1HZ LYS 37 1HZ LYS 37 -3.005 -1.895 5.230 246 2HZ LYS 37 2HZ LYS 37 -1.662 -1.778 4.196 247 3HZ LYS 37 3HZ LYS 37 -1.867 -3.150 5.175 248 HA PRO 38 HA PRO 38 -7.421 -4.619 0.105 249 1HB PRO 38 2HB PRO 38 -9.868 -3.388 0.182 250 2HB PRO 38 1HB PRO 38 -8.757 -3.418 1.568 251 1HG PRO 38 2HG PRO 38 -9.229 -1.260 -0.438 252 2HG PRO 38 1HG PRO 38 -9.020 -1.138 1.317 253 1HD PRO 38 2HD PRO 38 -7.030 -0.566 -0.391 254 2HD PRO 38 1HD PRO 38 -6.728 -1.312 1.195 255 H VAL 39 H VAL 39 -8.020 -2.132 -2.296 256 HA VAL 39 HA VAL 39 -9.840 -3.622 -3.965 257 HB VAL 39 HB VAL 39 -8.120 -1.178 -4.088 258 1HG1 VAL 39 1HG1 VAL 39 -8.774 -2.806 -6.437 259 2HG1 VAL 39 2HG1 VAL 39 -7.662 -1.445 -6.285 260 3HG1 VAL 39 3HG1 VAL 39 -9.380 -1.156 -6.552 261 1HG2 VAL 39 1HG2 VAL 39 -10.782 -1.754 -3.541 262 2HG2 VAL 39 2HG2 VAL 39 -10.828 -1.094 -5.177 263 3HG2 VAL 39 3HG2 VAL 39 -10.118 -0.153 -3.864 264 H LEU 40 H LEU 40 -6.330 -3.431 -3.671 265 HA LEU 40 HA LEU 40 -5.871 -5.006 -6.127 266 1HB LEU 40 2HB LEU 40 -4.023 -4.039 -3.923 267 2HB LEU 40 1HB LEU 40 -3.533 -4.607 -5.521 268 HG LEU 40 HG LEU 40 -5.416 -2.284 -5.111 269 1HD1 LEU 40 1HD1 LEU 40 -2.437 -2.457 -5.131 270 2HD1 LEU 40 2HD1 LEU 40 -3.502 -1.373 -4.237 271 3HD1 LEU 40 3HD1 LEU 40 -3.194 -1.089 -5.948 272 1HD2 LEU 40 1HD2 LEU 40 -3.771 -3.271 -7.451 273 2HD2 LEU 40 2HD2 LEU 40 -4.794 -1.832 -7.458 274 3HD2 LEU 40 3HD2 LEU 40 -5.520 -3.430 -7.277 275 H LEU 41 H LEU 41 -6.020 -5.463 -2.653 276 HA LEU 41 HA LEU 41 -4.720 -8.046 -2.586 277 1HB LEU 41 2HB LEU 41 -6.612 -6.509 -0.791 278 2HB LEU 41 1HB LEU 41 -5.951 -8.082 -0.341 279 HG LEU 41 HG LEU 41 -4.156 -5.827 -1.221 280 1HD1 LEU 41 1HD1 LEU 41 -3.913 -5.129 1.069 281 2HD1 LEU 41 2HD1 LEU 41 -4.922 -6.459 1.641 282 3HD1 LEU 41 3HD1 LEU 41 -5.642 -5.139 0.717 283 1HD2 LEU 41 1HD2 LEU 41 -3.478 -8.325 -1.014 284 2HD2 LEU 41 2HD2 LEU 41 -3.600 -8.067 0.726 285 3HD2 LEU 41 3HD2 LEU 41 -2.449 -7.127 -0.225 286 H ASN 42 H ASN 42 -7.727 -6.937 -3.742 287 HA ASN 42 HA ASN 42 -9.152 -9.449 -3.197 288 1HB ASN 42 2HB ASN 42 -10.459 -7.481 -3.013 289 2HB ASN 42 1HB ASN 42 -9.779 -6.795 -4.488 290 1HD2 ASN 42 1HD2 ASN 42 -10.841 -7.262 -6.457 291 2HD2 ASN 42 2HD2 ASN 42 -12.161 -8.321 -6.593 292 H SER 43 H SER 43 -6.961 -8.376 -5.518 293 HA SER 43 HA SER 43 -8.185 -9.649 -7.864 294 1HB SER 43 2HB SER 43 -6.388 -8.664 -8.982 295 2HB SER 43 1HB SER 43 -6.548 -7.602 -7.587 296 HG SER 43 HG SER 43 -4.518 -8.126 -7.326 297 H LYS 44 H LYS 44 -7.142 -11.090 -5.212 298 HA LYS 44 HA LYS 44 -6.328 -13.260 -4.764 299 1HB LYS 44 2HB LYS 44 -7.847 -13.618 -6.791 300 2HB LYS 44 1HB LYS 44 -6.383 -13.582 -7.775 301 1HG LYS 44 2HG LYS 44 -6.547 -15.861 -7.354 302 2HG LYS 44 1HG LYS 44 -5.536 -15.357 -5.999 303 1HD LYS 44 2HD LYS 44 -8.539 -15.370 -5.752 304 2HD LYS 44 1HD LYS 44 -7.604 -16.844 -5.490 305 1HE LYS 44 2HE LYS 44 -6.174 -15.016 -4.008 306 2HE LYS 44 1HE LYS 44 -7.845 -14.465 -3.769 307 1HZ LYS 44 1HZ LYS 44 -8.462 -16.796 -3.336 308 2HZ LYS 44 2HZ LYS 44 -7.365 -16.191 -2.188 309 3HZ LYS 44 3HZ LYS 44 -6.825 -17.233 -3.417 310 H LEU 45 H LEU 45 -4.575 -10.881 -6.082 311 HA LEU 45 HA LEU 45 -2.173 -12.484 -6.806 312 1HB LEU 45 2HB LEU 45 -3.084 -9.628 -6.990 313 2HB LEU 45 1HB LEU 45 -1.362 -9.989 -7.086 314 HG LEU 45 HG LEU 45 -3.511 -11.198 -8.846 315 1HD1 LEU 45 1HD1 LEU 45 -2.088 -9.900 -10.589 316 2HD1 LEU 45 2HD1 LEU 45 -1.499 -8.987 -9.203 317 3HD1 LEU 45 3HD1 LEU 45 -3.216 -8.980 -9.594 318 1HD2 LEU 45 1HD2 LEU 45 -1.962 -12.710 -9.503 319 2HD2 LEU 45 2HD2 LEU 45 -0.970 -12.187 -8.142 320 3HD2 LEU 45 3HD2 LEU 45 -0.752 -11.450 -9.727 321 HA PRO 46 HA PRO 46 -0.379 -11.888 -2.859 322 1HB PRO 46 2HB PRO 46 2.279 -11.857 -3.515 323 2HB PRO 46 1HB PRO 46 1.297 -13.334 -3.535 324 1HG PRO 46 2HG PRO 46 2.212 -11.644 -5.783 325 2HG PRO 46 1HG PRO 46 1.977 -13.394 -5.705 326 1HD PRO 46 2HD PRO 46 0.218 -11.623 -6.879 327 2HD PRO 46 1HD PRO 46 -0.210 -13.249 -6.309 328 H VAL 47 H VAL 47 1.280 -10.314 -1.763 329 HA VAL 47 HA VAL 47 0.580 -7.603 -2.480 330 HB VAL 47 HB VAL 47 2.203 -9.055 -0.414 331 1HG1 VAL 47 1HG1 VAL 47 2.154 -6.059 -0.773 332 2HG1 VAL 47 2HG1 VAL 47 3.560 -7.084 -1.038 333 3HG1 VAL 47 3HG1 VAL 47 2.879 -6.921 0.582 334 1HG2 VAL 47 1HG2 VAL 47 -0.420 -8.123 -0.628 335 2HG2 VAL 47 2HG2 VAL 47 0.373 -6.950 0.424 336 3HG2 VAL 47 3HG2 VAL 47 0.376 -8.662 0.850 337 H ASP 48 H ASP 48 2.789 -9.734 -3.790 338 HA ASP 48 HA ASP 48 5.025 -7.887 -4.164 339 1HB ASP 48 2HB ASP 48 4.295 -10.682 -4.711 340 2HB ASP 48 1HB ASP 48 5.298 -9.952 -5.961 341 H ILE 49 H ILE 49 2.151 -8.940 -5.890 342 HA ILE 49 HA ILE 49 2.884 -7.574 -8.388 343 HB ILE 49 HB ILE 49 0.152 -8.555 -7.538 344 1HG1 ILE 49 2HG1 ILE 49 1.702 -10.349 -6.972 345 2HG1 ILE 49 1HG1 ILE 49 0.825 -10.784 -8.436 346 1HG2 ILE 49 1HG2 ILE 49 1.638 -8.257 -10.153 347 2HG2 ILE 49 2HG2 ILE 49 0.142 -7.466 -9.658 348 3HG2 ILE 49 3HG2 ILE 49 0.152 -9.194 -10.015 349 1HD1 ILE 49 1HD1 ILE 49 2.737 -9.908 -9.785 350 2HD1 ILE 49 2HD1 ILE 49 3.173 -11.280 -8.763 351 3HD1 ILE 49 3HD1 ILE 49 3.622 -9.643 -8.281 352 H LEU 50 H LEU 50 0.729 -7.132 -5.629 353 HA LEU 50 HA LEU 50 -0.440 -4.644 -6.569 354 1HB LEU 50 2HB LEU 50 -0.199 -5.718 -3.748 355 2HB LEU 50 1HB LEU 50 -1.454 -4.658 -4.388 356 HG LEU 50 HG LEU 50 -0.976 -7.558 -5.133 357 1HD1 LEU 50 1HD1 LEU 50 -3.282 -7.819 -4.218 358 2HD1 LEU 50 2HD1 LEU 50 -3.248 -6.123 -3.732 359 3HD1 LEU 50 3HD1 LEU 50 -2.125 -7.272 -3.004 360 1HD2 LEU 50 1HD2 LEU 50 -1.962 -7.069 -7.105 361 2HD2 LEU 50 2HD2 LEU 50 -2.219 -5.395 -6.612 362 3HD2 LEU 50 3HD2 LEU 50 -3.413 -6.628 -6.205 363 H GLY 51 H GLY 51 2.422 -5.585 -4.786 364 1HA GLY 51 2HA GLY 51 2.953 -2.943 -3.675 365 2HA GLY 51 1HA GLY 51 4.112 -4.275 -3.771 366 H ARG 52 H ARG 52 3.470 -4.587 -6.666 367 HA ARG 52 HA ARG 52 5.283 -2.451 -7.666 368 1HB ARG 52 2HB ARG 52 5.015 -5.257 -7.994 369 2HB ARG 52 1HB ARG 52 4.643 -4.521 -9.554 370 1HG ARG 52 2HG ARG 52 6.766 -3.070 -9.076 371 2HG ARG 52 1HG ARG 52 7.176 -4.363 -7.950 372 1HD ARG 52 2HD ARG 52 6.282 -5.352 -10.577 373 2HD ARG 52 1HD ARG 52 7.781 -4.404 -10.637 374 HE ARG 52 HE ARG 52 8.826 -6.193 -9.526 375 1HH1 ARG 52 1HH2 ARG 52 5.510 -6.819 -9.600 376 2HH1 ARG 52 2HH2 ARG 52 5.513 -7.895 -8.243 377 1HH2 ARG 52 2HH1 ARG 52 8.823 -7.265 -7.414 378 2HH2 ARG 52 1HH1 ARG 52 7.391 -8.149 -7.005 379 H VAL 53 H VAL 53 2.027 -3.769 -8.022 380 HA VAL 53 HA VAL 53 1.454 -2.346 -10.499 381 HB VAL 53 HB VAL 53 -0.152 -3.744 -8.355 382 1HG1 VAL 53 1HG1 VAL 53 -1.774 -3.192 -10.638 383 2HG1 VAL 53 2HG1 VAL 53 -1.102 -1.660 -10.088 384 3HG1 VAL 53 3HG1 VAL 53 -2.032 -2.663 -8.976 385 1HG2 VAL 53 1HG2 VAL 53 1.223 -4.567 -10.639 386 2HG2 VAL 53 2HG2 VAL 53 -0.463 -4.515 -11.166 387 3HG2 VAL 53 3HG2 VAL 53 0.001 -5.503 -9.776 388 H TRP 54 H TRP 54 0.975 -1.681 -7.023 389 HA TRP 54 HA TRP 54 -0.465 0.791 -7.380 390 1HB TRP 54 2HB TRP 54 -0.510 -0.129 -5.199 391 2HB TRP 54 1HB TRP 54 1.228 -0.437 -5.198 392 HD1 TRP 54 HD1 TRP 54 2.834 1.791 -5.149 393 HE1 TRP 54 HE1 TRP 54 2.466 4.060 -4.018 394 HE3 TRP 54 HE3 TRP 54 -2.209 1.572 -4.345 395 HZ2 TRP 54 HZ2 TRP 54 0.334 5.578 -2.876 396 HZ3 TRP 54 HZ3 TRP 54 -3.377 3.459 -3.197 397 HH2 TRP 54 HH2 TRP 54 -2.110 5.444 -2.477 398 H GLU 55 H GLU 55 3.010 0.098 -6.774 399 HA GLU 55 HA GLU 55 3.951 2.760 -6.899 400 1HB GLU 55 2HB GLU 55 5.242 0.171 -7.809 401 2HB GLU 55 1HB GLU 55 6.104 1.664 -7.423 402 1HG GLU 55 2HG GLU 55 4.218 0.583 -5.383 403 2HG GLU 55 1HG GLU 55 5.759 -0.248 -5.598 404 H LEU 56 H LEU 56 3.837 0.355 -9.535 405 HA LEU 56 HA LEU 56 4.568 2.223 -11.593 406 1HB LEU 56 2HB LEU 56 2.941 -0.344 -11.721 407 2HB LEU 56 1HB LEU 56 3.805 0.407 -13.065 408 HG LEU 56 HG LEU 56 5.255 -0.335 -10.531 409 1HD1 LEU 56 1HD1 LEU 56 3.898 -2.234 -11.922 410 2HD1 LEU 56 2HD1 LEU 56 5.429 -2.537 -11.098 411 3HD1 LEU 56 3HD1 LEU 56 5.411 -2.197 -12.829 412 1HD2 LEU 56 1HD2 LEU 56 6.802 -0.716 -12.869 413 2HD2 LEU 56 2HD2 LEU 56 6.944 0.603 -11.706 414 3HD2 LEU 56 3HD2 LEU 56 5.908 0.785 -13.125 415 H SER 57 H SER 57 1.752 1.832 -9.713 416 HA SER 57 HA SER 57 -0.068 3.077 -11.709 417 1HB SER 57 2HB SER 57 -1.161 1.387 -10.530 418 2HB SER 57 1HB SER 57 -0.263 1.706 -9.047 419 HG SER 57 HG SER 57 -2.156 3.481 -10.201 420 H ASP 58 H ASP 58 1.718 3.729 -8.761 421 HA ASP 58 HA ASP 58 0.454 6.265 -8.131 422 1HB ASP 58 2HB ASP 58 1.987 4.470 -6.819 423 2HB ASP 58 1HB ASP 58 3.239 5.622 -7.288 424 H ILE 59 H ILE 59 0.602 7.719 -9.883 425 HA ILE 59 HA ILE 59 3.082 8.031 -11.402 426 HB ILE 59 HB ILE 59 0.570 9.722 -11.264 427 1HG1 ILE 59 2HG1 ILE 59 0.193 7.270 -11.763 428 2HG1 ILE 59 1HG1 ILE 59 -0.286 8.353 -13.069 429 1HG2 ILE 59 1HG2 ILE 59 1.488 9.879 -13.809 430 2HG2 ILE 59 2HG2 ILE 59 3.012 9.697 -12.936 431 3HG2 ILE 59 3HG2 ILE 59 1.924 11.029 -12.544 432 1HD1 ILE 59 1HD1 ILE 59 0.962 6.467 -13.992 433 2HD1 ILE 59 2HD1 ILE 59 2.310 6.791 -12.898 434 3HD1 ILE 59 3HD1 ILE 59 1.913 7.944 -14.175 435 H ASP 60 H ASP 60 1.530 9.652 -8.668 436 HA ASP 60 HA ASP 60 3.605 11.802 -8.733 437 1HB ASP 60 2HB ASP 60 1.355 11.661 -6.751 438 2HB ASP 60 1HB ASP 60 2.069 13.073 -7.525 439 H HIS 61 H HIS 61 2.733 8.906 -7.051 440 HA HIS 61 HA HIS 61 3.825 7.791 -5.260 441 1HB HIS 61 2HB HIS 61 5.836 10.052 -5.375 442 2HB HIS 61 1HB HIS 61 6.110 8.376 -4.906 443 HD1 HIS 61 HD1 HIS 61 7.590 9.933 -7.292 444 HD2 HIS 61 HD2 HIS 61 4.479 7.192 -7.685 445 HE1 HIS 61 HE1 HIS 61 7.748 9.007 -9.644 446 H ASP 62 H ASP 62 1.733 9.658 -4.689 447 HA ASP 62 HA ASP 62 2.689 11.141 -2.281 448 1HB ASP 62 2HB ASP 62 0.431 12.211 -2.501 449 2HB ASP 62 1HB ASP 62 1.408 12.370 -3.962 450 H GLY 63 H GLY 63 1.372 8.153 -3.064 451 1HA GLY 63 2HA GLY 63 0.828 6.497 -1.390 452 2HA GLY 63 1HA GLY 63 0.435 7.800 -0.272 453 H MET 64 H MET 64 -0.785 7.898 -3.552 454 HA MET 64 HA MET 64 -3.393 6.773 -2.748 455 1HB MET 64 2HB MET 64 -3.430 9.545 -3.884 456 2HB MET 64 1HB MET 64 -4.592 8.760 -2.819 457 1HG MET 64 2HG MET 64 -3.165 9.041 -0.916 458 2HG MET 64 1HG MET 64 -1.815 9.559 -1.926 459 1HE MET 64 1HE MET 64 -4.867 10.038 -0.215 460 2HE MET 64 2HE MET 64 -5.804 10.910 -1.424 461 3HE MET 64 3HE MET 64 -5.129 11.779 -0.049 462 H LEU 65 H LEU 65 -4.878 6.608 -4.624 463 HA LEU 65 HA LEU 65 -3.419 6.658 -7.251 464 1HB LEU 65 2HB LEU 65 -5.385 4.741 -5.983 465 2HB LEU 65 1HB LEU 65 -5.127 4.755 -7.726 466 HG LEU 65 HG LEU 65 -3.097 4.170 -5.559 467 1HD1 LEU 65 1HD1 LEU 65 -3.032 2.016 -6.475 468 2HD1 LEU 65 2HD1 LEU 65 -3.671 2.552 -8.029 469 3HD1 LEU 65 3HD1 LEU 65 -4.740 2.432 -6.631 470 1HD2 LEU 65 1HD2 LEU 65 -2.705 4.826 -8.489 471 2HD2 LEU 65 2HD2 LEU 65 -1.518 3.910 -7.561 472 3HD2 LEU 65 3HD2 LEU 65 -1.912 5.564 -7.098 473 H ASP 66 H ASP 66 -4.256 8.612 -8.124 474 HA ASP 66 HA ASP 66 -7.000 9.449 -7.729 475 1HB ASP 66 2HB ASP 66 -6.393 11.188 -9.347 476 2HB ASP 66 1HB ASP 66 -5.080 10.955 -8.200 477 H ARG 67 H ARG 67 -8.489 9.803 -9.625 478 HA ARG 67 HA ARG 67 -9.535 7.571 -10.771 479 1HB ARG 67 2HB ARG 67 -10.356 9.092 -12.558 480 2HB ARG 67 1HB ARG 67 -10.449 9.829 -10.959 481 1HG ARG 67 2HG ARG 67 -8.196 10.887 -11.425 482 2HG ARG 67 1HG ARG 67 -8.352 10.317 -13.087 483 1HD ARG 67 2HD ARG 67 -10.240 11.700 -13.505 484 2HD ARG 67 1HD ARG 67 -10.510 11.990 -11.775 485 HE ARG 67 HE ARG 67 -8.144 13.038 -13.285 486 1HH1 ARG 67 1HH2 ARG 67 -10.339 14.936 -12.628 487 2HH1 ARG 67 2HH2 ARG 67 -9.807 15.621 -11.128 488 1HH2 ARG 67 2HH1 ARG 67 -7.482 13.122 -10.511 489 2HH2 ARG 67 1HH1 ARG 67 -8.190 14.592 -9.929 490 H ASP 68 H ASP 68 -6.898 9.445 -12.298 491 HA ASP 68 HA ASP 68 -6.675 7.609 -14.548 492 1HB ASP 68 2HB ASP 68 -5.082 9.919 -13.427 493 2HB ASP 68 1HB ASP 68 -4.525 9.018 -14.839 494 H GLU 69 H GLU 69 -4.933 8.074 -11.489 495 HA GLU 69 HA GLU 69 -2.849 6.140 -12.085 496 1HB GLU 69 2HB GLU 69 -3.955 7.433 -9.579 497 2HB GLU 69 1HB GLU 69 -2.557 6.355 -9.555 498 1HG GLU 69 2HG GLU 69 -1.536 7.842 -11.351 499 2HG GLU 69 1HG GLU 69 -2.831 8.987 -11.011 500 H PHE 70 H PHE 70 -5.888 6.042 -10.233 501 HA PHE 70 HA PHE 70 -5.734 3.321 -9.375 502 1HB PHE 70 2HB PHE 70 -7.323 5.313 -8.790 503 2HB PHE 70 1HB PHE 70 -8.258 4.778 -10.186 504 HD1 PHE 70 HD1 PHE 70 -7.473 4.193 -6.719 505 HD2 PHE 70 HD2 PHE 70 -9.064 2.359 -10.260 506 HE1 PHE 70 HE1 PHE 70 -8.524 2.430 -5.332 507 HE2 PHE 70 HE2 PHE 70 -10.117 0.594 -8.871 508 HZ PHE 70 HZ PHE 70 -9.847 0.636 -6.409 509 H ALA 71 H ALA 71 -6.224 4.752 -12.480 510 HA ALA 71 HA ALA 71 -7.671 2.498 -13.671 511 1HB ALA 71 1HB ALA 71 -7.514 5.054 -14.303 512 2HB ALA 71 2HB ALA 71 -7.622 3.855 -15.592 513 3HB ALA 71 3HB ALA 71 -6.059 4.555 -15.167 514 H VAL 72 H VAL 72 -4.350 3.746 -13.744 515 HA VAL 72 HA VAL 72 -3.201 1.769 -15.452 516 HB VAL 72 HB VAL 72 -1.996 3.299 -13.118 517 1HG1 VAL 72 1HG1 VAL 72 -0.525 1.540 -13.970 518 2HG1 VAL 72 2HG1 VAL 72 0.091 3.120 -14.454 519 3HG1 VAL 72 3HG1 VAL 72 -0.765 2.112 -15.620 520 1HG2 VAL 72 1HG2 VAL 72 -1.421 5.003 -14.834 521 2HG2 VAL 72 2HG2 VAL 72 -3.169 4.811 -14.666 522 3HG2 VAL 72 3HG2 VAL 72 -2.331 4.082 -16.034 523 H ALA 73 H ALA 73 -4.086 1.732 -12.061 524 HA ALA 73 HA ALA 73 -2.543 -0.726 -11.499 525 1HB ALA 73 1HB ALA 73 -3.136 -0.247 -9.254 526 2HB ALA 73 2HB ALA 73 -4.557 0.680 -9.742 527 3HB ALA 73 3HB ALA 73 -2.940 1.337 -10.004 528 H MET 74 H MET 74 -5.614 0.002 -12.797 529 HA MET 74 HA MET 74 -7.038 -2.275 -11.599 530 1HB MET 74 2HB MET 74 -7.607 -0.266 -13.792 531 2HB MET 74 1HB MET 74 -8.755 -1.525 -13.332 532 1HG MET 74 2HG MET 74 -7.620 0.054 -11.099 533 2HG MET 74 1HG MET 74 -8.705 0.931 -12.179 534 1HE MET 74 1HE MET 74 -9.549 -1.801 -8.854 535 2HE MET 74 2HE MET 74 -8.060 -1.054 -9.435 536 3HE MET 74 3HE MET 74 -8.558 -2.622 -10.069 537 H PHE 75 H PHE 75 -5.758 -1.466 -14.838 538 HA PHE 75 HA PHE 75 -6.362 -4.122 -15.881 539 1HB PHE 75 2HB PHE 75 -5.597 -3.200 -17.888 540 2HB PHE 75 1HB PHE 75 -6.032 -1.735 -17.012 541 HD1 PHE 75 HD1 PHE 75 -3.253 -3.841 -18.196 542 HD2 PHE 75 HD2 PHE 75 -4.336 -0.262 -16.088 543 HE1 PHE 75 HE1 PHE 75 -0.913 -3.042 -18.354 544 HE2 PHE 75 HE2 PHE 75 -2.001 0.539 -16.245 545 HZ PHE 75 HZ PHE 75 -0.284 -0.856 -17.376 546 H LEU 76 H LEU 76 -3.710 -2.507 -14.284 547 HA LEU 76 HA LEU 76 -1.624 -4.419 -14.819 548 1HB LEU 76 2HB LEU 76 -2.209 -2.127 -13.039 549 2HB LEU 76 1HB LEU 76 -1.033 -3.277 -12.406 550 HG LEU 76 HG LEU 76 -0.881 -2.002 -15.152 551 1HD1 LEU 76 1HD1 LEU 76 1.090 -1.437 -12.981 552 2HD1 LEU 76 2HD1 LEU 76 -0.480 -0.639 -12.879 553 3HD1 LEU 76 3HD1 LEU 76 0.540 -0.398 -14.297 554 1HD2 LEU 76 1HD2 LEU 76 0.215 -4.358 -14.343 555 2HD2 LEU 76 2HD2 LEU 76 1.475 -3.232 -13.837 556 3HD2 LEU 76 3HD2 LEU 76 0.971 -3.291 -15.526 557 H VAL 77 H VAL 77 -4.286 -4.220 -12.561 558 HA VAL 77 HA VAL 77 -3.332 -6.523 -10.965 559 HB VAL 77 HB VAL 77 -5.691 -4.618 -10.904 560 1HG1 VAL 77 1HG1 VAL 77 -6.390 -6.905 -10.170 561 2HG1 VAL 77 2HG1 VAL 77 -6.432 -5.728 -8.857 562 3HG1 VAL 77 3HG1 VAL 77 -5.101 -6.881 -8.966 563 1HG2 VAL 77 1HG2 VAL 77 -3.876 -5.004 -8.589 564 2HG2 VAL 77 2HG2 VAL 77 -4.537 -3.516 -9.269 565 3HG2 VAL 77 3HG2 VAL 77 -3.140 -4.285 -10.021 566 H TYR 78 H TYR 78 -5.546 -5.813 -13.568 567 HA TYR 78 HA TYR 78 -6.983 -8.377 -13.253 568 1HB TYR 78 2HB TYR 78 -7.264 -5.811 -14.651 569 2HB TYR 78 1HB TYR 78 -7.733 -7.194 -15.644 570 HD1 TYR 78 HD1 TYR 78 -9.126 -4.833 -13.644 571 HD2 TYR 78 HD2 TYR 78 -8.887 -9.114 -13.924 572 HE1 TYR 78 HE1 TYR 78 -11.241 -5.031 -12.367 573 HE2 TYR 78 HE2 TYR 78 -11.007 -9.314 -12.647 574 HH TYR 78 HH TYR 78 -12.234 -7.646 -10.846 575 H CYS 79 H CYS 79 -4.462 -6.922 -15.222 576 HA CYS 79 HA CYS 79 -4.430 -9.159 -17.138 577 1HB CYS 79 2HB CYS 79 -2.586 -6.786 -16.661 578 2HB CYS 79 1HB CYS 79 -2.524 -7.851 -18.067 579 HG CYS 79 HG CYS 79 -4.843 -6.962 -18.821 580 H ALA 80 H ALA 80 -3.060 -8.437 -14.048 581 HA ALA 80 HA ALA 80 -0.698 -10.156 -14.409 582 1HB ALA 80 1HB ALA 80 -0.538 -8.309 -12.874 583 2HB ALA 80 2HB ALA 80 -0.607 -9.762 -11.877 584 3HB ALA 80 3HB ALA 80 -2.046 -8.761 -12.079 585 H LEU 81 H LEU 81 -4.009 -10.556 -13.913 586 HA LEU 81 HA LEU 81 -3.819 -13.066 -12.371 587 1HB LEU 81 2HB LEU 81 -6.273 -11.900 -13.665 588 2HB LEU 81 1HB LEU 81 -6.155 -12.804 -12.157 589 HG LEU 81 HG LEU 81 -5.325 -9.957 -12.695 590 1HD1 LEU 81 1HD1 LEU 81 -7.342 -9.567 -11.769 591 2HD1 LEU 81 2HD1 LEU 81 -6.723 -10.249 -10.267 592 3HD1 LEU 81 3HD1 LEU 81 -7.564 -11.282 -11.423 593 1HD2 LEU 81 1HD2 LEU 81 -3.499 -10.782 -11.430 594 2HD2 LEU 81 2HD2 LEU 81 -4.536 -11.827 -10.460 595 3HD2 LEU 81 3HD2 LEU 81 -4.575 -10.081 -10.223 596 H GLU 82 H GLU 82 -5.008 -11.975 -15.561 597 HA GLU 82 HA GLU 82 -4.627 -14.791 -16.540 598 1HB GLU 82 2HB GLU 82 -6.720 -13.058 -17.750 599 2HB GLU 82 1HB GLU 82 -6.761 -14.785 -17.403 600 1HG GLU 82 2HG GLU 82 -6.955 -12.595 -15.312 601 2HG GLU 82 1HG GLU 82 -8.333 -13.477 -15.973 602 H LYS 83 H LYS 83 -2.769 -12.429 -16.886 603 HA LYS 83 HA LYS 83 -2.650 -12.598 -19.849 604 1HB LYS 83 2HB LYS 83 -4.088 -10.683 -19.403 605 2HB LYS 83 1HB LYS 83 -2.906 -10.019 -18.277 606 1HG LYS 83 2HG LYS 83 -1.870 -8.980 -19.977 607 2HG LYS 83 1HG LYS 83 -1.556 -10.543 -20.734 608 1HD LYS 83 2HD LYS 83 -3.829 -10.476 -21.749 609 2HD LYS 83 1HD LYS 83 -4.066 -8.871 -21.056 610 1HE LYS 83 2HE LYS 83 -2.830 -7.887 -22.689 611 2HE LYS 83 1HE LYS 83 -1.543 -9.101 -22.543 612 1HZ LYS 83 1HZ LYS 83 -2.926 -9.106 -24.678 613 2HZ LYS 83 2HZ LYS 83 -4.165 -9.776 -23.729 614 3HZ LYS 83 3HZ LYS 83 -2.684 -10.593 -23.897 615 H GLU 84 H GLU 84 -1.056 -10.101 -17.961 616 HA GLU 84 HA GLU 84 1.491 -11.675 -18.089 617 1HB GLU 84 2HB GLU 84 2.601 -9.757 -19.042 618 2HB GLU 84 1HB GLU 84 1.144 -10.032 -19.997 619 1HG GLU 84 2HG GLU 84 0.356 -8.363 -17.862 620 2HG GLU 84 1HG GLU 84 1.882 -7.705 -18.448 621 HA PRO 85 HA PRO 85 2.082 -10.353 -13.960 622 1HB PRO 85 2HB PRO 85 4.814 -10.092 -13.894 623 2HB PRO 85 1HB PRO 85 3.987 -11.663 -13.909 624 1HG PRO 85 2HG PRO 85 5.222 -10.158 -16.175 625 2HG PRO 85 1HG PRO 85 5.316 -11.885 -15.788 626 1HD PRO 85 2HD PRO 85 3.661 -10.954 -17.691 627 2HD PRO 85 1HD PRO 85 3.216 -12.333 -16.655 628 H VAL 86 H VAL 86 4.099 -8.596 -13.025 629 HA VAL 86 HA VAL 86 3.242 -6.021 -14.298 630 HB VAL 86 HB VAL 86 4.113 -6.720 -11.470 631 1HG1 VAL 86 1HG1 VAL 86 4.650 -4.412 -11.930 632 2HG1 VAL 86 2HG1 VAL 86 3.156 -4.424 -10.992 633 3HG1 VAL 86 3HG1 VAL 86 3.101 -4.157 -12.735 634 1HG2 VAL 86 1HG2 VAL 86 1.706 -6.331 -10.951 635 2HG2 VAL 86 2HG2 VAL 86 1.938 -7.689 -12.050 636 3HG2 VAL 86 3HG2 VAL 86 1.388 -6.134 -12.674 637 HA PRO 87 HA PRO 87 7.552 -5.440 -15.007 638 1HB PRO 87 2HB PRO 87 7.439 -2.850 -15.885 639 2HB PRO 87 1HB PRO 87 6.896 -4.225 -16.863 640 1HG PRO 87 2HG PRO 87 5.322 -2.161 -15.520 641 2HG PRO 87 1HG PRO 87 4.870 -3.243 -16.841 642 1HD PRO 87 2HD PRO 87 4.222 -3.473 -14.062 643 2HD PRO 87 1HD PRO 87 3.753 -4.558 -15.390 644 H MET 88 H MET 88 9.050 -3.186 -14.577 645 HA MET 88 HA MET 88 8.573 -2.574 -11.675 646 1HB MET 88 2HB MET 88 11.228 -2.836 -13.082 647 2HB MET 88 1HB MET 88 10.922 -2.849 -11.347 648 1HG MET 88 2HG MET 88 10.614 -5.080 -11.381 649 2HG MET 88 1HG MET 88 9.360 -4.917 -12.608 650 1HE MET 88 1HE MET 88 11.532 -7.696 -13.078 651 2HE MET 88 2HE MET 88 10.717 -7.378 -14.607 652 3HE MET 88 3HE MET 88 9.886 -7.050 -13.089 653 H SER 89 H SER 89 8.249 -1.042 -14.484 654 HA SER 89 HA SER 89 9.115 1.519 -13.329 655 1HB SER 89 2HB SER 89 11.177 0.672 -14.260 656 2HB SER 89 1HB SER 89 10.369 0.292 -15.776 657 HG SER 89 HG SER 89 10.567 2.899 -14.663 658 H LEU 90 H LEU 90 6.798 0.063 -14.587 659 HA LEU 90 HA LEU 90 4.877 0.696 -15.811 660 1HB LEU 90 2HB LEU 90 6.304 3.145 -14.942 661 2HB LEU 90 1HB LEU 90 5.134 3.383 -16.237 662 HG LEU 90 HG LEU 90 4.637 2.237 -13.482 663 1HD1 LEU 90 1HD1 LEU 90 2.738 4.165 -14.149 664 2HD1 LEU 90 2HD1 LEU 90 4.234 4.793 -14.839 665 3HD1 LEU 90 3HD1 LEU 90 4.147 4.415 -13.119 666 1HD2 LEU 90 1HD2 LEU 90 2.197 2.194 -14.499 667 2HD2 LEU 90 2HD2 LEU 90 3.283 0.832 -14.770 668 3HD2 LEU 90 3HD2 LEU 90 3.057 2.041 -16.029 669 HA PRO 91 HA PRO 91 6.644 0.538 -19.918 670 1HB PRO 91 2HB PRO 91 4.300 -0.070 -21.201 671 2HB PRO 91 1HB PRO 91 5.264 -1.273 -20.321 672 1HG PRO 91 2HG PRO 91 2.801 0.161 -19.474 673 2HG PRO 91 1HG PRO 91 3.286 -1.514 -19.186 674 1HD PRO 91 2HD PRO 91 3.493 0.454 -17.307 675 2HD PRO 91 1HD PRO 91 4.551 -0.975 -17.353 676 HA PRO 92 HA PRO 92 5.688 4.617 -21.276 677 1HB PRO 92 2HB PRO 92 6.465 4.414 -23.882 678 2HB PRO 92 1HB PRO 92 7.620 4.491 -22.537 679 1HG PRO 92 2HG PRO 92 6.646 2.131 -24.068 680 2HG PRO 92 1HG PRO 92 8.279 2.501 -23.493 681 1HD PRO 92 2HD PRO 92 6.636 0.746 -22.242 682 2HD PRO 92 1HD PRO 92 7.851 1.716 -21.378 683 H ALA 93 H ALA 93 3.953 1.946 -22.234 684 HA ALA 93 HA ALA 93 2.252 3.475 -24.161 685 1HB ALA 93 1HB ALA 93 3.289 0.846 -24.063 686 2HB ALA 93 2HB ALA 93 2.131 1.482 -25.232 687 3HB ALA 93 3HB ALA 93 1.558 0.688 -23.764 688 H LEU 94 H LEU 94 2.438 3.239 -20.995 689 HA LEU 94 HA LEU 94 -0.531 3.086 -20.599 690 1HB LEU 94 2HB LEU 94 0.279 0.990 -19.887 691 2HB LEU 94 1HB LEU 94 1.773 1.678 -19.267 692 HG LEU 94 HG LEU 94 0.058 0.915 -17.542 693 1HD1 LEU 94 1HD1 LEU 94 0.425 3.686 -16.813 694 2HD1 LEU 94 2HD1 LEU 94 1.871 3.050 -17.607 695 3HD1 LEU 94 3HD1 LEU 94 1.214 2.248 -16.179 696 1HD2 LEU 94 1HD2 LEU 94 -1.394 3.359 -17.445 697 2HD2 LEU 94 2HD2 LEU 94 -2.025 1.733 -17.684 698 3HD2 LEU 94 3HD2 LEU 94 -1.557 2.710 -19.075 699 H VAL 95 H VAL 95 2.341 4.846 -20.202 700 HA VAL 95 HA VAL 95 1.522 6.234 -17.721 701 HB VAL 95 HB VAL 95 3.818 6.792 -19.622 702 1HG1 VAL 95 1HG1 VAL 95 2.940 8.063 -17.275 703 2HG1 VAL 95 2HG1 VAL 95 4.506 8.263 -18.057 704 3HG1 VAL 95 3HG1 VAL 95 4.306 7.071 -16.772 705 1HG2 VAL 95 1HG2 VAL 95 4.579 5.256 -17.314 706 2HG2 VAL 95 2HG2 VAL 95 4.768 4.842 -19.018 707 3HG2 VAL 95 3HG2 VAL 95 3.287 4.409 -18.165 708 HA PRO 96 HA PRO 96 -0.714 9.313 -20.012 709 1HB PRO 96 2HB PRO 96 -0.894 11.157 -17.986 710 2HB PRO 96 1HB PRO 96 -1.914 9.707 -18.075 711 1HG PRO 96 2HG PRO 96 0.571 10.173 -16.487 712 2HG PRO 96 1HG PRO 96 -0.943 9.391 -16.001 713 1HD PRO 96 2HD PRO 96 1.231 7.965 -16.666 714 2HD PRO 96 1HD PRO 96 -0.410 7.403 -17.050 715 HA PRO 97 HA PRO 97 2.204 12.317 -21.303 716 1HB PRO 97 2HB PRO 97 0.771 14.642 -21.455 717 2HB PRO 97 1HB PRO 97 0.558 13.297 -22.594 718 1HG PRO 97 2HG PRO 97 -1.093 14.058 -20.238 719 2HG PRO 97 1HG PRO 97 -1.600 13.457 -21.824 720 1HD PRO 97 2HD PRO 97 -1.491 11.896 -19.593 721 2HD PRO 97 1HD PRO 97 -1.281 11.267 -21.242 722 H SER 98 H SER 98 0.675 12.790 -18.244 723 HA SER 98 HA SER 98 1.981 15.224 -17.433 724 1HB SER 98 2HB SER 98 0.669 12.874 -16.087 725 2HB SER 98 1HB SER 98 1.477 14.099 -15.114 726 HG SER 98 HG SER 98 -0.560 14.837 -15.337 727 H LYS 99 H LYS 99 3.051 11.927 -17.688 728 HA LYS 99 HA LYS 99 5.454 12.454 -16.020 729 1HB LYS 99 2HB LYS 99 3.803 10.225 -16.748 730 2HB LYS 99 1HB LYS 99 5.448 9.895 -17.292 731 1HG LYS 99 2HG LYS 99 5.599 11.073 -14.691 732 2HG LYS 99 1HG LYS 99 4.418 9.763 -14.632 733 1HD LYS 99 2HD LYS 99 6.118 8.301 -15.802 734 2HD LYS 99 1HD LYS 99 7.293 9.597 -15.567 735 1HE LYS 99 2HE LYS 99 6.618 9.483 -13.060 736 2HE LYS 99 1HE LYS 99 5.927 7.900 -13.475 737 1HZ LYS 99 1HZ LYS 99 8.121 7.380 -13.008 738 2HZ LYS 99 2HZ LYS 99 8.726 8.814 -13.691 739 3HZ LYS 99 3HZ LYS 99 8.156 7.566 -14.693 740 H ARG 100 H ARG 100 4.648 13.375 -18.974 741 HA ARG 100 HA ARG 100 6.672 12.251 -20.702 742 1HB ARG 100 2HB ARG 100 4.960 14.742 -20.691 743 2HB ARG 100 1HB ARG 100 6.068 14.383 -22.016 744 1HG ARG 100 2HG ARG 100 4.036 12.371 -21.049 745 2HG ARG 100 1HG ARG 100 3.649 13.563 -22.291 746 1HD ARG 100 2HD ARG 100 4.733 12.349 -23.868 747 2HD ARG 100 1HD ARG 100 6.189 12.250 -22.857 748 HE ARG 100 HE ARG 100 4.837 10.438 -21.566 749 1HH1 ARG 100 1HH2 ARG 100 6.186 9.603 -24.186 750 2HH1 ARG 100 2HH2 ARG 100 4.908 8.709 -24.941 751 1HH2 ARG 100 2HH1 ARG 100 2.443 9.953 -22.845 752 2HH2 ARG 100 1HH1 ARG 100 2.789 8.908 -24.182 753 H SER 107 1H SER 107 7.868 4.969 0.170 754 HA SER 107 HA SER 107 6.553 6.564 -1.959 755 1HB SER 107 2HB SER 107 8.610 4.977 -2.504 756 2HB SER 107 1HB SER 107 7.411 3.706 -2.277 757 HG SER 107 HG SER 107 6.362 4.371 -4.014 758 H THR 108 H THR 108 5.848 5.653 0.837 759 HA THR 108 HA THR 108 4.117 4.483 1.949 760 HB THR 108 HB THR 108 2.078 4.574 0.101 761 HG1 THR 108 HG1 THR 108 2.935 5.536 -1.560 762 1HG2 THR 108 1HG2 THR 108 1.408 5.928 1.761 763 2HG2 THR 108 2HG2 THR 108 2.416 7.207 1.084 764 3HG2 THR 108 3HG2 THR 108 3.073 6.123 2.310 765 H ASN 109 H ASN 109 2.888 3.456 -1.177 766 HA ASN 109 HA ASN 109 2.430 1.265 -1.953 767 1HB ASN 109 2HB ASN 109 4.962 1.730 -2.204 768 2HB ASN 109 1HB ASN 109 5.165 0.669 -0.809 769 1HD2 ASN 109 1HD2 ASN 109 2.903 0.439 -3.609 770 2HD2 ASN 109 2HD2 ASN 109 3.420 -1.106 -4.086 771 HA PRO 110 HA PRO 110 1.242 -0.070 2.310 772 1HB PRO 110 2HB PRO 110 -1.339 -0.638 1.597 773 2HB PRO 110 1HB PRO 110 -0.796 0.991 2.045 774 1HG PRO 110 2HG PRO 110 -1.166 -0.192 -0.672 775 2HG PRO 110 1HG PRO 110 -1.656 1.395 -0.062 776 1HD PRO 110 2HD PRO 110 0.545 1.094 -1.558 777 2HD PRO 110 1HD PRO 110 0.473 2.272 -0.230 778 H PHE 111 H PHE 111 2.009 -1.689 -0.468 779 HA PHE 111 HA PHE 111 0.805 -4.274 0.406 780 1HB PHE 111 2HB PHE 111 2.383 -3.807 -2.132 781 2HB PHE 111 1HB PHE 111 1.105 -4.988 -1.836 782 HD1 PHE 111 HD1 PHE 111 1.786 -1.353 -2.260 783 HD2 PHE 111 HD2 PHE 111 -1.212 -4.439 -2.234 784 HE1 PHE 111 HE1 PHE 111 0.108 0.255 -3.096 785 HE2 PHE 111 HE2 PHE 111 -2.879 -2.815 -3.063 786 HZ PHE 111 HZ PHE 111 -2.218 -0.465 -3.491 787 H ARG 112 HN ARG 112 3.915 -3.301 -1.054 788 HA ARG 112 HA ARG 112 5.473 -5.403 -0.056 789 1HB ARG 112 2HB ARG 112 5.837 -2.709 -1.126 790 2HB ARG 112 1HB ARG 112 7.132 -3.169 -0.022 791 1HG ARG 112 2HG ARG 112 7.176 -5.403 -1.341 792 2HG ARG 112 1HG ARG 112 6.267 -4.526 -2.573 793 1HD ARG 112 2HD ARG 112 8.162 -2.713 -2.287 794 2HD ARG 112 1HD ARG 112 9.089 -4.080 -1.634 795 HE ARG 112 HE ARG 112 7.841 -4.052 -4.356 796 1HH1 ARG 112 1HH2 ARG 112 9.247 -6.103 -2.107 797 2HH1 ARG 112 2HH2 ARG 112 10.467 -6.722 -3.170 798 1HH2 ARG 112 1HH1 ARG 112 9.778 -4.464 -5.710 799 2HH2 ARG 112 2HH1 ARG 112 10.767 -5.794 -5.208 Start of MODEL 6 1 HA PRO 6 HA PRO 6 -2.039 6.408 -27.157 2 1HB PRO 6 2HB PRO 6 -1.957 3.676 -27.084 3 2HB PRO 6 1HB PRO 6 -2.129 4.593 -28.594 4 1HG PRO 6 2HG PRO 6 0.254 3.239 -27.466 5 2HG PRO 6 1HG PRO 6 -0.230 3.461 -29.153 6 1HD PRO 6 2HD PRO 6 1.706 4.942 -27.839 7 2HD PRO 6 1HD PRO 6 0.869 5.438 -29.324 8 H TRP 7 H TRP 7 -3.042 5.537 -25.152 9 HA TRP 7 HA TRP 7 -1.090 5.432 -22.915 10 1HB TRP 7 2HB TRP 7 -2.996 7.002 -22.854 11 2HB TRP 7 1HB TRP 7 -4.120 5.650 -23.010 12 HD1 TRP 7 HD1 TRP 7 -1.118 4.945 -20.923 13 HE1 TRP 7 HE1 TRP 7 -1.759 4.865 -18.429 14 HE3 TRP 7 HE3 TRP 7 -5.853 6.818 -21.191 15 HZ2 TRP 7 HZ2 TRP 7 -3.998 5.524 -16.765 16 HZ3 TRP 7 HZ3 TRP 7 -7.220 7.084 -19.138 17 HH2 TRP 7 HH2 TRP 7 -6.299 6.440 -16.928 18 H ALA 8 H ALA 8 -0.524 3.474 -22.104 19 HA ALA 8 HA ALA 8 -1.217 0.954 -22.940 20 1HB ALA 8 1HB ALA 8 0.118 0.423 -21.191 21 2HB ALA 8 2HB ALA 8 -1.020 1.112 -20.031 22 3HB ALA 8 3HB ALA 8 0.157 2.150 -20.837 23 H VAL 9 H VAL 9 -3.075 3.022 -20.783 24 HA VAL 9 HA VAL 9 -5.137 0.888 -20.449 25 HB VAL 9 HB VAL 9 -4.582 3.541 -19.087 26 1HG1 VAL 9 1HG1 VAL 9 -6.989 3.135 -19.111 27 2HG1 VAL 9 2HG1 VAL 9 -6.363 2.839 -17.489 28 3HG1 VAL 9 3HG1 VAL 9 -6.742 1.482 -18.550 29 1HG2 VAL 9 1HG2 VAL 9 -4.222 0.638 -18.308 30 2HG2 VAL 9 2HG2 VAL 9 -4.205 1.943 -17.122 31 3HG2 VAL 9 3HG2 VAL 9 -2.982 1.893 -18.395 32 H LYS 10 H LYS 10 -7.151 1.138 -21.413 33 HA LYS 10 HA LYS 10 -7.469 3.352 -23.338 34 1HB LYS 10 2HB LYS 10 -8.446 0.636 -22.857 35 2HB LYS 10 1HB LYS 10 -9.737 1.733 -23.351 36 1HG LYS 10 2HG LYS 10 -7.708 2.439 -25.068 37 2HG LYS 10 1HG LYS 10 -7.456 0.701 -24.903 38 1HD LYS 10 2HD LYS 10 -10.245 1.706 -25.331 39 2HD LYS 10 1HD LYS 10 -9.148 1.650 -26.712 40 1HE LYS 10 2HE LYS 10 -8.658 -0.775 -26.069 41 2HE LYS 10 1HE LYS 10 -10.039 -0.659 -24.960 42 1HZ LYS 10 1HZ LYS 10 -10.611 -1.421 -27.262 43 2HZ LYS 10 2HZ LYS 10 -10.174 0.123 -27.820 44 3HZ LYS 10 3HZ LYS 10 -11.468 -0.056 -26.733 45 HA PRO 11 HA PRO 11 -10.421 5.688 -21.080 46 1HB PRO 11 2HB PRO 11 -12.537 5.966 -22.796 47 2HB PRO 11 1HB PRO 11 -10.996 6.818 -23.017 48 1HG PRO 11 2HG PRO 11 -12.007 4.357 -24.354 49 2HG PRO 11 1HG PRO 11 -11.099 5.717 -25.034 50 1HD PRO 11 2HD PRO 11 -9.947 3.340 -24.405 51 2HD PRO 11 1HD PRO 11 -9.075 4.889 -24.334 52 H GLU 12 H GLU 12 -11.726 2.802 -22.648 53 HA GLU 12 HA GLU 12 -14.058 2.584 -20.906 54 1HB GLU 12 2HB GLU 12 -14.263 0.401 -22.062 55 2HB GLU 12 1HB GLU 12 -13.944 1.700 -23.213 56 1HG GLU 12 2HG GLU 12 -11.919 0.849 -23.787 57 2HG GLU 12 1HG GLU 12 -11.513 0.453 -22.117 58 H ASP 13 H ASP 13 -10.721 1.616 -20.776 59 HA ASP 13 HA ASP 13 -11.112 -0.447 -18.725 60 1HB ASP 13 2HB ASP 13 -8.960 0.731 -20.378 61 2HB ASP 13 1HB ASP 13 -8.443 0.181 -18.782 62 H LYS 14 H LYS 14 -10.088 2.934 -18.922 63 HA LYS 14 HA LYS 14 -9.491 3.113 -16.061 64 1HB LYS 14 2HB LYS 14 -8.283 4.494 -17.648 65 2HB LYS 14 1HB LYS 14 -9.792 5.115 -18.318 66 1HG LYS 14 2HG LYS 14 -9.780 5.551 -15.477 67 2HG LYS 14 1HG LYS 14 -8.286 6.188 -16.165 68 1HD LYS 14 2HD LYS 14 -9.753 7.296 -17.948 69 2HD LYS 14 1HD LYS 14 -11.127 6.897 -16.915 70 1HE LYS 14 2HE LYS 14 -9.005 8.100 -15.340 71 2HE LYS 14 1HE LYS 14 -9.478 9.165 -16.679 72 1HZ LYS 14 1HZ LYS 14 -11.736 9.032 -16.065 73 2HZ LYS 14 2HZ LYS 14 -10.897 9.322 -14.617 74 3HZ LYS 14 3HZ LYS 14 -11.457 7.759 -14.978 75 H ALA 15 H ALA 15 -12.202 3.541 -18.184 76 HA ALA 15 HA ALA 15 -13.852 5.219 -16.529 77 1HB ALA 15 1HB ALA 15 -15.656 4.146 -17.986 78 2HB ALA 15 2HB ALA 15 -14.381 3.146 -18.679 79 3HB ALA 15 3HB ALA 15 -14.329 4.898 -18.872 80 H LYS 16 H LYS 16 -13.413 1.695 -16.795 81 HA LYS 16 HA LYS 16 -15.438 1.085 -14.792 82 1HB LYS 16 2HB LYS 16 -15.017 -1.059 -15.483 83 2HB LYS 16 1HB LYS 16 -14.153 -0.261 -16.794 84 1HG LYS 16 2HG LYS 16 -12.048 -0.542 -15.700 85 2HG LYS 16 1HG LYS 16 -12.822 -1.025 -14.190 86 1HD LYS 16 2HD LYS 16 -12.190 -3.090 -15.090 87 2HD LYS 16 1HD LYS 16 -13.863 -2.942 -15.632 88 1HE LYS 16 2HE LYS 16 -13.165 -2.213 -17.832 89 2HE LYS 16 1HE LYS 16 -11.474 -2.084 -17.305 90 1HZ LYS 16 1HZ LYS 16 -12.474 -4.290 -18.404 91 2HZ LYS 16 2HZ LYS 16 -12.801 -4.616 -16.769 92 3HZ LYS 16 3HZ LYS 16 -11.207 -4.311 -17.277 93 H TYR 17 H TYR 17 -12.021 1.820 -14.847 94 HA TYR 17 HA TYR 17 -11.389 0.932 -12.160 95 1HB TYR 17 2HB TYR 17 -10.160 3.069 -13.940 96 2HB TYR 17 1HB TYR 17 -9.379 2.316 -12.555 97 HD1 TYR 17 HD1 TYR 17 -7.956 2.201 -15.046 98 HD2 TYR 17 HD2 TYR 17 -11.110 -0.350 -13.647 99 HE1 TYR 17 HE1 TYR 17 -7.100 0.375 -16.488 100 HE2 TYR 17 HE2 TYR 17 -10.276 -2.177 -15.103 101 HH TYR 17 HH TYR 17 -8.838 -2.226 -17.358 102 H ASP 18 H ASP 18 -12.521 3.928 -13.648 103 HA ASP 18 HA ASP 18 -12.289 5.649 -11.367 104 1HB ASP 18 2HB ASP 18 -12.779 6.049 -13.917 105 2HB ASP 18 1HB ASP 18 -14.465 5.841 -13.444 106 H ALA 19 H ALA 19 -14.540 3.110 -12.137 107 HA ALA 19 HA ALA 19 -16.659 4.061 -10.341 108 1HB ALA 19 1HB ALA 19 -17.778 2.534 -11.585 109 2HB ALA 19 2HB ALA 19 -16.760 1.250 -10.936 110 3HB ALA 19 3HB ALA 19 -16.267 2.112 -12.392 111 H ILE 20 H ILE 20 -13.954 1.792 -10.295 112 HA ILE 20 HA ILE 20 -14.551 0.758 -7.642 113 HB ILE 20 HB ILE 20 -12.167 0.669 -9.519 114 1HG1 ILE 20 2HG1 ILE 20 -13.984 -1.626 -8.823 115 2HG1 ILE 20 1HG1 ILE 20 -14.488 -0.449 -10.036 116 1HG2 ILE 20 1HG2 ILE 20 -11.649 0.349 -7.053 117 2HG2 ILE 20 2HG2 ILE 20 -11.207 -0.994 -8.108 118 3HG2 ILE 20 3HG2 ILE 20 -12.664 -1.091 -7.118 119 1HD1 ILE 20 1HD1 ILE 20 -12.122 -2.312 -10.093 120 2HD1 ILE 20 2HD1 ILE 20 -12.130 -0.841 -11.068 121 3HD1 ILE 20 3HD1 ILE 20 -13.368 -2.073 -11.317 122 H PHE 21 H PHE 21 -12.607 3.294 -9.107 123 HA PHE 21 HA PHE 21 -11.068 3.940 -6.748 124 1HB PHE 21 2HB PHE 21 -10.034 4.827 -8.591 125 2HB PHE 21 1HB PHE 21 -11.544 4.938 -9.490 126 HD1 PHE 21 HD1 PHE 21 -9.062 6.751 -7.623 127 HD2 PHE 21 HD2 PHE 21 -13.177 6.831 -8.857 128 HE1 PHE 21 HE1 PHE 21 -9.152 9.189 -7.169 129 HE2 PHE 21 HE2 PHE 21 -13.265 9.266 -8.405 130 HZ PHE 21 HZ PHE 21 -11.255 10.444 -7.561 131 H ASP 22 H ASP 22 -14.173 4.893 -8.084 132 HA ASP 22 HA ASP 22 -14.600 7.004 -6.071 133 1HB ASP 22 2HB ASP 22 -15.474 7.489 -8.201 134 2HB ASP 22 1HB ASP 22 -16.059 5.843 -8.437 135 H SER 23 H SER 23 -14.858 3.645 -6.147 136 HA SER 23 HA SER 23 -17.291 3.428 -4.487 137 1HB SER 23 2HB SER 23 -16.802 1.691 -6.103 138 2HB SER 23 1HB SER 23 -15.164 1.503 -5.482 139 HG SER 23 HG SER 23 -17.617 0.683 -4.404 140 H LEU 24 H LEU 24 -14.043 4.193 -4.027 141 HA LEU 24 HA LEU 24 -13.895 3.093 -1.258 142 1HB LEU 24 2HB LEU 24 -11.782 4.692 -2.686 143 2HB LEU 24 1HB LEU 24 -11.576 3.402 -1.504 144 HG LEU 24 HG LEU 24 -12.697 2.977 -4.280 145 1HD1 LEU 24 1HD1 LEU 24 -10.591 2.973 -5.080 146 2HD1 LEU 24 2HD1 LEU 24 -10.104 1.805 -3.853 147 3HD1 LEU 24 3HD1 LEU 24 -10.020 3.530 -3.507 148 1HD2 LEU 24 1HD2 LEU 24 -11.425 0.929 -2.479 149 2HD2 LEU 24 2HD2 LEU 24 -12.585 0.682 -3.784 150 3HD2 LEU 24 3HD2 LEU 24 -13.117 1.371 -2.251 151 H SER 25 H SER 25 -14.521 5.933 -3.055 152 HA SER 25 HA SER 25 -15.397 8.008 -2.216 153 1HB SER 25 2HB SER 25 -15.572 6.667 -0.004 154 2HB SER 25 1HB SER 25 -14.037 7.423 0.403 155 HG SER 25 HG SER 25 -16.472 8.712 -0.280 156 HA PRO 26 HA PRO 26 -11.176 9.349 -3.245 157 1HB PRO 26 2HB PRO 26 -12.002 11.025 -5.236 158 2HB PRO 26 1HB PRO 26 -11.743 9.288 -5.483 159 1HG PRO 26 2HG PRO 26 -14.280 10.784 -5.088 160 2HG PRO 26 1HG PRO 26 -13.934 9.404 -6.143 161 1HD PRO 26 2HD PRO 26 -15.230 9.194 -3.734 162 2HD PRO 26 1HD PRO 26 -14.296 7.878 -4.473 163 H VAL 27 H VAL 27 -10.196 11.354 -2.793 164 HA VAL 27 HA VAL 27 -11.976 13.430 -1.557 165 HB VAL 27 HB VAL 27 -9.238 12.354 -0.819 166 1HG1 VAL 27 1HG1 VAL 27 -9.554 14.053 1.128 167 2HG1 VAL 27 2HG1 VAL 27 -10.675 14.864 0.034 168 3HG1 VAL 27 3HG1 VAL 27 -8.984 14.662 -0.426 169 1HG2 VAL 27 1HG2 VAL 27 -11.678 12.629 0.936 170 2HG2 VAL 27 2HG2 VAL 27 -10.287 11.564 1.145 171 3HG2 VAL 27 3HG2 VAL 27 -11.473 11.228 -0.118 172 H ASN 28 H ASN 28 -12.032 14.967 -3.206 173 HA ASN 28 HA ASN 28 -11.202 16.688 -4.602 174 1HB ASN 28 2HB ASN 28 -9.772 16.951 -2.492 175 2HB ASN 28 1HB ASN 28 -8.526 16.037 -3.339 176 1HD2 ASN 28 1HD2 ASN 28 -7.926 16.972 -5.585 177 2HD2 ASN 28 2HD2 ASN 28 -7.906 18.663 -5.734 178 H GLY 29 H GLY 29 -10.906 13.613 -5.102 179 1HA GLY 29 2HA GLY 29 -10.470 12.611 -7.247 180 2HA GLY 29 1HA GLY 29 -9.361 13.934 -7.612 181 H PHE 30 H PHE 30 -9.348 12.100 -4.592 182 HA PHE 30 HA PHE 30 -6.839 10.733 -5.465 183 1HB PHE 30 2HB PHE 30 -7.283 12.516 -3.060 184 2HB PHE 30 1HB PHE 30 -5.879 11.451 -3.230 185 HD1 PHE 30 HD1 PHE 30 -7.241 14.652 -4.005 186 HD2 PHE 30 HD2 PHE 30 -4.556 11.631 -5.436 187 HE1 PHE 30 HE1 PHE 30 -6.150 16.325 -5.462 188 HE2 PHE 30 HE2 PHE 30 -3.443 13.311 -6.894 189 HZ PHE 30 HZ PHE 30 -4.243 15.662 -6.909 190 H LEU 31 H LEU 31 -6.616 8.720 -4.666 191 HA LEU 31 HA LEU 31 -8.577 7.793 -2.590 192 1HB LEU 31 2HB LEU 31 -7.223 6.512 -4.965 193 2HB LEU 31 1HB LEU 31 -7.746 5.501 -3.620 194 HG LEU 31 HG LEU 31 -9.445 7.215 -5.433 195 1HD1 LEU 31 1HD1 LEU 31 -9.014 4.336 -4.812 196 2HD1 LEU 31 2HD1 LEU 31 -9.403 5.108 -6.354 197 3HD1 LEU 31 3HD1 LEU 31 -10.672 4.835 -5.158 198 1HD2 LEU 31 1HD2 LEU 31 -10.302 7.734 -3.258 199 2HD2 LEU 31 2HD2 LEU 31 -10.071 6.080 -2.696 200 3HD2 LEU 31 3HD2 LEU 31 -11.332 6.443 -3.873 201 H SER 32 H SER 32 -7.582 6.310 -0.957 202 HA SER 32 HA SER 32 -4.721 7.036 -0.557 203 1HB SER 32 2HB SER 32 -5.183 6.870 1.736 204 2HB SER 32 1HB SER 32 -6.719 7.448 1.097 205 HG SER 32 HG SER 32 -7.025 5.655 2.459 206 H GLY 33 H GLY 33 -3.157 5.449 -0.283 207 1HA GLY 33 2HA GLY 33 -3.318 3.003 -1.585 208 2HA GLY 33 1HA GLY 33 -2.260 3.255 -0.197 209 H ASP 34 H ASP 34 -4.657 3.874 1.492 210 HA ASP 34 HA ASP 34 -5.153 1.215 2.507 211 1HB ASP 34 2HB ASP 34 -6.496 3.890 3.016 212 2HB ASP 34 1HB ASP 34 -6.637 2.468 4.051 213 H LYS 35 H LYS 35 -6.802 3.305 0.204 214 HA LYS 35 HA LYS 35 -9.287 1.706 0.284 215 1HB LYS 35 2HB LYS 35 -8.232 4.118 -1.213 216 2HB LYS 35 1HB LYS 35 -9.763 3.365 -1.651 217 1HG LYS 35 2HG LYS 35 -10.648 3.746 0.586 218 2HG LYS 35 1HG LYS 35 -9.087 4.365 1.130 219 1HD LYS 35 2HD LYS 35 -9.439 6.017 -0.937 220 2HD LYS 35 1HD LYS 35 -11.136 5.658 -0.621 221 1HE LYS 35 2HE LYS 35 -9.136 6.747 1.396 222 2HE LYS 35 1HE LYS 35 -10.500 7.628 0.682 223 1HZ LYS 35 1HZ LYS 35 -10.510 5.741 2.822 224 2HZ LYS 35 2HZ LYS 35 -11.568 5.265 1.582 225 3HZ LYS 35 3HZ LYS 35 -11.740 6.789 2.312 226 H VAL 36 H VAL 36 -6.426 2.285 -1.677 227 HA VAL 36 HA VAL 36 -7.246 0.548 -3.881 228 HB VAL 36 HB VAL 36 -4.611 1.734 -2.969 229 1HG1 VAL 36 1HG1 VAL 36 -5.209 -0.241 -4.975 230 2HG1 VAL 36 2HG1 VAL 36 -3.647 0.426 -4.511 231 3HG1 VAL 36 3HG1 VAL 36 -4.615 1.227 -5.744 232 1HG2 VAL 36 1HG2 VAL 36 -6.589 2.576 -5.110 233 2HG2 VAL 36 2HG2 VAL 36 -5.054 3.374 -4.764 234 3HG2 VAL 36 3HG2 VAL 36 -6.346 3.386 -3.560 235 H LYS 37 H LYS 37 -5.070 0.271 -1.073 236 HA LYS 37 HA LYS 37 -3.770 -2.098 -1.457 237 1HB LYS 37 2HB LYS 37 -3.482 -0.868 0.557 238 2HB LYS 37 1HB LYS 37 -5.191 -0.984 0.965 239 1HG LYS 37 2HG LYS 37 -4.909 -2.990 1.968 240 2HG LYS 37 1HG LYS 37 -3.970 -3.612 0.610 241 1HD LYS 37 2HD LYS 37 -2.031 -2.192 1.485 242 2HD LYS 37 1HD LYS 37 -2.980 -1.977 2.955 243 1HE LYS 37 2HE LYS 37 -2.502 -4.750 1.870 244 2HE LYS 37 1HE LYS 37 -1.272 -3.953 2.867 245 1HZ LYS 37 1HZ LYS 37 -4.140 -4.197 3.609 246 2HZ LYS 37 2HZ LYS 37 -2.895 -3.552 4.569 247 3HZ LYS 37 3HZ LYS 37 -2.913 -5.210 4.196 248 HA PRO 38 HA PRO 38 -7.570 -4.737 -0.194 249 1HB PRO 38 2HB PRO 38 -10.018 -3.511 -0.223 250 2HB PRO 38 1HB PRO 38 -9.000 -3.600 1.228 251 1HG PRO 38 2HG PRO 38 -9.383 -1.349 -0.682 252 2HG PRO 38 1HG PRO 38 -9.233 -1.321 1.083 253 1HD PRO 38 2HD PRO 38 -7.193 -0.673 -0.580 254 2HD PRO 38 1HD PRO 38 -6.946 -1.391 1.025 255 H VAL 39 H VAL 39 -8.122 -2.109 -2.492 256 HA VAL 39 HA VAL 39 -9.798 -3.477 -4.357 257 HB VAL 39 HB VAL 39 -7.931 -1.140 -4.273 258 1HG1 VAL 39 1HG1 VAL 39 -7.447 -2.260 -6.460 259 2HG1 VAL 39 2HG1 VAL 39 -8.178 -0.665 -6.637 260 3HG1 VAL 39 3HG1 VAL 39 -9.157 -2.115 -6.866 261 1HG2 VAL 39 1HG2 VAL 39 -10.656 -1.554 -3.949 262 2HG2 VAL 39 2HG2 VAL 39 -10.539 -0.872 -5.571 263 3HG2 VAL 39 3HG2 VAL 39 -9.874 0.006 -4.195 264 H LEU 40 H LEU 40 -6.320 -3.431 -3.822 265 HA LEU 40 HA LEU 40 -5.764 -5.044 -6.234 266 1HB LEU 40 2HB LEU 40 -3.990 -4.066 -3.974 267 2HB LEU 40 1HB LEU 40 -3.464 -4.602 -5.574 268 HG LEU 40 HG LEU 40 -5.414 -2.323 -5.203 269 1HD1 LEU 40 1HD1 LEU 40 -3.581 -1.395 -4.174 270 2HD1 LEU 40 2HD1 LEU 40 -3.242 -0.997 -5.859 271 3HD1 LEU 40 3HD1 LEU 40 -2.429 -2.363 -5.092 272 1HD2 LEU 40 1HD2 LEU 40 -4.156 -1.864 -7.504 273 2HD2 LEU 40 2HD2 LEU 40 -5.547 -2.949 -7.405 274 3HD2 LEU 40 3HD2 LEU 40 -3.909 -3.608 -7.421 275 H LEU 41 H LEU 41 -6.064 -5.421 -2.752 276 HA LEU 41 HA LEU 41 -4.837 -8.025 -2.555 277 1HB LEU 41 2HB LEU 41 -6.758 -6.351 -0.939 278 2HB LEU 41 1HB LEU 41 -6.341 -7.986 -0.432 279 HG LEU 41 HG LEU 41 -4.250 -5.903 -1.072 280 1HD1 LEU 41 1HD1 LEU 41 -5.651 -5.080 0.774 281 2HD1 LEU 41 2HD1 LEU 41 -4.076 -5.586 1.384 282 3HD1 LEU 41 3HD1 LEU 41 -5.481 -6.626 1.606 283 1HD2 LEU 41 1HD2 LEU 41 -4.147 -8.666 -0.662 284 2HD2 LEU 41 2HD2 LEU 41 -3.666 -7.984 0.892 285 3HD2 LEU 41 3HD2 LEU 41 -2.782 -7.553 -0.571 286 H ASN 42 H ASN 42 -7.703 -6.889 -3.984 287 HA ASN 42 HA ASN 42 -9.277 -9.323 -3.473 288 1HB ASN 42 2HB ASN 42 -9.890 -6.717 -3.779 289 2HB ASN 42 1HB ASN 42 -10.095 -7.253 -5.447 290 1HD2 ASN 42 1HD2 ASN 42 -12.455 -6.537 -4.505 291 2HD2 ASN 42 2HD2 ASN 42 -13.389 -7.843 -3.953 292 H SER 43 H SER 43 -6.922 -8.353 -5.726 293 HA SER 43 HA SER 43 -8.036 -9.729 -8.066 294 1HB SER 43 2HB SER 43 -5.933 -9.032 -9.071 295 2HB SER 43 1HB SER 43 -6.541 -7.708 -8.082 296 HG SER 43 HG SER 43 -4.696 -7.841 -7.099 297 H LYS 44 H LYS 44 -7.205 -11.101 -5.315 298 HA LYS 44 HA LYS 44 -6.373 -13.228 -4.715 299 1HB LYS 44 2HB LYS 44 -7.581 -13.344 -7.248 300 2HB LYS 44 1HB LYS 44 -6.057 -14.214 -7.434 301 1HG LYS 44 2HG LYS 44 -7.196 -15.970 -6.544 302 2HG LYS 44 1HG LYS 44 -6.924 -15.149 -5.005 303 1HD LYS 44 2HD LYS 44 -9.269 -14.254 -6.611 304 2HD LYS 44 1HD LYS 44 -9.384 -15.838 -5.842 305 1HE LYS 44 2HE LYS 44 -9.870 -14.804 -3.887 306 2HE LYS 44 1HE LYS 44 -8.260 -14.056 -3.917 307 1HZ LYS 44 1HZ LYS 44 -10.550 -13.035 -5.501 308 2HZ LYS 44 2HZ LYS 44 -9.059 -12.271 -5.221 309 3HZ LYS 44 3HZ LYS 44 -10.176 -12.453 -3.954 310 H LEU 45 H LEU 45 -4.586 -10.918 -5.962 311 HA LEU 45 HA LEU 45 -2.171 -12.518 -6.670 312 1HB LEU 45 2HB LEU 45 -3.119 -9.681 -6.914 313 2HB LEU 45 1HB LEU 45 -1.390 -10.019 -6.985 314 HG LEU 45 HG LEU 45 -3.432 -11.455 -8.685 315 1HD1 LEU 45 1HD1 LEU 45 -3.571 -9.276 -9.533 316 2HD1 LEU 45 2HD1 LEU 45 -2.255 -9.948 -10.488 317 3HD1 LEU 45 3HD1 LEU 45 -1.900 -8.901 -9.117 318 1HD2 LEU 45 1HD2 LEU 45 -1.639 -12.536 -9.637 319 2HD2 LEU 45 2HD2 LEU 45 -0.936 -12.240 -8.046 320 3HD2 LEU 45 3HD2 LEU 45 -0.553 -11.168 -9.395 321 HA PRO 46 HA PRO 46 -0.403 -11.812 -2.726 322 1HB PRO 46 2HB PRO 46 2.254 -11.771 -3.380 323 2HB PRO 46 1HB PRO 46 1.289 -13.258 -3.357 324 1HG PRO 46 2HG PRO 46 2.187 -11.623 -5.658 325 2HG PRO 46 1HG PRO 46 1.969 -13.373 -5.528 326 1HD PRO 46 2HD PRO 46 0.194 -11.655 -6.750 327 2HD PRO 46 1HD PRO 46 -0.219 -13.267 -6.134 328 H VAL 47 H VAL 47 1.015 -10.151 -1.580 329 HA VAL 47 HA VAL 47 0.366 -7.481 -2.405 330 HB VAL 47 HB VAL 47 2.082 -8.822 -0.318 331 1HG1 VAL 47 1HG1 VAL 47 3.292 -6.939 -0.066 332 2HG1 VAL 47 2HG1 VAL 47 1.799 -6.146 0.439 333 3HG1 VAL 47 3HG1 VAL 47 2.307 -6.077 -1.242 334 1HG2 VAL 47 1HG2 VAL 47 -0.076 -8.941 0.448 335 2HG2 VAL 47 2HG2 VAL 47 -0.603 -7.557 -0.511 336 3HG2 VAL 47 3HG2 VAL 47 0.279 -7.301 0.995 337 H ASP 48 H ASP 48 2.739 -9.638 -3.482 338 HA ASP 48 HA ASP 48 4.884 -7.745 -3.893 339 1HB ASP 48 2HB ASP 48 4.399 -10.528 -4.082 340 2HB ASP 48 1HB ASP 48 4.939 -9.995 -5.672 341 H ILE 49 H ILE 49 2.067 -8.848 -5.671 342 HA ILE 49 HA ILE 49 2.891 -7.519 -8.158 343 HB ILE 49 HB ILE 49 0.113 -8.466 -7.462 344 1HG1 ILE 49 2HG1 ILE 49 1.535 -10.274 -6.711 345 2HG1 ILE 49 1HG1 ILE 49 0.852 -10.734 -8.268 346 1HG2 ILE 49 1HG2 ILE 49 1.257 -7.399 -9.726 347 2HG2 ILE 49 2HG2 ILE 49 -0.203 -8.388 -9.705 348 3HG2 ILE 49 3HG2 ILE 49 1.361 -9.131 -10.038 349 1HD1 ILE 49 1HD1 ILE 49 3.337 -11.160 -8.008 350 2HD1 ILE 49 2HD1 ILE 49 3.550 -9.407 -7.997 351 3HD1 ILE 49 3HD1 ILE 49 2.874 -10.206 -9.418 352 H LEU 50 H LEU 50 0.638 -7.040 -5.489 353 HA LEU 50 HA LEU 50 -0.544 -4.593 -6.487 354 1HB LEU 50 2HB LEU 50 -0.234 -5.490 -3.618 355 2HB LEU 50 1HB LEU 50 -1.546 -4.545 -4.320 356 HG LEU 50 HG LEU 50 -0.947 -7.481 -4.717 357 1HD1 LEU 50 1HD1 LEU 50 -3.378 -7.622 -4.051 358 2HD1 LEU 50 2HD1 LEU 50 -3.316 -5.893 -3.705 359 3HD1 LEU 50 3HD1 LEU 50 -2.308 -7.012 -2.788 360 1HD2 LEU 50 1HD2 LEU 50 -3.239 -6.913 -6.166 361 2HD2 LEU 50 2HD2 LEU 50 -1.642 -7.198 -6.858 362 3HD2 LEU 50 3HD2 LEU 50 -2.187 -5.549 -6.547 363 H GLY 51 H GLY 51 2.279 -5.437 -4.560 364 1HA GLY 51 2HA GLY 51 2.812 -2.731 -3.644 365 2HA GLY 51 1HA GLY 51 3.957 -4.078 -3.604 366 H ARG 52 H ARG 52 3.448 -4.590 -6.492 367 HA ARG 52 HA ARG 52 5.313 -2.535 -7.560 368 1HB ARG 52 2HB ARG 52 5.344 -5.250 -7.591 369 2HB ARG 52 1HB ARG 52 4.532 -4.924 -9.122 370 1HG ARG 52 2HG ARG 52 6.530 -3.104 -9.264 371 2HG ARG 52 1HG ARG 52 7.329 -4.356 -8.311 372 1HD ARG 52 2HD ARG 52 5.830 -4.986 -10.865 373 2HD ARG 52 1HD ARG 52 7.563 -4.603 -10.843 374 HE ARG 52 HE ARG 52 6.329 -6.908 -9.382 375 1HH1 ARG 52 1HH2 ARG 52 8.977 -5.742 -8.385 376 2HH1 ARG 52 2HH2 ARG 52 10.111 -6.792 -9.165 377 1HH2 ARG 52 2HH1 ARG 52 7.796 -8.051 -11.419 378 2HH2 ARG 52 1HH1 ARG 52 9.442 -8.101 -10.884 379 H VAL 53 H VAL 53 2.055 -3.860 -7.960 380 HA VAL 53 HA VAL 53 1.589 -2.557 -10.534 381 HB VAL 53 HB VAL 53 -0.066 -3.891 -8.389 382 1HG1 VAL 53 1HG1 VAL 53 -1.970 -2.909 -9.089 383 2HG1 VAL 53 2HG1 VAL 53 -1.619 -3.385 -10.750 384 3HG1 VAL 53 3HG1 VAL 53 -1.024 -1.849 -10.133 385 1HG2 VAL 53 1HG2 VAL 53 -0.179 -5.650 -9.889 386 2HG2 VAL 53 2HG2 VAL 53 1.374 -4.962 -10.363 387 3HG2 VAL 53 3HG2 VAL 53 -0.078 -4.592 -11.300 388 H TRP 54 H TRP 54 1.138 -1.792 -7.123 389 HA TRP 54 HA TRP 54 -0.387 0.621 -7.499 390 1HB TRP 54 2HB TRP 54 -0.389 -0.268 -5.314 391 2HB TRP 54 1HB TRP 54 1.350 -0.570 -5.337 392 HD1 TRP 54 HD1 TRP 54 2.954 1.640 -5.260 393 HE1 TRP 54 HE1 TRP 54 2.587 3.914 -4.146 394 HE3 TRP 54 HE3 TRP 54 -2.089 1.434 -4.512 395 HZ2 TRP 54 HZ2 TRP 54 0.432 5.451 -3.028 396 HZ3 TRP 54 HZ3 TRP 54 -3.277 3.313 -3.399 397 HH2 TRP 54 HH2 TRP 54 -2.022 5.313 -2.668 398 H GLU 55 H GLU 55 3.115 0.084 -6.862 399 HA GLU 55 HA GLU 55 4.017 2.712 -6.976 400 1HB GLU 55 2HB GLU 55 5.170 0.098 -7.927 401 2HB GLU 55 1HB GLU 55 6.107 1.592 -7.959 402 1HG GLU 55 2HG GLU 55 4.859 1.427 -5.407 403 2HG GLU 55 1HG GLU 55 5.611 -0.136 -5.734 404 H LEU 56 H LEU 56 3.927 0.526 -9.814 405 HA LEU 56 HA LEU 56 4.464 2.597 -11.715 406 1HB LEU 56 2HB LEU 56 2.990 -0.046 -11.972 407 2HB LEU 56 1HB LEU 56 3.602 0.901 -13.330 408 HG LEU 56 HG LEU 56 5.601 0.391 -11.227 409 1HD1 LEU 56 1HD1 LEU 56 5.158 -1.975 -12.945 410 2HD1 LEU 56 2HD1 LEU 56 3.954 -1.731 -11.679 411 3HD1 LEU 56 3HD1 LEU 56 5.660 -1.886 -11.256 412 1HD2 LEU 56 1HD2 LEU 56 6.223 -0.596 -13.880 413 2HD2 LEU 56 2HD2 LEU 56 6.945 0.765 -13.024 414 3HD2 LEU 56 3HD2 LEU 56 5.492 1.003 -13.997 415 H SER 57 H SER 57 1.714 1.907 -9.819 416 HA SER 57 HA SER 57 -0.245 3.173 -11.647 417 1HB SER 57 2HB SER 57 -1.346 1.519 -10.515 418 2HB SER 57 1HB SER 57 -0.190 1.532 -9.188 419 HG SER 57 HG SER 57 -2.068 2.360 -8.384 420 H ASP 58 H ASP 58 1.308 3.736 -8.482 421 HA ASP 58 HA ASP 58 0.024 6.227 -7.878 422 1HB ASP 58 2HB ASP 58 1.520 4.481 -6.535 423 2HB ASP 58 1HB ASP 58 2.809 5.595 -6.991 424 H ILE 59 H ILE 59 0.242 7.254 -10.104 425 HA ILE 59 HA ILE 59 2.635 7.921 -11.397 426 HB ILE 59 HB ILE 59 0.105 9.542 -10.977 427 1HG1 ILE 59 2HG1 ILE 59 -0.231 7.282 -11.948 428 2HG1 ILE 59 1HG1 ILE 59 -0.567 8.547 -13.130 429 1HG2 ILE 59 1HG2 ILE 59 0.761 10.678 -13.078 430 2HG2 ILE 59 2HG2 ILE 59 2.275 9.772 -13.086 431 3HG2 ILE 59 3HG2 ILE 59 1.953 10.940 -11.804 432 1HD1 ILE 59 1HD1 ILE 59 1.778 8.276 -13.988 433 2HD1 ILE 59 2HD1 ILE 59 0.777 6.839 -14.205 434 3HD1 ILE 59 3HD1 ILE 59 1.965 6.898 -12.902 435 H ASP 60 H ASP 60 1.290 9.257 -8.433 436 HA ASP 60 HA ASP 60 3.398 11.374 -8.378 437 1HB ASP 60 2HB ASP 60 1.137 10.968 -6.416 438 2HB ASP 60 1HB ASP 60 1.959 12.469 -6.844 439 H HIS 61 H HIS 61 2.504 8.337 -6.957 440 HA HIS 61 HA HIS 61 3.578 7.016 -5.313 441 1HB HIS 61 2HB HIS 61 5.870 8.965 -5.432 442 2HB HIS 61 1HB HIS 61 5.918 7.208 -5.315 443 HD1 HIS 61 HD1 HIS 61 5.576 5.845 -7.522 444 HD2 HIS 61 HD2 HIS 61 5.626 9.978 -8.076 445 HE1 HIS 61 HE1 HIS 61 5.808 6.232 -10.015 446 H ASP 62 H ASP 62 1.788 8.935 -4.301 447 HA ASP 62 HA ASP 62 3.240 10.024 -1.911 448 1HB ASP 62 2HB ASP 62 1.279 11.615 -1.871 449 2HB ASP 62 1HB ASP 62 2.269 11.743 -3.325 450 H GLY 63 H GLY 63 1.573 7.383 -2.710 451 1HA GLY 63 2HA GLY 63 0.591 5.810 -1.210 452 2HA GLY 63 1HA GLY 63 0.444 7.094 -0.006 453 H MET 64 H MET 64 -0.649 7.545 -3.308 454 HA MET 64 HA MET 64 -3.471 7.049 -2.538 455 1HB MET 64 2HB MET 64 -2.287 9.717 -3.333 456 2HB MET 64 1HB MET 64 -4.016 9.391 -3.316 457 1HG MET 64 2HG MET 64 -3.995 8.974 -0.955 458 2HG MET 64 1HG MET 64 -2.231 9.029 -0.909 459 1HE MET 64 1HE MET 64 -4.860 10.358 0.354 460 2HE MET 64 2HE MET 64 -5.568 11.315 -0.945 461 3HE MET 64 3HE MET 64 -4.782 12.125 0.410 462 H LEU 65 H LEU 65 -4.930 7.184 -4.436 463 HA LEU 65 HA LEU 65 -3.513 7.007 -7.072 464 1HB LEU 65 2HB LEU 65 -5.502 5.173 -5.735 465 2HB LEU 65 1HB LEU 65 -5.373 5.209 -7.490 466 HG LEU 65 HG LEU 65 -3.295 4.370 -5.469 467 1HD1 LEU 65 1HD1 LEU 65 -5.011 2.814 -6.630 468 2HD1 LEU 65 2HD1 LEU 65 -3.313 2.335 -6.677 469 3HD1 LEU 65 3HD1 LEU 65 -4.058 3.081 -8.090 470 1HD2 LEU 65 1HD2 LEU 65 -2.074 5.878 -6.909 471 2HD2 LEU 65 2HD2 LEU 65 -2.872 5.237 -8.346 472 3HD2 LEU 65 3HD2 LEU 65 -1.720 4.242 -7.458 473 H ASP 66 H ASP 66 -4.276 8.823 -8.135 474 HA ASP 66 HA ASP 66 -6.845 10.033 -7.617 475 1HB ASP 66 2HB ASP 66 -5.071 10.284 -10.067 476 2HB ASP 66 1HB ASP 66 -6.200 11.484 -9.444 477 H ARG 67 H ARG 67 -8.629 10.156 -9.195 478 HA ARG 67 HA ARG 67 -9.764 7.804 -10.063 479 1HB ARG 67 2HB ARG 67 -10.845 9.312 -11.850 480 2HB ARG 67 1HB ARG 67 -10.994 9.838 -10.175 481 1HG ARG 67 2HG ARG 67 -8.565 10.937 -11.037 482 2HG ARG 67 1HG ARG 67 -9.659 11.155 -12.402 483 1HD ARG 67 2HD ARG 67 -10.780 11.778 -9.711 484 2HD ARG 67 1HD ARG 67 -9.575 12.910 -10.356 485 HE ARG 67 HE ARG 67 -11.172 12.530 -12.531 486 1HH1 ARG 67 1HH2 ARG 67 -11.604 13.566 -9.286 487 2HH1 ARG 67 2HH2 ARG 67 -13.174 14.243 -9.564 488 1HH2 ARG 67 2HH1 ARG 67 -13.316 13.226 -12.877 489 2HH2 ARG 67 1HH1 ARG 67 -14.145 14.048 -11.598 490 H ASP 68 H ASP 68 -7.449 9.767 -11.926 491 HA ASP 68 HA ASP 68 -7.445 7.884 -14.184 492 1HB ASP 68 2HB ASP 68 -7.147 10.364 -14.367 493 2HB ASP 68 1HB ASP 68 -5.630 10.216 -13.480 494 H GLU 69 H GLU 69 -5.471 8.622 -11.364 495 HA GLU 69 HA GLU 69 -3.184 7.005 -12.058 496 1HB GLU 69 2HB GLU 69 -3.892 8.852 -10.148 497 2HB GLU 69 1HB GLU 69 -3.924 7.353 -9.218 498 1HG GLU 69 2HG GLU 69 -1.669 6.859 -9.748 499 2HG GLU 69 1HG GLU 69 -1.613 8.089 -11.008 500 H PHE 70 H PHE 70 -5.975 6.482 -9.912 501 HA PHE 70 HA PHE 70 -5.450 3.819 -9.133 502 1HB PHE 70 2HB PHE 70 -7.182 5.337 -8.202 503 2HB PHE 70 1HB PHE 70 -8.077 5.236 -9.718 504 HD1 PHE 70 HD1 PHE 70 -7.135 3.489 -6.642 505 HD2 PHE 70 HD2 PHE 70 -9.184 3.142 -10.399 506 HE1 PHE 70 HE1 PHE 70 -8.232 1.411 -5.851 507 HE2 PHE 70 HE2 PHE 70 -10.282 1.063 -9.609 508 HZ PHE 70 HZ PHE 70 -9.802 0.198 -7.334 509 H ALA 71 H ALA 71 -6.524 5.170 -12.158 510 HA ALA 71 HA ALA 71 -7.764 2.825 -13.281 511 1HB ALA 71 1HB ALA 71 -7.581 4.081 -15.339 512 2HB ALA 71 2HB ALA 71 -6.260 5.049 -14.682 513 3HB ALA 71 3HB ALA 71 -7.894 5.238 -14.045 514 H VAL 72 H VAL 72 -4.483 4.164 -13.582 515 HA VAL 72 HA VAL 72 -3.381 2.161 -15.262 516 HB VAL 72 HB VAL 72 -2.146 3.794 -13.019 517 1HG1 VAL 72 1HG1 VAL 72 -0.904 1.749 -14.209 518 2HG1 VAL 72 2HG1 VAL 72 -0.053 3.244 -13.821 519 3HG1 VAL 72 3HG1 VAL 72 -0.639 2.963 -15.460 520 1HG2 VAL 72 1HG2 VAL 72 -3.398 5.073 -14.796 521 2HG2 VAL 72 2HG2 VAL 72 -2.301 4.384 -15.993 522 3HG2 VAL 72 3HG2 VAL 72 -1.675 5.450 -14.733 523 H ALA 73 H ALA 73 -4.151 2.111 -11.840 524 HA ALA 73 HA ALA 73 -2.464 -0.232 -11.254 525 1HB ALA 73 1HB ALA 73 -4.676 0.734 -9.492 526 2HB ALA 73 2HB ALA 73 -3.330 1.836 -9.821 527 3HB ALA 73 3HB ALA 73 -3.027 0.266 -9.072 528 H MET 74 H MET 74 -5.655 0.195 -12.542 529 HA MET 74 HA MET 74 -6.650 -2.356 -11.432 530 1HB MET 74 2HB MET 74 -7.899 -0.781 -13.678 531 2HB MET 74 1HB MET 74 -8.696 -1.730 -12.427 532 1HG MET 74 2HG MET 74 -7.486 1.012 -12.236 533 2HG MET 74 1HG MET 74 -9.077 0.473 -11.722 534 1HE MET 74 1HE MET 74 -9.239 -1.400 -9.357 535 2HE MET 74 2HE MET 74 -7.694 -2.173 -9.013 536 3HE MET 74 3HE MET 74 -8.334 -2.194 -10.652 537 H PHE 75 H PHE 75 -5.383 -1.172 -14.539 538 HA PHE 75 HA PHE 75 -5.933 -3.730 -15.860 539 1HB PHE 75 2HB PHE 75 -5.122 -2.631 -17.768 540 2HB PHE 75 1HB PHE 75 -5.708 -1.275 -16.804 541 HD1 PHE 75 HD1 PHE 75 -2.709 -3.120 -17.925 542 HD2 PHE 75 HD2 PHE 75 -4.189 0.278 -15.762 543 HE1 PHE 75 HE1 PHE 75 -0.428 -2.152 -17.889 544 HE2 PHE 75 HE2 PHE 75 -1.917 1.241 -15.732 545 HZ PHE 75 HZ PHE 75 -0.035 0.030 -16.783 546 H LEU 76 H LEU 76 -3.351 -2.258 -14.025 547 HA LEU 76 HA LEU 76 -1.239 -4.082 -14.818 548 1HB LEU 76 2HB LEU 76 -1.764 -1.916 -12.888 549 2HB LEU 76 1HB LEU 76 -0.624 -3.127 -12.306 550 HG LEU 76 HG LEU 76 -0.415 -1.668 -14.954 551 1HD1 LEU 76 1HD1 LEU 76 0.130 -0.665 -12.446 552 2HD1 LEU 76 2HD1 LEU 76 0.892 -0.117 -13.938 553 3HD1 LEU 76 3HD1 LEU 76 1.693 -1.324 -12.933 554 1HD2 LEU 76 1HD2 LEU 76 0.703 -4.120 -14.090 555 2HD2 LEU 76 2HD2 LEU 76 2.000 -2.930 -13.991 556 3HD2 LEU 76 3HD2 LEU 76 1.154 -3.187 -15.517 557 H VAL 77 H VAL 77 -3.931 -4.195 -12.638 558 HA VAL 77 HA VAL 77 -2.892 -6.512 -11.103 559 HB VAL 77 HB VAL 77 -5.477 -4.898 -11.115 560 1HG1 VAL 77 1HG1 VAL 77 -6.389 -6.407 -9.702 561 2HG1 VAL 77 2HG1 VAL 77 -4.936 -6.432 -8.703 562 3HG1 VAL 77 3HG1 VAL 77 -5.060 -7.495 -10.104 563 1HG2 VAL 77 1HG2 VAL 77 -4.606 -3.891 -9.112 564 2HG2 VAL 77 2HG2 VAL 77 -3.353 -3.778 -10.343 565 3HG2 VAL 77 3HG2 VAL 77 -3.235 -4.999 -9.075 566 H TYR 78 H TYR 78 -5.245 -5.779 -13.641 567 HA TYR 78 HA TYR 78 -6.426 -8.448 -13.615 568 1HB TYR 78 2HB TYR 78 -6.578 -5.920 -15.204 569 2HB TYR 78 1HB TYR 78 -7.187 -7.396 -15.955 570 HD1 TYR 78 HD1 TYR 78 -8.467 -4.696 -14.526 571 HD2 TYR 78 HD2 TYR 78 -8.244 -8.906 -13.695 572 HE1 TYR 78 HE1 TYR 78 -10.534 -4.532 -13.168 573 HE2 TYR 78 HE2 TYR 78 -10.320 -8.742 -12.335 574 HH TYR 78 HH TYR 78 -12.096 -7.409 -11.841 575 H CYS 79 H CYS 79 -3.689 -6.920 -15.140 576 HA CYS 79 HA CYS 79 -3.439 -8.950 -17.246 577 1HB CYS 79 2HB CYS 79 -2.191 -6.416 -16.385 578 2HB CYS 79 1HB CYS 79 -1.047 -7.570 -17.068 579 HG CYS 79 HG CYS 79 -3.623 -7.007 -18.709 580 H ALA 80 H ALA 80 -2.600 -8.675 -13.926 581 HA ALA 80 HA ALA 80 -0.279 -10.485 -14.116 582 1HB ALA 80 1HB ALA 80 -0.663 -10.252 -11.515 583 2HB ALA 80 2HB ALA 80 -1.749 -8.946 -11.995 584 3HB ALA 80 3HB ALA 80 -0.040 -8.880 -12.431 585 H LEU 81 H LEU 81 -3.672 -10.687 -13.887 586 HA LEU 81 HA LEU 81 -3.680 -13.330 -12.558 587 1HB LEU 81 2HB LEU 81 -6.009 -11.877 -13.804 588 2HB LEU 81 1HB LEU 81 -6.023 -12.997 -12.441 589 HG LEU 81 HG LEU 81 -4.895 -10.202 -12.504 590 1HD1 LEU 81 1HD1 LEU 81 -7.409 -10.630 -12.180 591 2HD1 LEU 81 2HD1 LEU 81 -6.604 -9.665 -10.942 592 3HD1 LEU 81 3HD1 LEU 81 -6.964 -11.365 -10.640 593 1HD2 LEU 81 1HD2 LEU 81 -3.348 -11.294 -11.146 594 2HD2 LEU 81 2HD2 LEU 81 -4.532 -12.472 -10.578 595 3HD2 LEU 81 3HD2 LEU 81 -4.572 -10.815 -9.970 596 H GLU 82 H GLU 82 -4.607 -11.922 -15.718 597 HA GLU 82 HA GLU 82 -4.614 -14.724 -16.797 598 1HB GLU 82 2HB GLU 82 -6.020 -12.499 -18.199 599 2HB GLU 82 1HB GLU 82 -6.501 -14.182 -18.008 600 1HG GLU 82 2HG GLU 82 -6.745 -13.536 -15.473 601 2HG GLU 82 1HG GLU 82 -6.839 -11.888 -16.098 602 H LYS 83 H LYS 83 -2.983 -11.698 -17.073 603 HA LYS 83 HA LYS 83 -2.126 -12.379 -19.860 604 1HB LYS 83 2HB LYS 83 -2.147 -9.875 -18.183 605 2HB LYS 83 1HB LYS 83 -1.232 -9.970 -19.686 606 1HG LYS 83 2HG LYS 83 -3.954 -10.999 -19.975 607 2HG LYS 83 1HG LYS 83 -3.921 -9.308 -19.474 608 1HD LYS 83 2HD LYS 83 -1.974 -9.316 -21.388 609 2HD LYS 83 1HD LYS 83 -3.078 -10.533 -22.029 610 1HE LYS 83 2HE LYS 83 -4.960 -8.831 -21.589 611 2HE LYS 83 1HE LYS 83 -3.666 -7.634 -21.395 612 1HZ LYS 83 1HZ LYS 83 -3.812 -7.530 -23.634 613 2HZ LYS 83 2HZ LYS 83 -4.514 -9.071 -23.777 614 3HZ LYS 83 3HZ LYS 83 -2.836 -8.915 -23.574 615 H GLU 84 H GLU 84 -0.275 -10.403 -17.636 616 HA GLU 84 HA GLU 84 1.796 -12.533 -17.337 617 1HB GLU 84 2HB GLU 84 2.043 -9.842 -18.708 618 2HB GLU 84 1HB GLU 84 3.454 -10.734 -18.143 619 1HG GLU 84 2HG GLU 84 1.394 -12.038 -19.920 620 2HG GLU 84 1HG GLU 84 2.718 -11.091 -20.598 621 HA PRO 85 HA PRO 85 2.486 -10.759 -13.393 622 1HB PRO 85 2HB PRO 85 5.224 -10.512 -13.238 623 2HB PRO 85 1HB PRO 85 4.366 -12.061 -13.091 624 1HG PRO 85 2HG PRO 85 5.702 -10.864 -15.484 625 2HG PRO 85 1HG PRO 85 5.773 -12.527 -14.872 626 1HD PRO 85 2HD PRO 85 4.196 -11.888 -16.931 627 2HD PRO 85 1HD PRO 85 3.669 -13.064 -15.707 628 H VAL 86 H VAL 86 3.927 -8.811 -12.335 629 HA VAL 86 HA VAL 86 3.550 -6.492 -14.193 630 HB VAL 86 HB VAL 86 3.348 -6.764 -11.179 631 1HG1 VAL 86 1HG1 VAL 86 3.328 -4.511 -11.026 632 2HG1 VAL 86 2HG1 VAL 86 2.221 -4.364 -12.390 633 3HG1 VAL 86 3HG1 VAL 86 3.958 -4.482 -12.673 634 1HG2 VAL 86 1HG2 VAL 86 1.268 -7.487 -11.689 635 2HG2 VAL 86 2HG2 VAL 86 1.485 -7.102 -13.396 636 3HG2 VAL 86 3HG2 VAL 86 0.940 -5.856 -12.275 637 HA PRO 87 HA PRO 87 7.938 -5.990 -13.464 638 1HB PRO 87 2HB PRO 87 8.308 -4.082 -15.380 639 2HB PRO 87 1HB PRO 87 8.166 -5.807 -15.767 640 1HG PRO 87 2HG PRO 87 6.197 -3.631 -16.102 641 2HG PRO 87 1HG PRO 87 6.414 -5.116 -17.037 642 1HD PRO 87 2HD PRO 87 4.463 -4.661 -15.085 643 2HD PRO 87 1HD PRO 87 4.913 -6.236 -15.773 644 H MET 88 H MET 88 9.155 -3.527 -13.601 645 HA MET 88 HA MET 88 7.533 -1.844 -11.706 646 1HB MET 88 2HB MET 88 10.510 -2.324 -11.950 647 2HB MET 88 1HB MET 88 9.770 -1.194 -10.818 648 1HG MET 88 2HG MET 88 8.431 -3.153 -9.907 649 2HG MET 88 1HG MET 88 9.449 -4.208 -10.889 650 1HE MET 88 1HE MET 88 9.371 -3.744 -7.153 651 2HE MET 88 2HE MET 88 8.687 -2.391 -8.051 652 3HE MET 88 3HE MET 88 10.100 -2.136 -7.032 653 H SER 89 H SER 89 8.135 -1.790 -14.817 654 HA SER 89 HA SER 89 9.478 0.850 -14.891 655 1HB SER 89 2HB SER 89 8.761 -1.182 -17.014 656 2HB SER 89 1HB SER 89 9.617 0.323 -17.338 657 HG SER 89 HG SER 89 10.713 -1.896 -16.693 658 H LEU 90 H LEU 90 8.279 2.592 -14.888 659 HA LEU 90 HA LEU 90 5.495 2.563 -15.961 660 1HB LEU 90 2HB LEU 90 6.989 3.838 -13.827 661 2HB LEU 90 1HB LEU 90 6.184 5.052 -14.824 662 HG LEU 90 HG LEU 90 4.916 2.672 -13.476 663 1HD1 LEU 90 1HD1 LEU 90 4.926 5.648 -13.042 664 2HD1 LEU 90 2HD1 LEU 90 5.114 4.355 -11.857 665 3HD1 LEU 90 3HD1 LEU 90 3.527 4.701 -12.543 666 1HD2 LEU 90 1HD2 LEU 90 3.713 2.841 -15.494 667 2HD2 LEU 90 2HD2 LEU 90 3.910 4.592 -15.569 668 3HD2 LEU 90 3HD2 LEU 90 2.788 3.881 -14.410 669 HA PRO 91 HA PRO 91 8.095 4.615 -19.273 670 1HB PRO 91 2HB PRO 91 6.749 3.461 -21.373 671 2HB PRO 91 1HB PRO 91 8.146 2.706 -20.579 672 1HG PRO 91 2HG PRO 91 5.234 2.205 -20.164 673 2HG PRO 91 1HG PRO 91 6.566 1.045 -20.300 674 1HD PRO 91 2HD PRO 91 5.537 1.722 -17.912 675 2HD PRO 91 1HD PRO 91 7.270 1.388 -18.127 676 HA PRO 92 HA PRO 92 5.176 7.733 -20.273 677 1HB PRO 92 2HB PRO 92 5.535 8.200 -22.943 678 2HB PRO 92 1HB PRO 92 6.713 8.687 -21.708 679 1HG PRO 92 2HG PRO 92 6.735 6.322 -23.519 680 2HG PRO 92 1HG PRO 92 8.070 7.376 -23.027 681 1HD PRO 92 2HD PRO 92 7.656 4.930 -21.944 682 2HD PRO 92 1HD PRO 92 8.384 6.274 -21.037 683 H ALA 93 H ALA 93 4.833 4.675 -21.684 684 HA ALA 93 HA ALA 93 2.475 5.203 -23.318 685 1HB ALA 93 1HB ALA 93 3.223 3.200 -24.063 686 2HB ALA 93 2HB ALA 93 2.630 2.482 -22.563 687 3HB ALA 93 3HB ALA 93 4.299 3.046 -22.674 688 H LEU 94 H LEU 94 3.076 5.004 -19.989 689 HA LEU 94 HA LEU 94 0.201 4.356 -19.474 690 1HB LEU 94 2HB LEU 94 2.614 3.809 -17.721 691 2HB LEU 94 1HB LEU 94 0.963 3.266 -17.428 692 HG LEU 94 HG LEU 94 1.800 2.469 -20.071 693 1HD1 LEU 94 1HD1 LEU 94 3.447 1.174 -17.916 694 2HD1 LEU 94 2HD1 LEU 94 4.037 2.641 -18.699 695 3HD1 LEU 94 3HD1 LEU 94 3.716 1.196 -19.659 696 1HD2 LEU 94 1HD2 LEU 94 0.011 1.562 -18.409 697 2HD2 LEU 94 2HD2 LEU 94 1.366 0.694 -17.676 698 3HD2 LEU 94 3HD2 LEU 94 0.932 0.386 -19.355 699 H VAL 95 H VAL 95 2.327 6.852 -19.528 700 HA VAL 95 HA VAL 95 1.475 8.034 -16.928 701 HB VAL 95 HB VAL 95 3.571 8.780 -18.984 702 1HG1 VAL 95 1HG1 VAL 95 4.291 10.495 -17.510 703 2HG1 VAL 95 2HG1 VAL 95 3.298 9.884 -16.186 704 3HG1 VAL 95 3HG1 VAL 95 2.536 10.668 -17.569 705 1HG2 VAL 95 1HG2 VAL 95 3.756 7.528 -16.225 706 2HG2 VAL 95 2HG2 VAL 95 5.134 7.994 -17.222 707 3HG2 VAL 95 3HG2 VAL 95 4.057 6.705 -17.755 708 HA PRO 96 HA PRO 96 -1.439 10.471 -19.298 709 1HB PRO 96 2HB PRO 96 -2.410 11.855 -17.135 710 2HB PRO 96 1HB PRO 96 -2.916 10.200 -17.525 711 1HG PRO 96 2HG PRO 96 -0.934 11.154 -15.516 712 2HG PRO 96 1HG PRO 96 -2.138 9.861 -15.388 713 1HD PRO 96 2HD PRO 96 0.492 9.386 -15.848 714 2HD PRO 96 1HD PRO 96 -0.803 8.327 -16.454 715 HA PRO 97 HA PRO 97 0.668 14.337 -19.561 716 1HB PRO 97 2HB PRO 97 -1.297 16.221 -19.766 717 2HB PRO 97 1HB PRO 97 -0.932 15.061 -21.057 718 1HG PRO 97 2HG PRO 97 -3.163 15.084 -19.114 719 2HG PRO 97 1HG PRO 97 -3.116 14.486 -20.778 720 1HD PRO 97 2HD PRO 97 -2.992 12.917 -18.486 721 2HD PRO 97 1HD PRO 97 -2.522 12.401 -20.118 722 H SER 98 H SER 98 -0.059 13.492 -16.710 723 HA SER 98 HA SER 98 -0.174 16.190 -15.446 724 1HB SER 98 2HB SER 98 -1.734 15.070 -14.220 725 2HB SER 98 1HB SER 98 -1.207 13.514 -14.854 726 HG SER 98 HG SER 98 -0.454 13.294 -12.891 727 H LYS 99 H LYS 99 1.587 13.116 -15.437 728 HA LYS 99 HA LYS 99 3.739 14.274 -13.765 729 1HB LYS 99 2HB LYS 99 2.944 11.967 -13.408 730 2HB LYS 99 1HB LYS 99 3.320 11.568 -15.084 731 1HG LYS 99 2HG LYS 99 5.484 11.196 -14.579 732 2HG LYS 99 1HG LYS 99 5.618 12.760 -13.776 733 1HD LYS 99 2HD LYS 99 5.286 11.871 -11.705 734 2HD LYS 99 1HD LYS 99 4.083 10.719 -12.286 735 1HE LYS 99 2HE LYS 99 5.841 9.269 -11.768 736 2HE LYS 99 1HE LYS 99 6.221 9.626 -13.464 737 1HZ LYS 99 1HZ LYS 99 7.275 11.740 -12.148 738 2HZ LYS 99 2HZ LYS 99 8.156 10.384 -12.667 739 3HZ LYS 99 3HZ LYS 99 7.587 10.468 -11.069 740 H ARG 100 H ARG 100 2.908 14.812 -16.811 741 HA ARG 100 HA ARG 100 5.365 14.109 -18.252 742 1HB ARG 100 2HB ARG 100 2.699 15.097 -18.754 743 2HB ARG 100 1HB ARG 100 3.874 16.107 -19.595 744 1HG ARG 100 2HG ARG 100 4.916 14.050 -20.541 745 2HG ARG 100 1HG ARG 100 3.653 13.089 -19.772 746 1HD ARG 100 2HD ARG 100 2.307 15.156 -21.166 747 2HD ARG 100 1HD ARG 100 3.534 14.516 -22.279 748 HE ARG 100 HE ARG 100 1.728 12.667 -20.770 749 1HH1 ARG 100 1HH2 ARG 100 1.859 14.235 -23.701 750 2HH1 ARG 100 2HH2 ARG 100 1.837 12.807 -24.681 751 1HH2 ARG 100 2HH1 ARG 100 2.273 10.643 -22.011 752 2HH2 ARG 100 1HH1 ARG 100 2.071 10.777 -23.726 753 H SER 107 1H SER 107 2.030 4.815 5.283 754 HA SER 107 HA SER 107 4.436 5.138 4.958 755 1HB SER 107 2HB SER 107 4.777 3.142 6.056 756 2HB SER 107 1HB SER 107 3.017 3.103 6.024 757 HG SER 107 HG SER 107 3.083 1.543 4.603 758 H THR 108 H THR 108 3.523 5.453 2.238 759 HA THR 108 HA THR 108 4.297 5.103 0.032 760 HB THR 108 HB THR 108 6.581 4.174 1.787 761 HG1 THR 108 HG1 THR 108 7.262 6.186 1.515 762 1HG2 THR 108 1HG2 THR 108 6.494 4.490 -1.224 763 2HG2 THR 108 2HG2 THR 108 6.852 3.016 -0.322 764 3HG2 THR 108 3HG2 THR 108 7.982 4.370 -0.287 765 H ASN 109 H ASN 109 3.125 3.527 -1.025 766 HA ASN 109 HA ASN 109 2.527 1.387 -1.825 767 1HB ASN 109 2HB ASN 109 4.967 1.415 -2.294 768 2HB ASN 109 1HB ASN 109 5.271 0.751 -0.688 769 1HD2 ASN 109 1HD2 ASN 109 5.338 -0.288 -3.732 770 2HD2 ASN 109 2HD2 ASN 109 4.703 -1.849 -3.561 771 HA PRO 110 HA PRO 110 1.088 0.157 2.344 772 1HB PRO 110 2HB PRO 110 -1.440 -0.451 1.492 773 2HB PRO 110 1HB PRO 110 -0.930 1.198 1.902 774 1HG PRO 110 2HG PRO 110 -1.145 -0.099 -0.777 775 2HG PRO 110 1HG PRO 110 -1.644 1.522 -0.268 776 1HD PRO 110 2HD PRO 110 0.645 1.094 -1.619 777 2HD PRO 110 1HD PRO 110 0.498 2.369 -0.392 778 H PHE 111 H PHE 111 1.910 -1.520 -0.422 779 HA PHE 111 HA PHE 111 0.802 -4.111 0.568 780 1HB PHE 111 2HB PHE 111 2.291 -3.740 -2.029 781 2HB PHE 111 1HB PHE 111 1.004 -4.884 -1.650 782 HD1 PHE 111 HD1 PHE 111 1.721 -1.276 -2.220 783 HD2 PHE 111 HD2 PHE 111 -1.301 -4.345 -2.089 784 HE1 PHE 111 HE1 PHE 111 0.061 0.307 -3.140 785 HE2 PHE 111 HE2 PHE 111 -2.945 -2.743 -2.999 786 HZ PHE 111 HZ PHE 111 -2.265 -0.418 -3.522 787 H ARG 112 HN ARG 112 3.825 -2.975 -0.961 788 HA ARG 112 HA ARG 112 5.470 -5.062 0.085 789 1HB ARG 112 2HB ARG 112 5.670 -2.681 -1.501 790 2HB ARG 112 1HB ARG 112 6.966 -2.660 -0.304 791 1HG ARG 112 2HG ARG 112 6.557 -5.294 -1.549 792 2HG ARG 112 1HG ARG 112 7.049 -4.041 -2.689 793 1HD ARG 112 2HD ARG 112 9.110 -3.724 -1.663 794 2HD ARG 112 1HD ARG 112 8.512 -4.236 -0.073 795 HE ARG 112 HE ARG 112 8.230 -6.503 -1.643 796 1HH1 ARG 112 1HH2 ARG 112 10.256 -6.111 0.628 797 2HH1 ARG 112 2HH2 ARG 112 11.734 -6.509 -0.184 798 1HH2 ARG 112 1HH1 ARG 112 10.371 -6.256 -3.359 799 2HH2 ARG 112 2HH1 ARG 112 11.798 -6.592 -2.437 Start of MODEL 7 1 HA PRO 6 HA PRO 6 -1.450 6.460 -27.070 2 1HB PRO 6 2HB PRO 6 -3.568 4.776 -26.669 3 2HB PRO 6 1HB PRO 6 -3.282 5.625 -28.201 4 1HG PRO 6 2HG PRO 6 -2.681 2.804 -27.462 5 2HG PRO 6 1HG PRO 6 -3.298 3.464 -28.985 6 1HD PRO 6 2HD PRO 6 -0.701 2.740 -28.612 7 2HD PRO 6 1HD PRO 6 -1.210 4.010 -29.747 8 H TRP 7 H TRP 7 -2.919 5.989 -24.942 9 HA TRP 7 HA TRP 7 -1.093 5.235 -22.835 10 1HB TRP 7 2HB TRP 7 -2.864 6.965 -22.705 11 2HB TRP 7 1HB TRP 7 -4.093 5.717 -22.893 12 HD1 TRP 7 HD1 TRP 7 -1.233 4.580 -20.850 13 HE1 TRP 7 HE1 TRP 7 -1.862 4.561 -18.349 14 HE3 TRP 7 HE3 TRP 7 -5.628 7.169 -21.029 15 HZ2 TRP 7 HZ2 TRP 7 -3.951 5.525 -16.649 16 HZ3 TRP 7 HZ3 TRP 7 -6.915 7.606 -18.957 17 HH2 TRP 7 HH2 TRP 7 -6.084 6.787 -16.770 18 H ALA 8 H ALA 8 -0.702 3.161 -22.171 19 HA ALA 8 HA ALA 8 -1.725 0.811 -23.194 20 1HB ALA 8 1HB ALA 8 -0.819 -0.224 -21.233 21 2HB ALA 8 2HB ALA 8 -1.074 1.239 -20.280 22 3HB ALA 8 3HB ALA 8 0.160 1.210 -21.541 23 H VAL 9 H VAL 9 -3.236 2.951 -20.890 24 HA VAL 9 HA VAL 9 -5.420 0.976 -20.418 25 HB VAL 9 HB VAL 9 -4.695 3.619 -19.117 26 1HG1 VAL 9 1HG1 VAL 9 -6.606 3.484 -17.914 27 2HG1 VAL 9 2HG1 VAL 9 -6.396 1.756 -17.634 28 3HG1 VAL 9 3HG1 VAL 9 -7.153 2.323 -19.122 29 1HG2 VAL 9 1HG2 VAL 9 -3.088 1.688 -18.792 30 2HG2 VAL 9 2HG2 VAL 9 -4.423 0.786 -18.063 31 3HG2 VAL 9 3HG2 VAL 9 -3.834 2.264 -17.300 32 H LYS 10 H LYS 10 -7.485 1.372 -21.228 33 HA LYS 10 HA LYS 10 -7.799 3.839 -22.900 34 1HB LYS 10 2HB LYS 10 -8.427 0.978 -23.149 35 2HB LYS 10 1HB LYS 10 -9.762 2.027 -23.620 36 1HG LYS 10 2HG LYS 10 -8.132 3.319 -25.050 37 2HG LYS 10 1HG LYS 10 -6.934 2.073 -24.700 38 1HD LYS 10 2HD LYS 10 -7.897 0.583 -26.112 39 2HD LYS 10 1HD LYS 10 -9.527 1.006 -25.591 40 1HE LYS 10 2HE LYS 10 -9.791 2.575 -27.249 41 2HE LYS 10 1HE LYS 10 -8.092 3.081 -27.174 42 1HZ LYS 10 1HZ LYS 10 -9.253 1.253 -28.947 43 2HZ LYS 10 2HZ LYS 10 -8.198 0.380 -27.943 44 3HZ LYS 10 3HZ LYS 10 -7.623 1.705 -28.836 45 HA PRO 11 HA PRO 11 -11.279 5.244 -20.647 46 1HB PRO 11 2HB PRO 11 -13.310 5.436 -22.489 47 2HB PRO 11 1HB PRO 11 -11.942 6.567 -22.423 48 1HG PRO 11 2HG PRO 11 -12.347 4.195 -24.194 49 2HG PRO 11 1HG PRO 11 -11.739 5.811 -24.598 50 1HD PRO 11 2HD PRO 11 -10.076 3.730 -24.258 51 2HD PRO 11 1HD PRO 11 -9.627 5.376 -23.754 52 H GLU 12 H GLU 12 -12.074 2.479 -22.760 53 HA GLU 12 HA GLU 12 -14.390 1.624 -21.261 54 1HB GLU 12 2HB GLU 12 -14.260 -0.292 -22.681 55 2HB GLU 12 1HB GLU 12 -13.608 1.031 -23.648 56 1HG GLU 12 2HG GLU 12 -11.322 0.362 -23.082 57 2HG GLU 12 1HG GLU 12 -11.936 -0.920 -22.035 58 H ASP 13 H ASP 13 -10.927 0.929 -21.068 59 HA ASP 13 HA ASP 13 -11.240 -1.058 -18.932 60 1HB ASP 13 2HB ASP 13 -9.261 -0.154 -20.793 61 2HB ASP 13 1HB ASP 13 -8.590 0.022 -19.172 62 H LYS 14 H LYS 14 -10.336 2.339 -19.296 63 HA LYS 14 HA LYS 14 -9.743 2.748 -16.473 64 1HB LYS 14 2HB LYS 14 -8.880 4.037 -18.515 65 2HB LYS 14 1HB LYS 14 -10.472 4.797 -18.580 66 1HG LYS 14 2HG LYS 14 -9.627 4.956 -15.883 67 2HG LYS 14 1HG LYS 14 -8.244 5.436 -16.867 68 1HD LYS 14 2HD LYS 14 -9.666 7.048 -18.082 69 2HD LYS 14 1HD LYS 14 -11.048 6.574 -17.093 70 1HE LYS 14 2HE LYS 14 -9.223 7.146 -15.143 71 2HE LYS 14 1HE LYS 14 -8.752 8.312 -16.396 72 1HZ LYS 14 1HZ LYS 14 -11.440 7.911 -15.207 73 2HZ LYS 14 2HZ LYS 14 -11.194 8.784 -16.643 74 3HZ LYS 14 3HZ LYS 14 -10.497 9.321 -15.189 75 H ALA 15 H ALA 15 -12.561 2.573 -18.422 76 HA ALA 15 HA ALA 15 -14.307 4.286 -16.859 77 1HB ALA 15 1HB ALA 15 -14.608 2.076 -18.901 78 2HB ALA 15 2HB ALA 15 -14.950 3.796 -19.092 79 3HB ALA 15 3HB ALA 15 -16.026 2.785 -18.126 80 H LYS 16 H LYS 16 -13.538 0.810 -16.912 81 HA LYS 16 HA LYS 16 -15.372 0.170 -14.736 82 1HB LYS 16 2HB LYS 16 -14.829 -1.968 -15.354 83 2HB LYS 16 1HB LYS 16 -14.093 -1.185 -16.750 84 1HG LYS 16 2HG LYS 16 -11.927 -1.217 -15.733 85 2HG LYS 16 1HG LYS 16 -12.596 -1.717 -14.179 86 1HD LYS 16 2HD LYS 16 -11.691 -3.695 -15.184 87 2HD LYS 16 1HD LYS 16 -13.444 -3.810 -15.355 88 1HE LYS 16 2HE LYS 16 -12.847 -2.495 -17.655 89 2HE LYS 16 1HE LYS 16 -11.369 -3.456 -17.449 90 1HZ LYS 16 1HZ LYS 16 -13.947 -4.742 -16.913 91 2HZ LYS 16 2HZ LYS 16 -12.507 -5.415 -17.512 92 3HZ LYS 16 3HZ LYS 16 -13.510 -4.499 -18.533 93 H TYR 17 H TYR 17 -12.069 1.239 -15.093 94 HA TYR 17 HA TYR 17 -11.130 0.553 -12.435 95 1HB TYR 17 2HB TYR 17 -10.290 2.655 -14.464 96 2HB TYR 17 1HB TYR 17 -9.337 2.185 -13.060 97 HD1 TYR 17 HD1 TYR 17 -7.846 1.886 -15.374 98 HD2 TYR 17 HD2 TYR 17 -10.945 -0.734 -13.961 99 HE1 TYR 17 HE1 TYR 17 -6.848 0.018 -16.669 100 HE2 TYR 17 HE2 TYR 17 -9.959 -2.599 -15.264 101 HH TYR 17 HH TYR 17 -8.337 -3.232 -16.633 102 H ASP 18 H ASP 18 -12.758 3.310 -13.917 103 HA ASP 18 HA ASP 18 -12.488 5.134 -11.694 104 1HB ASP 18 2HB ASP 18 -13.485 5.089 -14.326 105 2HB ASP 18 1HB ASP 18 -14.879 5.477 -13.316 106 H ALA 19 H ALA 19 -14.600 2.422 -12.312 107 HA ALA 19 HA ALA 19 -16.659 3.264 -10.394 108 1HB ALA 19 1HB ALA 19 -17.641 1.796 -11.844 109 2HB ALA 19 2HB ALA 19 -16.931 0.551 -10.816 110 3HB ALA 19 3HB ALA 19 -16.096 1.065 -12.282 111 H ILE 20 H ILE 20 -13.820 1.162 -10.491 112 HA ILE 20 HA ILE 20 -14.184 0.126 -7.801 113 HB ILE 20 HB ILE 20 -11.910 0.220 -9.808 114 1HG1 ILE 20 2HG1 ILE 20 -13.505 -2.184 -8.917 115 2HG1 ILE 20 1HG1 ILE 20 -14.068 -1.147 -10.228 116 1HG2 ILE 20 1HG2 ILE 20 -12.037 -1.549 -7.374 117 2HG2 ILE 20 2HG2 ILE 20 -11.270 0.037 -7.325 118 3HG2 ILE 20 3HG2 ILE 20 -10.653 -1.208 -8.413 119 1HD1 ILE 20 1HD1 ILE 20 -12.046 -1.548 -11.501 120 2HD1 ILE 20 2HD1 ILE 20 -12.700 -3.112 -11.010 121 3HD1 ILE 20 3HD1 ILE 20 -11.320 -2.423 -10.153 122 H PHE 21 H PHE 21 -12.567 2.793 -9.394 123 HA PHE 21 HA PHE 21 -10.973 3.612 -7.122 124 1HB PHE 21 2HB PHE 21 -10.108 4.418 -9.108 125 2HB PHE 21 1HB PHE 21 -11.700 4.564 -9.849 126 HD1 PHE 21 HD1 PHE 21 -9.079 6.273 -8.004 127 HD2 PHE 21 HD2 PHE 21 -13.197 6.479 -9.204 128 HE1 PHE 21 HE1 PHE 21 -9.112 8.695 -7.472 129 HE2 PHE 21 HE2 PHE 21 -13.234 8.900 -8.673 130 HZ PHE 21 HZ PHE 21 -11.196 10.007 -7.803 131 H ASP 22 H ASP 22 -14.109 4.513 -8.484 132 HA ASP 22 HA ASP 22 -14.603 6.534 -6.402 133 1HB ASP 22 2HB ASP 22 -15.384 7.001 -8.611 134 2HB ASP 22 1HB ASP 22 -16.125 5.404 -8.760 135 H SER 23 H SER 23 -14.653 3.236 -6.385 136 HA SER 23 HA SER 23 -17.206 2.877 -4.925 137 1HB SER 23 2HB SER 23 -14.992 1.181 -6.031 138 2HB SER 23 1HB SER 23 -16.027 0.498 -4.779 139 HG SER 23 HG SER 23 -16.645 0.327 -7.138 140 H LEU 24 H LEU 24 -13.989 3.726 -4.272 141 HA LEU 24 HA LEU 24 -14.038 2.695 -1.473 142 1HB LEU 24 2HB LEU 24 -11.817 4.269 -2.759 143 2HB LEU 24 1HB LEU 24 -11.706 2.981 -1.562 144 HG LEU 24 HG LEU 24 -12.603 2.567 -4.422 145 1HD1 LEU 24 1HD1 LEU 24 -10.027 3.157 -3.555 146 2HD1 LEU 24 2HD1 LEU 24 -10.445 2.337 -5.060 147 3HD1 LEU 24 3HD1 LEU 24 -10.045 1.396 -3.623 148 1HD2 LEU 24 1HD2 LEU 24 -12.493 0.246 -3.933 149 2HD2 LEU 24 2HD2 LEU 24 -13.294 0.952 -2.528 150 3HD2 LEU 24 3HD2 LEU 24 -11.584 0.523 -2.448 151 H SER 25 H SER 25 -14.619 5.474 -3.358 152 HA SER 25 HA SER 25 -15.550 7.561 -2.634 153 1HB SER 25 2HB SER 25 -15.896 6.218 -0.436 154 2HB SER 25 1HB SER 25 -14.430 7.024 0.107 155 HG SER 25 HG SER 25 -16.843 8.218 -0.797 156 HA PRO 26 HA PRO 26 -11.187 8.818 -3.274 157 1HB PRO 26 2HB PRO 26 -11.767 10.284 -5.504 158 2HB PRO 26 1HB PRO 26 -11.452 8.538 -5.549 159 1HG PRO 26 2HG PRO 26 -14.051 9.992 -5.597 160 2HG PRO 26 1HG PRO 26 -13.544 8.559 -6.505 161 1HD PRO 26 2HD PRO 26 -15.130 8.430 -4.294 162 2HD PRO 26 1HD PRO 26 -14.016 7.129 -4.766 163 H VAL 27 H VAL 27 -10.282 10.873 -2.931 164 HA VAL 27 HA VAL 27 -12.204 13.012 -2.071 165 HB VAL 27 HB VAL 27 -9.405 12.410 -1.057 166 1HG1 VAL 27 1HG1 VAL 27 -10.689 14.749 -0.875 167 2HG1 VAL 27 2HG1 VAL 27 -9.711 14.125 0.453 168 3HG1 VAL 27 3HG1 VAL 27 -11.464 13.929 0.481 169 1HG2 VAL 27 1HG2 VAL 27 -11.859 11.910 0.576 170 2HG2 VAL 27 2HG2 VAL 27 -10.299 11.087 0.617 171 3HG2 VAL 27 3HG2 VAL 27 -11.452 10.729 -0.669 172 H ASN 28 H ASN 28 -12.114 14.667 -3.551 173 HA ASN 28 HA ASN 28 -11.170 16.250 -5.044 174 1HB ASN 28 2HB ASN 28 -9.562 16.280 -3.001 175 2HB ASN 28 1HB ASN 28 -8.493 15.308 -4.011 176 1HD2 ASN 28 1HD2 ASN 28 -8.357 16.346 -6.415 177 2HD2 ASN 28 2HD2 ASN 28 -8.068 18.018 -6.429 178 H GLY 29 H GLY 29 -11.170 13.077 -5.345 179 1HA GLY 29 2HA GLY 29 -10.998 11.848 -7.391 180 2HA GLY 29 1HA GLY 29 -9.953 13.117 -8.037 181 H PHE 30 H PHE 30 -9.505 11.592 -4.880 182 HA PHE 30 HA PHE 30 -7.079 10.201 -5.940 183 1HB PHE 30 2HB PHE 30 -7.353 11.942 -3.471 184 2HB PHE 30 1HB PHE 30 -5.897 11.042 -3.912 185 HD1 PHE 30 HD1 PHE 30 -6.567 14.186 -3.685 186 HD2 PHE 30 HD2 PHE 30 -6.074 11.379 -6.885 187 HE1 PHE 30 HE1 PHE 30 -5.881 16.034 -5.190 188 HE2 PHE 30 HE2 PHE 30 -5.384 13.224 -8.400 189 HZ PHE 30 HZ PHE 30 -5.285 15.554 -7.552 190 H LEU 31 H LEU 31 -6.735 8.212 -5.094 191 HA LEU 31 HA LEU 31 -8.555 7.309 -2.881 192 1HB LEU 31 2HB LEU 31 -7.234 5.949 -5.229 193 2HB LEU 31 1HB LEU 31 -7.748 5.005 -3.830 194 HG LEU 31 HG LEU 31 -9.449 6.615 -5.725 195 1HD1 LEU 31 1HD1 LEU 31 -10.666 4.243 -5.263 196 2HD1 LEU 31 2HD1 LEU 31 -8.988 3.789 -4.950 197 3HD1 LEU 31 3HD1 LEU 31 -9.445 4.467 -6.517 198 1HD2 LEU 31 1HD2 LEU 31 -10.121 5.608 -2.944 199 2HD2 LEU 31 2HD2 LEU 31 -11.347 6.005 -4.149 200 3HD2 LEU 31 3HD2 LEU 31 -10.265 7.260 -3.545 201 H SER 32 H SER 32 -7.570 6.571 -1.024 202 HA SER 32 HA SER 32 -4.678 7.018 -0.791 203 1HB SER 32 2HB SER 32 -5.306 6.264 1.623 204 2HB SER 32 1HB SER 32 -5.961 7.788 1.032 205 HG SER 32 HG SER 32 -7.835 6.924 1.403 206 H GLY 33 H GLY 33 -3.131 5.414 -0.508 207 1HA GLY 33 2HA GLY 33 -3.371 2.907 -1.664 208 2HA GLY 33 1HA GLY 33 -2.269 3.216 -0.320 209 H ASP 34 H ASP 34 -4.611 3.953 1.421 210 HA ASP 34 HA ASP 34 -5.087 1.363 2.586 211 1HB ASP 34 2HB ASP 34 -5.016 3.640 3.700 212 2HB ASP 34 1HB ASP 34 -6.606 3.950 3.002 213 H LYS 35 H LYS 35 -6.780 3.267 0.164 214 HA LYS 35 HA LYS 35 -9.226 1.608 0.386 215 1HB LYS 35 2HB LYS 35 -8.328 4.007 -1.238 216 2HB LYS 35 1HB LYS 35 -9.868 3.202 -1.530 217 1HG LYS 35 2HG LYS 35 -10.128 3.496 1.099 218 2HG LYS 35 1HG LYS 35 -8.991 4.818 0.830 219 1HD LYS 35 2HD LYS 35 -10.645 5.395 -1.162 220 2HD LYS 35 1HD LYS 35 -11.793 4.495 -0.171 221 1HE LYS 35 2HE LYS 35 -10.300 6.286 1.527 222 2HE LYS 35 1HE LYS 35 -10.997 7.197 0.174 223 1HZ LYS 35 1HZ LYS 35 -12.757 7.069 1.655 224 2HZ LYS 35 2HZ LYS 35 -12.366 5.494 2.156 225 3HZ LYS 35 3HZ LYS 35 -13.062 5.754 0.628 226 H VAL 36 H VAL 36 -6.441 2.228 -1.687 227 HA VAL 36 HA VAL 36 -7.287 0.459 -3.844 228 HB VAL 36 HB VAL 36 -4.615 1.598 -3.008 229 1HG1 VAL 36 1HG1 VAL 36 -5.049 0.967 -5.831 230 2HG1 VAL 36 2HG1 VAL 36 -5.107 -0.455 -4.788 231 3HG1 VAL 36 3HG1 VAL 36 -3.678 0.578 -4.788 232 1HG2 VAL 36 1HG2 VAL 36 -5.084 3.415 -4.430 233 2HG2 VAL 36 2HG2 VAL 36 -6.628 3.129 -3.627 234 3HG2 VAL 36 3HG2 VAL 36 -6.364 2.541 -5.271 235 H LYS 37 H LYS 37 -5.087 0.172 -1.061 236 HA LYS 37 HA LYS 37 -3.800 -2.206 -1.481 237 1HB LYS 37 2HB LYS 37 -3.424 -1.030 0.532 238 2HB LYS 37 1HB LYS 37 -5.136 -1.021 0.949 239 1HG LYS 37 2HG LYS 37 -4.979 -3.016 1.997 240 2HG LYS 37 1HG LYS 37 -4.117 -3.734 0.634 241 1HD LYS 37 2HD LYS 37 -2.081 -3.393 1.582 242 2HD LYS 37 1HD LYS 37 -2.523 -1.791 2.172 243 1HE LYS 37 2HE LYS 37 -4.019 -3.865 3.574 244 2HE LYS 37 1HE LYS 37 -2.267 -4.095 3.742 245 1HZ LYS 37 1HZ LYS 37 -2.782 -2.536 5.380 246 2HZ LYS 37 2HZ LYS 37 -3.876 -1.699 4.386 247 3HZ LYS 37 3HZ LYS 37 -2.205 -1.586 4.100 248 HA PRO 38 HA PRO 38 -7.573 -4.817 -0.027 249 1HB PRO 38 2HB PRO 38 -10.005 -3.549 0.002 250 2HB PRO 38 1HB PRO 38 -8.944 -3.647 1.424 251 1HG PRO 38 2HG PRO 38 -9.303 -1.411 -0.520 252 2HG PRO 38 1HG PRO 38 -9.165 -1.354 1.246 253 1HD PRO 38 2HD PRO 38 -7.094 -0.758 -0.357 254 2HD PRO 38 1HD PRO 38 -6.868 -1.569 1.209 255 H VAL 39 H VAL 39 -8.107 -2.239 -2.366 256 HA VAL 39 HA VAL 39 -9.879 -3.614 -4.150 257 HB VAL 39 HB VAL 39 -7.931 -1.320 -4.232 258 1HG1 VAL 39 1HG1 VAL 39 -9.594 -1.705 -6.651 259 2HG1 VAL 39 2HG1 VAL 39 -8.199 -2.769 -6.518 260 3HG1 VAL 39 3HG1 VAL 39 -7.977 -1.023 -6.488 261 1HG2 VAL 39 1HG2 VAL 39 -10.181 -0.223 -4.965 262 2HG2 VAL 39 2HG2 VAL 39 -9.982 -0.707 -3.281 263 3HG2 VAL 39 3HG2 VAL 39 -10.907 -1.722 -4.386 264 H LEU 40 H LEU 40 -6.376 -3.568 -3.739 265 HA LEU 40 HA LEU 40 -5.916 -5.211 -6.149 266 1HB LEU 40 2HB LEU 40 -4.067 -4.221 -3.953 267 2HB LEU 40 1HB LEU 40 -3.590 -4.795 -5.553 268 HG LEU 40 HG LEU 40 -5.502 -2.492 -5.185 269 1HD1 LEU 40 1HD1 LEU 40 -3.631 -1.568 -4.211 270 2HD1 LEU 40 2HD1 LEU 40 -3.324 -1.204 -5.909 271 3HD1 LEU 40 3HD1 LEU 40 -2.512 -2.568 -5.137 272 1HD2 LEU 40 1HD2 LEU 40 -5.544 -3.569 -7.347 273 2HD2 LEU 40 2HD2 LEU 40 -3.782 -3.515 -7.445 274 3HD2 LEU 40 3HD2 LEU 40 -4.715 -2.020 -7.507 275 H LEU 41 H LEU 41 -6.158 -5.591 -2.667 276 HA LEU 41 HA LEU 41 -4.875 -8.163 -2.472 277 1HB LEU 41 2HB LEU 41 -6.891 -6.585 -0.867 278 2HB LEU 41 1HB LEU 41 -6.365 -8.187 -0.355 279 HG LEU 41 HG LEU 41 -4.444 -5.932 -0.967 280 1HD1 LEU 41 1HD1 LEU 41 -6.047 -5.493 0.975 281 2HD1 LEU 41 2HD1 LEU 41 -4.329 -5.472 1.378 282 3HD1 LEU 41 3HD1 LEU 41 -5.310 -6.884 1.772 283 1HD2 LEU 41 1HD2 LEU 41 -3.536 -7.912 0.907 284 2HD2 LEU 41 2HD2 LEU 41 -2.881 -7.532 -0.686 285 3HD2 LEU 41 3HD2 LEU 41 -4.164 -8.732 -0.525 286 H ASN 42 H ASN 42 -7.847 -7.055 -3.782 287 HA ASN 42 HA ASN 42 -9.247 -9.620 -3.426 288 1HB ASN 42 2HB ASN 42 -9.827 -6.842 -4.281 289 2HB ASN 42 1HB ASN 42 -10.812 -8.089 -5.045 290 1HD2 ASN 42 1HD2 ASN 42 -11.394 -6.012 -2.805 291 2HD2 ASN 42 2HD2 ASN 42 -12.099 -6.947 -1.575 292 H SER 43 H SER 43 -6.941 -8.462 -5.548 293 HA SER 43 HA SER 43 -8.042 -9.535 -8.047 294 1HB SER 43 2HB SER 43 -5.797 -8.869 -8.878 295 2HB SER 43 1HB SER 43 -6.556 -7.578 -7.949 296 HG SER 43 HG SER 43 -4.931 -7.696 -6.641 297 H LYS 44 H LYS 44 -7.208 -11.182 -5.423 298 HA LYS 44 HA LYS 44 -6.483 -13.409 -5.078 299 1HB LYS 44 2HB LYS 44 -7.615 -13.214 -7.619 300 2HB LYS 44 1HB LYS 44 -6.064 -13.999 -7.914 301 1HG LYS 44 2HG LYS 44 -7.320 -15.103 -5.548 302 2HG LYS 44 1HG LYS 44 -8.409 -15.210 -6.932 303 1HD LYS 44 2HD LYS 44 -5.644 -15.903 -7.610 304 2HD LYS 44 1HD LYS 44 -6.336 -16.966 -6.383 305 1HE LYS 44 2HE LYS 44 -6.784 -17.783 -8.711 306 2HE LYS 44 1HE LYS 44 -8.284 -17.403 -7.841 307 1HZ LYS 44 1HZ LYS 44 -7.673 -16.360 -10.219 308 2HZ LYS 44 2HZ LYS 44 -7.006 -15.176 -9.197 309 3HZ LYS 44 3HZ LYS 44 -8.654 -15.575 -9.080 310 H LEU 45 H LEU 45 -4.631 -10.976 -6.072 311 HA LEU 45 HA LEU 45 -2.195 -12.556 -6.758 312 1HB LEU 45 2HB LEU 45 -3.131 -9.710 -6.958 313 2HB LEU 45 1HB LEU 45 -1.400 -10.048 -6.980 314 HG LEU 45 HG LEU 45 -3.437 -11.321 -8.831 315 1HD1 LEU 45 1HD1 LEU 45 -2.765 -8.768 -9.018 316 2HD1 LEU 45 2HD1 LEU 45 -2.832 -9.778 -10.458 317 3HD1 LEU 45 3HD1 LEU 45 -1.280 -9.428 -9.703 318 1HD2 LEU 45 1HD2 LEU 45 -1.757 -12.654 -9.584 319 2HD2 LEU 45 2HD2 LEU 45 -0.955 -12.265 -8.060 320 3HD2 LEU 45 3HD2 LEU 45 -0.575 -11.347 -9.516 321 HA PRO 46 HA PRO 46 -0.504 -11.931 -2.754 322 1HB PRO 46 2HB PRO 46 2.162 -11.877 -3.356 323 2HB PRO 46 1HB PRO 46 1.197 -13.364 -3.405 324 1HG PRO 46 2HG PRO 46 2.140 -11.651 -5.625 325 2HG PRO 46 1HG PRO 46 1.922 -13.405 -5.562 326 1HD PRO 46 2HD PRO 46 0.170 -11.640 -6.759 327 2HD PRO 46 1HD PRO 46 -0.249 -13.277 -6.219 328 H VAL 47 H VAL 47 1.065 -10.334 -1.602 329 HA VAL 47 HA VAL 47 0.397 -7.624 -2.321 330 HB VAL 47 HB VAL 47 2.052 -9.070 -0.265 331 1HG1 VAL 47 1HG1 VAL 47 1.834 -6.067 -0.446 332 2HG1 VAL 47 2HG1 VAL 47 3.271 -6.972 -0.917 333 3HG1 VAL 47 3HG1 VAL 47 2.722 -7.000 0.757 334 1HG2 VAL 47 1HG2 VAL 47 0.429 -8.022 1.262 335 2HG2 VAL 47 2HG2 VAL 47 -0.401 -8.923 -0.007 336 3HG2 VAL 47 3HG2 VAL 47 -0.299 -7.164 -0.096 337 H ASP 48 H ASP 48 2.672 -9.752 -3.570 338 HA ASP 48 HA ASP 48 4.886 -7.889 -3.908 339 1HB ASP 48 2HB ASP 48 4.914 -10.458 -3.770 340 2HB ASP 48 1HB ASP 48 4.315 -10.441 -5.427 341 H ILE 49 H ILE 49 2.050 -8.922 -5.700 342 HA ILE 49 HA ILE 49 2.861 -7.525 -8.158 343 HB ILE 49 HB ILE 49 0.093 -8.512 -7.459 344 1HG1 ILE 49 2HG1 ILE 49 1.576 -10.320 -6.770 345 2HG1 ILE 49 1HG1 ILE 49 0.806 -10.759 -8.292 346 1HG2 ILE 49 1HG2 ILE 49 1.686 -7.921 -9.900 347 2HG2 ILE 49 2HG2 ILE 49 -0.030 -7.669 -9.586 348 3HG2 ILE 49 3HG2 ILE 49 0.565 -9.279 -9.993 349 1HD1 ILE 49 1HD1 ILE 49 3.562 -9.530 -8.050 350 2HD1 ILE 49 2HD1 ILE 49 2.790 -10.092 -9.535 351 3HD1 ILE 49 3HD1 ILE 49 3.242 -11.249 -8.282 352 H LEU 50 H LEU 50 0.628 -7.125 -5.459 353 HA LEU 50 HA LEU 50 -0.564 -4.656 -6.398 354 1HB LEU 50 2HB LEU 50 -0.291 -5.654 -3.555 355 2HB LEU 50 1HB LEU 50 -1.594 -4.686 -4.243 356 HG LEU 50 HG LEU 50 -0.981 -7.598 -4.787 357 1HD1 LEU 50 1HD1 LEU 50 -2.284 -7.317 -2.802 358 2HD1 LEU 50 2HD1 LEU 50 -3.414 -7.781 -4.072 359 3HD1 LEU 50 3HD1 LEU 50 -3.304 -6.096 -3.565 360 1HD2 LEU 50 1HD2 LEU 50 -1.845 -7.310 -6.849 361 2HD2 LEU 50 2HD2 LEU 50 -2.171 -5.608 -6.520 362 3HD2 LEU 50 3HD2 LEU 50 -3.364 -6.834 -6.088 363 H GLY 51 H GLY 51 2.303 -5.556 -4.606 364 1HA GLY 51 2HA GLY 51 2.817 -2.901 -3.521 365 2HA GLY 51 1HA GLY 51 3.969 -4.239 -3.575 366 H ARG 52 H ARG 52 3.428 -4.607 -6.466 367 HA ARG 52 HA ARG 52 5.267 -2.494 -7.461 368 1HB ARG 52 2HB ARG 52 5.165 -5.254 -7.632 369 2HB ARG 52 1HB ARG 52 4.543 -4.736 -9.198 370 1HG ARG 52 2HG ARG 52 6.571 -3.093 -9.176 371 2HG ARG 52 1HG ARG 52 7.223 -4.200 -7.966 372 1HD ARG 52 2HD ARG 52 6.092 -5.513 -10.362 373 2HD ARG 52 1HD ARG 52 7.565 -4.567 -10.642 374 HE ARG 52 HE ARG 52 8.439 -5.859 -8.544 375 1HH1 ARG 52 1HH2 ARG 52 5.655 -7.375 -9.048 376 2HH1 ARG 52 2HH2 ARG 52 6.293 -8.886 -9.607 377 1HH2 ARG 52 2HH1 ARG 52 9.510 -7.665 -10.050 378 2HH2 ARG 52 1HH1 ARG 52 8.476 -9.050 -10.175 379 H VAL 53 H VAL 53 2.000 -3.761 -7.834 380 HA VAL 53 HA VAL 53 1.519 -2.464 -10.402 381 HB VAL 53 HB VAL 53 -0.144 -3.742 -8.228 382 1HG1 VAL 53 1HG1 VAL 53 -1.772 -3.327 -10.494 383 2HG1 VAL 53 2HG1 VAL 53 -1.024 -1.769 -10.155 384 3HG1 VAL 53 3HG1 VAL 53 -1.959 -2.588 -8.905 385 1HG2 VAL 53 1HG2 VAL 53 -0.268 -4.552 -11.089 386 2HG2 VAL 53 2HG2 VAL 53 -0.179 -5.553 -9.638 387 3HG2 VAL 53 3HG2 VAL 53 1.282 -4.806 -10.283 388 H TRP 54 H TRP 54 1.037 -1.626 -6.994 389 HA TRP 54 HA TRP 54 -0.430 0.816 -7.460 390 1HB TRP 54 2HB TRP 54 -0.533 -0.041 -5.270 391 2HB TRP 54 1HB TRP 54 1.195 -0.403 -5.233 392 HD1 TRP 54 HD1 TRP 54 2.866 1.758 -5.148 393 HE1 TRP 54 HE1 TRP 54 2.551 4.048 -4.048 394 HE3 TRP 54 HE3 TRP 54 -2.187 1.711 -4.498 395 HZ2 TRP 54 HZ2 TRP 54 0.425 5.655 -2.980 396 HZ3 TRP 54 HZ3 TRP 54 -3.337 3.635 -3.426 397 HH2 TRP 54 HH2 TRP 54 -2.034 5.597 -2.665 398 H GLU 55 H GLU 55 3.033 0.125 -6.834 399 HA GLU 55 HA GLU 55 4.025 2.746 -6.883 400 1HB GLU 55 2HB GLU 55 5.135 0.107 -7.839 401 2HB GLU 55 1HB GLU 55 6.112 1.572 -7.734 402 1HG GLU 55 2HG GLU 55 4.579 1.132 -5.305 403 2HG GLU 55 1HG GLU 55 5.629 -0.238 -5.664 404 H LEU 56 H LEU 56 3.921 0.530 -9.703 405 HA LEU 56 HA LEU 56 4.574 2.573 -11.609 406 1HB LEU 56 2HB LEU 56 3.053 -0.047 -11.868 407 2HB LEU 56 1HB LEU 56 3.670 0.881 -13.234 408 HG LEU 56 HG LEU 56 5.654 0.337 -11.114 409 1HD1 LEU 56 1HD1 LEU 56 5.734 -1.943 -11.234 410 2HD1 LEU 56 2HD1 LEU 56 5.176 -1.976 -12.907 411 3HD1 LEU 56 3HD1 LEU 56 4.017 -1.760 -11.596 412 1HD2 LEU 56 1HD2 LEU 56 5.543 0.909 -13.938 413 2HD2 LEU 56 2HD2 LEU 56 6.427 -0.597 -13.703 414 3HD2 LEU 56 3HD2 LEU 56 6.963 0.872 -12.893 415 H SER 57 H SER 57 1.722 1.852 -9.839 416 HA SER 57 HA SER 57 -0.139 3.209 -11.686 417 1HB SER 57 2HB SER 57 -0.901 1.304 -10.388 418 2HB SER 57 1HB SER 57 -0.342 2.043 -8.893 419 HG SER 57 HG SER 57 -2.114 3.485 -10.496 420 H ASP 58 H ASP 58 1.721 3.850 -8.770 421 HA ASP 58 HA ASP 58 0.437 6.338 -8.047 422 1HB ASP 58 2HB ASP 58 2.167 4.584 -6.901 423 2HB ASP 58 1HB ASP 58 3.290 5.848 -7.400 424 H ILE 59 H ILE 59 0.392 7.835 -9.769 425 HA ILE 59 HA ILE 59 2.658 8.249 -11.545 426 HB ILE 59 HB ILE 59 0.150 9.863 -10.973 427 1HG1 ILE 59 2HG1 ILE 59 -0.250 7.520 -11.705 428 2HG1 ILE 59 1HG1 ILE 59 -0.757 8.684 -12.929 429 1HG2 ILE 59 1HG2 ILE 59 2.398 10.620 -12.432 430 2HG2 ILE 59 2HG2 ILE 59 0.781 11.304 -12.599 431 3HG2 ILE 59 3HG2 ILE 59 1.297 9.994 -13.660 432 1HD1 ILE 59 1HD1 ILE 59 0.465 6.997 -14.103 433 2HD1 ILE 59 2HD1 ILE 59 1.757 7.000 -12.902 434 3HD1 ILE 59 3HD1 ILE 59 1.551 8.382 -13.981 435 H ASP 60 H ASP 60 1.302 10.052 -8.758 436 HA ASP 60 HA ASP 60 3.673 11.866 -8.868 437 1HB ASP 60 2HB ASP 60 2.269 13.307 -7.432 438 2HB ASP 60 1HB ASP 60 1.408 12.844 -8.900 439 H HIS 61 H HIS 61 2.667 9.079 -7.257 440 HA HIS 61 HA HIS 61 3.502 7.981 -5.346 441 1HB HIS 61 2HB HIS 61 5.561 10.193 -5.633 442 2HB HIS 61 1HB HIS 61 5.748 8.774 -4.608 443 HD1 HIS 61 HD1 HIS 61 7.873 8.680 -6.503 444 HD2 HIS 61 HD2 HIS 61 4.058 7.506 -7.692 445 HE1 HIS 61 HE1 HIS 61 8.178 7.252 -8.571 446 H ASP 62 H ASP 62 1.403 9.820 -4.901 447 HA ASP 62 HA ASP 62 2.187 11.316 -2.444 448 1HB ASP 62 2HB ASP 62 -0.104 12.290 -2.770 449 2HB ASP 62 1HB ASP 62 0.924 12.493 -4.189 450 H GLY 63 H GLY 63 1.877 8.299 -2.711 451 1HA GLY 63 2HA GLY 63 0.945 6.553 -1.448 452 2HA GLY 63 1HA GLY 63 0.584 7.779 -0.230 453 H MET 64 H MET 64 -0.613 7.943 -3.530 454 HA MET 64 HA MET 64 -3.309 7.014 -2.699 455 1HB MET 64 2HB MET 64 -2.649 9.813 -3.667 456 2HB MET 64 1HB MET 64 -4.279 9.179 -3.482 457 1HG MET 64 2HG MET 64 -4.018 8.962 -1.114 458 2HG MET 64 1HG MET 64 -2.291 9.305 -1.213 459 1HE MET 64 1HE MET 64 -4.697 10.683 0.561 460 2HE MET 64 2HE MET 64 -5.780 10.542 -0.822 461 3HE MET 64 3HE MET 64 -5.412 12.132 -0.159 462 H LEU 65 H LEU 65 -4.759 6.824 -4.591 463 HA LEU 65 HA LEU 65 -3.279 6.728 -7.202 464 1HB LEU 65 2HB LEU 65 -5.135 4.813 -5.810 465 2HB LEU 65 1HB LEU 65 -5.058 4.817 -7.572 466 HG LEU 65 HG LEU 65 -2.695 4.470 -5.706 467 1HD1 LEU 65 1HD1 LEU 65 -3.478 2.346 -5.642 468 2HD1 LEU 65 2HD1 LEU 65 -2.886 2.233 -7.297 469 3HD1 LEU 65 3HD1 LEU 65 -4.582 2.613 -6.990 470 1HD2 LEU 65 1HD2 LEU 65 -1.568 3.846 -7.919 471 2HD2 LEU 65 2HD2 LEU 65 -1.919 5.559 -7.691 472 3HD2 LEU 65 3HD2 LEU 65 -2.959 4.575 -8.720 473 H ASP 66 H ASP 66 -4.106 8.623 -8.128 474 HA ASP 66 HA ASP 66 -6.817 9.544 -7.762 475 1HB ASP 66 2HB ASP 66 -5.083 10.201 -10.141 476 2HB ASP 66 1HB ASP 66 -6.167 11.261 -9.245 477 H ARG 67 H ARG 67 -8.498 9.576 -9.424 478 HA ARG 67 HA ARG 67 -9.378 7.233 -10.507 479 1HB ARG 67 2HB ARG 67 -10.396 8.718 -12.322 480 2HB ARG 67 1HB ARG 67 -10.672 9.240 -10.660 481 1HG ARG 67 2HG ARG 67 -8.616 10.715 -10.899 482 2HG ARG 67 1HG ARG 67 -8.643 10.337 -12.622 483 1HD ARG 67 2HD ARG 67 -11.148 11.098 -12.506 484 2HD ARG 67 1HD ARG 67 -10.645 11.908 -11.008 485 HE ARG 67 HE ARG 67 -8.841 12.349 -13.283 486 1HH1 ARG 67 1HH2 ARG 67 -9.840 14.014 -10.751 487 2HH1 ARG 67 2HH2 ARG 67 -10.492 15.387 -11.582 488 1HH2 ARG 67 2HH1 ARG 67 -10.435 13.858 -14.695 489 2HH2 ARG 67 1HH1 ARG 67 -10.830 15.298 -13.816 490 H ASP 68 H ASP 68 -6.971 9.351 -12.040 491 HA ASP 68 HA ASP 68 -6.706 7.646 -14.404 492 1HB ASP 68 2HB ASP 68 -4.945 9.869 -13.315 493 2HB ASP 68 1HB ASP 68 -4.968 9.274 -14.976 494 H GLU 69 H GLU 69 -4.978 8.113 -11.345 495 HA GLU 69 HA GLU 69 -2.744 6.374 -12.061 496 1HB GLU 69 2HB GLU 69 -3.792 7.249 -9.349 497 2HB GLU 69 1HB GLU 69 -2.156 6.699 -9.714 498 1HG GLU 69 2HG GLU 69 -2.227 8.658 -11.483 499 2HG GLU 69 1HG GLU 69 -3.479 9.293 -10.416 500 H PHE 70 H PHE 70 -5.759 6.044 -10.218 501 HA PHE 70 HA PHE 70 -5.388 3.357 -9.316 502 1HB PHE 70 2HB PHE 70 -7.094 5.169 -8.663 503 2HB PHE 70 1HB PHE 70 -7.987 4.701 -10.107 504 HD1 PHE 70 HD1 PHE 70 -7.100 3.815 -6.694 505 HD2 PHE 70 HD2 PHE 70 -8.857 2.356 -10.333 506 HE1 PHE 70 HE1 PHE 70 -8.121 1.933 -5.446 507 HE2 PHE 70 HE2 PHE 70 -9.877 0.473 -9.083 508 HZ PHE 70 HZ PHE 70 -9.508 0.265 -6.641 509 H ALA 71 H ALA 71 -6.243 4.744 -12.406 510 HA ALA 71 HA ALA 71 -7.478 2.387 -13.561 511 1HB ALA 71 1HB ALA 71 -6.050 4.740 -14.841 512 2HB ALA 71 2HB ALA 71 -7.741 4.747 -14.338 513 3HB ALA 71 3HB ALA 71 -7.211 3.675 -15.635 514 H VAL 72 H VAL 72 -4.199 3.765 -13.697 515 HA VAL 72 HA VAL 72 -3.078 1.783 -15.426 516 HB VAL 72 HB VAL 72 -1.850 3.514 -13.254 517 1HG1 VAL 72 1HG1 VAL 72 0.252 3.022 -14.123 518 2HG1 VAL 72 2HG1 VAL 72 -0.393 2.561 -15.698 519 3HG1 VAL 72 3HG1 VAL 72 -0.556 1.467 -14.324 520 1HG2 VAL 72 1HG2 VAL 72 -1.892 4.036 -16.230 521 2HG2 VAL 72 2HG2 VAL 72 -1.571 5.179 -14.924 522 3HG2 VAL 72 3HG2 VAL 72 -3.209 4.576 -15.187 523 H ALA 73 H ALA 73 -3.882 1.755 -12.041 524 HA ALA 73 HA ALA 73 -2.168 -0.586 -11.439 525 1HB ALA 73 1HB ALA 73 -3.971 -0.017 -9.346 526 2HB ALA 73 2HB ALA 73 -3.563 1.544 -10.060 527 3HB ALA 73 3HB ALA 73 -2.285 0.490 -9.459 528 H MET 74 H MET 74 -5.207 -0.097 -12.851 529 HA MET 74 HA MET 74 -6.454 -2.496 -11.651 530 1HB MET 74 2HB MET 74 -7.248 -0.547 -13.841 531 2HB MET 74 1HB MET 74 -8.285 -1.854 -13.269 532 1HG MET 74 2HG MET 74 -7.128 -0.063 -11.197 533 2HG MET 74 1HG MET 74 -8.385 0.624 -12.225 534 1HE MET 74 1HE MET 74 -7.230 -1.471 -9.594 535 2HE MET 74 2HE MET 74 -7.761 -2.987 -10.315 536 3HE MET 74 3HE MET 74 -8.594 -2.355 -8.896 537 H PHE 75 H PHE 75 -5.178 -1.473 -14.827 538 HA PHE 75 HA PHE 75 -5.607 -4.104 -16.007 539 1HB PHE 75 2HB PHE 75 -4.786 -3.081 -17.948 540 2HB PHE 75 1HB PHE 75 -5.406 -1.692 -17.061 541 HD1 PHE 75 HD1 PHE 75 -2.316 -3.644 -17.785 542 HD2 PHE 75 HD2 PHE 75 -3.966 0.051 -16.353 543 HE1 PHE 75 HE1 PHE 75 -0.055 -2.627 -17.805 544 HE2 PHE 75 HE2 PHE 75 -1.711 1.066 -16.376 545 HZ PHE 75 HZ PHE 75 0.250 -0.268 -17.100 546 H LEU 76 H LEU 76 -3.116 -2.468 -14.209 547 HA LEU 76 HA LEU 76 -0.902 -4.213 -14.819 548 1HB LEU 76 2HB LEU 76 -1.683 -2.179 -12.772 549 2HB LEU 76 1HB LEU 76 -0.337 -3.246 -12.378 550 HG LEU 76 HG LEU 76 -0.526 -1.649 -14.942 551 1HD1 LEU 76 1HD1 LEU 76 1.400 -1.025 -12.731 552 2HD1 LEU 76 2HD1 LEU 76 -0.257 -0.434 -12.602 553 3HD1 LEU 76 3HD1 LEU 76 0.743 0.039 -13.975 554 1HD2 LEU 76 1HD2 LEU 76 2.090 -2.208 -14.569 555 2HD2 LEU 76 2HD2 LEU 76 1.008 -3.281 -15.456 556 3HD2 LEU 76 3HD2 LEU 76 1.381 -3.608 -13.763 557 H VAL 77 H VAL 77 -3.651 -4.337 -12.674 558 HA VAL 77 HA VAL 77 -2.631 -6.700 -11.217 559 HB VAL 77 HB VAL 77 -5.034 -4.855 -11.078 560 1HG1 VAL 77 1HG1 VAL 77 -4.666 -7.588 -9.955 561 2HG1 VAL 77 2HG1 VAL 77 -6.153 -6.719 -10.339 562 3HG1 VAL 77 3HG1 VAL 77 -5.285 -6.366 -8.845 563 1HG2 VAL 77 1HG2 VAL 77 -3.417 -3.793 -9.855 564 2HG2 VAL 77 2HG2 VAL 77 -2.481 -5.270 -9.623 565 3HG2 VAL 77 3HG2 VAL 77 -3.890 -4.952 -8.612 566 H TYR 78 H TYR 78 -5.652 -5.871 -12.945 567 HA TYR 78 HA TYR 78 -6.764 -8.383 -13.207 568 1HB TYR 78 2HB TYR 78 -6.770 -5.841 -14.708 569 2HB TYR 78 1HB TYR 78 -7.344 -7.241 -15.617 570 HD1 TYR 78 HD1 TYR 78 -8.644 -4.634 -13.981 571 HD2 TYR 78 HD2 TYR 78 -8.629 -8.914 -13.646 572 HE1 TYR 78 HE1 TYR 78 -10.802 -4.545 -12.763 573 HE2 TYR 78 HE2 TYR 78 -10.788 -8.826 -12.429 574 HH TYR 78 HH TYR 78 -11.938 -6.555 -10.899 575 H CYS 79 H CYS 79 -3.963 -7.156 -14.946 576 HA CYS 79 HA CYS 79 -4.009 -9.299 -16.942 577 1HB CYS 79 2HB CYS 79 -2.122 -7.082 -16.129 578 2HB CYS 79 1HB CYS 79 -1.692 -8.245 -17.384 579 HG CYS 79 HG CYS 79 -3.209 -5.909 -18.049 580 H ALA 80 H ALA 80 -2.995 -9.020 -13.690 581 HA ALA 80 HA ALA 80 -0.866 -11.048 -13.958 582 1HB ALA 80 1HB ALA 80 -1.901 -9.150 -11.921 583 2HB ALA 80 2HB ALA 80 -0.234 -9.556 -12.325 584 3HB ALA 80 3HB ALA 80 -1.180 -10.635 -11.298 585 H LEU 81 H LEU 81 -4.242 -10.917 -13.519 586 HA LEU 81 HA LEU 81 -4.394 -13.446 -12.010 587 1HB LEU 81 2HB LEU 81 -6.443 -11.560 -13.201 588 2HB LEU 81 1HB LEU 81 -6.869 -13.010 -12.293 589 HG LEU 81 HG LEU 81 -5.367 -12.071 -10.431 590 1HD1 LEU 81 1HD1 LEU 81 -5.599 -9.740 -12.316 591 2HD1 LEU 81 2HD1 LEU 81 -4.163 -10.381 -11.525 592 3HD1 LEU 81 3HD1 LEU 81 -5.359 -9.490 -10.587 593 1HD2 LEU 81 1HD2 LEU 81 -7.514 -11.855 -9.700 594 2HD2 LEU 81 2HD2 LEU 81 -8.081 -11.290 -11.271 595 3HD2 LEU 81 3HD2 LEU 81 -7.333 -10.158 -10.145 596 H GLU 82 H GLU 82 -5.190 -12.183 -15.229 597 HA GLU 82 HA GLU 82 -6.097 -14.744 -16.241 598 1HB GLU 82 2HB GLU 82 -5.137 -12.229 -17.644 599 2HB GLU 82 1HB GLU 82 -6.085 -13.518 -18.384 600 1HG GLU 82 2HG GLU 82 -7.505 -12.831 -16.068 601 2HG GLU 82 1HG GLU 82 -6.985 -11.290 -16.750 602 H LYS 83 H LYS 83 -3.207 -12.790 -16.970 603 HA LYS 83 HA LYS 83 -1.302 -14.904 -16.732 604 1HB LYS 83 2HB LYS 83 -2.676 -15.859 -18.578 605 2HB LYS 83 1HB LYS 83 -2.337 -14.428 -19.550 606 1HG LYS 83 2HG LYS 83 -0.279 -15.177 -20.110 607 2HG LYS 83 1HG LYS 83 0.089 -15.632 -18.446 608 1HD LYS 83 2HD LYS 83 -1.916 -17.414 -19.486 609 2HD LYS 83 1HD LYS 83 -0.555 -17.356 -20.609 610 1HE LYS 83 2HE LYS 83 0.414 -17.462 -17.875 611 2HE LYS 83 1HE LYS 83 -0.671 -18.826 -18.211 612 1HZ LYS 83 1HZ LYS 83 0.573 -18.952 -20.426 613 2HZ LYS 83 2HZ LYS 83 1.371 -19.536 -19.045 614 3HZ LYS 83 3HZ LYS 83 1.766 -18.008 -19.674 615 H GLU 84 H GLU 84 -0.334 -12.804 -15.872 616 HA GLU 84 HA GLU 84 1.561 -11.694 -17.723 617 1HB GLU 84 2HB GLU 84 -1.010 -10.765 -18.100 618 2HB GLU 84 1HB GLU 84 -0.311 -9.521 -17.063 619 1HG GLU 84 2HG GLU 84 1.318 -8.941 -18.622 620 2HG GLU 84 1HG GLU 84 1.270 -10.519 -19.410 621 HA PRO 85 HA PRO 85 2.764 -10.927 -13.435 622 1HB PRO 85 2HB PRO 85 5.429 -10.631 -14.018 623 2HB PRO 85 1HB PRO 85 4.650 -12.214 -13.820 624 1HG PRO 85 2HG PRO 85 5.313 -10.735 -16.326 625 2HG PRO 85 1HG PRO 85 5.496 -12.457 -15.954 626 1HD PRO 85 2HD PRO 85 3.445 -11.516 -17.435 627 2HD PRO 85 1HD PRO 85 3.269 -12.917 -16.353 628 H VAL 86 H VAL 86 3.818 -8.994 -12.415 629 HA VAL 86 HA VAL 86 3.529 -6.578 -14.164 630 HB VAL 86 HB VAL 86 3.155 -7.052 -11.193 631 1HG1 VAL 86 1HG1 VAL 86 3.726 -4.623 -12.672 632 2HG1 VAL 86 2HG1 VAL 86 3.556 -4.848 -10.931 633 3HG1 VAL 86 3HG1 VAL 86 2.132 -4.537 -11.924 634 1HG2 VAL 86 1HG2 VAL 86 0.895 -5.900 -12.476 635 2HG2 VAL 86 2HG2 VAL 86 1.037 -7.524 -11.800 636 3HG2 VAL 86 3HG2 VAL 86 1.436 -7.236 -13.494 637 HA PRO 87 HA PRO 87 7.879 -6.177 -13.162 638 1HB PRO 87 2HB PRO 87 8.432 -4.383 -15.144 639 2HB PRO 87 1HB PRO 87 8.271 -6.124 -15.444 640 1HG PRO 87 2HG PRO 87 6.430 -3.927 -16.102 641 2HG PRO 87 1HG PRO 87 6.604 -5.520 -16.848 642 1HD PRO 87 2HD PRO 87 4.615 -4.695 -15.002 643 2HD PRO 87 1HD PRO 87 4.890 -6.334 -15.630 644 H MET 88 H MET 88 9.211 -3.808 -13.289 645 HA MET 88 HA MET 88 7.596 -1.974 -11.539 646 1HB MET 88 2HB MET 88 10.491 -2.747 -11.769 647 2HB MET 88 1HB MET 88 10.034 -1.225 -11.006 648 1HG MET 88 2HG MET 88 8.440 -2.597 -9.554 649 2HG MET 88 1HG MET 88 9.277 -4.026 -10.163 650 1HE MET 88 1HE MET 88 8.941 -3.706 -7.466 651 2HE MET 88 2HE MET 88 9.287 -2.068 -6.925 652 3HE MET 88 3HE MET 88 10.370 -3.382 -6.476 653 H SER 89 H SER 89 8.106 -2.158 -14.637 654 HA SER 89 HA SER 89 9.484 0.407 -15.051 655 1HB SER 89 2HB SER 89 8.612 -1.926 -16.690 656 2HB SER 89 1HB SER 89 8.868 -0.393 -17.516 657 HG SER 89 HG SER 89 10.813 -1.446 -17.477 658 H LEU 90 H LEU 90 8.423 2.234 -15.058 659 HA LEU 90 HA LEU 90 5.519 2.324 -15.741 660 1HB LEU 90 2HB LEU 90 7.379 3.687 -13.958 661 2HB LEU 90 1HB LEU 90 6.455 4.839 -14.924 662 HG LEU 90 HG LEU 90 5.324 2.603 -13.245 663 1HD1 LEU 90 1HD1 LEU 90 5.541 5.589 -12.929 664 2HD1 LEU 90 2HD1 LEU 90 5.894 4.327 -11.748 665 3HD1 LEU 90 3HD1 LEU 90 4.222 4.711 -12.156 666 1HD2 LEU 90 1HD2 LEU 90 3.429 4.582 -14.200 667 2HD2 LEU 90 2HD2 LEU 90 3.385 2.829 -14.385 668 3HD2 LEU 90 3HD2 LEU 90 4.262 3.818 -15.554 669 HA PRO 91 HA PRO 91 7.780 3.910 -19.514 670 1HB PRO 91 2HB PRO 91 6.050 2.759 -21.314 671 2HB PRO 91 1HB PRO 91 7.485 1.928 -20.675 672 1HG PRO 91 2HG PRO 91 4.636 1.723 -19.794 673 2HG PRO 91 1HG PRO 91 5.828 0.435 -20.052 674 1HD PRO 91 2HD PRO 91 5.254 1.324 -17.590 675 2HD PRO 91 1HD PRO 91 6.909 0.849 -18.042 676 HA PRO 92 HA PRO 92 4.974 7.209 -20.026 677 1HB PRO 92 2HB PRO 92 5.338 7.910 -22.648 678 2HB PRO 92 1HB PRO 92 6.534 8.250 -21.380 679 1HG PRO 92 2HG PRO 92 6.490 6.078 -23.414 680 2HG PRO 92 1HG PRO 92 7.859 7.014 -22.794 681 1HD PRO 92 2HD PRO 92 7.287 4.472 -21.990 682 2HD PRO 92 1HD PRO 92 8.123 5.660 -20.965 683 H ALA 93 H ALA 93 4.511 4.306 -21.622 684 HA ALA 93 HA ALA 93 2.119 5.063 -23.145 685 1HB ALA 93 1HB ALA 93 2.024 2.496 -23.320 686 2HB ALA 93 2HB ALA 93 3.537 2.489 -22.413 687 3HB ALA 93 3HB ALA 93 3.459 3.270 -23.992 688 H LEU 94 H LEU 94 2.640 5.058 -19.954 689 HA LEU 94 HA LEU 94 0.007 3.774 -19.303 690 1HB LEU 94 2HB LEU 94 2.525 4.189 -17.649 691 2HB LEU 94 1HB LEU 94 1.043 3.437 -17.058 692 HG LEU 94 HG LEU 94 2.850 2.438 -19.263 693 1HD1 LEU 94 1HD1 LEU 94 1.986 1.326 -16.579 694 2HD1 LEU 94 2HD1 LEU 94 3.591 1.932 -16.994 695 3HD1 LEU 94 3HD1 LEU 94 2.980 0.461 -17.753 696 1HD2 LEU 94 1HD2 LEU 94 1.169 0.559 -19.381 697 2HD2 LEU 94 2HD2 LEU 94 0.570 2.110 -19.965 698 3HD2 LEU 94 3HD2 LEU 94 0.094 1.531 -18.370 699 H VAL 95 H VAL 95 1.992 6.643 -19.118 700 HA VAL 95 HA VAL 95 0.738 7.980 -16.925 701 HB VAL 95 HB VAL 95 1.695 10.011 -18.162 702 1HG1 VAL 95 1HG1 VAL 95 3.895 8.049 -18.118 703 2HG1 VAL 95 2HG1 VAL 95 2.896 8.050 -16.664 704 3HG1 VAL 95 3HG1 VAL 95 3.691 9.535 -17.188 705 1HG2 VAL 95 1HG2 VAL 95 2.727 9.758 -20.223 706 2HG2 VAL 95 2HG2 VAL 95 1.418 8.590 -20.397 707 3HG2 VAL 95 3HG2 VAL 95 3.039 8.041 -19.972 708 HA PRO 96 HA PRO 96 -3.166 8.994 -18.718 709 1HB PRO 96 2HB PRO 96 -3.834 11.027 -17.002 710 2HB PRO 96 1HB PRO 96 -3.927 9.312 -16.554 711 1HG PRO 96 2HG PRO 96 -1.811 11.319 -15.933 712 2HG PRO 96 1HG PRO 96 -2.502 10.053 -14.905 713 1HD PRO 96 2HD PRO 96 -0.096 9.798 -16.125 714 2HD PRO 96 1HD PRO 96 -1.160 8.410 -15.791 715 HA PRO 97 HA PRO 97 -2.616 12.524 -21.271 716 1HB PRO 97 2HB PRO 97 -4.964 13.926 -21.087 717 2HB PRO 97 1HB PRO 97 -4.815 12.391 -21.967 718 1HG PRO 97 2HG PRO 97 -5.867 12.901 -19.222 719 2HG PRO 97 1HG PRO 97 -6.486 11.822 -20.484 720 1HD PRO 97 2HD PRO 97 -5.044 10.915 -18.390 721 2HD PRO 97 1HD PRO 97 -4.970 10.157 -19.996 722 H SER 98 H SER 98 -3.463 13.124 -17.935 723 HA SER 98 HA SER 98 -3.084 15.982 -17.934 724 1HB SER 98 2HB SER 98 -4.057 14.199 -16.198 725 2HB SER 98 1HB SER 98 -2.410 14.265 -15.578 726 HG SER 98 HG SER 98 -3.688 16.673 -16.174 727 H LYS 99 H LYS 99 -0.895 13.241 -17.756 728 HA LYS 99 HA LYS 99 1.410 14.960 -17.059 729 1HB LYS 99 2HB LYS 99 1.059 12.003 -17.654 730 2HB LYS 99 1HB LYS 99 2.576 12.736 -17.132 731 1HG LYS 99 2HG LYS 99 0.250 13.424 -15.455 732 2HG LYS 99 1HG LYS 99 0.694 11.717 -15.424 733 1HD LYS 99 2HD LYS 99 2.663 13.982 -14.997 734 2HD LYS 99 1HD LYS 99 1.875 13.103 -13.686 735 1HE LYS 99 2HE LYS 99 2.994 11.086 -14.199 736 2HE LYS 99 1HE LYS 99 3.395 11.623 -15.841 737 1HZ LYS 99 1HZ LYS 99 5.207 12.657 -15.105 738 2HZ LYS 99 2HZ LYS 99 4.967 11.914 -13.597 739 3HZ LYS 99 3HZ LYS 99 4.345 13.467 -13.889 740 H ARG 100 H ARG 100 -0.278 14.719 -19.779 741 HA ARG 100 HA ARG 100 2.066 14.311 -21.595 742 1HB ARG 100 2HB ARG 100 -0.929 14.391 -22.079 743 2HB ARG 100 1HB ARG 100 0.288 14.023 -23.303 744 1HG ARG 100 2HG ARG 100 1.083 12.200 -21.613 745 2HG ARG 100 1HG ARG 100 -0.517 12.404 -20.901 746 1HD ARG 100 2HD ARG 100 -1.591 11.846 -23.017 747 2HD ARG 100 1HD ARG 100 -0.015 11.772 -23.829 748 HE ARG 100 HE ARG 100 -0.513 10.014 -21.473 749 1HH1 ARG 100 1HH2 ARG 100 1.352 10.488 -24.191 750 2HH1 ARG 100 2HH2 ARG 100 1.259 8.858 -24.771 751 1HH2 ARG 100 2HH1 ARG 100 -1.162 7.900 -22.482 752 2HH2 ARG 100 1HH1 ARG 100 -0.163 7.392 -23.802 753 H SER 107 1H SER 107 8.952 1.888 2.231 754 HA SER 107 HA SER 107 8.004 3.358 3.746 755 1HB SER 107 2HB SER 107 8.871 4.473 1.109 756 2HB SER 107 1HB SER 107 8.251 5.600 2.311 757 HG SER 107 HG SER 107 10.499 3.911 2.405 758 H THR 108 H THR 108 6.368 3.651 0.577 759 HA THR 108 HA THR 108 3.951 4.680 2.030 760 HB THR 108 HB THR 108 3.504 5.976 0.074 761 HG1 THR 108 HG1 THR 108 4.040 5.265 -1.813 762 1HG2 THR 108 1HG2 THR 108 5.316 6.931 1.365 763 2HG2 THR 108 2HG2 THR 108 5.686 7.147 -0.345 764 3HG2 THR 108 3HG2 THR 108 6.489 5.876 0.576 765 H ASN 109 H ASN 109 5.028 2.634 -0.698 766 HA ASN 109 HA ASN 109 2.671 1.557 -1.653 767 1HB ASN 109 2HB ASN 109 5.053 1.053 -2.296 768 2HB ASN 109 1HB ASN 109 5.162 -0.005 -0.886 769 1HD2 ASN 109 1HD2 ASN 109 3.327 0.467 -3.927 770 2HD2 ASN 109 2HD2 ASN 109 2.917 -1.166 -4.122 771 HA PRO 110 HA PRO 110 0.996 0.047 2.244 772 1HB PRO 110 2HB PRO 110 -1.492 -0.509 1.246 773 2HB PRO 110 1HB PRO 110 -0.970 1.125 1.705 774 1HG PRO 110 2HG PRO 110 -1.132 -0.122 -0.989 775 2HG PRO 110 1HG PRO 110 -1.524 1.527 -0.484 776 1HD PRO 110 2HD PRO 110 0.791 0.870 -1.755 777 2HD PRO 110 1HD PRO 110 0.651 2.231 -0.623 778 H PHE 111 H PHE 111 1.892 -1.660 -0.489 779 HA PHE 111 HA PHE 111 0.733 -4.233 0.518 780 1HB PHE 111 2HB PHE 111 2.241 -3.893 -2.062 781 2HB PHE 111 1HB PHE 111 0.953 -5.035 -1.688 782 HD1 PHE 111 HD1 PHE 111 1.688 -1.448 -2.317 783 HD2 PHE 111 HD2 PHE 111 -1.362 -4.474 -2.096 784 HE1 PHE 111 HE1 PHE 111 0.046 0.137 -3.261 785 HE2 PHE 111 HE2 PHE 111 -2.996 -2.876 -3.028 786 HZ PHE 111 HZ PHE 111 -2.294 -0.571 -3.610 787 H ARG 112 HN ARG 112 3.784 -3.081 -0.943 788 HA ARG 112 HA ARG 112 5.423 -5.204 -0.023 789 1HB ARG 112 2HB ARG 112 5.818 -2.341 -0.847 790 2HB ARG 112 1HB ARG 112 7.197 -3.279 -0.269 791 1HG ARG 112 2HG ARG 112 6.274 -5.086 -1.968 792 2HG ARG 112 1HG ARG 112 5.535 -3.678 -2.729 793 1HD ARG 112 2HD ARG 112 7.518 -3.116 -3.654 794 2HD ARG 112 1HD ARG 112 8.268 -3.057 -2.046 795 HE ARG 112 HE ARG 112 8.412 -5.623 -2.271 796 1HH1 ARG 112 1HH2 ARG 112 10.550 -4.206 -3.817 797 2HH1 ARG 112 2HH2 ARG 112 10.414 -4.937 -5.382 798 1HH2 ARG 112 1HH1 ARG 112 7.259 -6.252 -4.786 799 2HH2 ARG 112 2HH1 ARG 112 8.549 -6.095 -5.931 Start of MODEL 8 1 HA PRO 6 HA PRO 6 -1.521 6.738 -27.203 2 1HB PRO 6 2HB PRO 6 -2.961 4.414 -27.111 3 2HB PRO 6 1HB PRO 6 -2.725 5.345 -28.604 4 1HG PRO 6 2HG PRO 6 -1.355 2.874 -27.678 5 2HG PRO 6 1HG PRO 6 -1.847 3.351 -29.309 6 1HD PRO 6 2HD PRO 6 0.721 3.521 -28.368 7 2HD PRO 6 1HD PRO 6 0.071 4.528 -29.679 8 H TRP 7 H TRP 7 -3.080 5.614 -25.321 9 HA TRP 7 HA TRP 7 -1.240 5.249 -23.025 10 1HB TRP 7 2HB TRP 7 -3.114 6.897 -23.047 11 2HB TRP 7 1HB TRP 7 -4.255 5.561 -23.198 12 HD1 TRP 7 HD1 TRP 7 -1.335 4.743 -21.065 13 HE1 TRP 7 HE1 TRP 7 -2.005 4.765 -18.575 14 HE3 TRP 7 HE3 TRP 7 -5.933 6.926 -21.421 15 HZ2 TRP 7 HZ2 TRP 7 -4.213 5.603 -16.949 16 HZ3 TRP 7 HZ3 TRP 7 -7.299 7.326 -19.392 17 HH2 TRP 7 HH2 TRP 7 -6.445 6.668 -17.159 18 H ALA 8 H ALA 8 -0.859 3.235 -22.203 19 HA ALA 8 HA ALA 8 -1.688 0.799 -23.267 20 1HB ALA 8 1HB ALA 8 -1.243 1.332 -20.320 21 2HB ALA 8 2HB ALA 8 0.071 1.371 -21.496 22 3HB ALA 8 3HB ALA 8 -0.826 -0.122 -21.226 23 H VAL 9 H VAL 9 -3.434 2.927 -21.093 24 HA VAL 9 HA VAL 9 -5.522 0.879 -20.583 25 HB VAL 9 HB VAL 9 -4.926 3.680 -19.608 26 1HG1 VAL 9 1HG1 VAL 9 -7.384 3.377 -19.845 27 2HG1 VAL 9 2HG1 VAL 9 -6.893 3.485 -18.155 28 3HG1 VAL 9 3HG1 VAL 9 -7.280 1.917 -18.863 29 1HG2 VAL 9 1HG2 VAL 9 -4.901 2.344 -17.403 30 2HG2 VAL 9 2HG2 VAL 9 -3.565 2.059 -18.519 31 3HG2 VAL 9 3HG2 VAL 9 -4.890 0.900 -18.417 32 H LYS 10 H LYS 10 -7.693 1.182 -21.261 33 HA LYS 10 HA LYS 10 -8.022 2.996 -23.613 34 1HB LYS 10 2HB LYS 10 -9.734 0.677 -22.674 35 2HB LYS 10 1HB LYS 10 -9.685 1.381 -24.287 36 1HG LYS 10 2HG LYS 10 -7.023 0.653 -23.643 37 2HG LYS 10 1HG LYS 10 -8.047 -0.717 -23.205 38 1HD LYS 10 2HD LYS 10 -8.361 0.696 -25.854 39 2HD LYS 10 1HD LYS 10 -7.195 -0.611 -25.640 40 1HE LYS 10 2HE LYS 10 -9.842 -1.266 -24.546 41 2HE LYS 10 1HE LYS 10 -9.857 -0.978 -26.298 42 1HZ LYS 10 1HZ LYS 10 -9.187 -3.182 -26.137 43 2HZ LYS 10 2HZ LYS 10 -8.233 -2.905 -24.758 44 3HZ LYS 10 3HZ LYS 10 -7.712 -2.357 -26.279 45 HA PRO 11 HA PRO 11 -11.040 5.463 -21.574 46 1HB PRO 11 2HB PRO 11 -13.159 5.525 -23.317 47 2HB PRO 11 1HB PRO 11 -11.650 6.420 -23.589 48 1HG PRO 11 2HG PRO 11 -12.532 3.807 -24.724 49 2HG PRO 11 1HG PRO 11 -11.711 5.160 -25.519 50 1HD PRO 11 2HD PRO 11 -10.393 2.947 -24.741 51 2HD PRO 11 1HD PRO 11 -9.637 4.553 -24.712 52 H GLU 12 H GLU 12 -12.251 2.405 -22.881 53 HA GLU 12 HA GLU 12 -14.580 2.276 -21.140 54 1HB GLU 12 2HB GLU 12 -14.673 -0.038 -22.030 55 2HB GLU 12 1HB GLU 12 -14.399 1.132 -23.320 56 1HG GLU 12 2HG GLU 12 -11.887 0.249 -22.154 57 2HG GLU 12 1HG GLU 12 -12.828 -1.116 -22.753 58 H ASP 13 H ASP 13 -11.201 1.382 -20.865 59 HA ASP 13 HA ASP 13 -11.595 -0.364 -18.537 60 1HB ASP 13 2HB ASP 13 -9.507 0.439 -20.399 61 2HB ASP 13 1HB ASP 13 -8.916 0.490 -18.738 62 H LYS 14 H LYS 14 -10.513 2.940 -19.219 63 HA LYS 14 HA LYS 14 -9.915 3.640 -16.484 64 1HB LYS 14 2HB LYS 14 -9.487 4.720 -18.943 65 2HB LYS 14 1HB LYS 14 -10.847 5.704 -18.404 66 1HG LYS 14 2HG LYS 14 -8.596 5.234 -16.489 67 2HG LYS 14 1HG LYS 14 -8.351 6.390 -17.800 68 1HD LYS 14 2HD LYS 14 -10.779 7.204 -16.987 69 2HD LYS 14 1HD LYS 14 -10.191 6.539 -15.463 70 1HE LYS 14 2HE LYS 14 -8.523 8.128 -15.256 71 2HE LYS 14 1HE LYS 14 -8.334 8.305 -17.012 72 1HZ LYS 14 1HZ LYS 14 -10.759 9.134 -15.513 73 2HZ LYS 14 2HZ LYS 14 -10.418 9.426 -17.151 74 3HZ LYS 14 3HZ LYS 14 -9.509 10.199 -15.942 75 H ALA 15 H ALA 15 -12.812 3.095 -18.197 76 HA ALA 15 HA ALA 15 -14.521 4.924 -16.660 77 1HB ALA 15 1HB ALA 15 -15.882 4.437 -18.407 78 2HB ALA 15 2HB ALA 15 -15.877 2.727 -17.971 79 3HB ALA 15 3HB ALA 15 -14.625 3.370 -19.033 80 H LYS 16 H LYS 16 -13.491 1.573 -16.599 81 HA LYS 16 HA LYS 16 -15.316 0.829 -14.396 82 1HB LYS 16 2HB LYS 16 -12.936 -0.811 -15.182 83 2HB LYS 16 1HB LYS 16 -14.595 -1.331 -14.878 84 1HG LYS 16 2HG LYS 16 -15.125 0.037 -17.045 85 2HG LYS 16 1HG LYS 16 -13.403 -0.154 -17.362 86 1HD LYS 16 2HD LYS 16 -15.181 -2.503 -16.669 87 2HD LYS 16 1HD LYS 16 -14.928 -1.975 -18.333 88 1HE LYS 16 2HE LYS 16 -12.672 -2.588 -18.325 89 2HE LYS 16 1HE LYS 16 -12.542 -2.462 -16.560 90 1HZ LYS 16 1HZ LYS 16 -12.741 -4.793 -17.533 91 2HZ LYS 16 2HZ LYS 16 -14.363 -4.403 -17.853 92 3HZ LYS 16 3HZ LYS 16 -13.786 -4.401 -16.255 93 H TYR 17 H TYR 17 -11.946 1.607 -15.022 94 HA TYR 17 HA TYR 17 -10.909 1.151 -12.381 95 1HB TYR 17 2HB TYR 17 -10.134 3.109 -14.576 96 2HB TYR 17 1HB TYR 17 -9.115 2.670 -13.211 97 HD1 TYR 17 HD1 TYR 17 -10.965 -0.197 -14.069 98 HD2 TYR 17 HD2 TYR 17 -7.656 2.191 -15.411 99 HE1 TYR 17 HE1 TYR 17 -10.093 -2.126 -15.358 100 HE2 TYR 17 HE2 TYR 17 -6.772 0.259 -16.692 101 HH TYR 17 HH TYR 17 -8.214 -2.940 -16.404 102 H ASP 18 H ASP 18 -12.841 3.605 -13.892 103 HA ASP 18 HA ASP 18 -12.370 5.620 -11.779 104 1HB ASP 18 2HB ASP 18 -12.714 6.451 -13.982 105 2HB ASP 18 1HB ASP 18 -14.081 5.371 -14.261 106 H ALA 19 H ALA 19 -14.623 3.033 -12.484 107 HA ALA 19 HA ALA 19 -16.691 4.024 -10.640 108 1HB ALA 19 1HB ALA 19 -16.445 2.143 -12.724 109 2HB ALA 19 2HB ALA 19 -17.884 2.447 -11.751 110 3HB ALA 19 3HB ALA 19 -16.746 1.186 -11.274 111 H ILE 20 H ILE 20 -13.963 1.813 -10.640 112 HA ILE 20 HA ILE 20 -14.483 0.735 -7.980 113 HB ILE 20 HB ILE 20 -12.172 0.724 -9.947 114 1HG1 ILE 20 2HG1 ILE 20 -13.767 -1.683 -9.154 115 2HG1 ILE 20 1HG1 ILE 20 -14.499 -0.523 -10.263 116 1HG2 ILE 20 1HG2 ILE 20 -11.243 -1.096 -8.541 117 2HG2 ILE 20 2HG2 ILE 20 -12.504 -0.787 -7.348 118 3HG2 ILE 20 3HG2 ILE 20 -11.295 0.449 -7.694 119 1HD1 ILE 20 1HD1 ILE 20 -12.402 -0.679 -11.670 120 2HD1 ILE 20 2HD1 ILE 20 -13.350 -2.166 -11.605 121 3HD1 ILE 20 3HD1 ILE 20 -11.885 -2.008 -10.634 122 H PHE 21 H PHE 21 -12.626 3.305 -9.491 123 HA PHE 21 HA PHE 21 -11.054 4.005 -7.165 124 1HB PHE 21 2HB PHE 21 -10.091 4.781 -9.113 125 2HB PHE 21 1HB PHE 21 -11.650 5.008 -9.899 126 HD1 PHE 21 HD1 PHE 21 -8.983 6.595 -8.031 127 HD2 PHE 21 HD2 PHE 21 -13.077 6.992 -9.270 128 HE1 PHE 21 HE1 PHE 21 -8.898 9.024 -7.538 129 HE2 PHE 21 HE2 PHE 21 -12.993 9.419 -8.776 130 HZ PHE 21 HZ PHE 21 -10.906 10.435 -7.909 131 H ASP 22 H ASP 22 -14.073 5.122 -8.613 132 HA ASP 22 HA ASP 22 -14.533 7.149 -6.532 133 1HB ASP 22 2HB ASP 22 -15.195 7.639 -8.787 134 2HB ASP 22 1HB ASP 22 -16.041 6.097 -8.940 135 H SER 23 H SER 23 -14.781 3.845 -6.589 136 HA SER 23 HA SER 23 -17.366 3.660 -5.141 137 1HB SER 23 2HB SER 23 -17.200 1.815 -6.504 138 2HB SER 23 1HB SER 23 -15.441 1.880 -6.538 139 HG SER 23 HG SER 23 -16.887 1.154 -4.219 140 H LEU 24 H LEU 24 -14.166 4.339 -4.460 141 HA LEU 24 HA LEU 24 -14.251 3.121 -1.728 142 1HB LEU 24 2HB LEU 24 -11.847 4.516 -2.796 143 2HB LEU 24 1HB LEU 24 -11.947 3.016 -1.882 144 HG LEU 24 HG LEU 24 -12.636 3.370 -4.808 145 1HD1 LEU 24 1HD1 LEU 24 -10.529 2.611 -5.297 146 2HD1 LEU 24 2HD1 LEU 24 -10.514 1.507 -3.922 147 3HD1 LEU 24 3HD1 LEU 24 -10.146 3.211 -3.683 148 1HD2 LEU 24 1HD2 LEU 24 -12.775 1.030 -2.905 149 2HD2 LEU 24 2HD2 LEU 24 -12.623 0.792 -4.645 150 3HD2 LEU 24 3HD2 LEU 24 -14.027 1.631 -3.989 151 H SER 25 H SER 25 -14.801 5.971 -3.422 152 HA SER 25 HA SER 25 -15.437 8.105 -2.566 153 1HB SER 25 2HB SER 25 -15.659 8.351 -0.277 154 2HB SER 25 1HB SER 25 -15.535 6.597 -0.344 155 HG SER 25 HG SER 25 -13.430 6.724 0.257 156 HA PRO 26 HA PRO 26 -11.140 9.118 -3.620 157 1HB PRO 26 2HB PRO 26 -11.818 11.016 -5.463 158 2HB PRO 26 1HB PRO 26 -11.764 9.283 -5.839 159 1HG PRO 26 2HG PRO 26 -14.103 11.020 -5.249 160 2HG PRO 26 1HG PRO 26 -13.942 9.700 -6.418 161 1HD PRO 26 2HD PRO 26 -15.199 9.445 -4.005 162 2HD PRO 26 1HD PRO 26 -14.426 8.093 -4.862 163 H VAL 27 H VAL 27 -9.924 10.938 -3.026 164 HA VAL 27 HA VAL 27 -11.409 13.104 -1.577 165 HB VAL 27 HB VAL 27 -8.650 11.916 -1.111 166 1HG1 VAL 27 1HG1 VAL 27 -9.455 14.411 -0.434 167 2HG1 VAL 27 2HG1 VAL 27 -8.342 13.460 0.550 168 3HG1 VAL 27 3HG1 VAL 27 -10.057 13.513 0.960 169 1HG2 VAL 27 1HG2 VAL 27 -10.663 11.620 0.993 170 2HG2 VAL 27 2HG2 VAL 27 -9.611 10.400 0.273 171 3HG2 VAL 27 3HG2 VAL 27 -11.138 10.820 -0.505 172 H ASN 28 H ASN 28 -11.414 14.733 -3.147 173 HA ASN 28 HA ASN 28 -10.491 16.455 -4.482 174 1HB ASN 28 2HB ASN 28 -8.881 16.390 -2.470 175 2HB ASN 28 1HB ASN 28 -7.807 15.454 -3.510 176 1HD2 ASN 28 1HD2 ASN 28 -7.523 16.562 -5.815 177 2HD2 ASN 28 2HD2 ASN 28 -7.275 18.243 -5.783 178 H GLY 29 H GLY 29 -10.458 13.332 -5.086 179 1HA GLY 29 2HA GLY 29 -10.338 12.446 -7.343 180 2HA GLY 29 1HA GLY 29 -9.116 13.662 -7.719 181 H PHE 30 H PHE 30 -9.054 11.713 -4.787 182 HA PHE 30 HA PHE 30 -6.837 10.071 -5.927 183 1HB PHE 30 2HB PHE 30 -6.780 11.866 -3.494 184 2HB PHE 30 1HB PHE 30 -5.551 10.635 -3.811 185 HD1 PHE 30 HD1 PHE 30 -6.814 13.925 -4.683 186 HD2 PHE 30 HD2 PHE 30 -4.194 10.755 -5.912 187 HE1 PHE 30 HE1 PHE 30 -5.663 15.481 -6.222 188 HE2 PHE 30 HE2 PHE 30 -3.030 12.316 -7.456 189 HZ PHE 30 HZ PHE 30 -3.766 14.682 -7.610 190 H LEU 31 H LEU 31 -6.412 8.157 -4.771 191 HA LEU 31 HA LEU 31 -8.469 7.396 -2.722 192 1HB LEU 31 2HB LEU 31 -7.178 5.888 -5.003 193 2HB LEU 31 1HB LEU 31 -7.909 5.034 -3.645 194 HG LEU 31 HG LEU 31 -9.257 6.886 -5.605 195 1HD1 LEU 31 1HD1 LEU 31 -9.115 3.997 -5.007 196 2HD1 LEU 31 2HD1 LEU 31 -9.478 4.811 -6.532 197 3HD1 LEU 31 3HD1 LEU 31 -10.741 4.613 -5.313 198 1HD2 LEU 31 1HD2 LEU 31 -10.174 5.862 -2.908 199 2HD2 LEU 31 2HD2 LEU 31 -11.315 6.351 -4.162 200 3HD2 LEU 31 3HD2 LEU 31 -10.182 7.527 -3.493 201 H SER 32 H SER 32 -7.589 6.595 -0.829 202 HA SER 32 HA SER 32 -4.698 6.843 -0.492 203 1HB SER 32 2HB SER 32 -5.360 6.128 1.866 204 2HB SER 32 1HB SER 32 -6.150 7.587 1.272 205 HG SER 32 HG SER 32 -7.318 5.463 2.181 206 H GLY 33 H GLY 33 -3.232 5.166 -0.229 207 1HA GLY 33 2HA GLY 33 -3.492 2.735 -1.518 208 2HA GLY 33 1HA GLY 33 -2.473 2.918 -0.087 209 H ASP 34 H ASP 34 -4.859 3.652 1.559 210 HA ASP 34 HA ASP 34 -5.529 1.048 2.557 211 1HB ASP 34 2HB ASP 34 -5.573 2.902 4.036 212 2HB ASP 34 1HB ASP 34 -6.560 3.860 2.931 213 H LYS 35 H LYS 35 -7.034 3.139 0.140 214 HA LYS 35 HA LYS 35 -9.486 1.478 0.077 215 1HB LYS 35 2HB LYS 35 -8.515 3.921 -1.449 216 2HB LYS 35 1HB LYS 35 -10.115 3.203 -1.638 217 1HG LYS 35 2HG LYS 35 -10.626 3.634 0.712 218 2HG LYS 35 1HG LYS 35 -8.996 4.258 0.976 219 1HD LYS 35 2HD LYS 35 -9.389 6.132 -0.481 220 2HD LYS 35 1HD LYS 35 -10.918 5.451 -1.036 221 1HE LYS 35 2HE LYS 35 -11.603 7.042 0.576 222 2HE LYS 35 1HE LYS 35 -11.575 5.534 1.511 223 1HZ LYS 35 1HZ LYS 35 -9.035 6.231 1.696 224 2HZ LYS 35 2HZ LYS 35 -10.200 6.746 2.820 225 3HZ LYS 35 3HZ LYS 35 -9.712 7.779 1.562 226 H VAL 36 H VAL 36 -6.543 2.184 -1.715 227 HA VAL 36 HA VAL 36 -7.289 0.531 -4.030 228 HB VAL 36 HB VAL 36 -4.684 1.772 -3.098 229 1HG1 VAL 36 1HG1 VAL 36 -4.675 -0.138 -4.850 230 2HG1 VAL 36 2HG1 VAL 36 -3.824 1.356 -5.247 231 3HG1 VAL 36 3HG1 VAL 36 -5.422 1.044 -5.926 232 1HG2 VAL 36 1HG2 VAL 36 -5.317 3.723 -4.152 233 2HG2 VAL 36 2HG2 VAL 36 -6.912 3.144 -3.669 234 3HG2 VAL 36 3HG2 VAL 36 -6.341 2.884 -5.318 235 H LYS 37 H LYS 37 -5.003 0.266 -1.286 236 HA LYS 37 HA LYS 37 -3.694 -2.096 -1.835 237 1HB LYS 37 2HB LYS 37 -3.240 -0.853 0.158 238 2HB LYS 37 1HB LYS 37 -4.894 -1.046 0.734 239 1HG LYS 37 2HG LYS 37 -4.507 -3.146 1.534 240 2HG LYS 37 1HG LYS 37 -3.478 -3.577 0.167 241 1HD LYS 37 2HD LYS 37 -1.581 -2.968 1.248 242 2HD LYS 37 1HD LYS 37 -2.323 -1.514 1.919 243 1HE LYS 37 2HE LYS 37 -2.749 -2.550 3.896 244 2HE LYS 37 1HE LYS 37 -3.443 -3.963 3.078 245 1HZ LYS 37 1HZ LYS 37 -1.316 -4.423 4.268 246 2HZ LYS 37 2HZ LYS 37 -0.533 -3.382 3.179 247 3HZ LYS 37 3HZ LYS 37 -1.280 -4.801 2.616 248 HA PRO 38 HA PRO 38 -7.364 -4.723 -0.152 249 1HB PRO 38 2HB PRO 38 -9.811 -3.475 -0.089 250 2HB PRO 38 1HB PRO 38 -8.720 -3.547 1.311 251 1HG PRO 38 2HG PRO 38 -9.137 -1.339 -0.652 252 2HG PRO 38 1HG PRO 38 -8.961 -1.261 1.111 253 1HD PRO 38 2HD PRO 38 -6.931 -0.663 -0.537 254 2HD PRO 38 1HD PRO 38 -6.662 -1.467 1.026 255 H VAL 39 H VAL 39 -7.998 -2.176 -2.509 256 HA VAL 39 HA VAL 39 -9.732 -3.656 -4.260 257 HB VAL 39 HB VAL 39 -7.994 -1.225 -4.292 258 1HG1 VAL 39 1HG1 VAL 39 -7.330 -1.725 -6.434 259 2HG1 VAL 39 2HG1 VAL 39 -8.916 -1.052 -6.808 260 3HG1 VAL 39 3HG1 VAL 39 -8.698 -2.800 -6.723 261 1HG2 VAL 39 1HG2 VAL 39 -10.700 -1.337 -5.512 262 2HG2 VAL 39 2HG2 VAL 39 -10.000 -0.143 -4.422 263 3HG2 VAL 39 3HG2 VAL 39 -10.606 -1.668 -3.781 264 H LEU 40 H LEU 40 -6.215 -3.302 -3.993 265 HA LEU 40 HA LEU 40 -5.663 -4.986 -6.330 266 1HB LEU 40 2HB LEU 40 -3.907 -3.963 -4.075 267 2HB LEU 40 1HB LEU 40 -3.354 -4.538 -5.648 268 HG LEU 40 HG LEU 40 -5.228 -2.194 -5.263 269 1HD1 LEU 40 1HD1 LEU 40 -2.252 -2.412 -5.387 270 2HD1 LEU 40 2HD1 LEU 40 -3.268 -1.285 -4.492 271 3HD1 LEU 40 3HD1 LEU 40 -3.017 -1.057 -6.220 272 1HD2 LEU 40 1HD2 LEU 40 -5.357 -3.477 -7.404 273 2HD2 LEU 40 2HD2 LEU 40 -3.647 -3.127 -7.666 274 3HD2 LEU 40 3HD2 LEU 40 -4.819 -1.810 -7.618 275 H LEU 41 H LEU 41 -5.914 -5.302 -2.844 276 HA LEU 41 HA LEU 41 -4.689 -7.920 -2.655 277 1HB LEU 41 2HB LEU 41 -6.459 -6.178 -0.935 278 2HB LEU 41 1HB LEU 41 -5.979 -7.794 -0.415 279 HG LEU 41 HG LEU 41 -3.969 -5.728 -1.320 280 1HD1 LEU 41 1HD1 LEU 41 -5.258 -4.878 0.633 281 2HD1 LEU 41 2HD1 LEU 41 -3.583 -5.235 1.051 282 3HD1 LEU 41 3HD1 LEU 41 -4.864 -6.355 1.510 283 1HD2 LEU 41 1HD2 LEU 41 -3.841 -8.480 -0.759 284 2HD2 LEU 41 2HD2 LEU 41 -3.159 -7.688 0.663 285 3HD2 LEU 41 3HD2 LEU 41 -2.476 -7.376 -0.934 286 H ASN 42 H ASN 42 -7.695 -6.724 -3.776 287 HA ASN 42 HA ASN 42 -9.205 -9.173 -3.167 288 1HB ASN 42 2HB ASN 42 -9.675 -6.424 -4.090 289 2HB ASN 42 1HB ASN 42 -10.691 -7.611 -4.906 290 1HD2 ASN 42 1HD2 ASN 42 -9.806 -6.366 -1.673 291 2HD2 ASN 42 2HD2 ASN 42 -11.203 -6.936 -0.895 292 H SER 43 H SER 43 -7.048 -8.127 -5.559 293 HA SER 43 HA SER 43 -8.271 -9.462 -7.859 294 1HB SER 43 2HB SER 43 -6.478 -8.515 -8.996 295 2HB SER 43 1HB SER 43 -6.561 -7.449 -7.596 296 HG SER 43 HG SER 43 -4.636 -8.113 -7.119 297 H LYS 44 H LYS 44 -7.147 -10.793 -5.127 298 HA LYS 44 HA LYS 44 -6.413 -12.983 -4.622 299 1HB LYS 44 2HB LYS 44 -7.712 -13.077 -7.069 300 2HB LYS 44 1HB LYS 44 -6.150 -13.817 -7.425 301 1HG LYS 44 2HG LYS 44 -6.630 -15.665 -6.214 302 2HG LYS 44 1HG LYS 44 -7.274 -14.714 -4.874 303 1HD LYS 44 2HD LYS 44 -9.191 -15.812 -5.609 304 2HD LYS 44 1HD LYS 44 -9.289 -14.303 -6.518 305 1HE LYS 44 2HE LYS 44 -8.226 -15.400 -8.468 306 2HE LYS 44 1HE LYS 44 -8.140 -16.921 -7.558 307 1HZ LYS 44 1HZ LYS 44 -10.255 -17.314 -8.051 308 2HZ LYS 44 2HZ LYS 44 -10.337 -15.875 -8.949 309 3HZ LYS 44 3HZ LYS 44 -10.729 -15.870 -7.297 310 H LEU 45 H LEU 45 -4.649 -10.632 -5.864 311 HA LEU 45 HA LEU 45 -2.252 -12.235 -6.610 312 1HB LEU 45 2HB LEU 45 -3.176 -9.384 -6.818 313 2HB LEU 45 1HB LEU 45 -1.452 -9.735 -6.915 314 HG LEU 45 HG LEU 45 -3.574 -11.037 -8.644 315 1HD1 LEU 45 1HD1 LEU 45 -3.124 -9.477 -10.289 316 2HD1 LEU 45 2HD1 LEU 45 -1.486 -9.187 -9.712 317 3HD1 LEU 45 3HD1 LEU 45 -2.857 -8.466 -8.870 318 1HD2 LEU 45 1HD2 LEU 45 -1.080 -11.981 -7.973 319 2HD2 LEU 45 2HD2 LEU 45 -0.723 -11.043 -9.423 320 3HD2 LEU 45 3HD2 LEU 45 -1.907 -12.348 -9.489 321 HA PRO 46 HA PRO 46 -0.477 -11.609 -2.651 322 1HB PRO 46 2HB PRO 46 2.173 -11.777 -3.305 323 2HB PRO 46 1HB PRO 46 1.100 -13.187 -3.261 324 1HG PRO 46 2HG PRO 46 2.108 -11.653 -5.583 325 2HG PRO 46 1HG PRO 46 1.779 -13.383 -5.425 326 1HD PRO 46 2HD PRO 46 0.117 -11.585 -6.679 327 2HD PRO 46 1HD PRO 46 -0.402 -13.148 -6.020 328 H VAL 47 H VAL 47 1.230 -10.062 -1.595 329 HA VAL 47 HA VAL 47 0.677 -7.360 -2.423 330 HB VAL 47 HB VAL 47 1.967 -8.872 -0.276 331 1HG1 VAL 47 1HG1 VAL 47 3.136 -6.178 -1.014 332 2HG1 VAL 47 2HG1 VAL 47 3.994 -7.717 -0.990 333 3HG1 VAL 47 3HG1 VAL 47 3.411 -7.013 0.517 334 1HG2 VAL 47 1HG2 VAL 47 0.033 -7.833 0.393 335 2HG2 VAL 47 2HG2 VAL 47 0.291 -6.439 -0.657 336 3HG2 VAL 47 3HG2 VAL 47 1.188 -6.583 0.855 337 H ASP 48 H ASP 48 2.827 -9.664 -3.622 338 HA ASP 48 HA ASP 48 5.075 -7.910 -4.186 339 1HB ASP 48 2HB ASP 48 5.107 -10.431 -3.909 340 2HB ASP 48 1HB ASP 48 4.281 -10.546 -5.462 341 H ILE 49 H ILE 49 2.115 -8.912 -5.780 342 HA ILE 49 HA ILE 49 2.853 -7.643 -8.329 343 HB ILE 49 HB ILE 49 0.108 -8.555 -7.473 344 1HG1 ILE 49 2HG1 ILE 49 1.578 -10.362 -6.790 345 2HG1 ILE 49 1HG1 ILE 49 0.773 -10.836 -8.285 346 1HG2 ILE 49 1HG2 ILE 49 1.583 -8.022 -9.986 347 2HG2 ILE 49 2HG2 ILE 49 -0.130 -7.822 -9.620 348 3HG2 ILE 49 3HG2 ILE 49 0.509 -9.421 -10.007 349 1HD1 ILE 49 1HD1 ILE 49 2.761 -10.101 -9.570 350 2HD1 ILE 49 2HD1 ILE 49 3.156 -11.373 -8.413 351 3HD1 ILE 49 3HD1 ILE 49 3.571 -9.695 -8.055 352 H LEU 50 H LEU 50 0.707 -7.105 -5.584 353 HA LEU 50 HA LEU 50 -0.404 -4.605 -6.567 354 1HB LEU 50 2HB LEU 50 -0.189 -5.567 -3.711 355 2HB LEU 50 1HB LEU 50 -1.460 -4.580 -4.429 356 HG LEU 50 HG LEU 50 -0.901 -7.505 -4.991 357 1HD1 LEU 50 1HD1 LEU 50 -2.099 -7.209 -2.936 358 2HD1 LEU 50 2HD1 LEU 50 -3.268 -7.711 -4.158 359 3HD1 LEU 50 3HD1 LEU 50 -3.176 -6.018 -3.670 360 1HD2 LEU 50 1HD2 LEU 50 -1.929 -7.238 -6.976 361 2HD2 LEU 50 2HD2 LEU 50 -2.040 -5.502 -6.683 362 3HD2 LEU 50 3HD2 LEU 50 -3.338 -6.570 -6.152 363 H GLY 51 H GLY 51 2.378 -5.625 -4.689 364 1HA GLY 51 2HA GLY 51 3.053 -3.010 -3.645 365 2HA GLY 51 1HA GLY 51 4.165 -4.379 -3.776 366 H ARG 52 H ARG 52 3.357 -4.636 -6.648 367 HA ARG 52 HA ARG 52 5.223 -2.591 -7.733 368 1HB ARG 52 2HB ARG 52 4.838 -5.374 -8.031 369 2HB ARG 52 1HB ARG 52 4.335 -4.650 -9.557 370 1HG ARG 52 2HG ARG 52 6.500 -3.343 -9.543 371 2HG ARG 52 1HG ARG 52 7.006 -4.330 -8.170 372 1HD ARG 52 2HD ARG 52 5.952 -5.882 -10.452 373 2HD ARG 52 1HD ARG 52 7.468 -5.022 -10.779 374 HE ARG 52 HE ARG 52 7.690 -6.209 -8.209 375 1HH1 ARG 52 1HH2 ARG 52 8.644 -6.589 -11.377 376 2HH1 ARG 52 2HH2 ARG 52 8.954 -8.290 -11.279 377 1HH2 ARG 52 2HH1 ARG 52 7.546 -8.637 -8.131 378 2HH2 ARG 52 1HH1 ARG 52 8.333 -9.449 -9.443 379 H VAL 53 H VAL 53 1.953 -3.965 -8.155 380 HA VAL 53 HA VAL 53 1.267 -2.429 -10.482 381 HB VAL 53 HB VAL 53 -0.253 -3.783 -8.252 382 1HG1 VAL 53 1HG1 VAL 53 -2.084 -2.570 -8.765 383 2HG1 VAL 53 2HG1 VAL 53 -2.026 -3.273 -10.382 384 3HG1 VAL 53 3HG1 VAL 53 -1.226 -1.734 -10.058 385 1HG2 VAL 53 1HG2 VAL 53 -0.370 -5.543 -9.713 386 2HG2 VAL 53 2HG2 VAL 53 1.033 -4.765 -10.446 387 3HG2 VAL 53 3HG2 VAL 53 -0.578 -4.493 -11.119 388 H TRP 54 H TRP 54 0.955 -1.754 -6.989 389 HA TRP 54 HA TRP 54 -0.458 0.741 -7.312 390 1HB TRP 54 2HB TRP 54 -0.520 -0.208 -5.150 391 2HB TRP 54 1HB TRP 54 1.210 -0.564 -5.159 392 HD1 TRP 54 HD1 TRP 54 2.883 1.590 -5.015 393 HE1 TRP 54 HE1 TRP 54 2.576 3.848 -3.836 394 HE3 TRP 54 HE3 TRP 54 -2.182 1.556 -4.348 395 HZ2 TRP 54 HZ2 TRP 54 0.467 5.435 -2.723 396 HZ3 TRP 54 HZ3 TRP 54 -3.309 3.461 -3.220 397 HH2 TRP 54 HH2 TRP 54 -1.995 5.386 -2.413 398 H GLU 55 H GLU 55 3.020 0.015 -6.721 399 HA GLU 55 HA GLU 55 3.982 2.658 -6.793 400 1HB GLU 55 2HB GLU 55 5.215 0.092 -7.837 401 2HB GLU 55 1HB GLU 55 6.111 1.564 -7.447 402 1HG GLU 55 2HG GLU 55 5.270 1.436 -5.120 403 2HG GLU 55 1HG GLU 55 4.448 -0.071 -5.518 404 H LEU 56 H LEU 56 3.847 0.390 -9.556 405 HA LEU 56 HA LEU 56 4.508 2.331 -11.552 406 1HB LEU 56 2HB LEU 56 2.796 -0.177 -11.713 407 2HB LEU 56 1HB LEU 56 3.590 0.614 -13.074 408 HG LEU 56 HG LEU 56 5.337 -0.094 -10.773 409 1HD1 LEU 56 1HD1 LEU 56 3.612 -2.029 -11.340 410 2HD1 LEU 56 2HD1 LEU 56 5.318 -2.396 -11.081 411 3HD1 LEU 56 3HD1 LEU 56 4.677 -2.269 -12.721 412 1HD2 LEU 56 1HD2 LEU 56 5.516 0.504 -13.591 413 2HD2 LEU 56 2HD2 LEU 56 6.298 -1.039 -13.269 414 3HD2 LEU 56 3HD2 LEU 56 6.820 0.411 -12.411 415 H SER 57 H SER 57 1.692 1.860 -9.650 416 HA SER 57 HA SER 57 -0.140 3.241 -11.537 417 1HB SER 57 2HB SER 57 -0.353 1.855 -8.867 418 2HB SER 57 1HB SER 57 -1.692 2.801 -9.511 419 HG SER 57 HG SER 57 -0.622 0.381 -10.353 420 H ASP 58 H ASP 58 1.576 3.743 -8.484 421 HA ASP 58 HA ASP 58 0.336 6.228 -7.725 422 1HB ASP 58 2HB ASP 58 2.203 4.389 -6.744 423 2HB ASP 58 1HB ASP 58 3.117 5.887 -6.928 424 H ILE 59 H ILE 59 0.476 7.018 -10.147 425 HA ILE 59 HA ILE 59 2.823 7.802 -11.453 426 HB ILE 59 HB ILE 59 0.161 9.233 -11.170 427 1HG1 ILE 59 2HG1 ILE 59 -0.116 6.947 -11.950 428 2HG1 ILE 59 1HG1 ILE 59 -0.321 8.032 -13.325 429 1HG2 ILE 59 1HG2 ILE 59 2.534 10.080 -12.455 430 2HG2 ILE 59 2HG2 ILE 59 0.922 10.780 -12.613 431 3HG2 ILE 59 3HG2 ILE 59 1.451 9.524 -13.733 432 1HD1 ILE 59 1HD1 ILE 59 2.074 7.657 -13.928 433 2HD1 ILE 59 2HD1 ILE 59 1.117 6.177 -13.986 434 3HD1 ILE 59 3HD1 ILE 59 2.187 6.482 -12.618 435 H ASP 60 H ASP 60 1.265 9.277 -8.653 436 HA ASP 60 HA ASP 60 3.307 11.459 -8.667 437 1HB ASP 60 2HB ASP 60 1.403 12.648 -8.349 438 2HB ASP 60 1HB ASP 60 0.471 11.185 -8.055 439 H HIS 61 H HIS 61 2.423 8.533 -7.110 440 HA HIS 61 HA HIS 61 3.339 7.401 -5.255 441 1HB HIS 61 2HB HIS 61 5.448 9.468 -5.916 442 2HB HIS 61 1HB HIS 61 5.703 8.179 -4.742 443 HD1 HIS 61 HD1 HIS 61 5.424 5.672 -5.702 444 HD2 HIS 61 HD2 HIS 61 5.790 8.680 -8.566 445 HE1 HIS 61 HE1 HIS 61 6.018 4.520 -7.878 446 H ASP 62 H ASP 62 1.410 9.357 -4.512 447 HA ASP 62 HA ASP 62 2.653 10.656 -2.114 448 1HB ASP 62 2HB ASP 62 0.843 12.208 -2.246 449 2HB ASP 62 1HB ASP 62 1.339 11.943 -3.916 450 H GLY 63 H GLY 63 1.880 7.766 -2.410 451 1HA GLY 63 2HA GLY 63 0.891 6.140 -1.036 452 2HA GLY 63 1HA GLY 63 0.577 7.427 0.133 453 H MET 64 H MET 64 -0.549 7.729 -3.143 454 HA MET 64 HA MET 64 -3.282 6.821 -2.444 455 1HB MET 64 2HB MET 64 -2.518 9.660 -3.188 456 2HB MET 64 1HB MET 64 -4.173 9.065 -3.119 457 1HG MET 64 2HG MET 64 -3.978 8.607 -0.762 458 2HG MET 64 1HG MET 64 -2.260 9.002 -0.781 459 1HE MET 64 1HE MET 64 -5.427 11.559 0.526 460 2HE MET 64 2HE MET 64 -5.134 9.821 0.531 461 3HE MET 64 3HE MET 64 -5.979 10.562 -0.825 462 H LEU 65 H LEU 65 -4.685 6.798 -4.399 463 HA LEU 65 HA LEU 65 -3.094 6.787 -6.943 464 1HB LEU 65 2HB LEU 65 -5.026 4.882 -5.688 465 2HB LEU 65 1HB LEU 65 -5.067 5.032 -7.444 466 HG LEU 65 HG LEU 65 -2.709 4.237 -5.720 467 1HD1 LEU 65 1HD1 LEU 65 -4.629 2.642 -6.623 468 2HD1 LEU 65 2HD1 LEU 65 -2.940 2.135 -6.673 469 3HD1 LEU 65 3HD1 LEU 65 -3.715 2.763 -8.126 470 1HD2 LEU 65 1HD2 LEU 65 -2.859 5.163 -8.585 471 2HD2 LEU 65 2HD2 LEU 65 -1.623 4.010 -8.081 472 3HD2 LEU 65 3HD2 LEU 65 -1.692 5.609 -7.340 473 H ASP 66 H ASP 66 -3.777 8.615 -8.043 474 HA ASP 66 HA ASP 66 -6.360 9.847 -7.695 475 1HB ASP 66 2HB ASP 66 -4.044 10.700 -8.609 476 2HB ASP 66 1HB ASP 66 -4.678 10.138 -10.153 477 H ARG 67 H ARG 67 -7.973 10.052 -9.476 478 HA ARG 67 HA ARG 67 -9.062 7.634 -10.362 479 1HB ARG 67 2HB ARG 67 -10.107 9.169 -12.153 480 2HB ARG 67 1HB ARG 67 -10.347 9.629 -10.468 481 1HG ARG 67 2HG ARG 67 -8.926 11.437 -10.613 482 2HG ARG 67 1HG ARG 67 -7.923 10.681 -11.850 483 1HD ARG 67 2HD ARG 67 -9.263 11.415 -13.577 484 2HD ARG 67 1HD ARG 67 -10.743 11.315 -12.605 485 HE ARG 67 HE ARG 67 -8.697 13.413 -12.017 486 1HH1 ARG 67 1HH2 ARG 67 -11.184 13.292 -10.389 487 2HH1 ARG 67 2HH2 ARG 67 -12.209 14.440 -11.183 488 1HH2 ARG 67 2HH1 ARG 67 -10.322 14.504 -14.095 489 2HH2 ARG 67 1HH1 ARG 67 -11.720 15.126 -13.284 490 H ASP 68 H ASP 68 -6.490 9.542 -11.835 491 HA ASP 68 HA ASP 68 -6.461 7.905 -14.292 492 1HB ASP 68 2HB ASP 68 -5.972 10.412 -14.073 493 2HB ASP 68 1HB ASP 68 -4.453 9.950 -13.305 494 H GLU 69 H GLU 69 -4.676 8.252 -11.271 495 HA GLU 69 HA GLU 69 -2.527 6.417 -12.017 496 1HB GLU 69 2HB GLU 69 -3.503 7.282 -9.276 497 2HB GLU 69 1HB GLU 69 -1.887 6.715 -9.694 498 1HG GLU 69 2HG GLU 69 -1.606 8.665 -11.194 499 2HG GLU 69 1HG GLU 69 -3.195 9.247 -10.711 500 H PHE 70 H PHE 70 -5.510 6.260 -10.085 501 HA PHE 70 HA PHE 70 -5.353 3.576 -9.207 502 1HB PHE 70 2HB PHE 70 -7.055 5.476 -8.734 503 2HB PHE 70 1HB PHE 70 -7.855 4.957 -10.217 504 HD1 PHE 70 HD1 PHE 70 -7.096 4.104 -6.731 505 HD2 PHE 70 HD2 PHE 70 -8.866 2.714 -10.390 506 HE1 PHE 70 HE1 PHE 70 -8.215 2.273 -5.492 507 HE2 PHE 70 HE2 PHE 70 -9.986 0.882 -9.149 508 HZ PHE 70 HZ PHE 70 -9.659 0.662 -6.701 509 H ALA 71 H ALA 71 -6.244 4.992 -12.310 510 HA ALA 71 HA ALA 71 -7.343 2.710 -13.609 511 1HB ALA 71 1HB ALA 71 -7.176 4.066 -15.487 512 2HB ALA 71 2HB ALA 71 -5.563 4.636 -15.050 513 3HB ALA 71 3HB ALA 71 -6.984 5.280 -14.223 514 H VAL 72 H VAL 72 -4.013 3.951 -13.816 515 HA VAL 72 HA VAL 72 -2.845 1.863 -15.275 516 HB VAL 72 HB VAL 72 -1.709 3.467 -12.963 517 1HG1 VAL 72 1HG1 VAL 72 -0.438 2.034 -15.304 518 2HG1 VAL 72 2HG1 VAL 72 -0.117 1.792 -13.590 519 3HG1 VAL 72 3HG1 VAL 72 0.406 3.279 -14.385 520 1HG2 VAL 72 1HG2 VAL 72 -0.956 4.807 -15.181 521 2HG2 VAL 72 2HG2 VAL 72 -2.456 5.162 -14.324 522 3HG2 VAL 72 3HG2 VAL 72 -2.483 4.139 -15.761 523 H ALA 73 H ALA 73 -3.937 1.884 -11.960 524 HA ALA 73 HA ALA 73 -2.401 -0.525 -11.207 525 1HB ALA 73 1HB ALA 73 -3.103 1.604 -9.839 526 2HB ALA 73 2HB ALA 73 -3.124 0.020 -9.055 527 3HB ALA 73 3HB ALA 73 -4.630 0.733 -9.637 528 H MET 74 H MET 74 -5.419 0.074 -12.756 529 HA MET 74 HA MET 74 -6.671 -2.358 -11.625 530 1HB MET 74 2HB MET 74 -7.665 -0.670 -13.924 531 2HB MET 74 1HB MET 74 -8.614 -1.631 -12.799 532 1HG MET 74 2HG MET 74 -7.357 1.057 -12.409 533 2HG MET 74 1HG MET 74 -8.960 0.506 -11.957 534 1HE MET 74 1HE MET 74 -7.551 -2.368 -9.584 535 2HE MET 74 2HE MET 74 -8.574 -2.032 -10.978 536 3HE MET 74 3HE MET 74 -9.058 -1.468 -9.381 537 H PHE 75 H PHE 75 -5.433 -1.261 -14.792 538 HA PHE 75 HA PHE 75 -5.929 -3.859 -16.018 539 1HB PHE 75 2HB PHE 75 -5.236 -2.780 -17.956 540 2HB PHE 75 1HB PHE 75 -5.677 -1.380 -16.983 541 HD1 PHE 75 HD1 PHE 75 -2.995 -3.157 -18.642 542 HD2 PHE 75 HD2 PHE 75 -3.878 -0.141 -15.717 543 HE1 PHE 75 HE1 PHE 75 -0.670 -2.312 -18.814 544 HE2 PHE 75 HE2 PHE 75 -1.559 0.700 -15.890 545 HZ PHE 75 HZ PHE 75 0.050 -0.383 -17.436 546 H LEU 76 H LEU 76 -3.485 -2.426 -14.059 547 HA LEU 76 HA LEU 76 -1.315 -4.226 -14.841 548 1HB LEU 76 2HB LEU 76 -1.838 -1.986 -12.985 549 2HB LEU 76 1HB LEU 76 -0.657 -3.161 -12.405 550 HG LEU 76 HG LEU 76 -0.556 -1.879 -15.148 551 1HD1 LEU 76 1HD1 LEU 76 -0.158 -0.475 -12.900 552 2HD1 LEU 76 2HD1 LEU 76 0.841 -0.236 -14.335 553 3HD1 LEU 76 3HD1 LEU 76 1.426 -1.243 -13.009 554 1HD2 LEU 76 1HD2 LEU 76 1.941 -2.865 -14.118 555 2HD2 LEU 76 2HD2 LEU 76 1.064 -3.388 -15.557 556 3HD2 LEU 76 3HD2 LEU 76 0.729 -4.141 -13.998 557 H VAL 77 H VAL 77 -3.967 -4.207 -12.578 558 HA VAL 77 HA VAL 77 -2.904 -6.507 -11.045 559 HB VAL 77 HB VAL 77 -5.299 -4.661 -10.914 560 1HG1 VAL 77 1HG1 VAL 77 -6.130 -6.918 -10.386 561 2HG1 VAL 77 2HG1 VAL 77 -6.042 -5.949 -8.917 562 3HG1 VAL 77 3HG1 VAL 77 -4.802 -7.158 -9.251 563 1HG2 VAL 77 1HG2 VAL 77 -3.881 -3.579 -9.528 564 2HG2 VAL 77 2HG2 VAL 77 -2.694 -4.876 -9.668 565 3HG2 VAL 77 3HG2 VAL 77 -3.958 -4.966 -8.441 566 H TYR 78 H TYR 78 -5.580 -5.728 -13.269 567 HA TYR 78 HA TYR 78 -6.781 -8.339 -13.245 568 1HB TYR 78 2HB TYR 78 -6.927 -5.799 -14.721 569 2HB TYR 78 1HB TYR 78 -7.345 -7.205 -15.701 570 HD1 TYR 78 HD1 TYR 78 -8.679 -4.788 -13.581 571 HD2 TYR 78 HD2 TYR 78 -8.832 -9.017 -14.318 572 HE1 TYR 78 HE1 TYR 78 -10.895 -4.901 -12.473 573 HE2 TYR 78 HE2 TYR 78 -11.049 -9.127 -13.209 574 HH TYR 78 HH TYR 78 -12.408 -7.931 -11.708 575 H CYS 79 H CYS 79 -4.027 -6.987 -14.935 576 HA CYS 79 HA CYS 79 -3.893 -9.095 -16.960 577 1HB CYS 79 2HB CYS 79 -2.451 -6.642 -16.132 578 2HB CYS 79 1HB CYS 79 -1.451 -7.870 -16.905 579 HG CYS 79 HG CYS 79 -2.520 -6.378 -18.788 580 H ALA 80 H ALA 80 -2.994 -8.751 -13.675 581 HA ALA 80 HA ALA 80 -0.811 -10.732 -13.797 582 1HB ALA 80 1HB ALA 80 -0.378 -9.119 -12.181 583 2HB ALA 80 2HB ALA 80 -1.207 -10.317 -11.186 584 3HB ALA 80 3HB ALA 80 -2.087 -8.914 -11.792 585 H LEU 81 H LEU 81 -4.187 -10.703 -13.622 586 HA LEU 81 HA LEU 81 -4.434 -13.173 -12.015 587 1HB LEU 81 2HB LEU 81 -6.576 -11.729 -13.582 588 2HB LEU 81 1HB LEU 81 -6.761 -12.678 -12.108 589 HG LEU 81 HG LEU 81 -5.619 -9.913 -12.441 590 1HD1 LEU 81 1HD1 LEU 81 -7.751 -11.228 -10.759 591 2HD1 LEU 81 2HD1 LEU 81 -7.923 -9.893 -11.898 592 3HD1 LEU 81 3HD1 LEU 81 -7.108 -9.636 -10.356 593 1HD2 LEU 81 1HD2 LEU 81 -3.911 -10.917 -11.139 594 2HD2 LEU 81 2HD2 LEU 81 -5.059 -11.936 -10.272 595 3HD2 LEU 81 3HD2 LEU 81 -4.995 -10.205 -9.943 596 H GLU 82 H GLU 82 -4.911 -12.047 -15.345 597 HA GLU 82 HA GLU 82 -5.786 -14.590 -16.387 598 1HB GLU 82 2HB GLU 82 -4.739 -11.984 -17.461 599 2HB GLU 82 1HB GLU 82 -4.957 -13.348 -18.557 600 1HG GLU 82 2HG GLU 82 -7.153 -12.436 -16.694 601 2HG GLU 82 1HG GLU 82 -6.953 -11.749 -18.305 602 H LYS 83 H LYS 83 -2.672 -12.864 -16.602 603 HA LYS 83 HA LYS 83 -1.038 -15.151 -16.127 604 1HB LYS 83 2HB LYS 83 -2.006 -16.074 -18.126 605 2HB LYS 83 1HB LYS 83 -1.765 -14.567 -19.008 606 1HG LYS 83 2HG LYS 83 0.750 -14.907 -18.536 607 2HG LYS 83 1HG LYS 83 0.314 -16.560 -18.106 608 1HD LYS 83 2HD LYS 83 -0.819 -15.563 -20.657 609 2HD LYS 83 1HD LYS 83 0.930 -15.792 -20.635 610 1HE LYS 83 2HE LYS 83 -0.122 -18.065 -19.340 611 2HE LYS 83 1HE LYS 83 -1.146 -17.807 -20.766 612 1HZ LYS 83 1HZ LYS 83 0.871 -19.073 -21.306 613 2HZ LYS 83 2HZ LYS 83 1.827 -17.773 -20.771 614 3HZ LYS 83 3HZ LYS 83 0.819 -17.589 -22.126 615 H GLU 84 H GLU 84 -1.417 -12.017 -17.664 616 HA GLU 84 HA GLU 84 1.346 -11.478 -18.220 617 1HB GLU 84 2HB GLU 84 -1.152 -10.293 -18.562 618 2HB GLU 84 1HB GLU 84 -0.295 -9.175 -17.501 619 1HG GLU 84 2HG GLU 84 0.122 -8.616 -19.864 620 2HG GLU 84 1HG GLU 84 1.610 -9.142 -19.075 621 HA PRO 85 HA PRO 85 2.512 -10.930 -13.915 622 1HB PRO 85 2HB PRO 85 5.189 -10.647 -14.422 623 2HB PRO 85 1HB PRO 85 4.383 -12.227 -14.365 624 1HG PRO 85 2HG PRO 85 5.192 -10.599 -16.718 625 2HG PRO 85 1HG PRO 85 5.237 -12.353 -16.488 626 1HD PRO 85 2HD PRO 85 3.309 -11.058 -17.930 627 2HD PRO 85 1HD PRO 85 3.057 -12.622 -17.123 628 H VAL 86 H VAL 86 4.052 -9.093 -12.910 629 HA VAL 86 HA VAL 86 3.645 -6.585 -14.513 630 HB VAL 86 HB VAL 86 3.314 -6.985 -11.526 631 1HG1 VAL 86 1HG1 VAL 86 3.147 -4.660 -13.393 632 2HG1 VAL 86 2HG1 VAL 86 3.706 -4.720 -11.720 633 3HG1 VAL 86 3HG1 VAL 86 1.977 -4.734 -12.074 634 1HG2 VAL 86 1HG2 VAL 86 1.612 -8.178 -12.964 635 2HG2 VAL 86 2HG2 VAL 86 1.171 -6.609 -13.638 636 3HG2 VAL 86 3HG2 VAL 86 0.928 -6.931 -11.921 637 HA PRO 87 HA PRO 87 7.951 -6.213 -13.350 638 1HB PRO 87 2HB PRO 87 8.553 -4.302 -15.210 639 2HB PRO 87 1HB PRO 87 8.417 -6.023 -15.615 640 1HG PRO 87 2HG PRO 87 6.582 -3.808 -16.211 641 2HG PRO 87 1HG PRO 87 6.790 -5.359 -17.033 642 1HD PRO 87 2HD PRO 87 4.741 -4.641 -15.207 643 2HD PRO 87 1HD PRO 87 5.040 -6.239 -15.921 644 H MET 88 H MET 88 9.259 -4.246 -12.569 645 HA MET 88 HA MET 88 7.466 -2.397 -11.101 646 1HB MET 88 2HB MET 88 10.481 -2.538 -11.121 647 2HB MET 88 1HB MET 88 9.441 -1.895 -9.851 648 1HG MET 88 2HG MET 88 8.683 -4.061 -9.228 649 2HG MET 88 1HG MET 88 9.296 -4.789 -10.711 650 1HE MET 88 1HE MET 88 9.481 -3.805 -7.417 651 2HE MET 88 2HE MET 88 11.137 -3.786 -6.814 652 3HE MET 88 3HE MET 88 10.312 -5.324 -7.052 653 H SER 89 H SER 89 8.389 -2.290 -14.165 654 HA SER 89 HA SER 89 9.386 0.520 -14.058 655 1HB SER 89 2HB SER 89 9.435 -1.620 -16.189 656 2HB SER 89 1HB SER 89 10.062 0.010 -16.407 657 HG SER 89 HG SER 89 11.491 -1.861 -15.620 658 H LEU 90 H LEU 90 7.564 1.762 -14.022 659 HA LEU 90 HA LEU 90 5.111 1.156 -15.366 660 1HB LEU 90 2HB LEU 90 4.699 2.801 -13.850 661 2HB LEU 90 1HB LEU 90 6.392 3.283 -13.818 662 HG LEU 90 HG LEU 90 6.077 4.613 -15.833 663 1HD1 LEU 90 1HD1 LEU 90 4.172 4.575 -17.130 664 2HD1 LEU 90 2HD1 LEU 90 3.115 4.302 -15.744 665 3HD1 LEU 90 3HD1 LEU 90 4.023 2.960 -16.438 666 1HD2 LEU 90 1HD2 LEU 90 3.840 5.227 -13.888 667 2HD2 LEU 90 2HD2 LEU 90 4.760 6.376 -14.860 668 3HD2 LEU 90 3HD2 LEU 90 5.541 5.527 -13.526 669 HA PRO 91 HA PRO 91 6.968 1.804 -19.400 670 1HB PRO 91 2HB PRO 91 4.751 0.991 -20.804 671 2HB PRO 91 1HB PRO 91 5.928 -0.132 -20.091 672 1HG PRO 91 2HG PRO 91 3.279 0.747 -19.038 673 2HG PRO 91 1HG PRO 91 4.003 -0.868 -19.052 674 1HD PRO 91 2HD PRO 91 3.987 0.670 -16.839 675 2HD PRO 91 1HD PRO 91 5.329 -0.440 -17.206 676 HA PRO 92 HA PRO 92 5.399 5.817 -20.265 677 1HB PRO 92 2HB PRO 92 6.347 6.080 -22.815 678 2HB PRO 92 1HB PRO 92 7.391 6.180 -21.383 679 1HG PRO 92 2HG PRO 92 6.942 3.900 -23.246 680 2HG PRO 92 1HG PRO 92 8.446 4.466 -22.498 681 1HD PRO 92 2HD PRO 92 7.067 2.315 -21.591 682 2HD PRO 92 1HD PRO 92 8.037 3.361 -20.527 683 H ALA 93 H ALA 93 4.352 3.002 -21.821 684 HA ALA 93 HA ALA 93 2.558 4.312 -23.760 685 1HB ALA 93 1HB ALA 93 2.200 2.122 -24.495 686 2HB ALA 93 2HB ALA 93 2.348 1.450 -22.872 687 3HB ALA 93 3HB ALA 93 3.790 1.949 -23.755 688 H LEU 94 H LEU 94 2.516 2.947 -20.556 689 HA LEU 94 HA LEU 94 -0.426 3.233 -20.278 690 1HB LEU 94 2HB LEU 94 0.352 1.248 -19.322 691 2HB LEU 94 1HB LEU 94 1.899 1.956 -18.879 692 HG LEU 94 HG LEU 94 0.327 1.395 -16.959 693 1HD1 LEU 94 1HD1 LEU 94 1.665 2.833 -15.880 694 2HD1 LEU 94 2HD1 LEU 94 0.692 4.188 -16.456 695 3HD1 LEU 94 3HD1 LEU 94 2.054 3.607 -17.419 696 1HD2 LEU 94 1HD2 LEU 94 -1.766 2.203 -17.027 697 2HD2 LEU 94 2HD2 LEU 94 -1.407 3.018 -18.548 698 3HD2 LEU 94 3HD2 LEU 94 -1.128 3.846 -17.016 699 H VAL 95 H VAL 95 2.515 4.926 -19.654 700 HA VAL 95 HA VAL 95 1.673 6.507 -17.393 701 HB VAL 95 HB VAL 95 3.995 5.986 -18.694 702 1HG1 VAL 95 1HG1 VAL 95 4.799 7.839 -19.938 703 2HG1 VAL 95 2HG1 VAL 95 3.458 8.866 -19.433 704 3HG1 VAL 95 3HG1 VAL 95 3.180 7.549 -20.572 705 1HG2 VAL 95 1HG2 VAL 95 4.938 7.226 -17.016 706 2HG2 VAL 95 2HG2 VAL 95 3.276 7.258 -16.428 707 3HG2 VAL 95 3HG2 VAL 95 3.917 8.628 -17.334 708 HA PRO 96 HA PRO 96 -1.056 9.260 -19.480 709 1HB PRO 96 2HB PRO 96 -1.071 11.283 -17.635 710 2HB PRO 96 1HB PRO 96 -1.934 9.750 -17.401 711 1HG PRO 96 2HG PRO 96 0.670 10.644 -16.283 712 2HG PRO 96 1HG PRO 96 -0.613 9.691 -15.528 713 1HD PRO 96 2HD PRO 96 1.693 8.613 -16.523 714 2HD PRO 96 1HD PRO 96 0.159 7.723 -16.397 715 HA PRO 97 HA PRO 97 1.430 12.198 -21.577 716 1HB PRO 97 2HB PRO 97 -0.370 14.188 -22.118 717 2HB PRO 97 1HB PRO 97 -0.389 12.615 -22.940 718 1HG PRO 97 2HG PRO 97 -2.088 13.603 -20.708 719 2HG PRO 97 1HG PRO 97 -2.520 12.591 -22.094 720 1HD PRO 97 2HD PRO 97 -2.093 11.613 -19.581 721 2HD PRO 97 1HD PRO 97 -1.846 10.665 -21.063 722 H SER 98 H SER 98 -0.478 13.474 -18.863 723 HA SER 98 HA SER 98 0.867 15.991 -18.629 724 1HB SER 98 2HB SER 98 -0.552 14.177 -16.660 725 2HB SER 98 1HB SER 98 -0.026 15.809 -16.255 726 HG SER 98 HG SER 98 -1.389 16.613 -17.811 727 H LYS 99 H LYS 99 1.780 12.752 -17.731 728 HA LYS 99 HA LYS 99 4.027 13.738 -16.048 729 1HB LYS 99 2HB LYS 99 2.310 11.479 -16.128 730 2HB LYS 99 1HB LYS 99 3.933 10.888 -16.483 731 1HG LYS 99 2HG LYS 99 3.861 12.856 -14.306 732 2HG LYS 99 1HG LYS 99 2.948 11.389 -13.953 733 1HD LYS 99 2HD LYS 99 5.632 11.038 -15.196 734 2HD LYS 99 1HD LYS 99 5.593 11.564 -13.514 735 1HE LYS 99 2HE LYS 99 3.673 9.418 -13.994 736 2HE LYS 99 1HE LYS 99 5.331 8.925 -14.396 737 1HZ LYS 99 1HZ LYS 99 4.996 10.546 -12.001 738 2HZ LYS 99 2HZ LYS 99 6.045 9.240 -12.290 739 3HZ LYS 99 3HZ LYS 99 4.415 8.955 -11.906 740 H ARG 100 H ARG 100 3.582 13.680 -19.209 741 HA ARG 100 HA ARG 100 5.984 12.125 -20.002 742 1HB ARG 100 2HB ARG 100 3.527 13.105 -21.179 743 2HB ARG 100 1HB ARG 100 4.907 13.575 -22.171 744 1HG ARG 100 2HG ARG 100 5.591 11.339 -22.488 745 2HG ARG 100 1HG ARG 100 4.636 10.760 -21.123 746 1HD ARG 100 2HD ARG 100 2.886 12.061 -23.015 747 2HD ARG 100 1HD ARG 100 3.844 10.813 -23.841 748 HE ARG 100 HE ARG 100 2.657 10.081 -21.225 749 1HH1 ARG 100 1HH2 ARG 100 3.741 8.216 -23.412 750 2HH1 ARG 100 2HH2 ARG 100 2.264 7.561 -24.037 751 1HH2 ARG 100 2HH1 ARG 100 0.260 9.976 -22.562 752 2HH2 ARG 100 1HH1 ARG 100 0.293 8.558 -23.555 753 H SER 107 1H SER 107 7.846 4.283 5.156 754 HA SER 107 HA SER 107 8.094 2.935 3.050 755 1HB SER 107 2HB SER 107 5.268 3.395 4.021 756 2HB SER 107 1HB SER 107 6.026 1.871 3.568 757 HG SER 107 HG SER 107 6.091 3.253 5.936 758 H THR 108 H THR 108 7.417 2.716 0.880 759 HA THR 108 HA THR 108 6.003 5.099 -0.273 760 HB THR 108 HB THR 108 7.606 3.221 -1.941 761 HG1 THR 108 HG1 THR 108 8.956 5.146 -0.419 762 1HG2 THR 108 1HG2 THR 108 6.940 6.123 -1.799 763 2HG2 THR 108 2HG2 THR 108 6.967 5.043 -3.192 764 3HG2 THR 108 3HG2 THR 108 8.477 5.679 -2.541 765 H ASN 109 H ASN 109 5.764 1.726 0.294 766 HA ASN 109 HA ASN 109 3.415 1.587 -1.550 767 1HB ASN 109 2HB ASN 109 5.397 0.594 -2.615 768 2HB ASN 109 1HB ASN 109 5.647 -0.443 -1.209 769 1HD2 ASN 109 1HD2 ASN 109 3.215 0.299 -3.740 770 2HD2 ASN 109 2HD2 ASN 109 2.541 -1.255 -3.774 771 HA PRO 110 HA PRO 110 1.813 0.055 2.336 772 1HB PRO 110 2HB PRO 110 -0.807 0.015 1.554 773 2HB PRO 110 1HB PRO 110 0.043 1.499 2.028 774 1HG PRO 110 2HG PRO 110 -0.650 0.499 -0.670 775 2HG PRO 110 1HG PRO 110 -0.569 2.157 -0.064 776 1HD PRO 110 2HD PRO 110 1.375 0.949 -1.615 777 2HD PRO 110 1HD PRO 110 1.632 2.364 -0.576 778 H PHE 111 H PHE 111 2.459 -1.687 -0.322 779 HA PHE 111 HA PHE 111 0.715 -4.008 0.421 780 1HB PHE 111 2HB PHE 111 2.439 -3.607 -2.042 781 2HB PHE 111 1HB PHE 111 1.184 -4.822 -1.817 782 HD1 PHE 111 HD1 PHE 111 1.699 -1.112 -1.855 783 HD2 PHE 111 HD2 PHE 111 -1.043 -4.360 -2.516 784 HE1 PHE 111 HE1 PHE 111 0.020 0.479 -2.724 785 HE2 PHE 111 HE2 PHE 111 -2.713 -2.753 -3.367 786 HZ PHE 111 HZ PHE 111 -2.181 -0.334 -3.470 787 H ARG 112 HN ARG 112 4.036 -3.457 -0.774 788 HA ARG 112 HA ARG 112 5.274 -5.816 -0.019 789 1HB ARG 112 2HB ARG 112 6.316 -2.985 0.342 790 2HB ARG 112 1HB ARG 112 7.311 -4.431 0.166 791 1HG ARG 112 2HG ARG 112 5.416 -4.366 -1.983 792 2HG ARG 112 1HG ARG 112 6.222 -2.799 -1.900 793 1HD ARG 112 2HD ARG 112 7.993 -5.171 -1.592 794 2HD ARG 112 1HD ARG 112 7.303 -4.911 -3.206 795 HE ARG 112 HE ARG 112 8.723 -3.042 -3.390 796 1HH1 ARG 112 1HH2 ARG 112 9.372 -4.271 -0.396 797 2HH1 ARG 112 2HH2 ARG 112 9.743 -2.761 0.367 798 1HH2 ARG 112 1HH1 ARG 112 8.612 -0.838 -2.285 799 2HH2 ARG 112 2HH1 ARG 112 9.313 -0.818 -0.702 Start of MODEL 9 1 HA PRO 6 HA PRO 6 -2.271 5.229 -27.690 2 1HB PRO 6 2HB PRO 6 -4.727 4.383 -26.830 3 2HB PRO 6 1HB PRO 6 -4.417 4.910 -28.497 4 1HG PRO 6 2HG PRO 6 -4.656 2.161 -27.395 5 2HG PRO 6 1HG PRO 6 -5.196 2.806 -28.953 6 1HD PRO 6 2HD PRO 6 -2.931 1.299 -28.618 7 2HD PRO 6 1HD PRO 6 -3.172 2.460 -29.943 8 H TRP 7 H TRP 7 -3.463 5.465 -25.313 9 HA TRP 7 HA TRP 7 -1.644 4.615 -23.346 10 1HB TRP 7 2HB TRP 7 -3.352 6.390 -23.115 11 2HB TRP 7 1HB TRP 7 -4.625 5.170 -23.144 12 HD1 TRP 7 HD1 TRP 7 -1.493 4.235 -21.314 13 HE1 TRP 7 HE1 TRP 7 -1.932 4.229 -18.775 14 HE3 TRP 7 HE3 TRP 7 -6.098 6.424 -21.221 15 HZ2 TRP 7 HZ2 TRP 7 -3.972 5.050 -16.946 16 HZ3 TRP 7 HZ3 TRP 7 -7.266 6.800 -19.071 17 HH2 TRP 7 HH2 TRP 7 -6.211 6.118 -16.934 18 H ALA 8 H ALA 8 -1.241 2.581 -22.575 19 HA ALA 8 HA ALA 8 -2.294 0.179 -23.357 20 1HB ALA 8 1HB ALA 8 -1.787 -0.443 -20.842 21 2HB ALA 8 2HB ALA 8 -1.222 1.224 -20.774 22 3HB ALA 8 3HB ALA 8 -0.481 0.092 -21.903 23 H VAL 9 H VAL 9 -3.807 2.482 -21.187 24 HA VAL 9 HA VAL 9 -6.000 0.565 -20.559 25 HB VAL 9 HB VAL 9 -5.101 3.268 -19.550 26 1HG1 VAL 9 1HG1 VAL 9 -7.578 1.763 -18.669 27 2HG1 VAL 9 2HG1 VAL 9 -7.613 3.166 -19.737 28 3HG1 VAL 9 3HG1 VAL 9 -7.025 3.331 -18.082 29 1HG2 VAL 9 1HG2 VAL 9 -5.271 1.790 -17.373 30 2HG2 VAL 9 2HG2 VAL 9 -3.888 1.598 -18.450 31 3HG2 VAL 9 3HG2 VAL 9 -5.222 0.447 -18.515 32 H LYS 10 H LYS 10 -7.858 0.644 -21.755 33 HA LYS 10 HA LYS 10 -8.223 2.715 -23.796 34 1HB LYS 10 2HB LYS 10 -9.364 0.102 -22.971 35 2HB LYS 10 1HB LYS 10 -10.478 1.186 -23.805 36 1HG LYS 10 2HG LYS 10 -8.784 1.457 -25.625 37 2HG LYS 10 1HG LYS 10 -7.768 0.267 -24.811 38 1HD LYS 10 2HD LYS 10 -9.091 -1.488 -25.436 39 2HD LYS 10 1HD LYS 10 -10.579 -0.555 -25.272 40 1HE LYS 10 2HE LYS 10 -10.241 -1.047 -27.640 41 2HE LYS 10 1HE LYS 10 -9.931 0.683 -27.391 42 1HZ LYS 10 1HZ LYS 10 -7.545 -0.215 -26.844 43 2HZ LYS 10 2HZ LYS 10 -8.012 0.091 -28.449 44 3HZ LYS 10 3HZ LYS 10 -8.024 -1.498 -27.846 45 HA PRO 11 HA PRO 11 -11.140 5.296 -21.763 46 1HB PRO 11 2HB PRO 11 -13.259 5.409 -23.503 47 2HB PRO 11 1HB PRO 11 -11.717 6.235 -23.807 48 1HG PRO 11 2HG PRO 11 -12.711 3.631 -24.872 49 2HG PRO 11 1HG PRO 11 -11.844 4.931 -25.706 50 1HD PRO 11 2HD PRO 11 -10.609 2.682 -24.879 51 2HD PRO 11 1HD PRO 11 -9.789 4.260 -24.903 52 H GLU 12 H GLU 12 -12.432 2.271 -23.042 53 HA GLU 12 HA GLU 12 -14.740 2.207 -21.238 54 1HB GLU 12 2HB GLU 12 -15.112 0.062 -22.306 55 2HB GLU 12 1HB GLU 12 -14.560 1.185 -23.548 56 1HG GLU 12 2HG GLU 12 -12.201 0.322 -23.091 57 2HG GLU 12 1HG GLU 12 -12.958 -0.967 -22.154 58 H ASP 13 H ASP 13 -11.407 1.329 -21.117 59 HA ASP 13 HA ASP 13 -11.699 -0.658 -18.975 60 1HB ASP 13 2HB ASP 13 -9.563 0.568 -20.652 61 2HB ASP 13 1HB ASP 13 -9.063 -0.053 -19.079 62 H LYS 14 H LYS 14 -10.568 2.689 -19.345 63 HA LYS 14 HA LYS 14 -9.991 3.054 -16.528 64 1HB LYS 14 2HB LYS 14 -9.011 4.330 -18.469 65 2HB LYS 14 1HB LYS 14 -10.585 5.094 -18.692 66 1HG LYS 14 2HG LYS 14 -10.071 5.417 -15.975 67 2HG LYS 14 1HG LYS 14 -8.504 5.692 -16.737 68 1HD LYS 14 2HD LYS 14 -10.141 7.075 -18.424 69 2HD LYS 14 1HD LYS 14 -10.980 7.299 -16.890 70 1HE LYS 14 2HE LYS 14 -9.466 8.889 -16.342 71 2HE LYS 14 1HE LYS 14 -8.198 7.648 -16.371 72 1HZ LYS 14 1HZ LYS 14 -8.931 9.582 -18.406 73 2HZ LYS 14 2HZ LYS 14 -8.655 8.010 -18.984 74 3HZ LYS 14 3HZ LYS 14 -7.441 8.825 -18.120 75 H ALA 15 H ALA 15 -12.827 3.027 -18.453 76 HA ALA 15 HA ALA 15 -14.471 4.800 -16.831 77 1HB ALA 15 1HB ALA 15 -14.969 2.658 -18.917 78 2HB ALA 15 2HB ALA 15 -15.065 4.406 -19.123 79 3HB ALA 15 3HB ALA 15 -16.284 3.563 -18.168 80 H LYS 16 H LYS 16 -13.915 1.293 -17.044 81 HA LYS 16 HA LYS 16 -15.779 0.682 -14.878 82 1HB LYS 16 2HB LYS 16 -15.409 -1.469 -15.590 83 2HB LYS 16 1HB LYS 16 -14.692 -0.668 -16.986 84 1HG LYS 16 2HG LYS 16 -12.481 -0.885 -16.071 85 2HG LYS 16 1HG LYS 16 -13.115 -1.439 -14.523 86 1HD LYS 16 2HD LYS 16 -12.650 -3.500 -15.422 87 2HD LYS 16 1HD LYS 16 -14.250 -3.281 -16.129 88 1HE LYS 16 2HE LYS 16 -12.389 -1.948 -17.834 89 2HE LYS 16 1HE LYS 16 -11.754 -3.571 -17.503 90 1HZ LYS 16 1HZ LYS 16 -13.560 -3.234 -19.338 91 2HZ LYS 16 2HZ LYS 16 -14.627 -3.241 -18.016 92 3HZ LYS 16 3HZ LYS 16 -13.628 -4.582 -18.311 93 H TYR 17 H TYR 17 -12.454 1.587 -15.237 94 HA TYR 17 HA TYR 17 -11.519 0.651 -12.639 95 1HB TYR 17 2HB TYR 17 -10.529 2.736 -14.620 96 2HB TYR 17 1HB TYR 17 -9.601 2.161 -13.237 97 HD1 TYR 17 HD1 TYR 17 -8.133 1.766 -15.523 98 HD2 TYR 17 HD2 TYR 17 -11.488 -0.580 -14.219 99 HE1 TYR 17 HE1 TYR 17 -7.301 -0.154 -16.858 100 HE2 TYR 17 HE2 TYR 17 -10.667 -2.496 -15.562 101 HH TYR 17 HH TYR 17 -9.061 -3.262 -16.886 102 H ASP 18 H ASP 18 -12.919 3.590 -13.987 103 HA ASP 18 HA ASP 18 -12.474 5.288 -11.683 104 1HB ASP 18 2HB ASP 18 -13.940 5.287 -14.255 105 2HB ASP 18 1HB ASP 18 -14.648 6.310 -13.005 106 H ALA 19 H ALA 19 -14.808 2.822 -12.465 107 HA ALA 19 HA ALA 19 -16.830 3.692 -10.538 108 1HB ALA 19 1HB ALA 19 -18.024 2.064 -11.597 109 2HB ALA 19 2HB ALA 19 -16.754 0.867 -11.344 110 3HB ALA 19 3HB ALA 19 -16.664 1.973 -12.715 111 H ILE 20 H ILE 20 -14.058 1.526 -10.648 112 HA ILE 20 HA ILE 20 -14.562 0.389 -8.006 113 HB ILE 20 HB ILE 20 -12.324 0.342 -10.048 114 1HG1 ILE 20 2HG1 ILE 20 -13.967 -1.987 -9.070 115 2HG1 ILE 20 1HG1 ILE 20 -14.608 -0.901 -10.305 116 1HG2 ILE 20 1HG2 ILE 20 -11.549 0.152 -7.630 117 2HG2 ILE 20 2HG2 ILE 20 -11.129 -1.199 -8.683 118 3HG2 ILE 20 3HG2 ILE 20 -12.473 -1.346 -7.549 119 1HD1 ILE 20 1HD1 ILE 20 -11.981 -2.412 -10.472 120 2HD1 ILE 20 2HD1 ILE 20 -12.605 -1.310 -11.702 121 3HD1 ILE 20 3HD1 ILE 20 -13.458 -2.814 -11.348 122 H PHE 21 H PHE 21 -12.666 2.938 -9.500 123 HA PHE 21 HA PHE 21 -11.064 3.582 -7.168 124 1HB PHE 21 2HB PHE 21 -10.056 4.388 -9.065 125 2HB PHE 21 1HB PHE 21 -11.585 4.531 -9.923 126 HD1 PHE 21 HD1 PHE 21 -8.978 6.305 -8.235 127 HD2 PHE 21 HD2 PHE 21 -13.155 6.477 -9.219 128 HE1 PHE 21 HE1 PHE 21 -8.971 8.756 -7.848 129 HE2 PHE 21 HE2 PHE 21 -13.148 8.926 -8.834 130 HZ PHE 21 HZ PHE 21 -11.057 10.064 -8.148 131 H ASP 22 H ASP 22 -14.184 4.553 -8.464 132 HA ASP 22 HA ASP 22 -14.534 6.687 -6.445 133 1HB ASP 22 2HB ASP 22 -15.319 7.166 -8.646 134 2HB ASP 22 1HB ASP 22 -16.108 5.594 -8.786 135 H SER 23 H SER 23 -14.875 3.350 -6.515 136 HA SER 23 HA SER 23 -17.365 3.200 -4.925 137 1HB SER 23 2HB SER 23 -16.825 0.762 -5.019 138 2HB SER 23 1HB SER 23 -16.828 1.506 -6.616 139 HG SER 23 HG SER 23 -14.595 0.892 -4.972 140 H LEU 24 H LEU 24 -14.101 3.813 -4.369 141 HA LEU 24 HA LEU 24 -14.048 2.643 -1.629 142 1HB LEU 24 2HB LEU 24 -11.888 4.238 -3.007 143 2HB LEU 24 1HB LEU 24 -11.705 2.952 -1.814 144 HG LEU 24 HG LEU 24 -12.858 2.472 -4.564 145 1HD1 LEU 24 1HD1 LEU 24 -10.790 2.566 -5.447 146 2HD1 LEU 24 2HD1 LEU 24 -10.210 1.418 -4.241 147 3HD1 LEU 24 3HD1 LEU 24 -10.181 3.146 -3.896 148 1HD2 LEU 24 1HD2 LEU 24 -12.312 0.149 -4.050 149 2HD2 LEU 24 2HD2 LEU 24 -13.285 0.812 -2.735 150 3HD2 LEU 24 3HD2 LEU 24 -11.539 0.640 -2.543 151 H SER 25 H SER 25 -14.642 5.507 -3.346 152 HA SER 25 HA SER 25 -15.568 7.542 -2.427 153 1HB SER 25 2HB SER 25 -15.550 7.919 -0.128 154 2HB SER 25 1HB SER 25 -15.398 6.165 -0.162 155 HG SER 25 HG SER 25 -13.675 6.595 0.989 156 HA PRO 26 HA PRO 26 -11.512 8.933 -3.900 157 1HB PRO 26 2HB PRO 26 -12.547 10.680 -5.726 158 2HB PRO 26 1HB PRO 26 -12.346 8.948 -6.057 159 1HG PRO 26 2HG PRO 26 -14.788 10.459 -5.297 160 2HG PRO 26 1HG PRO 26 -14.599 9.124 -6.443 161 1HD PRO 26 2HD PRO 26 -15.601 8.821 -3.921 162 2HD PRO 26 1HD PRO 26 -14.763 7.529 -4.807 163 H VAL 27 H VAL 27 -10.444 10.845 -3.392 164 HA VAL 27 HA VAL 27 -12.034 12.897 -1.894 165 HB VAL 27 HB VAL 27 -9.177 11.900 -1.634 166 1HG1 VAL 27 1HG1 VAL 27 -9.467 13.413 0.535 167 2HG1 VAL 27 2HG1 VAL 27 -10.610 14.270 -0.499 168 3HG1 VAL 27 3HG1 VAL 27 -8.924 14.112 -0.992 169 1HG2 VAL 27 1HG2 VAL 27 -11.103 11.858 0.625 170 2HG2 VAL 27 2HG2 VAL 27 -9.904 10.657 0.147 171 3HG2 VAL 27 3HG2 VAL 27 -11.451 10.743 -0.697 172 H ASN 28 H ASN 28 -12.369 14.407 -3.561 173 HA ASN 28 HA ASN 28 -11.773 16.176 -5.009 174 1HB ASN 28 2HB ASN 28 -10.173 16.491 -3.034 175 2HB ASN 28 1HB ASN 28 -8.961 15.663 -4.010 176 1HD2 ASN 28 1HD2 ASN 28 -8.667 16.656 -6.306 177 2HD2 ASN 28 2HD2 ASN 28 -8.739 18.350 -6.415 178 H GLY 29 H GLY 29 -11.275 13.096 -5.547 179 1HA GLY 29 2HA GLY 29 -11.036 12.201 -7.793 180 2HA GLY 29 1HA GLY 29 -9.989 13.565 -8.191 181 H PHE 30 H PHE 30 -9.672 11.670 -5.237 182 HA PHE 30 HA PHE 30 -7.286 10.279 -6.359 183 1HB PHE 30 2HB PHE 30 -7.370 12.150 -3.978 184 2HB PHE 30 1HB PHE 30 -6.001 11.095 -4.349 185 HD1 PHE 30 HD1 PHE 30 -7.487 14.271 -4.943 186 HD2 PHE 30 HD2 PHE 30 -5.067 11.234 -6.776 187 HE1 PHE 30 HE1 PHE 30 -6.665 15.926 -6.585 188 HE2 PHE 30 HE2 PHE 30 -4.235 12.897 -8.424 189 HZ PHE 30 HZ PHE 30 -5.035 15.245 -8.329 190 H LEU 31 H LEU 31 -6.731 8.397 -5.247 191 HA LEU 31 HA LEU 31 -8.621 7.547 -3.070 192 1HB LEU 31 2HB LEU 31 -7.268 6.105 -5.356 193 2HB LEU 31 1HB LEU 31 -7.782 5.208 -3.926 194 HG LEU 31 HG LEU 31 -9.507 6.773 -5.850 195 1HD1 LEU 31 1HD1 LEU 31 -10.691 4.406 -5.490 196 2HD1 LEU 31 2HD1 LEU 31 -9.044 3.933 -5.055 197 3HD1 LEU 31 3HD1 LEU 31 -9.379 4.611 -6.652 198 1HD2 LEU 31 1HD2 LEU 31 -10.064 5.807 -3.036 199 2HD2 LEU 31 2HD2 LEU 31 -11.362 6.000 -4.216 200 3HD2 LEU 31 3HD2 LEU 31 -10.397 7.395 -3.730 201 H SER 32 H SER 32 -7.571 6.204 -1.383 202 HA SER 32 HA SER 32 -4.717 6.993 -1.042 203 1HB SER 32 2HB SER 32 -5.176 6.673 1.330 204 2HB SER 32 1HB SER 32 -6.474 7.645 0.641 205 HG SER 32 HG SER 32 -7.158 5.841 1.978 206 H GLY 33 H GLY 33 -3.140 5.426 -0.686 207 1HA GLY 33 2HA GLY 33 -3.323 2.904 -1.835 208 2HA GLY 33 1HA GLY 33 -2.231 3.245 -0.492 209 H ASP 34 H ASP 34 -4.610 3.965 1.210 210 HA ASP 34 HA ASP 34 -5.058 1.360 2.382 211 1HB ASP 34 2HB ASP 34 -5.057 3.862 3.287 212 2HB ASP 34 1HB ASP 34 -6.784 3.730 2.956 213 H LYS 35 H LYS 35 -6.758 3.280 -0.022 214 HA LYS 35 HA LYS 35 -9.213 1.636 0.225 215 1HB LYS 35 2HB LYS 35 -8.321 4.024 -1.414 216 2HB LYS 35 1HB LYS 35 -9.872 3.230 -1.680 217 1HG LYS 35 2HG LYS 35 -10.599 3.718 0.561 218 2HG LYS 35 1HG LYS 35 -8.990 4.272 1.021 219 1HD LYS 35 2HD LYS 35 -9.154 6.212 -0.357 220 2HD LYS 35 1HD LYS 35 -10.581 5.591 -1.185 221 1HE LYS 35 2HE LYS 35 -11.502 7.123 0.363 222 2HE LYS 35 1HE LYS 35 -11.643 5.580 1.227 223 1HZ LYS 35 1HZ LYS 35 -9.132 6.268 1.805 224 2HZ LYS 35 2HZ LYS 35 -10.456 6.659 2.794 225 3HZ LYS 35 3HZ LYS 35 -9.838 7.807 1.705 226 H VAL 36 H VAL 36 -6.408 2.177 -1.821 227 HA VAL 36 HA VAL 36 -7.307 0.423 -3.980 228 HB VAL 36 HB VAL 36 -4.630 1.588 -3.172 229 1HG1 VAL 36 1HG1 VAL 36 -3.678 0.592 -4.973 230 2HG1 VAL 36 2HG1 VAL 36 -5.107 0.835 -5.978 231 3HG1 VAL 36 3HG1 VAL 36 -5.033 -0.530 -4.859 232 1HG2 VAL 36 1HG2 VAL 36 -5.122 3.194 -5.004 233 2HG2 VAL 36 2HG2 VAL 36 -6.335 3.271 -3.725 234 3HG2 VAL 36 3HG2 VAL 36 -6.695 2.428 -5.232 235 H LYS 37 H LYS 37 -5.154 0.113 -1.154 236 HA LYS 37 HA LYS 37 -3.867 -2.279 -1.579 237 1HB LYS 37 2HB LYS 37 -4.600 -0.670 0.615 238 2HB LYS 37 1HB LYS 37 -5.121 -2.296 1.041 239 1HG LYS 37 2HG LYS 37 -2.865 -3.155 0.490 240 2HG LYS 37 1HG LYS 37 -2.345 -1.513 0.111 241 1HD LYS 37 2HD LYS 37 -1.644 -1.803 2.340 242 2HD LYS 37 1HD LYS 37 -3.166 -0.928 2.503 243 1HE LYS 37 2HE LYS 37 -4.308 -2.787 3.314 244 2HE LYS 37 1HE LYS 37 -3.232 -3.933 2.489 245 1HZ LYS 37 1HZ LYS 37 -1.440 -2.830 3.981 246 2HZ LYS 37 2HZ LYS 37 -2.445 -4.035 4.635 247 3HZ LYS 37 3HZ LYS 37 -2.759 -2.396 4.954 248 HA PRO 38 HA PRO 38 -7.733 -4.820 -0.252 249 1HB PRO 38 2HB PRO 38 -10.135 -3.487 -0.318 250 2HB PRO 38 1HB PRO 38 -9.143 -3.637 1.148 251 1HG PRO 38 2HG PRO 38 -9.362 -1.362 -0.769 252 2HG PRO 38 1HG PRO 38 -9.283 -1.341 1.002 253 1HD PRO 38 2HD PRO 38 -7.146 -0.775 -0.521 254 2HD PRO 38 1HD PRO 38 -6.990 -1.610 1.039 255 H VAL 39 H VAL 39 -8.098 -2.217 -2.603 256 HA VAL 39 HA VAL 39 -9.785 -3.595 -4.475 257 HB VAL 39 HB VAL 39 -7.862 -1.287 -4.447 258 1HG1 VAL 39 1HG1 VAL 39 -9.227 -2.249 -6.973 259 2HG1 VAL 39 2HG1 VAL 39 -7.516 -2.505 -6.626 260 3HG1 VAL 39 3HG1 VAL 39 -8.142 -0.869 -6.804 261 1HG2 VAL 39 1HG2 VAL 39 -9.972 -0.625 -3.731 262 2HG2 VAL 39 2HG2 VAL 39 -10.802 -1.752 -4.803 263 3HG2 VAL 39 3HG2 VAL 39 -10.080 -0.283 -5.457 264 H LEU 40 H LEU 40 -6.315 -3.575 -3.832 265 HA LEU 40 HA LEU 40 -5.720 -5.262 -6.196 266 1HB LEU 40 2HB LEU 40 -3.975 -4.189 -3.955 267 2HB LEU 40 1HB LEU 40 -3.427 -4.807 -5.515 268 HG LEU 40 HG LEU 40 -5.353 -2.498 -5.287 269 1HD1 LEU 40 1HD1 LEU 40 -2.369 -2.581 -5.126 270 2HD1 LEU 40 2HD1 LEU 40 -3.519 -1.532 -4.293 271 3HD1 LEU 40 3HD1 LEU 40 -3.137 -1.248 -5.991 272 1HD2 LEU 40 1HD2 LEU 40 -5.283 -3.713 -7.413 273 2HD2 LEU 40 2HD2 LEU 40 -3.529 -3.515 -7.474 274 3HD2 LEU 40 3HD2 LEU 40 -4.581 -2.103 -7.598 275 H LEU 41 H LEU 41 -6.008 -5.489 -2.695 276 HA LEU 41 HA LEU 41 -4.804 -8.116 -2.448 277 1HB LEU 41 2HB LEU 41 -6.679 -6.420 -0.778 278 2HB LEU 41 1HB LEU 41 -6.045 -7.969 -0.225 279 HG LEU 41 HG LEU 41 -4.227 -5.770 -1.203 280 1HD1 LEU 41 1HD1 LEU 41 -5.882 -5.429 0.938 281 2HD1 LEU 41 2HD1 LEU 41 -4.277 -4.708 0.816 282 3HD1 LEU 41 3HD1 LEU 41 -4.502 -6.212 1.709 283 1HD2 LEU 41 1HD2 LEU 41 -3.155 -7.421 0.860 284 2HD2 LEU 41 2HD2 LEU 41 -2.675 -7.363 -0.837 285 3HD2 LEU 41 3HD2 LEU 41 -3.935 -8.481 -0.314 286 H ASN 42 H ASN 42 -7.743 -6.927 -3.700 287 HA ASN 42 HA ASN 42 -9.286 -9.352 -3.070 288 1HB ASN 42 2HB ASN 42 -10.307 -7.120 -2.987 289 2HB ASN 42 1HB ASN 42 -9.876 -6.846 -4.676 290 1HD2 ASN 42 1HD2 ASN 42 -12.284 -6.595 -5.031 291 2HD2 ASN 42 2HD2 ASN 42 -13.234 -7.991 -5.205 292 H SER 43 H SER 43 -7.100 -8.335 -5.468 293 HA SER 43 HA SER 43 -8.335 -9.713 -7.741 294 1HB SER 43 2HB SER 43 -6.222 -9.057 -8.830 295 2HB SER 43 1HB SER 43 -6.892 -7.705 -7.923 296 HG SER 43 HG SER 43 -5.419 -8.085 -6.306 297 H LYS 44 H LYS 44 -7.208 -11.013 -5.012 298 HA LYS 44 HA LYS 44 -6.392 -13.169 -4.485 299 1HB LYS 44 2HB LYS 44 -7.653 -13.254 -7.020 300 2HB LYS 44 1HB LYS 44 -6.155 -14.171 -7.187 301 1HG LYS 44 2HG LYS 44 -6.803 -15.341 -5.001 302 2HG LYS 44 1HG LYS 44 -8.400 -14.624 -5.214 303 1HD LYS 44 2HD LYS 44 -8.738 -15.767 -7.291 304 2HD LYS 44 1HD LYS 44 -7.047 -16.267 -7.365 305 1HE LYS 44 2HE LYS 44 -8.610 -17.103 -4.954 306 2HE LYS 44 1HE LYS 44 -8.934 -17.947 -6.482 307 1HZ LYS 44 1HZ LYS 44 -7.102 -19.026 -5.408 308 2HZ LYS 44 2HZ LYS 44 -6.287 -17.553 -5.188 309 3HZ LYS 44 3HZ LYS 44 -6.497 -18.184 -6.751 310 H LEU 45 H LEU 45 -4.703 -10.808 -5.755 311 HA LEU 45 HA LEU 45 -2.301 -12.336 -6.625 312 1HB LEU 45 2HB LEU 45 -3.315 -9.516 -6.717 313 2HB LEU 45 1HB LEU 45 -1.577 -9.786 -6.837 314 HG LEU 45 HG LEU 45 -3.665 -11.092 -8.604 315 1HD1 LEU 45 1HD1 LEU 45 -1.666 -9.277 -9.776 316 2HD1 LEU 45 2HD1 LEU 45 -2.796 -8.480 -8.685 317 3HD1 LEU 45 3HD1 LEU 45 -3.400 -9.379 -10.075 318 1HD2 LEU 45 1HD2 LEU 45 -1.977 -12.323 -9.529 319 2HD2 LEU 45 2HD2 LEU 45 -1.165 -12.036 -7.991 320 3HD2 LEU 45 3HD2 LEU 45 -0.810 -11.009 -9.379 321 HA PRO 46 HA PRO 46 -0.364 -11.808 -2.714 322 1HB PRO 46 2HB PRO 46 2.260 -11.881 -3.488 323 2HB PRO 46 1HB PRO 46 1.226 -13.320 -3.458 324 1HG PRO 46 2HG PRO 46 2.093 -11.668 -5.754 325 2HG PRO 46 1HG PRO 46 1.810 -13.410 -5.656 326 1HD PRO 46 2HD PRO 46 0.059 -11.590 -6.756 327 2HD PRO 46 1HD PRO 46 -0.396 -13.199 -6.162 328 H VAL 47 H VAL 47 1.266 -10.233 -1.641 329 HA VAL 47 HA VAL 47 0.644 -7.526 -2.400 330 HB VAL 47 HB VAL 47 2.230 -9.002 -0.347 331 1HG1 VAL 47 1HG1 VAL 47 2.662 -6.074 -0.993 332 2HG1 VAL 47 2HG1 VAL 47 3.884 -7.345 -0.961 333 3HG1 VAL 47 3HG1 VAL 47 3.120 -6.819 0.539 334 1HG2 VAL 47 1HG2 VAL 47 0.366 -8.440 0.781 335 2HG2 VAL 47 2HG2 VAL 47 -0.187 -7.450 -0.568 336 3HG2 VAL 47 3HG2 VAL 47 0.854 -6.749 0.671 337 H ASP 48 H ASP 48 2.818 -9.721 -3.733 338 HA ASP 48 HA ASP 48 5.020 -7.881 -4.222 339 1HB ASP 48 2HB ASP 48 4.207 -10.642 -5.119 340 2HB ASP 48 1HB ASP 48 5.588 -9.829 -5.854 341 H ILE 49 H ILE 49 2.053 -8.841 -5.792 342 HA ILE 49 HA ILE 49 2.762 -7.513 -8.332 343 HB ILE 49 HB ILE 49 0.023 -8.467 -7.497 344 1HG1 ILE 49 2HG1 ILE 49 1.507 -10.274 -6.814 345 2HG1 ILE 49 1HG1 ILE 49 0.684 -10.743 -8.300 346 1HG2 ILE 49 1HG2 ILE 49 -0.186 -7.707 -9.635 347 2HG2 ILE 49 2HG2 ILE 49 0.442 -9.306 -10.033 348 3HG2 ILE 49 3HG2 ILE 49 1.527 -7.916 -9.988 349 1HD1 ILE 49 1HD1 ILE 49 3.220 -11.155 -8.182 350 2HD1 ILE 49 2HD1 ILE 49 3.381 -9.405 -8.353 351 3HD1 ILE 49 3HD1 ILE 49 2.595 -10.349 -9.621 352 H LEU 50 H LEU 50 0.742 -7.057 -5.492 353 HA LEU 50 HA LEU 50 -0.512 -4.597 -6.416 354 1HB LEU 50 2HB LEU 50 -0.154 -5.567 -3.580 355 2HB LEU 50 1HB LEU 50 -1.495 -4.645 -4.257 356 HG LEU 50 HG LEU 50 -0.829 -7.549 -4.739 357 1HD1 LEU 50 1HD1 LEU 50 -2.136 -7.202 -2.759 358 2HD1 LEU 50 2HD1 LEU 50 -3.242 -7.771 -4.012 359 3HD1 LEU 50 3HD1 LEU 50 -3.194 -6.058 -3.589 360 1HD2 LEU 50 1HD2 LEU 50 -1.670 -7.311 -6.818 361 2HD2 LEU 50 2HD2 LEU 50 -2.070 -5.622 -6.514 362 3HD2 LEU 50 3HD2 LEU 50 -3.211 -6.892 -6.071 363 H GLY 51 H GLY 51 2.398 -5.514 -4.692 364 1HA GLY 51 2HA GLY 51 2.957 -2.844 -3.652 365 2HA GLY 51 1HA GLY 51 4.106 -4.189 -3.723 366 H ARG 52 H ARG 52 3.426 -4.598 -6.580 367 HA ARG 52 HA ARG 52 5.227 -2.519 -7.705 368 1HB ARG 52 2HB ARG 52 5.205 -5.256 -7.794 369 2HB ARG 52 1HB ARG 52 4.407 -4.842 -9.312 370 1HG ARG 52 2HG ARG 52 6.321 -3.182 -9.683 371 2HG ARG 52 1HG ARG 52 7.148 -4.013 -8.365 372 1HD ARG 52 2HD ARG 52 6.032 -5.520 -10.739 373 2HD ARG 52 1HD ARG 52 7.679 -4.859 -10.725 374 HE ARG 52 HE ARG 52 6.673 -6.762 -8.634 375 1HH1 ARG 52 1HH2 ARG 52 9.311 -5.038 -8.594 376 2HH1 ARG 52 2HH2 ARG 52 10.463 -6.279 -8.956 377 1HH2 ARG 52 2HH1 ARG 52 8.073 -8.565 -9.996 378 2HH2 ARG 52 1HH1 ARG 52 9.763 -8.275 -9.747 379 H VAL 53 H VAL 53 1.977 -3.923 -8.036 380 HA VAL 53 HA VAL 53 1.379 -2.574 -10.542 381 HB VAL 53 HB VAL 53 -0.188 -3.892 -8.320 382 1HG1 VAL 53 1HG1 VAL 53 -2.092 -2.864 -8.942 383 2HG1 VAL 53 2HG1 VAL 53 -1.852 -3.426 -10.597 384 3HG1 VAL 53 3HG1 VAL 53 -1.189 -1.874 -10.090 385 1HG2 VAL 53 1HG2 VAL 53 -0.431 -5.648 -9.843 386 2HG2 VAL 53 2HG2 VAL 53 1.171 -5.043 -10.266 387 3HG2 VAL 53 3HG2 VAL 53 -0.231 -4.595 -11.247 388 H TRP 54 H TRP 54 1.114 -1.810 -7.118 389 HA TRP 54 HA TRP 54 -0.422 0.611 -7.417 390 1HB TRP 54 2HB TRP 54 -0.342 -0.330 -5.253 391 2HB TRP 54 1HB TRP 54 1.401 -0.603 -5.341 392 HD1 TRP 54 HD1 TRP 54 3.001 1.518 -5.052 393 HE1 TRP 54 HE1 TRP 54 2.626 3.823 -4.011 394 HE3 TRP 54 HE3 TRP 54 -2.081 1.467 -4.666 395 HZ2 TRP 54 HZ2 TRP 54 0.439 5.436 -3.073 396 HZ3 TRP 54 HZ3 TRP 54 -3.289 3.388 -3.665 397 HH2 TRP 54 HH2 TRP 54 -2.037 5.367 -2.874 398 H GLU 55 H GLU 55 3.087 0.100 -6.792 399 HA GLU 55 HA GLU 55 4.032 2.685 -6.963 400 1HB GLU 55 2HB GLU 55 5.081 0.108 -8.126 401 2HB GLU 55 1HB GLU 55 6.042 1.587 -8.044 402 1HG GLU 55 2HG GLU 55 4.718 0.963 -5.521 403 2HG GLU 55 1HG GLU 55 5.832 -0.302 -6.040 404 H LEU 56 H LEU 56 3.939 0.585 -9.855 405 HA LEU 56 HA LEU 56 4.343 2.654 -11.747 406 1HB LEU 56 2HB LEU 56 2.739 0.080 -11.973 407 2HB LEU 56 1HB LEU 56 3.372 1.003 -13.336 408 HG LEU 56 HG LEU 56 5.343 0.268 -11.237 409 1HD1 LEU 56 1HD1 LEU 56 5.067 -1.913 -13.124 410 2HD1 LEU 56 2HD1 LEU 56 3.584 -1.708 -12.194 411 3HD1 LEU 56 3HD1 LEU 56 5.116 -1.969 -11.362 412 1HD2 LEU 56 1HD2 LEU 56 6.664 0.926 -12.950 413 2HD2 LEU 56 2HD2 LEU 56 5.269 1.038 -14.022 414 3HD2 LEU 56 3HD2 LEU 56 6.133 -0.490 -13.857 415 H SER 57 H SER 57 1.578 1.858 -9.833 416 HA SER 57 HA SER 57 -0.309 3.397 -11.527 417 1HB SER 57 2HB SER 57 -0.515 1.842 -8.934 418 2HB SER 57 1HB SER 57 -1.880 2.679 -9.669 419 HG SER 57 HG SER 57 -1.650 1.378 -11.479 420 H ASP 58 H ASP 58 1.770 3.795 -8.790 421 HA ASP 58 HA ASP 58 0.391 6.259 -7.858 422 1HB ASP 58 2HB ASP 58 1.151 4.632 -6.205 423 2HB ASP 58 1HB ASP 58 2.779 4.660 -6.886 424 H ILE 59 H ILE 59 0.921 7.551 -9.797 425 HA ILE 59 HA ILE 59 3.785 7.986 -10.395 426 HB ILE 59 HB ILE 59 1.157 8.949 -11.543 427 1HG1 ILE 59 2HG1 ILE 59 3.268 7.287 -12.909 428 2HG1 ILE 59 1HG1 ILE 59 2.124 6.523 -11.806 429 1HG2 ILE 59 1HG2 ILE 59 2.417 10.709 -12.283 430 2HG2 ILE 59 2HG2 ILE 59 3.016 9.527 -13.448 431 3HG2 ILE 59 3HG2 ILE 59 3.939 9.870 -11.985 432 1HD1 ILE 59 1HD1 ILE 59 1.683 7.047 -14.501 433 2HD1 ILE 59 2HD1 ILE 59 0.807 8.339 -13.682 434 3HD1 ILE 59 3HD1 ILE 59 0.442 6.652 -13.314 435 H ASP 60 H ASP 60 1.352 9.381 -8.406 436 HA ASP 60 HA ASP 60 2.596 12.075 -8.416 437 1HB ASP 60 2HB ASP 60 0.345 10.989 -6.704 438 2HB ASP 60 1HB ASP 60 0.665 12.673 -7.119 439 H HIS 61 H HIS 61 2.889 9.098 -6.778 440 HA HIS 61 HA HIS 61 4.123 8.461 -4.862 441 1HB HIS 61 2HB HIS 61 5.339 11.221 -5.110 442 2HB HIS 61 1HB HIS 61 6.113 9.742 -4.541 443 HD1 HIS 61 HD1 HIS 61 7.159 11.467 -6.987 444 HD2 HIS 61 HD2 HIS 61 4.846 8.013 -7.287 445 HE1 HIS 61 HE1 HIS 61 7.578 10.523 -9.299 446 H ASP 62 H ASP 62 1.572 9.479 -4.248 447 HA ASP 62 HA ASP 62 2.131 11.006 -1.725 448 1HB ASP 62 2HB ASP 62 -0.062 12.116 -2.146 449 2HB ASP 62 1HB ASP 62 1.082 12.414 -3.453 450 H GLY 63 H GLY 63 1.759 8.046 -2.398 451 1HA GLY 63 2HA GLY 63 0.671 6.202 -1.433 452 2HA GLY 63 1HA GLY 63 0.230 7.293 -0.119 453 H MET 64 H MET 64 -0.663 7.650 -3.541 454 HA MET 64 HA MET 64 -3.476 6.912 -2.893 455 1HB MET 64 2HB MET 64 -2.429 9.627 -3.679 456 2HB MET 64 1HB MET 64 -4.115 9.182 -3.911 457 1HG MET 64 2HG MET 64 -4.452 8.871 -1.574 458 2HG MET 64 1HG MET 64 -2.718 8.948 -1.245 459 1HE MET 64 1HE MET 64 -5.230 11.484 0.099 460 2HE MET 64 2HE MET 64 -5.711 10.148 -0.945 461 3HE MET 64 3HE MET 64 -5.930 11.808 -1.494 462 H LEU 65 H LEU 65 -4.841 6.810 -4.821 463 HA LEU 65 HA LEU 65 -3.325 6.603 -7.403 464 1HB LEU 65 2HB LEU 65 -5.318 4.794 -6.041 465 2HB LEU 65 1HB LEU 65 -5.169 4.769 -7.798 466 HG LEU 65 HG LEU 65 -2.969 4.241 -5.787 467 1HD1 LEU 65 1HD1 LEU 65 -3.267 2.028 -6.243 468 2HD1 LEU 65 2HD1 LEU 65 -3.584 2.329 -7.953 469 3HD1 LEU 65 3HD1 LEU 65 -4.875 2.531 -6.767 470 1HD2 LEU 65 1HD2 LEU 65 -2.935 4.691 -8.769 471 2HD2 LEU 65 2HD2 LEU 65 -1.697 3.710 -7.987 472 3HD2 LEU 65 3HD2 LEU 65 -1.893 5.405 -7.540 473 H ASP 66 H ASP 66 -4.069 8.518 -8.391 474 HA ASP 66 HA ASP 66 -6.739 9.551 -8.004 475 1HB ASP 66 2HB ASP 66 -5.998 11.260 -9.463 476 2HB ASP 66 1HB ASP 66 -4.522 10.712 -8.669 477 H ARG 67 H ARG 67 -8.358 9.775 -9.721 478 HA ARG 67 HA ARG 67 -9.457 7.541 -10.803 479 1HB ARG 67 2HB ARG 67 -10.378 9.066 -12.567 480 2HB ARG 67 1HB ARG 67 -10.427 9.772 -10.950 481 1HG ARG 67 2HG ARG 67 -8.041 10.691 -11.618 482 2HG ARG 67 1HG ARG 67 -8.641 10.451 -13.260 483 1HD ARG 67 2HD ARG 67 -10.572 11.780 -11.460 484 2HD ARG 67 1HD ARG 67 -9.103 12.720 -11.793 485 HE ARG 67 HE ARG 67 -9.969 11.559 -14.240 486 1HH1 ARG 67 1HH2 ARG 67 -10.071 14.363 -12.367 487 2HH1 ARG 67 2HH2 ARG 67 -11.324 15.131 -13.284 488 1HH2 ARG 67 2HH1 ARG 67 -11.971 12.338 -15.235 489 2HH2 ARG 67 1HH1 ARG 67 -12.400 13.984 -14.908 490 H ASP 68 H ASP 68 -6.910 9.428 -12.453 491 HA ASP 68 HA ASP 68 -6.817 7.572 -14.713 492 1HB ASP 68 2HB ASP 68 -6.261 10.145 -14.477 493 2HB ASP 68 1HB ASP 68 -4.662 9.550 -14.029 494 H GLU 69 H GLU 69 -5.005 8.029 -11.722 495 HA GLU 69 HA GLU 69 -2.866 6.197 -12.469 496 1HB GLU 69 2HB GLU 69 -3.793 7.729 -10.082 497 2HB GLU 69 1HB GLU 69 -2.725 6.353 -9.792 498 1HG GLU 69 2HG GLU 69 -1.053 7.247 -11.283 499 2HG GLU 69 1HG GLU 69 -2.141 8.533 -11.805 500 H PHE 70 H PHE 70 -5.774 6.010 -10.417 501 HA PHE 70 HA PHE 70 -5.485 3.311 -9.577 502 1HB PHE 70 2HB PHE 70 -7.124 5.071 -8.777 503 2HB PHE 70 1HB PHE 70 -8.040 4.805 -10.262 504 HD1 PHE 70 HD1 PHE 70 -7.340 3.606 -6.931 505 HD2 PHE 70 HD2 PHE 70 -8.890 2.456 -10.769 506 HE1 PHE 70 HE1 PHE 70 -8.428 1.631 -5.900 507 HE2 PHE 70 HE2 PHE 70 -9.979 0.483 -9.737 508 HZ PHE 70 HZ PHE 70 -9.739 0.071 -7.302 509 H ALA 71 H ALA 71 -6.191 4.705 -12.665 510 HA ALA 71 HA ALA 71 -7.588 2.403 -13.798 511 1HB ALA 71 1HB ALA 71 -7.562 4.893 -14.507 512 2HB ALA 71 2HB ALA 71 -7.481 3.693 -15.798 513 3HB ALA 71 3HB ALA 71 -6.015 4.523 -15.271 514 H VAL 72 H VAL 72 -4.265 3.661 -13.947 515 HA VAL 72 HA VAL 72 -3.137 1.652 -15.619 516 HB VAL 72 HB VAL 72 -1.936 3.220 -13.307 517 1HG1 VAL 72 1HG1 VAL 72 -0.079 2.863 -15.392 518 2HG1 VAL 72 2HG1 VAL 72 -0.839 1.288 -15.163 519 3HG1 VAL 72 3HG1 VAL 72 -0.053 2.092 -13.805 520 1HG2 VAL 72 1HG2 VAL 72 -3.173 4.442 -15.271 521 2HG2 VAL 72 2HG2 VAL 72 -1.762 3.976 -16.220 522 3HG2 VAL 72 3HG2 VAL 72 -1.566 5.002 -14.798 523 H ALA 73 H ALA 73 -4.029 1.662 -12.236 524 HA ALA 73 HA ALA 73 -2.551 -0.829 -11.622 525 1HB ALA 73 1HB ALA 73 -4.550 0.406 -9.791 526 2HB ALA 73 2HB ALA 73 -3.150 1.391 -10.225 527 3HB ALA 73 3HB ALA 73 -2.920 -0.175 -9.444 528 H MET 74 H MET 74 -5.548 -0.079 -13.020 529 HA MET 74 HA MET 74 -7.068 -2.261 -11.752 530 1HB MET 74 2HB MET 74 -7.463 -0.115 -13.801 531 2HB MET 74 1HB MET 74 -8.564 -1.490 -13.835 532 1HG MET 74 2HG MET 74 -7.992 0.031 -11.290 533 2HG MET 74 1HG MET 74 -9.275 0.515 -12.399 534 1HE MET 74 1HE MET 74 -8.009 -2.727 -10.196 535 2HE MET 74 2HE MET 74 -9.350 -2.355 -9.117 536 3HE MET 74 3HE MET 74 -8.221 -1.083 -9.581 537 H PHE 75 H PHE 75 -5.756 -1.582 -15.006 538 HA PHE 75 HA PHE 75 -6.363 -4.268 -15.958 539 1HB PHE 75 2HB PHE 75 -5.504 -3.441 -17.982 540 2HB PHE 75 1HB PHE 75 -5.999 -1.947 -17.187 541 HD1 PHE 75 HD1 PHE 75 -3.091 -4.192 -17.787 542 HD2 PHE 75 HD2 PHE 75 -4.425 -0.285 -16.608 543 HE1 PHE 75 HE1 PHE 75 -0.752 -3.378 -17.851 544 HE2 PHE 75 HE2 PHE 75 -2.093 0.532 -16.674 545 HZ PHE 75 HZ PHE 75 -0.248 -1.020 -17.291 546 H LEU 76 H LEU 76 -3.743 -2.619 -14.353 547 HA LEU 76 HA LEU 76 -1.628 -4.519 -14.768 548 1HB LEU 76 2HB LEU 76 -2.341 -2.284 -12.930 549 2HB LEU 76 1HB LEU 76 -1.092 -3.394 -12.369 550 HG LEU 76 HG LEU 76 -1.081 -1.911 -15.011 551 1HD1 LEU 76 1HD1 LEU 76 0.286 -0.354 -14.046 552 2HD1 LEU 76 2HD1 LEU 76 1.049 -1.535 -12.984 553 3HD1 LEU 76 3HD1 LEU 76 -0.527 -0.865 -12.569 554 1HD2 LEU 76 1HD2 LEU 76 0.252 -4.297 -14.162 555 2HD2 LEU 76 2HD2 LEU 76 1.452 -3.010 -14.275 556 3HD2 LEU 76 3HD2 LEU 76 0.459 -3.415 -15.675 557 H VAL 77 H VAL 77 -4.399 -4.361 -12.645 558 HA VAL 77 HA VAL 77 -3.481 -6.637 -10.994 559 HB VAL 77 HB VAL 77 -5.873 -4.760 -11.038 560 1HG1 VAL 77 1HG1 VAL 77 -5.698 -6.286 -8.606 561 2HG1 VAL 77 2HG1 VAL 77 -5.770 -7.407 -9.966 562 3HG1 VAL 77 3HG1 VAL 77 -7.038 -6.200 -9.749 563 1HG2 VAL 77 1HG2 VAL 77 -4.761 -3.601 -9.418 564 2HG2 VAL 77 2HG2 VAL 77 -3.336 -4.404 -10.076 565 3HG2 VAL 77 3HG2 VAL 77 -4.142 -5.064 -8.653 566 H TYR 78 H TYR 78 -5.583 -6.009 -13.718 567 HA TYR 78 HA TYR 78 -6.987 -8.591 -13.417 568 1HB TYR 78 2HB TYR 78 -7.160 -6.119 -15.043 569 2HB TYR 78 1HB TYR 78 -7.665 -7.596 -15.866 570 HD1 TYR 78 HD1 TYR 78 -8.949 -4.962 -14.108 571 HD2 TYR 78 HD2 TYR 78 -8.956 -9.258 -14.024 572 HE1 TYR 78 HE1 TYR 78 -11.086 -4.930 -12.854 573 HE2 TYR 78 HE2 TYR 78 -11.100 -9.225 -12.770 574 HH TYR 78 HH TYR 78 -12.214 -6.973 -11.098 575 H CYS 79 H CYS 79 -4.238 -7.253 -15.076 576 HA CYS 79 HA CYS 79 -4.056 -9.430 -17.052 577 1HB CYS 79 2HB CYS 79 -2.673 -6.896 -16.327 578 2HB CYS 79 1HB CYS 79 -1.674 -8.120 -17.111 579 HG CYS 79 HG CYS 79 -3.607 -8.159 -19.028 580 H ALA 80 H ALA 80 -3.195 -8.936 -13.765 581 HA ALA 80 HA ALA 80 -0.883 -10.780 -13.821 582 1HB ALA 80 1HB ALA 80 -1.176 -10.346 -11.266 583 2HB ALA 80 2HB ALA 80 -2.375 -9.148 -11.760 584 3HB ALA 80 3HB ALA 80 -0.697 -8.986 -12.282 585 H LEU 81 H LEU 81 -4.280 -10.918 -13.572 586 HA LEU 81 HA LEU 81 -4.356 -13.453 -12.035 587 1HB LEU 81 2HB LEU 81 -6.656 -12.125 -13.456 588 2HB LEU 81 1HB LEU 81 -6.676 -13.027 -11.943 589 HG LEU 81 HG LEU 81 -5.789 -10.208 -12.460 590 1HD1 LEU 81 1HD1 LEU 81 -8.024 -10.398 -11.676 591 2HD1 LEU 81 2HD1 LEU 81 -7.077 -9.950 -10.258 592 3HD1 LEU 81 3HD1 LEU 81 -7.584 -11.624 -10.487 593 1HD2 LEU 81 1HD2 LEU 81 -4.636 -12.153 -10.529 594 2HD2 LEU 81 2HD2 LEU 81 -5.020 -10.554 -9.888 595 3HD2 LEU 81 3HD2 LEU 81 -3.907 -10.718 -11.249 596 H GLU 82 H GLU 82 -4.968 -12.199 -15.274 597 HA GLU 82 HA GLU 82 -5.852 -14.668 -16.456 598 1HB GLU 82 2HB GLU 82 -5.784 -12.039 -17.116 599 2HB GLU 82 1HB GLU 82 -4.400 -12.613 -18.045 600 1HG GLU 82 2HG GLU 82 -6.384 -12.758 -19.432 601 2HG GLU 82 1HG GLU 82 -5.863 -14.393 -19.022 602 H LYS 83 H LYS 83 -2.751 -12.932 -16.733 603 HA LYS 83 HA LYS 83 -1.074 -15.196 -16.306 604 1HB LYS 83 2HB LYS 83 -2.483 -15.560 -18.561 605 2HB LYS 83 1HB LYS 83 -1.126 -14.655 -19.227 606 1HG LYS 83 2HG LYS 83 0.189 -16.473 -19.108 607 2HG LYS 83 1HG LYS 83 -0.124 -16.611 -17.378 608 1HD LYS 83 2HD LYS 83 -2.428 -17.616 -18.181 609 2HD LYS 83 1HD LYS 83 -1.534 -17.940 -19.667 610 1HE LYS 83 2HE LYS 83 0.241 -19.072 -18.249 611 2HE LYS 83 1HE LYS 83 -0.876 -18.934 -16.876 612 1HZ LYS 83 1HZ LYS 83 -1.558 -20.920 -17.751 613 2HZ LYS 83 2HZ LYS 83 -1.152 -20.497 -19.345 614 3HZ LYS 83 3HZ LYS 83 -2.557 -19.869 -18.629 615 H GLU 84 H GLU 84 -1.553 -12.032 -17.726 616 HA GLU 84 HA GLU 84 1.198 -11.488 -18.397 617 1HB GLU 84 2HB GLU 84 -1.400 -10.181 -18.329 618 2HB GLU 84 1HB GLU 84 -0.113 -9.079 -17.839 619 1HG GLU 84 2HG GLU 84 1.173 -9.763 -19.883 620 2HG GLU 84 1HG GLU 84 -0.228 -10.705 -20.396 621 HA PRO 85 HA PRO 85 2.457 -10.997 -14.132 622 1HB PRO 85 2HB PRO 85 5.104 -10.580 -14.690 623 2HB PRO 85 1HB PRO 85 4.364 -12.194 -14.677 624 1HG PRO 85 2HG PRO 85 5.026 -10.435 -16.985 625 2HG PRO 85 1HG PRO 85 5.179 -12.191 -16.824 626 1HD PRO 85 2HD PRO 85 3.142 -10.979 -18.168 627 2HD PRO 85 1HD PRO 85 2.987 -12.564 -17.376 628 H VAL 86 H VAL 86 3.543 -9.155 -12.944 629 HA VAL 86 HA VAL 86 3.117 -6.578 -14.410 630 HB VAL 86 HB VAL 86 2.985 -7.330 -11.473 631 1HG1 VAL 86 1HG1 VAL 86 3.471 -4.811 -12.669 632 2HG1 VAL 86 2HG1 VAL 86 3.064 -5.134 -10.984 633 3HG1 VAL 86 3HG1 VAL 86 1.785 -4.796 -12.151 634 1HG2 VAL 86 1HG2 VAL 86 0.913 -6.756 -13.602 635 2HG2 VAL 86 2HG2 VAL 86 0.540 -6.647 -11.881 636 3HG2 VAL 86 3HG2 VAL 86 1.052 -8.185 -12.576 637 HA PRO 87 HA PRO 87 7.464 -6.080 -13.595 638 1HB PRO 87 2HB PRO 87 7.797 -3.926 -15.240 639 2HB PRO 87 1HB PRO 87 7.655 -5.584 -15.849 640 1HG PRO 87 2HG PRO 87 5.750 -3.381 -16.018 641 2HG PRO 87 1HG PRO 87 5.814 -4.888 -16.940 642 1HD PRO 87 2HD PRO 87 4.142 -4.224 -14.693 643 2HD PRO 87 1HD PRO 87 4.128 -5.697 -15.687 644 H MET 88 H MET 88 8.615 -3.552 -13.558 645 HA MET 88 HA MET 88 7.079 -2.079 -11.448 646 1HB MET 88 2HB MET 88 9.846 -1.702 -11.034 647 2HB MET 88 1HB MET 88 8.726 -2.559 -9.986 648 1HG MET 88 2HG MET 88 9.517 -4.610 -10.629 649 2HG MET 88 1HG MET 88 9.726 -4.128 -12.305 650 1HE MET 88 1HE MET 88 12.297 -2.043 -12.715 651 2HE MET 88 2HE MET 88 11.233 -3.297 -13.345 652 3HE MET 88 3HE MET 88 12.927 -3.665 -13.031 653 H SER 89 H SER 89 8.324 -1.933 -14.481 654 HA SER 89 HA SER 89 9.361 0.849 -14.185 655 1HB SER 89 2HB SER 89 9.513 -1.198 -16.396 656 2HB SER 89 1HB SER 89 10.242 0.401 -16.465 657 HG SER 89 HG SER 89 11.802 -0.298 -15.246 658 H LEU 90 H LEU 90 7.600 2.157 -14.245 659 HA LEU 90 HA LEU 90 5.195 1.877 -15.690 660 1HB LEU 90 2HB LEU 90 6.817 4.034 -14.483 661 2HB LEU 90 1HB LEU 90 5.704 4.581 -15.738 662 HG LEU 90 HG LEU 90 4.844 2.764 -13.485 663 1HD1 LEU 90 1HD1 LEU 90 4.809 5.789 -13.652 664 2HD1 LEU 90 2HD1 LEU 90 5.635 4.802 -12.446 665 3HD1 LEU 90 3HD1 LEU 90 3.872 4.861 -12.480 666 1HD2 LEU 90 1HD2 LEU 90 2.745 4.382 -14.381 667 2HD2 LEU 90 2HD2 LEU 90 2.991 2.681 -14.775 668 3HD2 LEU 90 3HD2 LEU 90 3.611 3.934 -15.851 669 HA PRO 91 HA PRO 91 7.200 2.054 -19.738 670 1HB PRO 91 2HB PRO 91 5.019 1.123 -21.117 671 2HB PRO 91 1HB PRO 91 6.172 0.060 -20.283 672 1HG PRO 91 2HG PRO 91 3.488 0.988 -19.410 673 2HG PRO 91 1HG PRO 91 4.250 -0.594 -19.213 674 1HD PRO 91 2HD PRO 91 4.085 1.244 -17.213 675 2HD PRO 91 1HD PRO 91 5.391 0.046 -17.332 676 HA PRO 92 HA PRO 92 5.574 5.834 -21.192 677 1HB PRO 92 2HB PRO 92 5.912 5.630 -23.901 678 2HB PRO 92 1HB PRO 92 7.261 5.855 -22.767 679 1HG PRO 92 2HG PRO 92 6.317 3.381 -24.120 680 2HG PRO 92 1HG PRO 92 7.965 3.908 -23.747 681 1HD PRO 92 2HD PRO 92 6.593 2.036 -22.293 682 2HD PRO 92 1HD PRO 92 7.901 3.042 -21.636 683 H ALA 93 H ALA 93 4.197 2.911 -22.575 684 HA ALA 93 HA ALA 93 1.915 4.336 -23.766 685 1HB ALA 93 1HB ALA 93 1.362 1.608 -23.641 686 2HB ALA 93 2HB ALA 93 3.124 1.668 -23.729 687 3HB ALA 93 3HB ALA 93 2.153 2.433 -24.987 688 H LEU 94 H LEU 94 2.742 3.796 -20.652 689 HA LEU 94 HA LEU 94 -0.050 3.101 -19.814 690 1HB LEU 94 2HB LEU 94 2.707 2.528 -18.789 691 2HB LEU 94 1HB LEU 94 1.388 2.612 -17.623 692 HG LEU 94 HG LEU 94 1.798 0.302 -18.507 693 1HD1 LEU 94 1HD1 LEU 94 -0.639 -0.078 -19.122 694 2HD1 LEU 94 2HD1 LEU 94 -0.848 1.671 -19.046 695 3HD1 LEU 94 3HD1 LEU 94 -0.371 0.781 -17.607 696 1HD2 LEU 94 1HD2 LEU 94 0.622 1.356 -21.081 697 2HD2 LEU 94 2HD2 LEU 94 1.355 -0.218 -20.791 698 3HD2 LEU 94 3HD2 LEU 94 2.360 1.233 -20.843 699 H VAL 95 H VAL 95 2.025 5.708 -20.079 700 HA VAL 95 HA VAL 95 1.054 6.965 -17.552 701 HB VAL 95 HB VAL 95 3.006 8.434 -17.900 702 1HG1 VAL 95 1HG1 VAL 95 3.464 6.491 -16.608 703 2HG1 VAL 95 2HG1 VAL 95 4.766 6.574 -17.794 704 3HG1 VAL 95 3HG1 VAL 95 3.428 5.449 -18.030 705 1HG2 VAL 95 1HG2 VAL 95 2.933 8.348 -20.401 706 2HG2 VAL 95 2HG2 VAL 95 3.551 6.698 -20.324 707 3HG2 VAL 95 3HG2 VAL 95 4.541 8.037 -19.748 708 HA PRO 96 HA PRO 96 -1.479 9.626 -20.022 709 1HB PRO 96 2HB PRO 96 -1.963 11.505 -18.080 710 2HB PRO 96 1HB PRO 96 -2.768 9.924 -18.116 711 1HG PRO 96 2HG PRO 96 -0.441 10.827 -16.487 712 2HG PRO 96 1HG PRO 96 -1.817 9.813 -16.022 713 1HD PRO 96 2HD PRO 96 0.629 8.797 -16.603 714 2HD PRO 96 1HD PRO 96 -0.882 7.904 -16.903 715 HA PRO 97 HA PRO 97 1.104 12.938 -21.326 716 1HB PRO 97 2HB PRO 97 -0.536 15.126 -21.487 717 2HB PRO 97 1HB PRO 97 -0.607 13.772 -22.634 718 1HG PRO 97 2HG PRO 97 -2.347 14.357 -20.289 719 2HG PRO 97 1HG PRO 97 -2.783 13.737 -21.890 720 1HD PRO 97 2HD PRO 97 -2.570 12.152 -19.695 721 2HD PRO 97 1HD PRO 97 -2.245 11.572 -21.343 722 H SER 98 H SER 98 -0.409 13.170 -18.262 723 HA SER 98 HA SER 98 0.841 15.697 -17.462 724 1HB SER 98 2HB SER 98 -1.328 14.434 -16.627 725 2HB SER 98 1HB SER 98 -0.190 13.590 -15.580 726 HG SER 98 HG SER 98 -0.820 16.339 -15.708 727 H LYS 99 H LYS 99 1.854 12.470 -17.813 728 HA LYS 99 HA LYS 99 3.943 12.605 -15.722 729 1HB LYS 99 2HB LYS 99 2.963 10.471 -15.980 730 2HB LYS 99 1HB LYS 99 2.913 10.608 -17.736 731 1HG LYS 99 2HG LYS 99 4.677 9.047 -17.122 732 2HG LYS 99 1HG LYS 99 5.414 10.512 -17.769 733 1HD LYS 99 2HD LYS 99 6.098 11.257 -15.644 734 2HD LYS 99 1HD LYS 99 4.949 10.212 -14.808 735 1HE LYS 99 2HE LYS 99 6.247 8.219 -15.678 736 2HE LYS 99 1HE LYS 99 7.474 9.358 -16.263 737 1HZ LYS 99 1HZ LYS 99 8.284 9.318 -14.200 738 2HZ LYS 99 2HZ LYS 99 6.923 8.511 -13.582 739 3HZ LYS 99 3HZ LYS 99 6.919 10.205 -13.725 740 H ARG 100 H ARG 100 3.524 13.753 -18.861 741 HA ARG 100 HA ARG 100 6.242 13.240 -19.852 742 1HB ARG 100 2HB ARG 100 3.729 14.597 -20.725 743 2HB ARG 100 1HB ARG 100 5.230 15.078 -21.515 744 1HG ARG 100 2HG ARG 100 4.085 13.205 -22.699 745 2HG ARG 100 1HG ARG 100 5.694 12.764 -22.129 746 1HD ARG 100 2HD ARG 100 4.677 11.703 -20.120 747 2HD ARG 100 1HD ARG 100 3.066 12.088 -20.761 748 HE ARG 100 HE ARG 100 3.337 10.282 -22.250 749 1HH1 ARG 100 1HH2 ARG 100 6.097 10.276 -20.428 750 2HH1 ARG 100 2HH2 ARG 100 7.150 9.665 -21.661 751 1HH2 ARG 100 2HH1 ARG 100 4.823 10.030 -24.205 752 2HH2 ARG 100 1HH1 ARG 100 6.429 9.525 -23.796 753 H SER 107 1H SER 107 8.592 3.428 -4.172 754 HA SER 107 HA SER 107 9.532 2.541 -2.133 755 1HB SER 107 2HB SER 107 9.938 4.820 -2.344 756 2HB SER 107 1HB SER 107 8.224 5.228 -2.353 757 HG SER 107 HG SER 107 9.425 4.095 -0.070 758 H THR 108 H THR 108 8.960 1.210 -0.481 759 HA THR 108 HA THR 108 7.760 0.313 1.339 760 HB THR 108 HB THR 108 6.344 2.993 1.236 761 HG1 THR 108 HG1 THR 108 8.604 2.403 2.794 762 1HG2 THR 108 1HG2 THR 108 5.693 0.923 2.786 763 2HG2 THR 108 2HG2 THR 108 5.661 2.578 3.394 764 3HG2 THR 108 3HG2 THR 108 7.040 1.536 3.744 765 H ASN 109 H ASN 109 5.324 2.319 -0.395 766 HA ASN 109 HA ASN 109 3.248 1.698 -1.355 767 1HB ASN 109 2HB ASN 109 4.473 -1.054 -1.339 768 2HB ASN 109 1HB ASN 109 3.302 -0.402 -2.478 769 1HD2 ASN 109 1HD2 ASN 109 5.257 -1.343 -3.860 770 2HD2 ASN 109 2HD2 ASN 109 6.451 -0.216 -4.287 771 HA PRO 110 HA PRO 110 1.158 0.086 2.200 772 1HB PRO 110 2HB PRO 110 -1.326 -0.333 1.120 773 2HB PRO 110 1HB PRO 110 -0.708 1.274 1.544 774 1HG PRO 110 2HG PRO 110 -0.923 -0.032 -1.098 775 2HG PRO 110 1HG PRO 110 -1.107 1.668 -0.664 776 1HD PRO 110 2HD PRO 110 1.149 0.609 -1.840 777 2HD PRO 110 1HD PRO 110 1.120 2.099 -0.876 778 H PHE 111 H PHE 111 2.008 -1.702 -0.509 779 HA PHE 111 HA PHE 111 0.836 -4.245 0.567 780 1HB PHE 111 2HB PHE 111 2.295 -3.995 -2.059 781 2HB PHE 111 1HB PHE 111 0.985 -5.089 -1.623 782 HD1 PHE 111 HD1 PHE 111 1.792 -1.528 -2.325 783 HD2 PHE 111 HD2 PHE 111 -1.296 -4.509 -2.059 784 HE1 PHE 111 HE1 PHE 111 0.160 0.059 -3.278 785 HE2 PHE 111 HE2 PHE 111 -2.915 -2.909 -3.020 786 HZ PHE 111 HZ PHE 111 -2.184 -0.619 -3.624 787 H ARG 112 HN ARG 112 3.809 -3.310 -1.155 788 HA ARG 112 HA ARG 112 5.544 -5.290 -0.298 789 1HB ARG 112 2HB ARG 112 5.728 -2.431 -1.077 790 2HB ARG 112 1HB ARG 112 7.155 -3.102 -0.288 791 1HG ARG 112 2HG ARG 112 6.071 -4.941 -2.267 792 2HG ARG 112 1HG ARG 112 6.472 -3.381 -2.985 793 1HD ARG 112 2HD ARG 112 8.636 -3.876 -1.303 794 2HD ARG 112 1HD ARG 112 8.273 -5.466 -2.004 795 HE ARG 112 HE ARG 112 8.688 -3.000 -3.656 796 1HH1 ARG 112 1HH2 ARG 112 7.789 -6.224 -3.807 797 2HH1 ARG 112 2HH2 ARG 112 8.934 -6.672 -5.026 798 1HH2 ARG 112 1HH1 ARG 112 10.616 -3.641 -4.936 799 2HH2 ARG 112 2HH1 ARG 112 10.535 -5.210 -5.666 Start of MODEL 10 1 HA PRO 6 HA PRO 6 -2.718 6.725 -26.840 2 1HB PRO 6 1HB PRO 6 -3.401 5.285 -28.512 3 2HB PRO 6 2HB PRO 6 -3.293 4.076 -27.217 4 1HG PRO 6 2HG PRO 6 -1.270 3.288 -27.960 5 2HG PRO 6 1HG PRO 6 -1.912 3.857 -29.508 6 1HD PRO 6 2HD PRO 6 0.460 4.703 -28.431 7 2HD PRO 6 1HD PRO 6 -0.513 5.659 -29.570 8 H TRP 7 H TRP 7 -3.678 5.846 -24.886 9 HA TRP 7 HA TRP 7 -1.696 4.993 -22.874 10 1HB TRP 7 2HB TRP 7 -3.377 6.752 -22.468 11 2HB TRP 7 1HB TRP 7 -4.673 5.603 -22.795 12 HD1 TRP 7 HD1 TRP 7 -1.710 4.303 -20.883 13 HE1 TRP 7 HE1 TRP 7 -2.379 3.904 -18.423 14 HE3 TRP 7 HE3 TRP 7 -6.289 6.541 -20.854 15 HZ2 TRP 7 HZ2 TRP 7 -4.579 4.467 -16.675 16 HZ3 TRP 7 HZ3 TRP 7 -7.652 6.600 -18.790 17 HH2 TRP 7 HH2 TRP 7 -6.806 5.568 -16.699 18 H ALA 8 H ALA 8 -1.476 2.881 -22.220 19 HA ALA 8 HA ALA 8 -2.477 0.641 -23.523 20 1HB ALA 8 1HB ALA 8 -1.935 -0.515 -21.348 21 2HB ALA 8 2HB ALA 8 -1.750 1.078 -20.616 22 3HB ALA 8 3HB ALA 8 -0.668 0.573 -21.915 23 H VAL 9 H VAL 9 -4.107 2.578 -21.074 24 HA VAL 9 HA VAL 9 -6.247 0.555 -20.758 25 HB VAL 9 HB VAL 9 -5.660 3.275 -19.567 26 1HG1 VAL 9 1HG1 VAL 9 -7.898 1.365 -18.836 27 2HG1 VAL 9 2HG1 VAL 9 -8.122 2.837 -19.781 28 3HG1 VAL 9 3HG1 VAL 9 -7.572 2.939 -18.108 29 1HG2 VAL 9 1HG2 VAL 9 -5.693 0.478 -18.379 30 2HG2 VAL 9 2HG2 VAL 9 -5.252 1.961 -17.532 31 3HG2 VAL 9 3HG2 VAL 9 -4.237 1.362 -18.844 32 H LYS 10 H LYS 10 -8.380 0.883 -21.444 33 HA LYS 10 HA LYS 10 -8.740 2.952 -23.569 34 1HB LYS 10 2HB LYS 10 -9.578 0.172 -23.031 35 2HB LYS 10 1HB LYS 10 -10.859 1.191 -23.686 36 1HG LYS 10 2HG LYS 10 -8.766 1.920 -25.277 37 2HG LYS 10 1HG LYS 10 -8.377 0.227 -24.971 38 1HD LYS 10 2HD LYS 10 -10.754 -0.339 -25.617 39 2HD LYS 10 1HD LYS 10 -10.940 1.335 -26.137 40 1HE LYS 10 2HE LYS 10 -8.721 -0.454 -27.172 41 2HE LYS 10 1HE LYS 10 -10.282 -0.271 -27.995 42 1HZ LYS 10 1HZ LYS 10 -8.388 1.905 -27.281 43 2HZ LYS 10 2HZ LYS 10 -9.946 2.155 -27.910 44 3HZ LYS 10 3HZ LYS 10 -8.765 1.369 -28.844 45 HA PRO 11 HA PRO 11 -11.893 5.076 -21.359 46 1HB PRO 11 2HB PRO 11 -14.083 5.062 -23.013 47 2HB PRO 11 1HB PRO 11 -12.647 6.064 -23.310 48 1HG PRO 11 2HG PRO 11 -13.410 3.443 -24.513 49 2HG PRO 11 1HG PRO 11 -12.707 4.875 -25.285 50 1HD PRO 11 2HD PRO 11 -11.225 2.715 -24.642 51 2HD PRO 11 1HD PRO 11 -10.568 4.367 -24.594 52 H GLU 12 H GLU 12 -12.998 2.005 -22.753 53 HA GLU 12 HA GLU 12 -15.234 1.674 -20.921 54 1HB GLU 12 2HB GLU 12 -15.303 -0.561 -21.945 55 2HB GLU 12 1HB GLU 12 -15.025 0.657 -23.191 56 1HG GLU 12 2HG GLU 12 -12.663 0.174 -23.241 57 2HG GLU 12 1HG GLU 12 -12.796 -0.877 -21.831 58 H ASP 13 H ASP 13 -11.817 0.832 -20.899 59 HA ASP 13 HA ASP 13 -12.051 -0.972 -18.595 60 1HB ASP 13 2HB ASP 13 -9.741 0.308 -20.097 61 2HB ASP 13 1HB ASP 13 -9.535 -0.882 -18.809 62 H LYS 14 H LYS 14 -11.221 2.390 -19.255 63 HA LYS 14 HA LYS 14 -10.326 2.941 -16.533 64 1HB LYS 14 2HB LYS 14 -9.833 4.090 -18.869 65 2HB LYS 14 1HB LYS 14 -11.278 5.024 -18.471 66 1HG LYS 14 2HG LYS 14 -9.051 4.684 -16.467 67 2HG LYS 14 1HG LYS 14 -8.990 5.955 -17.688 68 1HD LYS 14 2HD LYS 14 -11.451 6.439 -16.859 69 2HD LYS 14 1HD LYS 14 -10.892 5.621 -15.398 70 1HE LYS 14 2HE LYS 14 -9.365 7.292 -14.886 71 2HE LYS 14 1HE LYS 14 -9.144 7.751 -16.586 72 1HZ LYS 14 1HZ LYS 14 -10.502 9.419 -15.661 73 2HZ LYS 14 2HZ LYS 14 -11.476 8.294 -14.839 74 3HZ LYS 14 3HZ LYS 14 -11.560 8.420 -16.530 75 H ALA 15 H ALA 15 -13.338 2.576 -18.094 76 HA ALA 15 HA ALA 15 -14.876 4.415 -16.408 77 1HB ALA 15 1HB ALA 15 -15.232 3.154 -18.821 78 2HB ALA 15 2HB ALA 15 -16.541 3.870 -17.882 79 3HB ALA 15 3HB ALA 15 -16.209 2.142 -17.756 80 H LYS 16 H LYS 16 -14.239 0.909 -16.565 81 HA LYS 16 HA LYS 16 -15.858 0.302 -14.228 82 1HB LYS 16 2HB LYS 16 -15.331 -1.861 -14.814 83 2HB LYS 16 1HB LYS 16 -14.832 -1.094 -16.318 84 1HG LYS 16 2HG LYS 16 -12.535 -1.004 -15.578 85 2HG LYS 16 1HG LYS 16 -12.988 -1.585 -13.975 86 1HD LYS 16 2HD LYS 16 -12.163 -3.506 -15.107 87 2HD LYS 16 1HD LYS 16 -13.918 -3.659 -15.171 88 1HE LYS 16 2HE LYS 16 -13.163 -2.117 -17.439 89 2HE LYS 16 1HE LYS 16 -12.072 -3.515 -17.372 90 1HZ LYS 16 1HZ LYS 16 -15.028 -3.632 -17.089 91 2HZ LYS 16 2HZ LYS 16 -13.969 -4.958 -17.048 92 3HZ LYS 16 3HZ LYS 16 -14.166 -4.068 -18.482 93 H TYR 17 H TYR 17 -12.596 1.360 -14.861 94 HA TYR 17 HA TYR 17 -11.470 0.704 -12.254 95 1HB TYR 17 2HB TYR 17 -10.723 2.729 -14.402 96 2HB TYR 17 1HB TYR 17 -9.693 2.285 -13.046 97 HD1 TYR 17 HD1 TYR 17 -11.455 -0.602 -13.861 98 HD2 TYR 17 HD2 TYR 17 -8.276 1.872 -15.339 99 HE1 TYR 17 HE1 TYR 17 -10.585 -2.510 -15.177 100 HE2 TYR 17 HE2 TYR 17 -7.389 -0.040 -16.648 101 HH TYR 17 HH TYR 17 -9.158 -2.787 -17.289 102 H ASP 18 H ASP 18 -13.104 3.454 -13.744 103 HA ASP 18 HA ASP 18 -12.696 5.326 -11.575 104 1HB ASP 18 2HB ASP 18 -13.336 5.661 -14.072 105 2HB ASP 18 1HB ASP 18 -14.983 5.305 -13.552 106 H ALA 19 H ALA 19 -14.942 2.719 -12.166 107 HA ALA 19 HA ALA 19 -16.936 3.615 -10.218 108 1HB ALA 19 1HB ALA 19 -16.407 1.311 -12.031 109 2HB ALA 19 2HB ALA 19 -17.902 2.212 -11.775 110 3HB ALA 19 3HB ALA 19 -17.406 0.976 -10.617 111 H ILE 20 H ILE 20 -14.138 1.471 -10.350 112 HA ILE 20 HA ILE 20 -14.492 0.445 -7.644 113 HB ILE 20 HB ILE 20 -12.289 0.407 -9.729 114 1HG1 ILE 20 2HG1 ILE 20 -13.852 -1.958 -8.721 115 2HG1 ILE 20 1HG1 ILE 20 -14.567 -0.887 -9.927 116 1HG2 ILE 20 1HG2 ILE 20 -10.966 -0.915 -8.350 117 2HG2 ILE 20 2HG2 ILE 20 -12.325 -1.397 -7.335 118 3HG2 ILE 20 3HG2 ILE 20 -11.645 0.222 -7.186 119 1HD1 ILE 20 1HD1 ILE 20 -12.360 -1.181 -11.233 120 2HD1 ILE 20 2HD1 ILE 20 -13.470 -2.552 -11.206 121 3HD1 ILE 20 3HD1 ILE 20 -12.054 -2.544 -10.155 122 H PHE 21 H PHE 21 -12.783 3.014 -9.308 123 HA PHE 21 HA PHE 21 -11.132 3.787 -7.049 124 1HB PHE 21 2HB PHE 21 -10.170 4.510 -9.007 125 2HB PHE 21 1HB PHE 21 -11.721 4.615 -9.831 126 HD1 PHE 21 HD1 PHE 21 -9.113 6.456 -8.166 127 HD2 PHE 21 HD2 PHE 21 -13.262 6.581 -9.269 128 HE1 PHE 21 HE1 PHE 21 -9.118 8.920 -7.870 129 HE2 PHE 21 HE2 PHE 21 -13.268 9.042 -8.973 130 HZ PHE 21 HZ PHE 21 -11.196 10.211 -8.274 131 H ASP 22 H ASP 22 -14.223 4.753 -8.434 132 HA ASP 22 HA ASP 22 -14.627 6.876 -6.416 133 1HB ASP 22 2HB ASP 22 -15.282 7.198 -8.768 134 2HB ASP 22 1HB ASP 22 -16.325 5.780 -8.682 135 H SER 23 H SER 23 -14.820 3.599 -6.341 136 HA SER 23 HA SER 23 -17.425 3.381 -4.936 137 1HB SER 23 2HB SER 23 -15.434 1.640 -6.249 138 2HB SER 23 1HB SER 23 -16.139 0.946 -4.791 139 HG SER 23 HG SER 23 -18.195 1.357 -5.686 140 H LEU 24 H LEU 24 -14.204 4.105 -4.258 141 HA LEU 24 HA LEU 24 -14.335 3.116 -1.441 142 1HB LEU 24 2HB LEU 24 -11.943 4.461 -2.639 143 2HB LEU 24 1HB LEU 24 -12.009 3.101 -1.524 144 HG LEU 24 HG LEU 24 -12.918 2.848 -4.393 145 1HD1 LEU 24 1HD1 LEU 24 -10.293 1.731 -3.768 146 2HD1 LEU 24 2HD1 LEU 24 -10.322 3.489 -3.628 147 3HD1 LEU 24 3HD1 LEU 24 -10.792 2.714 -5.143 148 1HD2 LEU 24 1HD2 LEU 24 -12.880 1.158 -2.102 149 2HD2 LEU 24 2HD2 LEU 24 -11.665 0.549 -3.227 150 3HD2 LEU 24 3HD2 LEU 24 -13.340 0.729 -3.750 151 H SER 25 H SER 25 -14.863 5.802 -3.384 152 HA SER 25 HA SER 25 -15.618 7.967 -2.703 153 1HB SER 25 2HB SER 25 -15.530 6.711 -0.327 154 2HB SER 25 1HB SER 25 -14.177 7.816 -0.114 155 HG SER 25 HG SER 25 -16.896 8.376 -0.615 156 HA PRO 26 HA PRO 26 -11.507 9.152 -4.114 157 1HB PRO 26 2HB PRO 26 -12.447 11.113 -5.772 158 2HB PRO 26 1HB PRO 26 -12.416 9.397 -6.227 159 1HG PRO 26 2HG PRO 26 -14.683 11.046 -5.225 160 2HG PRO 26 1HG PRO 26 -14.663 9.818 -6.501 161 1HD PRO 26 2HD PRO 26 -15.592 9.325 -3.995 162 2HD PRO 26 1HD PRO 26 -14.835 8.077 -5.006 163 H VAL 27 H VAL 27 -10.253 10.908 -3.500 164 HA VAL 27 HA VAL 27 -11.597 12.989 -1.814 165 HB VAL 27 HB VAL 27 -8.836 11.724 -1.710 166 1HG1 VAL 27 1HG1 VAL 27 -8.649 14.016 -0.992 167 2HG1 VAL 27 2HG1 VAL 27 -8.679 13.015 0.459 168 3HG1 VAL 27 3HG1 VAL 27 -10.126 13.893 -0.035 169 1HG2 VAL 27 1HG2 VAL 27 -9.673 10.299 -0.147 170 2HG2 VAL 27 2HG2 VAL 27 -11.254 10.738 -0.795 171 3HG2 VAL 27 3HG2 VAL 27 -10.620 11.570 0.626 172 H ASN 28 H ASN 28 -11.840 14.565 -3.476 173 HA ASN 28 HA ASN 28 -11.101 16.356 -4.832 174 1HB ASN 28 2HB ASN 28 -9.526 16.485 -2.813 175 2HB ASN 28 1HB ASN 28 -8.348 15.623 -3.802 176 1HD2 ASN 28 1HD2 ASN 28 -7.902 16.687 -6.020 177 2HD2 ASN 28 2HD2 ASN 28 -7.885 18.384 -6.073 178 H GLY 29 H GLY 29 -10.922 13.343 -5.565 179 1HA GLY 29 2HA GLY 29 -10.626 12.471 -7.788 180 2HA GLY 29 1HA GLY 29 -9.500 13.786 -8.128 181 H PHE 30 H PHE 30 -9.375 11.772 -5.239 182 HA PHE 30 HA PHE 30 -7.068 10.258 -6.320 183 1HB PHE 30 2HB PHE 30 -7.001 12.238 -4.037 184 2HB PHE 30 1HB PHE 30 -5.726 11.043 -4.305 185 HD1 PHE 30 HD1 PHE 30 -7.200 14.170 -5.416 186 HD2 PHE 30 HD2 PHE 30 -4.479 11.021 -6.455 187 HE1 PHE 30 HE1 PHE 30 -6.219 15.611 -7.168 188 HE2 PHE 30 HE2 PHE 30 -3.478 12.469 -8.213 189 HZ PHE 30 HZ PHE 30 -4.349 14.767 -8.570 190 H LEU 31 H LEU 31 -6.683 8.349 -5.251 191 HA LEU 31 HA LEU 31 -8.567 7.651 -3.013 192 1HB LEU 31 2HB LEU 31 -7.344 6.133 -5.317 193 2HB LEU 31 1HB LEU 31 -7.860 5.263 -3.873 194 HG LEU 31 HG LEU 31 -9.559 6.906 -5.752 195 1HD1 LEU 31 1HD1 LEU 31 -9.570 4.752 -6.559 196 2HD1 LEU 31 2HD1 LEU 31 -10.829 4.579 -5.334 197 3HD1 LEU 31 3HD1 LEU 31 -9.179 4.054 -4.983 198 1HD2 LEU 31 1HD2 LEU 31 -11.399 6.150 -4.060 199 2HD2 LEU 31 2HD2 LEU 31 -10.429 7.567 -3.653 200 3HD2 LEU 31 3HD2 LEU 31 -10.065 6.006 -2.912 201 H SER 32 H SER 32 -7.570 6.577 -1.194 202 HA SER 32 HA SER 32 -4.629 7.014 -1.080 203 1HB SER 32 2HB SER 32 -4.959 7.136 1.267 204 2HB SER 32 1HB SER 32 -6.388 7.913 0.590 205 HG SER 32 HG SER 32 -7.155 5.530 0.661 206 H GLY 33 H GLY 33 -3.209 5.372 -0.620 207 1HA GLY 33 2HA GLY 33 -3.533 2.825 -1.609 208 2HA GLY 33 1HA GLY 33 -2.478 3.156 -0.235 209 H ASP 34 H ASP 34 -4.799 4.070 1.398 210 HA ASP 34 HA ASP 34 -5.435 1.591 2.690 211 1HB ASP 34 2HB ASP 34 -6.800 4.300 2.796 212 2HB ASP 34 1HB ASP 34 -6.906 3.040 4.027 213 H LYS 35 H LYS 35 -6.953 3.332 0.044 214 HA LYS 35 HA LYS 35 -9.400 1.650 0.237 215 1HB LYS 35 2HB LYS 35 -8.590 4.025 -1.470 216 2HB LYS 35 1HB LYS 35 -10.177 3.257 -1.514 217 1HG LYS 35 2HG LYS 35 -10.184 3.665 1.061 218 2HG LYS 35 1HG LYS 35 -8.909 4.832 0.714 219 1HD LYS 35 2HD LYS 35 -10.445 5.888 -0.984 220 2HD LYS 35 1HD LYS 35 -11.725 4.824 -0.398 221 1HE LYS 35 2HE LYS 35 -11.697 5.815 1.778 222 2HE LYS 35 1HE LYS 35 -10.166 6.652 1.452 223 1HZ LYS 35 1HZ LYS 35 -12.504 7.826 1.102 224 2HZ LYS 35 2HZ LYS 35 -12.352 7.098 -0.427 225 3HZ LYS 35 3HZ LYS 35 -11.161 8.175 0.126 226 H VAL 36 H VAL 36 -6.546 2.291 -1.721 227 HA VAL 36 HA VAL 36 -7.370 0.555 -3.933 228 HB VAL 36 HB VAL 36 -4.742 1.791 -3.084 229 1HG1 VAL 36 1HG1 VAL 36 -5.184 -0.265 -4.918 230 2HG1 VAL 36 2HG1 VAL 36 -3.752 0.754 -4.820 231 3HG1 VAL 36 3HG1 VAL 36 -5.069 1.188 -5.909 232 1HG2 VAL 36 1HG2 VAL 36 -6.498 2.667 -5.370 233 2HG2 VAL 36 2HG2 VAL 36 -5.277 3.593 -4.498 234 3HG2 VAL 36 3HG2 VAL 36 -6.822 3.230 -3.730 235 H LYS 37 H LYS 37 -5.100 0.315 -1.187 236 HA LYS 37 HA LYS 37 -3.795 -2.050 -1.649 237 1HB LYS 37 2HB LYS 37 -3.343 -0.895 0.353 238 2HB LYS 37 1HB LYS 37 -5.041 -0.864 0.824 239 1HG LYS 37 2HG LYS 37 -4.929 -2.917 1.792 240 2HG LYS 37 1HG LYS 37 -3.959 -3.581 0.476 241 1HD LYS 37 2HD LYS 37 -1.936 -2.713 1.400 242 2HD LYS 37 1HD LYS 37 -2.812 -1.685 2.535 243 1HE LYS 37 2HE LYS 37 -2.827 -3.358 4.061 244 2HE LYS 37 1HE LYS 37 -3.642 -4.429 2.904 245 1HZ LYS 37 1HZ LYS 37 -1.478 -4.804 1.834 246 2HZ LYS 37 2HZ LYS 37 -1.485 -5.331 3.450 247 3HZ LYS 37 3HZ LYS 37 -0.724 -3.871 3.033 248 HA PRO 38 HA PRO 38 -7.473 -4.709 -0.083 249 1HB PRO 38 2HB PRO 38 -9.926 -3.483 0.020 250 2HB PRO 38 1HB PRO 38 -8.826 -3.573 1.411 251 1HG PRO 38 2HG PRO 38 -9.285 -1.329 -0.499 252 2HG PRO 38 1HG PRO 38 -9.079 -1.287 1.260 253 1HD PRO 38 2HD PRO 38 -7.082 -0.645 -0.430 254 2HD PRO 38 1HD PRO 38 -6.781 -1.442 1.132 255 H VAL 39 H VAL 39 -8.121 -2.131 -2.382 256 HA VAL 39 HA VAL 39 -9.884 -3.555 -4.140 257 HB VAL 39 HB VAL 39 -8.050 -1.168 -4.229 258 1HG1 VAL 39 1HG1 VAL 39 -8.523 -2.665 -6.543 259 2HG1 VAL 39 2HG1 VAL 39 -8.020 -0.979 -6.472 260 3HG1 VAL 39 3HG1 VAL 39 -9.731 -1.385 -6.598 261 1HG2 VAL 39 1HG2 VAL 39 -10.159 0.023 -4.541 262 2HG2 VAL 39 2HG2 VAL 39 -10.292 -1.059 -3.156 263 3HG2 VAL 39 3HG2 VAL 39 -11.027 -1.505 -4.696 264 H LEU 40 H LEU 40 -6.393 -3.459 -3.708 265 HA LEU 40 HA LEU 40 -5.897 -5.003 -6.191 266 1HB LEU 40 2HB LEU 40 -4.073 -4.002 -3.983 267 2HB LEU 40 1HB LEU 40 -3.570 -4.562 -5.580 268 HG LEU 40 HG LEU 40 -5.515 -2.285 -5.188 269 1HD1 LEU 40 1HD1 LEU 40 -3.632 -1.325 -4.279 270 2HD1 LEU 40 2HD1 LEU 40 -3.343 -1.001 -5.987 271 3HD1 LEU 40 3HD1 LEU 40 -2.527 -2.349 -5.195 272 1HD2 LEU 40 1HD2 LEU 40 -4.549 -1.829 -7.551 273 2HD2 LEU 40 2HD2 LEU 40 -5.706 -3.147 -7.360 274 3HD2 LEU 40 3HD2 LEU 40 -3.978 -3.496 -7.469 275 H LEU 41 H LEU 41 -6.128 -5.458 -2.727 276 HA LEU 41 HA LEU 41 -4.781 -8.026 -2.628 277 1HB LEU 41 2HB LEU 41 -6.707 -6.499 -0.863 278 2HB LEU 41 1HB LEU 41 -6.034 -8.060 -0.397 279 HG LEU 41 HG LEU 41 -4.315 -5.711 -1.212 280 1HD1 LEU 41 1HD1 LEU 41 -5.081 -6.633 1.572 281 2HD1 LEU 41 2HD1 LEU 41 -5.674 -5.165 0.795 282 3HD1 LEU 41 3HD1 LEU 41 -3.959 -5.327 1.186 283 1HD2 LEU 41 1HD2 LEU 41 -2.542 -7.070 -0.722 284 2HD2 LEU 41 2HD2 LEU 41 -3.706 -8.357 -1.044 285 3HD2 LEU 41 3HD2 LEU 41 -3.387 -7.851 0.615 286 H ASN 42 H ASN 42 -7.758 -6.971 -3.884 287 HA ASN 42 HA ASN 42 -9.201 -9.470 -3.283 288 1HB ASN 42 2HB ASN 42 -9.750 -6.752 -4.216 289 2HB ASN 42 1HB ASN 42 -10.668 -7.968 -5.106 290 1HD2 ASN 42 1HD2 ASN 42 -11.314 -5.961 -2.749 291 2HD2 ASN 42 2HD2 ASN 42 -12.180 -6.939 -1.665 292 H SER 43 H SER 43 -6.933 -8.530 -5.579 293 HA SER 43 HA SER 43 -8.126 -9.897 -7.893 294 1HB SER 43 2HB SER 43 -5.255 -9.293 -7.927 295 2HB SER 43 1HB SER 43 -6.531 -8.717 -8.995 296 HG SER 43 HG SER 43 -5.320 -7.348 -7.159 297 H LYS 44 H LYS 44 -7.051 -11.152 -5.123 298 HA LYS 44 HA LYS 44 -6.277 -13.322 -4.565 299 1HB LYS 44 2HB LYS 44 -7.491 -13.457 -7.070 300 2HB LYS 44 1HB LYS 44 -5.920 -14.216 -7.331 301 1HG LYS 44 2HG LYS 44 -6.813 -16.084 -6.425 302 2HG LYS 44 1HG LYS 44 -6.754 -15.240 -4.878 303 1HD LYS 44 2HD LYS 44 -9.068 -14.733 -6.716 304 2HD LYS 44 1HD LYS 44 -9.043 -16.219 -5.764 305 1HE LYS 44 2HE LYS 44 -9.728 -15.064 -3.943 306 2HE LYS 44 1HE LYS 44 -8.293 -14.023 -4.059 307 1HZ LYS 44 1HZ LYS 44 -10.855 -13.708 -5.531 308 2HZ LYS 44 2HZ LYS 44 -9.449 -12.812 -5.869 309 3HZ LYS 44 3HZ LYS 44 -10.217 -12.657 -4.362 310 H LEU 45 H LEU 45 -4.550 -10.968 -5.986 311 HA LEU 45 HA LEU 45 -2.093 -12.536 -6.559 312 1HB LEU 45 2HB LEU 45 -3.106 -9.739 -6.955 313 2HB LEU 45 1HB LEU 45 -1.366 -10.024 -6.987 314 HG LEU 45 HG LEU 45 -3.428 -11.420 -8.718 315 1HD1 LEU 45 1HD1 LEU 45 -3.177 -9.377 -9.768 316 2HD1 LEU 45 2HD1 LEU 45 -1.788 -10.221 -10.454 317 3HD1 LEU 45 3HD1 LEU 45 -1.567 -9.114 -9.099 318 1HD2 LEU 45 1HD2 LEU 45 -0.682 -11.733 -9.550 319 2HD2 LEU 45 2HD2 LEU 45 -1.857 -12.983 -9.142 320 3HD2 LEU 45 3HD2 LEU 45 -0.853 -12.274 -7.881 321 HA PRO 46 HA PRO 46 -0.346 -11.653 -2.631 322 1HB PRO 46 2HB PRO 46 2.308 -11.674 -3.275 323 2HB PRO 46 1HB PRO 46 1.322 -13.147 -3.217 324 1HG PRO 46 2HG PRO 46 2.253 -11.588 -5.555 325 2HG PRO 46 1HG PRO 46 2.017 -13.333 -5.378 326 1HD PRO 46 2HD PRO 46 0.272 -11.621 -6.654 327 2HD PRO 46 1HD PRO 46 -0.159 -13.217 -6.014 328 H VAL 47 H VAL 47 1.404 -10.053 -1.661 329 HA VAL 47 HA VAL 47 0.700 -7.365 -2.487 330 HB VAL 47 HB VAL 47 2.232 -8.779 -0.375 331 1HG1 VAL 47 1HG1 VAL 47 3.344 -6.681 0.389 332 2HG1 VAL 47 2HG1 VAL 47 2.871 -5.913 -1.126 333 3HG1 VAL 47 3HG1 VAL 47 3.993 -7.272 -1.139 334 1HG2 VAL 47 1HG2 VAL 47 0.482 -6.306 -0.388 335 2HG2 VAL 47 2HG2 VAL 47 1.014 -7.187 1.044 336 3HG2 VAL 47 3HG2 VAL 47 -0.084 -7.952 -0.105 337 H ASP 48 H ASP 48 2.879 -9.603 -3.729 338 HA ASP 48 HA ASP 48 5.089 -7.808 -4.320 339 1HB ASP 48 2HB ASP 48 4.451 -10.578 -4.429 340 2HB ASP 48 1HB ASP 48 4.945 -10.084 -6.046 341 H ILE 49 H ILE 49 2.118 -8.841 -5.841 342 HA ILE 49 HA ILE 49 2.776 -7.576 -8.417 343 HB ILE 49 HB ILE 49 0.078 -8.553 -7.480 344 1HG1 ILE 49 2HG1 ILE 49 1.603 -10.322 -6.833 345 2HG1 ILE 49 1HG1 ILE 49 0.797 -10.817 -8.322 346 1HG2 ILE 49 1HG2 ILE 49 -0.255 -7.858 -9.622 347 2HG2 ILE 49 2HG2 ILE 49 0.459 -9.420 -10.027 348 3HG2 ILE 49 3HG2 ILE 49 1.457 -7.964 -10.028 349 1HD1 ILE 49 1HD1 ILE 49 2.884 -9.580 -9.423 350 2HD1 ILE 49 2HD1 ILE 49 2.972 -11.268 -8.916 351 3HD1 ILE 49 3HD1 ILE 49 3.628 -9.999 -7.879 352 H LEU 50 H LEU 50 0.698 -7.070 -5.610 353 HA LEU 50 HA LEU 50 -0.471 -4.587 -6.594 354 1HB LEU 50 2HB LEU 50 -0.252 -5.586 -3.748 355 2HB LEU 50 1HB LEU 50 -1.522 -4.583 -4.447 356 HG LEU 50 HG LEU 50 -0.966 -7.488 -5.100 357 1HD1 LEU 50 1HD1 LEU 50 -3.239 -7.806 -4.142 358 2HD1 LEU 50 2HD1 LEU 50 -3.261 -6.099 -3.698 359 3HD1 LEU 50 3HD1 LEU 50 -2.083 -7.188 -2.960 360 1HD2 LEU 50 1HD2 LEU 50 -2.120 -5.473 -6.715 361 2HD2 LEU 50 2HD2 LEU 50 -3.459 -6.445 -6.107 362 3HD2 LEU 50 3HD2 LEU 50 -2.146 -7.214 -6.999 363 H GLY 51 H GLY 51 2.328 -5.583 -4.727 364 1HA GLY 51 2HA GLY 51 2.942 -2.954 -3.654 365 2HA GLY 51 1HA GLY 51 4.070 -4.311 -3.759 366 H ARG 52 H ARG 52 3.374 -4.620 -6.630 367 HA ARG 52 HA ARG 52 5.222 -2.553 -7.702 368 1HB ARG 52 2HB ARG 52 5.081 -5.302 -7.867 369 2HB ARG 52 1HB ARG 52 4.355 -4.790 -9.389 370 1HG ARG 52 2HG ARG 52 6.398 -3.187 -9.560 371 2HG ARG 52 1HG ARG 52 7.127 -4.248 -8.352 372 1HD ARG 52 2HD ARG 52 5.840 -5.597 -10.677 373 2HD ARG 52 1HD ARG 52 7.356 -4.734 -10.997 374 HE ARG 52 HE ARG 52 8.358 -6.057 -9.106 375 1HH1 ARG 52 1HH2 ARG 52 7.938 -8.011 -11.243 376 2HH1 ARG 52 2HH2 ARG 52 7.003 -9.251 -10.477 377 1HH2 ARG 52 2HH1 ARG 52 6.057 -7.250 -7.805 378 2HH2 ARG 52 1HH1 ARG 52 5.934 -8.819 -8.528 379 H VAL 53 H VAL 53 1.960 -3.939 -8.128 380 HA VAL 53 HA VAL 53 1.368 -2.507 -10.568 381 HB VAL 53 HB VAL 53 -0.246 -3.801 -8.364 382 1HG1 VAL 53 1HG1 VAL 53 -1.165 -1.785 -10.176 383 2HG1 VAL 53 2HG1 VAL 53 -2.121 -2.755 -9.055 384 3HG1 VAL 53 3HG1 VAL 53 -1.836 -3.329 -10.698 385 1HG2 VAL 53 1HG2 VAL 53 1.155 -4.896 -10.403 386 2HG2 VAL 53 2HG2 VAL 53 -0.378 -4.604 -11.233 387 3HG2 VAL 53 3HG2 VAL 53 -0.334 -5.610 -9.781 388 H TRP 54 H TRP 54 1.044 -1.747 -7.116 389 HA TRP 54 HA TRP 54 -0.443 0.701 -7.466 390 1HB TRP 54 2HB TRP 54 -0.402 -0.188 -5.269 391 2HB TRP 54 1HB TRP 54 1.340 -0.474 -5.323 392 HD1 TRP 54 HD1 TRP 54 2.932 1.741 -5.306 393 HE1 TRP 54 HE1 TRP 54 2.573 4.042 -4.237 394 HE3 TRP 54 HE3 TRP 54 -2.105 1.548 -4.468 395 HZ2 TRP 54 HZ2 TRP 54 0.439 5.595 -3.108 396 HZ3 TRP 54 HZ3 TRP 54 -3.273 3.452 -3.376 397 HH2 TRP 54 HH2 TRP 54 -2.006 5.467 -2.703 398 H GLU 55 H GLU 55 3.058 0.106 -6.891 399 HA GLU 55 HA GLU 55 3.998 2.713 -7.027 400 1HB GLU 55 2HB GLU 55 5.076 0.091 -8.036 401 2HB GLU 55 1HB GLU 55 6.040 1.569 -8.063 402 1HG GLU 55 2HG GLU 55 5.136 1.684 -5.527 403 2HG GLU 55 1HG GLU 55 5.152 -0.064 -5.750 404 H LEU 56 H LEU 56 3.763 0.559 -9.884 405 HA LEU 56 HA LEU 56 4.271 2.642 -11.797 406 1HB LEU 56 2HB LEU 56 2.734 0.027 -12.025 407 2HB LEU 56 1HB LEU 56 3.363 0.953 -13.386 408 HG LEU 56 HG LEU 56 5.371 0.377 -11.308 409 1HD1 LEU 56 1HD1 LEU 56 3.726 -1.684 -11.542 410 2HD1 LEU 56 2HD1 LEU 56 5.471 -1.936 -11.493 411 3HD1 LEU 56 3HD1 LEU 56 4.619 -1.949 -13.039 412 1HD2 LEU 56 1HD2 LEU 56 5.457 1.223 -13.863 413 2HD2 LEU 56 2HD2 LEU 56 5.613 -0.506 -14.153 414 3HD2 LEU 56 3HD2 LEU 56 6.792 0.329 -13.141 415 H SER 57 H SER 57 1.571 1.997 -9.807 416 HA SER 57 HA SER 57 -0.379 3.341 -11.604 417 1HB SER 57 2HB SER 57 -0.510 1.949 -8.919 418 2HB SER 57 1HB SER 57 -1.898 2.751 -9.647 419 HG SER 57 HG SER 57 -1.373 0.358 -10.062 420 H ASP 58 H ASP 58 1.229 3.761 -8.454 421 HA ASP 58 HA ASP 58 0.014 6.387 -7.984 422 1HB ASP 58 2HB ASP 58 0.486 4.787 -6.171 423 2HB ASP 58 1HB ASP 58 2.201 4.821 -6.584 424 H ILE 59 H ILE 59 0.980 7.099 -10.185 425 HA ILE 59 HA ILE 59 3.769 7.489 -10.575 426 HB ILE 59 HB ILE 59 1.275 8.933 -11.499 427 1HG1 ILE 59 2HG1 ILE 59 2.864 7.326 -13.376 428 2HG1 ILE 59 1HG1 ILE 59 2.253 6.391 -12.008 429 1HG2 ILE 59 1HG2 ILE 59 2.896 9.618 -13.418 430 2HG2 ILE 59 2HG2 ILE 59 4.173 9.287 -12.249 431 3HG2 ILE 59 3HG2 ILE 59 2.967 10.525 -11.907 432 1HD1 ILE 59 1HD1 ILE 59 0.008 7.703 -12.563 433 2HD1 ILE 59 2HD1 ILE 59 0.438 6.229 -13.433 434 3HD1 ILE 59 3HD1 ILE 59 0.739 7.806 -14.166 435 H ASP 60 H ASP 60 1.572 9.056 -8.424 436 HA ASP 60 HA ASP 60 3.236 11.497 -8.170 437 1HB ASP 60 2HB ASP 60 0.786 10.581 -6.629 438 2HB ASP 60 1HB ASP 60 1.411 12.227 -6.742 439 H HIS 61 H HIS 61 2.939 8.367 -6.782 440 HA HIS 61 HA HIS 61 3.939 7.376 -4.880 441 1HB HIS 61 2HB HIS 61 5.765 9.673 -5.611 442 2HB HIS 61 1HB HIS 61 6.188 8.485 -4.378 443 HD1 HIS 61 HD1 HIS 61 6.041 5.879 -5.278 444 HD2 HIS 61 HD2 HIS 61 6.420 8.858 -8.168 445 HE1 HIS 61 HE1 HIS 61 6.843 4.731 -7.387 446 H ASP 62 H ASP 62 1.856 9.429 -4.372 447 HA ASP 62 HA ASP 62 2.878 10.720 -1.880 448 1HB ASP 62 2HB ASP 62 0.781 12.048 -2.114 449 2HB ASP 62 1HB ASP 62 1.778 12.130 -3.566 450 H GLY 63 H GLY 63 1.547 7.843 -2.705 451 1HA GLY 63 2HA GLY 63 0.693 6.204 -1.197 452 2HA GLY 63 1HA GLY 63 0.381 7.486 -0.024 453 H MET 64 H MET 64 -0.680 7.824 -3.341 454 HA MET 64 HA MET 64 -3.448 6.992 -2.643 455 1HB MET 64 2HB MET 64 -2.693 9.766 -3.624 456 2HB MET 64 1HB MET 64 -4.333 9.181 -3.394 457 1HG MET 64 2HG MET 64 -2.575 8.957 -1.026 458 2HG MET 64 1HG MET 64 -2.952 10.596 -1.539 459 1HE MET 64 1HE MET 64 -6.165 9.634 -2.833 460 2HE MET 64 2HE MET 64 -5.221 11.086 -2.507 461 3HE MET 64 3HE MET 64 -6.708 10.789 -1.608 462 H LEU 65 H LEU 65 -4.834 6.929 -4.616 463 HA LEU 65 HA LEU 65 -3.244 6.789 -7.161 464 1HB LEU 65 2HB LEU 65 -5.226 4.946 -5.855 465 2HB LEU 65 1HB LEU 65 -5.127 4.976 -7.615 466 HG LEU 65 HG LEU 65 -2.878 4.374 -5.676 467 1HD1 LEU 65 1HD1 LEU 65 -3.341 2.492 -7.828 468 2HD1 LEU 65 2HD1 LEU 65 -4.824 2.752 -6.909 469 3HD1 LEU 65 3HD1 LEU 65 -3.359 2.212 -6.086 470 1HD2 LEU 65 1HD2 LEU 65 -2.900 5.012 -8.619 471 2HD2 LEU 65 2HD2 LEU 65 -1.695 3.898 -7.970 472 3HD2 LEU 65 3HD2 LEU 65 -1.774 5.555 -7.375 473 H ASP 66 H ASP 66 -3.966 8.558 -8.347 474 HA ASP 66 HA ASP 66 -6.553 9.784 -8.003 475 1HB ASP 66 2HB ASP 66 -4.314 10.697 -8.925 476 2HB ASP 66 1HB ASP 66 -4.809 9.964 -10.450 477 H ARG 67 H ARG 67 -8.135 9.974 -9.842 478 HA ARG 67 HA ARG 67 -9.317 7.549 -10.579 479 1HB ARG 67 2HB ARG 67 -10.490 8.931 -12.266 480 2HB ARG 67 1HB ARG 67 -10.334 9.792 -10.734 481 1HG ARG 67 2HG ARG 67 -8.107 10.700 -11.782 482 2HG ARG 67 1HG ARG 67 -8.856 10.238 -13.310 483 1HD ARG 67 2HD ARG 67 -10.552 11.789 -11.400 484 2HD ARG 67 1HD ARG 67 -9.261 12.669 -12.244 485 HE ARG 67 HE ARG 67 -10.617 10.971 -14.109 486 1HH1 ARG 67 1HH2 ARG 67 -11.631 13.432 -11.972 487 2HH1 ARG 67 2HH2 ARG 67 -12.478 14.338 -13.181 488 1HH2 ARG 67 2HH1 ARG 67 -11.449 12.308 -15.798 489 2HH2 ARG 67 1HH1 ARG 67 -12.374 13.702 -15.349 490 H ASP 68 H ASP 68 -6.865 9.410 -12.355 491 HA ASP 68 HA ASP 68 -6.842 7.549 -14.618 492 1HB ASP 68 2HB ASP 68 -5.626 10.096 -13.779 493 2HB ASP 68 1HB ASP 68 -4.536 9.076 -14.716 494 H GLU 69 H GLU 69 -4.933 8.118 -11.693 495 HA GLU 69 HA GLU 69 -2.829 6.220 -12.348 496 1HB GLU 69 2HB GLU 69 -3.825 7.333 -9.706 497 2HB GLU 69 1HB GLU 69 -2.251 6.592 -9.979 498 1HG GLU 69 2HG GLU 69 -1.801 8.351 -11.717 499 2HG GLU 69 1HG GLU 69 -3.299 9.141 -11.226 500 H PHE 70 H PHE 70 -5.722 6.126 -10.263 501 HA PHE 70 HA PHE 70 -5.476 3.455 -9.345 502 1HB PHE 70 2HB PHE 70 -7.061 5.307 -8.609 503 2HB PHE 70 1HB PHE 70 -8.022 4.954 -10.046 504 HD1 PHE 70 HD1 PHE 70 -7.253 3.978 -6.655 505 HD2 PHE 70 HD2 PHE 70 -8.920 2.588 -10.364 506 HE1 PHE 70 HE1 PHE 70 -8.357 2.109 -5.460 507 HE2 PHE 70 HE2 PHE 70 -10.024 0.718 -9.165 508 HZ PHE 70 HZ PHE 70 -9.740 0.479 -6.713 509 H ALA 71 H ALA 71 -6.495 4.782 -12.430 510 HA ALA 71 HA ALA 71 -7.859 2.441 -13.434 511 1HB ALA 71 1HB ALA 71 -7.684 3.628 -15.546 512 2HB ALA 71 2HB ALA 71 -6.344 4.598 -14.932 513 3HB ALA 71 3HB ALA 71 -7.967 4.818 -14.276 514 H VAL 72 H VAL 72 -4.550 3.664 -13.877 515 HA VAL 72 HA VAL 72 -3.534 1.585 -15.522 516 HB VAL 72 HB VAL 72 -2.184 3.210 -13.339 517 1HG1 VAL 72 1HG1 VAL 72 -0.170 2.502 -14.141 518 2HG1 VAL 72 2HG1 VAL 72 -0.736 2.461 -15.810 519 3HG1 VAL 72 3HG1 VAL 72 -1.107 1.125 -14.720 520 1HG2 VAL 72 1HG2 VAL 72 -1.791 4.903 -14.982 521 2HG2 VAL 72 2HG2 VAL 72 -3.499 4.485 -15.137 522 3HG2 VAL 72 3HG2 VAL 72 -2.331 3.852 -16.294 523 H ALA 73 H ALA 73 -4.309 1.653 -12.122 524 HA ALA 73 HA ALA 73 -2.656 -0.697 -11.465 525 1HB ALA 73 1HB ALA 73 -4.773 0.652 -9.787 526 2HB ALA 73 2HB ALA 73 -3.179 1.377 -10.040 527 3HB ALA 73 3HB ALA 73 -3.322 -0.193 -9.243 528 H MET 74 H MET 74 -5.846 -0.201 -12.700 529 HA MET 74 HA MET 74 -6.936 -2.635 -11.435 530 1HB MET 74 2HB MET 74 -8.136 -1.094 -13.732 531 2HB MET 74 1HB MET 74 -8.969 -2.002 -12.476 532 1HG MET 74 2HG MET 74 -7.724 0.720 -12.336 533 2HG MET 74 1HG MET 74 -9.296 0.187 -11.759 534 1HE MET 74 1HE MET 74 -7.636 -2.527 -9.274 535 2HE MET 74 2HE MET 74 -8.702 -2.360 -10.667 536 3HE MET 74 3HE MET 74 -9.192 -1.702 -9.109 537 H PHE 75 H PHE 75 -5.801 -1.656 -14.671 538 HA PHE 75 HA PHE 75 -6.372 -4.302 -15.780 539 1HB PHE 75 2HB PHE 75 -5.706 -3.322 -17.790 540 2HB PHE 75 1HB PHE 75 -6.169 -1.886 -16.879 541 HD1 PHE 75 HD1 PHE 75 -3.382 -3.839 -18.242 542 HD2 PHE 75 HD2 PHE 75 -4.476 -0.403 -15.915 543 HE1 PHE 75 HE1 PHE 75 -1.073 -2.963 -18.454 544 HE2 PHE 75 HE2 PHE 75 -2.174 0.471 -16.122 545 HZ PHE 75 HZ PHE 75 -0.464 -0.811 -17.394 546 H LEU 76 H LEU 76 -3.782 -2.680 -14.130 547 HA LEU 76 HA LEU 76 -1.636 -4.512 -14.823 548 1HB LEU 76 2HB LEU 76 -2.171 -2.186 -13.109 549 2HB LEU 76 1HB LEU 76 -1.016 -3.319 -12.408 550 HG LEU 76 HG LEU 76 -0.824 -2.237 -15.229 551 1HD1 LEU 76 1HD1 LEU 76 0.852 -1.439 -12.838 552 2HD1 LEU 76 2HD1 LEU 76 -0.562 -0.520 -13.359 553 3HD1 LEU 76 3HD1 LEU 76 0.825 -0.694 -14.436 554 1HD2 LEU 76 1HD2 LEU 76 1.386 -3.227 -15.211 555 2HD2 LEU 76 2HD2 LEU 76 0.249 -4.468 -14.686 556 3HD2 LEU 76 3HD2 LEU 76 1.247 -3.629 -13.500 557 H VAL 77 H VAL 77 -4.300 -4.543 -12.629 558 HA VAL 77 HA VAL 77 -3.130 -6.631 -10.888 559 HB VAL 77 HB VAL 77 -5.708 -5.045 -11.022 560 1HG1 VAL 77 1HG1 VAL 77 -6.199 -7.325 -10.199 561 2HG1 VAL 77 2HG1 VAL 77 -6.345 -6.133 -8.907 562 3HG1 VAL 77 3HG1 VAL 77 -4.916 -7.164 -9.000 563 1HG2 VAL 77 1HG2 VAL 77 -3.436 -4.110 -10.177 564 2HG2 VAL 77 2HG2 VAL 77 -3.686 -5.165 -8.786 565 3HG2 VAL 77 3HG2 VAL 77 -4.853 -3.894 -9.151 566 H TYR 78 H TYR 78 -5.952 -6.220 -13.044 567 HA TYR 78 HA TYR 78 -6.832 -8.929 -12.932 568 1HB TYR 78 2HB TYR 78 -7.263 -6.488 -14.552 569 2HB TYR 78 1HB TYR 78 -7.707 -8.003 -15.337 570 HD1 TYR 78 HD1 TYR 78 -8.974 -5.435 -13.383 571 HD2 TYR 78 HD2 TYR 78 -8.898 -9.727 -13.576 572 HE1 TYR 78 HE1 TYR 78 -11.055 -5.529 -12.037 573 HE2 TYR 78 HE2 TYR 78 -10.983 -9.822 -12.232 574 HH TYR 78 HH TYR 78 -12.382 -8.614 -10.919 575 H CYS 79 H CYS 79 -4.638 -7.263 -15.193 576 HA CYS 79 HA CYS 79 -4.239 -9.674 -16.806 577 1HB CYS 79 2HB CYS 79 -3.021 -6.910 -16.648 578 2HB CYS 79 1HB CYS 79 -2.431 -8.123 -17.781 579 HG CYS 79 HG CYS 79 -4.278 -7.342 -19.239 580 H ALA 80 H ALA 80 -3.090 -8.547 -13.814 581 HA ALA 80 HA ALA 80 -0.431 -9.841 -14.086 582 1HB ALA 80 1HB ALA 80 -0.324 -8.991 -11.649 583 2HB ALA 80 2HB ALA 80 -1.860 -8.196 -11.993 584 3HB ALA 80 3HB ALA 80 -0.418 -7.771 -12.917 585 H LEU 81 H LEU 81 -3.550 -10.249 -12.601 586 HA LEU 81 HA LEU 81 -2.773 -12.644 -11.073 587 1HB LEU 81 2HB LEU 81 -4.714 -12.168 -9.931 588 2HB LEU 81 1HB LEU 81 -4.368 -10.573 -10.598 589 HG LEU 81 HG LEU 81 -5.745 -11.576 -12.653 590 1HD1 LEU 81 1HD1 LEU 81 -7.346 -12.720 -10.428 591 2HD1 LEU 81 2HD1 LEU 81 -5.920 -13.636 -10.935 592 3HD1 LEU 81 3HD1 LEU 81 -7.193 -13.261 -12.103 593 1HD2 LEU 81 1HD2 LEU 81 -7.655 -10.346 -11.731 594 2HD2 LEU 81 2HD2 LEU 81 -6.149 -9.503 -11.347 595 3HD2 LEU 81 3HD2 LEU 81 -6.967 -10.462 -10.108 596 H GLU 82 H GLU 82 -4.290 -11.839 -14.120 597 HA GLU 82 HA GLU 82 -5.691 -14.335 -14.516 598 1HB GLU 82 2HB GLU 82 -6.022 -12.094 -15.680 599 2HB GLU 82 1HB GLU 82 -4.558 -12.449 -16.596 600 1HG GLU 82 2HG GLU 82 -5.991 -13.449 -18.057 601 2HG GLU 82 1HG GLU 82 -5.940 -14.785 -16.904 602 H LYS 83 H LYS 83 -2.659 -13.106 -15.960 603 HA LYS 83 HA LYS 83 -1.199 -15.549 -15.574 604 1HB LYS 83 2HB LYS 83 -3.073 -16.150 -17.223 605 2HB LYS 83 1HB LYS 83 -2.217 -15.144 -18.391 606 1HG LYS 83 2HG LYS 83 -0.174 -16.518 -18.043 607 2HG LYS 83 1HG LYS 83 -1.082 -17.556 -16.944 608 1HD LYS 83 2HD LYS 83 -2.290 -17.080 -19.620 609 2HD LYS 83 1HD LYS 83 -0.848 -18.092 -19.577 610 1HE LYS 83 2HE LYS 83 -1.884 -19.613 -17.987 611 2HE LYS 83 1HE LYS 83 -3.292 -18.545 -17.829 612 1HZ LYS 83 1HZ LYS 83 -3.789 -18.819 -20.135 613 2HZ LYS 83 2HZ LYS 83 -3.617 -20.369 -19.461 614 3HZ LYS 83 3HZ LYS 83 -2.368 -19.704 -20.402 615 H GLU 84 H GLU 84 -0.269 -13.050 -15.143 616 HA GLU 84 HA GLU 84 1.931 -12.806 -17.058 617 1HB GLU 84 2HB GLU 84 -0.330 -11.660 -17.897 618 2HB GLU 84 1HB GLU 84 0.226 -10.356 -16.845 619 1HG GLU 84 2HG GLU 84 1.952 -9.814 -18.222 620 2HG GLU 84 1HG GLU 84 2.320 -11.501 -18.580 621 HA PRO 85 HA PRO 85 3.561 -11.110 -13.310 622 1HB PRO 85 2HB PRO 85 6.051 -10.506 -14.259 623 2HB PRO 85 1HB PRO 85 5.535 -12.166 -13.903 624 1HG PRO 85 2HG PRO 85 5.807 -10.788 -16.511 625 2HG PRO 85 1HG PRO 85 6.063 -12.489 -16.097 626 1HD PRO 85 2HD PRO 85 3.815 -11.466 -17.363 627 2HD PRO 85 1HD PRO 85 3.903 -13.030 -16.526 628 H VAL 86 H VAL 86 4.634 -8.985 -12.618 629 HA VAL 86 HA VAL 86 3.806 -6.738 -14.434 630 HB VAL 86 HB VAL 86 3.743 -7.025 -11.414 631 1HG1 VAL 86 1HG1 VAL 86 2.457 -4.744 -11.778 632 2HG1 VAL 86 2HG1 VAL 86 3.435 -4.668 -13.244 633 3HG1 VAL 86 3HG1 VAL 86 4.217 -4.761 -11.666 634 1HG2 VAL 86 1HG2 VAL 86 1.692 -7.052 -13.614 635 2HG2 VAL 86 2HG2 VAL 86 1.242 -6.472 -12.010 636 3HG2 VAL 86 3HG2 VAL 86 1.835 -8.120 -12.217 637 HA PRO 87 HA PRO 87 8.123 -5.738 -13.883 638 1HB PRO 87 2HB PRO 87 8.203 -3.798 -15.807 639 2HB PRO 87 1HB PRO 87 8.211 -5.531 -16.188 640 1HG PRO 87 2HG PRO 87 6.059 -3.558 -16.492 641 2HG PRO 87 1HG PRO 87 6.318 -5.088 -17.336 642 1HD PRO 87 2HD PRO 87 4.510 -4.574 -15.211 643 2HD PRO 87 1HD PRO 87 4.870 -6.142 -15.967 644 H MET 88 H MET 88 9.257 -3.907 -12.940 645 HA MET 88 HA MET 88 7.495 -2.024 -11.496 646 1HB MET 88 2HB MET 88 10.507 -2.184 -11.539 647 2HB MET 88 1HB MET 88 9.479 -1.547 -10.257 648 1HG MET 88 2HG MET 88 8.577 -3.798 -9.842 649 2HG MET 88 1HG MET 88 9.568 -4.448 -11.145 650 1HE MET 88 1HE MET 88 12.230 -2.310 -10.430 651 2HE MET 88 2HE MET 88 12.030 -3.811 -11.331 652 3HE MET 88 3HE MET 88 13.159 -3.746 -9.979 653 H SER 89 H SER 89 8.302 -1.925 -14.553 654 HA SER 89 HA SER 89 9.384 0.860 -14.463 655 1HB SER 89 2HB SER 89 9.388 -1.209 -16.655 656 2HB SER 89 1HB SER 89 10.188 0.358 -16.713 657 HG SER 89 HG SER 89 11.509 -1.514 -16.064 658 H LEU 90 H LEU 90 7.544 2.073 -14.404 659 HA LEU 90 HA LEU 90 5.101 1.629 -15.795 660 1HB LEU 90 2HB LEU 90 6.392 3.631 -14.220 661 2HB LEU 90 1HB LEU 90 5.733 4.428 -15.648 662 HG LEU 90 HG LEU 90 4.164 2.558 -13.852 663 1HD1 LEU 90 1HD1 LEU 90 4.421 4.428 -12.497 664 2HD1 LEU 90 2HD1 LEU 90 2.981 4.877 -13.409 665 3HD1 LEU 90 3HD1 LEU 90 4.553 5.530 -13.867 666 1HD2 LEU 90 1HD2 LEU 90 2.630 4.403 -15.457 667 2HD2 LEU 90 2HD2 LEU 90 2.575 2.640 -15.450 668 3HD2 LEU 90 3HD2 LEU 90 3.722 3.484 -16.490 669 HA PRO 91 HA PRO 91 6.995 2.183 -19.869 670 1HB PRO 91 2HB PRO 91 4.820 1.245 -21.250 671 2HB PRO 91 1HB PRO 91 6.027 0.178 -20.503 672 1HG PRO 91 2HG PRO 91 3.349 1.000 -19.492 673 2HG PRO 91 1HG PRO 91 4.119 -0.592 -19.455 674 1HD PRO 91 2HD PRO 91 4.023 1.027 -17.294 675 2HD PRO 91 1HD PRO 91 5.383 -0.078 -17.598 676 HA PRO 92 HA PRO 92 5.116 5.989 -20.935 677 1HB PRO 92 2HB PRO 92 5.549 6.105 -23.637 678 2HB PRO 92 1HB PRO 92 6.842 6.316 -22.440 679 1HG PRO 92 2HG PRO 92 6.148 3.932 -24.072 680 2HG PRO 92 1HG PRO 92 7.734 4.544 -23.586 681 1HD PRO 92 2HD PRO 92 6.476 2.426 -22.387 682 2HD PRO 92 1HD PRO 92 7.683 3.451 -21.582 683 H ALA 93 H ALA 93 3.943 3.068 -22.329 684 HA ALA 93 HA ALA 93 1.607 4.392 -23.591 685 1HB ALA 93 1HB ALA 93 3.058 1.867 -23.723 686 2HB ALA 93 2HB ALA 93 1.959 2.577 -24.907 687 3HB ALA 93 3HB ALA 93 1.320 1.599 -23.586 688 H LEU 94 H LEU 94 2.200 4.380 -20.619 689 HA LEU 94 HA LEU 94 -0.343 3.091 -19.702 690 1HB LEU 94 2HB LEU 94 2.449 2.807 -18.904 691 2HB LEU 94 1HB LEU 94 1.422 3.245 -17.539 692 HG LEU 94 HG LEU 94 1.465 0.834 -17.706 693 1HD1 LEU 94 1HD1 LEU 94 -1.123 0.803 -18.797 694 2HD1 LEU 94 2HD1 LEU 94 -0.932 2.419 -18.116 695 3HD1 LEU 94 3HD1 LEU 94 -0.695 1.004 -17.099 696 1HD2 LEU 94 1HD2 LEU 94 1.528 1.436 -20.512 697 2HD2 LEU 94 2HD2 LEU 94 0.160 0.371 -20.188 698 3HD2 LEU 94 3HD2 LEU 94 1.784 -0.118 -19.720 699 H VAL 95 H VAL 95 1.925 5.768 -19.391 700 HA VAL 95 HA VAL 95 0.418 7.092 -17.264 701 HB VAL 95 HB VAL 95 2.113 8.901 -17.772 702 1HG1 VAL 95 1HG1 VAL 95 2.424 6.696 -16.333 703 2HG1 VAL 95 2HG1 VAL 95 3.790 7.767 -16.645 704 3HG1 VAL 95 3HG1 VAL 95 3.584 6.300 -17.601 705 1HG2 VAL 95 1HG2 VAL 95 3.705 7.122 -19.470 706 2HG2 VAL 95 2HG2 VAL 95 3.369 8.843 -19.655 707 3HG2 VAL 95 3HG2 VAL 95 2.212 7.651 -20.246 708 HA PRO 96 HA PRO 96 -2.428 9.187 -19.887 709 1HB PRO 96 2HB PRO 96 -3.051 11.258 -18.195 710 2HB PRO 96 1HB PRO 96 -3.670 9.608 -17.970 711 1HG PRO 96 2HG PRO 96 -1.383 10.969 -16.620 712 2HG PRO 96 1HG PRO 96 -2.627 9.910 -15.934 713 1HD PRO 96 2HD PRO 96 -0.132 9.038 -16.494 714 2HD PRO 96 1HD PRO 96 -1.562 7.985 -16.624 715 HA PRO 97 HA PRO 97 -0.172 12.446 -21.763 716 1HB PRO 97 2HB PRO 97 -2.110 14.255 -22.469 717 2HB PRO 97 1HB PRO 97 -1.895 12.699 -23.295 718 1HG PRO 97 2HG PRO 97 -3.876 13.479 -21.211 719 2HG PRO 97 1HG PRO 97 -4.087 12.462 -22.645 720 1HD PRO 97 2HD PRO 97 -3.796 11.459 -20.130 721 2HD PRO 97 1HD PRO 97 -3.290 10.586 -21.595 722 H SER 98 H SER 98 0.220 12.683 -19.139 723 HA SER 98 HA SER 98 0.186 15.610 -18.708 724 1HB SER 98 2HB SER 98 -1.599 15.232 -17.299 725 2HB SER 98 1HB SER 98 -1.246 13.511 -17.180 726 HG SER 98 HG SER 98 0.363 13.978 -15.698 727 H LYS 99 H LYS 99 1.190 12.450 -17.477 728 HA LYS 99 HA LYS 99 3.696 13.610 -16.411 729 1HB LYS 99 2HB LYS 99 2.135 11.769 -15.379 730 2HB LYS 99 1HB LYS 99 2.939 10.691 -16.521 731 1HG LYS 99 2HG LYS 99 4.709 12.474 -14.932 732 2HG LYS 99 1HG LYS 99 3.909 11.174 -14.047 733 1HD LYS 99 2HD LYS 99 4.711 9.732 -16.134 734 2HD LYS 99 1HD LYS 99 5.925 11.007 -16.250 735 1HE LYS 99 2HE LYS 99 5.350 9.505 -13.677 736 2HE LYS 99 1HE LYS 99 6.640 9.052 -14.809 737 1HZ LYS 99 1HZ LYS 99 7.631 11.177 -14.602 738 2HZ LYS 99 2HZ LYS 99 7.324 10.648 -13.016 739 3HZ LYS 99 3HZ LYS 99 6.309 11.801 -13.743 740 H ARG 100 H ARG 100 2.622 12.893 -19.419 741 HA ARG 100 HA ARG 100 4.578 11.060 -20.466 742 1HB ARG 100 2HB ARG 100 2.575 13.002 -21.411 743 2HB ARG 100 1HB ARG 100 3.927 12.785 -22.524 744 1HG ARG 100 2HG ARG 100 3.542 10.440 -22.701 745 2HG ARG 100 1HG ARG 100 2.459 10.439 -21.308 746 1HD ARG 100 2HD ARG 100 1.259 12.279 -23.002 747 2HD ARG 100 1HD ARG 100 1.856 11.034 -24.117 748 HE ARG 100 HE ARG 100 0.400 10.173 -21.664 749 1HH1 ARG 100 1HH2 ARG 100 -0.963 11.355 -24.294 750 2HH1 ARG 100 2HH2 ARG 100 -1.527 9.869 -24.984 751 1HH2 ARG 100 2HH1 ARG 100 0.365 7.864 -22.885 752 2HH2 ARG 100 1HH1 ARG 100 -0.776 7.895 -24.188 753 H SER 107 1H SER 107 8.905 3.915 1.318 754 HA SER 107 HA SER 107 7.462 3.390 3.028 755 1HB SER 107 2HB SER 107 6.931 5.098 4.754 756 2HB SER 107 1HB SER 107 8.670 4.872 4.583 757 HG SER 107 HG SER 107 8.081 7.087 4.600 758 H THR 108 H THR 108 5.933 3.153 1.298 759 HA THR 108 HA THR 108 3.778 5.132 1.271 760 HB THR 108 HB THR 108 5.628 4.735 -1.102 761 HG1 THR 108 HG1 THR 108 6.067 6.848 -0.791 762 1HG2 THR 108 1HG2 THR 108 3.006 6.251 -0.966 763 2HG2 THR 108 2HG2 THR 108 3.248 4.718 -1.803 764 3HG2 THR 108 3HG2 THR 108 4.085 6.168 -2.357 765 H ASN 109 H ASN 109 5.142 2.602 -0.882 766 HA ASN 109 HA ASN 109 2.739 1.509 -1.828 767 1HB ASN 109 2HB ASN 109 5.131 1.026 -2.488 768 2HB ASN 109 1HB ASN 109 5.249 -0.012 -1.064 769 1HD2 ASN 109 1HD2 ASN 109 3.567 0.379 -4.181 770 2HD2 ASN 109 2HD2 ASN 109 3.061 -1.234 -4.302 771 HA PRO 110 HA PRO 110 1.229 0.156 2.211 772 1HB PRO 110 2HB PRO 110 -1.336 -0.251 1.351 773 2HB PRO 110 1HB PRO 110 -0.694 1.354 1.757 774 1HG PRO 110 2HG PRO 110 -1.039 0.079 -0.913 775 2HG PRO 110 1HG PRO 110 -1.358 1.744 -0.411 776 1HD PRO 110 2HD PRO 110 0.869 1.030 -1.773 777 2HD PRO 110 1HD PRO 110 0.837 2.372 -0.613 778 H PHE 111 H PHE 111 1.990 -1.607 -0.496 779 HA PHE 111 HA PHE 111 0.575 -4.075 0.402 780 1HB PHE 111 2HB PHE 111 2.292 -3.696 -2.068 781 2HB PHE 111 1HB PHE 111 1.018 -4.886 -1.803 782 HD1 PHE 111 HD1 PHE 111 1.681 -1.258 -2.269 783 HD2 PHE 111 HD2 PHE 111 -1.296 -4.365 -2.257 784 HE1 PHE 111 HE1 PHE 111 0.017 0.322 -3.191 785 HE2 PHE 111 HE2 PHE 111 -2.947 -2.771 -3.167 786 HZ PHE 111 HZ PHE 111 -2.292 -0.426 -3.630 787 H ARG 112 HN ARG 112 3.825 -3.255 -0.834 788 HA ARG 112 HA ARG 112 5.103 -5.501 0.419 789 1HB ARG 112 2HB ARG 112 5.842 -3.006 -1.016 790 2HB ARG 112 1HB ARG 112 7.105 -3.728 -0.018 791 1HG ARG 112 2HG ARG 112 6.996 -5.796 -1.197 792 2HG ARG 112 1HG ARG 112 5.486 -5.349 -1.988 793 1HD ARG 112 2HD ARG 112 6.560 -3.798 -3.425 794 2HD ARG 112 1HD ARG 112 8.018 -3.747 -2.415 795 HE ARG 112 HE ARG 112 7.279 -6.378 -3.554 796 1HH1 ARG 112 1HH2 ARG 112 8.657 -3.530 -4.666 797 2HH1 ARG 112 2HH2 ARG 112 10.160 -4.240 -5.154 798 1HH2 ARG 112 1HH1 ARG 112 9.474 -7.322 -3.723 799 2HH2 ARG 112 2HH1 ARG 112 10.622 -6.385 -4.620 Start of MODEL 11 1 HA PRO 6 HA PRO 6 -0.573 7.585 -26.566 2 1HB PRO 6 2HB PRO 6 -2.226 5.418 -26.787 3 2HB PRO 6 1HB PRO 6 -1.856 6.493 -28.148 4 1HG PRO 6 2HG PRO 6 -0.768 3.804 -27.511 5 2HG PRO 6 1HG PRO 6 -1.140 4.531 -29.081 6 1HD PRO 6 2HD PRO 6 1.392 4.314 -28.031 7 2HD PRO 6 1HD PRO 6 0.908 5.515 -29.248 8 H TRP 7 H TRP 7 -2.316 6.286 -24.925 9 HA TRP 7 HA TRP 7 -0.640 5.658 -22.577 10 1HB TRP 7 2HB TRP 7 -2.572 7.239 -22.561 11 2HB TRP 7 1HB TRP 7 -3.643 5.892 -22.940 12 HD1 TRP 7 HD1 TRP 7 -0.815 5.039 -20.662 13 HE1 TRP 7 HE1 TRP 7 -1.687 4.730 -18.254 14 HE3 TRP 7 HE3 TRP 7 -5.547 6.857 -21.208 15 HZ2 TRP 7 HZ2 TRP 7 -4.082 5.198 -16.759 16 HZ3 TRP 7 HZ3 TRP 7 -7.104 6.915 -19.284 17 HH2 TRP 7 HH2 TRP 7 -6.379 6.089 -17.060 18 H ALA 8 H ALA 8 -0.124 3.560 -22.122 19 HA ALA 8 HA ALA 8 -0.836 1.238 -23.425 20 1HB ALA 8 1HB ALA 8 0.845 1.283 -21.705 21 2HB ALA 8 2HB ALA 8 -0.397 0.157 -21.156 22 3HB ALA 8 3HB ALA 8 -0.329 1.788 -20.489 23 H VAL 9 H VAL 9 -2.781 3.045 -21.128 24 HA VAL 9 HA VAL 9 -4.842 0.899 -21.062 25 HB VAL 9 HB VAL 9 -4.459 3.535 -19.612 26 1HG1 VAL 9 1HG1 VAL 9 -6.813 1.831 -19.932 27 2HG1 VAL 9 2HG1 VAL 9 -6.687 3.450 -19.244 28 3HG1 VAL 9 3HG1 VAL 9 -6.356 2.039 -18.240 29 1HG2 VAL 9 1HG2 VAL 9 -3.107 1.272 -19.180 30 2HG2 VAL 9 2HG2 VAL 9 -4.572 0.852 -18.291 31 3HG2 VAL 9 3HG2 VAL 9 -3.647 2.286 -17.842 32 H LYS 10 H LYS 10 -7.015 1.351 -21.741 33 HA LYS 10 HA LYS 10 -7.205 3.523 -23.787 34 1HB LYS 10 2HB LYS 10 -8.388 0.799 -23.343 35 2HB LYS 10 1HB LYS 10 -9.282 1.953 -24.327 36 1HG LYS 10 2HG LYS 10 -6.429 1.039 -24.789 37 2HG LYS 10 1HG LYS 10 -7.833 0.595 -25.759 38 1HD LYS 10 2HD LYS 10 -7.733 3.455 -25.546 39 2HD LYS 10 1HD LYS 10 -6.153 2.870 -26.065 40 1HE LYS 10 2HE LYS 10 -7.430 1.427 -27.780 41 2HE LYS 10 1HE LYS 10 -8.831 2.452 -27.410 42 1HZ LYS 10 1HZ LYS 10 -7.909 3.851 -28.889 43 2HZ LYS 10 2HZ LYS 10 -6.377 3.123 -28.792 44 3HZ LYS 10 3HZ LYS 10 -6.855 4.261 -27.625 45 HA PRO 11 HA PRO 11 -10.373 5.625 -21.577 46 1HB PRO 11 2HB PRO 11 -12.394 5.934 -23.407 47 2HB PRO 11 1HB PRO 11 -10.886 6.868 -23.464 48 1HG PRO 11 2HG PRO 11 -11.669 4.443 -25.015 49 2HG PRO 11 1HG PRO 11 -10.827 5.905 -25.560 50 1HD PRO 11 2HD PRO 11 -9.517 3.608 -25.041 51 2HD PRO 11 1HD PRO 11 -8.788 5.200 -24.738 52 H GLU 12 H GLU 12 -11.464 2.816 -23.431 53 HA GLU 12 HA GLU 12 -13.884 2.351 -21.919 54 1HB GLU 12 2HB GLU 12 -14.002 1.204 -23.892 55 2HB GLU 12 1HB GLU 12 -12.250 1.145 -24.054 56 1HG GLU 12 2HG GLU 12 -12.144 -0.739 -22.494 57 2HG GLU 12 1HG GLU 12 -13.889 -0.658 -22.250 58 H ASP 13 H ASP 13 -10.500 1.445 -21.568 59 HA ASP 13 HA ASP 13 -10.997 -0.483 -19.406 60 1HB ASP 13 2HB ASP 13 -8.784 0.549 -21.058 61 2HB ASP 13 1HB ASP 13 -8.316 0.223 -19.388 62 H LYS 14 H LYS 14 -10.066 2.887 -19.802 63 HA LYS 14 HA LYS 14 -9.450 3.366 -17.002 64 1HB LYS 14 2HB LYS 14 -8.432 4.839 -18.502 65 2HB LYS 14 1HB LYS 14 -9.856 4.925 -19.533 66 1HG LYS 14 2HG LYS 14 -9.666 7.044 -18.413 67 2HG LYS 14 1HG LYS 14 -11.011 6.188 -17.665 68 1HD LYS 14 2HD LYS 14 -9.888 5.870 -15.685 69 2HD LYS 14 1HD LYS 14 -8.315 5.754 -16.478 70 1HE LYS 14 2HE LYS 14 -8.207 7.847 -15.374 71 2HE LYS 14 1HE LYS 14 -8.687 8.297 -17.020 72 1HZ LYS 14 1HZ LYS 14 -10.556 9.123 -16.182 73 2HZ LYS 14 2HZ LYS 14 -10.144 8.602 -14.618 74 3HZ LYS 14 3HZ LYS 14 -11.002 7.572 -15.661 75 H ALA 15 H ALA 15 -12.300 3.057 -18.877 76 HA ALA 15 HA ALA 15 -14.044 4.744 -17.248 77 1HB ALA 15 1HB ALA 15 -14.285 4.030 -19.708 78 2HB ALA 15 2HB ALA 15 -15.738 3.894 -18.717 79 3HB ALA 15 3HB ALA 15 -14.788 2.457 -19.090 80 H LYS 16 H LYS 16 -13.216 1.293 -17.465 81 HA LYS 16 HA LYS 16 -15.081 0.530 -15.345 82 1HB LYS 16 2HB LYS 16 -14.442 -1.615 -15.945 83 2HB LYS 16 1HB LYS 16 -14.002 -0.755 -17.417 84 1HG LYS 16 2HG LYS 16 -11.694 -0.496 -16.529 85 2HG LYS 16 1HG LYS 16 -12.157 -1.473 -15.135 86 1HD LYS 16 2HD LYS 16 -12.805 -2.642 -17.777 87 2HD LYS 16 1HD LYS 16 -11.084 -2.523 -17.404 88 1HE LYS 16 2HE LYS 16 -12.222 -3.463 -15.026 89 2HE LYS 16 1HE LYS 16 -13.068 -4.355 -16.306 90 1HZ LYS 16 1HZ LYS 16 -10.171 -4.186 -15.780 91 2HZ LYS 16 2HZ LYS 16 -10.737 -4.534 -17.342 92 3HZ LYS 16 3HZ LYS 16 -11.124 -5.563 -16.047 93 H TYR 17 H TYR 17 -11.806 1.630 -15.653 94 HA TYR 17 HA TYR 17 -10.887 0.801 -13.010 95 1HB TYR 17 2HB TYR 17 -9.946 2.901 -15.001 96 2HB TYR 17 1HB TYR 17 -9.024 2.364 -13.600 97 HD1 TYR 17 HD1 TYR 17 -7.549 2.052 -15.927 98 HD2 TYR 17 HD2 TYR 17 -10.732 -0.468 -14.546 99 HE1 TYR 17 HE1 TYR 17 -6.618 0.166 -17.242 100 HE2 TYR 17 HE2 TYR 17 -9.816 -2.352 -15.865 101 HH TYR 17 HH TYR 17 -7.149 -1.900 -18.108 102 H ASP 18 H ASP 18 -12.299 3.683 -14.500 103 HA ASP 18 HA ASP 18 -12.066 5.406 -12.187 104 1HB ASP 18 2HB ASP 18 -12.392 6.093 -14.576 105 2HB ASP 18 1HB ASP 18 -14.029 5.438 -14.507 106 H ALA 19 H ALA 19 -14.191 2.798 -13.020 107 HA ALA 19 HA ALA 19 -16.385 3.640 -11.245 108 1HB ALA 19 1HB ALA 19 -15.968 0.852 -12.281 109 2HB ALA 19 2HB ALA 19 -16.312 2.135 -13.442 110 3HB ALA 19 3HB ALA 19 -17.464 1.777 -12.155 111 H ILE 20 H ILE 20 -13.663 1.359 -11.256 112 HA ILE 20 HA ILE 20 -14.244 0.262 -8.631 113 HB ILE 20 HB ILE 20 -11.852 0.305 -10.500 114 1HG1 ILE 20 2HG1 ILE 20 -13.599 -2.044 -9.759 115 2HG1 ILE 20 1HG1 ILE 20 -14.042 -0.949 -11.070 116 1HG2 ILE 20 1HG2 ILE 20 -10.650 -1.016 -9.049 117 2HG2 ILE 20 2HG2 ILE 20 -12.094 -1.669 -8.279 118 3HG2 ILE 20 3HG2 ILE 20 -11.541 -0.043 -7.881 119 1HD1 ILE 20 1HD1 ILE 20 -11.406 -2.439 -10.869 120 2HD1 ILE 20 2HD1 ILE 20 -11.906 -1.388 -12.194 121 3HD1 ILE 20 3HD1 ILE 20 -12.757 -2.906 -11.903 122 H PHE 21 H PHE 21 -12.311 2.841 -10.035 123 HA PHE 21 HA PHE 21 -10.833 3.546 -7.668 124 1HB PHE 21 2HB PHE 21 -9.887 4.402 -9.597 125 2HB PHE 21 1HB PHE 21 -11.451 4.628 -10.375 126 HD1 PHE 21 HD1 PHE 21 -8.894 6.140 -8.232 127 HD2 PHE 21 HD2 PHE 21 -12.837 6.613 -9.870 128 HE1 PHE 21 HE1 PHE 21 -8.854 8.547 -7.635 129 HE2 PHE 21 HE2 PHE 21 -12.797 9.017 -9.272 130 HZ PHE 21 HZ PHE 21 -10.810 9.984 -8.155 131 H ASP 22 H ASP 22 -13.876 4.651 -9.113 132 HA ASP 22 HA ASP 22 -14.386 6.577 -6.953 133 1HB ASP 22 2HB ASP 22 -15.127 7.236 -9.093 134 2HB ASP 22 1HB ASP 22 -15.760 5.631 -9.466 135 H SER 23 H SER 23 -14.603 3.264 -7.167 136 HA SER 23 HA SER 23 -17.187 2.935 -5.774 137 1HB SER 23 2HB SER 23 -16.440 1.300 -7.434 138 2HB SER 23 1HB SER 23 -14.933 1.053 -6.558 139 HG SER 23 HG SER 23 -16.919 -0.410 -6.240 140 H LEU 24 H LEU 24 -14.001 3.696 -4.976 141 HA LEU 24 HA LEU 24 -14.127 2.528 -2.232 142 1HB LEU 24 2HB LEU 24 -11.874 4.149 -3.395 143 2HB LEU 24 1HB LEU 24 -11.789 2.808 -2.254 144 HG LEU 24 HG LEU 24 -12.601 2.549 -5.157 145 1HD1 LEU 24 1HD1 LEU 24 -10.048 2.988 -4.088 146 2HD1 LEU 24 2HD1 LEU 24 -10.415 2.357 -5.694 147 3HD1 LEU 24 3HD1 LEU 24 -10.126 1.249 -4.356 148 1HD2 LEU 24 1HD2 LEU 24 -13.508 0.829 -3.609 149 2HD2 LEU 24 2HD2 LEU 24 -11.867 0.488 -3.059 150 3HD2 LEU 24 3HD2 LEU 24 -12.326 0.145 -4.727 151 H SER 25 H SER 25 -14.741 5.351 -3.990 152 HA SER 25 HA SER 25 -15.657 7.413 -3.179 153 1HB SER 25 2HB SER 25 -14.420 6.841 -0.492 154 2HB SER 25 1HB SER 25 -15.872 7.765 -0.862 155 HG SER 25 HG SER 25 -16.888 5.822 -1.430 156 HA PRO 26 HA PRO 26 -11.427 8.807 -3.993 157 1HB PRO 26 2HB PRO 26 -12.169 10.652 -5.865 158 2HB PRO 26 1HB PRO 26 -11.947 8.932 -6.241 159 1HG PRO 26 2HG PRO 26 -14.451 10.463 -5.796 160 2HG PRO 26 1HG PRO 26 -14.117 9.144 -6.929 161 1HD PRO 26 2HD PRO 26 -15.472 8.839 -4.565 162 2HD PRO 26 1HD PRO 26 -14.589 7.533 -5.384 163 H VAL 27 H VAL 27 -10.408 10.747 -3.368 164 HA VAL 27 HA VAL 27 -12.167 12.772 -2.029 165 HB VAL 27 HB VAL 27 -9.393 11.766 -1.301 166 1HG1 VAL 27 1HG1 VAL 27 -11.280 13.644 0.155 167 2HG1 VAL 27 2HG1 VAL 27 -9.795 14.124 -0.668 168 3HG1 VAL 27 3HG1 VAL 27 -9.719 13.085 0.755 169 1HG2 VAL 27 1HG2 VAL 27 -10.630 10.814 0.683 170 2HG2 VAL 27 2HG2 VAL 27 -11.062 10.059 -0.853 171 3HG2 VAL 27 3HG2 VAL 27 -12.140 11.247 -0.119 172 H ASN 28 H ASN 28 -12.170 14.284 -3.726 173 HA ASN 28 HA ASN 28 -11.285 16.100 -4.962 174 1HB ASN 28 2HB ASN 28 -9.888 16.201 -2.789 175 2HB ASN 28 1HB ASN 28 -8.622 15.399 -3.720 176 1HD2 ASN 28 1HD2 ASN 28 -8.505 16.558 -6.111 177 2HD2 ASN 28 2HD2 ASN 28 -8.341 18.247 -6.017 178 H GLY 29 H GLY 29 -11.109 13.106 -5.672 179 1HA GLY 29 2HA GLY 29 -10.585 12.135 -7.786 180 2HA GLY 29 1HA GLY 29 -9.518 13.500 -8.124 181 H PHE 30 H PHE 30 -9.471 11.495 -5.215 182 HA PHE 30 HA PHE 30 -6.947 10.201 -6.115 183 1HB PHE 30 2HB PHE 30 -7.332 12.005 -3.716 184 2HB PHE 30 1HB PHE 30 -5.918 10.962 -3.927 185 HD1 PHE 30 HD1 PHE 30 -7.342 14.132 -4.656 186 HD2 PHE 30 HD2 PHE 30 -4.700 11.136 -6.222 187 HE1 PHE 30 HE1 PHE 30 -6.346 15.813 -6.165 188 HE2 PHE 30 HE2 PHE 30 -3.688 12.827 -7.740 189 HZ PHE 30 HZ PHE 30 -4.511 15.169 -7.710 190 H LEU 31 H LEU 31 -6.644 8.199 -5.230 191 HA LEU 31 HA LEU 31 -8.627 7.286 -3.164 192 1HB LEU 31 2HB LEU 31 -7.152 5.930 -5.428 193 2HB LEU 31 1HB LEU 31 -7.774 4.983 -4.076 194 HG LEU 31 HG LEU 31 -9.324 6.625 -6.068 195 1HD1 LEU 31 1HD1 LEU 31 -9.262 4.481 -6.889 196 2HD1 LEU 31 2HD1 LEU 31 -10.580 4.254 -5.739 197 3HD1 LEU 31 3HD1 LEU 31 -8.935 3.784 -5.298 198 1HD2 LEU 31 1HD2 LEU 31 -10.347 7.259 -4.010 199 2HD2 LEU 31 2HD2 LEU 31 -10.129 5.651 -3.318 200 3HD2 LEU 31 3HD2 LEU 31 -11.319 5.909 -4.595 201 H SER 32 H SER 32 -7.743 6.522 -1.245 202 HA SER 32 HA SER 32 -4.869 6.983 -0.862 203 1HB SER 32 2HB SER 32 -5.781 5.972 1.481 204 2HB SER 32 1HB SER 32 -5.989 7.659 1.023 205 HG SER 32 HG SER 32 -7.828 5.594 0.382 206 H GLY 33 H GLY 33 -3.323 5.381 -0.526 207 1HA GLY 33 2HA GLY 33 -3.521 2.890 -1.747 208 2HA GLY 33 1HA GLY 33 -2.459 3.178 -0.365 209 H ASP 34 H ASP 34 -4.840 3.918 1.298 210 HA ASP 34 HA ASP 34 -5.387 1.328 2.430 211 1HB ASP 34 2HB ASP 34 -5.916 4.154 2.915 212 2HB ASP 34 1HB ASP 34 -7.254 3.119 3.408 213 H LYS 35 H LYS 35 -7.000 3.286 -0.017 214 HA LYS 35 HA LYS 35 -9.474 1.659 0.156 215 1HB LYS 35 2HB LYS 35 -8.504 4.036 -1.458 216 2HB LYS 35 1HB LYS 35 -10.038 3.239 -1.802 217 1HG LYS 35 2HG LYS 35 -10.856 3.716 0.431 218 2HG LYS 35 1HG LYS 35 -9.284 4.360 0.909 219 1HD LYS 35 2HD LYS 35 -9.511 6.267 -0.452 220 2HD LYS 35 1HD LYS 35 -10.782 5.530 -1.428 221 1HE LYS 35 2HE LYS 35 -11.615 7.268 0.224 222 2HE LYS 35 1HE LYS 35 -12.359 5.669 0.427 223 1HZ LYS 35 1HZ LYS 35 -10.780 5.132 2.125 224 2HZ LYS 35 2HZ LYS 35 -11.497 6.617 2.533 225 3HZ LYS 35 3HZ LYS 35 -9.930 6.579 1.877 226 H VAL 36 H VAL 36 -6.623 2.230 -1.828 227 HA VAL 36 HA VAL 36 -7.434 0.402 -3.968 228 HB VAL 36 HB VAL 36 -4.812 1.690 -3.186 229 1HG1 VAL 36 1HG1 VAL 36 -5.263 1.012 -5.998 230 2HG1 VAL 36 2HG1 VAL 36 -5.214 -0.402 -4.944 231 3HG1 VAL 36 3HG1 VAL 36 -3.851 0.716 -4.982 232 1HG2 VAL 36 1HG2 VAL 36 -5.410 3.487 -4.540 233 2HG2 VAL 36 2HG2 VAL 36 -6.959 3.068 -3.814 234 3HG2 VAL 36 3HG2 VAL 36 -6.582 2.541 -5.456 235 H LYS 37 H LYS 37 -5.007 0.333 -1.349 236 HA LYS 37 HA LYS 37 -3.735 -2.053 -1.688 237 1HB LYS 37 2HB LYS 37 -3.242 -0.748 0.213 238 2HB LYS 37 1HB LYS 37 -4.920 -0.728 0.745 239 1HG LYS 37 2HG LYS 37 -4.709 -2.697 1.848 240 2HG LYS 37 1HG LYS 37 -3.791 -3.433 0.531 241 1HD LYS 37 2HD LYS 37 -1.779 -2.172 1.253 242 2HD LYS 37 1HD LYS 37 -2.700 -1.507 2.604 243 1HE LYS 37 2HE LYS 37 -1.512 -3.395 3.494 244 2HE LYS 37 1HE LYS 37 -3.179 -3.958 3.261 245 1HZ LYS 37 1HZ LYS 37 -1.379 -5.411 2.275 246 2HZ LYS 37 2HZ LYS 37 -1.116 -4.170 1.144 247 3HZ LYS 37 3HZ LYS 37 -2.623 -4.952 1.218 248 HA PRO 38 HA PRO 38 -7.359 -4.605 0.192 249 1HB PRO 38 2HB PRO 38 -9.796 -3.347 0.291 250 2HB PRO 38 1HB PRO 38 -8.654 -3.363 1.651 251 1HG PRO 38 2HG PRO 38 -9.146 -1.240 -0.387 252 2HG PRO 38 1HG PRO 38 -8.896 -1.088 1.361 253 1HD PRO 38 2HD PRO 38 -6.936 -0.571 -0.396 254 2HD PRO 38 1HD PRO 38 -6.605 -1.302 1.191 255 H VAL 39 H VAL 39 -7.986 -2.208 -2.291 256 HA VAL 39 HA VAL 39 -9.854 -3.772 -3.851 257 HB VAL 39 HB VAL 39 -8.151 -1.320 -4.129 258 1HG1 VAL 39 1HG1 VAL 39 -9.600 -1.443 -6.508 259 2HG1 VAL 39 2HG1 VAL 39 -8.880 -3.043 -6.368 260 3HG1 VAL 39 3HG1 VAL 39 -7.853 -1.607 -6.344 261 1HG2 VAL 39 1HG2 VAL 39 -10.881 -2.003 -3.604 262 2HG2 VAL 39 2HG2 VAL 39 -10.817 -1.043 -5.083 263 3HG2 VAL 39 3HG2 VAL 39 -10.127 -0.411 -3.590 264 H LEU 40 H LEU 40 -6.342 -3.490 -3.680 265 HA LEU 40 HA LEU 40 -5.906 -5.129 -6.086 266 1HB LEU 40 2HB LEU 40 -4.051 -4.103 -3.910 267 2HB LEU 40 1HB LEU 40 -3.560 -4.711 -5.495 268 HG LEU 40 HG LEU 40 -5.507 -2.428 -5.189 269 1HD1 LEU 40 1HD1 LEU 40 -3.620 -1.487 -4.202 270 2HD1 LEU 40 2HD1 LEU 40 -3.385 -1.081 -5.903 271 3HD1 LEU 40 3HD1 LEU 40 -2.503 -2.432 -5.187 272 1HD2 LEU 40 1HD2 LEU 40 -3.778 -3.505 -7.417 273 2HD2 LEU 40 2HD2 LEU 40 -4.669 -1.985 -7.517 274 3HD2 LEU 40 3HD2 LEU 40 -5.540 -3.509 -7.332 275 H LEU 41 H LEU 41 -6.041 -5.518 -2.603 276 HA LEU 41 HA LEU 41 -4.768 -8.103 -2.473 277 1HB LEU 41 2HB LEU 41 -6.729 -6.570 -0.746 278 2HB LEU 41 1HB LEU 41 -6.044 -8.120 -0.262 279 HG LEU 41 HG LEU 41 -4.320 -5.781 -1.081 280 1HD1 LEU 41 1HD1 LEU 41 -5.061 -4.789 0.827 281 2HD1 LEU 41 2HD1 LEU 41 -4.090 -6.007 1.655 282 3HD1 LEU 41 3HD1 LEU 41 -5.815 -6.274 1.406 283 1HD2 LEU 41 1HD2 LEU 41 -2.681 -7.307 -0.826 284 2HD2 LEU 41 2HD2 LEU 41 -3.888 -8.536 -0.445 285 3HD2 LEU 41 3HD2 LEU 41 -3.182 -7.562 0.846 286 H ASN 42 H ASN 42 -7.733 -6.989 -3.727 287 HA ASN 42 HA ASN 42 -9.205 -9.480 -3.210 288 1HB ASN 42 2HB ASN 42 -9.824 -6.795 -3.606 289 2HB ASN 42 1HB ASN 42 -10.333 -7.561 -5.112 290 1HD2 ASN 42 1HD2 ASN 42 -12.353 -6.565 -3.476 291 2HD2 ASN 42 2HD2 ASN 42 -13.186 -7.843 -2.730 292 H SER 43 H SER 43 -6.918 -8.444 -5.439 293 HA SER 43 HA SER 43 -8.037 -9.698 -7.840 294 1HB SER 43 2HB SER 43 -5.143 -9.131 -7.627 295 2HB SER 43 1HB SER 43 -6.305 -8.597 -8.838 296 HG SER 43 HG SER 43 -5.322 -7.103 -7.050 297 H LYS 44 H LYS 44 -7.224 -11.173 -5.119 298 HA LYS 44 HA LYS 44 -6.358 -13.305 -4.579 299 1HB LYS 44 2HB LYS 44 -7.660 -13.338 -7.107 300 2HB LYS 44 1HB LYS 44 -6.216 -14.339 -7.268 301 1HG LYS 44 2HG LYS 44 -6.856 -15.658 -5.322 302 2HG LYS 44 1HG LYS 44 -8.238 -14.604 -5.023 303 1HD LYS 44 2HD LYS 44 -7.850 -16.218 -7.561 304 2HD LYS 44 1HD LYS 44 -8.848 -16.733 -6.202 305 1HE LYS 44 2HE LYS 44 -9.605 -14.053 -6.822 306 2HE LYS 44 1HE LYS 44 -9.578 -14.970 -8.342 307 1HZ LYS 44 1HZ LYS 44 -10.764 -16.775 -7.125 308 2HZ LYS 44 2HZ LYS 44 -11.680 -15.357 -7.316 309 3HZ LYS 44 3HZ LYS 44 -10.961 -15.712 -5.819 310 H LEU 45 H LEU 45 -4.610 -11.002 -5.855 311 HA LEU 45 HA LEU 45 -2.260 -12.624 -6.720 312 1HB LEU 45 2HB LEU 45 -3.266 -9.815 -7.005 313 2HB LEU 45 1HB LEU 45 -1.525 -10.089 -7.111 314 HG LEU 45 HG LEU 45 -3.568 -11.630 -8.731 315 1HD1 LEU 45 1HD1 LEU 45 -1.762 -9.446 -9.776 316 2HD1 LEU 45 2HD1 LEU 45 -3.380 -9.088 -9.174 317 3HD1 LEU 45 3HD1 LEU 45 -3.172 -10.168 -10.550 318 1HD2 LEU 45 1HD2 LEU 45 -1.080 -12.408 -8.145 319 2HD2 LEU 45 2HD2 LEU 45 -0.685 -11.295 -9.456 320 3HD2 LEU 45 3HD2 LEU 45 -1.761 -12.658 -9.753 321 HA PRO 46 HA PRO 46 -0.304 -11.902 -2.866 322 1HB PRO 46 2HB PRO 46 2.327 -11.893 -3.630 323 2HB PRO 46 1HB PRO 46 1.347 -13.369 -3.548 324 1HG PRO 46 2HG PRO 46 2.150 -11.766 -5.902 325 2HG PRO 46 1HG PRO 46 1.942 -13.513 -5.741 326 1HD PRO 46 2HD PRO 46 0.112 -11.830 -6.915 327 2HD PRO 46 1HD PRO 46 -0.280 -13.420 -6.229 328 H VAL 47 H VAL 47 0.987 -10.218 -1.730 329 HA VAL 47 HA VAL 47 0.396 -7.563 -2.576 330 HB VAL 47 HB VAL 47 2.224 -8.849 -0.537 331 1HG1 VAL 47 1HG1 VAL 47 3.164 -6.883 0.019 332 2HG1 VAL 47 2HG1 VAL 47 1.602 -6.065 -0.017 333 3HG1 VAL 47 3HG1 VAL 47 2.538 -6.241 -1.496 334 1HG2 VAL 47 1HG2 VAL 47 -0.500 -7.577 -0.553 335 2HG2 VAL 47 2HG2 VAL 47 0.436 -7.649 0.940 336 3HG2 VAL 47 3HG2 VAL 47 -0.010 -9.137 0.107 337 H ASP 48 H ASP 48 2.827 -9.751 -3.559 338 HA ASP 48 HA ASP 48 4.929 -7.877 -4.082 339 1HB ASP 48 2HB ASP 48 4.779 -10.527 -3.959 340 2HB ASP 48 1HB ASP 48 4.507 -10.366 -5.693 341 H ILE 49 H ILE 49 2.045 -8.932 -5.769 342 HA ILE 49 HA ILE 49 2.791 -7.629 -8.285 343 HB ILE 49 HB ILE 49 0.031 -8.509 -7.438 344 1HG1 ILE 49 2HG1 ILE 49 1.418 -10.359 -6.784 345 2HG1 ILE 49 1HG1 ILE 49 0.695 -10.783 -8.332 346 1HG2 ILE 49 1HG2 ILE 49 -0.402 -8.169 -9.613 347 2HG2 ILE 49 2HG2 ILE 49 0.874 -9.301 -10.065 348 3HG2 ILE 49 3HG2 ILE 49 1.250 -7.593 -9.831 349 1HD1 ILE 49 1HD1 ILE 49 2.977 -11.349 -8.570 350 2HD1 ILE 49 2HD1 ILE 49 3.511 -9.864 -7.780 351 3HD1 ILE 49 3HD1 ILE 49 2.810 -9.802 -9.401 352 H LEU 50 H LEU 50 0.606 -7.098 -5.572 353 HA LEU 50 HA LEU 50 -0.491 -4.598 -6.535 354 1HB LEU 50 2HB LEU 50 -0.237 -5.550 -3.678 355 2HB LEU 50 1HB LEU 50 -1.519 -4.567 -4.382 356 HG LEU 50 HG LEU 50 -0.980 -7.508 -4.874 357 1HD1 LEU 50 1HD1 LEU 50 -2.240 -7.071 -2.854 358 2HD1 LEU 50 2HD1 LEU 50 -3.352 -7.679 -4.079 359 3HD1 LEU 50 3HD1 LEU 50 -3.305 -5.956 -3.710 360 1HD2 LEU 50 1HD2 LEU 50 -2.217 -5.497 -6.586 361 2HD2 LEU 50 2HD2 LEU 50 -3.350 -6.780 -6.163 362 3HD2 LEU 50 3HD2 LEU 50 -1.820 -7.176 -6.948 363 H GLY 51 H GLY 51 2.290 -5.574 -4.608 364 1HA GLY 51 2HA GLY 51 2.920 -2.942 -3.587 365 2HA GLY 51 1HA GLY 51 4.047 -4.301 -3.683 366 H ARG 52 H ARG 52 3.361 -4.618 -6.562 367 HA ARG 52 HA ARG 52 5.225 -2.558 -7.614 368 1HB ARG 52 2HB ARG 52 4.948 -5.339 -7.817 369 2HB ARG 52 1HB ARG 52 4.435 -4.713 -9.384 370 1HG ARG 52 2HG ARG 52 6.556 -3.289 -9.351 371 2HG ARG 52 1HG ARG 52 7.081 -4.289 -7.993 372 1HD ARG 52 2HD ARG 52 6.068 -5.980 -10.101 373 2HD ARG 52 1HD ARG 52 7.336 -4.911 -10.734 374 HE ARG 52 HE ARG 52 8.320 -5.771 -8.280 375 1HH1 ARG 52 1HH2 ARG 52 8.584 -6.622 -11.440 376 2HH1 ARG 52 2HH2 ARG 52 8.949 -8.296 -11.180 377 1HH2 ARG 52 2HH1 ARG 52 8.168 -8.214 -7.802 378 2HH2 ARG 52 1HH1 ARG 52 8.713 -9.198 -9.119 379 H VAL 53 H VAL 53 1.964 -3.932 -8.088 380 HA VAL 53 HA VAL 53 1.409 -2.551 -10.554 381 HB VAL 53 HB VAL 53 -0.279 -3.697 -8.314 382 1HG1 VAL 53 1HG1 VAL 53 -1.701 -3.317 -10.808 383 2HG1 VAL 53 2HG1 VAL 53 -1.119 -1.770 -10.196 384 3HG1 VAL 53 3HG1 VAL 53 -2.147 -2.787 -9.187 385 1HG2 VAL 53 1HG2 VAL 53 -0.071 -4.641 -11.181 386 2HG2 VAL 53 2HG2 VAL 53 -0.551 -5.555 -9.748 387 3HG2 VAL 53 3HG2 VAL 53 1.139 -5.109 -9.982 388 H TRP 54 H TRP 54 1.001 -1.690 -7.137 389 HA TRP 54 HA TRP 54 -0.415 0.781 -7.594 390 1HB TRP 54 2HB TRP 54 -0.554 -0.122 -5.425 391 2HB TRP 54 1HB TRP 54 1.173 -0.479 -5.362 392 HD1 TRP 54 HD1 TRP 54 2.836 1.699 -5.215 393 HE1 TRP 54 HE1 TRP 54 2.484 3.951 -4.054 394 HE3 TRP 54 HE3 TRP 54 -2.232 1.587 -4.650 395 HZ2 TRP 54 HZ2 TRP 54 0.318 5.515 -2.982 396 HZ3 TRP 54 HZ3 TRP 54 -3.421 3.467 -3.536 397 HH2 TRP 54 HH2 TRP 54 -2.147 5.428 -2.710 398 H GLU 55 H GLU 55 3.053 0.114 -6.868 399 HA GLU 55 HA GLU 55 4.003 2.745 -6.909 400 1HB GLU 55 2HB GLU 55 5.158 0.108 -7.789 401 2HB GLU 55 1HB GLU 55 6.121 1.587 -7.780 402 1HG GLU 55 2HG GLU 55 4.644 1.316 -5.308 403 2HG GLU 55 1HG GLU 55 5.636 -0.111 -5.597 404 H LEU 56 H LEU 56 3.786 0.555 -9.733 405 HA LEU 56 HA LEU 56 4.544 2.560 -11.654 406 1HB LEU 56 2HB LEU 56 2.842 0.053 -11.920 407 2HB LEU 56 1HB LEU 56 3.606 0.909 -13.258 408 HG LEU 56 HG LEU 56 5.437 0.215 -11.048 409 1HD1 LEU 56 1HD1 LEU 56 4.755 -2.065 -12.845 410 2HD1 LEU 56 2HD1 LEU 56 3.662 -1.743 -11.501 411 3HD1 LEU 56 3HD1 LEU 56 5.365 -2.084 -11.190 412 1HD2 LEU 56 1HD2 LEU 56 6.916 0.440 -12.754 413 2HD2 LEU 56 2HD2 LEU 56 5.556 0.880 -13.789 414 3HD2 LEU 56 3HD2 LEU 56 6.082 -0.799 -13.693 415 H SER 57 H SER 57 1.753 2.145 -9.750 416 HA SER 57 HA SER 57 -0.092 3.522 -11.615 417 1HB SER 57 2HB SER 57 -1.718 2.667 -10.220 418 2HB SER 57 1HB SER 57 -0.427 1.540 -9.836 419 HG SER 57 HG SER 57 -1.403 2.501 -7.974 420 H ASP 58 H ASP 58 1.348 3.958 -8.377 421 HA ASP 58 HA ASP 58 0.298 6.534 -7.792 422 1HB ASP 58 2HB ASP 58 1.877 4.651 -6.590 423 2HB ASP 58 1HB ASP 58 3.056 5.922 -6.916 424 H ILE 59 H ILE 59 0.512 7.534 -10.027 425 HA ILE 59 HA ILE 59 2.939 8.082 -11.353 426 HB ILE 59 HB ILE 59 0.443 9.776 -11.009 427 1HG1 ILE 59 2HG1 ILE 59 0.068 7.456 -11.847 428 2HG1 ILE 59 1HG1 ILE 59 -0.298 8.675 -13.069 429 1HG2 ILE 59 1HG2 ILE 59 1.248 11.210 -12.575 430 2HG2 ILE 59 2HG2 ILE 59 1.947 9.905 -13.534 431 3HG2 ILE 59 3HG2 ILE 59 2.828 10.552 -12.149 432 1HD1 ILE 59 1HD1 ILE 59 0.995 6.966 -14.159 433 2HD1 ILE 59 2HD1 ILE 59 2.196 6.968 -12.866 434 3HD1 ILE 59 3HD1 ILE 59 2.061 8.356 -13.946 435 H ASP 60 H ASP 60 1.604 9.514 -8.436 436 HA ASP 60 HA ASP 60 3.810 11.538 -8.401 437 1HB ASP 60 2HB ASP 60 2.323 12.620 -6.696 438 2HB ASP 60 1HB ASP 60 1.534 12.410 -8.260 439 H HIS 61 H HIS 61 2.755 8.592 -6.994 440 HA HIS 61 HA HIS 61 3.628 7.319 -5.202 441 1HB HIS 61 2HB HIS 61 5.868 9.354 -5.419 442 2HB HIS 61 1HB HIS 61 5.989 7.718 -4.773 443 HD1 HIS 61 HD1 HIS 61 5.325 5.766 -6.602 444 HD2 HIS 61 HD2 HIS 61 6.410 9.489 -8.133 445 HE1 HIS 61 HE1 HIS 61 5.917 5.394 -9.035 446 H ASP 62 H ASP 62 1.743 9.252 -4.433 447 HA ASP 62 HA ASP 62 2.932 10.476 -1.972 448 1HB ASP 62 2HB ASP 62 1.106 12.058 -2.146 449 2HB ASP 62 1HB ASP 62 1.822 11.901 -3.751 450 H GLY 63 H GLY 63 1.714 7.641 -2.645 451 1HA GLY 63 2HA GLY 63 0.683 6.042 -1.240 452 2HA GLY 63 1HA GLY 63 0.421 7.318 -0.049 453 H MET 64 H MET 64 -0.618 7.647 -3.391 454 HA MET 64 HA MET 64 -3.422 6.999 -2.661 455 1HB MET 64 2HB MET 64 -2.397 9.712 -3.537 456 2HB MET 64 1HB MET 64 -4.102 9.273 -3.512 457 1HG MET 64 2HG MET 64 -4.085 8.981 -1.144 458 2HG MET 64 1HG MET 64 -2.324 9.086 -1.080 459 1HE MET 64 1HE MET 64 -5.232 12.282 -0.375 460 2HE MET 64 2HE MET 64 -4.686 10.888 0.556 461 3HE MET 64 3HE MET 64 -5.603 10.643 -0.929 462 H LEU 65 H LEU 65 -4.838 6.980 -4.584 463 HA LEU 65 HA LEU 65 -3.308 6.707 -7.145 464 1HB LEU 65 2HB LEU 65 -5.120 4.894 -5.652 465 2HB LEU 65 1HB LEU 65 -5.354 4.936 -7.398 466 HG LEU 65 HG LEU 65 -2.772 4.332 -5.930 467 1HD1 LEU 65 1HD1 LEU 65 -3.314 2.164 -6.225 468 2HD1 LEU 65 2HD1 LEU 65 -3.667 2.434 -7.932 469 3HD1 LEU 65 3HD1 LEU 65 -4.921 2.697 -6.721 470 1HD2 LEU 65 1HD2 LEU 65 -3.193 5.495 -8.506 471 2HD2 LEU 65 2HD2 LEU 65 -2.652 3.836 -8.747 472 3HD2 LEU 65 3HD2 LEU 65 -1.674 4.952 -7.791 473 H ASP 66 H ASP 66 -4.015 8.514 -8.282 474 HA ASP 66 HA ASP 66 -6.654 9.660 -8.029 475 1HB ASP 66 2HB ASP 66 -4.320 10.533 -8.936 476 2HB ASP 66 1HB ASP 66 -4.954 9.939 -10.469 477 H ARG 67 H ARG 67 -8.243 9.692 -9.836 478 HA ARG 67 HA ARG 67 -9.177 7.208 -10.681 479 1HB ARG 67 2HB ARG 67 -10.198 8.601 -12.589 480 2HB ARG 67 1HB ARG 67 -10.537 9.136 -10.945 481 1HG ARG 67 2HG ARG 67 -8.129 10.407 -11.628 482 2HG ARG 67 1HG ARG 67 -9.129 10.522 -13.075 483 1HD ARG 67 2HD ARG 67 -10.469 11.100 -10.470 484 2HD ARG 67 1HD ARG 67 -9.340 12.319 -11.095 485 HE ARG 67 HE ARG 67 -11.081 11.335 -13.189 486 1HH1 ARG 67 1HH2 ARG 67 -11.913 12.675 -10.247 487 2HH1 ARG 67 2HH2 ARG 67 -12.667 14.094 -10.896 488 1HH2 ARG 67 2HH1 ARG 67 -11.617 13.491 -14.145 489 2HH2 ARG 67 1HH1 ARG 67 -12.499 14.555 -13.101 490 H ASP 68 H ASP 68 -6.836 9.290 -12.351 491 HA ASP 68 HA ASP 68 -6.550 7.522 -14.655 492 1HB ASP 68 2HB ASP 68 -4.913 9.143 -15.309 493 2HB ASP 68 1HB ASP 68 -6.161 10.047 -14.456 494 H GLU 69 H GLU 69 -4.700 8.189 -11.720 495 HA GLU 69 HA GLU 69 -2.504 6.404 -12.274 496 1HB GLU 69 2HB GLU 69 -3.697 7.336 -9.643 497 2HB GLU 69 1HB GLU 69 -2.052 6.749 -9.883 498 1HG GLU 69 2HG GLU 69 -1.781 8.627 -11.595 499 2HG GLU 69 1HG GLU 69 -3.291 9.284 -10.965 500 H PHE 70 H PHE 70 -5.577 6.038 -10.543 501 HA PHE 70 HA PHE 70 -5.203 3.356 -9.613 502 1HB PHE 70 2HB PHE 70 -6.924 5.093 -8.935 503 2HB PHE 70 1HB PHE 70 -7.753 4.774 -10.457 504 HD1 PHE 70 HD1 PHE 70 -6.935 3.474 -7.124 505 HD2 PHE 70 HD2 PHE 70 -8.822 2.599 -10.882 506 HE1 PHE 70 HE1 PHE 70 -8.083 1.533 -6.094 507 HE2 PHE 70 HE2 PHE 70 -9.974 0.663 -9.849 508 HZ PHE 70 HZ PHE 70 -9.603 0.129 -7.459 509 H ALA 71 H ALA 71 -5.905 4.739 -12.712 510 HA ALA 71 HA ALA 71 -7.134 2.433 -13.959 511 1HB ALA 71 1HB ALA 71 -5.546 4.692 -15.211 512 2HB ALA 71 2HB ALA 71 -7.207 4.883 -14.649 513 3HB ALA 71 3HB ALA 71 -6.842 3.761 -15.960 514 H VAL 72 H VAL 72 -3.826 3.726 -13.830 515 HA VAL 72 HA VAL 72 -2.593 1.803 -15.540 516 HB VAL 72 HB VAL 72 -1.530 3.340 -13.144 517 1HG1 VAL 72 1HG1 VAL 72 -0.287 1.506 -15.051 518 2HG1 VAL 72 2HG1 VAL 72 0.366 2.180 -13.558 519 3HG1 VAL 72 3HG1 VAL 72 0.477 3.097 -15.061 520 1HG2 VAL 72 1HG2 VAL 72 -2.700 4.571 -15.120 521 2HG2 VAL 72 2HG2 VAL 72 -1.266 4.122 -16.044 522 3HG2 VAL 72 3HG2 VAL 72 -1.109 5.135 -14.609 523 H ALA 73 H ALA 73 -3.576 1.697 -12.176 524 HA ALA 73 HA ALA 73 -2.088 -0.803 -11.645 525 1HB ALA 73 1HB ALA 73 -2.133 0.756 -9.877 526 2HB ALA 73 2HB ALA 73 -3.348 -0.437 -9.411 527 3HB ALA 73 3HB ALA 73 -3.846 1.104 -10.112 528 H MET 74 H MET 74 -5.001 -0.079 -13.152 529 HA MET 74 HA MET 74 -6.534 -2.335 -11.999 530 1HB MET 74 2HB MET 74 -6.983 -0.237 -14.136 531 2HB MET 74 1HB MET 74 -8.145 -1.532 -13.844 532 1HG MET 74 2HG MET 74 -7.175 0.028 -11.488 533 2HG MET 74 1HG MET 74 -8.334 0.801 -12.570 534 1HE MET 74 1HE MET 74 -8.307 -2.884 -10.201 535 2HE MET 74 2HE MET 74 -8.775 -1.533 -9.172 536 3HE MET 74 3HE MET 74 -7.314 -1.420 -10.150 537 H PHE 75 H PHE 75 -5.074 -1.437 -15.128 538 HA PHE 75 HA PHE 75 -5.614 -4.070 -16.273 539 1HB PHE 75 2HB PHE 75 -4.742 -3.117 -18.223 540 2HB PHE 75 1HB PHE 75 -5.301 -1.685 -17.368 541 HD1 PHE 75 HD1 PHE 75 -2.308 -3.778 -18.072 542 HD2 PHE 75 HD2 PHE 75 -3.784 -0.002 -16.659 543 HE1 PHE 75 HE1 PHE 75 -0.003 -2.865 -18.110 544 HE2 PHE 75 HE2 PHE 75 -1.484 0.911 -16.696 545 HZ PHE 75 HZ PHE 75 0.411 -0.518 -17.420 546 H LEU 76 H LEU 76 -3.228 -2.617 -14.269 547 HA LEU 76 HA LEU 76 -1.044 -4.469 -14.855 548 1HB LEU 76 2HB LEU 76 -1.698 -2.229 -13.014 549 2HB LEU 76 1HB LEU 76 -0.501 -3.381 -12.430 550 HG LEU 76 HG LEU 76 -0.392 -1.873 -15.056 551 1HD1 LEU 76 1HD1 LEU 76 1.415 -0.650 -14.098 552 2HD1 LEU 76 2HD1 LEU 76 1.536 -1.755 -12.729 553 3HD1 LEU 76 3HD1 LEU 76 0.159 -0.662 -12.860 554 1HD2 LEU 76 1HD2 LEU 76 2.064 -3.018 -14.687 555 2HD2 LEU 76 2HD2 LEU 76 0.792 -3.717 -15.688 556 3HD2 LEU 76 3HD2 LEU 76 1.008 -4.266 -14.027 557 H VAL 77 H VAL 77 -3.877 -4.396 -12.841 558 HA VAL 77 HA VAL 77 -2.985 -6.676 -11.166 559 HB VAL 77 HB VAL 77 -5.405 -4.839 -11.303 560 1HG1 VAL 77 1HG1 VAL 77 -5.633 -6.276 -8.941 561 2HG1 VAL 77 2HG1 VAL 77 -5.156 -7.517 -10.101 562 3HG1 VAL 77 3HG1 VAL 77 -6.600 -6.548 -10.391 563 1HG2 VAL 77 1HG2 VAL 77 -3.358 -3.949 -10.261 564 2HG2 VAL 77 2HG2 VAL 77 -3.276 -5.350 -9.195 565 3HG2 VAL 77 3HG2 VAL 77 -4.607 -4.204 -9.046 566 H TYR 78 H TYR 78 -5.547 -5.898 -13.528 567 HA TYR 78 HA TYR 78 -6.765 -8.468 -13.601 568 1HB TYR 78 2HB TYR 78 -6.688 -5.977 -15.184 569 2HB TYR 78 1HB TYR 78 -7.199 -7.413 -16.075 570 HD1 TYR 78 HD1 TYR 78 -8.592 -4.760 -14.553 571 HD2 TYR 78 HD2 TYR 78 -8.596 -9.038 -14.172 572 HE1 TYR 78 HE1 TYR 78 -10.809 -4.658 -13.449 573 HE2 TYR 78 HE2 TYR 78 -10.813 -8.937 -13.067 574 HH TYR 78 HH TYR 78 -12.737 -6.112 -13.051 575 H CYS 79 H CYS 79 -3.885 -7.244 -15.236 576 HA CYS 79 HA CYS 79 -3.760 -9.498 -17.113 577 1HB CYS 79 2HB CYS 79 -2.763 -6.931 -16.965 578 2HB CYS 79 1HB CYS 79 -1.341 -7.903 -16.590 579 HG CYS 79 HG CYS 79 -2.903 -7.980 -19.277 580 H ALA 80 H ALA 80 -2.905 -8.986 -13.831 581 HA ALA 80 HA ALA 80 -0.626 -10.834 -13.811 582 1HB ALA 80 1HB ALA 80 -2.217 -9.218 -11.846 583 2HB ALA 80 2HB ALA 80 -0.481 -9.193 -12.156 584 3HB ALA 80 3HB ALA 80 -1.194 -10.520 -11.238 585 H LEU 81 H LEU 81 -4.062 -11.006 -13.591 586 HA LEU 81 HA LEU 81 -4.080 -13.640 -12.258 587 1HB LEU 81 2HB LEU 81 -6.314 -12.063 -13.535 588 2HB LEU 81 1HB LEU 81 -6.463 -13.318 -12.301 589 HG LEU 81 HG LEU 81 -4.633 -11.361 -11.345 590 1HD1 LEU 81 1HD1 LEU 81 -7.285 -10.231 -12.278 591 2HD1 LEU 81 2HD1 LEU 81 -5.727 -9.905 -13.042 592 3HD1 LEU 81 3HD1 LEU 81 -6.030 -9.368 -11.386 593 1HD2 LEU 81 1HD2 LEU 81 -6.707 -11.041 -9.759 594 2HD2 LEU 81 2HD2 LEU 81 -5.842 -12.582 -9.776 595 3HD2 LEU 81 3HD2 LEU 81 -7.358 -12.412 -10.659 596 H GLU 82 H GLU 82 -4.870 -12.227 -15.396 597 HA GLU 82 HA GLU 82 -5.756 -14.650 -16.641 598 1HB GLU 82 2HB GLU 82 -6.149 -12.201 -17.261 599 2HB GLU 82 1HB GLU 82 -4.519 -12.211 -17.933 600 1HG GLU 82 2HG GLU 82 -6.071 -12.683 -19.727 601 2HG GLU 82 1HG GLU 82 -5.193 -14.169 -19.359 602 H LYS 83 H LYS 83 -2.748 -12.804 -17.136 603 HA LYS 83 HA LYS 83 -0.981 -15.036 -16.968 604 1HB LYS 83 2HB LYS 83 -2.667 -15.249 -19.117 605 2HB LYS 83 1HB LYS 83 -1.247 -14.502 -19.843 606 1HG LYS 83 2HG LYS 83 -0.350 -16.546 -18.061 607 2HG LYS 83 1HG LYS 83 -1.605 -17.233 -19.092 608 1HD LYS 83 2HD LYS 83 0.142 -17.512 -20.544 609 2HD LYS 83 1HD LYS 83 -0.212 -15.831 -20.942 610 1HE LYS 83 2HE LYS 83 1.419 -15.421 -18.830 611 2HE LYS 83 1HE LYS 83 2.079 -16.963 -19.412 612 1HZ LYS 83 1HZ LYS 83 1.590 -14.529 -21.047 613 2HZ LYS 83 2HZ LYS 83 2.106 -16.026 -21.665 614 3HZ LYS 83 3HZ LYS 83 3.105 -15.150 -20.606 615 H GLU 84 H GLU 84 -0.709 -12.315 -16.240 616 HA GLU 84 HA GLU 84 1.668 -11.597 -17.870 617 1HB GLU 84 2HB GLU 84 -0.653 -10.588 -18.651 618 2HB GLU 84 1HB GLU 84 -0.372 -9.470 -17.315 619 1HG GLU 84 2HG GLU 84 0.551 -8.585 -19.433 620 2HG GLU 84 1HG GLU 84 1.827 -8.887 -18.253 621 HA PRO 85 HA PRO 85 2.663 -10.829 -13.546 622 1HB PRO 85 2HB PRO 85 5.361 -10.591 -13.983 623 2HB PRO 85 1HB PRO 85 4.539 -12.157 -13.825 624 1HG PRO 85 2HG PRO 85 5.380 -10.703 -16.290 625 2HG PRO 85 1HG PRO 85 5.488 -12.431 -15.908 626 1HD PRO 85 2HD PRO 85 3.554 -11.417 -17.501 627 2HD PRO 85 1HD PRO 85 3.283 -12.824 -16.448 628 H VAL 86 H VAL 86 3.725 -8.909 -12.479 629 HA VAL 86 HA VAL 86 3.494 -6.496 -14.235 630 HB VAL 86 HB VAL 86 3.149 -6.949 -11.257 631 1HG1 VAL 86 1HG1 VAL 86 4.101 -4.740 -11.623 632 2HG1 VAL 86 2HG1 VAL 86 2.386 -4.561 -11.251 633 3HG1 VAL 86 3HG1 VAL 86 2.947 -4.419 -12.917 634 1HG2 VAL 86 1HG2 VAL 86 0.876 -5.790 -12.506 635 2HG2 VAL 86 2HG2 VAL 86 1.020 -7.413 -11.829 636 3HG2 VAL 86 3HG2 VAL 86 1.389 -7.132 -13.531 637 HA PRO 87 HA PRO 87 7.851 -6.151 -13.275 638 1HB PRO 87 2HB PRO 87 8.393 -4.273 -15.188 639 2HB PRO 87 1HB PRO 87 8.226 -5.999 -15.563 640 1HG PRO 87 2HG PRO 87 6.362 -3.774 -16.072 641 2HG PRO 87 1HG PRO 87 6.564 -5.303 -16.936 642 1HD PRO 87 2HD PRO 87 4.543 -4.675 -15.080 643 2HD PRO 87 1HD PRO 87 4.914 -6.280 -15.744 644 H MET 88 H MET 88 9.232 -4.020 -12.823 645 HA MET 88 HA MET 88 7.489 -2.196 -11.226 646 1HB MET 88 2HB MET 88 10.499 -2.259 -11.341 647 2HB MET 88 1HB MET 88 9.475 -1.684 -10.032 648 1HG MET 88 2HG MET 88 9.115 -3.795 -9.200 649 2HG MET 88 1HG MET 88 9.148 -4.545 -10.794 650 1HE MET 88 1HE MET 88 11.147 -6.458 -10.924 651 2HE MET 88 2HE MET 88 12.483 -5.537 -11.608 652 3HE MET 88 3HE MET 88 10.828 -5.151 -12.072 653 H SER 89 H SER 89 8.355 -2.192 -14.327 654 HA SER 89 HA SER 89 9.499 0.537 -14.344 655 1HB SER 89 2HB SER 89 9.034 -1.457 -16.573 656 2HB SER 89 1HB SER 89 10.025 -0.003 -16.663 657 HG SER 89 HG SER 89 11.313 -1.816 -16.243 658 H LEU 90 H LEU 90 8.053 2.134 -14.375 659 HA LEU 90 HA LEU 90 5.461 1.733 -15.790 660 1HB LEU 90 2HB LEU 90 4.923 2.635 -13.740 661 2HB LEU 90 1HB LEU 90 6.538 3.291 -13.504 662 HG LEU 90 HG LEU 90 6.055 5.209 -14.817 663 1HD1 LEU 90 1HD1 LEU 90 4.592 5.182 -16.546 664 2HD1 LEU 90 2HD1 LEU 90 3.263 4.742 -15.471 665 3HD1 LEU 90 3HD1 LEU 90 4.280 3.486 -16.176 666 1HD2 LEU 90 1HD2 LEU 90 3.964 4.391 -12.843 667 2HD2 LEU 90 2HD2 LEU 90 3.713 5.878 -13.755 668 3HD2 LEU 90 3HD2 LEU 90 5.145 5.696 -12.743 669 HA PRO 91 HA PRO 91 8.134 3.867 -18.870 670 1HB PRO 91 2HB PRO 91 6.650 3.001 -21.017 671 2HB PRO 91 1HB PRO 91 7.954 2.048 -20.276 672 1HG PRO 91 2HG PRO 91 5.003 1.880 -19.816 673 2HG PRO 91 1HG PRO 91 6.174 0.573 -20.072 674 1HD PRO 91 2HD PRO 91 5.325 1.169 -17.615 675 2HD PRO 91 1HD PRO 91 7.026 0.734 -17.915 676 HA PRO 92 HA PRO 92 5.666 7.373 -19.697 677 1HB PRO 92 2HB PRO 92 6.255 8.002 -22.296 678 2HB PRO 92 1HB PRO 92 7.402 8.231 -20.961 679 1HG PRO 92 2HG PRO 92 7.261 6.055 -22.985 680 2HG PRO 92 1HG PRO 92 8.677 6.858 -22.287 681 1HD PRO 92 2HD PRO 92 7.804 4.392 -21.507 682 2HD PRO 92 1HD PRO 92 8.702 5.499 -20.445 683 H ALA 93 H ALA 93 5.145 4.546 -21.600 684 HA ALA 93 HA ALA 93 2.897 5.542 -23.155 685 1HB ALA 93 1HB ALA 93 3.087 2.662 -22.513 686 2HB ALA 93 2HB ALA 93 4.565 3.354 -23.183 687 3HB ALA 93 3HB ALA 93 3.053 3.457 -24.086 688 H LEU 94 H LEU 94 3.375 4.770 -19.885 689 HA LEU 94 HA LEU 94 0.549 3.981 -19.444 690 1HB LEU 94 2HB LEU 94 3.152 3.847 -17.969 691 2HB LEU 94 1HB LEU 94 1.658 3.814 -17.032 692 HG LEU 94 HG LEU 94 2.575 1.540 -17.752 693 1HD1 LEU 94 1HD1 LEU 94 -0.179 2.602 -18.149 694 2HD1 LEU 94 2HD1 LEU 94 0.391 1.331 -17.066 695 3HD1 LEU 94 3HD1 LEU 94 0.149 0.987 -18.780 696 1HD2 LEU 94 1HD2 LEU 94 2.135 0.880 -20.075 697 2HD2 LEU 94 2HD2 LEU 94 3.216 2.274 -20.047 698 3HD2 LEU 94 3HD2 LEU 94 1.511 2.491 -20.431 699 H VAL 95 H VAL 95 2.732 6.669 -19.085 700 HA VAL 95 HA VAL 95 1.338 8.100 -17.010 701 HB VAL 95 HB VAL 95 3.119 9.015 -19.290 702 1HG1 VAL 95 1HG1 VAL 95 2.685 11.094 -18.537 703 2HG1 VAL 95 2HG1 VAL 95 3.450 10.638 -17.015 704 3HG1 VAL 95 3HG1 VAL 95 1.706 10.460 -17.213 705 1HG2 VAL 95 1HG2 VAL 95 4.723 7.899 -18.161 706 2HG2 VAL 95 2HG2 VAL 95 3.600 7.504 -16.859 707 3HG2 VAL 95 3HG2 VAL 95 4.483 9.030 -16.829 708 HA PRO 96 HA PRO 96 -2.132 9.274 -19.545 709 1HB PRO 96 2HB PRO 96 -3.347 10.855 -17.670 710 2HB PRO 96 1HB PRO 96 -3.419 9.082 -17.629 711 1HG PRO 96 2HG PRO 96 -1.698 10.943 -16.067 712 2HG PRO 96 1HG PRO 96 -2.503 9.451 -15.555 713 1HD PRO 96 2HD PRO 96 0.151 9.592 -16.159 714 2HD PRO 96 1HD PRO 96 -0.820 8.116 -16.348 715 HA PRO 97 HA PRO 97 -1.093 13.287 -20.997 716 1HB PRO 97 2HB PRO 97 -3.531 14.397 -21.564 717 2HB PRO 97 1HB PRO 97 -2.811 13.100 -22.539 718 1HG PRO 97 2HG PRO 97 -4.932 12.947 -20.460 719 2HG PRO 97 1HG PRO 97 -4.775 12.057 -21.982 720 1HD PRO 97 2HD PRO 97 -4.157 11.006 -19.534 721 2HD PRO 97 1HD PRO 97 -3.422 10.463 -21.058 722 H SER 98 H SER 98 -3.261 13.028 -18.276 723 HA SER 98 HA SER 98 -3.261 15.862 -17.600 724 1HB SER 98 2HB SER 98 -4.867 15.105 -16.189 725 2HB SER 98 1HB SER 98 -4.594 13.499 -16.855 726 HG SER 98 HG SER 98 -2.968 13.221 -15.261 727 H LYS 99 H LYS 99 -0.981 13.344 -17.342 728 HA LYS 99 HA LYS 99 0.396 14.479 -14.981 729 1HB LYS 99 2HB LYS 99 0.412 12.106 -15.130 730 2HB LYS 99 1HB LYS 99 0.777 12.136 -16.855 731 1HG LYS 99 2HG LYS 99 2.772 11.530 -15.516 732 2HG LYS 99 1HG LYS 99 3.011 13.046 -16.384 733 1HD LYS 99 2HD LYS 99 2.478 14.324 -14.366 734 2HD LYS 99 1HD LYS 99 2.139 12.832 -13.487 735 1HE LYS 99 2HE LYS 99 4.364 12.335 -13.215 736 2HE LYS 99 1HE LYS 99 4.802 12.980 -14.808 737 1HZ LYS 99 1HZ LYS 99 5.081 14.272 -12.391 738 2HZ LYS 99 2HZ LYS 99 3.740 15.016 -13.123 739 3HZ LYS 99 3HZ LYS 99 5.234 14.965 -13.931 740 H ARG 100 H ARG 100 0.191 15.149 -18.272 741 HA ARG 100 HA ARG 100 3.036 15.902 -18.638 742 1HB ARG 100 2HB ARG 100 0.536 16.143 -20.350 743 2HB ARG 100 1HB ARG 100 2.164 16.538 -20.902 744 1HG ARG 100 2HG ARG 100 2.840 14.176 -20.285 745 2HG ARG 100 1HG ARG 100 1.130 13.831 -20.025 746 1HD ARG 100 2HD ARG 100 0.597 14.260 -22.327 747 2HD ARG 100 1HD ARG 100 2.199 14.960 -22.632 748 HE ARG 100 HE ARG 100 2.341 12.244 -21.583 749 1HH1 ARG 100 1HH2 ARG 100 3.745 14.030 -23.871 750 2HH1 ARG 100 2HH2 ARG 100 3.556 12.924 -25.190 751 1HH2 ARG 100 2HH1 ARG 100 1.316 10.882 -23.509 752 2HH2 ARG 100 1HH1 ARG 100 2.183 11.143 -24.985 753 H SER 107 1H SER 107 4.512 5.791 4.639 754 HA SER 107 HA SER 107 2.111 6.783 3.297 755 1HB SER 107 2HB SER 107 3.456 8.584 4.727 756 2HB SER 107 1HB SER 107 4.564 8.501 3.363 757 HG SER 107 HG SER 107 2.876 10.078 3.125 758 H THR 108 H THR 108 3.030 4.536 2.457 759 HA THR 108 HA THR 108 4.560 5.121 0.018 760 HB THR 108 HB THR 108 5.784 2.959 1.632 761 HG1 THR 108 HG1 THR 108 6.678 4.277 3.105 762 1HG2 THR 108 1HG2 THR 108 6.837 3.547 -0.418 763 2HG2 THR 108 2HG2 THR 108 7.848 4.252 0.842 764 3HG2 THR 108 3HG2 THR 108 6.731 5.272 -0.065 765 H ASN 109 H ASN 109 5.124 2.660 -0.908 766 HA ASN 109 HA ASN 109 2.774 1.506 -1.800 767 1HB ASN 109 2HB ASN 109 5.161 1.025 -2.452 768 2HB ASN 109 1HB ASN 109 5.285 -0.009 -1.025 769 1HD2 ASN 109 1HD2 ASN 109 3.187 0.447 -3.914 770 2HD2 ASN 109 2HD2 ASN 109 2.865 -1.200 -4.133 771 HA PRO 110 HA PRO 110 1.210 0.148 2.207 772 1HB PRO 110 2HB PRO 110 -1.328 -0.334 1.289 773 2HB PRO 110 1HB PRO 110 -0.739 1.285 1.720 774 1HG PRO 110 2HG PRO 110 -1.007 0.023 -0.965 775 2HG PRO 110 1HG PRO 110 -1.355 1.683 -0.457 776 1HD PRO 110 2HD PRO 110 0.907 0.994 -1.784 777 2HD PRO 110 1HD PRO 110 0.837 2.339 -0.625 778 H PHE 111 H PHE 111 2.012 -1.607 -0.507 779 HA PHE 111 HA PHE 111 0.758 -4.132 0.484 780 1HB PHE 111 2HB PHE 111 2.348 -3.798 -2.059 781 2HB PHE 111 1HB PHE 111 1.073 -4.963 -1.712 782 HD1 PHE 111 HD1 PHE 111 1.742 -1.341 -2.275 783 HD2 PHE 111 HD2 PHE 111 -1.230 -4.454 -2.198 784 HE1 PHE 111 HE1 PHE 111 0.080 0.217 -3.231 785 HE2 PHE 111 HE2 PHE 111 -2.879 -2.882 -3.147 786 HZ PHE 111 HZ PHE 111 -2.228 -0.547 -3.664 787 H ARG 112 HN ARG 112 3.903 -2.971 -0.759 788 HA ARG 112 HA ARG 112 5.473 -5.173 0.079 789 1HB ARG 112 2HB ARG 112 5.928 -2.247 -0.450 790 2HB ARG 112 1HB ARG 112 7.262 -3.239 0.142 791 1HG ARG 112 2HG ARG 112 5.929 -4.683 -1.937 792 2HG ARG 112 1HG ARG 112 6.264 -3.053 -2.524 793 1HD ARG 112 2HD ARG 112 8.327 -4.861 -1.210 794 2HD ARG 112 1HD ARG 112 8.182 -4.588 -2.957 795 HE ARG 112 HE ARG 112 8.264 -2.064 -1.594 796 1HH1 ARG 112 1HH2 ARG 112 10.453 -4.403 -0.897 797 2HH1 ARG 112 2HH2 ARG 112 11.813 -3.657 -1.667 798 1HH2 ARG 112 1HH1 ARG 112 9.921 -1.250 -3.288 799 2HH2 ARG 112 2HH1 ARG 112 11.513 -1.876 -3.019 Start of MODEL 12 1 HA PRO 6 HA PRO 6 -1.757 7.156 -26.387 2 1HB PRO 6 2HB PRO 6 -3.259 4.884 -26.651 3 2HB PRO 6 1HB PRO 6 -3.046 6.058 -27.964 4 1HG PRO 6 2HG PRO 6 -1.696 3.442 -27.528 5 2HG PRO 6 1HG PRO 6 -2.251 4.189 -29.034 6 1HD PRO 6 2HD PRO 6 0.358 4.173 -28.225 7 2HD PRO 6 1HD PRO 6 -0.340 5.424 -29.278 8 H TRP 7 H TRP 7 -3.228 5.958 -24.596 9 HA TRP 7 HA TRP 7 -1.355 5.039 -22.508 10 1HB TRP 7 2HB TRP 7 -3.103 6.788 -22.169 11 2HB TRP 7 1HB TRP 7 -4.342 5.579 -22.498 12 HD1 TRP 7 HD1 TRP 7 -1.482 4.143 -20.658 13 HE1 TRP 7 HE1 TRP 7 -2.080 3.816 -18.171 14 HE3 TRP 7 HE3 TRP 7 -5.805 6.839 -20.446 15 HZ2 TRP 7 HZ2 TRP 7 -4.133 4.607 -16.331 16 HZ3 TRP 7 HZ3 TRP 7 -7.062 7.041 -18.319 17 HH2 TRP 7 HH2 TRP 7 -6.232 5.929 -16.265 18 H ALA 8 H ALA 8 -1.123 2.892 -21.995 19 HA ALA 8 HA ALA 8 -2.119 0.746 -23.450 20 1HB ALA 8 1HB ALA 8 -1.794 0.431 -20.511 21 2HB ALA 8 2HB ALA 8 -0.424 1.074 -21.420 22 3HB ALA 8 3HB ALA 8 -1.082 -0.509 -21.824 23 H VAL 9 H VAL 9 -3.726 2.548 -20.909 24 HA VAL 9 HA VAL 9 -5.861 0.542 -20.583 25 HB VAL 9 HB VAL 9 -5.417 3.348 -19.517 26 1HG1 VAL 9 1HG1 VAL 9 -7.833 2.562 -19.612 27 2HG1 VAL 9 2HG1 VAL 9 -7.232 2.935 -17.997 28 3HG1 VAL 9 3HG1 VAL 9 -7.369 1.256 -18.522 29 1HG2 VAL 9 1HG2 VAL 9 -4.848 2.116 -17.427 30 2HG2 VAL 9 2HG2 VAL 9 -3.751 1.716 -18.749 31 3HG2 VAL 9 3HG2 VAL 9 -5.033 0.593 -18.298 32 H LYS 10 H LYS 10 -7.990 0.798 -21.296 33 HA LYS 10 HA LYS 10 -8.391 2.716 -23.542 34 1HB LYS 10 2HB LYS 10 -9.635 0.144 -22.563 35 2HB LYS 10 1HB LYS 10 -10.451 1.131 -23.772 36 1HG LYS 10 2HG LYS 10 -8.757 0.814 -25.362 37 2HG LYS 10 1HG LYS 10 -7.561 0.382 -24.139 38 1HD LYS 10 2HD LYS 10 -9.315 -1.598 -23.695 39 2HD LYS 10 1HD LYS 10 -9.679 -1.299 -25.395 40 1HE LYS 10 2HE LYS 10 -6.962 -1.292 -25.497 41 2HE LYS 10 1HE LYS 10 -7.230 -2.445 -24.174 42 1HZ LYS 10 1HZ LYS 10 -8.883 -3.569 -25.566 43 2HZ LYS 10 2HZ LYS 10 -7.347 -3.587 -26.291 44 3HZ LYS 10 3HZ LYS 10 -8.537 -2.508 -26.844 45 HA PRO 11 HA PRO 11 -11.338 5.160 -21.364 46 1HB PRO 11 2HB PRO 11 -13.496 5.261 -23.059 47 2HB PRO 11 1HB PRO 11 -11.992 6.163 -23.347 48 1HG PRO 11 2HG PRO 11 -12.889 3.562 -24.508 49 2HG PRO 11 1HG PRO 11 -12.103 4.939 -25.303 50 1HD PRO 11 2HD PRO 11 -10.733 2.732 -24.610 51 2HD PRO 11 1HD PRO 11 -10.001 4.350 -24.540 52 H GLU 12 H GLU 12 -12.588 2.146 -22.738 53 HA GLU 12 HA GLU 12 -14.890 1.927 -20.988 54 1HB GLU 12 2HB GLU 12 -14.941 -0.358 -21.903 55 2HB GLU 12 1HB GLU 12 -14.591 0.795 -23.190 56 1HG GLU 12 2HG GLU 12 -12.855 -0.614 -23.641 57 2HG GLU 12 1HG GLU 12 -12.072 0.245 -22.314 58 H ASP 13 H ASP 13 -11.487 1.133 -20.716 59 HA ASP 13 HA ASP 13 -11.804 -0.640 -18.410 60 1HB ASP 13 2HB ASP 13 -9.714 0.385 -20.201 61 2HB ASP 13 1HB ASP 13 -9.176 0.265 -18.524 62 H LYS 14 H LYS 14 -10.854 2.715 -19.033 63 HA LYS 14 HA LYS 14 -10.304 3.425 -16.307 64 1HB LYS 14 2HB LYS 14 -9.513 4.731 -18.195 65 2HB LYS 14 1HB LYS 14 -11.164 4.985 -18.758 66 1HG LYS 14 2HG LYS 14 -10.736 6.991 -17.640 67 2HG LYS 14 1HG LYS 14 -11.520 6.040 -16.380 68 1HD LYS 14 2HD LYS 14 -9.693 6.353 -15.102 69 2HD LYS 14 1HD LYS 14 -8.793 5.353 -16.244 70 1HE LYS 14 2HE LYS 14 -7.529 7.266 -16.471 71 2HE LYS 14 1HE LYS 14 -8.827 7.731 -17.589 72 1HZ LYS 14 1HZ LYS 14 -8.804 9.476 -16.082 73 2HZ LYS 14 2HZ LYS 14 -8.478 8.470 -14.754 74 3HZ LYS 14 3HZ LYS 14 -10.025 8.477 -15.456 75 H ALA 15 H ALA 15 -13.184 2.790 -18.043 76 HA ALA 15 HA ALA 15 -15.005 4.449 -16.476 77 1HB ALA 15 1HB ALA 15 -15.056 2.437 -18.647 78 2HB ALA 15 2HB ALA 15 -16.011 3.908 -18.465 79 3HB ALA 15 3HB ALA 15 -16.488 2.435 -17.619 80 H LYS 16 H LYS 16 -13.854 1.107 -16.452 81 HA LYS 16 HA LYS 16 -15.518 0.342 -14.147 82 1HB LYS 16 2HB LYS 16 -13.096 -1.171 -15.093 83 2HB LYS 16 1HB LYS 16 -14.667 -1.799 -14.593 84 1HG LYS 16 2HG LYS 16 -15.543 -0.540 -16.712 85 2HG LYS 16 1HG LYS 16 -13.859 -0.598 -17.222 86 1HD LYS 16 2HD LYS 16 -14.768 -3.170 -16.178 87 2HD LYS 16 1HD LYS 16 -15.741 -2.637 -17.549 88 1HE LYS 16 2HE LYS 16 -13.309 -2.049 -18.540 89 2HE LYS 16 1HE LYS 16 -12.854 -3.384 -17.461 90 1HZ LYS 16 1HZ LYS 16 -15.091 -3.460 -19.419 91 2HZ LYS 16 2HZ LYS 16 -14.595 -4.734 -18.412 92 3HZ LYS 16 3HZ LYS 16 -13.575 -4.184 -19.654 93 H TYR 17 H TYR 17 -12.181 1.170 -14.919 94 HA TYR 17 HA TYR 17 -11.053 0.834 -12.302 95 1HB TYR 17 2HB TYR 17 -10.384 2.745 -14.574 96 2HB TYR 17 1HB TYR 17 -9.305 2.335 -13.246 97 HD1 TYR 17 HD1 TYR 17 -11.155 -0.570 -13.957 98 HD2 TYR 17 HD2 TYR 17 -7.955 1.837 -15.515 99 HE1 TYR 17 HE1 TYR 17 -10.311 -2.515 -15.233 100 HE2 TYR 17 HE2 TYR 17 -7.098 -0.114 -16.781 101 HH TYR 17 HH TYR 17 -8.712 -2.633 -17.581 102 H ASP 18 H ASP 18 -13.088 3.194 -13.835 103 HA ASP 18 HA ASP 18 -12.614 5.280 -11.790 104 1HB ASP 18 2HB ASP 18 -13.052 6.058 -13.990 105 2HB ASP 18 1HB ASP 18 -14.372 4.912 -14.223 106 H ALA 19 H ALA 19 -14.824 2.629 -12.385 107 HA ALA 19 HA ALA 19 -16.858 3.573 -10.487 108 1HB ALA 19 1HB ALA 19 -18.018 1.986 -11.617 109 2HB ALA 19 2HB ALA 19 -16.922 0.742 -11.018 110 3HB ALA 19 3HB ALA 19 -16.555 1.592 -12.519 111 H ILE 20 H ILE 20 -14.031 1.488 -10.537 112 HA ILE 20 HA ILE 20 -14.434 0.423 -7.851 113 HB ILE 20 HB ILE 20 -12.180 0.491 -9.881 114 1HG1 ILE 20 2HG1 ILE 20 -13.754 -1.892 -8.895 115 2HG1 ILE 20 1HG1 ILE 20 -14.327 -0.896 -10.234 116 1HG2 ILE 20 1HG2 ILE 20 -12.286 -1.098 -7.310 117 2HG2 ILE 20 2HG2 ILE 20 -11.355 0.383 -7.517 118 3HG2 ILE 20 3HG2 ILE 20 -10.962 -1.045 -8.474 119 1HD1 ILE 20 1HD1 ILE 20 -11.637 -2.294 -10.109 120 2HD1 ILE 20 2HD1 ILE 20 -12.217 -1.301 -11.448 121 3HD1 ILE 20 3HD1 ILE 20 -13.023 -2.822 -11.064 122 H PHE 21 H PHE 21 -12.659 3.008 -9.452 123 HA PHE 21 HA PHE 21 -11.123 3.853 -7.166 124 1HB PHE 21 2HB PHE 21 -10.229 4.627 -9.150 125 2HB PHE 21 1HB PHE 21 -11.811 4.777 -9.909 126 HD1 PHE 21 HD1 PHE 21 -9.207 6.478 -8.017 127 HD2 PHE 21 HD2 PHE 21 -13.275 6.734 -9.371 128 HE1 PHE 21 HE1 PHE 21 -9.209 8.911 -7.547 129 HE2 PHE 21 HE2 PHE 21 -13.279 9.168 -8.902 130 HZ PHE 21 HZ PHE 21 -11.249 10.257 -7.987 131 H ASP 22 H ASP 22 -14.230 4.778 -8.572 132 HA ASP 22 HA ASP 22 -14.734 6.813 -6.502 133 1HB ASP 22 2HB ASP 22 -15.465 7.312 -8.719 134 2HB ASP 22 1HB ASP 22 -16.209 5.721 -8.908 135 H SER 23 H SER 23 -14.871 3.509 -6.532 136 HA SER 23 HA SER 23 -17.449 3.208 -5.106 137 1HB SER 23 2HB SER 23 -16.912 1.441 -6.600 138 2HB SER 23 1HB SER 23 -15.227 1.410 -6.088 139 HG SER 23 HG SER 23 -17.512 0.368 -4.854 140 H LEU 24 H LEU 24 -14.287 4.081 -4.389 141 HA LEU 24 HA LEU 24 -14.372 3.003 -1.600 142 1HB LEU 24 2HB LEU 24 -12.046 4.428 -2.862 143 2HB LEU 24 1HB LEU 24 -12.033 3.112 -1.691 144 HG LEU 24 HG LEU 24 -12.968 2.785 -4.550 145 1HD1 LEU 24 1HD1 LEU 24 -10.339 3.242 -3.659 146 2HD1 LEU 24 2HD1 LEU 24 -10.825 2.599 -5.230 147 3HD1 LEU 24 3HD1 LEU 24 -10.450 1.500 -3.902 148 1HD2 LEU 24 1HD2 LEU 24 -13.349 1.190 -2.346 149 2HD2 LEU 24 2HD2 LEU 24 -11.851 0.536 -3.006 150 3HD2 LEU 24 3HD2 LEU 24 -13.302 0.597 -4.006 151 H SER 25 H SER 25 -14.816 5.790 -3.494 152 HA SER 25 HA SER 25 -15.589 7.943 -2.760 153 1HB SER 25 2HB SER 25 -14.374 7.399 -0.059 154 2HB SER 25 1HB SER 25 -15.766 8.401 -0.460 155 HG SER 25 HG SER 25 -16.876 6.466 -1.000 156 HA PRO 26 HA PRO 26 -11.260 8.995 -3.635 157 1HB PRO 26 2HB PRO 26 -11.869 10.748 -5.639 158 2HB PRO 26 1HB PRO 26 -11.746 8.996 -5.893 159 1HG PRO 26 2HG PRO 26 -14.159 10.699 -5.582 160 2HG PRO 26 1HG PRO 26 -13.895 9.293 -6.624 161 1HD PRO 26 2HD PRO 26 -15.289 9.214 -4.267 162 2HD PRO 26 1HD PRO 26 -14.464 7.813 -4.982 163 H VAL 27 H VAL 27 -10.122 10.903 -3.140 164 HA VAL 27 HA VAL 27 -11.745 13.079 -1.868 165 HB VAL 27 HB VAL 27 -8.947 12.066 -1.264 166 1HG1 VAL 27 1HG1 VAL 27 -9.365 14.472 -0.731 167 2HG1 VAL 27 2HG1 VAL 27 -9.092 13.493 0.711 168 3HG1 VAL 27 3HG1 VAL 27 -10.730 13.980 0.273 169 1HG2 VAL 27 1HG2 VAL 27 -11.056 11.774 0.763 170 2HG2 VAL 27 2HG2 VAL 27 -9.862 10.600 0.209 171 3HG2 VAL 27 3HG2 VAL 27 -11.358 10.832 -0.698 172 H ASN 28 H ASN 28 -11.691 14.862 -3.202 173 HA ASN 28 HA ASN 28 -10.841 16.483 -4.700 174 1HB ASN 28 2HB ASN 28 -9.278 16.912 -2.905 175 2HB ASN 28 1HB ASN 28 -8.343 15.472 -3.301 176 1HD2 ASN 28 1HD2 ASN 28 -6.461 15.979 -4.414 177 2HD2 ASN 28 2HD2 ASN 28 -6.285 17.269 -5.503 178 H GLY 29 H GLY 29 -10.884 13.406 -5.275 179 1HA GLY 29 2HA GLY 29 -10.698 12.372 -7.430 180 2HA GLY 29 1HA GLY 29 -9.558 13.632 -7.909 181 H PHE 30 H PHE 30 -9.387 11.690 -4.939 182 HA PHE 30 HA PHE 30 -7.097 10.165 -6.055 183 1HB PHE 30 2HB PHE 30 -7.000 12.134 -3.766 184 2HB PHE 30 1HB PHE 30 -5.708 10.972 -4.108 185 HD1 PHE 30 HD1 PHE 30 -7.006 14.194 -4.874 186 HD2 PHE 30 HD2 PHE 30 -4.857 10.885 -6.557 187 HE1 PHE 30 HE1 PHE 30 -6.151 15.668 -6.664 188 HE2 PHE 30 HE2 PHE 30 -3.989 12.364 -8.355 189 HZ PHE 30 HZ PHE 30 -4.637 14.760 -8.408 190 H LEU 31 H LEU 31 -6.866 8.187 -5.160 191 HA LEU 31 HA LEU 31 -8.635 7.462 -2.847 192 1HB LEU 31 2HB LEU 31 -7.342 5.959 -5.132 193 2HB LEU 31 1HB LEU 31 -7.956 5.104 -3.718 194 HG LEU 31 HG LEU 31 -9.511 6.786 -5.683 195 1HD1 LEU 31 1HD1 LEU 31 -10.833 4.465 -5.347 196 2HD1 LEU 31 2HD1 LEU 31 -9.202 3.924 -4.933 197 3HD1 LEU 31 3HD1 LEU 31 -9.523 4.641 -6.515 198 1HD2 LEU 31 1HD2 LEU 31 -10.300 5.732 -2.950 199 2HD2 LEU 31 2HD2 LEU 31 -11.474 6.221 -4.174 200 3HD2 LEU 31 3HD2 LEU 31 -10.354 7.406 -3.502 201 H SER 32 H SER 32 -7.637 6.503 -1.014 202 HA SER 32 HA SER 32 -4.692 6.879 -0.885 203 1HB SER 32 2HB SER 32 -5.049 6.896 1.485 204 2HB SER 32 1HB SER 32 -6.398 7.792 0.795 205 HG SER 32 HG SER 32 -7.371 6.363 2.097 206 H GLY 33 H GLY 33 -3.286 5.203 -0.419 207 1HA GLY 33 2HA GLY 33 -3.640 2.668 -1.441 208 2HA GLY 33 1HA GLY 33 -2.593 2.959 -0.049 209 H ASP 34 H ASP 34 -4.928 3.913 1.565 210 HA ASP 34 HA ASP 34 -5.636 1.450 2.834 211 1HB ASP 34 2HB ASP 34 -6.891 4.214 2.877 212 2HB ASP 34 1HB ASP 34 -7.216 2.947 4.060 213 H LYS 35 H LYS 35 -7.097 3.244 0.178 214 HA LYS 35 HA LYS 35 -9.549 1.570 0.282 215 1HB LYS 35 2HB LYS 35 -8.624 3.972 -1.328 216 2HB LYS 35 1HB LYS 35 -10.177 3.178 -1.587 217 1HG LYS 35 2HG LYS 35 -10.552 3.520 0.951 218 2HG LYS 35 1HG LYS 35 -9.220 4.674 0.853 219 1HD LYS 35 2HD LYS 35 -10.525 5.723 -1.114 220 2HD LYS 35 1HD LYS 35 -11.897 4.783 -0.531 221 1HE LYS 35 2HE LYS 35 -10.306 6.774 1.129 222 2HE LYS 35 1HE LYS 35 -11.930 7.044 0.466 223 1HZ LYS 35 1HZ LYS 35 -12.590 4.936 1.614 224 2HZ LYS 35 2HZ LYS 35 -12.221 6.225 2.658 225 3HZ LYS 35 3HZ LYS 35 -11.098 4.972 2.422 226 H VAL 36 H VAL 36 -6.623 2.177 -1.578 227 HA VAL 36 HA VAL 36 -7.378 0.442 -3.813 228 HB VAL 36 HB VAL 36 -4.768 1.654 -2.881 229 1HG1 VAL 36 1HG1 VAL 36 -3.743 0.579 -4.567 230 2HG1 VAL 36 2HG1 VAL 36 -4.989 1.082 -5.711 231 3HG1 VAL 36 3HG1 VAL 36 -5.206 -0.384 -4.754 232 1HG2 VAL 36 1HG2 VAL 36 -6.762 3.153 -3.551 233 2HG2 VAL 36 2HG2 VAL 36 -6.509 2.536 -5.184 234 3HG2 VAL 36 3HG2 VAL 36 -5.229 3.439 -4.374 235 H LYS 37 H LYS 37 -5.184 0.167 -0.994 236 HA LYS 37 HA LYS 37 -3.925 -2.231 -1.470 237 1HB LYS 37 2HB LYS 37 -3.820 -0.723 0.569 238 2HB LYS 37 1HB LYS 37 -5.262 -1.543 1.159 239 1HG LYS 37 2HG LYS 37 -4.161 -3.590 1.418 240 2HG LYS 37 1HG LYS 37 -2.885 -3.156 0.280 241 1HD LYS 37 2HD LYS 37 -1.781 -1.800 1.839 242 2HD LYS 37 1HD LYS 37 -3.221 -1.607 2.839 243 1HE LYS 37 2HE LYS 37 -2.835 -4.352 2.868 244 2HE LYS 37 1HE LYS 37 -1.179 -3.717 2.915 245 1HZ LYS 37 1HZ LYS 37 -1.624 -3.383 5.079 246 2HZ LYS 37 2HZ LYS 37 -3.308 -3.454 4.862 247 3HZ LYS 37 3HZ LYS 37 -2.467 -2.015 4.538 248 HA PRO 38 HA PRO 38 -7.750 -4.759 0.018 249 1HB PRO 38 2HB PRO 38 -10.167 -3.465 -0.085 250 2HB PRO 38 1HB PRO 38 -9.169 -3.537 1.383 251 1HG PRO 38 2HG PRO 38 -9.423 -1.350 -0.631 252 2HG PRO 38 1HG PRO 38 -9.355 -1.250 1.137 253 1HD PRO 38 2HD PRO 38 -7.218 -0.712 -0.391 254 2HD PRO 38 1HD PRO 38 -7.065 -1.489 1.200 255 H VAL 39 H VAL 39 -8.146 -2.226 -2.385 256 HA VAL 39 HA VAL 39 -9.842 -3.666 -4.217 257 HB VAL 39 HB VAL 39 -8.017 -1.276 -4.205 258 1HG1 VAL 39 1HG1 VAL 39 -9.528 -1.881 -6.713 259 2HG1 VAL 39 2HG1 VAL 39 -7.965 -2.660 -6.483 260 3HG1 VAL 39 3HG1 VAL 39 -8.080 -0.907 -6.480 261 1HG2 VAL 39 1HG2 VAL 39 -10.834 -1.855 -3.959 262 2HG2 VAL 39 2HG2 VAL 39 -10.565 -0.737 -5.296 263 3HG2 VAL 39 3HG2 VAL 39 -9.988 -0.332 -3.678 264 H LEU 40 H LEU 40 -6.378 -3.533 -3.619 265 HA LEU 40 HA LEU 40 -5.748 -5.073 -6.062 266 1HB LEU 40 2HB LEU 40 -4.071 -4.014 -3.768 267 2HB LEU 40 1HB LEU 40 -3.453 -4.608 -5.312 268 HG LEU 40 HG LEU 40 -5.453 -2.354 -5.101 269 1HD1 LEU 40 1HD1 LEU 40 -2.460 -2.358 -4.999 270 2HD1 LEU 40 2HD1 LEU 40 -3.618 -1.357 -4.122 271 3HD1 LEU 40 3HD1 LEU 40 -3.292 -1.039 -5.824 272 1HD2 LEU 40 1HD2 LEU 40 -5.322 -3.638 -7.218 273 2HD2 LEU 40 2HD2 LEU 40 -3.601 -3.253 -7.317 274 3HD2 LEU 40 3HD2 LEU 40 -4.801 -1.963 -7.416 275 H LEU 41 H LEU 41 -5.940 -5.544 -2.559 276 HA LEU 41 HA LEU 41 -4.640 -8.123 -2.527 277 1HB LEU 41 2HB LEU 41 -6.646 -6.763 -0.698 278 2HB LEU 41 1HB LEU 41 -5.762 -8.230 -0.283 279 HG LEU 41 HG LEU 41 -4.274 -5.777 -1.173 280 1HD1 LEU 41 1HD1 LEU 41 -5.626 -6.317 1.449 281 2HD1 LEU 41 2HD1 LEU 41 -5.434 -4.790 0.588 282 3HD1 LEU 41 3HD1 LEU 41 -4.065 -5.495 1.450 283 1HD2 LEU 41 1HD2 LEU 41 -2.527 -7.126 -0.710 284 2HD2 LEU 41 2HD2 LEU 41 -3.651 -8.421 -0.291 285 3HD2 LEU 41 3HD2 LEU 41 -3.095 -7.298 0.953 286 H ASN 42 H ASN 42 -7.687 -6.991 -3.605 287 HA ASN 42 HA ASN 42 -9.069 -9.545 -3.152 288 1HB ASN 42 2HB ASN 42 -9.698 -6.769 -3.982 289 2HB ASN 42 1HB ASN 42 -10.745 -8.020 -4.654 290 1HD2 ASN 42 1HD2 ASN 42 -12.027 -6.361 -2.908 291 2HD2 ASN 42 2HD2 ASN 42 -12.255 -7.102 -1.398 292 H SER 43 H SER 43 -6.923 -8.389 -5.442 293 HA SER 43 HA SER 43 -8.201 -9.527 -7.835 294 1HB SER 43 2HB SER 43 -5.316 -8.884 -7.822 295 2HB SER 43 1HB SER 43 -6.587 -8.307 -8.897 296 HG SER 43 HG SER 43 -7.142 -6.781 -7.420 297 H LYS 44 H LYS 44 -7.234 -11.147 -5.299 298 HA LYS 44 HA LYS 44 -6.385 -13.331 -4.973 299 1HB LYS 44 2HB LYS 44 -7.344 -13.071 -7.703 300 2HB LYS 44 1HB LYS 44 -6.000 -14.210 -7.621 301 1HG LYS 44 2HG LYS 44 -8.328 -14.320 -5.696 302 2HG LYS 44 1HG LYS 44 -8.327 -15.195 -7.228 303 1HD LYS 44 2HD LYS 44 -6.778 -16.714 -6.513 304 2HD LYS 44 1HD LYS 44 -5.888 -15.513 -5.575 305 1HE LYS 44 2HE LYS 44 -8.630 -16.358 -4.657 306 2HE LYS 44 1HE LYS 44 -7.222 -17.374 -4.286 307 1HZ LYS 44 1HZ LYS 44 -7.527 -15.706 -2.568 308 2HZ LYS 44 2HZ LYS 44 -7.471 -14.464 -3.726 309 3HZ LYS 44 3HZ LYS 44 -6.091 -15.408 -3.421 310 H LEU 45 H LEU 45 -4.685 -10.818 -5.986 311 HA LEU 45 HA LEU 45 -2.208 -12.265 -6.792 312 1HB LEU 45 2HB LEU 45 -3.300 -9.470 -6.916 313 2HB LEU 45 1HB LEU 45 -1.557 -9.720 -7.025 314 HG LEU 45 HG LEU 45 -3.564 -11.183 -8.751 315 1HD1 LEU 45 1HD1 LEU 45 -3.255 -9.590 -10.439 316 2HD1 LEU 45 2HD1 LEU 45 -1.781 -8.955 -9.708 317 3HD1 LEU 45 3HD1 LEU 45 -3.351 -8.584 -8.994 318 1HD2 LEU 45 1HD2 LEU 45 -0.716 -10.767 -9.504 319 2HD2 LEU 45 2HD2 LEU 45 -1.746 -12.178 -9.740 320 3HD2 LEU 45 3HD2 LEU 45 -1.014 -11.874 -8.162 321 HA PRO 46 HA PRO 46 -0.477 -11.664 -2.804 322 1HB PRO 46 2HB PRO 46 2.175 -11.751 -3.462 323 2HB PRO 46 1HB PRO 46 1.138 -13.189 -3.447 324 1HG PRO 46 2HG PRO 46 2.123 -11.598 -5.734 325 2HG PRO 46 1HG PRO 46 1.803 -13.333 -5.614 326 1HD PRO 46 2HD PRO 46 0.136 -11.489 -6.819 327 2HD PRO 46 1HD PRO 46 -0.359 -13.094 -6.251 328 H VAL 47 H VAL 47 1.250 -10.108 -1.737 329 HA VAL 47 HA VAL 47 0.635 -7.397 -2.543 330 HB VAL 47 HB VAL 47 2.144 -8.844 -0.416 331 1HG1 VAL 47 1HG1 VAL 47 3.791 -7.160 -1.169 332 2HG1 VAL 47 2HG1 VAL 47 3.158 -6.775 0.430 333 3HG1 VAL 47 3HG1 VAL 47 2.569 -5.902 -0.986 334 1HG2 VAL 47 1HG2 VAL 47 -0.322 -7.798 -0.556 335 2HG2 VAL 47 2HG2 VAL 47 0.542 -6.377 0.032 336 3HG2 VAL 47 3HG2 VAL 47 0.579 -7.877 0.958 337 H ASP 48 H ASP 48 2.794 -9.650 -3.767 338 HA ASP 48 HA ASP 48 5.057 -7.875 -4.255 339 1HB ASP 48 2HB ASP 48 4.170 -10.579 -5.306 340 2HB ASP 48 1HB ASP 48 5.694 -9.822 -5.768 341 H ILE 49 H ILE 49 2.098 -8.829 -5.853 342 HA ILE 49 HA ILE 49 2.818 -7.519 -8.390 343 HB ILE 49 HB ILE 49 0.097 -8.480 -7.489 344 1HG1 ILE 49 2HG1 ILE 49 1.622 -10.277 -6.919 345 2HG1 ILE 49 1HG1 ILE 49 0.778 -10.719 -8.402 346 1HG2 ILE 49 1HG2 ILE 49 0.564 -9.250 -10.100 347 2HG2 ILE 49 2HG2 ILE 49 1.414 -7.708 -9.990 348 3HG2 ILE 49 3HG2 ILE 49 -0.305 -7.796 -9.606 349 1HD1 ILE 49 1HD1 ILE 49 2.674 -10.029 -9.747 350 2HD1 ILE 49 2HD1 ILE 49 3.229 -11.160 -8.511 351 3HD1 ILE 49 3HD1 ILE 49 3.512 -9.428 -8.314 352 H LEU 50 H LEU 50 0.728 -7.018 -5.592 353 HA LEU 50 HA LEU 50 -0.393 -4.505 -6.542 354 1HB LEU 50 2HB LEU 50 -0.175 -5.511 -3.700 355 2HB LEU 50 1HB LEU 50 -1.438 -4.499 -4.394 356 HG LEU 50 HG LEU 50 -0.921 -7.425 -4.993 357 1HD1 LEU 50 1HD1 LEU 50 -3.246 -7.650 -4.109 358 2HD1 LEU 50 2HD1 LEU 50 -3.212 -5.937 -3.690 359 3HD1 LEU 50 3HD1 LEU 50 -2.103 -7.059 -2.904 360 1HD2 LEU 50 1HD2 LEU 50 -3.362 -6.383 -6.111 361 2HD2 LEU 50 2HD2 LEU 50 -2.022 -7.173 -6.943 362 3HD2 LEU 50 3HD2 LEU 50 -2.000 -5.427 -6.695 363 H GLY 51 H GLY 51 2.394 -5.559 -4.684 364 1HA GLY 51 2HA GLY 51 3.068 -2.971 -3.580 365 2HA GLY 51 1HA GLY 51 4.186 -4.328 -3.760 366 H ARG 52 H ARG 52 3.436 -4.553 -6.615 367 HA ARG 52 HA ARG 52 5.233 -2.416 -7.646 368 1HB ARG 52 2HB ARG 52 4.848 -5.232 -8.056 369 2HB ARG 52 1HB ARG 52 4.589 -4.393 -9.586 370 1HG ARG 52 2HG ARG 52 6.739 -3.218 -9.301 371 2HG ARG 52 1HG ARG 52 7.004 -4.077 -7.785 372 1HD ARG 52 2HD ARG 52 6.409 -5.758 -10.177 373 2HD ARG 52 1HD ARG 52 8.004 -4.981 -10.108 374 HE ARG 52 HE ARG 52 7.254 -6.179 -7.566 375 1HH1 ARG 52 1HH2 ARG 52 8.916 -6.497 -10.566 376 2HH1 ARG 52 2HH2 ARG 52 9.679 -7.988 -10.137 377 1HH2 ARG 52 2HH1 ARG 52 8.097 -8.231 -7.064 378 2HH2 ARG 52 1HH1 ARG 52 9.217 -8.969 -8.160 379 H VAL 53 H VAL 53 1.998 -3.854 -8.081 380 HA VAL 53 HA VAL 53 1.311 -2.356 -10.440 381 HB VAL 53 HB VAL 53 -0.269 -3.639 -8.195 382 1HG1 VAL 53 1HG1 VAL 53 -2.199 -2.751 -8.970 383 2HG1 VAL 53 2HG1 VAL 53 -1.763 -3.118 -10.638 384 3HG1 VAL 53 3HG1 VAL 53 -1.217 -1.617 -9.897 385 1HG2 VAL 53 1HG2 VAL 53 1.120 -4.799 -10.199 386 2HG2 VAL 53 2HG2 VAL 53 -0.398 -4.504 -11.052 387 3HG2 VAL 53 3HG2 VAL 53 -0.383 -5.479 -9.579 388 H TRP 54 H TRP 54 0.989 -1.666 -6.953 389 HA TRP 54 HA TRP 54 -0.446 0.806 -7.279 390 1HB TRP 54 2HB TRP 54 -0.445 -0.148 -5.108 391 2HB TRP 54 1HB TRP 54 1.302 -0.418 -5.134 392 HD1 TRP 54 HD1 TRP 54 2.858 1.804 -5.077 393 HE1 TRP 54 HE1 TRP 54 2.476 4.087 -3.983 394 HE3 TRP 54 HE3 TRP 54 -2.174 1.549 -4.288 395 HZ2 TRP 54 HZ2 TRP 54 0.316 5.606 -2.868 396 HZ3 TRP 54 HZ3 TRP 54 -3.368 3.437 -3.192 397 HH2 TRP 54 HH2 TRP 54 -2.134 5.446 -2.488 398 H GLU 55 H GLU 55 3.051 0.151 -6.711 399 HA GLU 55 HA GLU 55 3.956 2.822 -6.921 400 1HB GLU 55 2HB GLU 55 5.212 0.173 -7.672 401 2HB GLU 55 1HB GLU 55 6.110 1.686 -7.596 402 1HG GLU 55 2HG GLU 55 4.603 1.439 -5.187 403 2HG GLU 55 1HG GLU 55 5.463 -0.075 -5.450 404 H LEU 56 H LEU 56 4.005 0.358 -9.519 405 HA LEU 56 HA LEU 56 4.675 2.108 -11.649 406 1HB LEU 56 2HB LEU 56 2.905 -0.366 -11.601 407 2HB LEU 56 1HB LEU 56 3.668 0.307 -13.042 408 HG LEU 56 HG LEU 56 5.469 -0.233 -10.740 409 1HD1 LEU 56 1HD1 LEU 56 5.261 -2.495 -10.682 410 2HD1 LEU 56 2HD1 LEU 56 4.984 -2.605 -12.420 411 3HD1 LEU 56 3HD1 LEU 56 3.649 -2.201 -11.339 412 1HD2 LEU 56 1HD2 LEU 56 6.814 0.284 -12.501 413 2HD2 LEU 56 2HD2 LEU 56 5.539 -0.036 -13.676 414 3HD2 LEU 56 3HD2 LEU 56 6.505 -1.367 -13.041 415 H SER 57 H SER 57 1.761 1.768 -9.825 416 HA SER 57 HA SER 57 0.053 3.118 -11.838 417 1HB SER 57 2HB SER 57 -0.939 1.330 -10.613 418 2HB SER 57 1HB SER 57 -0.318 1.937 -9.080 419 HG SER 57 HG SER 57 -1.662 3.804 -9.440 420 H ASP 58 H ASP 58 1.602 3.713 -8.710 421 HA ASP 58 HA ASP 58 0.403 6.247 -8.127 422 1HB ASP 58 2HB ASP 58 2.092 4.441 -6.927 423 2HB ASP 58 1HB ASP 58 3.179 5.791 -7.259 424 H ILE 59 H ILE 59 0.484 7.614 -9.985 425 HA ILE 59 HA ILE 59 2.840 8.061 -11.575 426 HB ILE 59 HB ILE 59 0.321 9.666 -11.048 427 1HG1 ILE 59 2HG1 ILE 59 -0.270 7.608 -12.083 428 2HG1 ILE 59 1HG1 ILE 59 -0.174 8.761 -13.412 429 1HG2 ILE 59 1HG2 ILE 59 1.648 10.113 -13.604 430 2HG2 ILE 59 2HG2 ILE 59 2.672 10.576 -12.246 431 3HG2 ILE 59 3HG2 ILE 59 1.069 11.289 -12.425 432 1HD1 ILE 59 1HD1 ILE 59 1.008 6.808 -14.136 433 2HD1 ILE 59 2HD1 ILE 59 1.882 6.692 -12.608 434 3HD1 ILE 59 3HD1 ILE 59 2.238 8.006 -13.729 435 H ASP 60 H ASP 60 1.592 9.573 -8.618 436 HA ASP 60 HA ASP 60 3.927 11.453 -8.657 437 1HB ASP 60 2HB ASP 60 2.496 12.780 -7.101 438 2HB ASP 60 1HB ASP 60 1.714 12.492 -8.655 439 H HIS 61 H HIS 61 2.616 8.695 -7.066 440 HA HIS 61 HA HIS 61 3.387 7.475 -5.203 441 1HB HIS 61 2HB HIS 61 5.705 9.408 -5.526 442 2HB HIS 61 1HB HIS 61 5.739 7.931 -4.568 443 HD1 HIS 61 HD1 HIS 61 6.795 6.059 -5.809 444 HD2 HIS 61 HD2 HIS 61 4.730 8.613 -8.378 445 HE1 HIS 61 HE1 HIS 61 7.059 5.100 -8.139 446 H ASP 62 H ASP 62 1.545 9.548 -4.675 447 HA ASP 62 HA ASP 62 2.581 10.969 -2.276 448 1HB ASP 62 2HB ASP 62 0.458 12.188 -2.470 449 2HB ASP 62 1HB ASP 62 1.246 12.123 -4.047 450 H GLY 63 H GLY 63 1.479 7.952 -2.867 451 1HA GLY 63 2HA GLY 63 0.817 6.329 -1.253 452 2HA GLY 63 1HA GLY 63 0.468 7.637 -0.124 453 H MET 64 H MET 64 -0.783 7.879 -3.358 454 HA MET 64 HA MET 64 -3.451 6.820 -2.557 455 1HB MET 64 2HB MET 64 -2.957 9.653 -3.542 456 2HB MET 64 1HB MET 64 -4.522 8.951 -3.174 457 1HG MET 64 2HG MET 64 -2.627 8.784 -0.939 458 2HG MET 64 1HG MET 64 -2.985 10.428 -1.431 459 1HE MET 64 1HE MET 64 -6.779 10.630 -1.345 460 2HE MET 64 2HE MET 64 -6.243 9.495 -2.582 461 3HE MET 64 3HE MET 64 -5.316 10.963 -2.280 462 H LEU 65 H LEU 65 -4.910 6.682 -4.491 463 HA LEU 65 HA LEU 65 -3.391 6.695 -7.085 464 1HB LEU 65 2HB LEU 65 -5.368 4.765 -5.860 465 2HB LEU 65 1HB LEU 65 -5.094 4.794 -7.601 466 HG LEU 65 HG LEU 65 -3.076 4.219 -5.425 467 1HD1 LEU 65 1HD1 LEU 65 -3.121 2.426 -7.685 468 2HD1 LEU 65 2HD1 LEU 65 -4.752 2.603 -7.035 469 3HD1 LEU 65 3HD1 LEU 65 -3.436 2.069 -5.988 470 1HD2 LEU 65 1HD2 LEU 65 -2.693 4.918 -8.338 471 2HD2 LEU 65 2HD2 LEU 65 -1.515 3.939 -7.465 472 3HD2 LEU 65 3HD2 LEU 65 -1.859 5.585 -6.934 473 H ASP 66 H ASP 66 -4.198 8.558 -8.091 474 HA ASP 66 HA ASP 66 -6.915 9.488 -7.723 475 1HB ASP 66 2HB ASP 66 -6.143 11.312 -8.883 476 2HB ASP 66 1HB ASP 66 -4.578 10.592 -8.521 477 H ARG 67 H ARG 67 -8.542 9.624 -9.467 478 HA ARG 67 HA ARG 67 -9.441 7.276 -10.555 479 1HB ARG 67 2HB ARG 67 -10.540 8.722 -12.269 480 2HB ARG 67 1HB ARG 67 -10.621 9.418 -10.650 481 1HG ARG 67 2HG ARG 67 -8.646 10.816 -11.157 482 2HG ARG 67 1HG ARG 67 -8.590 10.136 -12.784 483 1HD ARG 67 2HD ARG 67 -10.616 11.183 -13.422 484 2HD ARG 67 1HD ARG 67 -11.094 11.474 -11.737 485 HE ARG 67 HE ARG 67 -8.681 12.813 -11.974 486 1HH1 ARG 67 1HH2 ARG 67 -9.212 13.274 -14.826 487 2HH1 ARG 67 2HH2 ARG 67 -10.179 14.711 -14.821 488 1HH2 ARG 67 2HH1 ARG 67 -11.001 14.466 -11.461 489 2HH2 ARG 67 1HH1 ARG 67 -11.193 15.386 -12.917 490 H ASP 68 H ASP 68 -6.957 9.366 -11.994 491 HA ASP 68 HA ASP 68 -6.667 7.649 -14.367 492 1HB ASP 68 2HB ASP 68 -5.291 10.093 -13.228 493 2HB ASP 68 1HB ASP 68 -4.687 9.289 -14.677 494 H GLU 69 H GLU 69 -5.150 8.109 -11.249 495 HA GLU 69 HA GLU 69 -2.776 6.504 -11.781 496 1HB GLU 69 2HB GLU 69 -3.650 8.321 -9.902 497 2HB GLU 69 1HB GLU 69 -3.801 6.800 -9.026 498 1HG GLU 69 2HG GLU 69 -1.536 6.372 -9.094 499 2HG GLU 69 1HG GLU 69 -1.300 7.298 -10.576 500 H PHE 70 H PHE 70 -5.829 6.048 -10.028 501 HA PHE 70 HA PHE 70 -5.468 3.324 -9.269 502 1HB PHE 70 2HB PHE 70 -7.152 5.140 -8.546 503 2HB PHE 70 1HB PHE 70 -8.062 4.711 -9.993 504 HD1 PHE 70 HD1 PHE 70 -7.244 3.803 -6.591 505 HD2 PHE 70 HD2 PHE 70 -8.849 2.317 -10.287 506 HE1 PHE 70 HE1 PHE 70 -8.276 1.904 -5.379 507 HE2 PHE 70 HE2 PHE 70 -9.882 0.420 -9.074 508 HZ PHE 70 HZ PHE 70 -9.598 0.218 -6.621 509 H ALA 71 H ALA 71 -6.067 4.805 -12.322 510 HA ALA 71 HA ALA 71 -7.435 2.546 -13.571 511 1HB ALA 71 1HB ALA 71 -7.134 3.887 -15.577 512 2HB ALA 71 2HB ALA 71 -5.875 4.841 -14.792 513 3HB ALA 71 3HB ALA 71 -7.549 4.972 -14.250 514 H VAL 72 H VAL 72 -4.135 3.878 -13.755 515 HA VAL 72 HA VAL 72 -3.003 1.900 -15.449 516 HB VAL 72 HB VAL 72 -1.779 3.481 -13.155 517 1HG1 VAL 72 1HG1 VAL 72 0.294 3.277 -14.596 518 2HG1 VAL 72 2HG1 VAL 72 -0.578 2.087 -15.561 519 3HG1 VAL 72 3HG1 VAL 72 -0.242 1.768 -13.859 520 1HG2 VAL 72 1HG2 VAL 72 -1.979 4.156 -16.111 521 2HG2 VAL 72 2HG2 VAL 72 -1.263 5.169 -14.856 522 3HG2 VAL 72 3HG2 VAL 72 -3.001 4.859 -14.858 523 H ALA 73 H ALA 73 -3.751 1.875 -12.008 524 HA ALA 73 HA ALA 73 -2.252 -0.634 -11.532 525 1HB ALA 73 1HB ALA 73 -3.407 1.582 -10.060 526 2HB ALA 73 2HB ALA 73 -2.157 0.446 -9.554 527 3HB ALA 73 3HB ALA 73 -3.862 0.041 -9.334 528 H MET 74 H MET 74 -5.303 0.135 -12.777 529 HA MET 74 HA MET 74 -6.796 -2.054 -11.488 530 1HB MET 74 2HB MET 74 -7.251 0.094 -13.529 531 2HB MET 74 1HB MET 74 -8.373 -1.265 -13.475 532 1HG MET 74 2HG MET 74 -7.624 0.197 -10.954 533 2HG MET 74 1HG MET 74 -8.900 0.813 -12.004 534 1HE MET 74 1HE MET 74 -8.992 -1.615 -8.681 535 2HE MET 74 2HE MET 74 -7.556 -1.193 -9.613 536 3HE MET 74 3HE MET 74 -8.217 -2.824 -9.715 537 H PHE 75 H PHE 75 -5.530 -1.361 -14.752 538 HA PHE 75 HA PHE 75 -6.228 -4.014 -15.731 539 1HB PHE 75 2HB PHE 75 -5.406 -3.174 -17.764 540 2HB PHE 75 1HB PHE 75 -5.872 -1.689 -16.934 541 HD1 PHE 75 HD1 PHE 75 -3.004 -3.919 -17.712 542 HD2 PHE 75 HD2 PHE 75 -4.260 -0.062 -16.307 543 HE1 PHE 75 HE1 PHE 75 -0.665 -3.111 -17.845 544 HE2 PHE 75 HE2 PHE 75 -1.927 0.747 -16.444 545 HZ PHE 75 HZ PHE 75 -0.126 -0.779 -17.212 546 H LEU 76 H LEU 76 -3.509 -2.448 -14.193 547 HA LEU 76 HA LEU 76 -1.509 -4.458 -14.711 548 1HB LEU 76 2HB LEU 76 -1.954 -2.079 -13.018 549 2HB LEU 76 1HB LEU 76 -0.841 -3.264 -12.334 550 HG LEU 76 HG LEU 76 -0.613 -2.266 -15.178 551 1HD1 LEU 76 1HD1 LEU 76 -0.344 -0.566 -13.136 552 2HD1 LEU 76 2HD1 LEU 76 0.751 -0.524 -14.519 553 3HD1 LEU 76 3HD1 LEU 76 1.241 -1.332 -13.030 554 1HD2 LEU 76 1HD2 LEU 76 1.131 -3.696 -15.314 555 2HD2 LEU 76 2HD2 LEU 76 0.571 -4.392 -13.794 556 3HD2 LEU 76 3HD2 LEU 76 1.796 -3.124 -13.784 557 H VAL 77 H VAL 77 -4.223 -4.195 -12.579 558 HA VAL 77 HA VAL 77 -3.331 -6.407 -10.824 559 HB VAL 77 HB VAL 77 -5.738 -4.565 -10.984 560 1HG1 VAL 77 1HG1 VAL 77 -5.158 -6.782 -8.994 561 2HG1 VAL 77 2HG1 VAL 77 -6.487 -6.749 -10.152 562 3HG1 VAL 77 3HG1 VAL 77 -6.442 -5.584 -8.828 563 1HG2 VAL 77 1HG2 VAL 77 -3.877 -4.822 -8.650 564 2HG2 VAL 77 2HG2 VAL 77 -4.763 -3.410 -9.229 565 3HG2 VAL 77 3HG2 VAL 77 -3.323 -3.956 -10.081 566 H TYR 78 H TYR 78 -5.922 -5.679 -13.161 567 HA TYR 78 HA TYR 78 -7.128 -8.293 -13.022 568 1HB TYR 78 2HB TYR 78 -7.330 -5.790 -14.585 569 2HB TYR 78 1HB TYR 78 -7.900 -7.242 -15.412 570 HD1 TYR 78 HD1 TYR 78 -9.099 -4.630 -13.621 571 HD2 TYR 78 HD2 TYR 78 -9.069 -8.922 -13.464 572 HE1 TYR 78 HE1 TYR 78 -11.167 -4.589 -12.258 573 HE2 TYR 78 HE2 TYR 78 -11.145 -8.885 -12.099 574 HH TYR 78 HH TYR 78 -13.116 -6.229 -11.825 575 H CYS 79 H CYS 79 -4.445 -6.970 -14.858 576 HA CYS 79 HA CYS 79 -4.448 -9.162 -16.820 577 1HB CYS 79 2HB CYS 79 -2.725 -6.782 -16.130 578 2HB CYS 79 1HB CYS 79 -2.126 -8.008 -17.247 579 HG CYS 79 HG CYS 79 -3.524 -6.050 -18.491 580 H ALA 80 H ALA 80 -3.147 -8.521 -13.655 581 HA ALA 80 HA ALA 80 -0.996 -10.496 -13.808 582 1HB ALA 80 1HB ALA 80 -1.343 -10.088 -11.188 583 2HB ALA 80 2HB ALA 80 -2.293 -8.721 -11.774 584 3HB ALA 80 3HB ALA 80 -0.588 -8.861 -12.205 585 H LEU 81 H LEU 81 -4.367 -10.576 -13.525 586 HA LEU 81 HA LEU 81 -4.498 -13.068 -11.950 587 1HB LEU 81 2HB LEU 81 -6.364 -11.035 -13.102 588 2HB LEU 81 1HB LEU 81 -7.002 -12.628 -12.686 589 HG LEU 81 HG LEU 81 -5.290 -11.734 -10.568 590 1HD1 LEU 81 1HD1 LEU 81 -6.384 -9.558 -11.864 591 2HD1 LEU 81 2HD1 LEU 81 -5.879 -9.583 -10.174 592 3HD1 LEU 81 3HD1 LEU 81 -7.566 -9.882 -10.596 593 1HD2 LEU 81 1HD2 LEU 81 -6.880 -13.058 -9.666 594 2HD2 LEU 81 2HD2 LEU 81 -7.956 -12.814 -11.040 595 3HD2 LEU 81 3HD2 LEU 81 -7.946 -11.653 -9.712 596 H GLU 82 H GLU 82 -5.338 -11.947 -15.235 597 HA GLU 82 HA GLU 82 -5.195 -14.807 -16.132 598 1HB GLU 82 2HB GLU 82 -7.451 -14.433 -16.290 599 2HB GLU 82 1HB GLU 82 -7.254 -12.684 -16.354 600 1HG GLU 82 2HG GLU 82 -8.125 -13.442 -18.491 601 2HG GLU 82 1HG GLU 82 -6.457 -12.915 -18.722 602 H LYS 83 H LYS 83 -3.891 -11.677 -16.579 603 HA LYS 83 HA LYS 83 -3.284 -12.216 -19.449 604 1HB LYS 83 2HB LYS 83 -4.257 -10.042 -18.624 605 2HB LYS 83 1HB LYS 83 -2.738 -9.744 -17.790 606 1HG LYS 83 2HG LYS 83 -1.669 -9.179 -19.706 607 2HG LYS 83 1HG LYS 83 -2.375 -10.532 -20.590 608 1HD LYS 83 2HD LYS 83 -4.550 -8.865 -20.148 609 2HD LYS 83 1HD LYS 83 -3.236 -7.736 -20.483 610 1HE LYS 83 2HE LYS 83 -2.711 -9.427 -22.464 611 2HE LYS 83 1HE LYS 83 -4.429 -9.831 -22.269 612 1HZ LYS 83 1HZ LYS 83 -3.196 -7.281 -23.021 613 2HZ LYS 83 2HZ LYS 83 -4.617 -7.231 -22.090 614 3HZ LYS 83 3HZ LYS 83 -4.615 -8.005 -23.603 615 H GLU 84 H GLU 84 -1.128 -10.336 -17.391 616 HA GLU 84 HA GLU 84 0.906 -12.524 -17.497 617 1HB GLU 84 2HB GLU 84 0.744 -10.164 -19.131 618 2HB GLU 84 1HB GLU 84 2.159 -10.029 -18.086 619 1HG GLU 84 2HG GLU 84 3.253 -11.454 -19.438 620 2HG GLU 84 1HG GLU 84 2.090 -12.709 -19.011 621 HA PRO 85 HA PRO 85 2.201 -11.081 -13.566 622 1HB PRO 85 2HB PRO 85 4.923 -10.814 -13.763 623 2HB PRO 85 1HB PRO 85 4.104 -12.388 -13.704 624 1HG PRO 85 2HG PRO 85 5.150 -10.888 -16.058 625 2HG PRO 85 1HG PRO 85 5.227 -12.621 -15.701 626 1HD PRO 85 2HD PRO 85 3.439 -11.568 -17.439 627 2HD PRO 85 1HD PRO 85 3.090 -13.011 -16.459 628 H VAL 86 H VAL 86 4.199 -9.307 -12.753 629 HA VAL 86 HA VAL 86 3.730 -6.798 -14.299 630 HB VAL 86 HB VAL 86 3.073 -7.373 -11.401 631 1HG1 VAL 86 1HG1 VAL 86 2.972 -4.676 -12.774 632 2HG1 VAL 86 2HG1 VAL 86 4.327 -5.186 -11.767 633 3HG1 VAL 86 3HG1 VAL 86 2.720 -5.024 -11.065 634 1HG2 VAL 86 1HG2 VAL 86 1.547 -6.709 -13.896 635 2HG2 VAL 86 2HG2 VAL 86 0.914 -6.155 -12.346 636 3HG2 VAL 86 3HG2 VAL 86 1.166 -7.878 -12.632 637 HA PRO 87 HA PRO 87 7.951 -6.390 -12.935 638 1HB PRO 87 2HB PRO 87 8.563 -4.313 -14.598 639 2HB PRO 87 1HB PRO 87 8.435 -5.989 -15.165 640 1HG PRO 87 2HG PRO 87 6.638 -3.731 -15.624 641 2HG PRO 87 1HG PRO 87 6.789 -5.251 -16.512 642 1HD PRO 87 2HD PRO 87 4.824 -4.525 -14.551 643 2HD PRO 87 1HD PRO 87 4.954 -6.039 -15.473 644 H MET 88 H MET 88 9.198 -3.924 -12.771 645 HA MET 88 HA MET 88 7.471 -2.427 -10.819 646 1HB MET 88 2HB MET 88 10.040 -1.753 -10.221 647 2HB MET 88 1HB MET 88 9.157 -3.053 -9.422 648 1HG MET 88 2HG MET 88 10.162 -4.714 -10.837 649 2HG MET 88 1HG MET 88 10.807 -3.486 -11.927 650 1HE MET 88 1HE MET 88 12.646 -4.905 -11.856 651 2HE MET 88 2HE MET 88 13.942 -4.943 -10.663 652 3HE MET 88 3HE MET 88 13.714 -3.508 -11.660 653 H SER 89 H SER 89 8.831 -2.212 -13.840 654 HA SER 89 HA SER 89 9.458 0.690 -13.553 655 1HB SER 89 2HB SER 89 10.169 -1.511 -15.453 656 2HB SER 89 1HB SER 89 10.297 0.166 -15.967 657 HG SER 89 HG SER 89 11.843 0.515 -14.497 658 H LEU 90 H LEU 90 7.444 1.631 -13.691 659 HA LEU 90 HA LEU 90 5.344 0.818 -15.455 660 1HB LEU 90 2HB LEU 90 4.448 2.259 -13.948 661 2HB LEU 90 1HB LEU 90 6.025 2.937 -13.568 662 HG LEU 90 HG LEU 90 5.873 4.403 -15.523 663 1HD1 LEU 90 1HD1 LEU 90 4.194 2.624 -16.614 664 2HD1 LEU 90 2HD1 LEU 90 4.151 4.326 -17.074 665 3HD1 LEU 90 3HD1 LEU 90 2.992 3.700 -15.903 666 1HD2 LEU 90 1HD2 LEU 90 4.071 4.436 -13.239 667 2HD2 LEU 90 2HD2 LEU 90 3.394 5.316 -14.608 668 3HD2 LEU 90 3HD2 LEU 90 4.973 5.767 -13.964 669 HA PRO 91 HA PRO 91 7.687 2.030 -19.096 670 1HB PRO 91 2HB PRO 91 5.839 1.045 -20.877 671 2HB PRO 91 1HB PRO 91 7.051 0.038 -20.057 672 1HG PRO 91 2HG PRO 91 4.180 0.476 -19.367 673 2HG PRO 91 1HG PRO 91 5.115 -1.028 -19.381 674 1HD PRO 91 2HD PRO 91 4.580 0.275 -17.094 675 2HD PRO 91 1HD PRO 91 6.119 -0.584 -17.343 676 HA PRO 92 HA PRO 92 5.815 5.767 -20.345 677 1HB PRO 92 2HB PRO 92 6.357 5.857 -23.029 678 2HB PRO 92 1HB PRO 92 7.591 6.097 -21.777 679 1HG PRO 92 2HG PRO 92 6.981 3.671 -23.392 680 2HG PRO 92 1HG PRO 92 8.547 4.330 -22.891 681 1HD PRO 92 2HD PRO 92 7.362 2.214 -21.661 682 2HD PRO 92 1HD PRO 92 8.452 3.342 -20.825 683 H ALA 93 H ALA 93 4.677 2.827 -21.772 684 HA ALA 93 HA ALA 93 2.468 4.121 -23.240 685 1HB ALA 93 1HB ALA 93 2.718 2.176 -24.364 686 2HB ALA 93 2HB ALA 93 2.094 1.324 -22.950 687 3HB ALA 93 3HB ALA 93 3.831 1.578 -23.133 688 H LEU 94 H LEU 94 3.052 3.687 -20.050 689 HA LEU 94 HA LEU 94 0.187 3.060 -19.451 690 1HB LEU 94 2HB LEU 94 2.812 2.289 -18.201 691 2HB LEU 94 1HB LEU 94 1.367 2.345 -17.193 692 HG LEU 94 HG LEU 94 1.616 0.092 -18.034 693 1HD1 LEU 94 1HD1 LEU 94 -0.517 1.532 -19.628 694 2HD1 LEU 94 2HD1 LEU 94 -0.671 1.056 -17.943 695 3HD1 LEU 94 3HD1 LEU 94 -0.511 -0.172 -19.197 696 1HD2 LEU 94 1HD2 LEU 94 2.422 -0.381 -20.090 697 2HD2 LEU 94 2HD2 LEU 94 2.745 1.344 -20.256 698 3HD2 LEU 94 3HD2 LEU 94 1.242 0.666 -20.872 699 H VAL 95 H VAL 95 2.376 5.546 -19.517 700 HA VAL 95 HA VAL 95 1.108 6.876 -17.143 701 HB VAL 95 HB VAL 95 3.562 6.182 -17.018 702 1HG1 VAL 95 1HG1 VAL 95 4.007 6.804 -19.428 703 2HG1 VAL 95 2HG1 VAL 95 5.172 7.465 -18.280 704 3HG1 VAL 95 3HG1 VAL 95 3.904 8.496 -18.944 705 1HG2 VAL 95 1HG2 VAL 95 2.960 7.800 -15.437 706 2HG2 VAL 95 2HG2 VAL 95 2.554 8.995 -16.670 707 3HG2 VAL 95 3HG2 VAL 95 4.242 8.624 -16.324 708 HA PRO 96 HA PRO 96 -0.240 9.804 -20.179 709 1HB PRO 96 2HB PRO 96 -1.058 11.752 -18.433 710 2HB PRO 96 1HB PRO 96 -1.993 10.276 -18.742 711 1HG PRO 96 2HG PRO 96 -0.185 10.926 -16.466 712 2HG PRO 96 1HG PRO 96 -1.737 10.074 -16.466 713 1HD PRO 96 2HD PRO 96 0.657 8.797 -16.308 714 2HD PRO 96 1HD PRO 96 -0.787 8.064 -17.044 715 HA PRO 97 HA PRO 97 3.055 12.676 -20.590 716 1HB PRO 97 2HB PRO 97 1.831 14.933 -21.539 717 2HB PRO 97 1HB PRO 97 2.052 13.467 -22.518 718 1HG PRO 97 2HG PRO 97 -0.369 14.432 -21.074 719 2HG PRO 97 1HG PRO 97 -0.235 13.657 -22.661 720 1HD PRO 97 2HD PRO 97 -1.021 12.336 -20.413 721 2HD PRO 97 1HD PRO 97 -0.192 11.545 -21.772 722 H SER 98 H SER 98 0.629 13.218 -18.289 723 HA SER 98 HA SER 98 1.665 15.793 -17.323 724 1HB SER 98 2HB SER 98 -0.696 15.322 -17.099 725 2HB SER 98 1HB SER 98 -0.365 13.774 -16.325 726 HG SER 98 HG SER 98 -0.885 15.792 -15.005 727 H LYS 99 H LYS 99 2.838 12.721 -17.216 728 HA LYS 99 HA LYS 99 3.976 13.035 -14.466 729 1HB LYS 99 2HB LYS 99 2.609 10.971 -15.385 730 2HB LYS 99 1HB LYS 99 4.133 10.559 -16.169 731 1HG LYS 99 2HG LYS 99 4.213 11.294 -13.276 732 2HG LYS 99 1HG LYS 99 3.572 9.708 -13.705 733 1HD LYS 99 2HD LYS 99 5.628 8.914 -14.165 734 2HD LYS 99 1HD LYS 99 5.993 10.294 -15.198 735 1HE LYS 99 2HE LYS 99 7.013 11.478 -13.489 736 2HE LYS 99 1HE LYS 99 5.985 10.753 -12.238 737 1HZ LYS 99 1HZ LYS 99 7.252 8.611 -13.295 738 2HZ LYS 99 2HZ LYS 99 7.720 9.409 -11.871 739 3HZ LYS 99 3HZ LYS 99 8.468 9.793 -13.346 740 H ARG 100 H ARG 100 4.693 13.759 -17.614 741 HA ARG 100 HA ARG 100 7.623 13.530 -17.076 742 1HB ARG 100 2HB ARG 100 7.780 12.671 -19.499 743 2HB ARG 100 1HB ARG 100 7.159 11.544 -18.294 744 1HG ARG 100 2HG ARG 100 4.843 12.163 -18.926 745 2HG ARG 100 1HG ARG 100 5.483 13.242 -20.167 746 1HD ARG 100 2HD ARG 100 4.790 10.889 -20.958 747 2HD ARG 100 1HD ARG 100 6.433 11.399 -21.397 748 HE ARG 100 HE ARG 100 5.883 9.747 -18.958 749 1HH1 ARG 100 1HH2 ARG 100 6.967 9.475 -22.098 750 2HH1 ARG 100 2HH2 ARG 100 8.497 8.765 -21.707 751 1HH2 ARG 100 2HH1 ARG 100 8.175 9.299 -18.295 752 2HH2 ARG 100 1HH1 ARG 100 9.183 8.665 -19.554 753 H SER 107 1H SER 107 9.332 3.028 1.920 754 HA SER 107 HA SER 107 9.667 3.578 -0.929 755 1HB SER 107 2HB SER 107 10.226 1.364 -1.206 756 2HB SER 107 1HB SER 107 9.574 0.903 0.363 757 HG SER 107 HG SER 107 8.300 0.090 -1.341 758 H THR 108 H THR 108 7.728 4.467 -1.561 759 HA THR 108 HA THR 108 5.534 4.656 0.376 760 HB THR 108 HB THR 108 4.565 5.956 -1.659 761 HG1 THR 108 HG1 THR 108 5.732 5.307 -3.337 762 1HG2 THR 108 1HG2 THR 108 5.501 7.160 0.188 763 2HG2 THR 108 2HG2 THR 108 6.238 7.828 -1.268 764 3HG2 THR 108 3HG2 THR 108 7.143 6.698 -0.261 765 H ASN 109 H ASN 109 5.039 2.288 0.405 766 HA ASN 109 HA ASN 109 3.018 1.625 -1.651 767 1HB ASN 109 2HB ASN 109 5.260 0.903 -2.508 768 2HB ASN 109 1HB ASN 109 5.430 -0.135 -1.089 769 1HD2 ASN 109 1HD2 ASN 109 3.468 0.373 -4.031 770 2HD2 ASN 109 2HD2 ASN 109 2.847 -1.205 -4.086 771 HA PRO 110 HA PRO 110 1.547 0.208 2.347 772 1HB PRO 110 2HB PRO 110 -1.048 -0.134 1.560 773 2HB PRO 110 1HB PRO 110 -0.356 1.450 1.958 774 1HG PRO 110 2HG PRO 110 -0.851 0.218 -0.699 775 2HG PRO 110 1HG PRO 110 -1.055 1.895 -0.179 776 1HD PRO 110 2HD PRO 110 1.083 1.015 -1.634 777 2HD PRO 110 1HD PRO 110 1.146 2.411 -0.535 778 H PHE 111 H PHE 111 2.106 -1.512 -0.448 779 HA PHE 111 HA PHE 111 0.818 -4.022 0.548 780 1HB PHE 111 2HB PHE 111 2.325 -3.642 -2.052 781 2HB PHE 111 1HB PHE 111 1.081 -4.833 -1.681 782 HD1 PHE 111 HD1 PHE 111 1.664 -1.177 -2.139 783 HD2 PHE 111 HD2 PHE 111 -1.230 -4.361 -2.092 784 HE1 PHE 111 HE1 PHE 111 -0.063 0.382 -2.967 785 HE2 PHE 111 HE2 PHE 111 -2.949 -2.789 -2.927 786 HZ PHE 111 HZ PHE 111 -2.367 -0.419 -3.354 787 H ARG 112 HN ARG 112 3.918 -3.058 -0.928 788 HA ARG 112 HA ARG 112 5.327 -5.241 0.456 789 1HB ARG 112 2HB ARG 112 5.583 -3.953 -1.938 790 2HB ARG 112 1HB ARG 112 6.809 -3.116 -0.982 791 1HG ARG 112 2HG ARG 112 7.208 -5.751 -0.278 792 2HG ARG 112 1HG ARG 112 6.783 -5.875 -1.985 793 1HD ARG 112 2HD ARG 112 8.686 -3.696 -1.333 794 2HD ARG 112 1HD ARG 112 9.312 -5.345 -1.125 795 HE ARG 112 HE ARG 112 8.506 -4.131 -3.669 796 1HH1 ARG 112 1HH2 ARG 112 10.827 -6.030 -3.239 797 2HH1 ARG 112 2HH2 ARG 112 10.245 -7.467 -4.010 798 1HH2 ARG 112 1HH1 ARG 112 6.940 -6.413 -4.074 799 2HH2 ARG 112 2HH1 ARG 112 8.042 -7.685 -4.482 Start of MODEL 13 1 HA PRO 6 HA PRO 6 -1.839 5.222 -27.589 2 1HB PRO 6 2HB PRO 6 -4.187 3.967 -26.965 3 2HB PRO 6 1HB PRO 6 -3.773 4.464 -28.619 4 1HG PRO 6 2HG PRO 6 -3.616 1.773 -27.355 5 2HG PRO 6 1HG PRO 6 -4.101 2.223 -28.998 6 1HD PRO 6 2HD PRO 6 -1.645 1.206 -28.367 7 2HD PRO 6 1HD PRO 6 -1.944 2.269 -29.759 8 H TRP 7 H TRP 7 -3.458 5.192 -25.398 9 HA TRP 7 HA TRP 7 -1.740 4.839 -23.178 10 1HB TRP 7 2HB TRP 7 -3.813 6.227 -23.299 11 2HB TRP 7 1HB TRP 7 -4.775 4.750 -23.301 12 HD1 TRP 7 HD1 TRP 7 -1.788 4.394 -21.190 13 HE1 TRP 7 HE1 TRP 7 -2.396 4.592 -18.694 14 HE3 TRP 7 HE3 TRP 7 -6.539 6.208 -21.593 15 HZ2 TRP 7 HZ2 TRP 7 -4.611 5.416 -17.082 16 HZ3 TRP 7 HZ3 TRP 7 -7.876 6.691 -19.563 17 HH2 TRP 7 HH2 TRP 7 -6.919 6.299 -17.309 18 H ALA 8 H ALA 8 -0.995 2.928 -22.338 19 HA ALA 8 HA ALA 8 -1.560 0.336 -23.085 20 1HB ALA 8 1HB ALA 8 0.042 1.433 -21.304 21 2HB ALA 8 2HB ALA 8 -0.442 -0.251 -21.112 22 3HB ALA 8 3HB ALA 8 -1.243 1.011 -20.174 23 H VAL 9 H VAL 9 -3.571 2.428 -21.120 24 HA VAL 9 HA VAL 9 -5.379 0.182 -20.390 25 HB VAL 9 HB VAL 9 -5.019 3.077 -19.619 26 1HG1 VAL 9 1HG1 VAL 9 -7.059 2.134 -18.006 27 2HG1 VAL 9 2HG1 VAL 9 -7.504 1.515 -19.597 28 3HG1 VAL 9 3HG1 VAL 9 -7.265 3.246 -19.359 29 1HG2 VAL 9 1HG2 VAL 9 -3.707 1.206 -18.542 30 2HG2 VAL 9 2HG2 VAL 9 -5.235 0.550 -17.956 31 3HG2 VAL 9 3HG2 VAL 9 -4.690 2.137 -17.413 32 H LYS 10 H LYS 10 -7.545 0.100 -21.145 33 HA LYS 10 HA LYS 10 -8.065 1.642 -23.635 34 1HB LYS 10 2HB LYS 10 -9.800 -0.534 -22.478 35 2HB LYS 10 1HB LYS 10 -9.492 -0.154 -24.170 36 1HG LYS 10 2HG LYS 10 -7.565 -1.446 -22.223 37 2HG LYS 10 1HG LYS 10 -8.319 -2.200 -23.628 38 1HD LYS 10 2HD LYS 10 -7.194 -0.334 -25.007 39 2HD LYS 10 1HD LYS 10 -6.207 -0.045 -23.573 40 1HE LYS 10 2HE LYS 10 -6.192 -2.847 -23.947 41 2HE LYS 10 1HE LYS 10 -5.924 -2.136 -25.551 42 1HZ LYS 10 1HZ LYS 10 -4.575 -0.917 -23.257 43 2HZ LYS 10 2HZ LYS 10 -4.062 -1.042 -24.872 44 3HZ LYS 10 3HZ LYS 10 -3.960 -2.387 -23.837 45 HA PRO 11 HA PRO 11 -11.220 4.131 -21.851 46 1HB PRO 11 2HB PRO 11 -13.278 3.930 -23.649 47 2HB PRO 11 1HB PRO 11 -11.803 4.863 -23.972 48 1HG PRO 11 2HG PRO 11 -12.555 2.129 -24.887 49 2HG PRO 11 1HG PRO 11 -11.734 3.428 -25.768 50 1HD PRO 11 2HD PRO 11 -10.419 1.310 -24.712 51 2HD PRO 11 1HD PRO 11 -9.679 2.916 -24.875 52 H GLU 12 H GLU 12 -12.204 0.907 -22.905 53 HA GLU 12 HA GLU 12 -14.555 0.834 -21.143 54 1HB GLU 12 2HB GLU 12 -14.906 -1.292 -22.155 55 2HB GLU 12 1HB GLU 12 -14.174 -0.317 -23.428 56 1HG GLU 12 2HG GLU 12 -11.922 -1.248 -22.652 57 2HG GLU 12 1HG GLU 12 -12.846 -2.410 -21.699 58 H ASP 13 H ASP 13 -11.180 -0.114 -21.043 59 HA ASP 13 HA ASP 13 -11.459 -1.826 -18.682 60 1HB ASP 13 2HB ASP 13 -9.263 -0.695 -20.400 61 2HB ASP 13 1HB ASP 13 -8.850 -1.396 -18.835 62 H LYS 14 H LYS 14 -10.748 1.530 -19.429 63 HA LYS 14 HA LYS 14 -9.921 2.205 -16.697 64 1HB LYS 14 2HB LYS 14 -9.402 3.254 -19.105 65 2HB LYS 14 1HB LYS 14 -10.831 4.211 -18.716 66 1HG LYS 14 2HG LYS 14 -8.879 3.960 -16.518 67 2HG LYS 14 1HG LYS 14 -8.305 4.867 -17.918 68 1HD LYS 14 2HD LYS 14 -10.087 6.437 -17.763 69 2HD LYS 14 1HD LYS 14 -11.001 5.403 -16.663 70 1HE LYS 14 2HE LYS 14 -9.612 5.900 -14.831 71 2HE LYS 14 1HE LYS 14 -8.268 6.409 -15.870 72 1HZ LYS 14 1HZ LYS 14 -9.064 8.468 -15.886 73 2HZ LYS 14 2HZ LYS 14 -10.304 8.006 -14.821 74 3HZ LYS 14 3HZ LYS 14 -10.552 7.931 -16.501 75 H ALA 15 H ALA 15 -12.834 2.029 -18.563 76 HA ALA 15 HA ALA 15 -14.483 3.840 -17.043 77 1HB ALA 15 1HB ALA 15 -14.968 1.439 -18.827 78 2HB ALA 15 2HB ALA 15 -15.176 3.144 -19.227 79 3HB ALA 15 3HB ALA 15 -16.297 2.355 -18.118 80 H LYS 16 H LYS 16 -13.760 0.362 -16.793 81 HA LYS 16 HA LYS 16 -15.566 -0.055 -14.548 82 1HB LYS 16 2HB LYS 16 -15.029 -2.231 -14.981 83 2HB LYS 16 1HB LYS 16 -14.214 -1.594 -16.405 84 1HG LYS 16 2HG LYS 16 -12.100 -1.554 -15.282 85 2HG LYS 16 1HG LYS 16 -12.853 -1.877 -13.721 86 1HD LYS 16 2HD LYS 16 -12.206 -4.025 -14.230 87 2HD LYS 16 1HD LYS 16 -13.766 -4.018 -15.050 88 1HE LYS 16 2HE LYS 16 -11.659 -2.900 -16.740 89 2HE LYS 16 1HE LYS 16 -11.316 -4.573 -16.256 90 1HZ LYS 16 1HZ LYS 16 -13.792 -3.528 -17.515 91 2HZ LYS 16 2HZ LYS 16 -13.693 -5.067 -16.801 92 3HZ LYS 16 3HZ LYS 16 -12.725 -4.686 -18.144 93 H TYR 17 H TYR 17 -12.253 0.952 -15.026 94 HA TYR 17 HA TYR 17 -11.257 0.571 -12.356 95 1HB TYR 17 2HB TYR 17 -10.600 2.573 -14.549 96 2HB TYR 17 1HB TYR 17 -9.591 2.279 -13.137 97 HD1 TYR 17 HD1 TYR 17 -8.105 1.896 -15.423 98 HD2 TYR 17 HD2 TYR 17 -11.037 -0.794 -13.808 99 HE1 TYR 17 HE1 TYR 17 -7.005 0.002 -16.587 100 HE2 TYR 17 HE2 TYR 17 -9.945 -2.685 -14.975 101 HH TYR 17 HH TYR 17 -8.232 -2.631 -17.355 102 H ASP 18 H ASP 18 -13.042 3.158 -13.976 103 HA ASP 18 HA ASP 18 -12.872 5.095 -11.835 104 1HB ASP 18 2HB ASP 18 -13.995 4.788 -14.463 105 2HB ASP 18 1HB ASP 18 -15.260 5.386 -13.387 106 H ALA 19 H ALA 19 -14.843 2.266 -12.374 107 HA ALA 19 HA ALA 19 -16.942 3.051 -10.473 108 1HB ALA 19 1HB ALA 19 -17.156 1.516 -12.509 109 2HB ALA 19 2HB ALA 19 -17.826 0.876 -11.008 110 3HB ALA 19 3HB ALA 19 -16.256 0.315 -11.583 111 H ILE 20 H ILE 20 -14.052 0.999 -10.556 112 HA ILE 20 HA ILE 20 -14.375 0.025 -7.842 113 HB ILE 20 HB ILE 20 -12.128 0.101 -9.877 114 1HG1 ILE 20 2HG1 ILE 20 -13.629 -2.317 -8.887 115 2HG1 ILE 20 1HG1 ILE 20 -14.308 -1.305 -10.162 116 1HG2 ILE 20 1HG2 ILE 20 -12.143 -1.682 -7.464 117 2HG2 ILE 20 2HG2 ILE 20 -11.533 -0.033 -7.329 118 3HG2 ILE 20 3HG2 ILE 20 -10.780 -1.163 -8.455 119 1HD1 ILE 20 1HD1 ILE 20 -12.951 -3.221 -11.042 120 2HD1 ILE 20 2HD1 ILE 20 -11.533 -2.523 -10.256 121 3HD1 ILE 20 3HD1 ILE 20 -12.346 -1.646 -11.552 122 H PHE 21 H PHE 21 -12.853 2.705 -9.491 123 HA PHE 21 HA PHE 21 -11.226 3.602 -7.277 124 1HB PHE 21 2HB PHE 21 -10.463 4.453 -9.284 125 2HB PHE 21 1HB PHE 21 -12.080 4.506 -9.981 126 HD1 PHE 21 HD1 PHE 21 -9.476 6.404 -8.359 127 HD2 PHE 21 HD2 PHE 21 -13.691 6.320 -9.179 128 HE1 PHE 21 HE1 PHE 21 -9.622 8.831 -7.862 129 HE2 PHE 21 HE2 PHE 21 -13.838 8.745 -8.682 130 HZ PHE 21 HZ PHE 21 -11.805 9.999 -8.022 131 H ASP 22 H ASP 22 -14.434 4.343 -8.533 132 HA ASP 22 HA ASP 22 -14.981 6.344 -6.442 133 1HB ASP 22 2HB ASP 22 -15.866 6.819 -8.587 134 2HB ASP 22 1HB ASP 22 -16.422 5.159 -8.816 135 H SER 23 H SER 23 -14.862 3.043 -6.456 136 HA SER 23 HA SER 23 -17.345 2.565 -4.903 137 1HB SER 23 2HB SER 23 -15.298 1.032 -6.379 138 2HB SER 23 1HB SER 23 -15.856 0.248 -4.903 139 HG SER 23 HG SER 23 -18.034 0.788 -5.739 140 H LEU 24 H LEU 24 -14.217 3.632 -4.361 141 HA LEU 24 HA LEU 24 -14.062 2.491 -1.601 142 1HB LEU 24 2HB LEU 24 -11.878 4.113 -2.818 143 2HB LEU 24 1HB LEU 24 -11.771 2.642 -1.857 144 HG LEU 24 HG LEU 24 -12.614 2.826 -4.758 145 1HD1 LEU 24 1HD1 LEU 24 -10.079 2.917 -3.731 146 2HD1 LEU 24 2HD1 LEU 24 -10.474 2.235 -5.310 147 3HD1 LEU 24 3HD1 LEU 24 -10.305 1.177 -3.908 148 1HD2 LEU 24 1HD2 LEU 24 -13.061 0.551 -4.710 149 2HD2 LEU 24 2HD2 LEU 24 -13.596 1.011 -3.094 150 3HD2 LEU 24 3HD2 LEU 24 -12.012 0.271 -3.322 151 H SER 25 H SER 25 -14.977 5.228 -3.334 152 HA SER 25 HA SER 25 -15.816 7.300 -2.505 153 1HB SER 25 2HB SER 25 -14.399 6.818 0.098 154 2HB SER 25 1HB SER 25 -15.932 7.632 -0.200 155 HG SER 25 HG SER 25 -16.928 5.764 -0.171 156 HA PRO 26 HA PRO 26 -11.597 8.712 -3.534 157 1HB PRO 26 2HB PRO 26 -12.390 10.195 -5.680 158 2HB PRO 26 1HB PRO 26 -12.045 8.458 -5.783 159 1HG PRO 26 2HG PRO 26 -14.654 9.863 -5.657 160 2HG PRO 26 1HG PRO 26 -14.198 8.400 -6.543 161 1HD PRO 26 2HD PRO 26 -15.614 8.413 -4.181 162 2HD PRO 26 1HD PRO 26 -14.653 7.041 -4.770 163 H VAL 27 H VAL 27 -10.714 10.738 -3.181 164 HA VAL 27 HA VAL 27 -12.586 12.826 -2.123 165 HB VAL 27 HB VAL 27 -9.790 11.932 -1.363 166 1HG1 VAL 27 1HG1 VAL 27 -9.391 14.032 -0.665 167 2HG1 VAL 27 2HG1 VAL 27 -10.744 13.871 0.458 168 3HG1 VAL 27 3HG1 VAL 27 -11.006 14.539 -1.155 169 1HG2 VAL 27 1HG2 VAL 27 -12.301 11.074 -0.542 170 2HG2 VAL 27 2HG2 VAL 27 -11.849 12.242 0.703 171 3HG2 VAL 27 3HG2 VAL 27 -10.801 10.866 0.363 172 H ASN 28 H ASN 28 -12.625 14.566 -3.516 173 HA ASN 28 HA ASN 28 -11.867 16.140 -5.119 174 1HB ASN 28 2HB ASN 28 -9.256 15.344 -3.779 175 2HB ASN 28 1HB ASN 28 -9.482 16.784 -4.775 176 1HD2 ASN 28 1HD2 ASN 28 -9.521 15.675 -1.613 177 2HD2 ASN 28 2HD2 ASN 28 -10.447 16.912 -0.906 178 H GLY 29 H GLY 29 -11.742 13.044 -5.505 179 1HA GLY 29 2HA GLY 29 -11.464 11.855 -7.553 180 2HA GLY 29 1HA GLY 29 -10.444 13.167 -8.147 181 H PHE 30 H PHE 30 -9.981 11.596 -4.993 182 HA PHE 30 HA PHE 30 -7.544 10.255 -6.113 183 1HB PHE 30 2HB PHE 30 -7.782 12.103 -3.728 184 2HB PHE 30 1HB PHE 30 -6.344 11.138 -4.080 185 HD1 PHE 30 HD1 PHE 30 -7.765 14.291 -4.511 186 HD2 PHE 30 HD2 PHE 30 -5.640 11.259 -6.682 187 HE1 PHE 30 HE1 PHE 30 -7.024 15.991 -6.149 188 HE2 PHE 30 HE2 PHE 30 -4.891 12.963 -8.327 189 HZ PHE 30 HZ PHE 30 -5.582 15.332 -8.060 190 H LEU 31 H LEU 31 -7.144 8.263 -5.277 191 HA LEU 31 HA LEU 31 -8.863 7.323 -2.999 192 1HB LEU 31 2HB LEU 31 -7.573 5.996 -5.384 193 2HB LEU 31 1HB LEU 31 -8.017 5.043 -3.970 194 HG LEU 31 HG LEU 31 -9.832 6.617 -5.788 195 1HD1 LEU 31 1HD1 LEU 31 -9.218 3.791 -5.114 196 2HD1 LEU 31 2HD1 LEU 31 -9.730 4.495 -6.652 197 3HD1 LEU 31 3HD1 LEU 31 -10.920 4.176 -5.388 198 1HD2 LEU 31 1HD2 LEU 31 -11.644 5.847 -4.169 199 2HD2 LEU 31 2HD2 LEU 31 -10.615 7.148 -3.570 200 3HD2 LEU 31 3HD2 LEU 31 -10.353 5.494 -3.020 201 H SER 32 H SER 32 -7.780 6.593 -1.165 202 HA SER 32 HA SER 32 -4.889 7.121 -1.058 203 1HB SER 32 2HB SER 32 -5.214 7.014 1.285 204 2HB SER 32 1HB SER 32 -6.737 7.666 0.686 205 HG SER 32 HG SER 32 -7.135 5.958 2.102 206 H GLY 33 H GLY 33 -3.287 5.556 -0.762 207 1HA GLY 33 2HA GLY 33 -3.538 3.033 -1.913 208 2HA GLY 33 1HA GLY 33 -2.377 3.377 -0.631 209 H ASP 34 H ASP 34 -4.661 4.106 1.184 210 HA ASP 34 HA ASP 34 -5.042 1.513 2.398 211 1HB ASP 34 2HB ASP 34 -5.946 4.335 2.830 212 2HB ASP 34 1HB ASP 34 -6.736 3.041 3.729 213 H LYS 35 H LYS 35 -6.791 3.294 -0.044 214 HA LYS 35 HA LYS 35 -9.245 1.662 0.361 215 1HB LYS 35 2HB LYS 35 -8.502 3.952 -1.500 216 2HB LYS 35 1HB LYS 35 -10.107 3.235 -1.380 217 1HG LYS 35 2HG LYS 35 -9.644 3.762 1.234 218 2HG LYS 35 1HG LYS 35 -8.709 5.061 0.492 219 1HD LYS 35 2HD LYS 35 -11.008 5.127 -0.997 220 2HD LYS 35 1HD LYS 35 -11.629 4.669 0.589 221 1HE LYS 35 2HE LYS 35 -11.504 6.865 1.153 222 2HE LYS 35 1HE LYS 35 -9.737 6.695 1.102 223 1HZ LYS 35 1HZ LYS 35 -9.621 7.460 -1.031 224 2HZ LYS 35 2HZ LYS 35 -10.968 8.350 -0.502 225 3HZ LYS 35 3HZ LYS 35 -11.187 6.945 -1.432 226 H VAL 36 H VAL 36 -6.556 2.290 -1.817 227 HA VAL 36 HA VAL 36 -7.447 0.451 -3.910 228 HB VAL 36 HB VAL 36 -4.793 1.728 -3.213 229 1HG1 VAL 36 1HG1 VAL 36 -5.337 -0.361 -5.001 230 2HG1 VAL 36 2HG1 VAL 36 -3.878 0.628 -4.942 231 3HG1 VAL 36 3HG1 VAL 36 -5.211 1.086 -6.004 232 1HG2 VAL 36 1HG2 VAL 36 -5.443 3.553 -4.456 233 2HG2 VAL 36 2HG2 VAL 36 -7.033 3.039 -3.890 234 3HG2 VAL 36 3HG2 VAL 36 -6.486 2.595 -5.508 235 H LYS 37 H LYS 37 -5.074 0.362 -1.259 236 HA LYS 37 HA LYS 37 -3.729 -1.985 -1.653 237 1HB LYS 37 2HB LYS 37 -3.254 -0.741 0.284 238 2HB LYS 37 1HB LYS 37 -4.942 -0.703 0.786 239 1HG LYS 37 2HG LYS 37 -4.737 -2.638 1.931 240 2HG LYS 37 1HG LYS 37 -3.934 -3.433 0.577 241 1HD LYS 37 2HD LYS 37 -1.978 -3.282 1.673 242 2HD LYS 37 1HD LYS 37 -2.108 -1.523 1.625 243 1HE LYS 37 2HE LYS 37 -3.646 -3.073 3.704 244 2HE LYS 37 1HE LYS 37 -1.933 -2.686 3.966 245 1HZ LYS 37 1HZ LYS 37 -2.325 -0.432 3.852 246 2HZ LYS 37 2HZ LYS 37 -3.734 -0.964 4.640 247 3HZ LYS 37 3HZ LYS 37 -3.769 -0.606 2.979 248 HA PRO 38 HA PRO 38 -7.326 -4.648 0.095 249 1HB PRO 38 2HB PRO 38 -9.792 -3.454 0.224 250 2HB PRO 38 1HB PRO 38 -8.654 -3.482 1.586 251 1HG PRO 38 2HG PRO 38 -9.224 -1.306 -0.368 252 2HG PRO 38 1HG PRO 38 -8.932 -1.209 1.378 253 1HD PRO 38 2HD PRO 38 -7.039 -0.597 -0.452 254 2HD PRO 38 1HD PRO 38 -6.650 -1.293 1.138 255 H VAL 39 H VAL 39 -8.037 -2.179 -2.305 256 HA VAL 39 HA VAL 39 -9.879 -3.678 -3.926 257 HB VAL 39 HB VAL 39 -8.069 -1.296 -4.169 258 1HG1 VAL 39 1HG1 VAL 39 -9.523 -1.315 -6.543 259 2HG1 VAL 39 2HG1 VAL 39 -8.912 -2.960 -6.415 260 3HG1 VAL 39 3HG1 VAL 39 -7.790 -1.597 -6.386 261 1HG2 VAL 39 1HG2 VAL 39 -10.469 -0.460 -4.967 262 2HG2 VAL 39 2HG2 VAL 39 -10.089 -0.653 -3.256 263 3HG2 VAL 39 3HG2 VAL 39 -10.992 -1.907 -4.106 264 H LEU 40 H LEU 40 -6.349 -3.371 -3.864 265 HA LEU 40 HA LEU 40 -5.961 -5.058 -6.232 266 1HB LEU 40 2HB LEU 40 -4.032 -4.054 -4.111 267 2HB LEU 40 1HB LEU 40 -3.619 -4.588 -5.744 268 HG LEU 40 HG LEU 40 -5.549 -2.323 -5.228 269 1HD1 LEU 40 1HD1 LEU 40 -2.562 -2.352 -5.317 270 2HD1 LEU 40 2HD1 LEU 40 -3.653 -1.342 -4.368 271 3HD1 LEU 40 3HD1 LEU 40 -3.411 -1.006 -6.080 272 1HD2 LEU 40 1HD2 LEU 40 -3.844 -2.921 -7.634 273 2HD2 LEU 40 2HD2 LEU 40 -5.259 -1.868 -7.532 274 3HD2 LEU 40 3HD2 LEU 40 -5.450 -3.619 -7.419 275 H LEU 41 H LEU 41 -6.138 -5.437 -2.772 276 HA LEU 41 HA LEU 41 -4.789 -7.993 -2.626 277 1HB LEU 41 2HB LEU 41 -6.628 -6.345 -0.903 278 2HB LEU 41 1HB LEU 41 -6.151 -7.968 -0.408 279 HG LEU 41 HG LEU 41 -4.128 -5.885 -1.228 280 1HD1 LEU 41 1HD1 LEU 41 -3.789 -5.545 1.235 281 2HD1 LEU 41 2HD1 LEU 41 -5.250 -6.489 1.524 282 3HD1 LEU 41 3HD1 LEU 41 -5.349 -4.955 0.659 283 1HD2 LEU 41 1HD2 LEU 41 -2.644 -7.536 -0.818 284 2HD2 LEU 41 2HD2 LEU 41 -4.011 -8.643 -0.677 285 3HD2 LEU 41 3HD2 LEU 41 -3.361 -7.854 0.762 286 H ASN 42 H ASN 42 -7.788 -6.948 -3.850 287 HA ASN 42 HA ASN 42 -9.226 -9.453 -3.277 288 1HB ASN 42 2HB ASN 42 -9.770 -6.757 -4.436 289 2HB ASN 42 1HB ASN 42 -10.836 -8.073 -4.926 290 1HD2 ASN 42 1HD2 ASN 42 -11.504 -5.757 -3.157 291 2HD2 ASN 42 2HD2 ASN 42 -12.004 -6.432 -1.682 292 H SER 43 H SER 43 -7.003 -8.370 -5.576 293 HA SER 43 HA SER 43 -8.102 -9.667 -7.951 294 1HB SER 43 2HB SER 43 -5.198 -9.098 -7.651 295 2HB SER 43 1HB SER 43 -6.293 -8.672 -8.961 296 HG SER 43 HG SER 43 -5.467 -6.977 -7.379 297 H LYS 44 H LYS 44 -7.115 -11.044 -5.159 298 HA LYS 44 HA LYS 44 -6.410 -13.240 -4.638 299 1HB LYS 44 2HB LYS 44 -7.738 -13.358 -7.033 300 2HB LYS 44 1HB LYS 44 -6.160 -14.002 -7.489 301 1HG LYS 44 2HG LYS 44 -6.400 -15.451 -5.330 302 2HG LYS 44 1HG LYS 44 -8.116 -15.065 -5.464 303 1HD LYS 44 2HD LYS 44 -7.066 -15.826 -8.047 304 2HD LYS 44 1HD LYS 44 -6.716 -17.080 -6.856 305 1HE LYS 44 2HE LYS 44 -9.350 -16.326 -6.280 306 2HE LYS 44 1HE LYS 44 -9.276 -16.364 -8.053 307 1HZ LYS 44 1HZ LYS 44 -8.285 -18.497 -6.235 308 2HZ LYS 44 2HZ LYS 44 -8.193 -18.520 -7.931 309 3HZ LYS 44 3HZ LYS 44 -9.706 -18.574 -7.160 310 H LEU 45 H LEU 45 -4.640 -10.905 -5.937 311 HA LEU 45 HA LEU 45 -2.216 -12.512 -6.587 312 1HB LEU 45 2HB LEU 45 -3.190 -9.694 -6.960 313 2HB LEU 45 1HB LEU 45 -1.457 -10.014 -7.018 314 HG LEU 45 HG LEU 45 -3.544 -11.422 -8.706 315 1HD1 LEU 45 1HD1 LEU 45 -1.405 -9.577 -9.736 316 2HD1 LEU 45 2HD1 LEU 45 -2.913 -8.902 -9.127 317 3HD1 LEU 45 3HD1 LEU 45 -2.935 -10.026 -10.485 318 1HD2 LEU 45 1HD2 LEU 45 -1.012 -12.283 -7.937 319 2HD2 LEU 45 2HD2 LEU 45 -0.726 -11.535 -9.506 320 3HD2 LEU 45 3HD2 LEU 45 -1.899 -12.841 -9.356 321 HA PRO 46 HA PRO 46 -0.449 -11.651 -2.668 322 1HB PRO 46 2HB PRO 46 2.206 -11.678 -3.327 323 2HB PRO 46 1HB PRO 46 1.218 -13.149 -3.261 324 1HG PRO 46 2HG PRO 46 2.127 -11.588 -5.608 325 2HG PRO 46 1HG PRO 46 1.908 -13.333 -5.426 326 1HD PRO 46 2HD PRO 46 0.138 -11.656 -6.701 327 2HD PRO 46 1HD PRO 46 -0.284 -13.242 -6.021 328 H VAL 47 H VAL 47 1.178 -9.993 -1.652 329 HA VAL 47 HA VAL 47 0.520 -7.340 -2.604 330 HB VAL 47 HB VAL 47 1.992 -8.653 -0.378 331 1HG1 VAL 47 1HG1 VAL 47 3.069 -6.560 0.345 332 2HG1 VAL 47 2HG1 VAL 47 2.532 -5.769 -1.139 333 3HG1 VAL 47 3HG1 VAL 47 3.707 -7.080 -1.214 334 1HG2 VAL 47 1HG2 VAL 47 0.129 -6.270 -0.588 335 2HG2 VAL 47 2HG2 VAL 47 0.700 -6.978 0.923 336 3HG2 VAL 47 3HG2 VAL 47 -0.336 -7.915 -0.154 337 H ASP 48 H ASP 48 2.752 -9.621 -3.658 338 HA ASP 48 HA ASP 48 4.998 -7.877 -4.228 339 1HB ASP 48 2HB ASP 48 4.117 -10.576 -5.317 340 2HB ASP 48 1HB ASP 48 5.714 -9.867 -5.561 341 H ILE 49 H ILE 49 2.027 -8.839 -5.792 342 HA ILE 49 HA ILE 49 2.778 -7.616 -8.364 343 HB ILE 49 HB ILE 49 0.039 -8.540 -7.482 344 1HG1 ILE 49 2HG1 ILE 49 1.504 -10.339 -6.812 345 2HG1 ILE 49 1HG1 ILE 49 0.738 -10.816 -8.328 346 1HG2 ILE 49 1HG2 ILE 49 1.368 -7.788 -9.953 347 2HG2 ILE 49 2HG2 ILE 49 -0.351 -8.016 -9.634 348 3HG2 ILE 49 3HG2 ILE 49 0.656 -9.397 -10.070 349 1HD1 ILE 49 1HD1 ILE 49 2.778 -9.885 -9.519 350 2HD1 ILE 49 2HD1 ILE 49 3.063 -11.333 -8.552 351 3HD1 ILE 49 3HD1 ILE 49 3.539 -9.751 -7.933 352 H LEU 50 H LEU 50 0.723 -7.022 -5.572 353 HA LEU 50 HA LEU 50 -0.403 -4.531 -6.617 354 1HB LEU 50 2HB LEU 50 -0.281 -5.471 -3.753 355 2HB LEU 50 1HB LEU 50 -1.535 -4.510 -4.531 356 HG LEU 50 HG LEU 50 -0.929 -7.438 -5.014 357 1HD1 LEU 50 1HD1 LEU 50 -3.307 -5.960 -3.860 358 2HD1 LEU 50 2HD1 LEU 50 -2.221 -7.049 -2.999 359 3HD1 LEU 50 3HD1 LEU 50 -3.298 -7.681 -4.244 360 1HD2 LEU 50 1HD2 LEU 50 -2.023 -5.471 -6.784 361 2HD2 LEU 50 2HD2 LEU 50 -3.326 -6.555 -6.293 362 3HD2 LEU 50 3HD2 LEU 50 -1.870 -7.208 -7.047 363 H GLY 51 H GLY 51 2.317 -5.569 -4.667 364 1HA GLY 51 2HA GLY 51 2.940 -2.927 -3.614 365 2HA GLY 51 1HA GLY 51 4.033 -4.318 -3.619 366 H ARG 52 H ARG 52 3.467 -4.697 -6.514 367 HA ARG 52 HA ARG 52 5.418 -2.708 -7.549 368 1HB ARG 52 2HB ARG 52 5.401 -5.394 -7.581 369 2HB ARG 52 1HB ARG 52 4.487 -5.098 -9.058 370 1HG ARG 52 2HG ARG 52 6.433 -3.391 -9.559 371 2HG ARG 52 1HG ARG 52 7.329 -4.398 -8.418 372 1HD ARG 52 2HD ARG 52 5.757 -5.740 -10.593 373 2HD ARG 52 1HD ARG 52 7.336 -5.038 -10.981 374 HE ARG 52 HE ARG 52 6.856 -7.265 -9.090 375 1HH1 ARG 52 1HH2 ARG 52 8.898 -7.059 -11.399 376 2HH1 ARG 52 2HH2 ARG 52 10.374 -6.925 -10.501 377 1HH2 ARG 52 2HH1 ARG 52 8.790 -6.173 -7.509 378 2HH2 ARG 52 1HH1 ARG 52 10.312 -6.425 -8.298 379 H VAL 53 H VAL 53 2.152 -4.033 -8.086 380 HA VAL 53 HA VAL 53 1.734 -2.622 -10.591 381 HB VAL 53 HB VAL 53 0.021 -4.005 -8.528 382 1HG1 VAL 53 1HG1 VAL 53 -1.595 -3.497 -10.763 383 2HG1 VAL 53 2HG1 VAL 53 -0.828 -1.951 -10.404 384 3HG1 VAL 53 3HG1 VAL 53 -1.766 -2.779 -9.162 385 1HG2 VAL 53 1HG2 VAL 53 -0.090 -5.700 -10.113 386 2HG2 VAL 53 2HG2 VAL 53 1.493 -5.025 -10.504 387 3HG2 VAL 53 3HG2 VAL 53 0.081 -4.583 -11.471 388 H TRP 54 H TRP 54 1.118 -1.912 -7.168 389 HA TRP 54 HA TRP 54 -0.365 0.507 -7.588 390 1HB TRP 54 2HB TRP 54 -0.425 -0.352 -5.393 391 2HB TRP 54 1HB TRP 54 1.313 -0.670 -5.371 392 HD1 TRP 54 HD1 TRP 54 2.940 1.504 -5.247 393 HE1 TRP 54 HE1 TRP 54 2.569 3.807 -4.185 394 HE3 TRP 54 HE3 TRP 54 -2.141 1.417 -4.706 395 HZ2 TRP 54 HZ2 TRP 54 0.410 5.406 -3.197 396 HZ3 TRP 54 HZ3 TRP 54 -3.330 3.345 -3.686 397 HH2 TRP 54 HH2 TRP 54 -2.056 5.336 -2.934 398 H GLU 55 H GLU 55 3.134 -0.053 -6.961 399 HA GLU 55 HA GLU 55 4.019 2.599 -7.062 400 1HB GLU 55 2HB GLU 55 5.190 -0.018 -7.986 401 2HB GLU 55 1HB GLU 55 6.122 1.479 -8.010 402 1HG GLU 55 2HG GLU 55 4.968 1.487 -5.488 403 2HG GLU 55 1HG GLU 55 5.387 -0.206 -5.740 404 H LEU 56 H LEU 56 3.824 0.375 -9.865 405 HA LEU 56 HA LEU 56 4.412 2.353 -11.853 406 1HB LEU 56 2HB LEU 56 2.681 -0.139 -12.043 407 2HB LEU 56 1HB LEU 56 3.514 0.657 -13.378 408 HG LEU 56 HG LEU 56 5.251 -0.054 -11.097 409 1HD1 LEU 56 1HD1 LEU 56 4.459 -2.318 -12.898 410 2HD1 LEU 56 2HD1 LEU 56 3.465 -1.965 -11.485 411 3HD1 LEU 56 3HD1 LEU 56 5.170 -2.369 -11.284 412 1HD2 LEU 56 1HD2 LEU 56 6.309 -1.136 -13.384 413 2HD2 LEU 56 2HD2 LEU 56 6.570 0.533 -12.873 414 3HD2 LEU 56 3HD2 LEU 56 5.310 0.155 -14.046 415 H SER 57 H SER 57 1.659 1.833 -9.879 416 HA SER 57 HA SER 57 -0.218 3.248 -11.699 417 1HB SER 57 2HB SER 57 -1.221 1.424 -10.618 418 2HB SER 57 1HB SER 57 -0.339 1.706 -9.120 419 HG SER 57 HG SER 57 -2.214 3.555 -10.155 420 H ASP 58 H ASP 58 1.336 3.602 -8.523 421 HA ASP 58 HA ASP 58 0.184 6.198 -7.939 422 1HB ASP 58 2HB ASP 58 1.161 4.266 -6.438 423 2HB ASP 58 1HB ASP 58 2.694 5.094 -6.713 424 H ILE 59 H ILE 59 0.740 7.618 -9.653 425 HA ILE 59 HA ILE 59 3.608 7.983 -10.304 426 HB ILE 59 HB ILE 59 0.961 8.975 -11.384 427 1HG1 ILE 59 2HG1 ILE 59 2.918 7.767 -13.187 428 2HG1 ILE 59 1HG1 ILE 59 2.520 6.709 -11.834 429 1HG2 ILE 59 1HG2 ILE 59 1.959 10.741 -12.366 430 2HG2 ILE 59 2HG2 ILE 59 3.165 9.676 -13.085 431 3HG2 ILE 59 3HG2 ILE 59 3.445 10.371 -11.491 432 1HD1 ILE 59 1HD1 ILE 59 0.710 6.127 -13.062 433 2HD1 ILE 59 2HD1 ILE 59 0.856 7.537 -14.111 434 3HD1 ILE 59 3HD1 ILE 59 0.046 7.680 -12.551 435 H ASP 60 H ASP 60 1.166 9.285 -8.256 436 HA ASP 60 HA ASP 60 2.467 11.935 -8.000 437 1HB ASP 60 2HB ASP 60 0.241 10.801 -6.299 438 2HB ASP 60 1HB ASP 60 0.546 12.486 -6.721 439 H HIS 61 H HIS 61 2.936 8.838 -6.791 440 HA HIS 61 HA HIS 61 3.948 7.963 -4.845 441 1HB HIS 61 2HB HIS 61 6.103 9.040 -4.485 442 2HB HIS 61 1HB HIS 61 5.732 9.073 -6.207 443 HD1 HIS 61 HD1 HIS 61 5.783 11.316 -3.156 444 HD2 HIS 61 HD2 HIS 61 5.436 11.645 -7.298 445 HE1 HIS 61 HE1 HIS 61 5.927 13.787 -3.694 446 H ASP 62 H ASP 62 1.613 9.261 -4.082 447 HA ASP 62 HA ASP 62 2.452 10.568 -1.517 448 1HB ASP 62 2HB ASP 62 0.312 11.904 -1.828 449 2HB ASP 62 1HB ASP 62 1.569 12.251 -3.015 450 H GLY 63 H GLY 63 1.695 7.727 -2.332 451 1HA GLY 63 2HA GLY 63 0.403 5.977 -1.445 452 2HA GLY 63 1HA GLY 63 0.112 7.039 -0.065 453 H MET 64 H MET 64 -0.752 7.574 -3.481 454 HA MET 64 HA MET 64 -3.642 7.276 -2.776 455 1HB MET 64 2HB MET 64 -2.115 9.761 -3.378 456 2HB MET 64 1HB MET 64 -3.755 9.640 -4.007 457 1HG MET 64 2HG MET 64 -3.177 9.016 -1.124 458 2HG MET 64 1HG MET 64 -3.401 10.682 -1.656 459 1HE MET 64 1HE MET 64 -6.477 10.242 0.131 460 2HE MET 64 2HE MET 64 -6.294 11.511 -1.076 461 3HE MET 64 3HE MET 64 -4.899 10.996 -0.132 462 H LEU 65 H LEU 65 -5.035 7.344 -4.696 463 HA LEU 65 HA LEU 65 -3.633 7.005 -7.319 464 1HB LEU 65 2HB LEU 65 -5.582 5.173 -5.902 465 2HB LEU 65 1HB LEU 65 -5.303 5.071 -7.640 466 HG LEU 65 HG LEU 65 -3.174 4.818 -5.495 467 1HD1 LEU 65 1HD1 LEU 65 -3.844 2.668 -5.416 468 2HD1 LEU 65 2HD1 LEU 65 -3.319 2.507 -7.091 469 3HD1 LEU 65 3HD1 LEU 65 -4.995 2.921 -6.728 470 1HD2 LEU 65 1HD2 LEU 65 -3.105 4.762 -8.520 471 2HD2 LEU 65 2HD2 LEU 65 -1.824 4.049 -7.540 472 3HD2 LEU 65 3HD2 LEU 65 -2.159 5.776 -7.431 473 H ASP 66 H ASP 66 -4.518 8.808 -8.385 474 HA ASP 66 HA ASP 66 -7.239 9.713 -7.875 475 1HB ASP 66 2HB ASP 66 -6.673 11.420 -9.480 476 2HB ASP 66 1HB ASP 66 -5.222 11.107 -8.528 477 H ARG 67 H ARG 67 -8.892 9.849 -9.594 478 HA ARG 67 HA ARG 67 -9.892 7.559 -10.633 479 1HB ARG 67 2HB ARG 67 -10.630 9.114 -12.630 480 2HB ARG 67 1HB ARG 67 -11.169 9.477 -10.991 481 1HG ARG 67 2HG ARG 67 -10.063 11.441 -10.984 482 2HG ARG 67 1HG ARG 67 -8.571 10.673 -11.521 483 1HD ARG 67 2HD ARG 67 -8.869 11.456 -13.625 484 2HD ARG 67 1HD ARG 67 -10.505 10.765 -13.690 485 HE ARG 67 HE ARG 67 -11.135 12.831 -12.233 486 1HH1 ARG 67 1HH2 ARG 67 -9.899 12.812 -15.301 487 2HH1 ARG 67 2HH2 ARG 67 -9.380 14.464 -15.316 488 1HH2 ARG 67 2HH1 ARG 67 -9.908 14.942 -11.924 489 2HH2 ARG 67 1HH1 ARG 67 -9.384 15.669 -13.406 490 H ASP 68 H ASP 68 -7.461 9.501 -12.397 491 HA ASP 68 HA ASP 68 -7.273 7.560 -14.568 492 1HB ASP 68 2HB ASP 68 -6.585 10.228 -14.047 493 2HB ASP 68 1HB ASP 68 -5.040 9.403 -14.255 494 H GLU 69 H GLU 69 -5.382 8.347 -11.678 495 HA GLU 69 HA GLU 69 -3.153 6.609 -12.213 496 1HB GLU 69 2HB GLU 69 -3.594 8.571 -10.511 497 2HB GLU 69 1HB GLU 69 -4.192 7.280 -9.467 498 1HG GLU 69 2HG GLU 69 -2.096 6.160 -9.484 499 2HG GLU 69 1HG GLU 69 -1.503 7.132 -10.830 500 H PHE 70 H PHE 70 -6.151 6.202 -10.344 501 HA PHE 70 HA PHE 70 -5.707 3.563 -9.367 502 1HB PHE 70 2HB PHE 70 -7.468 5.338 -8.790 503 2HB PHE 70 1HB PHE 70 -8.331 4.814 -10.234 504 HD1 PHE 70 HD1 PHE 70 -7.221 3.850 -6.853 505 HD2 PHE 70 HD2 PHE 70 -9.410 2.641 -10.345 506 HE1 PHE 70 HE1 PHE 70 -8.246 1.993 -5.568 507 HE2 PHE 70 HE2 PHE 70 -10.430 0.784 -9.062 508 HZ PHE 70 HZ PHE 70 -9.850 0.466 -6.673 509 H ALA 71 H ALA 71 -6.528 4.768 -12.530 510 HA ALA 71 HA ALA 71 -7.685 2.303 -13.567 511 1HB ALA 71 1HB ALA 71 -6.469 4.798 -14.795 512 2HB ALA 71 2HB ALA 71 -8.187 4.458 -14.562 513 3HB ALA 71 3HB ALA 71 -7.257 3.537 -15.744 514 H VAL 72 H VAL 72 -4.487 3.796 -13.551 515 HA VAL 72 HA VAL 72 -3.179 1.932 -15.300 516 HB VAL 72 HB VAL 72 -2.096 3.594 -12.999 517 1HG1 VAL 72 1HG1 VAL 72 -0.864 2.326 -15.447 518 2HG1 VAL 72 2HG1 VAL 72 -0.357 2.183 -13.765 519 3HG1 VAL 72 3HG1 VAL 72 -0.101 3.695 -14.635 520 1HG2 VAL 72 1HG2 VAL 72 -3.462 4.995 -14.474 521 2HG2 VAL 72 2HG2 VAL 72 -2.659 4.329 -15.893 522 3HG2 VAL 72 3HG2 VAL 72 -1.755 5.340 -14.765 523 H ALA 73 H ALA 73 -4.029 1.874 -11.902 524 HA ALA 73 HA ALA 73 -2.297 -0.459 -11.329 525 1HB ALA 73 1HB ALA 73 -2.408 0.542 -9.314 526 2HB ALA 73 2HB ALA 73 -4.137 0.190 -9.244 527 3HB ALA 73 3HB ALA 73 -3.572 1.705 -9.951 528 H MET 74 H MET 74 -5.393 0.032 -12.641 529 HA MET 74 HA MET 74 -6.611 -2.378 -11.436 530 1HB MET 74 2HB MET 74 -7.469 -0.427 -13.600 531 2HB MET 74 1HB MET 74 -8.494 -1.708 -12.954 532 1HG MET 74 2HG MET 74 -7.240 0.008 -10.909 533 2HG MET 74 1HG MET 74 -8.403 0.832 -11.950 534 1HE MET 74 1HE MET 74 -7.627 -1.178 -9.123 535 2HE MET 74 2HE MET 74 -7.979 -2.669 -9.994 536 3HE MET 74 3HE MET 74 -9.024 -2.163 -8.668 537 H PHE 75 H PHE 75 -5.544 -1.317 -14.675 538 HA PHE 75 HA PHE 75 -5.996 -3.962 -15.813 539 1HB PHE 75 2HB PHE 75 -5.416 -2.916 -17.819 540 2HB PHE 75 1HB PHE 75 -5.959 -1.535 -16.870 541 HD1 PHE 75 HD1 PHE 75 -3.373 -2.767 -18.897 542 HD2 PHE 75 HD2 PHE 75 -4.040 -0.435 -15.354 543 HE1 PHE 75 HE1 PHE 75 -1.145 -1.720 -19.168 544 HE2 PHE 75 HE2 PHE 75 -1.812 0.615 -15.631 545 HZ PHE 75 HZ PHE 75 -0.363 -0.033 -17.534 546 H LEU 76 H LEU 76 -3.504 -2.375 -14.041 547 HA LEU 76 HA LEU 76 -1.278 -4.045 -14.909 548 1HB LEU 76 2HB LEU 76 -1.887 -1.899 -12.988 549 2HB LEU 76 1HB LEU 76 -0.707 -3.063 -12.383 550 HG LEU 76 HG LEU 76 -0.550 -1.541 -15.001 551 1HD1 LEU 76 1HD1 LEU 76 1.425 -1.475 -12.726 552 2HD1 LEU 76 2HD1 LEU 76 0.012 -0.421 -12.722 553 3HD1 LEU 76 3HD1 LEU 76 1.196 -0.303 -14.023 554 1HD2 LEU 76 1HD2 LEU 76 1.858 -2.930 -14.227 555 2HD2 LEU 76 2HD2 LEU 76 0.924 -3.090 -15.714 556 3HD2 LEU 76 3HD2 LEU 76 0.517 -4.074 -14.308 557 H VAL 77 H VAL 77 -3.900 -4.239 -12.644 558 HA VAL 77 HA VAL 77 -2.783 -6.571 -11.194 559 HB VAL 77 HB VAL 77 -5.279 -4.837 -11.069 560 1HG1 VAL 77 1HG1 VAL 77 -4.613 -7.323 -9.448 561 2HG1 VAL 77 2HG1 VAL 77 -6.000 -7.102 -10.513 562 3HG1 VAL 77 3HG1 VAL 77 -5.875 -6.167 -9.022 563 1HG2 VAL 77 1HG2 VAL 77 -3.303 -3.836 -10.091 564 2HG2 VAL 77 2HG2 VAL 77 -2.913 -5.328 -9.232 565 3HG2 VAL 77 3HG2 VAL 77 -4.333 -4.394 -8.773 566 H TYR 78 H TYR 78 -5.821 -5.823 -12.928 567 HA TYR 78 HA TYR 78 -6.876 -8.348 -13.280 568 1HB TYR 78 2HB TYR 78 -6.855 -5.779 -14.750 569 2HB TYR 78 1HB TYR 78 -7.427 -7.171 -15.669 570 HD1 TYR 78 HD1 TYR 78 -8.771 -4.569 -14.140 571 HD2 TYR 78 HD2 TYR 78 -8.698 -8.833 -13.622 572 HE1 TYR 78 HE1 TYR 78 -10.939 -4.457 -12.943 573 HE2 TYR 78 HE2 TYR 78 -10.870 -8.722 -12.425 574 HH TYR 78 HH TYR 78 -12.456 -5.593 -11.783 575 H CYS 79 H CYS 79 -4.013 -7.060 -14.845 576 HA CYS 79 HA CYS 79 -3.965 -9.111 -16.944 577 1HB CYS 79 2HB CYS 79 -2.251 -6.837 -15.983 578 2HB CYS 79 1HB CYS 79 -1.560 -8.023 -17.089 579 HG CYS 79 HG CYS 79 -3.798 -6.009 -17.788 580 H ALA 80 H ALA 80 -2.902 -8.815 -13.656 581 HA ALA 80 HA ALA 80 -0.826 -10.885 -13.905 582 1HB ALA 80 1HB ALA 80 -1.061 -10.519 -11.286 583 2HB ALA 80 2HB ALA 80 -1.966 -9.092 -11.793 584 3HB ALA 80 3HB ALA 80 -0.286 -9.298 -12.294 585 H LEU 81 H LEU 81 -4.204 -10.761 -13.516 586 HA LEU 81 HA LEU 81 -4.391 -13.291 -12.000 587 1HB LEU 81 2HB LEU 81 -6.376 -11.338 -13.191 588 2HB LEU 81 1HB LEU 81 -6.864 -12.817 -12.360 589 HG LEU 81 HG LEU 81 -5.277 -11.945 -10.465 590 1HD1 LEU 81 1HD1 LEU 81 -5.930 -9.436 -12.022 591 2HD1 LEU 81 2HD1 LEU 81 -4.328 -10.101 -11.711 592 3HD1 LEU 81 3HD1 LEU 81 -5.284 -9.451 -10.381 593 1HD2 LEU 81 1HD2 LEU 81 -7.205 -10.631 -9.527 594 2HD2 LEU 81 2HD2 LEU 81 -7.675 -12.206 -10.167 595 3HD2 LEU 81 3HD2 LEU 81 -7.988 -10.744 -11.104 596 H GLU 82 H GLU 82 -5.017 -11.978 -15.221 597 HA GLU 82 HA GLU 82 -6.036 -14.416 -16.377 598 1HB GLU 82 2HB GLU 82 -4.911 -11.799 -17.354 599 2HB GLU 82 1HB GLU 82 -5.302 -13.077 -18.503 600 1HG GLU 82 2HG GLU 82 -7.256 -12.023 -16.442 601 2HG GLU 82 1HG GLU 82 -7.181 -11.439 -18.105 602 H LYS 83 H LYS 83 -2.860 -12.789 -16.679 603 HA LYS 83 HA LYS 83 -1.324 -15.182 -16.399 604 1HB LYS 83 2HB LYS 83 -2.405 -15.965 -18.374 605 2HB LYS 83 1HB LYS 83 -2.195 -14.415 -19.190 606 1HG LYS 83 2HG LYS 83 0.275 -14.754 -19.114 607 2HG LYS 83 1HG LYS 83 0.007 -16.345 -18.403 608 1HD LYS 83 2HD LYS 83 -1.515 -15.785 -20.884 609 2HD LYS 83 1HD LYS 83 0.234 -15.925 -21.077 610 1HE LYS 83 2HE LYS 83 -0.012 -18.178 -21.024 611 2HE LYS 83 1HE LYS 83 -0.540 -18.030 -19.336 612 1HZ LYS 83 1HZ LYS 83 -2.445 -17.317 -21.439 613 2HZ LYS 83 2HZ LYS 83 -2.727 -18.006 -19.911 614 3HZ LYS 83 3HZ LYS 83 -2.145 -18.966 -21.185 615 H GLU 84 H GLU 84 -1.559 -11.901 -17.623 616 HA GLU 84 HA GLU 84 1.322 -11.647 -18.118 617 1HB GLU 84 2HB GLU 84 -1.157 -10.182 -18.543 618 2HB GLU 84 1HB GLU 84 0.137 -9.117 -17.991 619 1HG GLU 84 2HG GLU 84 1.191 -10.968 -19.929 620 2HG GLU 84 1HG GLU 84 -0.232 -10.169 -20.598 621 HA PRO 85 HA PRO 85 2.054 -10.797 -13.769 622 1HB PRO 85 2HB PRO 85 4.776 -10.583 -14.019 623 2HB PRO 85 1HB PRO 85 3.931 -12.142 -13.930 624 1HG PRO 85 2HG PRO 85 4.965 -10.685 -16.317 625 2HG PRO 85 1HG PRO 85 5.014 -12.416 -15.945 626 1HD PRO 85 2HD PRO 85 3.217 -11.337 -17.662 627 2HD PRO 85 1HD PRO 85 2.863 -12.770 -16.672 628 H VAL 86 H VAL 86 3.943 -8.992 -12.912 629 HA VAL 86 HA VAL 86 3.462 -6.522 -14.543 630 HB VAL 86 HB VAL 86 3.155 -6.875 -11.548 631 1HG1 VAL 86 1HG1 VAL 86 1.900 -4.529 -12.365 632 2HG1 VAL 86 2HG1 VAL 86 3.402 -4.544 -13.290 633 3HG1 VAL 86 3HG1 VAL 86 3.450 -4.636 -11.529 634 1HG2 VAL 86 1HG2 VAL 86 1.218 -7.855 -12.336 635 2HG2 VAL 86 2HG2 VAL 86 1.262 -6.963 -13.857 636 3HG2 VAL 86 3HG2 VAL 86 0.714 -6.165 -12.383 637 HA PRO 87 HA PRO 87 7.809 -6.149 -13.537 638 1HB PRO 87 2HB PRO 87 8.336 -4.207 -15.385 639 2HB PRO 87 1HB PRO 87 8.167 -5.919 -15.816 640 1HG PRO 87 2HG PRO 87 6.318 -3.679 -16.268 641 2HG PRO 87 1HG PRO 87 6.484 -5.203 -17.145 642 1HD PRO 87 2HD PRO 87 4.516 -4.540 -15.219 643 2HD PRO 87 1HD PRO 87 4.794 -6.124 -15.974 644 H MET 88 H MET 88 9.206 -4.063 -13.001 645 HA MET 88 HA MET 88 7.513 -2.299 -11.298 646 1HB MET 88 2HB MET 88 10.472 -2.054 -11.439 647 2HB MET 88 1HB MET 88 9.417 -2.009 -10.033 648 1HG MET 88 2HG MET 88 9.034 -4.553 -10.585 649 2HG MET 88 1HG MET 88 10.545 -4.394 -11.475 650 1HE MET 88 1HE MET 88 8.735 -3.143 -8.636 651 2HE MET 88 2HE MET 88 9.993 -2.493 -7.586 652 3HE MET 88 3HE MET 88 9.340 -4.100 -7.276 653 H SER 89 H SER 89 8.261 -2.149 -14.427 654 HA SER 89 HA SER 89 9.200 0.682 -14.326 655 1HB SER 89 2HB SER 89 9.129 -1.277 -16.625 656 2HB SER 89 1HB SER 89 9.976 0.264 -16.577 657 HG SER 89 HG SER 89 11.574 -0.810 -15.744 658 H LEU 90 H LEU 90 7.357 1.881 -14.195 659 HA LEU 90 HA LEU 90 4.871 1.251 -15.479 660 1HB LEU 90 2HB LEU 90 4.457 2.850 -13.913 661 2HB LEU 90 1HB LEU 90 6.142 3.358 -13.897 662 HG LEU 90 HG LEU 90 5.753 4.723 -15.894 663 1HD1 LEU 90 1HD1 LEU 90 2.797 4.327 -15.644 664 2HD1 LEU 90 2HD1 LEU 90 3.725 3.096 -16.501 665 3HD1 LEU 90 3HD1 LEU 90 3.749 4.767 -17.063 666 1HD2 LEU 90 1HD2 LEU 90 3.801 6.161 -14.733 667 2HD2 LEU 90 2HD2 LEU 90 5.439 6.105 -14.082 668 3HD2 LEU 90 3HD2 LEU 90 4.179 5.081 -13.392 669 HA PRO 91 HA PRO 91 6.641 1.976 -19.535 670 1HB PRO 91 2HB PRO 91 4.372 1.232 -20.901 671 2HB PRO 91 1HB PRO 91 5.555 0.080 -20.247 672 1HG PRO 91 2HG PRO 91 2.955 0.978 -19.083 673 2HG PRO 91 1HG PRO 91 3.640 -0.653 -19.178 674 1HD PRO 91 2HD PRO 91 3.746 0.777 -16.910 675 2HD PRO 91 1HD PRO 91 5.079 -0.302 -17.392 676 HA PRO 92 HA PRO 92 5.177 6.049 -20.292 677 1HB PRO 92 2HB PRO 92 6.169 6.340 -22.821 678 2HB PRO 92 1HB PRO 92 7.191 6.392 -21.372 679 1HG PRO 92 2HG PRO 92 6.736 4.163 -23.292 680 2HG PRO 92 1HG PRO 92 8.232 4.678 -22.496 681 1HD PRO 92 2HD PRO 92 6.779 2.538 -21.675 682 2HD PRO 92 1HD PRO 92 7.756 3.529 -20.568 683 H ALA 93 H ALA 93 4.038 3.304 -21.845 684 HA ALA 93 HA ALA 93 2.253 4.752 -23.731 685 1HB ALA 93 1HB ALA 93 2.117 1.807 -23.221 686 2HB ALA 93 2HB ALA 93 3.595 2.433 -23.951 687 3HB ALA 93 3HB ALA 93 2.043 2.678 -24.752 688 H LEU 94 H LEU 94 2.350 3.506 -20.565 689 HA LEU 94 HA LEU 94 -0.600 3.258 -20.313 690 1HB LEU 94 2HB LEU 94 0.562 1.449 -19.350 691 2HB LEU 94 1HB LEU 94 1.891 2.469 -18.816 692 HG LEU 94 HG LEU 94 0.319 1.588 -17.006 693 1HD1 LEU 94 1HD1 LEU 94 1.678 4.036 -17.355 694 2HD1 LEU 94 2HD1 LEU 94 1.249 3.253 -15.831 695 3HD1 LEU 94 3HD1 LEU 94 0.149 4.426 -16.560 696 1HD2 LEU 94 1HD2 LEU 94 -1.549 3.738 -17.204 697 2HD2 LEU 94 2HD2 LEU 94 -1.881 2.011 -17.217 698 3HD2 LEU 94 3HD2 LEU 94 -1.574 2.860 -18.729 699 H VAL 95 H VAL 95 1.990 5.459 -19.803 700 HA VAL 95 HA VAL 95 0.789 6.935 -17.582 701 HB VAL 95 HB VAL 95 3.254 6.796 -19.099 702 1HG1 VAL 95 1HG1 VAL 95 3.885 9.128 -19.167 703 2HG1 VAL 95 2HG1 VAL 95 2.357 9.614 -18.434 704 3HG1 VAL 95 3HG1 VAL 95 2.379 8.957 -20.070 705 1HG2 VAL 95 1HG2 VAL 95 2.955 6.491 -16.646 706 2HG2 VAL 95 2HG2 VAL 95 2.570 8.205 -16.505 707 3HG2 VAL 95 3HG2 VAL 95 4.177 7.704 -17.029 708 HA PRO 96 HA PRO 96 -1.943 9.359 -20.057 709 1HB PRO 96 2HB PRO 96 -2.369 11.388 -18.269 710 2HB PRO 96 1HB PRO 96 -3.103 9.781 -18.098 711 1HG PRO 96 2HG PRO 96 -0.727 10.931 -16.722 712 2HG PRO 96 1HG PRO 96 -2.007 9.887 -16.084 713 1HD PRO 96 2HD PRO 96 0.468 8.974 -16.767 714 2HD PRO 96 1HD PRO 96 -0.999 7.970 -16.830 715 HA PRO 97 HA PRO 97 0.411 12.624 -21.821 716 1HB PRO 97 2HB PRO 97 -1.458 14.558 -22.334 717 2HB PRO 97 1HB PRO 97 -1.364 13.042 -23.252 718 1HG PRO 97 2HG PRO 97 -3.222 13.816 -21.062 719 2HG PRO 97 1HG PRO 97 -3.527 12.852 -22.515 720 1HD PRO 97 2HD PRO 97 -3.164 11.786 -20.017 721 2HD PRO 97 1HD PRO 97 -2.833 10.915 -21.529 722 H SER 98 H SER 98 -0.870 12.959 -18.764 723 HA SER 98 HA SER 98 -0.088 15.789 -18.394 724 1HB SER 98 2HB SER 98 -0.779 15.015 -15.959 725 2HB SER 98 1HB SER 98 -2.018 15.248 -17.189 726 HG SER 98 HG SER 98 -1.212 12.982 -15.923 727 H LYS 99 H LYS 99 1.101 12.552 -17.736 728 HA LYS 99 HA LYS 99 3.309 13.562 -16.049 729 1HB LYS 99 2HB LYS 99 1.888 11.336 -15.915 730 2HB LYS 99 1HB LYS 99 3.038 10.766 -17.125 731 1HG LYS 99 2HG LYS 99 4.723 11.934 -15.322 732 2HG LYS 99 1HG LYS 99 3.452 11.334 -14.255 733 1HD LYS 99 2HD LYS 99 3.766 9.097 -14.935 734 2HD LYS 99 1HD LYS 99 4.632 9.571 -16.396 735 1HE LYS 99 2HE LYS 99 5.971 10.595 -14.021 736 2HE LYS 99 1HE LYS 99 5.810 8.828 -13.967 737 1HZ LYS 99 1HZ LYS 99 6.617 10.218 -16.446 738 2HZ LYS 99 2HZ LYS 99 6.840 8.588 -16.024 739 3HZ LYS 99 3HZ LYS 99 7.770 9.797 -15.275 740 H ARG 100 H ARG 100 2.717 13.689 -19.266 741 HA ARG 100 HA ARG 100 5.317 12.660 -20.238 742 1HB ARG 100 2HB ARG 100 3.093 14.201 -21.610 743 2HB ARG 100 1HB ARG 100 4.377 13.291 -22.408 744 1HG ARG 100 2HG ARG 100 3.472 11.311 -20.910 745 2HG ARG 100 1HG ARG 100 1.996 12.277 -20.901 746 1HD ARG 100 2HD ARG 100 1.554 11.828 -23.097 747 2HD ARG 100 1HD ARG 100 3.260 11.986 -23.563 748 HE ARG 100 HE ARG 100 3.451 9.708 -22.220 749 1HH1 ARG 100 1HH2 ARG 100 0.278 10.286 -22.879 750 2HH1 ARG 100 2HH2 ARG 100 0.033 8.930 -23.928 751 1HH2 ARG 100 2HH1 ARG 100 3.408 8.163 -24.157 752 2HH2 ARG 100 1HH1 ARG 100 1.806 7.726 -24.650 753 H SER 107 1H SER 107 5.298 9.577 1.137 754 HA SER 107 HA SER 107 4.740 8.346 -1.441 755 1HB SER 107 2HB SER 107 6.470 10.183 -0.213 756 2HB SER 107 1HB SER 107 7.477 8.777 -0.540 757 HG SER 107 HG SER 107 7.484 9.997 -2.377 758 H THR 108 H THR 108 4.062 6.182 -0.604 759 HA THR 108 HA THR 108 6.373 4.399 -0.283 760 HB THR 108 HB THR 108 4.388 4.122 1.907 761 HG1 THR 108 HG1 THR 108 6.349 6.040 2.322 762 1HG2 THR 108 1HG2 THR 108 6.087 2.856 2.653 763 2HG2 THR 108 2HG2 THR 108 7.090 4.301 2.781 764 3HG2 THR 108 3HG2 THR 108 7.081 3.364 1.287 765 H ASN 109 H ASN 109 5.560 2.062 -0.076 766 HA ASN 109 HA ASN 109 3.088 1.737 -1.726 767 1HB ASN 109 2HB ASN 109 5.292 0.874 -2.516 768 2HB ASN 109 1HB ASN 109 5.377 -0.156 -1.087 769 1HD2 ASN 109 1HD2 ASN 109 3.820 0.281 -4.207 770 2HD2 ASN 109 2HD2 ASN 109 3.004 -1.204 -4.227 771 HA PRO 110 HA PRO 110 1.343 0.347 2.161 772 1HB PRO 110 2HB PRO 110 -1.223 0.110 1.242 773 2HB PRO 110 1HB PRO 110 -0.486 1.664 1.681 774 1HG PRO 110 2HG PRO 110 -0.939 0.480 -0.996 775 2HG PRO 110 1HG PRO 110 -1.024 2.164 -0.476 776 1HD PRO 110 2HD PRO 110 1.095 1.074 -1.846 777 2HD PRO 110 1HD PRO 110 1.197 2.517 -0.815 778 H PHE 111 H PHE 111 2.124 -1.468 -0.465 779 HA PHE 111 HA PHE 111 0.586 -3.875 0.447 780 1HB PHE 111 2HB PHE 111 2.249 -3.576 -2.066 781 2HB PHE 111 1HB PHE 111 0.981 -4.756 -1.749 782 HD1 PHE 111 HD1 PHE 111 1.585 -1.092 -2.157 783 HD2 PHE 111 HD2 PHE 111 -1.285 -4.295 -2.365 784 HE1 PHE 111 HE1 PHE 111 -0.081 0.455 -3.118 785 HE2 PHE 111 HE2 PHE 111 -2.939 -2.734 -3.312 786 HZ PHE 111 HZ PHE 111 -2.337 -0.356 -3.699 787 H ARG 112 HN ARG 112 3.790 -3.233 -0.971 788 HA ARG 112 HA ARG 112 5.224 -5.409 -0.050 789 1HB ARG 112 2HB ARG 112 6.048 -2.487 -0.126 790 2HB ARG 112 1HB ARG 112 7.169 -3.850 -0.115 791 1HG ARG 112 2HG ARG 112 5.475 -4.532 -2.169 792 2HG ARG 112 1HG ARG 112 5.543 -2.778 -2.325 793 1HD ARG 112 2HD ARG 112 8.186 -3.919 -1.805 794 2HD ARG 112 1HD ARG 112 7.459 -4.552 -3.294 795 HE ARG 112 HE ARG 112 6.912 -1.813 -3.337 796 1HH1 ARG 112 1HH2 ARG 112 9.825 -3.128 -2.271 797 2HH1 ARG 112 2HH2 ARG 112 10.813 -2.330 -3.447 798 1HH2 ARG 112 1HH1 ARG 112 8.125 -1.074 -5.242 799 2HH2 ARG 112 2HH1 ARG 112 9.851 -1.168 -5.130 Start of MODEL 14 1 HA PRO 6 HA PRO 6 -1.512 6.127 -27.256 2 1HB PRO 6 2HB PRO 6 -3.921 4.888 -26.861 3 2HB PRO 6 1HB PRO 6 -3.415 5.535 -28.435 4 1HG PRO 6 2HG PRO 6 -3.400 2.731 -27.449 5 2HG PRO 6 1HG PRO 6 -3.776 3.359 -29.060 6 1HD PRO 6 2HD PRO 6 -1.389 2.199 -28.401 7 2HD PRO 6 1HD PRO 6 -1.583 3.399 -29.698 8 H TRP 7 H TRP 7 -3.237 5.941 -25.154 9 HA TRP 7 HA TRP 7 -1.580 5.266 -22.925 10 1HB TRP 7 2HB TRP 7 -3.462 6.910 -22.991 11 2HB TRP 7 1HB TRP 7 -4.597 5.563 -23.096 12 HD1 TRP 7 HD1 TRP 7 -1.595 4.919 -20.991 13 HE1 TRP 7 HE1 TRP 7 -2.239 4.937 -18.502 14 HE3 TRP 7 HE3 TRP 7 -6.323 6.804 -21.329 15 HZ2 TRP 7 HZ2 TRP 7 -4.474 5.660 -16.860 16 HZ3 TRP 7 HZ3 TRP 7 -7.688 7.147 -19.290 17 HH2 TRP 7 HH2 TRP 7 -6.772 6.578 -17.058 18 H ALA 8 H ALA 8 -1.101 3.223 -22.232 19 HA ALA 8 HA ALA 8 -1.990 0.785 -23.165 20 1HB ALA 8 1HB ALA 8 -1.480 1.430 -20.249 21 2HB ALA 8 2HB ALA 8 -0.197 1.329 -21.455 22 3HB ALA 8 3HB ALA 8 -1.162 -0.097 -21.071 23 H VAL 9 H VAL 9 -3.716 2.981 -21.043 24 HA VAL 9 HA VAL 9 -5.827 0.926 -20.559 25 HB VAL 9 HB VAL 9 -5.143 3.632 -19.388 26 1HG1 VAL 9 1HG1 VAL 9 -7.518 3.645 -19.380 27 2HG1 VAL 9 2HG1 VAL 9 -7.078 3.031 -17.786 28 3HG1 VAL 9 3HG1 VAL 9 -7.607 1.916 -19.046 29 1HG2 VAL 9 1HG2 VAL 9 -4.592 0.857 -18.747 30 2HG2 VAL 9 2HG2 VAL 9 -5.472 1.634 -17.429 31 3HG2 VAL 9 3HG2 VAL 9 -3.948 2.317 -17.996 32 H LYS 10 H LYS 10 -8.013 1.371 -21.143 33 HA LYS 10 HA LYS 10 -8.324 3.454 -23.277 34 1HB LYS 10 2HB LYS 10 -9.546 0.742 -22.718 35 2HB LYS 10 1HB LYS 10 -10.248 1.843 -23.901 36 1HG LYS 10 2HG LYS 10 -7.634 1.933 -24.645 37 2HG LYS 10 1HG LYS 10 -7.736 0.281 -24.036 38 1HD LYS 10 2HD LYS 10 -9.865 0.066 -25.465 39 2HD LYS 10 1HD LYS 10 -9.338 1.551 -26.257 40 1HE LYS 10 2HE LYS 10 -7.174 0.474 -26.829 41 2HE LYS 10 1HE LYS 10 -7.741 -1.030 -26.074 42 1HZ LYS 10 1HZ LYS 10 -8.241 -1.076 -28.422 43 2HZ LYS 10 2HZ LYS 10 -9.050 0.415 -28.318 44 3HZ LYS 10 3HZ LYS 10 -9.687 -0.955 -27.544 45 HA PRO 11 HA PRO 11 -11.457 5.520 -21.000 46 1HB PRO 11 2HB PRO 11 -13.568 5.681 -22.757 47 2HB PRO 11 1HB PRO 11 -12.110 6.688 -22.885 48 1HG PRO 11 2HG PRO 11 -12.799 4.167 -24.335 49 2HG PRO 11 1HG PRO 11 -12.095 5.668 -24.964 50 1HD PRO 11 2HD PRO 11 -10.568 3.531 -24.467 51 2HD PRO 11 1HD PRO 11 -9.979 5.177 -24.143 52 H GLU 12 H GLU 12 -12.536 2.588 -22.683 53 HA GLU 12 HA GLU 12 -14.871 2.130 -21.038 54 1HB GLU 12 2HB GLU 12 -14.895 0.008 -22.180 55 2HB GLU 12 1HB GLU 12 -14.274 1.183 -23.340 56 1HG GLU 12 2HG GLU 12 -11.938 0.480 -22.291 57 2HG GLU 12 1HG GLU 12 -12.820 -0.992 -21.885 58 H ASP 13 H ASP 13 -11.446 1.373 -20.742 59 HA ASP 13 HA ASP 13 -11.821 -0.447 -18.467 60 1HB ASP 13 2HB ASP 13 -9.718 0.480 -20.279 61 2HB ASP 13 1HB ASP 13 -9.157 0.390 -18.609 62 H LYS 14 H LYS 14 -10.811 2.891 -19.072 63 HA LYS 14 HA LYS 14 -10.227 3.513 -16.303 64 1HB LYS 14 2HB LYS 14 -9.218 4.829 -18.021 65 2HB LYS 14 1HB LYS 14 -10.765 5.088 -18.827 66 1HG LYS 14 2HG LYS 14 -10.233 7.122 -17.661 67 2HG LYS 14 1HG LYS 14 -11.525 6.331 -16.758 68 1HD LYS 14 2HD LYS 14 -10.148 5.783 -14.993 69 2HD LYS 14 1HD LYS 14 -8.715 5.654 -16.013 70 1HE LYS 14 2HE LYS 14 -10.084 8.279 -15.313 71 2HE LYS 14 1HE LYS 14 -8.618 7.662 -14.525 72 1HZ LYS 14 1HZ LYS 14 -8.731 9.076 -16.891 73 2HZ LYS 14 2HZ LYS 14 -8.419 7.473 -17.359 74 3HZ LYS 14 3HZ LYS 14 -7.386 8.258 -16.263 75 H ALA 15 H ALA 15 -13.087 3.133 -18.150 76 HA ALA 15 HA ALA 15 -14.801 4.937 -16.624 77 1HB ALA 15 1HB ALA 15 -15.292 2.586 -18.487 78 2HB ALA 15 2HB ALA 15 -15.322 4.295 -18.922 79 3HB ALA 15 3HB ALA 15 -16.571 3.630 -17.869 80 H LYS 16 H LYS 16 -14.004 1.474 -16.601 81 HA LYS 16 HA LYS 16 -15.798 0.919 -14.351 82 1HB LYS 16 2HB LYS 16 -15.334 -1.262 -14.914 83 2HB LYS 16 1HB LYS 16 -14.751 -0.522 -16.401 84 1HG LYS 16 2HG LYS 16 -12.479 -0.508 -15.566 85 2HG LYS 16 1HG LYS 16 -13.018 -1.081 -13.988 86 1HD LYS 16 2HD LYS 16 -12.182 -3.003 -15.166 87 2HD LYS 16 1HD LYS 16 -13.941 -3.129 -15.170 88 1HE LYS 16 2HE LYS 16 -13.330 -1.609 -17.457 89 2HE LYS 16 1HE LYS 16 -12.141 -2.927 -17.435 90 1HZ LYS 16 1HZ LYS 16 -15.080 -3.216 -17.100 91 2HZ LYS 16 2HZ LYS 16 -13.955 -4.483 -16.981 92 3HZ LYS 16 3HZ LYS 16 -14.185 -3.683 -18.462 93 H TYR 17 H TYR 17 -12.495 1.872 -14.899 94 HA TYR 17 HA TYR 17 -11.441 1.174 -12.283 95 1HB TYR 17 2HB TYR 17 -10.624 3.170 -14.427 96 2HB TYR 17 1HB TYR 17 -9.627 2.751 -13.037 97 HD1 TYR 17 HD1 TYR 17 -11.428 -0.132 -13.837 98 HD2 TYR 17 HD2 TYR 17 -8.152 2.249 -15.262 99 HE1 TYR 17 HE1 TYR 17 -10.541 -2.091 -15.064 100 HE2 TYR 17 HE2 TYR 17 -7.253 0.286 -16.484 101 HH TYR 17 HH TYR 17 -7.960 -1.813 -17.358 102 H ASP 18 H ASP 18 -13.005 3.990 -13.749 103 HA ASP 18 HA ASP 18 -12.565 5.795 -11.522 104 1HB ASP 18 2HB ASP 18 -13.951 5.683 -14.101 105 2HB ASP 18 1HB ASP 18 -14.861 6.596 -12.896 106 H ALA 19 H ALA 19 -14.792 3.196 -12.111 107 HA ALA 19 HA ALA 19 -16.804 4.112 -10.175 108 1HB ALA 19 1HB ALA 19 -16.415 2.033 -12.181 109 2HB ALA 19 2HB ALA 19 -17.924 2.660 -11.516 110 3HB ALA 19 3HB ALA 19 -17.068 1.358 -10.689 111 H ILE 20 H ILE 20 -14.105 1.822 -10.334 112 HA ILE 20 HA ILE 20 -14.493 0.802 -7.643 113 HB ILE 20 HB ILE 20 -12.245 0.751 -9.684 114 1HG1 ILE 20 2HG1 ILE 20 -14.003 -1.540 -8.806 115 2HG1 ILE 20 1HG1 ILE 20 -14.519 -0.435 -10.079 116 1HG2 ILE 20 1HG2 ILE 20 -12.505 -0.982 -7.224 117 2HG2 ILE 20 2HG2 ILE 20 -11.526 0.483 -7.263 118 3HG2 ILE 20 3HG2 ILE 20 -11.133 -0.867 -8.327 119 1HD1 ILE 20 1HD1 ILE 20 -12.615 -0.979 -11.441 120 2HD1 ILE 20 2HD1 ILE 20 -13.304 -2.509 -10.896 121 3HD1 ILE 20 3HD1 ILE 20 -11.852 -1.870 -10.123 122 H PHE 21 H PHE 21 -12.771 3.392 -9.236 123 HA PHE 21 HA PHE 21 -11.043 4.092 -7.023 124 1HB PHE 21 2HB PHE 21 -10.240 4.911 -9.027 125 2HB PHE 21 1HB PHE 21 -11.856 5.115 -9.697 126 HD1 PHE 21 HD1 PHE 21 -9.094 6.727 -7.984 127 HD2 PHE 21 HD2 PHE 21 -13.261 7.080 -8.961 128 HE1 PHE 21 HE1 PHE 21 -9.010 9.150 -7.465 129 HE2 PHE 21 HE2 PHE 21 -13.177 9.503 -8.444 130 HZ PHE 21 HZ PHE 21 -11.053 10.537 -7.696 131 H ASP 22 H ASP 22 -14.231 5.075 -8.168 132 HA ASP 22 HA ASP 22 -14.543 7.088 -6.028 133 1HB ASP 22 2HB ASP 22 -15.402 7.712 -8.145 134 2HB ASP 22 1HB ASP 22 -16.125 6.123 -8.414 135 H SER 23 H SER 23 -14.793 3.780 -6.155 136 HA SER 23 HA SER 23 -17.299 3.519 -4.599 137 1HB SER 23 2HB SER 23 -16.717 1.857 -6.297 138 2HB SER 23 1HB SER 23 -15.152 1.584 -5.535 139 HG SER 23 HG SER 23 -16.448 0.002 -4.756 140 H LEU 24 H LEU 24 -14.067 4.248 -4.030 141 HA LEU 24 HA LEU 24 -14.067 3.119 -1.262 142 1HB LEU 24 2HB LEU 24 -11.737 4.474 -2.580 143 2HB LEU 24 1HB LEU 24 -11.741 3.116 -1.459 144 HG LEU 24 HG LEU 24 -12.825 2.905 -4.272 145 1HD1 LEU 24 1HD1 LEU 24 -10.152 3.369 -3.578 146 2HD1 LEU 24 2HD1 LEU 24 -10.738 2.726 -5.111 147 3HD1 LEU 24 3HD1 LEU 24 -10.254 1.628 -3.819 148 1HD2 LEU 24 1HD2 LEU 24 -11.605 0.615 -2.855 149 2HD2 LEU 24 2HD2 LEU 24 -13.098 0.688 -3.792 150 3HD2 LEU 24 3HD2 LEU 24 -13.080 1.238 -2.116 151 H SER 25 H SER 25 -14.559 5.931 -3.075 152 HA SER 25 HA SER 25 -15.236 8.082 -2.272 153 1HB SER 25 2HB SER 25 -15.401 8.423 0.010 154 2HB SER 25 1HB SER 25 -15.265 6.668 0.011 155 HG SER 25 HG SER 25 -13.276 8.618 0.505 156 HA PRO 26 HA PRO 26 -11.021 9.196 -3.481 157 1HB PRO 26 2HB PRO 26 -11.811 11.141 -5.224 158 2HB PRO 26 1HB PRO 26 -11.782 9.418 -5.653 159 1HG PRO 26 2HG PRO 26 -14.078 11.139 -4.877 160 2HG PRO 26 1HG PRO 26 -13.991 9.849 -6.087 161 1HD PRO 26 2HD PRO 26 -15.096 9.541 -3.603 162 2HD PRO 26 1HD PRO 26 -14.398 8.209 -4.548 163 H VAL 27 H VAL 27 -9.778 11.004 -2.897 164 HA VAL 27 HA VAL 27 -11.208 13.188 -1.425 165 HB VAL 27 HB VAL 27 -8.559 11.838 -0.803 166 1HG1 VAL 27 1HG1 VAL 27 -8.471 14.115 -0.054 167 2HG1 VAL 27 2HG1 VAL 27 -8.853 13.143 1.367 168 3HG1 VAL 27 3HG1 VAL 27 -10.127 14.048 0.548 169 1HG2 VAL 27 1HG2 VAL 27 -9.670 10.704 0.959 170 2HG2 VAL 27 2HG2 VAL 27 -10.778 10.559 -0.406 171 3HG2 VAL 27 3HG2 VAL 27 -11.083 11.754 0.854 172 H ASN 28 H ASN 28 -10.996 14.928 -2.826 173 HA ASN 28 HA ASN 28 -9.902 16.593 -4.101 174 1HB ASN 28 2HB ASN 28 -8.423 16.375 -2.015 175 2HB ASN 28 1HB ASN 28 -7.370 15.357 -2.995 176 1HD2 ASN 28 1HD2 ASN 28 -6.739 16.440 -5.210 177 2HD2 ASN 28 2HD2 ASN 28 -6.381 18.098 -5.151 178 H GLY 29 H GLY 29 -10.106 13.535 -4.852 179 1HA GLY 29 2HA GLY 29 -9.881 12.629 -7.065 180 2HA GLY 29 1HA GLY 29 -8.650 13.845 -7.412 181 H PHE 30 H PHE 30 -8.756 11.724 -4.571 182 HA PHE 30 HA PHE 30 -6.480 10.149 -5.661 183 1HB PHE 30 2HB PHE 30 -6.467 11.944 -3.226 184 2HB PHE 30 1HB PHE 30 -5.233 10.705 -3.506 185 HD1 PHE 30 HD1 PHE 30 -6.440 13.995 -4.414 186 HD2 PHE 30 HD2 PHE 30 -3.884 10.766 -5.616 187 HE1 PHE 30 HE1 PHE 30 -5.279 15.511 -5.981 188 HE2 PHE 30 HE2 PHE 30 -2.701 12.289 -7.186 189 HZ PHE 30 HZ PHE 30 -3.400 14.666 -7.369 190 H LEU 31 H LEU 31 -6.278 8.132 -4.753 191 HA LEU 31 HA LEU 31 -8.296 7.385 -2.653 192 1HB LEU 31 2HB LEU 31 -7.045 5.942 -4.989 193 2HB LEU 31 1HB LEU 31 -7.688 5.033 -3.620 194 HG LEU 31 HG LEU 31 -9.178 6.867 -5.496 195 1HD1 LEU 31 1HD1 LEU 31 -8.994 3.965 -4.892 196 2HD1 LEU 31 2HD1 LEU 31 -9.339 4.774 -6.424 197 3HD1 LEU 31 3HD1 LEU 31 -10.614 4.589 -5.218 198 1HD2 LEU 31 1HD2 LEU 31 -11.132 6.053 -3.888 199 2HD2 LEU 31 2HD2 LEU 31 -10.207 7.507 -3.510 200 3HD2 LEU 31 3HD2 LEU 31 -9.826 5.985 -2.705 201 H SER 32 H SER 32 -7.409 6.712 -0.748 202 HA SER 32 HA SER 32 -4.494 6.730 -0.463 203 1HB SER 32 2HB SER 32 -6.505 5.832 1.595 204 2HB SER 32 1HB SER 32 -4.985 6.684 1.849 205 HG SER 32 HG SER 32 -6.886 8.025 2.010 206 H GLY 33 H GLY 33 -3.193 4.898 0.003 207 1HA GLY 33 2HA GLY 33 -3.711 2.475 -1.261 208 2HA GLY 33 1HA GLY 33 -2.675 2.590 0.167 209 H ASP 34 H ASP 34 -4.916 3.661 1.774 210 HA ASP 34 HA ASP 34 -5.888 1.270 2.971 211 1HB ASP 34 2HB ASP 34 -5.734 3.650 3.878 212 2HB ASP 34 1HB ASP 34 -7.208 3.996 2.976 213 H LYS 35 H LYS 35 -7.051 3.141 0.242 214 HA LYS 35 HA LYS 35 -9.622 1.650 0.178 215 1HB LYS 35 2HB LYS 35 -8.411 4.024 -1.267 216 2HB LYS 35 1HB LYS 35 -9.955 3.324 -1.744 217 1HG LYS 35 2HG LYS 35 -10.908 3.779 0.436 218 2HG LYS 35 1HG LYS 35 -9.341 4.298 1.057 219 1HD LYS 35 2HD LYS 35 -9.336 6.120 -0.679 220 2HD LYS 35 1HD LYS 35 -10.991 5.665 -1.083 221 1HE LYS 35 2HE LYS 35 -10.843 7.572 0.571 222 2HE LYS 35 1HE LYS 35 -11.731 6.169 1.197 223 1HZ LYS 35 1HZ LYS 35 -8.829 6.177 1.527 224 2HZ LYS 35 2HZ LYS 35 -10.035 5.571 2.558 225 3HZ LYS 35 3HZ LYS 35 -9.711 7.239 2.513 226 H VAL 36 H VAL 36 -6.609 2.196 -1.572 227 HA VAL 36 HA VAL 36 -7.304 0.492 -3.834 228 HB VAL 36 HB VAL 36 -4.708 1.621 -2.768 229 1HG1 VAL 36 1HG1 VAL 36 -5.087 -0.417 -4.630 230 2HG1 VAL 36 2HG1 VAL 36 -3.627 0.552 -4.433 231 3HG1 VAL 36 3HG1 VAL 36 -4.848 1.023 -5.613 232 1HG2 VAL 36 1HG2 VAL 36 -6.379 2.541 -5.119 233 2HG2 VAL 36 2HG2 VAL 36 -5.046 3.395 -4.342 234 3HG2 VAL 36 3HG2 VAL 36 -6.581 3.203 -3.495 235 H LYS 37 H LYS 37 -5.355 0.110 -0.869 236 HA LYS 37 HA LYS 37 -4.088 -2.292 -1.311 237 1HB LYS 37 2HB LYS 37 -4.100 -0.820 0.752 238 2HB LYS 37 1HB LYS 37 -5.585 -1.634 1.233 239 1HG LYS 37 2HG LYS 37 -4.400 -3.363 2.045 240 2HG LYS 37 1HG LYS 37 -3.652 -3.611 0.467 241 1HD LYS 37 2HD LYS 37 -1.718 -2.660 1.135 242 2HD LYS 37 1HD LYS 37 -2.562 -1.274 1.825 243 1HE LYS 37 2HE LYS 37 -3.155 -3.445 3.537 244 2HE LYS 37 1HE LYS 37 -1.413 -3.542 3.204 245 1HZ LYS 37 1HZ LYS 37 -1.165 -1.237 3.744 246 2HZ LYS 37 2HZ LYS 37 -1.962 -1.995 5.039 247 3HZ LYS 37 3HZ LYS 37 -2.839 -1.041 3.939 248 HA PRO 38 HA PRO 38 -8.013 -4.799 -0.151 249 1HB PRO 38 2HB PRO 38 -10.416 -3.496 -0.362 250 2HB PRO 38 1HB PRO 38 -9.501 -3.601 1.156 251 1HG PRO 38 2HG PRO 38 -9.658 -1.366 -0.809 252 2HG PRO 38 1HG PRO 38 -9.657 -1.315 0.962 253 1HD PRO 38 2HD PRO 38 -7.463 -0.751 -0.499 254 2HD PRO 38 1HD PRO 38 -7.375 -1.513 1.104 255 H VAL 39 H VAL 39 -8.291 -2.206 -2.522 256 HA VAL 39 HA VAL 39 -9.878 -3.579 -4.475 257 HB VAL 39 HB VAL 39 -8.038 -1.232 -4.288 258 1HG1 VAL 39 1HG1 VAL 39 -8.493 -2.777 -6.768 259 2HG1 VAL 39 2HG1 VAL 39 -7.225 -1.613 -6.381 260 3HG1 VAL 39 3HG1 VAL 39 -8.814 -1.047 -6.899 261 1HG2 VAL 39 1HG2 VAL 39 -10.742 -1.624 -4.092 262 2HG2 VAL 39 2HG2 VAL 39 -10.585 -1.103 -5.770 263 3HG2 VAL 39 3HG2 VAL 39 -9.983 -0.077 -4.469 264 H LEU 40 H LEU 40 -6.386 -3.470 -3.833 265 HA LEU 40 HA LEU 40 -5.774 -5.135 -6.196 266 1HB LEU 40 2HB LEU 40 -4.002 -4.174 -3.932 267 2HB LEU 40 1HB LEU 40 -3.503 -4.647 -5.556 268 HG LEU 40 HG LEU 40 -5.430 -2.379 -5.067 269 1HD1 LEU 40 1HD1 LEU 40 -3.615 -1.448 -4.047 270 2HD1 LEU 40 2HD1 LEU 40 -3.183 -1.099 -5.723 271 3HD1 LEU 40 3HD1 LEU 40 -2.461 -2.480 -4.893 272 1HD2 LEU 40 1HD2 LEU 40 -4.581 -1.756 -7.353 273 2HD2 LEU 40 2HD2 LEU 40 -5.468 -3.281 -7.301 274 3HD2 LEU 40 3HD2 LEU 40 -3.705 -3.287 -7.379 275 H LEU 41 H LEU 41 -6.063 -5.446 -2.699 276 HA LEU 41 HA LEU 41 -4.808 -8.037 -2.498 277 1HB LEU 41 2HB LEU 41 -6.783 -6.462 -0.826 278 2HB LEU 41 1HB LEU 41 -6.096 -7.999 -0.303 279 HG LEU 41 HG LEU 41 -4.347 -5.708 -1.182 280 1HD1 LEU 41 1HD1 LEU 41 -4.103 -5.218 1.272 281 2HD1 LEU 41 2HD1 LEU 41 -5.450 -6.313 1.577 282 3HD1 LEU 41 3HD1 LEU 41 -5.706 -4.842 0.637 283 1HD2 LEU 41 1HD2 LEU 41 -3.491 -7.591 0.908 284 2HD2 LEU 41 2HD2 LEU 41 -2.641 -7.070 -0.549 285 3HD2 LEU 41 3HD2 LEU 41 -3.841 -8.364 -0.639 286 H ASN 42 H ASN 42 -7.743 -6.936 -3.832 287 HA ASN 42 HA ASN 42 -9.235 -9.406 -3.256 288 1HB ASN 42 2HB ASN 42 -9.811 -6.710 -3.817 289 2HB ASN 42 1HB ASN 42 -10.404 -7.610 -5.214 290 1HD2 ASN 42 1HD2 ASN 42 -12.385 -6.493 -3.700 291 2HD2 ASN 42 2HD2 ASN 42 -13.162 -7.657 -2.741 292 H SER 43 H SER 43 -7.012 -8.321 -5.581 293 HA SER 43 HA SER 43 -8.117 -9.727 -7.899 294 1HB SER 43 2HB SER 43 -6.060 -8.960 -8.936 295 2HB SER 43 1HB SER 43 -6.676 -7.664 -7.916 296 HG SER 43 HG SER 43 -4.383 -8.182 -7.689 297 H LYS 44 H LYS 44 -7.073 -11.029 -5.138 298 HA LYS 44 HA LYS 44 -6.207 -13.153 -4.584 299 1HB LYS 44 2HB LYS 44 -7.449 -13.294 -7.115 300 2HB LYS 44 1HB LYS 44 -5.920 -14.156 -7.291 301 1HG LYS 44 2HG LYS 44 -6.480 -15.415 -5.176 302 2HG LYS 44 1HG LYS 44 -8.078 -14.669 -5.226 303 1HD LYS 44 2HD LYS 44 -8.592 -16.551 -6.426 304 2HD LYS 44 1HD LYS 44 -7.940 -15.598 -7.759 305 1HE LYS 44 2HE LYS 44 -5.633 -16.654 -6.821 306 2HE LYS 44 1HE LYS 44 -6.759 -17.952 -6.376 307 1HZ LYS 44 1HZ LYS 44 -7.694 -17.402 -8.761 308 2HZ LYS 44 2HZ LYS 44 -6.411 -18.496 -8.549 309 3HZ LYS 44 3HZ LYS 44 -6.097 -16.896 -9.026 310 H LEU 45 H LEU 45 -4.546 -10.779 -5.958 311 HA LEU 45 HA LEU 45 -2.100 -12.258 -6.753 312 1HB LEU 45 2HB LEU 45 -3.122 -9.432 -6.750 313 2HB LEU 45 1HB LEU 45 -1.384 -9.712 -6.872 314 HG LEU 45 HG LEU 45 -3.508 -10.847 -8.706 315 1HD1 LEU 45 1HD1 LEU 45 -1.265 -9.149 -9.669 316 2HD1 LEU 45 2HD1 LEU 45 -2.519 -8.333 -8.735 317 3HD1 LEU 45 3HD1 LEU 45 -2.943 -9.206 -10.205 318 1HD2 LEU 45 1HD2 LEU 45 -1.985 -12.400 -9.304 319 2HD2 LEU 45 2HD2 LEU 45 -0.892 -11.804 -8.056 320 3HD2 LEU 45 3HD2 LEU 45 -0.827 -11.127 -9.682 321 HA PRO 46 HA PRO 46 -0.298 -11.796 -2.778 322 1HB PRO 46 2HB PRO 46 2.353 -11.803 -3.458 323 2HB PRO 46 1HB PRO 46 1.345 -13.261 -3.498 324 1HG PRO 46 2HG PRO 46 2.290 -11.560 -5.718 325 2HG PRO 46 1HG PRO 46 1.987 -13.300 -5.675 326 1HD PRO 46 2HD PRO 46 0.294 -11.408 -6.777 327 2HD PRO 46 1HD PRO 46 -0.178 -13.050 -6.305 328 H VAL 47 H VAL 47 1.256 -10.237 -1.626 329 HA VAL 47 HA VAL 47 0.619 -7.515 -2.288 330 HB VAL 47 HB VAL 47 2.442 -8.935 -0.333 331 1HG1 VAL 47 1HG1 VAL 47 3.401 -6.728 -0.797 332 2HG1 VAL 47 2HG1 VAL 47 2.666 -6.746 0.807 333 3HG1 VAL 47 3HG1 VAL 47 1.827 -5.978 -0.539 334 1HG2 VAL 47 1HG2 VAL 47 0.719 -8.210 1.280 335 2HG2 VAL 47 2HG2 VAL 47 -0.001 -9.167 -0.015 336 3HG2 VAL 47 3HG2 VAL 47 -0.164 -7.411 -0.019 337 H ASP 48 H ASP 48 2.872 -9.627 -3.608 338 HA ASP 48 HA ASP 48 5.073 -7.744 -3.936 339 1HB ASP 48 2HB ASP 48 5.234 -10.266 -3.791 340 2HB ASP 48 1HB ASP 48 4.457 -10.346 -5.373 341 H ILE 49 H ILE 49 2.265 -8.853 -5.746 342 HA ILE 49 HA ILE 49 3.010 -7.435 -8.203 343 HB ILE 49 HB ILE 49 0.269 -8.418 -7.394 344 1HG1 ILE 49 2HG1 ILE 49 1.809 -10.228 -6.857 345 2HG1 ILE 49 1HG1 ILE 49 0.944 -10.628 -8.340 346 1HG2 ILE 49 1HG2 ILE 49 0.583 -9.090 -9.975 347 2HG2 ILE 49 2HG2 ILE 49 1.729 -7.749 -9.903 348 3HG2 ILE 49 3HG2 ILE 49 0.037 -7.486 -9.481 349 1HD1 ILE 49 1HD1 ILE 49 3.411 -11.058 -8.458 350 2HD1 ILE 49 2HD1 ILE 49 3.668 -9.319 -8.279 351 3HD1 ILE 49 3HD1 ILE 49 2.817 -9.948 -9.696 352 H LEU 50 H LEU 50 0.765 -7.051 -5.505 353 HA LEU 50 HA LEU 50 -0.461 -4.625 -6.390 354 1HB LEU 50 2HB LEU 50 0.066 -5.502 -3.542 355 2HB LEU 50 1HB LEU 50 -1.283 -4.543 -4.149 356 HG LEU 50 HG LEU 50 -0.756 -7.475 -4.637 357 1HD1 LEU 50 1HD1 LEU 50 -1.952 -6.529 -2.528 358 2HD1 LEU 50 2HD1 LEU 50 -2.713 -7.855 -3.405 359 3HD1 LEU 50 3HD1 LEU 50 -3.288 -6.203 -3.632 360 1HD2 LEU 50 1HD2 LEU 50 -1.777 -7.240 -6.634 361 2HD2 LEU 50 2HD2 LEU 50 -2.078 -5.530 -6.329 362 3HD2 LEU 50 3HD2 LEU 50 -3.226 -6.741 -5.762 363 H GLY 51 H GLY 51 2.565 -5.329 -4.648 364 1HA GLY 51 2HA GLY 51 3.042 -2.544 -3.944 365 2HA GLY 51 1HA GLY 51 4.247 -3.835 -3.919 366 H ARG 52 H ARG 52 3.262 -4.442 -6.763 367 HA ARG 52 HA ARG 52 5.129 -2.566 -8.110 368 1HB ARG 52 2HB ARG 52 5.171 -5.171 -8.081 369 2HB ARG 52 1HB ARG 52 3.837 -5.049 -9.227 370 1HG ARG 52 2HG ARG 52 5.328 -4.733 -10.870 371 2HG ARG 52 1HG ARG 52 5.817 -3.224 -10.098 372 1HD ARG 52 2HD ARG 52 7.008 -5.982 -9.700 373 2HD ARG 52 1HD ARG 52 7.825 -4.499 -10.235 374 HE ARG 52 HE ARG 52 7.163 -3.588 -7.903 375 1HH1 ARG 52 1HH2 ARG 52 9.409 -5.799 -8.250 376 2HH1 ARG 52 2HH2 ARG 52 9.122 -6.703 -6.801 377 1HH2 ARG 52 2HH1 ARG 52 6.044 -5.240 -6.177 378 2HH2 ARG 52 1HH1 ARG 52 7.220 -6.388 -5.629 379 H VAL 53 H VAL 53 1.748 -3.672 -8.120 380 HA VAL 53 HA VAL 53 1.099 -2.267 -10.604 381 HB VAL 53 HB VAL 53 -0.455 -3.551 -8.345 382 1HG1 VAL 53 1HG1 VAL 53 -2.002 -2.950 -10.746 383 2HG1 VAL 53 2HG1 VAL 53 -1.447 -1.485 -9.942 384 3HG1 VAL 53 3HG1 VAL 53 -2.409 -2.665 -9.054 385 1HG2 VAL 53 1HG2 VAL 53 -0.679 -5.355 -9.776 386 2HG2 VAL 53 2HG2 VAL 53 0.859 -4.726 -10.363 387 3HG2 VAL 53 3HG2 VAL 53 -0.634 -4.349 -11.227 388 H TRP 54 H TRP 54 0.988 -1.573 -7.136 389 HA TRP 54 HA TRP 54 -0.468 0.923 -7.372 390 1HB TRP 54 2HB TRP 54 -0.436 -0.079 -5.225 391 2HB TRP 54 1HB TRP 54 1.300 -0.386 -5.304 392 HD1 TRP 54 HD1 TRP 54 2.910 1.849 -5.268 393 HE1 TRP 54 HE1 TRP 54 2.591 4.078 -4.055 394 HE3 TRP 54 HE3 TRP 54 -2.087 1.581 -4.248 395 HZ2 TRP 54 HZ2 TRP 54 0.495 5.560 -2.764 396 HZ3 TRP 54 HZ3 TRP 54 -3.220 3.421 -3.005 397 HH2 TRP 54 HH2 TRP 54 -1.934 5.395 -2.273 398 H GLU 55 H GLU 55 3.030 0.122 -7.032 399 HA GLU 55 HA GLU 55 3.976 2.792 -7.042 400 1HB GLU 55 2HB GLU 55 5.158 0.195 -8.033 401 2HB GLU 55 1HB GLU 55 6.085 1.684 -7.855 402 1HG GLU 55 2HG GLU 55 4.458 0.844 -5.517 403 2HG GLU 55 1HG GLU 55 5.888 -0.126 -5.879 404 H LEU 56 H LEU 56 3.837 0.558 -9.844 405 HA LEU 56 HA LEU 56 4.460 2.557 -11.793 406 1HB LEU 56 2HB LEU 56 2.824 -0.002 -11.953 407 2HB LEU 56 1HB LEU 56 3.413 0.887 -13.357 408 HG LEU 56 HG LEU 56 5.427 0.204 -11.280 409 1HD1 LEU 56 1HD1 LEU 56 5.253 -2.037 -11.415 410 2HD1 LEU 56 2HD1 LEU 56 5.099 -1.981 -13.171 411 3HD1 LEU 56 3HD1 LEU 56 3.672 -1.786 -12.154 412 1HD2 LEU 56 1HD2 LEU 56 5.448 1.213 -13.869 413 2HD2 LEU 56 2HD2 LEU 56 5.910 -0.472 -14.101 414 3HD2 LEU 56 3HD2 LEU 56 6.851 0.560 -13.025 415 H SER 57 H SER 57 1.675 1.974 -9.884 416 HA SER 57 HA SER 57 -0.222 3.384 -11.662 417 1HB SER 57 2HB SER 57 -1.216 1.624 -10.489 418 2HB SER 57 1HB SER 57 -0.237 1.904 -9.051 419 HG SER 57 HG SER 57 -2.113 2.774 -8.486 420 H ASP 58 H ASP 58 1.623 3.875 -8.686 421 HA ASP 58 HA ASP 58 0.422 6.428 -7.992 422 1HB ASP 58 2HB ASP 58 2.191 4.490 -6.909 423 2HB ASP 58 1HB ASP 58 3.076 6.015 -6.942 424 H ILE 59 H ILE 59 0.758 7.165 -10.390 425 HA ILE 59 HA ILE 59 3.110 7.727 -11.690 426 HB ILE 59 HB ILE 59 0.748 9.565 -11.194 427 1HG1 ILE 59 2HG1 ILE 59 0.143 7.359 -12.134 428 2HG1 ILE 59 1HG1 ILE 59 -0.079 8.633 -13.331 429 1HG2 ILE 59 1HG2 ILE 59 2.716 9.584 -13.494 430 2HG2 ILE 59 2HG2 ILE 59 2.808 10.679 -12.116 431 3HG2 ILE 59 3HG2 ILE 59 1.415 10.737 -13.197 432 1HD1 ILE 59 1HD1 ILE 59 1.046 6.671 -14.318 433 2HD1 ILE 59 2HD1 ILE 59 2.340 6.815 -13.127 434 3HD1 ILE 59 3HD1 ILE 59 2.105 8.082 -14.332 435 H ASP 60 H ASP 60 1.921 9.333 -8.764 436 HA ASP 60 HA ASP 60 4.362 11.068 -8.753 437 1HB ASP 60 2HB ASP 60 2.999 12.380 -7.108 438 2HB ASP 60 1HB ASP 60 2.200 12.207 -8.672 439 H HIS 61 H HIS 61 2.667 8.531 -7.035 440 HA HIS 61 HA HIS 61 3.447 7.128 -5.285 441 1HB HIS 61 2HB HIS 61 5.973 8.776 -5.238 442 2HB HIS 61 1HB HIS 61 5.778 7.050 -4.944 443 HD1 HIS 61 HD1 HIS 61 5.054 5.608 -7.147 444 HD2 HIS 61 HD2 HIS 61 6.655 9.392 -7.853 445 HE1 HIS 61 HE1 HIS 61 5.747 5.650 -9.583 446 H ASP 62 H ASP 62 1.885 9.473 -4.722 447 HA ASP 62 HA ASP 62 3.129 10.760 -2.365 448 1HB ASP 62 2HB ASP 62 1.269 12.251 -2.529 449 2HB ASP 62 1HB ASP 62 1.706 11.872 -4.195 450 H GLY 63 H GLY 63 1.519 7.893 -2.933 451 1HA GLY 63 2HA GLY 63 0.993 6.352 -1.140 452 2HA GLY 63 1HA GLY 63 0.691 7.730 -0.084 453 H MET 64 H MET 64 -0.629 7.890 -3.276 454 HA MET 64 HA MET 64 -3.220 6.759 -2.458 455 1HB MET 64 2HB MET 64 -3.274 9.589 -3.433 456 2HB MET 64 1HB MET 64 -4.405 8.751 -2.374 457 1HG MET 64 2HG MET 64 -2.653 8.768 -0.588 458 2HG MET 64 1HG MET 64 -1.646 9.756 -1.645 459 1HE MET 64 1HE MET 64 -4.772 9.102 0.009 460 2HE MET 64 2HE MET 64 -5.799 10.180 -0.931 461 3HE MET 64 3HE MET 64 -5.338 10.625 0.709 462 H LEU 65 H LEU 65 -4.765 6.732 -4.328 463 HA LEU 65 HA LEU 65 -3.308 6.867 -6.952 464 1HB LEU 65 2HB LEU 65 -5.413 5.005 -5.837 465 2HB LEU 65 1HB LEU 65 -5.000 5.047 -7.550 466 HG LEU 65 HG LEU 65 -3.120 4.440 -5.256 467 1HD1 LEU 65 1HD1 LEU 65 -3.705 2.663 -7.601 468 2HD1 LEU 65 2HD1 LEU 65 -4.860 2.741 -6.275 469 3HD1 LEU 65 3HD1 LEU 65 -3.200 2.226 -5.969 470 1HD2 LEU 65 1HD2 LEU 65 -1.870 5.677 -6.897 471 2HD2 LEU 65 2HD2 LEU 65 -2.653 4.824 -8.227 472 3HD2 LEU 65 3HD2 LEU 65 -1.512 3.974 -7.182 473 H ASP 66 H ASP 66 -4.062 8.774 -7.905 474 HA ASP 66 HA ASP 66 -6.736 9.808 -7.470 475 1HB ASP 66 2HB ASP 66 -6.012 11.543 -8.914 476 2HB ASP 66 1HB ASP 66 -4.529 11.001 -8.132 477 H ARG 67 H ARG 67 -8.298 10.110 -9.314 478 HA ARG 67 HA ARG 67 -9.377 7.825 -10.360 479 1HB ARG 67 2HB ARG 67 -10.304 9.308 -12.137 480 2HB ARG 67 1HB ARG 67 -10.360 10.050 -10.538 481 1HG ARG 67 2HG ARG 67 -8.208 11.216 -11.057 482 2HG ARG 67 1HG ARG 67 -8.294 10.564 -12.693 483 1HD ARG 67 2HD ARG 67 -9.740 12.194 -13.317 484 2HD ARG 67 1HD ARG 67 -10.820 11.805 -11.963 485 HE ARG 67 HE ARG 67 -9.780 13.520 -10.702 486 1HH1 ARG 67 1HH2 ARG 67 -8.681 13.631 -13.858 487 2HH1 ARG 67 2HH2 ARG 67 -7.214 14.483 -13.512 488 1HH2 ARG 67 2HH1 ARG 67 -7.563 14.219 -10.070 489 2HH2 ARG 67 1HH1 ARG 67 -6.581 14.817 -11.366 490 H ASP 68 H ASP 68 -6.807 9.711 -11.963 491 HA ASP 68 HA ASP 68 -6.665 7.885 -14.236 492 1HB ASP 68 2HB ASP 68 -5.590 10.433 -13.346 493 2HB ASP 68 1HB ASP 68 -4.329 9.438 -14.075 494 H GLU 69 H GLU 69 -4.897 8.287 -11.198 495 HA GLU 69 HA GLU 69 -2.771 6.425 -11.911 496 1HB GLU 69 2HB GLU 69 -3.785 7.842 -9.469 497 2HB GLU 69 1HB GLU 69 -2.596 6.552 -9.278 498 1HG GLU 69 2HG GLU 69 -1.044 7.670 -10.736 499 2HG GLU 69 1HG GLU 69 -2.253 8.871 -11.185 500 H PHE 70 H PHE 70 -5.768 6.241 -10.008 501 HA PHE 70 HA PHE 70 -5.508 3.508 -9.181 502 1HB PHE 70 2HB PHE 70 -7.081 5.371 -8.380 503 2HB PHE 70 1HB PHE 70 -8.046 5.046 -9.818 504 HD1 PHE 70 HD1 PHE 70 -7.001 3.789 -6.529 505 HD2 PHE 70 HD2 PHE 70 -9.202 2.899 -10.108 506 HE1 PHE 70 HE1 PHE 70 -8.112 1.897 -5.374 507 HE2 PHE 70 HE2 PHE 70 -10.316 1.012 -8.953 508 HZ PHE 70 HZ PHE 70 -9.771 0.510 -6.586 509 H ALA 71 H ALA 71 -6.146 4.979 -12.233 510 HA ALA 71 HA ALA 71 -7.642 2.735 -13.394 511 1HB ALA 71 1HB ALA 71 -6.076 4.846 -14.881 512 2HB ALA 71 2HB ALA 71 -7.550 5.277 -14.011 513 3HB ALA 71 3HB ALA 71 -7.615 4.104 -15.327 514 H VAL 72 H VAL 72 -4.327 3.974 -13.541 515 HA VAL 72 HA VAL 72 -3.228 2.045 -15.329 516 HB VAL 72 HB VAL 72 -1.966 3.527 -12.992 517 1HG1 VAL 72 1HG1 VAL 72 -0.902 2.028 -15.344 518 2HG1 VAL 72 2HG1 VAL 72 -0.241 2.183 -13.718 519 3HG1 VAL 72 3HG1 VAL 72 -0.066 3.505 -14.872 520 1HG2 VAL 72 1HG2 VAL 72 -3.142 5.130 -14.356 521 2HG2 VAL 72 2HG2 VAL 72 -2.568 4.371 -15.840 522 3HG2 VAL 72 3HG2 VAL 72 -1.436 5.236 -14.798 523 H ALA 73 H ALA 73 -4.008 1.937 -11.921 524 HA ALA 73 HA ALA 73 -2.467 -0.535 -11.426 525 1HB ALA 73 1HB ALA 73 -2.824 0.033 -9.215 526 2HB ALA 73 2HB ALA 73 -4.455 0.633 -9.525 527 3HB ALA 73 3HB ALA 73 -3.055 1.619 -9.953 528 H MET 74 H MET 74 -5.553 0.208 -12.678 529 HA MET 74 HA MET 74 -6.932 -2.112 -11.493 530 1HB MET 74 2HB MET 74 -7.590 -0.045 -13.614 531 2HB MET 74 1HB MET 74 -8.715 -1.317 -13.139 532 1HG MET 74 2HG MET 74 -7.499 0.256 -10.932 533 2HG MET 74 1HG MET 74 -8.671 1.103 -11.943 534 1HE MET 74 1HE MET 74 -8.607 -2.808 -10.305 535 2HE MET 74 2HE MET 74 -9.047 -1.977 -8.816 536 3HE MET 74 3HE MET 74 -7.638 -1.443 -9.730 537 H PHE 75 H PHE 75 -5.779 -1.182 -14.744 538 HA PHE 75 HA PHE 75 -6.394 -3.807 -15.854 539 1HB PHE 75 2HB PHE 75 -5.713 -2.815 -17.857 540 2HB PHE 75 1HB PHE 75 -6.134 -1.384 -16.919 541 HD1 PHE 75 HD1 PHE 75 -3.417 -3.340 -18.394 542 HD2 PHE 75 HD2 PHE 75 -4.383 0.012 -15.892 543 HE1 PHE 75 HE1 PHE 75 -1.093 -2.505 -18.618 544 HE2 PHE 75 HE2 PHE 75 -2.067 0.844 -16.117 545 HZ PHE 75 HZ PHE 75 -0.415 -0.408 -17.479 546 H LEU 76 H LEU 76 -3.803 -2.339 -14.105 547 HA LEU 76 HA LEU 76 -1.707 -4.208 -14.892 548 1HB LEU 76 2HB LEU 76 -2.149 -1.914 -13.090 549 2HB LEU 76 1HB LEU 76 -0.981 -3.089 -12.492 550 HG LEU 76 HG LEU 76 -0.890 -1.900 -15.277 551 1HD1 LEU 76 1HD1 LEU 76 1.078 -1.198 -13.136 552 2HD1 LEU 76 2HD1 LEU 76 -0.492 -0.397 -13.113 553 3HD1 LEU 76 3HD1 LEU 76 0.552 -0.252 -14.528 554 1HD2 LEU 76 1HD2 LEU 76 0.744 -3.409 -15.638 555 2HD2 LEU 76 2HD2 LEU 76 0.383 -4.131 -14.069 556 3HD2 LEU 76 3HD2 LEU 76 1.603 -2.865 -14.198 557 H VAL 77 H VAL 77 -4.371 -4.204 -12.698 558 HA VAL 77 HA VAL 77 -3.271 -6.375 -11.013 559 HB VAL 77 HB VAL 77 -5.775 -4.659 -11.064 560 1HG1 VAL 77 1HG1 VAL 77 -5.237 -7.232 -9.641 561 2HG1 VAL 77 2HG1 VAL 77 -6.769 -6.547 -10.187 562 3HG1 VAL 77 3HG1 VAL 77 -6.010 -5.946 -8.713 563 1HG2 VAL 77 1HG2 VAL 77 -3.447 -3.938 -10.145 564 2HG2 VAL 77 2HG2 VAL 77 -3.811 -5.020 -8.804 565 3HG2 VAL 77 3HG2 VAL 77 -4.868 -3.651 -9.145 566 H TYR 78 H TYR 78 -5.910 -5.851 -13.352 567 HA TYR 78 HA TYR 78 -6.918 -8.550 -13.157 568 1HB TYR 78 2HB TYR 78 -7.304 -6.113 -14.808 569 2HB TYR 78 1HB TYR 78 -7.814 -7.636 -15.540 570 HD1 TYR 78 HD1 TYR 78 -8.923 -4.984 -13.576 571 HD2 TYR 78 HD2 TYR 78 -9.038 -9.275 -13.742 572 HE1 TYR 78 HE1 TYR 78 -10.957 -4.982 -12.157 573 HE2 TYR 78 HE2 TYR 78 -11.075 -9.273 -12.324 574 HH TYR 78 HH TYR 78 -12.698 -7.985 -11.442 575 H CYS 79 H CYS 79 -4.298 -7.086 -14.946 576 HA CYS 79 HA CYS 79 -4.148 -9.241 -16.934 577 1HB CYS 79 2HB CYS 79 -3.105 -6.619 -16.519 578 2HB CYS 79 1HB CYS 79 -1.728 -7.710 -16.658 579 HG CYS 79 HG CYS 79 -3.034 -6.771 -19.015 580 H ALA 80 H ALA 80 -3.141 -8.737 -13.693 581 HA ALA 80 HA ALA 80 -0.884 -10.639 -13.848 582 1HB ALA 80 1HB ALA 80 -0.456 -8.932 -12.322 583 2HB ALA 80 2HB ALA 80 -1.152 -10.141 -11.245 584 3HB ALA 80 3HB ALA 80 -2.147 -8.809 -11.837 585 H LEU 81 H LEU 81 -4.259 -10.714 -13.495 586 HA LEU 81 HA LEU 81 -4.331 -13.147 -11.813 587 1HB LEU 81 2HB LEU 81 -6.622 -11.865 -13.295 588 2HB LEU 81 1HB LEU 81 -6.662 -12.731 -11.762 589 HG LEU 81 HG LEU 81 -5.807 -9.921 -12.337 590 1HD1 LEU 81 1HD1 LEU 81 -7.329 -9.386 -10.673 591 2HD1 LEU 81 2HD1 LEU 81 -7.105 -10.920 -9.833 592 3HD1 LEU 81 3HD1 LEU 81 -8.058 -10.858 -11.315 593 1HD2 LEU 81 1HD2 LEU 81 -4.907 -10.146 -9.824 594 2HD2 LEU 81 2HD2 LEU 81 -3.852 -10.431 -11.210 595 3HD2 LEU 81 3HD2 LEU 81 -4.577 -11.794 -10.358 596 H GLU 82 H GLU 82 -5.088 -12.142 -15.133 597 HA GLU 82 HA GLU 82 -5.904 -14.756 -16.024 598 1HB GLU 82 2HB GLU 82 -4.946 -12.234 -17.395 599 2HB GLU 82 1HB GLU 82 -5.543 -13.636 -18.282 600 1HG GLU 82 2HG GLU 82 -7.116 -12.186 -16.134 601 2HG GLU 82 1HG GLU 82 -7.311 -11.910 -17.865 602 H LYS 83 H LYS 83 -2.905 -12.894 -16.561 603 HA LYS 83 HA LYS 83 -1.150 -15.114 -16.168 604 1HB LYS 83 2HB LYS 83 -2.271 -16.075 -18.085 605 2HB LYS 83 1HB LYS 83 -2.073 -14.585 -19.005 606 1HG LYS 83 2HG LYS 83 0.056 -15.097 -19.585 607 2HG LYS 83 1HG LYS 83 0.456 -15.646 -17.957 608 1HD LYS 83 2HD LYS 83 -1.416 -17.391 -19.440 609 2HD LYS 83 1HD LYS 83 0.219 -17.315 -20.101 610 1HE LYS 83 2HE LYS 83 1.193 -18.063 -18.046 611 2HE LYS 83 1HE LYS 83 -0.326 -17.821 -17.160 612 1HZ LYS 83 1HZ LYS 83 -1.376 -19.443 -18.654 613 2HZ LYS 83 2HZ LYS 83 -0.109 -20.137 -17.760 614 3HZ LYS 83 3HZ LYS 83 0.123 -19.731 -19.393 615 H GLU 84 H GLU 84 -1.751 -12.002 -17.680 616 HA GLU 84 HA GLU 84 0.870 -11.347 -18.548 617 1HB GLU 84 2HB GLU 84 -1.524 -10.199 -18.692 618 2HB GLU 84 1HB GLU 84 -0.922 -9.301 -17.299 619 1HG GLU 84 2HG GLU 84 0.950 -9.578 -19.589 620 2HG GLU 84 1HG GLU 84 -0.446 -8.531 -19.846 621 HA PRO 85 HA PRO 85 2.780 -11.115 -14.513 622 1HB PRO 85 2HB PRO 85 5.303 -10.588 -15.438 623 2HB PRO 85 1HB PRO 85 4.595 -12.215 -15.442 624 1HG PRO 85 2HG PRO 85 4.919 -10.286 -17.675 625 2HG PRO 85 1HG PRO 85 5.034 -12.051 -17.680 626 1HD PRO 85 2HD PRO 85 2.854 -10.634 -18.571 627 2HD PRO 85 1HD PRO 85 2.798 -12.320 -18.013 628 H VAL 86 H VAL 86 3.742 -9.319 -13.256 629 HA VAL 86 HA VAL 86 3.269 -6.662 -14.564 630 HB VAL 86 HB VAL 86 3.155 -7.592 -11.680 631 1HG1 VAL 86 1HG1 VAL 86 3.904 -5.185 -12.078 632 2HG1 VAL 86 2HG1 VAL 86 2.448 -5.381 -11.102 633 3HG1 VAL 86 3HG1 VAL 86 2.316 -4.907 -12.796 634 1HG2 VAL 86 1HG2 VAL 86 1.089 -6.956 -13.791 635 2HG2 VAL 86 2HG2 VAL 86 0.695 -6.929 -12.072 636 3HG2 VAL 86 3HG2 VAL 86 1.251 -8.424 -12.826 637 HA PRO 87 HA PRO 87 7.627 -6.165 -13.717 638 1HB PRO 87 2HB PRO 87 7.991 -4.121 -15.500 639 2HB PRO 87 1HB PRO 87 7.892 -5.821 -15.995 640 1HG PRO 87 2HG PRO 87 5.963 -3.664 -16.376 641 2HG PRO 87 1HG PRO 87 6.086 -5.224 -17.197 642 1HD PRO 87 2HD PRO 87 4.309 -4.455 -15.066 643 2HD PRO 87 1HD PRO 87 4.372 -5.997 -15.951 644 H MET 88 H MET 88 8.890 -3.823 -13.457 645 HA MET 88 HA MET 88 7.152 -2.195 -11.621 646 1HB MET 88 2HB MET 88 9.872 -1.734 -11.091 647 2HB MET 88 1HB MET 88 8.746 -2.646 -10.090 648 1HG MET 88 2HG MET 88 9.316 -4.710 -11.306 649 2HG MET 88 1HG MET 88 10.395 -3.801 -12.363 650 1HE MET 88 1HE MET 88 12.649 -6.035 -10.350 651 2HE MET 88 2HE MET 88 13.011 -4.892 -11.639 652 3HE MET 88 3HE MET 88 11.543 -5.862 -11.719 653 H SER 89 H SER 89 8.297 -2.044 -14.621 654 HA SER 89 HA SER 89 9.442 0.697 -14.389 655 1HB SER 89 2HB SER 89 9.402 -1.426 -16.523 656 2HB SER 89 1HB SER 89 10.004 0.202 -16.821 657 HG SER 89 HG SER 89 10.917 -1.177 -14.566 658 H LEU 90 H LEU 90 7.765 2.114 -14.347 659 HA LEU 90 HA LEU 90 5.235 1.929 -15.590 660 1HB LEU 90 2HB LEU 90 6.968 3.928 -14.381 661 2HB LEU 90 1HB LEU 90 6.039 4.622 -15.711 662 HG LEU 90 HG LEU 90 4.793 2.934 -13.537 663 1HD1 LEU 90 1HD1 LEU 90 5.876 5.508 -13.237 664 2HD1 LEU 90 2HD1 LEU 90 4.729 4.717 -12.157 665 3HD1 LEU 90 3HD1 LEU 90 4.145 5.763 -13.450 666 1HD2 LEU 90 1HD2 LEU 90 3.243 2.958 -15.239 667 2HD2 LEU 90 2HD2 LEU 90 3.846 4.474 -15.910 668 3HD2 LEU 90 3HD2 LEU 90 2.824 4.490 -14.471 669 HA PRO 91 HA PRO 91 6.916 2.031 -19.783 670 1HB PRO 91 2HB PRO 91 4.607 1.169 -20.985 671 2HB PRO 91 1HB PRO 91 5.789 0.074 -20.240 672 1HG PRO 91 2HG PRO 91 3.198 1.060 -19.180 673 2HG PRO 91 1HG PRO 91 3.954 -0.528 -19.012 674 1HD PRO 91 2HD PRO 91 3.956 1.372 -17.044 675 2HD PRO 91 1HD PRO 91 5.199 0.113 -17.205 676 HA PRO 92 HA PRO 92 5.401 6.010 -20.879 677 1HB PRO 92 2HB PRO 92 6.137 6.027 -23.506 678 2HB PRO 92 1HB PRO 92 7.303 6.193 -22.178 679 1HG PRO 92 2HG PRO 92 6.603 3.791 -23.797 680 2HG PRO 92 1HG PRO 92 8.190 4.349 -23.242 681 1HD PRO 92 2HD PRO 92 6.835 2.345 -22.031 682 2HD PRO 92 1HD PRO 92 7.921 3.441 -21.147 683 H ALA 93 H ALA 93 4.068 3.149 -22.020 684 HA ALA 93 HA ALA 93 2.179 4.415 -23.924 685 1HB ALA 93 1HB ALA 93 2.459 2.336 -24.783 686 2HB ALA 93 2HB ALA 93 1.502 1.729 -23.432 687 3HB ALA 93 3HB ALA 93 3.260 1.783 -23.311 688 H LEU 94 H LEU 94 2.367 3.249 -20.656 689 HA LEU 94 HA LEU 94 -0.582 3.528 -20.249 690 1HB LEU 94 2HB LEU 94 0.168 1.507 -19.361 691 2HB LEU 94 1HB LEU 94 1.759 2.149 -18.992 692 HG LEU 94 HG LEU 94 0.279 1.605 -16.997 693 1HD1 LEU 94 1HD1 LEU 94 1.491 3.115 -15.820 694 2HD1 LEU 94 2HD1 LEU 94 0.850 4.482 -16.732 695 3HD1 LEU 94 3HD1 LEU 94 2.187 3.535 -17.387 696 1HD2 LEU 94 1HD2 LEU 94 -1.486 3.295 -18.466 697 2HD2 LEU 94 2HD2 LEU 94 -1.102 4.104 -16.945 698 3HD2 LEU 94 3HD2 LEU 94 -1.786 2.481 -16.932 699 H VAL 95 H VAL 95 2.423 5.143 -19.718 700 HA VAL 95 HA VAL 95 1.731 6.672 -17.373 701 HB VAL 95 HB VAL 95 3.660 7.131 -19.669 702 1HG1 VAL 95 1HG1 VAL 95 4.411 9.021 -18.650 703 2HG1 VAL 95 2HG1 VAL 95 4.211 8.339 -17.035 704 3HG1 VAL 95 3HG1 VAL 95 2.827 9.037 -17.875 705 1HG2 VAL 95 1HG2 VAL 95 5.108 5.780 -18.545 706 2HG2 VAL 95 2HG2 VAL 95 3.660 5.164 -17.747 707 3HG2 VAL 95 3HG2 VAL 95 4.627 6.421 -16.973 708 HA PRO 96 HA PRO 96 -1.086 9.504 -19.266 709 1HB PRO 96 2HB PRO 96 -1.156 11.338 -17.234 710 2HB PRO 96 1HB PRO 96 -1.987 9.772 -17.148 711 1HG PRO 96 2HG PRO 96 0.588 10.616 -15.929 712 2HG PRO 96 1HG PRO 96 -0.675 9.559 -15.282 713 1HD PRO 96 2HD PRO 96 1.674 8.656 -16.366 714 2HD PRO 96 1HD PRO 96 0.172 7.706 -16.311 715 HA PRO 97 HA PRO 97 1.399 12.704 -20.973 716 1HB PRO 97 2HB PRO 97 -0.393 14.747 -21.285 717 2HB PRO 97 1HB PRO 97 -0.413 13.286 -22.293 718 1HG PRO 97 2HG PRO 97 -2.126 14.007 -19.971 719 2HG PRO 97 1HG PRO 97 -2.551 13.165 -21.469 720 1HD PRO 97 2HD PRO 97 -2.140 11.901 -19.079 721 2HD PRO 97 1HD PRO 97 -1.900 11.129 -20.662 722 H SER 98 H SER 98 -0.163 13.170 -17.938 723 HA SER 98 HA SER 98 0.768 15.830 -17.331 724 1HB SER 98 2HB SER 98 -0.696 15.325 -15.677 725 2HB SER 98 1HB SER 98 -0.636 13.616 -16.100 726 HG SER 98 HG SER 98 0.688 15.024 -14.132 727 H LYS 99 H LYS 99 2.354 12.781 -17.535 728 HA LYS 99 HA LYS 99 4.580 13.593 -15.754 729 1HB LYS 99 2HB LYS 99 3.371 11.216 -16.345 730 2HB LYS 99 1HB LYS 99 4.746 11.165 -17.450 731 1HG LYS 99 2HG LYS 99 5.849 12.109 -15.078 732 2HG LYS 99 1HG LYS 99 4.695 10.888 -14.542 733 1HD LYS 99 2HD LYS 99 5.858 9.641 -16.693 734 2HD LYS 99 1HD LYS 99 7.213 10.561 -16.037 735 1HE LYS 99 2HE LYS 99 7.153 8.379 -14.933 736 2HE LYS 99 1HE LYS 99 6.647 9.608 -13.756 737 1HZ LYS 99 1HZ LYS 99 4.848 8.282 -13.566 738 2HZ LYS 99 2HZ LYS 99 5.066 7.563 -15.090 739 3HZ LYS 99 3HZ LYS 99 4.335 9.091 -14.965 740 H ARG 100 H ARG 100 3.673 14.369 -18.824 741 HA ARG 100 HA ARG 100 6.480 14.302 -19.882 742 1HB ARG 100 2HB ARG 100 3.840 14.629 -21.342 743 2HB ARG 100 1HB ARG 100 5.421 14.337 -22.072 744 1HG ARG 100 2HG ARG 100 5.535 12.179 -20.774 745 2HG ARG 100 1HG ARG 100 3.862 12.452 -20.287 746 1HD ARG 100 2HD ARG 100 3.381 12.696 -22.834 747 2HD ARG 100 1HD ARG 100 4.946 11.881 -23.044 748 HE ARG 100 HE ARG 100 2.634 10.725 -21.538 749 1HH1 ARG 100 1HH2 ARG 100 5.590 9.909 -20.987 750 2HH1 ARG 100 2HH2 ARG 100 5.671 8.442 -21.905 751 1HH2 ARG 100 2HH1 ARG 100 2.752 9.076 -23.670 752 2HH2 ARG 100 1HH1 ARG 100 4.063 7.971 -23.425 753 H SER 107 1H SER 107 7.406 5.802 2.587 754 HA SER 107 HA SER 107 6.106 3.720 3.032 755 1HB SER 107 2HB SER 107 4.393 5.811 4.413 756 2HB SER 107 1HB SER 107 3.922 4.134 4.153 757 HG SER 107 HG SER 107 5.175 3.554 5.744 758 H THR 108 H THR 108 6.184 3.996 0.712 759 HA THR 108 HA THR 108 4.034 5.754 -0.422 760 HB THR 108 HB THR 108 6.488 6.183 -0.941 761 HG1 THR 108 HG1 THR 108 4.700 6.752 -2.337 762 1HG2 THR 108 1HG2 THR 108 6.566 3.448 -1.258 763 2HG2 THR 108 2HG2 THR 108 7.800 4.569 -1.833 764 3HG2 THR 108 3HG2 THR 108 6.529 4.021 -2.926 765 H ASN 109 H ASN 109 4.968 2.510 0.099 766 HA ASN 109 HA ASN 109 2.907 1.595 -1.863 767 1HB ASN 109 2HB ASN 109 5.404 1.388 -2.536 768 2HB ASN 109 1HB ASN 109 5.493 0.117 -1.314 769 1HD2 ASN 109 1HD2 ASN 109 2.612 0.688 -3.335 770 2HD2 ASN 109 2HD2 ASN 109 2.736 -0.751 -4.208 771 HA PRO 110 HA PRO 110 1.810 -0.145 2.144 772 1HB PRO 110 2HB PRO 110 -0.800 -0.660 1.482 773 2HB PRO 110 1HB PRO 110 -0.224 0.936 2.001 774 1HG PRO 110 2HG PRO 110 -0.817 -0.066 -0.722 775 2HG PRO 110 1HG PRO 110 -1.078 1.537 -0.027 776 1HD PRO 110 2HD PRO 110 0.998 0.923 -1.709 777 2HD PRO 110 1HD PRO 110 1.039 2.240 -0.516 778 H PHE 111 H PHE 111 2.236 -1.555 -0.880 779 HA PHE 111 HA PHE 111 1.565 -4.268 0.190 780 1HB PHE 111 2HB PHE 111 2.111 -3.881 -2.689 781 2HB PHE 111 1HB PHE 111 0.925 -4.921 -1.919 782 HD1 PHE 111 HD1 PHE 111 1.669 -1.306 -2.538 783 HD2 PHE 111 HD2 PHE 111 -1.336 -4.326 -2.035 784 HE1 PHE 111 HE1 PHE 111 -0.077 0.345 -3.109 785 HE2 PHE 111 HE2 PHE 111 -3.069 -2.678 -2.606 786 HZ PHE 111 HZ PHE 111 -2.458 -0.339 -3.139 787 H ARG 112 HN ARG 112 3.683 -2.782 -2.242 788 HA ARG 112 HA ARG 112 6.034 -2.872 -2.510 789 1HB ARG 112 2HB ARG 112 7.120 -3.003 -0.532 790 2HB ARG 112 1HB ARG 112 5.561 -3.351 0.210 791 1HG ARG 112 2HG ARG 112 5.905 -5.733 -0.050 792 2HG ARG 112 1HG ARG 112 7.376 -5.457 -0.977 793 1HD ARG 112 2HD ARG 112 7.674 -4.008 1.454 794 2HD ARG 112 1HD ARG 112 7.110 -5.638 1.879 795 HE ARG 112 HE ARG 112 8.964 -6.452 0.286 796 1HH1 ARG 112 1HH2 ARG 112 9.393 -4.524 2.928 797 2HH1 ARG 112 2HH2 ARG 112 10.957 -3.920 2.492 798 1HH2 ARG 112 1HH1 ARG 112 10.842 -5.203 -0.729 799 2HH2 ARG 112 2HH1 ARG 112 11.777 -4.305 0.420 Start of MODEL 15 1 HA PRO 6 HA PRO 6 -2.789 5.139 -27.874 2 1HB PRO 6 2HB PRO 6 -4.975 3.757 -26.978 3 2HB PRO 6 1HB PRO 6 -4.910 4.535 -28.572 4 1HG PRO 6 2HG PRO 6 -4.569 1.674 -27.846 5 2HG PRO 6 1HG PRO 6 -5.349 2.395 -29.261 6 1HD PRO 6 2HD PRO 6 -2.836 1.301 -29.289 7 2HD PRO 6 1HD PRO 6 -3.387 2.556 -30.418 8 H TRP 7 H TRP 7 -3.585 5.081 -25.452 9 HA TRP 7 HA TRP 7 -1.518 4.042 -23.798 10 1HB TRP 7 2HB TRP 7 -2.898 5.918 -23.161 11 2HB TRP 7 1HB TRP 7 -4.366 4.950 -23.284 12 HD1 TRP 7 HD1 TRP 7 -1.373 3.326 -21.673 13 HE1 TRP 7 HE1 TRP 7 -1.789 3.078 -19.139 14 HE3 TRP 7 HE3 TRP 7 -5.613 6.124 -21.211 15 HZ2 TRP 7 HZ2 TRP 7 -3.688 3.967 -17.171 16 HZ3 TRP 7 HZ3 TRP 7 -6.701 6.412 -19.007 17 HH2 TRP 7 HH2 TRP 7 -5.747 5.336 -16.988 18 H ALA 8 H ALA 8 -1.219 2.019 -22.987 19 HA ALA 8 HA ALA 8 -2.323 -0.351 -23.710 20 1HB ALA 8 1HB ALA 8 -2.017 -0.381 -20.848 21 2HB ALA 8 2HB ALA 8 -0.824 0.715 -21.548 22 3HB ALA 8 3HB ALA 8 -0.889 -0.962 -22.081 23 H VAL 9 H VAL 9 -3.801 1.950 -21.501 24 HA VAL 9 HA VAL 9 -6.067 0.099 -20.971 25 HB VAL 9 HB VAL 9 -5.208 2.797 -19.874 26 1HG1 VAL 9 1HG1 VAL 9 -7.512 2.800 -19.465 27 2HG1 VAL 9 2HG1 VAL 9 -6.892 2.004 -18.017 28 3HG1 VAL 9 3HG1 VAL 9 -7.588 1.043 -19.323 29 1HG2 VAL 9 1HG2 VAL 9 -3.713 0.908 -19.293 30 2HG2 VAL 9 2HG2 VAL 9 -5.112 -0.019 -18.737 31 3HG2 VAL 9 3HG2 VAL 9 -4.625 1.440 -17.872 32 H LYS 10 H LYS 10 -7.985 0.349 -22.064 33 HA LYS 10 HA LYS 10 -8.219 2.480 -24.083 34 1HB LYS 10 2HB LYS 10 -9.189 -0.186 -23.551 35 2HB LYS 10 1HB LYS 10 -10.551 0.877 -23.902 36 1HG LYS 10 2HG LYS 10 -10.042 0.705 -26.089 37 2HG LYS 10 1HG LYS 10 -8.543 1.573 -25.758 38 1HD LYS 10 2HD LYS 10 -7.336 -0.288 -26.129 39 2HD LYS 10 1HD LYS 10 -8.268 -1.170 -24.919 40 1HE LYS 10 2HE LYS 10 -10.098 -1.220 -26.859 41 2HE LYS 10 1HE LYS 10 -8.660 -1.049 -27.885 42 1HZ LYS 10 1HZ LYS 10 -7.679 -2.829 -26.331 43 2HZ LYS 10 2HZ LYS 10 -8.766 -3.324 -27.539 44 3HZ LYS 10 3HZ LYS 10 -9.292 -3.167 -25.930 45 HA PRO 11 HA PRO 11 -11.176 5.033 -22.083 46 1HB PRO 11 2HB PRO 11 -13.357 5.100 -23.737 47 2HB PRO 11 1HB PRO 11 -11.827 5.915 -24.121 48 1HG PRO 11 2HG PRO 11 -12.886 3.312 -25.108 49 2HG PRO 11 1HG PRO 11 -12.001 4.573 -25.980 50 1HD PRO 11 2HD PRO 11 -10.839 2.283 -25.100 51 2HD PRO 11 1HD PRO 11 -9.956 3.817 -25.269 52 H GLU 12 H GLU 12 -12.593 1.990 -23.245 53 HA GLU 12 HA GLU 12 -14.827 2.032 -21.375 54 1HB GLU 12 2HB GLU 12 -15.292 -0.107 -22.334 55 2HB GLU 12 1HB GLU 12 -14.580 0.840 -23.639 56 1HG GLU 12 2HG GLU 12 -12.367 -0.169 -23.139 57 2HG GLU 12 1HG GLU 12 -13.122 -1.160 -21.889 58 H ASP 13 H ASP 13 -11.494 1.037 -21.265 59 HA ASP 13 HA ASP 13 -11.803 -0.720 -18.940 60 1HB ASP 13 2HB ASP 13 -9.589 0.395 -20.635 61 2HB ASP 13 1HB ASP 13 -9.190 -0.329 -19.077 62 H LYS 14 H LYS 14 -10.805 2.595 -19.629 63 HA LYS 14 HA LYS 14 -10.014 3.220 -16.912 64 1HB LYS 14 2HB LYS 14 -9.701 4.309 -19.408 65 2HB LYS 14 1HB LYS 14 -10.923 5.377 -18.717 66 1HG LYS 14 2HG LYS 14 -8.570 4.670 -17.017 67 2HG LYS 14 1HG LYS 14 -8.323 5.821 -18.331 68 1HD LYS 14 2HD LYS 14 -10.325 7.103 -17.453 69 2HD LYS 14 1HD LYS 14 -10.292 6.044 -16.042 70 1HE LYS 14 2HE LYS 14 -8.379 7.009 -15.195 71 2HE LYS 14 1HE LYS 14 -7.712 7.339 -16.807 72 1HZ LYS 14 1HZ LYS 14 -8.939 9.224 -17.043 73 2HZ LYS 14 2HZ LYS 14 -8.773 9.248 -15.353 74 3HZ LYS 14 3HZ LYS 14 -10.206 8.673 -16.061 75 H ALA 15 H ALA 15 -13.011 2.931 -18.567 76 HA ALA 15 HA ALA 15 -14.542 4.781 -16.899 77 1HB ALA 15 1HB ALA 15 -16.434 3.411 -18.043 78 2HB ALA 15 2HB ALA 15 -15.131 2.608 -18.918 79 3HB ALA 15 3HB ALA 15 -15.364 4.348 -19.087 80 H LYS 16 H LYS 16 -13.980 1.257 -17.008 81 HA LYS 16 HA LYS 16 -15.719 0.709 -14.741 82 1HB LYS 16 2HB LYS 16 -15.250 -1.472 -15.299 83 2HB LYS 16 1HB LYS 16 -14.661 -0.729 -16.782 84 1HG LYS 16 2HG LYS 16 -12.392 -0.749 -15.973 85 2HG LYS 16 1HG LYS 16 -12.918 -1.262 -14.369 86 1HD LYS 16 2HD LYS 16 -12.523 -3.370 -15.105 87 2HD LYS 16 1HD LYS 16 -14.033 -3.189 -15.998 88 1HE LYS 16 2HE LYS 16 -11.977 -1.910 -17.520 89 2HE LYS 16 1HE LYS 16 -11.406 -3.529 -17.073 90 1HZ LYS 16 1HZ LYS 16 -14.129 -2.979 -18.121 91 2HZ LYS 16 2HZ LYS 16 -13.408 -4.497 -17.872 92 3HZ LYS 16 3HZ LYS 16 -12.838 -3.475 -19.103 93 H TYR 17 H TYR 17 -12.392 1.627 -15.227 94 HA TYR 17 HA TYR 17 -11.433 0.930 -12.564 95 1HB TYR 17 2HB TYR 17 -10.438 2.906 -14.652 96 2HB TYR 17 1HB TYR 17 -9.495 2.276 -13.303 97 HD1 TYR 17 HD1 TYR 17 -8.397 1.952 -15.955 98 HD2 TYR 17 HD2 TYR 17 -11.284 -0.486 -13.914 99 HE1 TYR 17 HE1 TYR 17 -7.724 0.004 -17.333 100 HE2 TYR 17 HE2 TYR 17 -10.616 -2.432 -15.298 101 HH TYR 17 HH TYR 17 -9.456 -3.074 -17.130 102 H ASP 18 H ASP 18 -12.916 3.727 -14.118 103 HA ASP 18 HA ASP 18 -12.418 5.606 -11.960 104 1HB ASP 18 2HB ASP 18 -13.062 5.856 -14.527 105 2HB ASP 18 1HB ASP 18 -14.708 5.813 -13.894 106 H ALA 19 H ALA 19 -14.693 3.047 -12.470 107 HA ALA 19 HA ALA 19 -16.735 4.123 -10.644 108 1HB ALA 19 1HB ALA 19 -17.842 2.652 -11.983 109 2HB ALA 19 2HB ALA 19 -17.111 1.374 -11.012 110 3HB ALA 19 3HB ALA 19 -16.337 1.899 -12.507 111 H ILE 20 H ILE 20 -14.067 1.801 -10.610 112 HA ILE 20 HA ILE 20 -14.548 0.922 -7.873 113 HB ILE 20 HB ILE 20 -12.305 0.686 -9.902 114 1HG1 ILE 20 2HG1 ILE 20 -13.835 -1.643 -8.841 115 2HG1 ILE 20 1HG1 ILE 20 -14.699 -0.546 -9.920 116 1HG2 ILE 20 1HG2 ILE 20 -12.548 -0.644 -7.192 117 2HG2 ILE 20 2HG2 ILE 20 -11.387 0.612 -7.617 118 3HG2 ILE 20 3HG2 ILE 20 -11.297 -0.969 -8.391 119 1HD1 ILE 20 1HD1 ILE 20 -13.634 -2.317 -11.231 120 2HD1 ILE 20 2HD1 ILE 20 -12.069 -1.934 -10.514 121 3HD1 ILE 20 3HD1 ILE 20 -12.858 -0.772 -11.580 122 H PHE 21 H PHE 21 -12.740 3.380 -9.570 123 HA PHE 21 HA PHE 21 -11.066 4.156 -7.323 124 1HB PHE 21 2HB PHE 21 -10.100 4.776 -9.324 125 2HB PHE 21 1HB PHE 21 -11.657 4.983 -10.120 126 HD1 PHE 21 HD1 PHE 21 -8.899 6.643 -8.526 127 HD2 PHE 21 HD2 PHE 21 -13.069 7.039 -9.472 128 HE1 PHE 21 HE1 PHE 21 -8.741 9.096 -8.196 129 HE2 PHE 21 HE2 PHE 21 -12.913 9.491 -9.141 130 HZ PHE 21 HZ PHE 21 -10.749 10.520 -8.503 131 H ASP 22 H ASP 22 -14.102 5.220 -8.769 132 HA ASP 22 HA ASP 22 -14.455 7.377 -6.781 133 1HB ASP 22 2HB ASP 22 -15.053 7.754 -9.117 134 2HB ASP 22 1HB ASP 22 -16.110 6.338 -9.106 135 H SER 23 H SER 23 -14.799 4.116 -6.673 136 HA SER 23 HA SER 23 -17.430 4.059 -5.292 137 1HB SER 23 2HB SER 23 -17.284 2.117 -6.509 138 2HB SER 23 1HB SER 23 -15.524 2.174 -6.560 139 HG SER 23 HG SER 23 -17.214 0.914 -4.802 140 H LEU 24 H LEU 24 -14.258 4.759 -4.590 141 HA LEU 24 HA LEU 24 -14.451 3.769 -1.770 142 1HB LEU 24 2HB LEU 24 -11.879 4.780 -2.823 143 2HB LEU 24 1HB LEU 24 -12.212 3.323 -1.897 144 HG LEU 24 HG LEU 24 -12.845 3.639 -4.840 145 1HD1 LEU 24 1HD1 LEU 24 -10.696 1.801 -3.976 146 2HD1 LEU 24 2HD1 LEU 24 -10.320 3.512 -3.784 147 3HD1 LEU 24 3HD1 LEU 24 -10.756 2.877 -5.371 148 1HD2 LEU 24 1HD2 LEU 24 -12.444 1.000 -3.549 149 2HD2 LEU 24 2HD2 LEU 24 -13.633 1.490 -4.756 150 3HD2 LEU 24 3HD2 LEU 24 -13.893 1.876 -3.054 151 H SER 25 H SER 25 -14.805 6.462 -3.704 152 HA SER 25 HA SER 25 -15.210 8.720 -3.065 153 1HB SER 25 2HB SER 25 -13.943 8.162 -0.399 154 2HB SER 25 1HB SER 25 -15.284 9.237 -0.785 155 HG SER 25 HG SER 25 -15.514 6.883 0.175 156 HA PRO 26 HA PRO 26 -10.859 9.364 -4.192 157 1HB PRO 26 2HB PRO 26 -11.423 11.300 -6.038 158 2HB PRO 26 1HB PRO 26 -11.516 9.564 -6.399 159 1HG PRO 26 2HG PRO 26 -13.700 11.481 -5.746 160 2HG PRO 26 1HG PRO 26 -13.668 10.170 -6.937 161 1HD PRO 26 2HD PRO 26 -14.898 9.953 -4.523 162 2HD PRO 26 1HD PRO 26 -14.188 8.567 -5.378 163 H VAL 27 H VAL 27 -9.482 11.138 -3.704 164 HA VAL 27 HA VAL 27 -10.787 13.396 -2.224 165 HB VAL 27 HB VAL 27 -8.166 11.930 -1.773 166 1HG1 VAL 27 1HG1 VAL 27 -8.127 13.346 0.335 167 2HG1 VAL 27 2HG1 VAL 27 -9.418 14.311 -0.380 168 3HG1 VAL 27 3HG1 VAL 27 -7.839 14.234 -1.162 169 1HG2 VAL 27 1HG2 VAL 27 -9.353 10.589 -0.404 170 2HG2 VAL 27 2HG2 VAL 27 -10.829 11.376 -0.961 171 3HG2 VAL 27 3HG2 VAL 27 -9.986 11.989 0.463 172 H ASN 28 H ASN 28 -10.748 14.892 -3.950 173 HA ASN 28 HA ASN 28 -9.751 16.558 -5.290 174 1HB ASN 28 2HB ASN 28 -7.904 17.393 -4.264 175 2HB ASN 28 1HB ASN 28 -8.029 16.034 -3.156 176 1HD2 ASN 28 1HD2 ASN 28 -6.495 16.995 -6.269 177 2HD2 ASN 28 2HD2 ASN 28 -5.169 15.947 -6.111 178 H GLY 29 H GLY 29 -9.695 13.392 -5.759 179 1HA GLY 29 2HA GLY 29 -9.570 12.490 -8.033 180 2HA GLY 29 1HA GLY 29 -8.259 13.625 -8.365 181 H PHE 30 H PHE 30 -8.525 11.705 -5.431 182 HA PHE 30 HA PHE 30 -6.405 9.846 -6.352 183 1HB PHE 30 2HB PHE 30 -6.184 11.929 -4.184 184 2HB PHE 30 1HB PHE 30 -5.092 10.539 -4.271 185 HD1 PHE 30 HD1 PHE 30 -6.074 13.708 -5.795 186 HD2 PHE 30 HD2 PHE 30 -3.636 10.207 -6.225 187 HE1 PHE 30 HE1 PHE 30 -4.769 14.845 -7.557 188 HE2 PHE 30 HE2 PHE 30 -2.315 11.346 -7.996 189 HZ PHE 30 HZ PHE 30 -2.880 13.669 -8.662 190 H LEU 31 H LEU 31 -6.244 7.974 -5.099 191 HA LEU 31 HA LEU 31 -8.327 7.630 -2.953 192 1HB LEU 31 2HB LEU 31 -7.211 5.802 -5.084 193 2HB LEU 31 1HB LEU 31 -8.019 5.161 -3.655 194 HG LEU 31 HG LEU 31 -9.208 7.033 -5.711 195 1HD1 LEU 31 1HD1 LEU 31 -9.478 4.979 -6.677 196 2HD1 LEU 31 2HD1 LEU 31 -10.794 4.827 -5.509 197 3HD1 LEU 31 3HD1 LEU 31 -9.211 4.129 -5.152 198 1HD2 LEU 31 1HD2 LEU 31 -10.162 6.061 -3.015 199 2HD2 LEU 31 2HD2 LEU 31 -11.316 6.470 -4.288 200 3HD2 LEU 31 3HD2 LEU 31 -10.207 7.698 -3.673 201 H SER 32 H SER 32 -7.472 6.979 -0.979 202 HA SER 32 HA SER 32 -4.565 6.807 -0.722 203 1HB SER 32 2HB SER 32 -6.263 5.970 1.535 204 2HB SER 32 1HB SER 32 -5.042 7.239 1.467 205 HG SER 32 HG SER 32 -7.007 8.232 1.690 206 H GLY 33 H GLY 33 -3.363 4.924 -0.295 207 1HA GLY 33 2HA GLY 33 -4.036 2.493 -1.432 208 2HA GLY 33 1HA GLY 33 -2.969 2.599 -0.028 209 H ASP 34 H ASP 34 -5.128 3.819 1.594 210 HA ASP 34 HA ASP 34 -6.165 1.548 2.912 211 1HB ASP 34 2HB ASP 34 -7.096 4.419 2.653 212 2HB ASP 34 1HB ASP 34 -7.841 3.279 3.774 213 H LYS 35 H LYS 35 -7.259 3.197 0.017 214 HA LYS 35 HA LYS 35 -9.780 1.603 -0.016 215 1HB LYS 35 2HB LYS 35 -8.789 3.930 -1.694 216 2HB LYS 35 1HB LYS 35 -10.414 3.249 -1.733 217 1HG LYS 35 2HG LYS 35 -11.037 4.422 0.092 218 2HG LYS 35 1HG LYS 35 -9.599 3.913 0.980 219 1HD LYS 35 2HD LYS 35 -8.593 5.893 0.619 220 2HD LYS 35 1HD LYS 35 -8.891 5.780 -1.116 221 1HE LYS 35 2HE LYS 35 -10.239 7.602 -0.714 222 2HE LYS 35 1HE LYS 35 -11.405 6.363 -0.209 223 1HZ LYS 35 1HZ LYS 35 -10.650 6.520 2.028 224 2HZ LYS 35 2HZ LYS 35 -10.973 8.102 1.502 225 3HZ LYS 35 3HZ LYS 35 -9.370 7.546 1.600 226 H VAL 36 H VAL 36 -6.754 2.252 -1.695 227 HA VAL 36 HA VAL 36 -7.412 0.489 -3.956 228 HB VAL 36 HB VAL 36 -4.877 1.866 -3.042 229 1HG1 VAL 36 1HG1 VAL 36 -4.933 -0.202 -4.727 230 2HG1 VAL 36 2HG1 VAL 36 -3.877 1.180 -5.009 231 3HG1 VAL 36 3HG1 VAL 36 -5.411 1.052 -5.868 232 1HG2 VAL 36 1HG2 VAL 36 -5.524 3.698 -4.314 233 2HG2 VAL 36 2HG2 VAL 36 -7.102 3.145 -3.754 234 3HG2 VAL 36 3HG2 VAL 36 -6.547 2.731 -5.377 235 H LYS 37 H LYS 37 -5.185 0.405 -1.158 236 HA LYS 37 HA LYS 37 -3.785 -1.927 -1.589 237 1HB LYS 37 2HB LYS 37 -3.413 -0.593 0.361 238 2HB LYS 37 1HB LYS 37 -5.072 -0.815 0.913 239 1HG LYS 37 2HG LYS 37 -4.675 -2.931 1.712 240 2HG LYS 37 1HG LYS 37 -3.448 -3.274 0.492 241 1HD LYS 37 2HD LYS 37 -1.767 -2.474 1.787 242 2HD LYS 37 1HD LYS 37 -2.724 -1.104 2.351 243 1HE LYS 37 2HE LYS 37 -3.955 -2.617 3.896 244 2HE LYS 37 1HE LYS 37 -2.924 -3.962 3.367 245 1HZ LYS 37 1HZ LYS 37 -1.016 -2.335 3.883 246 2HZ LYS 37 2HZ LYS 37 -1.774 -3.129 5.180 247 3HZ LYS 37 3HZ LYS 37 -2.161 -1.513 4.827 248 HA PRO 38 HA PRO 38 -7.378 -4.642 0.112 249 1HB PRO 38 2HB PRO 38 -9.866 -3.487 0.162 250 2HB PRO 38 1HB PRO 38 -8.767 -3.479 1.557 251 1HG PRO 38 2HG PRO 38 -9.283 -1.339 -0.459 252 2HG PRO 38 1HG PRO 38 -9.096 -1.208 1.298 253 1HD PRO 38 2HD PRO 38 -7.104 -0.580 -0.389 254 2HD PRO 38 1HD PRO 38 -6.798 -1.314 1.201 255 H VAL 39 H VAL 39 -8.122 -2.154 -2.267 256 HA VAL 39 HA VAL 39 -9.843 -3.665 -3.984 257 HB VAL 39 HB VAL 39 -8.117 -1.229 -4.059 258 1HG1 VAL 39 1HG1 VAL 39 -8.737 -0.882 -6.483 259 2HG1 VAL 39 2HG1 VAL 39 -9.196 -2.584 -6.542 260 3HG1 VAL 39 3HG1 VAL 39 -7.524 -2.132 -6.209 261 1HG2 VAL 39 1HG2 VAL 39 -10.676 -1.590 -3.433 262 2HG2 VAL 39 2HG2 VAL 39 -10.882 -1.435 -5.178 263 3HG2 VAL 39 3HG2 VAL 39 -10.139 -0.126 -4.258 264 H LEU 40 H LEU 40 -6.319 -3.397 -3.721 265 HA LEU 40 HA LEU 40 -5.837 -5.027 -6.123 266 1HB LEU 40 2HB LEU 40 -4.003 -4.024 -3.925 267 2HB LEU 40 1HB LEU 40 -3.513 -4.566 -5.532 268 HG LEU 40 HG LEU 40 -5.408 -2.259 -5.039 269 1HD1 LEU 40 1HD1 LEU 40 -3.203 -1.106 -6.056 270 2HD1 LEU 40 2HD1 LEU 40 -2.445 -2.427 -5.163 271 3HD1 LEU 40 3HD1 LEU 40 -3.483 -1.275 -4.325 272 1HD2 LEU 40 1HD2 LEU 40 -4.992 -3.808 -7.278 273 2HD2 LEU 40 2HD2 LEU 40 -3.894 -2.451 -7.539 274 3HD2 LEU 40 3HD2 LEU 40 -5.616 -2.157 -7.284 275 H LEU 41 H LEU 41 -6.027 -5.460 -2.644 276 HA LEU 41 HA LEU 41 -4.701 -8.042 -2.590 277 1HB LEU 41 2HB LEU 41 -6.574 -6.555 -0.728 278 2HB LEU 41 1HB LEU 41 -5.784 -8.074 -0.304 279 HG LEU 41 HG LEU 41 -4.212 -5.689 -1.266 280 1HD1 LEU 41 1HD1 LEU 41 -3.884 -5.013 1.020 281 2HD1 LEU 41 2HD1 LEU 41 -4.741 -6.431 1.622 282 3HD1 LEU 41 3HD1 LEU 41 -5.626 -5.160 0.777 283 1HD2 LEU 41 1HD2 LEU 41 -2.960 -7.430 0.667 284 2HD2 LEU 41 2HD2 LEU 41 -2.473 -7.101 -0.996 285 3HD2 LEU 41 3HD2 LEU 41 -3.625 -8.393 -0.653 286 H ASN 42 H ASN 42 -7.731 -6.938 -3.672 287 HA ASN 42 HA ASN 42 -9.167 -9.430 -3.051 288 1HB ASN 42 2HB ASN 42 -10.370 -7.353 -2.885 289 2HB ASN 42 1HB ASN 42 -9.822 -6.841 -4.481 290 1HD2 ASN 42 1HD2 ASN 42 -11.765 -6.790 -5.673 291 2HD2 ASN 42 2HD2 ASN 42 -12.821 -8.110 -5.828 292 H SER 43 H SER 43 -7.008 -8.409 -5.399 293 HA SER 43 HA SER 43 -8.231 -9.723 -7.725 294 1HB SER 43 2HB SER 43 -5.366 -9.001 -7.706 295 2HB SER 43 1HB SER 43 -6.636 -8.524 -8.832 296 HG SER 43 HG SER 43 -5.654 -7.226 -6.660 297 H LYS 44 H LYS 44 -7.122 -11.090 -5.039 298 HA LYS 44 HA LYS 44 -6.205 -13.215 -4.558 299 1HB LYS 44 2HB LYS 44 -7.247 -13.241 -7.308 300 2HB LYS 44 1HB LYS 44 -6.008 -14.463 -7.017 301 1HG LYS 44 2HG LYS 44 -7.871 -14.301 -4.790 302 2HG LYS 44 1HG LYS 44 -8.711 -14.637 -6.304 303 1HD LYS 44 2HD LYS 44 -6.995 -16.446 -6.743 304 2HD LYS 44 1HD LYS 44 -6.416 -16.198 -5.095 305 1HE LYS 44 2HE LYS 44 -9.192 -16.425 -4.807 306 2HE LYS 44 1HE LYS 44 -8.765 -17.666 -6.002 307 1HZ LYS 44 1HZ LYS 44 -8.192 -18.788 -4.129 308 2HZ LYS 44 2HZ LYS 44 -7.885 -17.379 -3.231 309 3HZ LYS 44 3HZ LYS 44 -6.738 -17.943 -4.350 310 H LEU 45 H LEU 45 -4.594 -10.813 -5.884 311 HA LEU 45 HA LEU 45 -2.169 -12.314 -6.761 312 1HB LEU 45 2HB LEU 45 -3.265 -9.531 -6.962 313 2HB LEU 45 1HB LEU 45 -1.520 -9.760 -7.093 314 HG LEU 45 HG LEU 45 -3.562 -11.278 -8.740 315 1HD1 LEU 45 1HD1 LEU 45 -3.666 -8.985 -9.437 316 2HD1 LEU 45 2HD1 LEU 45 -2.637 -9.814 -10.606 317 3HD1 LEU 45 3HD1 LEU 45 -1.913 -8.812 -9.348 318 1HD2 LEU 45 1HD2 LEU 45 -1.015 -12.012 -8.158 319 2HD2 LEU 45 2HD2 LEU 45 -0.715 -10.968 -9.548 320 3HD2 LEU 45 3HD2 LEU 45 -1.782 -12.361 -9.708 321 HA PRO 46 HA PRO 46 -0.236 -11.638 -2.889 322 1HB PRO 46 2HB PRO 46 2.388 -11.693 -3.657 323 2HB PRO 46 1HB PRO 46 1.368 -13.143 -3.599 324 1HG PRO 46 2HG PRO 46 2.239 -11.540 -5.927 325 2HG PRO 46 1HG PRO 46 1.945 -13.278 -5.794 326 1HD PRO 46 2HD PRO 46 0.207 -11.451 -6.929 327 2HD PRO 46 1HD PRO 46 -0.246 -13.063 -6.345 328 H VAL 47 H VAL 47 1.472 -10.087 -1.868 329 HA VAL 47 HA VAL 47 0.832 -7.369 -2.603 330 HB VAL 47 HB VAL 47 2.218 -8.903 -0.527 331 1HG1 VAL 47 1HG1 VAL 47 3.679 -7.077 0.257 332 2HG1 VAL 47 2HG1 VAL 47 3.300 -6.151 -1.195 333 3HG1 VAL 47 3HG1 VAL 47 4.191 -7.667 -1.323 334 1HG2 VAL 47 1HG2 VAL 47 0.904 -6.175 -0.512 335 2HG2 VAL 47 2HG2 VAL 47 1.253 -7.173 0.901 336 3HG2 VAL 47 3HG2 VAL 47 0.059 -7.707 -0.283 337 H ASP 48 H ASP 48 2.968 -9.617 -3.916 338 HA ASP 48 HA ASP 48 5.191 -7.849 -4.515 339 1HB ASP 48 2HB ASP 48 4.239 -10.559 -5.470 340 2HB ASP 48 1HB ASP 48 5.706 -9.808 -6.095 341 H ILE 49 H ILE 49 2.168 -8.784 -6.024 342 HA ILE 49 HA ILE 49 2.847 -7.404 -8.542 343 HB ILE 49 HB ILE 49 0.125 -8.412 -7.725 344 1HG1 ILE 49 2HG1 ILE 49 1.662 -10.202 -7.074 345 2HG1 ILE 49 1HG1 ILE 49 0.812 -10.665 -8.547 346 1HG2 ILE 49 1HG2 ILE 49 1.362 -7.431 -10.088 347 2HG2 ILE 49 2HG2 ILE 49 -0.284 -8.034 -9.898 348 3HG2 ILE 49 3HG2 ILE 49 1.013 -9.140 -10.351 349 1HD1 ILE 49 1HD1 ILE 49 3.266 -11.131 -8.629 350 2HD1 ILE 49 2HD1 ILE 49 3.557 -9.395 -8.505 351 3HD1 ILE 49 3HD1 ILE 49 2.716 -10.051 -9.911 352 H LEU 50 H LEU 50 0.811 -7.019 -5.688 353 HA LEU 50 HA LEU 50 -0.383 -4.510 -6.589 354 1HB LEU 50 2HB LEU 50 -0.151 -5.569 -3.767 355 2HB LEU 50 1HB LEU 50 -1.431 -4.568 -4.446 356 HG LEU 50 HG LEU 50 -0.852 -7.461 -5.152 357 1HD1 LEU 50 1HD1 LEU 50 -3.098 -6.092 -3.650 358 2HD1 LEU 50 2HD1 LEU 50 -1.954 -7.275 -3.014 359 3HD1 LEU 50 3HD1 LEU 50 -3.165 -7.767 -4.200 360 1HD2 LEU 50 1HD2 LEU 50 -3.358 -6.577 -6.149 361 2HD2 LEU 50 2HD2 LEU 50 -1.941 -7.054 -7.085 362 3HD2 LEU 50 3HD2 LEU 50 -2.169 -5.366 -6.630 363 H GLY 51 H GLY 51 2.464 -5.566 -4.852 364 1HA GLY 51 2HA GLY 51 3.099 -2.987 -3.672 365 2HA GLY 51 1HA GLY 51 4.224 -4.334 -3.870 366 H ARG 52 H ARG 52 3.516 -4.559 -6.713 367 HA ARG 52 HA ARG 52 5.278 -2.399 -7.754 368 1HB ARG 52 2HB ARG 52 5.215 -5.157 -8.001 369 2HB ARG 52 1HB ARG 52 4.485 -4.608 -9.508 370 1HG ARG 52 2HG ARG 52 6.399 -3.216 -10.002 371 2HG ARG 52 1HG ARG 52 7.103 -3.553 -8.421 372 1HD ARG 52 2HD ARG 52 6.463 -5.969 -10.002 373 2HD ARG 52 1HD ARG 52 7.746 -4.949 -10.683 374 HE ARG 52 HE ARG 52 9.063 -5.352 -8.736 375 1HH1 ARG 52 1HH2 ARG 52 7.389 -7.988 -8.972 376 2HH1 ARG 52 2HH2 ARG 52 7.015 -8.245 -7.301 377 1HH2 ARG 52 2HH1 ARG 52 7.922 -5.041 -6.333 378 2HH2 ARG 52 1HH1 ARG 52 7.317 -6.577 -5.807 379 H VAL 53 H VAL 53 2.044 -3.809 -8.063 380 HA VAL 53 HA VAL 53 1.366 -2.375 -10.495 381 HB VAL 53 HB VAL 53 -0.149 -3.811 -8.308 382 1HG1 VAL 53 1HG1 VAL 53 -2.077 -2.820 -8.913 383 2HG1 VAL 53 2HG1 VAL 53 -1.813 -3.327 -10.583 384 3HG1 VAL 53 3HG1 VAL 53 -1.192 -1.774 -10.026 385 1HG2 VAL 53 1HG2 VAL 53 0.041 -5.589 -9.700 386 2HG2 VAL 53 2HG2 VAL 53 1.206 -4.631 -10.612 387 3HG2 VAL 53 3HG2 VAL 53 -0.493 -4.644 -11.093 388 H TRP 54 H TRP 54 0.955 -1.748 -7.001 389 HA TRP 54 HA TRP 54 -0.561 0.678 -7.310 390 1HB TRP 54 2HB TRP 54 -0.523 -0.213 -5.124 391 2HB TRP 54 1HB TRP 54 1.217 -0.515 -5.178 392 HD1 TRP 54 HD1 TRP 54 2.825 1.704 -5.146 393 HE1 TRP 54 HE1 TRP 54 2.478 3.982 -4.021 394 HE3 TRP 54 HE3 TRP 54 -2.207 1.505 -4.278 395 HZ2 TRP 54 HZ2 TRP 54 0.361 5.516 -2.865 396 HZ3 TRP 54 HZ3 TRP 54 -3.357 3.406 -3.145 397 HH2 TRP 54 HH2 TRP 54 -2.079 5.387 -2.446 398 H GLU 55 H GLU 55 2.951 0.098 -6.816 399 HA GLU 55 HA GLU 55 3.828 2.765 -6.920 400 1HB GLU 55 2HB GLU 55 5.099 0.238 -8.012 401 2HB GLU 55 1HB GLU 55 5.965 1.731 -7.641 402 1HG GLU 55 2HG GLU 55 4.247 0.543 -5.506 403 2HG GLU 55 1HG GLU 55 5.791 -0.236 -5.855 404 H LEU 56 H LEU 56 3.724 0.498 -9.677 405 HA LEU 56 HA LEU 56 4.297 2.392 -11.712 406 1HB LEU 56 2HB LEU 56 2.540 -0.089 -11.741 407 2HB LEU 56 1HB LEU 56 3.265 0.666 -13.160 408 HG LEU 56 HG LEU 56 5.019 -0.123 -10.855 409 1HD1 LEU 56 1HD1 LEU 56 5.093 -2.358 -11.428 410 2HD1 LEU 56 2HD1 LEU 56 4.593 -2.057 -13.093 411 3HD1 LEU 56 3HD1 LEU 56 3.401 -2.023 -11.794 412 1HD2 LEU 56 1HD2 LEU 56 6.243 1.046 -12.461 413 2HD2 LEU 56 2HD2 LEU 56 5.281 0.415 -13.795 414 3HD2 LEU 56 3HD2 LEU 56 6.473 -0.616 -13.003 415 H SER 57 H SER 57 1.460 1.870 -9.798 416 HA SER 57 HA SER 57 -0.334 3.381 -11.608 417 1HB SER 57 2HB SER 57 -0.634 2.149 -8.848 418 2HB SER 57 1HB SER 57 -1.950 2.894 -9.749 419 HG SER 57 HG SER 57 -1.142 1.328 -11.476 420 H ASP 58 H ASP 58 1.402 3.717 -8.542 421 HA ASP 58 HA ASP 58 0.352 6.396 -7.969 422 1HB ASP 58 2HB ASP 58 1.057 4.486 -6.367 423 2HB ASP 58 1HB ASP 58 2.709 5.007 -6.697 424 H ILE 59 H ILE 59 1.313 6.840 -10.370 425 HA ILE 59 HA ILE 59 4.099 7.217 -10.756 426 HB ILE 59 HB ILE 59 1.633 8.608 -11.828 427 1HG1 ILE 59 2HG1 ILE 59 3.364 6.665 -13.321 428 2HG1 ILE 59 1HG1 ILE 59 2.248 6.043 -12.105 429 1HG2 ILE 59 1HG2 ILE 59 3.521 8.876 -13.776 430 2HG2 ILE 59 2HG2 ILE 59 4.518 9.056 -12.332 431 3HG2 ILE 59 3HG2 ILE 59 3.149 10.136 -12.599 432 1HD1 ILE 59 1HD1 ILE 59 1.679 7.029 -14.779 433 2HD1 ILE 59 2HD1 ILE 59 0.745 7.905 -13.564 434 3HD1 ILE 59 3HD1 ILE 59 0.629 6.147 -13.669 435 H ASP 60 H ASP 60 1.842 9.005 -8.817 436 HA ASP 60 HA ASP 60 3.567 11.416 -8.716 437 1HB ASP 60 2HB ASP 60 1.067 10.755 -7.139 438 2HB ASP 60 1HB ASP 60 1.716 12.353 -7.499 439 H HIS 61 H HIS 61 2.972 8.479 -6.961 440 HA HIS 61 HA HIS 61 3.995 7.606 -5.019 441 1HB HIS 61 2HB HIS 61 5.787 9.647 -6.156 442 2HB HIS 61 1HB HIS 61 6.083 9.271 -4.459 443 HD1 HIS 61 HD1 HIS 61 6.943 6.914 -3.882 444 HD2 HIS 61 HD2 HIS 61 6.191 7.439 -7.948 445 HE1 HIS 61 HE1 HIS 61 7.935 4.903 -5.060 446 H ASP 62 H ASP 62 1.828 9.617 -4.765 447 HA ASP 62 HA ASP 62 2.612 11.164 -2.349 448 1HB ASP 62 2HB ASP 62 0.502 12.293 -2.736 449 2HB ASP 62 1HB ASP 62 1.303 12.114 -4.296 450 H GLY 63 H GLY 63 1.478 8.095 -3.038 451 1HA GLY 63 2HA GLY 63 0.876 6.469 -1.379 452 2HA GLY 63 1HA GLY 63 0.454 7.783 -0.282 453 H MET 64 H MET 64 -0.705 7.847 -3.579 454 HA MET 64 HA MET 64 -3.306 6.684 -2.845 455 1HB MET 64 2HB MET 64 -3.416 9.456 -3.947 456 2HB MET 64 1HB MET 64 -4.531 8.639 -2.854 457 1HG MET 64 2HG MET 64 -2.889 8.850 -1.023 458 2HG MET 64 1HG MET 64 -1.785 9.683 -2.116 459 1HE MET 64 1HE MET 64 -5.054 9.774 -0.076 460 2HE MET 64 2HE MET 64 -5.632 9.713 -1.738 461 3HE MET 64 3HE MET 64 -5.925 11.152 -0.764 462 H LEU 65 H LEU 65 -4.756 6.531 -4.766 463 HA LEU 65 HA LEU 65 -3.204 6.598 -7.337 464 1HB LEU 65 2HB LEU 65 -5.200 4.700 -6.121 465 2HB LEU 65 1HB LEU 65 -4.983 4.751 -7.870 466 HG LEU 65 HG LEU 65 -2.839 4.207 -5.798 467 1HD1 LEU 65 1HD1 LEU 65 -4.645 2.462 -6.776 468 2HD1 LEU 65 2HD1 LEU 65 -2.983 2.000 -6.408 469 3HD1 LEU 65 3HD1 LEU 65 -3.447 2.379 -8.066 470 1HD2 LEU 65 1HD2 LEU 65 -1.511 3.741 -7.996 471 2HD2 LEU 65 2HD2 LEU 65 -1.706 5.414 -7.474 472 3HD2 LEU 65 3HD2 LEU 65 -2.726 4.766 -8.759 473 H ASP 66 H ASP 66 -3.951 8.379 -8.470 474 HA ASP 66 HA ASP 66 -6.584 9.515 -8.126 475 1HB ASP 66 2HB ASP 66 -4.860 10.962 -8.803 476 2HB ASP 66 1HB ASP 66 -4.268 9.835 -10.019 477 H ARG 67 H ARG 67 -8.000 9.842 -10.127 478 HA ARG 67 HA ARG 67 -9.200 7.455 -10.974 479 1HB ARG 67 2HB ARG 67 -10.160 8.919 -12.770 480 2HB ARG 67 1HB ARG 67 -10.220 9.651 -11.166 481 1HG ARG 67 2HG ARG 67 -8.112 10.874 -11.678 482 2HG ARG 67 1HG ARG 67 -8.143 10.197 -13.306 483 1HD ARG 67 2HD ARG 67 -9.393 12.008 -13.884 484 2HD ARG 67 1HD ARG 67 -10.712 11.268 -12.954 485 HE ARG 67 HE ARG 67 -9.090 12.486 -11.039 486 1HH1 ARG 67 1HH2 ARG 67 -11.788 13.159 -12.838 487 2HH1 ARG 67 2HH2 ARG 67 -11.662 14.884 -12.746 488 1HH2 ARG 67 2HH1 ARG 67 -8.481 14.845 -11.367 489 2HH2 ARG 67 1HH1 ARG 67 -9.791 15.837 -11.913 490 H ASP 68 H ASP 68 -6.639 9.303 -12.620 491 HA ASP 68 HA ASP 68 -6.526 7.450 -14.890 492 1HB ASP 68 2HB ASP 68 -5.575 10.047 -14.137 493 2HB ASP 68 1HB ASP 68 -4.185 9.074 -14.621 494 H GLU 69 H GLU 69 -4.716 8.016 -11.906 495 HA GLU 69 HA GLU 69 -2.606 6.103 -12.474 496 1HB GLU 69 2HB GLU 69 -3.718 7.339 -9.937 497 2HB GLU 69 1HB GLU 69 -2.202 6.446 -10.021 498 1HG GLU 69 2HG GLU 69 -1.457 8.062 -11.812 499 2HG GLU 69 1HG GLU 69 -2.893 9.019 -11.448 500 H PHE 70 H PHE 70 -5.544 6.051 -10.456 501 HA PHE 70 HA PHE 70 -5.398 3.383 -9.541 502 1HB PHE 70 2HB PHE 70 -6.974 5.338 -8.958 503 2HB PHE 70 1HB PHE 70 -7.905 4.864 -10.379 504 HD1 PHE 70 HD1 PHE 70 -7.313 4.248 -6.896 505 HD2 PHE 70 HD2 PHE 70 -8.679 2.396 -10.524 506 HE1 PHE 70 HE1 PHE 70 -8.449 2.490 -5.570 507 HE2 PHE 70 HE2 PHE 70 -9.816 0.639 -9.194 508 HZ PHE 70 HZ PHE 70 -9.704 0.689 -6.720 509 H ALA 71 H ALA 71 -6.237 4.716 -12.685 510 HA ALA 71 HA ALA 71 -7.617 2.412 -13.740 511 1HB ALA 71 1HB ALA 71 -5.981 4.584 -15.093 512 2HB ALA 71 2HB ALA 71 -7.690 4.711 -14.671 513 3HB ALA 71 3HB ALA 71 -7.165 3.549 -15.890 514 H VAL 72 H VAL 72 -4.253 3.529 -14.087 515 HA VAL 72 HA VAL 72 -3.261 1.363 -15.619 516 HB VAL 72 HB VAL 72 -1.914 3.024 -13.459 517 1HG1 VAL 72 1HG1 VAL 72 0.081 2.170 -14.124 518 2HG1 VAL 72 2HG1 VAL 72 -0.388 2.141 -15.826 519 3HG1 VAL 72 3HG1 VAL 72 -0.888 0.835 -14.751 520 1HG2 VAL 72 1HG2 VAL 72 -3.148 4.214 -15.397 521 2HG2 VAL 72 2HG2 VAL 72 -1.891 3.542 -16.436 522 3HG2 VAL 72 3HG2 VAL 72 -1.458 4.646 -15.128 523 H ALA 73 H ALA 73 -4.131 1.579 -12.255 524 HA ALA 73 HA ALA 73 -2.638 -0.851 -11.496 525 1HB ALA 73 1HB ALA 73 -3.254 1.417 -10.211 526 2HB ALA 73 2HB ALA 73 -3.054 -0.114 -9.352 527 3HB ALA 73 3HB ALA 73 -4.674 0.462 -9.755 528 H MET 74 H MET 74 -5.645 -0.254 -12.968 529 HA MET 74 HA MET 74 -7.027 -2.467 -11.571 530 1HB MET 74 2HB MET 74 -7.836 -0.724 -13.920 531 2HB MET 74 1HB MET 74 -8.908 -1.793 -13.025 532 1HG MET 74 2HG MET 74 -7.990 0.913 -12.363 533 2HG MET 74 1HG MET 74 -9.397 0.039 -11.786 534 1HE MET 74 1HE MET 74 -9.148 -1.501 -9.105 535 2HE MET 74 2HE MET 74 -7.733 -2.492 -9.452 536 3HE MET 74 3HE MET 74 -8.917 -2.181 -10.722 537 H PHE 75 H PHE 75 -5.674 -1.778 -14.791 538 HA PHE 75 HA PHE 75 -6.382 -4.471 -15.726 539 1HB PHE 75 2HB PHE 75 -5.572 -3.699 -17.803 540 2HB PHE 75 1HB PHE 75 -6.206 -2.239 -17.049 541 HD1 PHE 75 HD1 PHE 75 -3.053 -4.221 -17.395 542 HD2 PHE 75 HD2 PHE 75 -4.849 -0.369 -16.812 543 HE1 PHE 75 HE1 PHE 75 -0.827 -3.155 -17.572 544 HE2 PHE 75 HE2 PHE 75 -2.621 0.694 -17.011 545 HZ PHE 75 HZ PHE 75 -0.614 -0.692 -17.374 546 H LEU 76 H LEU 76 -3.755 -2.864 -14.132 547 HA LEU 76 HA LEU 76 -1.689 -4.841 -14.737 548 1HB LEU 76 2HB LEU 76 -2.072 -2.361 -13.203 549 2HB LEU 76 1HB LEU 76 -0.967 -3.497 -12.436 550 HG LEU 76 HG LEU 76 -0.761 -2.671 -15.335 551 1HD1 LEU 76 1HD1 LEU 76 0.775 -1.019 -14.781 552 2HD1 LEU 76 2HD1 LEU 76 1.133 -1.737 -13.209 553 3HD1 LEU 76 3HD1 LEU 76 -0.382 -0.869 -13.458 554 1HD2 LEU 76 1HD2 LEU 76 0.717 -4.368 -15.420 555 2HD2 LEU 76 2HD2 LEU 76 0.482 -4.693 -13.702 556 3HD2 LEU 76 3HD2 LEU 76 1.698 -3.526 -14.219 557 H VAL 77 H VAL 77 -4.285 -4.484 -12.458 558 HA VAL 77 HA VAL 77 -3.232 -6.575 -10.647 559 HB VAL 77 HB VAL 77 -5.592 -4.685 -10.739 560 1HG1 VAL 77 1HG1 VAL 77 -5.124 -6.905 -8.720 561 2HG1 VAL 77 2HG1 VAL 77 -6.414 -6.881 -9.922 562 3HG1 VAL 77 3HG1 VAL 77 -6.388 -5.678 -8.633 563 1HG2 VAL 77 1HG2 VAL 77 -3.918 -4.975 -8.327 564 2HG2 VAL 77 2HG2 VAL 77 -4.415 -3.517 -9.187 565 3HG2 VAL 77 3HG2 VAL 77 -3.035 -4.451 -9.758 566 H TYR 78 H TYR 78 -6.053 -6.025 -12.775 567 HA TYR 78 HA TYR 78 -7.129 -8.674 -12.430 568 1HB TYR 78 2HB TYR 78 -7.586 -6.252 -14.067 569 2HB TYR 78 1HB TYR 78 -8.161 -7.761 -14.781 570 HD1 TYR 78 HD1 TYR 78 -9.242 -5.109 -12.898 571 HD2 TYR 78 HD2 TYR 78 -9.170 -9.402 -12.766 572 HE1 TYR 78 HE1 TYR 78 -11.190 -5.092 -11.364 573 HE2 TYR 78 HE2 TYR 78 -11.122 -9.386 -11.234 574 HH TYR 78 HH TYR 78 -12.318 -8.019 -9.799 575 H CYS 79 H CYS 79 -4.918 -7.219 -14.775 576 HA CYS 79 HA CYS 79 -4.841 -9.638 -16.443 577 1HB CYS 79 2HB CYS 79 -4.525 -7.081 -17.010 578 2HB CYS 79 1HB CYS 79 -2.861 -7.379 -16.508 579 HG CYS 79 HG CYS 79 -2.593 -8.214 -18.838 580 H ALA 80 H ALA 80 -3.440 -8.643 -13.511 581 HA ALA 80 HA ALA 80 -0.897 -10.119 -13.938 582 1HB ALA 80 1HB ALA 80 -0.770 -9.347 -11.404 583 2HB ALA 80 2HB ALA 80 -2.116 -8.308 -11.876 584 3HB ALA 80 3HB ALA 80 -0.560 -8.167 -12.697 585 H LEU 81 H LEU 81 -3.986 -10.388 -12.390 586 HA LEU 81 HA LEU 81 -3.300 -12.834 -10.893 587 1HB LEU 81 2HB LEU 81 -5.200 -12.282 -9.715 588 2HB LEU 81 1HB LEU 81 -4.777 -10.695 -10.356 589 HG LEU 81 HG LEU 81 -6.236 -11.590 -12.410 590 1HD1 LEU 81 1HD1 LEU 81 -6.502 -13.670 -10.748 591 2HD1 LEU 81 2HD1 LEU 81 -7.792 -13.180 -11.853 592 3HD1 LEU 81 3HD1 LEU 81 -7.844 -12.684 -10.159 593 1HD2 LEU 81 1HD2 LEU 81 -7.998 -10.207 -11.522 594 2HD2 LEU 81 2HD2 LEU 81 -6.461 -9.530 -10.970 595 3HD2 LEU 81 3HD2 LEU 81 -7.455 -10.490 -9.865 596 H GLU 82 H GLU 82 -4.882 -11.903 -13.877 597 HA GLU 82 HA GLU 82 -6.369 -14.356 -14.263 598 1HB GLU 82 2HB GLU 82 -6.394 -11.891 -15.339 599 2HB GLU 82 1HB GLU 82 -5.410 -12.709 -16.552 600 1HG GLU 82 2HG GLU 82 -8.006 -13.901 -15.583 601 2HG GLU 82 1HG GLU 82 -7.971 -12.725 -16.898 602 H LYS 83 H LYS 83 -3.430 -13.122 -15.885 603 HA LYS 83 HA LYS 83 -1.976 -15.586 -15.684 604 1HB LYS 83 2HB LYS 83 -3.749 -16.459 -17.077 605 2HB LYS 83 1HB LYS 83 -3.615 -15.093 -18.185 606 1HG LYS 83 2HG LYS 83 -1.024 -16.194 -18.015 607 2HG LYS 83 1HG LYS 83 -2.119 -17.567 -18.170 608 1HD LYS 83 2HD LYS 83 -3.229 -16.033 -20.033 609 2HD LYS 83 1HD LYS 83 -1.615 -15.322 -20.082 610 1HE LYS 83 2HE LYS 83 -1.384 -17.061 -21.635 611 2HE LYS 83 1HE LYS 83 -0.861 -17.878 -20.148 612 1HZ LYS 83 1HZ LYS 83 -3.241 -18.465 -19.786 613 2HZ LYS 83 2HZ LYS 83 -2.540 -19.224 -21.134 614 3HZ LYS 83 3HZ LYS 83 -3.578 -17.895 -21.347 615 H GLU 84 H GLU 84 -0.925 -13.162 -15.281 616 HA GLU 84 HA GLU 84 1.045 -12.883 -17.427 617 1HB GLU 84 2HB GLU 84 -1.317 -11.595 -17.826 618 2HB GLU 84 1HB GLU 84 -0.423 -10.354 -16.946 619 1HG GLU 84 2HG GLU 84 1.348 -11.526 -18.855 620 2HG GLU 84 1HG GLU 84 -0.149 -11.103 -19.687 621 HA PRO 85 HA PRO 85 3.140 -11.424 -13.812 622 1HB PRO 85 2HB PRO 85 5.537 -10.886 -15.000 623 2HB PRO 85 1HB PRO 85 4.988 -12.537 -14.659 624 1HG PRO 85 2HG PRO 85 5.055 -11.061 -17.223 625 2HG PRO 85 1HG PRO 85 5.254 -12.789 -16.906 626 1HD PRO 85 2HD PRO 85 2.948 -11.576 -17.878 627 2HD PRO 85 1HD PRO 85 3.039 -13.194 -17.148 628 H VAL 86 H VAL 86 4.427 -9.385 -13.196 629 HA VAL 86 HA VAL 86 3.412 -7.023 -14.744 630 HB VAL 86 HB VAL 86 3.947 -7.574 -11.813 631 1HG1 VAL 86 1HG1 VAL 86 3.670 -5.277 -11.297 632 2HG1 VAL 86 2HG1 VAL 86 3.112 -4.894 -12.925 633 3HG1 VAL 86 3HG1 VAL 86 4.807 -5.289 -12.644 634 1HG2 VAL 86 1HG2 VAL 86 1.745 -8.108 -12.037 635 2HG2 VAL 86 2HG2 VAL 86 1.600 -7.255 -13.574 636 3HG2 VAL 86 3HG2 VAL 86 1.501 -6.361 -12.058 637 HA PRO 87 HA PRO 87 7.686 -6.061 -15.176 638 1HB PRO 87 2HB PRO 87 7.476 -3.446 -15.955 639 2HB PRO 87 1HB PRO 87 7.046 -4.808 -17.006 640 1HG PRO 87 2HG PRO 87 5.310 -2.883 -15.655 641 2HG PRO 87 1HG PRO 87 4.975 -3.931 -17.038 642 1HD PRO 87 2HD PRO 87 4.217 -4.307 -14.306 643 2HD PRO 87 1HD PRO 87 3.871 -5.365 -15.692 644 H MET 88 H MET 88 9.041 -3.740 -14.611 645 HA MET 88 HA MET 88 8.489 -3.339 -11.687 646 1HB MET 88 2HB MET 88 11.088 -3.514 -13.231 647 2HB MET 88 1HB MET 88 10.963 -3.220 -11.497 648 1HG MET 88 2HG MET 88 10.432 -5.392 -11.033 649 2HG MET 88 1HG MET 88 9.464 -5.570 -12.494 650 1HE MET 88 1HE MET 88 12.804 -6.020 -10.744 651 2HE MET 88 2HE MET 88 13.332 -7.404 -11.699 652 3HE MET 88 3HE MET 88 11.739 -7.419 -10.949 653 H SER 89 H SER 89 8.139 -1.673 -14.461 654 HA SER 89 HA SER 89 8.482 0.891 -13.129 655 1HB SER 89 2HB SER 89 10.634 -0.318 -14.605 656 2HB SER 89 1HB SER 89 10.159 1.197 -15.363 657 HG SER 89 HG SER 89 11.749 1.365 -13.630 658 H LEU 90 H LEU 90 6.634 -0.725 -14.830 659 HA LEU 90 HA LEU 90 4.955 -0.275 -16.441 660 1HB LEU 90 2HB LEU 90 5.703 2.108 -15.000 661 2HB LEU 90 1HB LEU 90 5.216 2.536 -16.640 662 HG LEU 90 HG LEU 90 3.577 0.639 -14.967 663 1HD1 LEU 90 1HD1 LEU 90 2.142 2.780 -14.609 664 2HD1 LEU 90 2HD1 LEU 90 3.636 3.652 -14.949 665 3HD1 LEU 90 3HD1 LEU 90 3.554 2.544 -13.581 666 1HD2 LEU 90 1HD2 LEU 90 3.174 2.319 -17.438 667 2HD2 LEU 90 2HD2 LEU 90 1.800 1.729 -16.502 668 3HD2 LEU 90 3HD2 LEU 90 2.926 0.586 -17.231 669 HA PRO 91 HA PRO 91 7.481 -0.010 -20.134 670 1HB PRO 91 2HB PRO 91 5.490 -0.821 -21.844 671 2HB PRO 91 1HB PRO 91 6.437 -1.947 -20.852 672 1HG PRO 91 2HG PRO 91 3.715 -0.846 -20.383 673 2HG PRO 91 1HG PRO 91 4.325 -2.483 -20.113 674 1HD PRO 91 2HD PRO 91 3.987 -0.689 -18.111 675 2HD PRO 91 1HD PRO 91 5.248 -1.942 -18.080 676 HA PRO 92 HA PRO 92 6.311 3.818 -21.907 677 1HB PRO 92 2HB PRO 92 6.519 3.474 -24.615 678 2HB PRO 92 1HB PRO 92 7.921 3.567 -23.531 679 1HG PRO 92 2HG PRO 92 6.612 1.180 -24.733 680 2HG PRO 92 1HG PRO 92 8.330 1.511 -24.464 681 1HD PRO 92 2HD PRO 92 6.849 -0.120 -22.863 682 2HD PRO 92 1HD PRO 92 8.264 0.789 -22.292 683 H ALA 93 H ALA 93 4.400 1.091 -23.041 684 HA ALA 93 HA ALA 93 2.358 2.872 -24.251 685 1HB ALA 93 1HB ALA 93 1.455 0.201 -24.066 686 2HB ALA 93 2HB ALA 93 3.192 0.103 -24.378 687 3HB ALA 93 3HB ALA 93 2.147 0.993 -25.486 688 H LEU 94 H LEU 94 3.084 1.778 -21.153 689 HA LEU 94 HA LEU 94 0.208 1.642 -20.343 690 1HB LEU 94 2HB LEU 94 2.822 0.740 -19.108 691 2HB LEU 94 1HB LEU 94 1.289 0.666 -18.251 692 HG LEU 94 HG LEU 94 2.125 -1.455 -19.481 693 1HD1 LEU 94 1HD1 LEU 94 0.041 -1.823 -18.729 694 2HD1 LEU 94 2HD1 LEU 94 -0.402 -1.657 -20.420 695 3HD1 LEU 94 3HD1 LEU 94 -0.587 -0.282 -19.325 696 1HD2 LEU 94 1HD2 LEU 94 2.573 -0.202 -21.649 697 2HD2 LEU 94 2HD2 LEU 94 0.827 -0.085 -21.842 698 3HD2 LEU 94 3HD2 LEU 94 1.600 -1.664 -21.810 699 H VAL 95 H VAL 95 2.334 4.024 -20.723 700 HA VAL 95 HA VAL 95 1.675 5.339 -18.102 701 HB VAL 95 HB VAL 95 4.024 5.919 -19.929 702 1HG1 VAL 95 1HG1 VAL 95 4.954 6.762 -17.715 703 2HG1 VAL 95 2HG1 VAL 95 3.332 6.563 -17.054 704 3HG1 VAL 95 3HG1 VAL 95 3.613 7.696 -18.375 705 1HG2 VAL 95 1HG2 VAL 95 3.738 3.488 -18.793 706 2HG2 VAL 95 2HG2 VAL 95 4.395 4.362 -17.413 707 3HG2 VAL 95 3HG2 VAL 95 5.303 4.288 -18.921 708 HA PRO 96 HA PRO 96 -0.460 8.289 -20.604 709 1HB PRO 96 2HB PRO 96 -0.592 10.325 -18.777 710 2HB PRO 96 1HB PRO 96 -1.613 8.874 -18.686 711 1HG PRO 96 2HG PRO 96 0.868 9.541 -17.181 712 2HG PRO 96 1HG PRO 96 -0.608 8.736 -16.625 713 1HD PRO 96 2HD PRO 96 1.686 7.403 -17.233 714 2HD PRO 96 1HD PRO 96 0.068 6.684 -17.387 715 HA PRO 97 HA PRO 97 2.477 11.117 -22.229 716 1HB PRO 97 2HB PRO 97 1.065 13.435 -22.584 717 2HB PRO 97 1HB PRO 97 0.823 11.990 -23.589 718 1HG PRO 97 2HG PRO 97 -0.788 12.989 -21.290 719 2HG PRO 97 1HG PRO 97 -1.324 12.251 -22.809 720 1HD PRO 97 2HD PRO 97 -1.205 10.896 -20.450 721 2HD PRO 97 1HD PRO 97 -1.012 10.116 -22.035 722 H SER 98 H SER 98 1.309 11.585 -19.121 723 HA SER 98 HA SER 98 2.626 14.169 -18.622 724 1HB SER 98 2HB SER 98 1.952 13.459 -16.218 725 2HB SER 98 1HB SER 98 0.650 13.735 -17.372 726 HG SER 98 HG SER 98 0.515 11.731 -16.161 727 H LYS 99 H LYS 99 3.313 10.754 -18.269 728 HA LYS 99 HA LYS 99 5.845 11.336 -16.814 729 1HB LYS 99 2HB LYS 99 3.888 9.311 -16.796 730 2HB LYS 99 1HB LYS 99 5.309 8.573 -17.534 731 1HG LYS 99 2HG LYS 99 6.684 9.388 -15.621 732 2HG LYS 99 1HG LYS 99 5.216 10.012 -14.867 733 1HD LYS 99 2HD LYS 99 5.411 7.913 -13.860 734 2HD LYS 99 1HD LYS 99 4.327 7.567 -15.208 735 1HE LYS 99 2HE LYS 99 5.815 6.011 -15.915 736 2HE LYS 99 1HE LYS 99 6.968 7.323 -16.227 737 1HZ LYS 99 1HZ LYS 99 7.929 7.105 -14.175 738 2HZ LYS 99 2HZ LYS 99 7.516 5.483 -14.469 739 3HZ LYS 99 3HZ LYS 99 6.541 6.441 -13.459 740 H ARG 100 H ARG 100 5.022 11.723 -19.842 741 HA ARG 100 HA ARG 100 6.596 9.932 -21.413 742 1HB ARG 100 2HB ARG 100 5.155 12.468 -21.661 743 2HB ARG 100 1HB ARG 100 6.532 12.355 -22.758 744 1HG ARG 100 2HG ARG 100 4.244 11.417 -23.564 745 2HG ARG 100 1HG ARG 100 5.683 10.434 -23.824 746 1HD ARG 100 2HD ARG 100 5.151 8.988 -21.992 747 2HD ARG 100 1HD ARG 100 3.934 10.116 -21.369 748 HE ARG 100 HE ARG 100 2.457 9.450 -23.141 749 1HH1 ARG 100 1HH2 ARG 100 5.664 8.499 -23.853 750 2HH1 ARG 100 2HH2 ARG 100 5.202 7.138 -24.819 751 1HH2 ARG 100 2HH1 ARG 100 1.814 7.489 -24.169 752 2HH2 ARG 100 1HH1 ARG 100 3.023 6.566 -24.998 753 H SER 107 1H SER 107 6.402 4.833 5.862 754 HA SER 107 HA SER 107 6.772 2.902 4.374 755 1HB SER 107 2HB SER 107 4.206 3.678 5.711 756 2HB SER 107 1HB SER 107 4.273 2.134 4.865 757 HG SER 107 HG SER 107 6.091 3.034 6.858 758 H THR 108 H THR 108 7.031 3.925 2.139 759 HA THR 108 HA THR 108 4.765 4.563 0.495 760 HB THR 108 HB THR 108 6.782 3.679 -1.185 761 HG1 THR 108 HG1 THR 108 8.550 4.803 0.226 762 1HG2 THR 108 1HG2 THR 108 5.709 5.876 -1.261 763 2HG2 THR 108 2HG2 THR 108 7.461 6.069 -1.217 764 3HG2 THR 108 3HG2 THR 108 6.508 6.339 0.241 765 H ASN 109 H ASN 109 3.673 3.254 -1.049 766 HA ASN 109 HA ASN 109 2.748 1.262 -1.911 767 1HB ASN 109 2HB ASN 109 5.253 1.137 -2.475 768 2HB ASN 109 1HB ASN 109 5.392 0.030 -1.107 769 1HD2 ASN 109 1HD2 ASN 109 2.801 0.366 -3.577 770 2HD2 ASN 109 2HD2 ASN 109 2.893 -1.234 -4.121 771 HA PRO 110 HA PRO 110 1.600 -0.084 2.314 772 1HB PRO 110 2HB PRO 110 -1.055 -0.360 1.684 773 2HB PRO 110 1HB PRO 110 -0.324 1.191 2.144 774 1HG PRO 110 2HG PRO 110 -0.941 0.126 -0.575 775 2HG PRO 110 1HG PRO 110 -1.190 1.754 0.080 776 1HD PRO 110 2HD PRO 110 0.891 1.165 -1.525 777 2HD PRO 110 1HD PRO 110 1.014 2.357 -0.213 778 H PHE 111 H PHE 111 2.113 -1.735 -0.494 779 HA PHE 111 HA PHE 111 0.593 -4.172 0.287 780 1HB PHE 111 2HB PHE 111 2.320 -3.671 -2.153 781 2HB PHE 111 1HB PHE 111 1.054 -4.886 -1.966 782 HD1 PHE 111 HD1 PHE 111 1.694 -1.226 -2.163 783 HD2 PHE 111 HD2 PHE 111 -1.259 -4.346 -2.338 784 HE1 PHE 111 HE1 PHE 111 0.002 0.410 -2.924 785 HE2 PHE 111 HE2 PHE 111 -2.941 -2.700 -3.097 786 HZ PHE 111 HZ PHE 111 -2.310 -0.322 -3.385 787 H ARG 112 HN ARG 112 3.929 -3.210 -0.560 788 HA ARG 112 HA ARG 112 5.261 -5.616 -0.002 789 1HB ARG 112 2HB ARG 112 5.854 -2.719 -0.034 790 2HB ARG 112 1HB ARG 112 6.986 -3.690 0.909 791 1HG ARG 112 2HG ARG 112 7.532 -5.058 -0.962 792 2HG ARG 112 1HG ARG 112 6.160 -4.459 -1.893 793 1HD ARG 112 2HD ARG 112 7.707 -2.185 -1.139 794 2HD ARG 112 1HD ARG 112 8.821 -3.395 -1.809 795 HE ARG 112 HE ARG 112 6.320 -3.063 -3.317 796 1HH1 ARG 112 1HH2 ARG 112 9.459 -1.780 -2.758 797 2HH1 ARG 112 2HH2 ARG 112 9.743 -1.384 -4.419 798 1HH2 ARG 112 1HH1 ARG 112 6.738 -2.717 -5.526 799 2HH2 ARG 112 2HH1 ARG 112 8.202 -1.914 -5.988 Start of MODEL 16 1 HA PRO 6 HA PRO 6 -2.321 6.225 -27.340 2 1HB PRO 6 2HB PRO 6 -4.415 4.575 -26.719 3 2HB PRO 6 1HB PRO 6 -4.237 5.355 -28.304 4 1HG PRO 6 2HG PRO 6 -3.629 2.559 -27.493 5 2HG PRO 6 1HG PRO 6 -4.308 3.174 -29.007 6 1HD PRO 6 2HD PRO 6 -1.695 2.417 -28.701 7 2HD PRO 6 1HD PRO 6 -2.251 3.601 -29.905 8 H TRP 7 H TRP 7 -3.695 5.693 -25.066 9 HA TRP 7 HA TRP 7 -1.644 5.111 -23.115 10 1HB TRP 7 2HB TRP 7 -3.549 6.686 -22.838 11 2HB TRP 7 1HB TRP 7 -4.665 5.322 -22.874 12 HD1 TRP 7 HD1 TRP 7 -1.462 4.587 -21.150 13 HE1 TRP 7 HE1 TRP 7 -1.814 4.521 -18.596 14 HE3 TRP 7 HE3 TRP 7 -6.162 6.548 -20.866 15 HZ2 TRP 7 HZ2 TRP 7 -3.828 5.212 -16.686 16 HZ3 TRP 7 HZ3 TRP 7 -7.274 6.835 -18.670 17 HH2 TRP 7 HH2 TRP 7 -6.115 6.170 -16.582 18 H ALA 8 H ALA 8 -1.047 3.096 -22.389 19 HA ALA 8 HA ALA 8 -1.873 0.625 -23.300 20 1HB ALA 8 1HB ALA 8 0.015 1.003 -21.783 21 2HB ALA 8 2HB ALA 8 -1.061 -0.208 -21.079 22 3HB ALA 8 3HB ALA 8 -1.097 1.452 -20.484 23 H VAL 9 H VAL 9 -3.554 2.709 -21.031 24 HA VAL 9 HA VAL 9 -5.566 0.609 -20.419 25 HB VAL 9 HB VAL 9 -4.857 3.362 -19.407 26 1HG1 VAL 9 1HG1 VAL 9 -7.084 3.736 -19.111 27 2HG1 VAL 9 2HG1 VAL 9 -6.926 2.581 -17.788 28 3HG1 VAL 9 3HG1 VAL 9 -7.498 2.041 -19.365 29 1HG2 VAL 9 1HG2 VAL 9 -3.630 1.616 -18.350 30 2HG2 VAL 9 2HG2 VAL 9 -5.049 0.573 -18.255 31 3HG2 VAL 9 3HG2 VAL 9 -4.933 2.000 -17.225 32 H LYS 10 H LYS 10 -7.517 0.577 -21.512 33 HA LYS 10 HA LYS 10 -8.003 2.622 -23.585 34 1HB LYS 10 2HB LYS 10 -8.900 -0.116 -22.846 35 2HB LYS 10 1HB LYS 10 -10.067 0.872 -23.727 36 1HG LYS 10 2HG LYS 10 -8.567 -0.493 -25.218 37 2HG LYS 10 1HG LYS 10 -8.484 1.243 -25.525 38 1HD LYS 10 2HD LYS 10 -6.391 1.458 -24.469 39 2HD LYS 10 1HD LYS 10 -6.571 -0.067 -23.601 40 1HE LYS 10 2HE LYS 10 -6.513 -0.070 -26.614 41 2HE LYS 10 1HE LYS 10 -4.996 -0.013 -25.693 42 1HZ LYS 10 1HZ LYS 10 -7.182 -1.997 -25.335 43 2HZ LYS 10 2HZ LYS 10 -5.768 -1.915 -24.394 44 3HZ LYS 10 3HZ LYS 10 -5.673 -2.303 -26.047 45 HA PRO 11 HA PRO 11 -11.180 4.856 -21.544 46 1HB PRO 11 2HB PRO 11 -13.280 4.811 -23.312 47 2HB PRO 11 1HB PRO 11 -11.822 5.794 -23.562 48 1HG PRO 11 2HG PRO 11 -12.539 3.139 -24.720 49 2HG PRO 11 1HG PRO 11 -11.794 4.542 -25.502 50 1HD PRO 11 2HD PRO 11 -10.347 2.409 -24.725 51 2HD PRO 11 1HD PRO 11 -9.693 4.062 -24.674 52 H GLU 12 H GLU 12 -12.197 1.753 -22.903 53 HA GLU 12 HA GLU 12 -14.518 1.466 -21.143 54 1HB GLU 12 2HB GLU 12 -13.081 -0.771 -22.569 55 2HB GLU 12 1HB GLU 12 -14.814 -0.559 -22.316 56 1HG GLU 12 2HG GLU 12 -14.426 1.619 -23.776 57 2HG GLU 12 1HG GLU 12 -13.022 0.717 -24.347 58 H ASP 13 H ASP 13 -11.117 0.603 -21.096 59 HA ASP 13 HA ASP 13 -11.348 -1.228 -18.820 60 1HB ASP 13 2HB ASP 13 -9.260 -0.109 -20.625 61 2HB ASP 13 1HB ASP 13 -8.715 -0.635 -19.030 62 H LYS 14 H LYS 14 -10.533 2.152 -19.406 63 HA LYS 14 HA LYS 14 -9.676 2.674 -16.668 64 1HB LYS 14 2HB LYS 14 -9.037 3.880 -18.850 65 2HB LYS 14 1HB LYS 14 -10.622 4.647 -18.754 66 1HG LYS 14 2HG LYS 14 -9.555 4.926 -16.183 67 2HG LYS 14 1HG LYS 14 -8.201 5.257 -17.265 68 1HD LYS 14 2HD LYS 14 -9.491 6.934 -18.456 69 2HD LYS 14 1HD LYS 14 -10.938 6.531 -17.534 70 1HE LYS 14 2HE LYS 14 -10.313 7.911 -15.850 71 2HE LYS 14 1HE LYS 14 -8.714 7.146 -15.756 72 1HZ LYS 14 1HZ LYS 14 -9.433 8.966 -17.974 73 2HZ LYS 14 2HZ LYS 14 -7.886 8.484 -17.461 74 3HZ LYS 14 3HZ LYS 14 -8.798 9.565 -16.519 75 H ALA 15 H ALA 15 -12.664 2.439 -18.347 76 HA ALA 15 HA ALA 15 -14.239 4.188 -16.628 77 1HB ALA 15 1HB ALA 15 -14.767 2.036 -18.682 78 2HB ALA 15 2HB ALA 15 -15.078 3.767 -18.807 79 3HB ALA 15 3HB ALA 15 -16.094 2.761 -17.775 80 H LYS 16 H LYS 16 -13.462 0.727 -16.765 81 HA LYS 16 HA LYS 16 -15.195 0.047 -14.518 82 1HB LYS 16 2HB LYS 16 -14.585 -2.107 -15.079 83 2HB LYS 16 1HB LYS 16 -14.147 -1.306 -16.585 84 1HG LYS 16 2HG LYS 16 -11.831 -1.095 -15.830 85 2HG LYS 16 1HG LYS 16 -12.255 -1.828 -14.284 86 1HD LYS 16 2HD LYS 16 -12.952 -3.327 -16.772 87 2HD LYS 16 1HD LYS 16 -11.260 -3.299 -16.278 88 1HE LYS 16 2HE LYS 16 -11.728 -4.925 -14.770 89 2HE LYS 16 1HE LYS 16 -12.802 -3.789 -13.929 90 1HZ LYS 16 1HZ LYS 16 -14.122 -5.623 -14.644 91 2HZ LYS 16 2HZ LYS 16 -13.490 -5.551 -16.218 92 3HZ LYS 16 3HZ LYS 16 -14.501 -4.310 -15.648 93 H TYR 17 H TYR 17 -11.976 1.224 -14.994 94 HA TYR 17 HA TYR 17 -10.928 0.477 -12.368 95 1HB TYR 17 2HB TYR 17 -10.077 2.541 -14.434 96 2HB TYR 17 1HB TYR 17 -9.091 1.982 -13.086 97 HD1 TYR 17 HD1 TYR 17 -7.898 1.721 -15.665 98 HD2 TYR 17 HD2 TYR 17 -10.739 -0.880 -13.771 99 HE1 TYR 17 HE1 TYR 17 -7.064 -0.175 -17.030 100 HE2 TYR 17 HE2 TYR 17 -9.913 -2.776 -15.139 101 HH TYR 17 HH TYR 17 -7.673 -2.306 -17.775 102 H ASP 18 H ASP 18 -12.498 3.260 -13.870 103 HA ASP 18 HA ASP 18 -12.111 5.093 -11.657 104 1HB ASP 18 2HB ASP 18 -12.581 5.744 -14.000 105 2HB ASP 18 1HB ASP 18 -14.167 4.979 -13.895 106 H ALA 19 H ALA 19 -14.308 2.467 -12.256 107 HA ALA 19 HA ALA 19 -16.353 3.397 -10.358 108 1HB ALA 19 1HB ALA 19 -15.780 0.968 -12.044 109 2HB ALA 19 2HB ALA 19 -17.204 2.009 -12.050 110 3HB ALA 19 3HB ALA 19 -16.969 0.845 -10.747 111 H ILE 20 H ILE 20 -13.513 1.320 -10.411 112 HA ILE 20 HA ILE 20 -13.941 0.237 -7.735 113 HB ILE 20 HB ILE 20 -11.673 0.305 -9.747 114 1HG1 ILE 20 2HG1 ILE 20 -13.312 -2.038 -8.746 115 2HG1 ILE 20 1HG1 ILE 20 -13.780 -1.083 -10.154 116 1HG2 ILE 20 1HG2 ILE 20 -10.399 -1.115 -8.331 117 2HG2 ILE 20 2HG2 ILE 20 -11.755 -1.359 -7.230 118 3HG2 ILE 20 3HG2 ILE 20 -10.946 0.206 -7.300 119 1HD1 ILE 20 1HD1 ILE 20 -10.994 -2.192 -9.975 120 2HD1 ILE 20 2HD1 ILE 20 -11.936 -1.780 -11.408 121 3HD1 ILE 20 3HD1 ILE 20 -12.316 -3.238 -10.489 122 H PHE 21 H PHE 21 -12.290 2.919 -9.278 123 HA PHE 21 HA PHE 21 -10.701 3.705 -6.990 124 1HB PHE 21 2HB PHE 21 -9.811 4.593 -8.907 125 2HB PHE 21 1HB PHE 21 -11.370 4.621 -9.723 126 HD1 PHE 21 HD1 PHE 21 -8.863 6.582 -8.091 127 HD2 PHE 21 HD2 PHE 21 -13.068 6.428 -8.955 128 HE1 PHE 21 HE1 PHE 21 -9.035 9.022 -7.685 129 HE2 PHE 21 HE2 PHE 21 -13.241 8.867 -8.546 130 HZ PHE 21 HZ PHE 21 -11.226 10.165 -7.911 131 H ASP 22 H ASP 22 -13.884 4.518 -8.266 132 HA ASP 22 HA ASP 22 -14.374 6.510 -6.130 133 1HB ASP 22 2HB ASP 22 -15.166 7.094 -8.282 134 2HB ASP 22 1HB ASP 22 -15.826 5.482 -8.569 135 H SER 23 H SER 23 -14.532 3.179 -6.417 136 HA SER 23 HA SER 23 -17.051 2.746 -4.964 137 1HB SER 23 2HB SER 23 -16.468 1.006 -6.436 138 2HB SER 23 1HB SER 23 -14.757 1.108 -6.029 139 HG SER 23 HG SER 23 -16.749 0.332 -4.168 140 H LEU 24 H LEU 24 -13.813 3.539 -4.244 141 HA LEU 24 HA LEU 24 -13.885 2.433 -1.496 142 1HB LEU 24 2HB LEU 24 -11.779 4.194 -2.747 143 2HB LEU 24 1HB LEU 24 -11.574 2.964 -1.503 144 HG LEU 24 HG LEU 24 -12.476 2.268 -4.301 145 1HD1 LEU 24 1HD1 LEU 24 -9.722 1.612 -3.781 146 2HD1 LEU 24 2HD1 LEU 24 -9.965 3.340 -3.553 147 3HD1 LEU 24 3HD1 LEU 24 -10.392 2.586 -5.090 148 1HD2 LEU 24 1HD2 LEU 24 -12.092 0.073 -3.661 149 2HD2 LEU 24 2HD2 LEU 24 -12.558 0.756 -2.102 150 3HD2 LEU 24 3HD2 LEU 24 -10.853 0.529 -2.492 151 H SER 25 H SER 25 -13.341 5.537 -3.124 152 HA SER 25 HA SER 25 -14.980 7.396 -2.156 153 1HB SER 25 2HB SER 25 -13.376 6.335 0.154 154 2HB SER 25 1HB SER 25 -13.844 8.032 0.145 155 HG SER 25 HG SER 25 -15.688 5.943 -0.346 156 HA PRO 26 HA PRO 26 -11.161 9.124 -3.892 157 1HB PRO 26 2HB PRO 26 -12.435 10.926 -5.502 158 2HB PRO 26 1HB PRO 26 -12.190 9.228 -5.961 159 1HG PRO 26 2HG PRO 26 -14.621 10.572 -4.902 160 2HG PRO 26 1HG PRO 26 -14.476 9.303 -6.127 161 1HD PRO 26 2HD PRO 26 -15.221 8.842 -3.527 162 2HD PRO 26 1HD PRO 26 -14.446 7.627 -4.567 163 H VAL 27 H VAL 27 -10.157 11.140 -3.433 164 HA VAL 27 HA VAL 27 -11.732 12.996 -1.677 165 HB VAL 27 HB VAL 27 -8.796 12.214 -1.625 166 1HG1 VAL 27 1HG1 VAL 27 -8.484 13.726 0.118 167 2HG1 VAL 27 2HG1 VAL 27 -10.197 13.752 0.538 168 3HG1 VAL 27 3HG1 VAL 27 -9.626 14.614 -0.891 169 1HG2 VAL 27 1HG2 VAL 27 -9.396 10.564 -0.209 170 2HG2 VAL 27 2HG2 VAL 27 -11.082 10.912 -0.591 171 3HG2 VAL 27 3HG2 VAL 27 -10.309 11.699 0.786 172 H ASN 28 H ASN 28 -12.255 14.234 -3.645 173 HA ASN 28 HA ASN 28 -11.875 16.147 -4.971 174 1HB ASN 28 2HB ASN 28 -10.375 17.564 -4.014 175 2HB ASN 28 1HB ASN 28 -10.065 16.270 -2.863 176 1HD2 ASN 28 1HD2 ASN 28 -8.956 17.428 -6.097 177 2HD2 ASN 28 2HD2 ASN 28 -7.350 16.915 -5.891 178 H GLY 29 H GLY 29 -10.593 13.167 -5.326 179 1HA GLY 29 2HA GLY 29 -10.365 12.510 -7.767 180 2HA GLY 29 1HA GLY 29 -9.244 13.866 -7.901 181 H PHE 30 H PHE 30 -9.311 11.806 -5.056 182 HA PHE 30 HA PHE 30 -6.917 10.322 -6.010 183 1HB PHE 30 2HB PHE 30 -7.019 12.262 -3.694 184 2HB PHE 30 1HB PHE 30 -5.709 11.093 -3.916 185 HD1 PHE 30 HD1 PHE 30 -7.157 14.234 -5.009 186 HD2 PHE 30 HD2 PHE 30 -4.351 11.153 -6.027 187 HE1 PHE 30 HE1 PHE 30 -6.105 15.745 -6.657 188 HE2 PHE 30 HE2 PHE 30 -3.279 12.674 -7.673 189 HZ PHE 30 HZ PHE 30 -4.158 14.973 -7.991 190 H LEU 31 H LEU 31 -6.423 8.489 -4.799 191 HA LEU 31 HA LEU 31 -8.417 7.688 -2.699 192 1HB LEU 31 2HB LEU 31 -7.093 6.221 -4.983 193 2HB LEU 31 1HB LEU 31 -7.653 5.330 -3.571 194 HG LEU 31 HG LEU 31 -9.293 6.949 -5.522 195 1HD1 LEU 31 1HD1 LEU 31 -8.835 4.123 -4.808 196 2HD1 LEU 31 2HD1 LEU 31 -9.378 4.822 -6.336 197 3HD1 LEU 31 3HD1 LEU 31 -10.529 4.557 -5.024 198 1HD2 LEU 31 1HD2 LEU 31 -10.175 7.615 -3.394 199 2HD2 LEU 31 2HD2 LEU 31 -9.981 5.992 -2.728 200 3HD2 LEU 31 3HD2 LEU 31 -11.218 6.305 -3.949 201 H SER 32 H SER 32 -7.418 6.445 -0.932 202 HA SER 32 HA SER 32 -4.522 7.055 -0.672 203 1HB SER 32 2HB SER 32 -5.237 6.135 1.741 204 2HB SER 32 1HB SER 32 -5.585 7.791 1.248 205 HG SER 32 HG SER 32 -7.343 6.238 2.084 206 H GLY 33 H GLY 33 -2.990 5.430 -0.458 207 1HA GLY 33 2HA GLY 33 -3.250 2.964 -1.659 208 2HA GLY 33 1HA GLY 33 -2.165 3.209 -0.292 209 H ASP 34 H ASP 34 -4.466 3.882 1.481 210 HA ASP 34 HA ASP 34 -5.008 1.251 2.520 211 1HB ASP 34 2HB ASP 34 -6.414 3.896 3.015 212 2HB ASP 34 1HB ASP 34 -6.379 2.509 4.104 213 H LYS 35 H LYS 35 -6.670 3.288 0.188 214 HA LYS 35 HA LYS 35 -9.152 1.681 0.317 215 1HB LYS 35 2HB LYS 35 -8.172 4.042 -1.327 216 2HB LYS 35 1HB LYS 35 -9.773 3.328 -1.515 217 1HG LYS 35 2HG LYS 35 -10.141 3.731 0.957 218 2HG LYS 35 1HG LYS 35 -8.639 4.656 0.958 219 1HD LYS 35 2HD LYS 35 -9.600 6.097 -0.864 220 2HD LYS 35 1HD LYS 35 -11.132 5.245 -0.661 221 1HE LYS 35 2HE LYS 35 -9.694 6.719 1.577 222 2HE LYS 35 1HE LYS 35 -11.063 7.373 0.657 223 1HZ LYS 35 1HZ LYS 35 -12.247 6.312 2.248 224 2HZ LYS 35 2HZ LYS 35 -11.005 5.210 2.607 225 3HZ LYS 35 3HZ LYS 35 -11.996 4.966 1.249 226 H VAL 36 H VAL 36 -6.339 2.291 -1.722 227 HA VAL 36 HA VAL 36 -7.181 0.591 -3.926 228 HB VAL 36 HB VAL 36 -4.487 1.591 -2.968 229 1HG1 VAL 36 1HG1 VAL 36 -4.793 1.116 -5.819 230 2HG1 VAL 36 2HG1 VAL 36 -5.048 -0.355 -4.877 231 3HG1 VAL 36 3HG1 VAL 36 -3.540 0.544 -4.715 232 1HG2 VAL 36 1HG2 VAL 36 -4.864 3.520 -4.193 233 2HG2 VAL 36 2HG2 VAL 36 -6.511 3.164 -3.672 234 3HG2 VAL 36 3HG2 VAL 36 -5.984 2.721 -5.298 235 H LYS 37 H LYS 37 -5.132 0.135 -1.050 236 HA LYS 37 HA LYS 37 -3.906 -2.275 -1.497 237 1HB LYS 37 2HB LYS 37 -4.610 -0.680 0.696 238 2HB LYS 37 1HB LYS 37 -5.225 -2.281 1.097 239 1HG LYS 37 2HG LYS 37 -3.138 -3.201 1.229 240 2HG LYS 37 1HG LYS 37 -2.507 -2.207 -0.086 241 1HD LYS 37 2HD LYS 37 -1.438 -1.530 1.992 242 2HD LYS 37 1HD LYS 37 -2.517 -0.240 1.459 243 1HE LYS 37 2HE LYS 37 -4.291 -1.461 2.971 244 2HE LYS 37 1HE LYS 37 -2.858 -2.159 3.751 245 1HZ LYS 37 1HZ LYS 37 -1.942 0.093 3.942 246 2HZ LYS 37 2HZ LYS 37 -3.409 -0.058 4.786 247 3HZ LYS 37 3HZ LYS 37 -3.368 0.733 3.283 248 HA PRO 38 HA PRO 38 -7.824 -4.777 -0.260 249 1HB PRO 38 2HB PRO 38 -10.207 -3.417 -0.346 250 2HB PRO 38 1HB PRO 38 -9.237 -3.592 1.132 251 1HG PRO 38 2HG PRO 38 -9.407 -1.301 -0.767 252 2HG PRO 38 1HG PRO 38 -9.352 -1.292 1.004 253 1HD PRO 38 2HD PRO 38 -7.185 -0.737 -0.486 254 2HD PRO 38 1HD PRO 38 -7.060 -1.589 1.070 255 H VAL 39 H VAL 39 -8.076 -2.176 -2.606 256 HA VAL 39 HA VAL 39 -9.782 -3.538 -4.498 257 HB VAL 39 HB VAL 39 -7.934 -1.176 -4.395 258 1HG1 VAL 39 1HG1 VAL 39 -7.400 -1.290 -6.577 259 2HG1 VAL 39 2HG1 VAL 39 -9.115 -1.101 -6.943 260 3HG1 VAL 39 3HG1 VAL 39 -8.419 -2.711 -6.811 261 1HG2 VAL 39 1HG2 VAL 39 -10.749 -1.733 -4.275 262 2HG2 VAL 39 2HG2 VAL 39 -10.432 -0.647 -5.628 263 3HG2 VAL 39 3HG2 VAL 39 -9.916 -0.205 -4.001 264 H LEU 40 H LEU 40 -6.338 -3.542 -3.807 265 HA LEU 40 HA LEU 40 -5.716 -5.094 -6.258 266 1HB LEU 40 2HB LEU 40 -3.990 -4.103 -3.964 267 2HB LEU 40 1HB LEU 40 -3.421 -4.668 -5.537 268 HG LEU 40 HG LEU 40 -5.368 -2.381 -5.268 269 1HD1 LEU 40 1HD1 LEU 40 -3.562 -1.455 -4.170 270 2HD1 LEU 40 2HD1 LEU 40 -3.166 -1.062 -5.842 271 3HD1 LEU 40 3HD1 LEU 40 -2.382 -2.429 -5.045 272 1HD2 LEU 40 1HD2 LEU 40 -3.439 -3.213 -7.445 273 2HD2 LEU 40 2HD2 LEU 40 -4.616 -1.900 -7.536 274 3HD2 LEU 40 3HD2 LEU 40 -5.166 -3.574 -7.433 275 H LEU 41 H LEU 41 -5.980 -5.481 -2.764 276 HA LEU 41 HA LEU 41 -4.748 -8.086 -2.615 277 1HB LEU 41 2HB LEU 41 -6.730 -6.550 -0.910 278 2HB LEU 41 1HB LEU 41 -6.018 -8.085 -0.415 279 HG LEU 41 HG LEU 41 -4.243 -5.831 -1.303 280 1HD1 LEU 41 1HD1 LEU 41 -4.427 -5.927 1.553 281 2HD1 LEU 41 2HD1 LEU 41 -6.054 -5.718 0.901 282 3HD1 LEU 41 3HD1 LEU 41 -4.782 -4.571 0.482 283 1HD2 LEU 41 1HD2 LEU 41 -3.199 -7.259 0.874 284 2HD2 LEU 41 2HD2 LEU 41 -2.753 -7.460 -0.821 285 3HD2 LEU 41 3HD2 LEU 41 -4.009 -8.476 -0.114 286 H ASN 42 H ASN 42 -7.673 -6.954 -3.940 287 HA ASN 42 HA ASN 42 -9.182 -9.411 -3.369 288 1HB ASN 42 2HB ASN 42 -11.020 -8.193 -4.269 289 2HB ASN 42 1HB ASN 42 -10.051 -6.990 -3.419 290 1HD2 ASN 42 1HD2 ASN 42 -11.739 -6.104 -5.474 291 2HD2 ASN 42 2HD2 ASN 42 -10.811 -5.632 -6.816 292 H SER 43 H SER 43 -6.930 -8.422 -5.695 293 HA SER 43 HA SER 43 -8.113 -9.760 -8.018 294 1HB SER 43 2HB SER 43 -5.771 -9.254 -8.905 295 2HB SER 43 1HB SER 43 -6.715 -7.868 -8.367 296 HG SER 43 HG SER 43 -4.958 -9.264 -6.648 297 H LYS 44 H LYS 44 -7.196 -11.158 -5.296 298 HA LYS 44 HA LYS 44 -6.441 -13.332 -4.765 299 1HB LYS 44 2HB LYS 44 -7.739 -13.473 -7.143 300 2HB LYS 44 1HB LYS 44 -6.137 -14.018 -7.643 301 1HG LYS 44 2HG LYS 44 -6.497 -16.031 -6.704 302 2HG LYS 44 1HG LYS 44 -6.811 -15.268 -5.145 303 1HD LYS 44 2HD LYS 44 -8.948 -15.958 -5.368 304 2HD LYS 44 1HD LYS 44 -9.113 -14.736 -6.629 305 1HE LYS 44 2HE LYS 44 -9.545 -16.449 -8.059 306 2HE LYS 44 1HE LYS 44 -7.836 -16.900 -7.897 307 1HZ LYS 44 1HZ LYS 44 -9.417 -18.691 -7.240 308 2HZ LYS 44 2HZ LYS 44 -9.947 -17.699 -5.966 309 3HZ LYS 44 3HZ LYS 44 -8.338 -18.242 -6.012 310 H LEU 45 H LEU 45 -4.630 -10.982 -5.999 311 HA LEU 45 HA LEU 45 -2.197 -12.596 -6.594 312 1HB LEU 45 2HB LEU 45 -3.139 -9.766 -6.958 313 2HB LEU 45 1HB LEU 45 -1.407 -10.097 -6.965 314 HG LEU 45 HG LEU 45 -3.468 -11.408 -8.759 315 1HD1 LEU 45 1HD1 LEU 45 -1.881 -8.984 -8.954 316 2HD1 LEU 45 2HD1 LEU 45 -3.134 -9.580 -10.041 317 3HD1 LEU 45 3HD1 LEU 45 -1.467 -10.115 -10.241 318 1HD2 LEU 45 1HD2 LEU 45 -0.687 -11.728 -9.512 319 2HD2 LEU 45 2HD2 LEU 45 -1.911 -12.968 -9.252 320 3HD2 LEU 45 3HD2 LEU 45 -0.959 -12.369 -7.892 321 HA PRO 46 HA PRO 46 -0.525 -11.790 -2.616 322 1HB PRO 46 2HB PRO 46 2.148 -11.769 -3.195 323 2HB PRO 46 1HB PRO 46 1.178 -13.254 -3.182 324 1HG PRO 46 2HG PRO 46 2.140 -11.647 -5.475 325 2HG PRO 46 1HG PRO 46 1.928 -13.397 -5.327 326 1HD PRO 46 2HD PRO 46 0.180 -11.709 -6.628 327 2HD PRO 46 1HD PRO 46 -0.243 -13.311 -5.995 328 H VAL 47 H VAL 47 0.991 -10.140 -1.497 329 HA VAL 47 HA VAL 47 0.353 -7.472 -2.385 330 HB VAL 47 HB VAL 47 1.752 -8.862 -0.155 331 1HG1 VAL 47 1HG1 VAL 47 3.468 -7.280 -0.485 332 2HG1 VAL 47 2HG1 VAL 47 2.420 -6.539 0.723 333 3HG1 VAL 47 3HG1 VAL 47 2.331 -6.018 -0.959 334 1HG2 VAL 47 1HG2 VAL 47 -0.182 -8.262 0.815 335 2HG2 VAL 47 2HG2 VAL 47 -0.654 -7.395 -0.646 336 3HG2 VAL 47 3HG2 VAL 47 0.257 -6.565 0.614 337 H ASP 48 H ASP 48 2.642 -9.660 -3.462 338 HA ASP 48 HA ASP 48 4.881 -7.843 -3.854 339 1HB ASP 48 2HB ASP 48 4.994 -10.352 -3.612 340 2HB ASP 48 1HB ASP 48 4.195 -10.489 -5.178 341 H ILE 49 H ILE 49 2.054 -8.940 -5.635 342 HA ILE 49 HA ILE 49 2.851 -7.654 -8.149 343 HB ILE 49 HB ILE 49 0.088 -8.557 -7.321 344 1HG1 ILE 49 2HG1 ILE 49 1.520 -10.378 -6.658 345 2HG1 ILE 49 1HG1 ILE 49 0.784 -10.822 -8.198 346 1HG2 ILE 49 1HG2 ILE 49 1.635 -8.347 -9.907 347 2HG2 ILE 49 2HG2 ILE 49 0.126 -7.546 -9.469 348 3HG2 ILE 49 3HG2 ILE 49 0.145 -9.282 -9.780 349 1HD1 ILE 49 1HD1 ILE 49 3.548 -9.641 -7.836 350 2HD1 ILE 49 2HD1 ILE 49 2.808 -10.059 -9.382 351 3HD1 ILE 49 3HD1 ILE 49 3.186 -11.326 -8.214 352 H LEU 50 H LEU 50 0.639 -7.092 -5.462 353 HA LEU 50 HA LEU 50 -0.496 -4.628 -6.474 354 1HB LEU 50 2HB LEU 50 -0.210 -5.527 -3.602 355 2HB LEU 50 1HB LEU 50 -1.504 -4.560 -4.307 356 HG LEU 50 HG LEU 50 -0.954 -7.505 -4.724 357 1HD1 LEU 50 1HD1 LEU 50 -3.370 -7.628 -4.035 358 2HD1 LEU 50 2HD1 LEU 50 -3.296 -5.902 -3.681 359 3HD1 LEU 50 3HD1 LEU 50 -2.289 -7.032 -2.777 360 1HD2 LEU 50 1HD2 LEU 50 -1.717 -7.250 -6.837 361 2HD2 LEU 50 2HD2 LEU 50 -2.125 -5.558 -6.553 362 3HD2 LEU 50 3HD2 LEU 50 -3.274 -6.827 -6.124 363 H GLY 51 H GLY 51 2.308 -5.528 -4.551 364 1HA GLY 51 2HA GLY 51 2.945 -2.874 -3.603 365 2HA GLY 51 1HA GLY 51 4.074 -4.229 -3.686 366 H ARG 52 H ARG 52 3.350 -4.606 -6.554 367 HA ARG 52 HA ARG 52 5.197 -2.563 -7.673 368 1HB ARG 52 2HB ARG 52 4.816 -5.364 -7.881 369 2HB ARG 52 1HB ARG 52 4.419 -4.678 -9.455 370 1HG ARG 52 2HG ARG 52 6.597 -3.346 -9.258 371 2HG ARG 52 1HG ARG 52 7.003 -4.419 -7.915 372 1HD ARG 52 2HD ARG 52 6.270 -6.279 -9.728 373 2HD ARG 52 1HD ARG 52 6.848 -5.015 -10.827 374 HE ARG 52 HE ARG 52 8.984 -5.014 -9.500 375 1HH1 ARG 52 1HH2 ARG 52 8.687 -7.654 -10.935 376 2HH1 ARG 52 2HH2 ARG 52 9.041 -8.782 -9.669 377 1HH2 ARG 52 2HH1 ARG 52 8.623 -6.466 -7.125 378 2HH2 ARG 52 1HH1 ARG 52 9.005 -8.110 -7.513 379 H VAL 53 H VAL 53 1.934 -3.946 -8.059 380 HA VAL 53 HA VAL 53 1.298 -2.536 -10.495 381 HB VAL 53 HB VAL 53 -0.272 -3.773 -8.227 382 1HG1 VAL 53 1HG1 VAL 53 -1.942 -3.340 -10.493 383 2HG1 VAL 53 2HG1 VAL 53 -1.205 -1.792 -10.086 384 3HG1 VAL 53 3HG1 VAL 53 -2.129 -2.675 -8.872 385 1HG2 VAL 53 1HG2 VAL 53 -0.439 -4.602 -11.100 386 2HG2 VAL 53 2HG2 VAL 53 -0.465 -5.594 -9.638 387 3HG2 VAL 53 3HG2 VAL 53 1.062 -4.950 -10.236 388 H TRP 54 H TRP 54 1.115 -1.716 -7.061 389 HA TRP 54 HA TRP 54 -0.360 0.744 -7.430 390 1HB TRP 54 2HB TRP 54 -0.358 -0.140 -5.237 391 2HB TRP 54 1HB TRP 54 1.379 -0.461 -5.274 392 HD1 TRP 54 HD1 TRP 54 3.011 1.722 -5.243 393 HE1 TRP 54 HE1 TRP 54 2.687 4.025 -4.181 394 HE3 TRP 54 HE3 TRP 54 -2.036 1.623 -4.473 395 HZ2 TRP 54 HZ2 TRP 54 0.569 5.623 -3.095 396 HZ3 TRP 54 HZ3 TRP 54 -3.177 3.556 -3.407 397 HH2 TRP 54 HH2 TRP 54 -1.883 5.544 -2.725 398 H GLU 55 H GLU 55 3.128 0.120 -6.792 399 HA GLU 55 HA GLU 55 4.095 2.722 -6.990 400 1HB GLU 55 2HB GLU 55 5.174 0.052 -7.862 401 2HB GLU 55 1HB GLU 55 6.146 1.518 -7.975 402 1HG GLU 55 2HG GLU 55 5.015 1.583 -5.406 403 2HG GLU 55 1HG GLU 55 5.537 -0.085 -5.643 404 H LEU 56 H LEU 56 3.879 0.450 -9.745 405 HA LEU 56 HA LEU 56 4.459 2.425 -11.742 406 1HB LEU 56 2HB LEU 56 2.882 -0.171 -11.879 407 2HB LEU 56 1HB LEU 56 3.574 0.672 -13.264 408 HG LEU 56 HG LEU 56 5.465 0.112 -11.050 409 1HD1 LEU 56 1HD1 LEU 56 3.831 -1.937 -11.435 410 2HD1 LEU 56 2HD1 LEU 56 5.568 -2.199 -11.269 411 3HD1 LEU 56 3HD1 LEU 56 4.823 -2.179 -12.870 412 1HD2 LEU 56 1HD2 LEU 56 5.617 -0.415 -14.039 413 2HD2 LEU 56 2HD2 LEU 56 6.974 -0.329 -12.918 414 3HD2 LEU 56 3HD2 LEU 56 6.047 1.119 -13.290 415 H SER 57 H SER 57 1.700 1.858 -9.801 416 HA SER 57 HA SER 57 -0.217 3.159 -11.658 417 1HB SER 57 2HB SER 57 -1.071 1.285 -10.466 418 2HB SER 57 1HB SER 57 -0.339 1.816 -8.955 419 HG SER 57 HG SER 57 -2.279 3.346 -10.335 420 H ASP 58 H ASP 58 1.513 3.756 -8.622 421 HA ASP 58 HA ASP 58 0.202 6.279 -8.020 422 1HB ASP 58 2HB ASP 58 1.523 4.543 -6.552 423 2HB ASP 58 1HB ASP 58 2.937 5.459 -7.074 424 H ILE 59 H ILE 59 0.442 7.753 -9.761 425 HA ILE 59 HA ILE 59 3.082 8.127 -11.020 426 HB ILE 59 HB ILE 59 0.537 9.731 -11.356 427 1HG1 ILE 59 2HG1 ILE 59 0.142 7.242 -11.524 428 2HG1 ILE 59 1HG1 ILE 59 -0.177 8.121 -13.018 429 1HG2 ILE 59 1HG2 ILE 59 3.134 9.747 -12.573 430 2HG2 ILE 59 2HG2 ILE 59 1.745 10.769 -12.941 431 3HG2 ILE 59 3HG2 ILE 59 1.951 9.229 -13.775 432 1HD1 ILE 59 1HD1 ILE 59 1.821 6.056 -12.470 433 2HD1 ILE 59 2HD1 ILE 59 2.527 7.494 -13.206 434 3HD1 ILE 59 3HD1 ILE 59 1.210 6.643 -14.018 435 H ASP 60 H ASP 60 1.151 9.615 -8.507 436 HA ASP 60 HA ASP 60 2.784 12.089 -8.509 437 1HB ASP 60 2HB ASP 60 0.623 11.205 -6.583 438 2HB ASP 60 1HB ASP 60 1.138 12.852 -6.940 439 H HIS 61 H HIS 61 2.833 8.981 -7.071 440 HA HIS 61 HA HIS 61 4.163 8.072 -5.335 441 1HB HIS 61 2HB HIS 61 5.774 10.615 -5.539 442 2HB HIS 61 1HB HIS 61 6.350 8.971 -5.277 443 HD1 HIS 61 HD1 HIS 61 7.115 11.066 -7.673 444 HD2 HIS 61 HD2 HIS 61 4.720 7.666 -7.947 445 HE1 HIS 61 HE1 HIS 61 7.146 10.364 -10.106 446 H ASP 62 H ASP 62 1.875 9.421 -4.366 447 HA ASP 62 HA ASP 62 2.967 10.810 -1.939 448 1HB ASP 62 2HB ASP 62 0.837 12.134 -2.048 449 2HB ASP 62 1HB ASP 62 1.859 12.363 -3.467 450 H GLY 63 H GLY 63 1.960 7.924 -2.699 451 1HA GLY 63 2HA GLY 63 0.983 6.220 -1.394 452 2HA GLY 63 1HA GLY 63 0.697 7.418 -0.132 453 H MET 64 H MET 64 -0.426 7.782 -3.460 454 HA MET 64 HA MET 64 -3.192 7.051 -2.669 455 1HB MET 64 2HB MET 64 -2.214 9.801 -3.442 456 2HB MET 64 1HB MET 64 -3.910 9.342 -3.525 457 1HG MET 64 2HG MET 64 -3.979 8.888 -1.169 458 2HG MET 64 1HG MET 64 -2.231 9.102 -1.027 459 1HE MET 64 1HE MET 64 -5.478 10.114 -0.946 460 2HE MET 64 2HE MET 64 -5.682 11.807 -1.387 461 3HE MET 64 3HE MET 64 -5.205 11.382 0.255 462 H LEU 65 H LEU 65 -4.655 7.027 -4.548 463 HA LEU 65 HA LEU 65 -3.267 6.971 -7.206 464 1HB LEU 65 2HB LEU 65 -4.953 4.920 -5.777 465 2HB LEU 65 1HB LEU 65 -4.919 4.949 -7.540 466 HG LEU 65 HG LEU 65 -2.471 4.762 -5.760 467 1HD1 LEU 65 1HD1 LEU 65 -4.099 2.715 -7.263 468 2HD1 LEU 65 2HD1 LEU 65 -3.528 2.657 -5.595 469 3HD1 LEU 65 3HD1 LEU 65 -2.389 2.444 -6.925 470 1HD2 LEU 65 1HD2 LEU 65 -1.405 4.164 -7.997 471 2HD2 LEU 65 2HD2 LEU 65 -1.894 5.848 -7.823 472 3HD2 LEU 65 3HD2 LEU 65 -2.889 4.734 -8.760 473 H ASP 66 H ASP 66 -4.300 8.753 -8.198 474 HA ASP 66 HA ASP 66 -7.084 9.394 -7.607 475 1HB ASP 66 2HB ASP 66 -6.688 11.189 -9.256 476 2HB ASP 66 1HB ASP 66 -5.367 11.094 -8.097 477 H ARG 67 H ARG 67 -8.546 9.788 -9.628 478 HA ARG 67 HA ARG 67 -9.516 7.469 -10.719 479 1HB ARG 67 2HB ARG 67 -10.262 8.978 -12.625 480 2HB ARG 67 1HB ARG 67 -10.633 9.555 -11.002 481 1HG ARG 67 2HG ARG 67 -8.149 10.634 -11.379 482 2HG ARG 67 1HG ARG 67 -8.784 10.666 -13.022 483 1HD ARG 67 2HD ARG 67 -10.953 11.565 -11.598 484 2HD ARG 67 1HD ARG 67 -9.602 12.259 -10.679 485 HE ARG 67 HE ARG 67 -8.899 12.689 -13.331 486 1HH1 ARG 67 1HH2 ARG 67 -10.246 14.462 -10.969 487 2HH1 ARG 67 2HH2 ARG 67 -11.273 15.436 -11.967 488 1HH2 ARG 67 2HH1 ARG 67 -10.822 13.484 -14.797 489 2HH2 ARG 67 1HH1 ARG 67 -11.599 14.884 -14.134 490 H ASP 68 H ASP 68 -7.060 9.483 -12.374 491 HA ASP 68 HA ASP 68 -6.736 7.613 -14.568 492 1HB ASP 68 2HB ASP 68 -4.697 9.096 -14.967 493 2HB ASP 68 1HB ASP 68 -6.239 9.946 -14.876 494 H GLU 69 H GLU 69 -4.776 8.373 -11.705 495 HA GLU 69 HA GLU 69 -2.678 6.488 -12.191 496 1HB GLU 69 2HB GLU 69 -3.872 7.687 -9.673 497 2HB GLU 69 1HB GLU 69 -2.351 6.792 -9.704 498 1HG GLU 69 2HG GLU 69 -1.459 8.385 -11.368 499 2HG GLU 69 1HG GLU 69 -2.965 9.294 -11.290 500 H PHE 70 H PHE 70 -5.528 6.233 -10.036 501 HA PHE 70 HA PHE 70 -5.255 3.558 -9.235 502 1HB PHE 70 2HB PHE 70 -7.005 5.427 -8.703 503 2HB PHE 70 1HB PHE 70 -7.882 4.784 -10.090 504 HD1 PHE 70 HD1 PHE 70 -7.072 4.328 -6.598 505 HD2 PHE 70 HD2 PHE 70 -8.488 2.305 -10.114 506 HE1 PHE 70 HE1 PHE 70 -7.978 2.504 -5.185 507 HE2 PHE 70 HE2 PHE 70 -9.393 0.481 -8.698 508 HZ PHE 70 HZ PHE 70 -9.138 0.585 -6.232 509 H ALA 71 H ALA 71 -6.259 4.928 -12.315 510 HA ALA 71 HA ALA 71 -7.417 2.603 -13.512 511 1HB ALA 71 1HB ALA 71 -7.250 3.881 -15.484 512 2HB ALA 71 2HB ALA 71 -5.728 4.619 -14.981 513 3HB ALA 71 3HB ALA 71 -7.244 5.116 -14.226 514 H VAL 72 H VAL 72 -4.123 3.895 -13.833 515 HA VAL 72 HA VAL 72 -2.934 1.867 -15.333 516 HB VAL 72 HB VAL 72 -1.879 3.521 -13.021 517 1HG1 VAL 72 1HG1 VAL 72 0.217 3.097 -14.765 518 2HG1 VAL 72 2HG1 VAL 72 -0.607 1.537 -14.767 519 3HG1 VAL 72 3HG1 VAL 72 -0.036 2.228 -13.252 520 1HG2 VAL 72 1HG2 VAL 72 -1.088 5.022 -14.859 521 2HG2 VAL 72 2HG2 VAL 72 -2.848 4.863 -14.835 522 3HG2 VAL 72 3HG2 VAL 72 -1.902 3.977 -16.026 523 H ALA 73 H ALA 73 -3.832 1.862 -11.938 524 HA ALA 73 HA ALA 73 -2.293 -0.571 -11.308 525 1HB ALA 73 1HB ALA 73 -3.657 1.605 -9.987 526 2HB ALA 73 2HB ALA 73 -2.432 0.511 -9.345 527 3HB ALA 73 3HB ALA 73 -4.140 0.058 -9.281 528 H MET 74 H MET 74 -5.360 -0.045 -12.764 529 HA MET 74 HA MET 74 -6.540 -2.450 -11.490 530 1HB MET 74 2HB MET 74 -7.671 -0.860 -13.796 531 2HB MET 74 1HB MET 74 -8.548 -1.798 -12.594 532 1HG MET 74 2HG MET 74 -7.289 0.909 -12.336 533 2HG MET 74 1HG MET 74 -8.890 0.384 -11.841 534 1HE MET 74 1HE MET 74 -8.682 -1.679 -9.017 535 2HE MET 74 2HE MET 74 -7.330 -2.535 -9.753 536 3HE MET 74 3HE MET 74 -8.682 -2.011 -10.754 537 H PHE 75 H PHE 75 -5.417 -1.459 -14.735 538 HA PHE 75 HA PHE 75 -5.962 -4.111 -15.837 539 1HB PHE 75 2HB PHE 75 -5.233 -3.150 -17.847 540 2HB PHE 75 1HB PHE 75 -5.771 -1.725 -16.961 541 HD1 PHE 75 HD1 PHE 75 -2.770 -3.766 -17.812 542 HD2 PHE 75 HD2 PHE 75 -4.261 -0.009 -16.369 543 HE1 PHE 75 HE1 PHE 75 -0.490 -2.805 -17.962 544 HE2 PHE 75 HE2 PHE 75 -1.990 0.946 -16.519 545 HZ PHE 75 HZ PHE 75 -0.097 -0.444 -17.315 546 H LEU 76 H LEU 76 -3.413 -2.552 -14.091 547 HA LEU 76 HA LEU 76 -1.257 -4.357 -14.822 548 1HB LEU 76 2HB LEU 76 -1.835 -2.134 -12.966 549 2HB LEU 76 1HB LEU 76 -0.646 -3.291 -12.367 550 HG LEU 76 HG LEU 76 -0.536 -1.918 -15.067 551 1HD1 LEU 76 1HD1 LEU 76 0.679 -0.274 -14.105 552 2HD1 LEU 76 2HD1 LEU 76 1.635 -1.428 -13.176 553 3HD1 LEU 76 3HD1 LEU 76 0.079 -0.875 -12.559 554 1HD2 LEU 76 1HD2 LEU 76 1.956 -2.921 -14.532 555 2HD2 LEU 76 2HD2 LEU 76 0.748 -3.749 -15.516 556 3HD2 LEU 76 3HD2 LEU 76 0.927 -4.158 -13.810 557 H VAL 77 H VAL 77 -3.840 -4.298 -12.465 558 HA VAL 77 HA VAL 77 -2.819 -6.679 -11.026 559 HB VAL 77 HB VAL 77 -5.160 -4.769 -10.785 560 1HG1 VAL 77 1HG1 VAL 77 -4.753 -7.464 -9.582 561 2HG1 VAL 77 2HG1 VAL 77 -6.250 -6.591 -9.900 562 3HG1 VAL 77 3HG1 VAL 77 -5.281 -6.193 -8.482 563 1HG2 VAL 77 1HG2 VAL 77 -3.688 -4.983 -8.395 564 2HG2 VAL 77 2HG2 VAL 77 -3.624 -3.655 -9.555 565 3HG2 VAL 77 3HG2 VAL 77 -2.480 -4.992 -9.679 566 H TYR 78 H TYR 78 -5.059 -5.846 -13.555 567 HA TYR 78 HA TYR 78 -6.558 -8.382 -13.339 568 1HB TYR 78 2HB TYR 78 -6.740 -5.776 -14.675 569 2HB TYR 78 1HB TYR 78 -7.197 -7.113 -15.731 570 HD1 TYR 78 HD1 TYR 78 -8.537 -4.800 -13.575 571 HD2 TYR 78 HD2 TYR 78 -8.562 -9.040 -14.264 572 HE1 TYR 78 HE1 TYR 78 -10.718 -4.976 -12.409 573 HE2 TYR 78 HE2 TYR 78 -10.745 -9.215 -13.097 574 HH TYR 78 HH TYR 78 -12.277 -6.353 -11.629 575 H CYS 79 H CYS 79 -3.911 -6.977 -15.159 576 HA CYS 79 HA CYS 79 -3.889 -9.113 -17.185 577 1HB CYS 79 2HB CYS 79 -2.311 -6.650 -16.497 578 2HB CYS 79 1HB CYS 79 -1.585 -7.843 -17.574 579 HG CYS 79 HG CYS 79 -4.248 -7.410 -18.701 580 H ALA 80 H ALA 80 -2.714 -8.653 -13.996 581 HA ALA 80 HA ALA 80 -0.413 -10.464 -14.258 582 1HB ALA 80 1HB ALA 80 -0.325 -10.096 -11.796 583 2HB ALA 80 2HB ALA 80 -1.881 -9.268 -11.881 584 3HB ALA 80 3HB ALA 80 -0.467 -8.570 -12.668 585 H LEU 81 H LEU 81 -3.784 -10.712 -13.933 586 HA LEU 81 HA LEU 81 -3.771 -13.300 -12.509 587 1HB LEU 81 2HB LEU 81 -6.086 -11.896 -13.842 588 2HB LEU 81 1HB LEU 81 -6.122 -12.959 -12.435 589 HG LEU 81 HG LEU 81 -5.031 -10.151 -12.603 590 1HD1 LEU 81 1HD1 LEU 81 -6.824 -10.961 -10.415 591 2HD1 LEU 81 2HD1 LEU 81 -7.553 -11.078 -12.017 592 3HD1 LEU 81 3HD1 LEU 81 -6.893 -9.541 -11.459 593 1HD2 LEU 81 1HD2 LEU 81 -4.545 -12.357 -10.630 594 2HD2 LEU 81 2HD2 LEU 81 -4.641 -10.694 -10.048 595 3HD2 LEU 81 3HD2 LEU 81 -3.421 -11.143 -11.242 596 H GLU 82 H GLU 82 -4.737 -12.019 -15.705 597 HA GLU 82 HA GLU 82 -4.540 -14.821 -16.762 598 1HB GLU 82 2HB GLU 82 -6.310 -12.829 -18.088 599 2HB GLU 82 1HB GLU 82 -6.572 -14.550 -17.813 600 1HG GLU 82 2HG GLU 82 -6.717 -13.802 -15.278 601 2HG GLU 82 1HG GLU 82 -7.097 -12.231 -15.984 602 H LYS 83 H LYS 83 -2.417 -12.691 -16.814 603 HA LYS 83 HA LYS 83 -2.000 -12.752 -19.754 604 1HB LYS 83 2HB LYS 83 -2.758 -10.427 -18.138 605 2HB LYS 83 1HB LYS 83 -1.344 -10.155 -19.154 606 1HG LYS 83 2HG LYS 83 -3.595 -11.576 -20.452 607 2HG LYS 83 1HG LYS 83 -3.894 -9.886 -20.045 608 1HD LYS 83 2HD LYS 83 -2.955 -9.850 -22.235 609 2HD LYS 83 1HD LYS 83 -1.645 -9.373 -21.155 610 1HE LYS 83 2HE LYS 83 -0.704 -11.618 -21.210 611 2HE LYS 83 1HE LYS 83 -2.084 -12.209 -22.157 612 1HZ LYS 83 1HZ LYS 83 0.111 -10.453 -22.974 613 2HZ LYS 83 2HZ LYS 83 -1.424 -10.149 -23.637 614 3HZ LYS 83 3HZ LYS 83 -0.686 -11.665 -23.853 615 H GLU 84 H GLU 84 -0.364 -10.523 -17.616 616 HA GLU 84 HA GLU 84 2.007 -12.338 -17.435 617 1HB GLU 84 2HB GLU 84 2.394 -11.060 -19.419 618 2HB GLU 84 1HB GLU 84 1.749 -9.591 -18.689 619 1HG GLU 84 2HG GLU 84 3.730 -9.904 -16.984 620 2HG GLU 84 1HG GLU 84 4.419 -10.901 -18.263 621 HA PRO 85 HA PRO 85 2.213 -10.754 -13.340 622 1HB PRO 85 2HB PRO 85 4.939 -10.607 -12.958 623 2HB PRO 85 1HB PRO 85 4.020 -12.127 -12.911 624 1HG PRO 85 2HG PRO 85 5.566 -10.931 -15.179 625 2HG PRO 85 1HG PRO 85 5.559 -12.604 -14.585 626 1HD PRO 85 2HD PRO 85 4.146 -11.943 -16.740 627 2HD PRO 85 1HD PRO 85 3.480 -13.073 -15.540 628 H VAL 86 H VAL 86 4.088 -8.923 -12.281 629 HA VAL 86 HA VAL 86 3.717 -6.561 -14.097 630 HB VAL 86 HB VAL 86 3.357 -6.810 -11.097 631 1HG1 VAL 86 1HG1 VAL 86 2.980 -4.445 -12.959 632 2HG1 VAL 86 2HG1 VAL 86 4.236 -4.604 -11.732 633 3HG1 VAL 86 3HG1 VAL 86 2.546 -4.472 -11.251 634 1HG2 VAL 86 1HG2 VAL 86 0.975 -6.267 -11.689 635 2HG2 VAL 86 2HG2 VAL 86 1.516 -7.827 -12.310 636 3HG2 VAL 86 3HG2 VAL 86 1.407 -6.437 -13.391 637 HA PRO 87 HA PRO 87 8.077 -6.200 -13.098 638 1HB PRO 87 2HB PRO 87 8.645 -4.415 -15.088 639 2HB PRO 87 1HB PRO 87 8.480 -6.156 -15.387 640 1HG PRO 87 2HG PRO 87 6.613 -3.953 -15.995 641 2HG PRO 87 1HG PRO 87 6.847 -5.500 -16.818 642 1HD PRO 87 2HD PRO 87 4.775 -4.866 -15.043 643 2HD PRO 87 1HD PRO 87 5.215 -6.490 -15.608 644 H MET 88 H MET 88 9.292 -4.383 -12.126 645 HA MET 88 HA MET 88 7.527 -2.328 -10.980 646 1HB MET 88 2HB MET 88 9.984 -3.627 -10.369 647 2HB MET 88 1HB MET 88 10.261 -1.883 -10.418 648 1HG MET 88 2HG MET 88 7.901 -1.956 -9.101 649 2HG MET 88 1HG MET 88 8.607 -3.472 -8.546 650 1HE MET 88 1HE MET 88 10.437 -3.062 -6.012 651 2HE MET 88 2HE MET 88 11.773 -2.917 -7.152 652 3HE MET 88 3HE MET 88 10.381 -3.918 -7.560 653 H SER 89 H SER 89 8.558 -2.422 -13.927 654 HA SER 89 HA SER 89 9.792 0.289 -13.946 655 1HB SER 89 2HB SER 89 9.637 -1.712 -16.187 656 2HB SER 89 1HB SER 89 10.746 -0.354 -16.030 657 HG SER 89 HG SER 89 10.633 -2.705 -14.437 658 H LEU 90 H LEU 90 8.114 1.678 -14.016 659 HA LEU 90 HA LEU 90 5.609 1.307 -15.326 660 1HB LEU 90 2HB LEU 90 7.026 3.283 -13.850 661 2HB LEU 90 1HB LEU 90 6.426 4.064 -15.313 662 HG LEU 90 HG LEU 90 4.669 2.310 -13.593 663 1HD1 LEU 90 1HD1 LEU 90 5.679 4.333 -12.368 664 2HD1 LEU 90 2HD1 LEU 90 3.918 4.226 -12.399 665 3HD1 LEU 90 3HD1 LEU 90 4.754 5.328 -13.492 666 1HD2 LEU 90 1HD2 LEU 90 4.219 3.089 -16.083 667 2HD2 LEU 90 2HD2 LEU 90 3.779 4.607 -15.300 668 3HD2 LEU 90 3HD2 LEU 90 2.919 3.122 -14.891 669 HA PRO 91 HA PRO 91 7.359 1.554 -19.488 670 1HB PRO 91 2HB PRO 91 5.020 0.806 -20.721 671 2HB PRO 91 1HB PRO 91 6.171 -0.354 -20.026 672 1HG PRO 91 2HG PRO 91 3.654 0.743 -18.854 673 2HG PRO 91 1HG PRO 91 4.259 -0.922 -18.853 674 1HD PRO 91 2HD PRO 91 4.506 0.650 -16.689 675 2HD PRO 91 1HD PRO 91 5.764 -0.518 -17.139 676 HA PRO 92 HA PRO 92 5.865 5.586 -20.410 677 1HB PRO 92 2HB PRO 92 6.730 5.785 -22.992 678 2HB PRO 92 1HB PRO 92 7.828 5.848 -21.601 679 1HG PRO 92 2HG PRO 92 7.250 3.603 -23.458 680 2HG PRO 92 1HG PRO 92 8.779 4.077 -22.700 681 1HD PRO 92 2HD PRO 92 7.209 1.999 -21.842 682 2HD PRO 92 1HD PRO 92 8.352 2.883 -20.806 683 H ALA 93 H ALA 93 4.674 2.800 -22.009 684 HA ALA 93 HA ALA 93 2.796 4.308 -23.743 685 1HB ALA 93 1HB ALA 93 3.059 2.405 -24.941 686 2HB ALA 93 2HB ALA 93 2.267 1.506 -23.642 687 3HB ALA 93 3HB ALA 93 4.022 1.707 -23.636 688 H LEU 94 H LEU 94 2.796 4.133 -20.638 689 HA LEU 94 HA LEU 94 -0.108 3.528 -20.443 690 1HB LEU 94 2HB LEU 94 0.397 1.564 -19.458 691 2HB LEU 94 1HB LEU 94 2.109 1.920 -19.593 692 HG LEU 94 HG LEU 94 1.587 3.426 -17.443 693 1HD1 LEU 94 1HD1 LEU 94 -0.405 3.033 -16.482 694 2HD1 LEU 94 2HD1 LEU 94 -0.115 1.295 -16.512 695 3HD1 LEU 94 3HD1 LEU 94 -0.858 2.089 -17.899 696 1HD2 LEU 94 1HD2 LEU 94 2.072 0.461 -17.654 697 2HD2 LEU 94 2HD2 LEU 94 2.072 1.287 -16.094 698 3HD2 LEU 94 3HD2 LEU 94 3.234 1.748 -17.339 699 H VAL 95 H VAL 95 2.197 5.795 -19.975 700 HA VAL 95 HA VAL 95 1.096 6.736 -17.359 701 HB VAL 95 HB VAL 95 3.204 8.173 -17.486 702 1HG1 VAL 95 1HG1 VAL 95 3.139 6.177 -16.105 703 2HG1 VAL 95 2HG1 VAL 95 4.687 6.226 -16.949 704 3HG1 VAL 95 3HG1 VAL 95 3.407 5.152 -17.515 705 1HG2 VAL 95 1HG2 VAL 95 4.056 6.210 -19.607 706 2HG2 VAL 95 2HG2 VAL 95 4.831 7.722 -19.132 707 3HG2 VAL 95 3HG2 VAL 95 3.322 7.754 -20.046 708 HA PRO 96 HA PRO 96 -0.916 10.116 -19.311 709 1HB PRO 96 2HB PRO 96 -0.781 11.938 -17.260 710 2HB PRO 96 1HB PRO 96 -1.887 10.549 -17.252 711 1HG PRO 96 2HG PRO 96 0.747 10.880 -15.897 712 2HG PRO 96 1HG PRO 96 -0.742 10.131 -15.299 713 1HD PRO 96 2HD PRO 96 1.361 8.689 -16.213 714 2HD PRO 96 1HD PRO 96 -0.324 8.133 -16.361 715 HA PRO 97 HA PRO 97 2.060 12.978 -20.833 716 1HB PRO 97 2HB PRO 97 0.857 15.437 -20.655 717 2HB PRO 97 1HB PRO 97 0.381 14.208 -21.845 718 1HG PRO 97 2HG PRO 97 -0.889 14.913 -19.241 719 2HG PRO 97 1HG PRO 97 -1.646 14.520 -20.795 720 1HD PRO 97 2HD PRO 97 -1.470 12.740 -18.762 721 2HD PRO 97 1HD PRO 97 -1.446 12.251 -20.471 722 H SER 98 H SER 98 0.902 13.420 -17.601 723 HA SER 98 HA SER 98 2.721 15.550 -16.825 724 1HB SER 98 2HB SER 98 1.574 15.345 -14.853 725 2HB SER 98 1HB SER 98 0.506 14.298 -15.785 726 HG SER 98 HG SER 98 1.496 12.545 -14.962 727 H LYS 99 H LYS 99 3.045 12.182 -17.421 728 HA LYS 99 HA LYS 99 5.451 11.876 -15.727 729 1HB LYS 99 2HB LYS 99 3.682 10.113 -16.024 730 2HB LYS 99 1HB LYS 99 4.132 10.008 -17.726 731 1HG LYS 99 2HG LYS 99 5.638 8.451 -17.078 732 2HG LYS 99 1HG LYS 99 6.569 9.798 -16.421 733 1HD LYS 99 2HD LYS 99 4.621 9.289 -14.481 734 2HD LYS 99 1HD LYS 99 5.143 7.690 -15.010 735 1HE LYS 99 2HE LYS 99 7.117 9.877 -14.289 736 2HE LYS 99 1HE LYS 99 6.519 8.697 -13.106 737 1HZ LYS 99 1HZ LYS 99 7.882 8.103 -15.679 738 2HZ LYS 99 2HZ LYS 99 7.156 6.927 -14.689 739 3HZ LYS 99 3HZ LYS 99 8.489 7.817 -14.121 740 H ARG 100 H ARG 100 4.835 13.317 -18.641 741 HA ARG 100 HA ARG 100 7.218 12.252 -20.067 742 1HB ARG 100 2HB ARG 100 5.321 14.470 -20.880 743 2HB ARG 100 1HB ARG 100 6.326 13.475 -21.929 744 1HG ARG 100 2HG ARG 100 4.316 12.095 -20.190 745 2HG ARG 100 1HG ARG 100 3.740 12.952 -21.617 746 1HD ARG 100 2HD ARG 100 4.504 11.323 -22.988 747 2HD ARG 100 1HD ARG 100 6.106 11.354 -22.224 748 HE ARG 100 HE ARG 100 3.946 10.083 -20.657 749 1HH1 ARG 100 1HH2 ARG 100 4.574 8.483 -23.160 750 2HH1 ARG 100 2HH2 ARG 100 5.804 7.410 -22.579 751 1HH2 ARG 100 2HH1 ARG 100 6.437 9.259 -19.715 752 2HH2 ARG 100 1HH1 ARG 100 6.858 7.849 -20.630 753 H SER 107 1H SER 107 8.843 6.359 -1.871 754 HA SER 107 HA SER 107 8.853 3.710 -3.166 755 1HB SER 107 2HB SER 107 10.762 4.756 -1.262 756 2HB SER 107 1HB SER 107 9.808 3.480 -0.512 757 HG SER 107 HG SER 107 11.011 2.167 -1.612 758 H THR 108 H THR 108 6.640 5.381 -2.686 759 HA THR 108 HA THR 108 5.523 4.721 -0.036 760 HB THR 108 HB THR 108 3.614 6.072 -0.950 761 HG1 THR 108 HG1 THR 108 3.832 5.530 -3.119 762 1HG2 THR 108 1HG2 THR 108 5.410 7.225 0.207 763 2HG2 THR 108 2HG2 THR 108 4.928 8.189 -1.189 764 3HG2 THR 108 3HG2 THR 108 6.400 7.221 -1.252 765 H ASN 109 H ASN 109 5.509 2.338 -0.370 766 HA ASN 109 HA ASN 109 3.219 1.476 -2.103 767 1HB ASN 109 2HB ASN 109 5.606 0.909 -2.833 768 2HB ASN 109 1HB ASN 109 5.684 -0.144 -1.418 769 1HD2 ASN 109 1HD2 ASN 109 2.902 0.453 -3.601 770 2HD2 ASN 109 2HD2 ASN 109 2.744 -1.152 -4.107 771 HA PRO 110 HA PRO 110 2.015 0.311 2.085 772 1HB PRO 110 2HB PRO 110 -0.655 0.159 1.511 773 2HB PRO 110 1HB PRO 110 0.182 1.684 1.856 774 1HG PRO 110 2HG PRO 110 -0.656 0.535 -0.744 775 2HG PRO 110 1HG PRO 110 -0.618 2.218 -0.210 776 1HD PRO 110 2HD PRO 110 1.265 1.076 -1.848 777 2HD PRO 110 1HD PRO 110 1.550 2.502 -0.830 778 H PHE 111 H PHE 111 2.492 -1.576 -0.530 779 HA PHE 111 HA PHE 111 0.973 -3.905 0.592 780 1HB PHE 111 2HB PHE 111 2.277 -3.738 -2.137 781 2HB PHE 111 1HB PHE 111 1.029 -4.857 -1.604 782 HD1 PHE 111 HD1 PHE 111 1.637 -1.178 -2.043 783 HD2 PHE 111 HD2 PHE 111 -1.227 -4.396 -2.142 784 HE1 PHE 111 HE1 PHE 111 -0.100 0.382 -2.860 785 HE2 PHE 111 HE2 PHE 111 -2.946 -2.821 -2.956 786 HZ PHE 111 HZ PHE 111 -2.386 -0.433 -3.309 787 H ARG 112 HN ARG 112 3.923 -3.612 -1.386 788 HA ARG 112 HA ARG 112 5.358 -5.760 -0.410 789 1HB ARG 112 2HB ARG 112 5.804 -3.568 -2.015 790 2HB ARG 112 1HB ARG 112 6.938 -3.288 -0.693 791 1HG ARG 112 2HG ARG 112 7.434 -5.889 -1.075 792 2HG ARG 112 1HG ARG 112 6.875 -5.497 -2.701 793 1HD ARG 112 2HD ARG 112 8.826 -3.598 -1.477 794 2HD ARG 112 1HD ARG 112 9.450 -5.180 -1.987 795 HE ARG 112 HE ARG 112 8.327 -4.703 -4.225 796 1HH1 ARG 112 1HH2 ARG 112 10.685 -2.823 -3.206 797 2HH1 ARG 112 2HH2 ARG 112 10.150 -1.330 -3.901 798 1HH2 ARG 112 1HH1 ARG 112 6.966 -2.502 -4.619 799 2HH2 ARG 112 2HH1 ARG 112 8.043 -1.148 -4.702 Start of MODEL 17 1 HA PRO 6 HA PRO 6 -2.980 6.063 -27.530 2 1HB PRO 6 2HB PRO 6 -4.436 3.799 -27.048 3 2HB PRO 6 1HB PRO 6 -4.477 4.659 -28.600 4 1HG PRO 6 2HG PRO 6 -3.028 2.178 -27.850 5 2HG PRO 6 1HG PRO 6 -3.810 2.613 -29.376 6 1HD PRO 6 2HD PRO 6 -1.100 2.719 -28.939 7 2HD PRO 6 1HD PRO 6 -1.956 3.681 -30.163 8 H TRP 7 H TRP 7 -4.008 5.473 -25.280 9 HA TRP 7 HA TRP 7 -1.854 5.070 -23.368 10 1HB TRP 7 2HB TRP 7 -3.774 6.584 -23.020 11 2HB TRP 7 1HB TRP 7 -4.880 5.214 -23.089 12 HD1 TRP 7 HD1 TRP 7 -1.753 4.317 -21.396 13 HE1 TRP 7 HE1 TRP 7 -2.071 4.238 -18.838 14 HE3 TRP 7 HE3 TRP 7 -6.303 6.585 -21.019 15 HZ2 TRP 7 HZ2 TRP 7 -4.007 5.031 -16.895 16 HZ3 TRP 7 HZ3 TRP 7 -7.364 6.909 -18.802 17 HH2 TRP 7 HH2 TRP 7 -6.223 6.136 -16.741 18 H ALA 8 H ALA 8 -1.150 3.092 -22.654 19 HA ALA 8 HA ALA 8 -1.866 0.571 -23.455 20 1HB ALA 8 1HB ALA 8 -0.595 -0.123 -21.641 21 2HB ALA 8 2HB ALA 8 -1.379 1.005 -20.531 22 3HB ALA 8 3HB ALA 8 -0.167 1.586 -21.677 23 H VAL 9 H VAL 9 -3.632 2.592 -21.183 24 HA VAL 9 HA VAL 9 -5.480 0.409 -20.443 25 HB VAL 9 HB VAL 9 -5.149 3.338 -19.767 26 1HG1 VAL 9 1HG1 VAL 9 -7.473 3.206 -19.638 27 2HG1 VAL 9 2HG1 VAL 9 -7.015 2.678 -18.020 28 3HG1 VAL 9 3HG1 VAL 9 -7.456 1.487 -19.244 29 1HG2 VAL 9 1HG2 VAL 9 -4.737 0.695 -18.385 30 2HG2 VAL 9 2HG2 VAL 9 -5.028 2.151 -17.431 31 3HG2 VAL 9 3HG2 VAL 9 -3.633 2.066 -18.507 32 H LYS 10 H LYS 10 -7.564 0.197 -21.347 33 HA LYS 10 HA LYS 10 -8.131 1.839 -23.746 34 1HB LYS 10 2HB LYS 10 -8.605 -0.824 -22.795 35 2HB LYS 10 1HB LYS 10 -10.165 -0.077 -23.146 36 1HG LYS 10 2HG LYS 10 -9.806 -0.369 -25.344 37 2HG LYS 10 1HG LYS 10 -8.375 0.658 -25.238 38 1HD LYS 10 2HD LYS 10 -7.457 -1.690 -24.152 39 2HD LYS 10 1HD LYS 10 -8.571 -2.276 -25.386 40 1HE LYS 10 2HE LYS 10 -7.301 -0.322 -26.791 41 2HE LYS 10 1HE LYS 10 -5.994 -0.846 -25.711 42 1HZ LYS 10 1HZ LYS 10 -6.023 -2.950 -26.525 43 2HZ LYS 10 2HZ LYS 10 -6.564 -2.152 -27.923 44 3HZ LYS 10 3HZ LYS 10 -7.678 -2.918 -26.895 45 HA PRO 11 HA PRO 11 -11.340 4.259 -21.982 46 1HB PRO 11 2HB PRO 11 -13.465 3.926 -23.679 47 2HB PRO 11 1HB PRO 11 -12.030 4.880 -24.107 48 1HG PRO 11 2HG PRO 11 -12.755 2.095 -24.873 49 2HG PRO 11 1HG PRO 11 -11.991 3.368 -25.839 50 1HD PRO 11 2HD PRO 11 -10.606 1.311 -24.728 51 2HD PRO 11 1HD PRO 11 -9.896 2.914 -25.021 52 H GLU 12 H GLU 12 -12.279 0.974 -22.867 53 HA GLU 12 HA GLU 12 -14.583 0.860 -21.088 54 1HB GLU 12 2HB GLU 12 -14.818 -0.701 -22.754 55 2HB GLU 12 1HB GLU 12 -13.079 -0.824 -23.004 56 1HG GLU 12 2HG GLU 12 -12.825 -2.389 -21.241 57 2HG GLU 12 1HG GLU 12 -14.418 -2.023 -20.576 58 H ASP 13 H ASP 13 -11.153 0.478 -20.761 59 HA ASP 13 HA ASP 13 -11.317 -1.106 -18.283 60 1HB ASP 13 2HB ASP 13 -9.215 0.076 -20.070 61 2HB ASP 13 1HB ASP 13 -8.764 -0.342 -18.417 62 H LYS 14 H LYS 14 -10.511 2.196 -19.299 63 HA LYS 14 HA LYS 14 -10.003 3.259 -16.684 64 1HB LYS 14 2HB LYS 14 -9.291 4.360 -18.729 65 2HB LYS 14 1HB LYS 14 -10.956 4.462 -19.297 66 1HG LYS 14 2HG LYS 14 -10.543 6.614 -18.437 67 2HG LYS 14 1HG LYS 14 -11.391 5.803 -17.120 68 1HD LYS 14 2HD LYS 14 -8.857 5.107 -16.506 69 2HD LYS 14 1HD LYS 14 -8.548 6.650 -17.303 70 1HE LYS 14 2HE LYS 14 -10.534 6.249 -15.036 71 2HE LYS 14 1HE LYS 14 -8.917 6.958 -14.860 72 1HZ LYS 14 1HZ LYS 14 -10.016 8.237 -17.022 73 2HZ LYS 14 2HZ LYS 14 -9.835 8.882 -15.461 74 3HZ LYS 14 3HZ LYS 14 -11.296 8.143 -15.914 75 H ALA 15 H ALA 15 -12.891 2.408 -18.394 76 HA ALA 15 HA ALA 15 -14.717 4.125 -16.898 77 1HB ALA 15 1HB ALA 15 -14.873 1.796 -18.799 78 2HB ALA 15 2HB ALA 15 -15.511 3.428 -18.995 79 3HB ALA 15 3HB ALA 15 -16.322 2.288 -17.922 80 H LYS 16 H LYS 16 -13.680 0.723 -16.741 81 HA LYS 16 HA LYS 16 -15.306 0.170 -14.376 82 1HB LYS 16 2HB LYS 16 -14.617 -2.009 -14.761 83 2HB LYS 16 1HB LYS 16 -14.353 -1.328 -16.363 84 1HG LYS 16 2HG LYS 16 -11.989 -0.860 -15.721 85 2HG LYS 16 1HG LYS 16 -12.280 -1.692 -14.194 86 1HD LYS 16 2HD LYS 16 -13.006 -3.113 -16.722 87 2HD LYS 16 1HD LYS 16 -11.297 -2.995 -16.303 88 1HE LYS 16 2HE LYS 16 -11.820 -4.932 -15.137 89 2HE LYS 16 1HE LYS 16 -12.265 -3.743 -13.897 90 1HZ LYS 16 1HZ LYS 16 -14.448 -4.060 -14.241 91 2HZ LYS 16 2HZ LYS 16 -13.970 -5.549 -14.906 92 3HZ LYS 16 3HZ LYS 16 -14.280 -4.222 -15.920 93 H TYR 17 H TYR 17 -12.120 1.363 -15.101 94 HA TYR 17 HA TYR 17 -10.938 0.864 -12.485 95 1HB TYR 17 2HB TYR 17 -10.311 2.831 -14.718 96 2HB TYR 17 1HB TYR 17 -9.252 2.496 -13.352 97 HD1 TYR 17 HD1 TYR 17 -10.853 -0.520 -14.006 98 HD2 TYR 17 HD2 TYR 17 -7.851 2.067 -15.661 99 HE1 TYR 17 HE1 TYR 17 -9.881 -2.437 -15.242 100 HE2 TYR 17 HE2 TYR 17 -6.871 0.149 -16.894 101 HH TYR 17 HH TYR 17 -8.417 -2.629 -17.488 102 H ASP 18 H ASP 18 -12.711 3.485 -14.071 103 HA ASP 18 HA ASP 18 -12.375 5.408 -11.911 104 1HB ASP 18 2HB ASP 18 -13.862 5.100 -14.468 105 2HB ASP 18 1HB ASP 18 -14.570 6.218 -13.301 106 H ALA 19 H ALA 19 -14.492 2.706 -12.480 107 HA ALA 19 HA ALA 19 -16.571 3.618 -10.606 108 1HB ALA 19 1HB ALA 19 -17.706 2.023 -11.756 109 2HB ALA 19 2HB ALA 19 -16.579 0.787 -11.198 110 3HB ALA 19 3HB ALA 19 -16.238 1.689 -12.675 111 H ILE 20 H ILE 20 -13.788 1.417 -10.655 112 HA ILE 20 HA ILE 20 -14.227 0.419 -7.958 113 HB ILE 20 HB ILE 20 -11.948 0.423 -9.959 114 1HG1 ILE 20 2HG1 ILE 20 -13.352 -2.019 -8.944 115 2HG1 ILE 20 1HG1 ILE 20 -14.207 -0.985 -10.090 116 1HG2 ILE 20 1HG2 ILE 20 -10.674 -0.956 -8.508 117 2HG2 ILE 20 2HG2 ILE 20 -12.035 -1.197 -7.413 118 3HG2 ILE 20 3HG2 ILE 20 -11.236 0.373 -7.495 119 1HD1 ILE 20 1HD1 ILE 20 -13.054 -2.533 -11.460 120 2HD1 ILE 20 2HD1 ILE 20 -11.593 -2.444 -10.477 121 3HD1 ILE 20 3HD1 ILE 20 -12.048 -1.085 -11.504 122 H PHE 21 H PHE 21 -12.512 3.007 -9.559 123 HA PHE 21 HA PHE 21 -10.871 3.865 -7.364 124 1HB PHE 21 2HB PHE 21 -10.154 4.705 -9.388 125 2HB PHE 21 1HB PHE 21 -11.787 4.785 -10.038 126 HD1 PHE 21 HD1 PHE 21 -9.186 6.560 -8.157 127 HD2 PHE 21 HD2 PHE 21 -13.234 6.727 -9.582 128 HE1 PHE 21 HE1 PHE 21 -9.239 9.001 -7.724 129 HE2 PHE 21 HE2 PHE 21 -13.288 9.166 -9.146 130 HZ PHE 21 HZ PHE 21 -11.291 10.305 -8.218 131 H ASP 22 H ASP 22 -14.112 4.676 -8.490 132 HA ASP 22 HA ASP 22 -14.533 6.637 -6.320 133 1HB ASP 22 2HB ASP 22 -15.330 7.131 -8.552 134 2HB ASP 22 1HB ASP 22 -16.191 5.593 -8.632 135 H SER 23 H SER 23 -14.724 3.304 -6.647 136 HA SER 23 HA SER 23 -17.208 2.834 -5.169 137 1HB SER 23 2HB SER 23 -15.321 1.391 -6.719 138 2HB SER 23 1HB SER 23 -15.293 0.667 -5.115 139 HG SER 23 HG SER 23 -16.933 -0.313 -6.218 140 H LEU 24 H LEU 24 -13.987 3.689 -4.432 141 HA LEU 24 HA LEU 24 -14.094 2.644 -1.658 142 1HB LEU 24 2HB LEU 24 -11.948 4.312 -2.977 143 2HB LEU 24 1HB LEU 24 -11.767 3.143 -1.671 144 HG LEU 24 HG LEU 24 -12.656 2.375 -4.458 145 1HD1 LEU 24 1HD1 LEU 24 -9.993 1.511 -3.823 146 2HD1 LEU 24 2HD1 LEU 24 -10.086 3.260 -3.631 147 3HD1 LEU 24 3HD1 LEU 24 -10.525 2.517 -5.170 148 1HD2 LEU 24 1HD2 LEU 24 -12.803 0.995 -2.100 149 2HD2 LEU 24 2HD2 LEU 24 -11.212 0.506 -2.687 150 3HD2 LEU 24 3HD2 LEU 24 -12.644 0.231 -3.681 151 H SER 25 H SER 25 -13.509 5.677 -3.386 152 HA SER 25 HA SER 25 -15.056 7.627 -2.545 153 1HB SER 25 2HB SER 25 -15.299 6.972 -0.290 154 2HB SER 25 1HB SER 25 -13.581 6.640 -0.107 155 HG SER 25 HG SER 25 -14.816 8.826 0.537 156 HA PRO 26 HA PRO 26 -11.121 9.111 -4.186 157 1HB PRO 26 2HB PRO 26 -12.261 11.007 -5.785 158 2HB PRO 26 1HB PRO 26 -12.144 9.297 -6.248 159 1HG PRO 26 2HG PRO 26 -14.461 10.803 -5.148 160 2HG PRO 26 1HG PRO 26 -14.422 9.564 -6.412 161 1HD PRO 26 2HD PRO 26 -15.195 9.057 -3.844 162 2HD PRO 26 1HD PRO 26 -14.451 7.835 -4.898 163 H VAL 27 H VAL 27 -9.943 10.925 -3.593 164 HA VAL 27 HA VAL 27 -11.351 12.988 -1.928 165 HB VAL 27 HB VAL 27 -8.460 12.086 -1.758 166 1HG1 VAL 27 1HG1 VAL 27 -10.241 13.373 0.324 167 2HG1 VAL 27 2HG1 VAL 27 -9.203 14.299 -0.761 168 3HG1 VAL 27 3HG1 VAL 27 -8.490 13.164 0.387 169 1HG2 VAL 27 1HG2 VAL 27 -9.689 10.105 -1.279 170 2HG2 VAL 27 2HG2 VAL 27 -10.944 10.998 -0.420 171 3HG2 VAL 27 3HG2 VAL 27 -9.345 10.812 0.299 172 H ASN 28 H ASN 28 -11.479 14.817 -3.220 173 HA ASN 28 HA ASN 28 -10.834 16.461 -4.791 174 1HB ASN 28 2HB ASN 28 -9.018 17.574 -3.925 175 2HB ASN 28 1HB ASN 28 -9.162 16.373 -2.646 176 1HD2 ASN 28 1HD2 ASN 28 -7.295 17.255 -5.542 177 2HD2 ASN 28 2HD2 ASN 28 -6.001 16.200 -5.237 178 H GLY 29 H GLY 29 -10.592 13.489 -5.503 179 1HA GLY 29 2HA GLY 29 -10.205 12.655 -7.737 180 2HA GLY 29 1HA GLY 29 -8.995 13.918 -7.968 181 H PHE 30 H PHE 30 -9.171 11.825 -5.120 182 HA PHE 30 HA PHE 30 -6.870 10.228 -6.094 183 1HB PHE 30 2HB PHE 30 -6.839 12.179 -3.794 184 2HB PHE 30 1HB PHE 30 -5.632 10.895 -3.965 185 HD1 PHE 30 HD1 PHE 30 -6.864 14.074 -5.258 186 HD2 PHE 30 HD2 PHE 30 -4.160 10.817 -5.945 187 HE1 PHE 30 HE1 PHE 30 -5.664 15.435 -6.933 188 HE2 PHE 30 HE2 PHE 30 -2.938 12.185 -7.622 189 HZ PHE 30 HZ PHE 30 -3.691 14.498 -8.118 190 H LEU 31 H LEU 31 -6.595 8.295 -5.038 191 HA LEU 31 HA LEU 31 -8.632 7.579 -2.947 192 1HB LEU 31 2HB LEU 31 -7.304 6.146 -5.236 193 2HB LEU 31 1HB LEU 31 -7.788 5.204 -3.829 194 HG LEU 31 HG LEU 31 -9.546 6.819 -5.679 195 1HD1 LEU 31 1HD1 LEU 31 -9.484 4.691 -6.530 196 2HD1 LEU 31 2HD1 LEU 31 -10.723 4.427 -5.302 197 3HD1 LEU 31 3HD1 LEU 31 -9.048 3.971 -4.980 198 1HD2 LEU 31 1HD2 LEU 31 -10.499 7.408 -3.616 199 2HD2 LEU 31 2HD2 LEU 31 -10.017 5.892 -2.851 200 3HD2 LEU 31 3HD2 LEU 31 -11.357 5.915 -4.001 201 H SER 32 H SER 32 -7.748 6.475 -1.064 202 HA SER 32 HA SER 32 -4.865 7.003 -0.678 203 1HB SER 32 2HB SER 32 -5.861 5.873 1.633 204 2HB SER 32 1HB SER 32 -5.854 7.600 1.283 205 HG SER 32 HG SER 32 -7.931 7.506 0.718 206 H GLY 33 H GLY 33 -3.323 5.396 -0.368 207 1HA GLY 33 2HA GLY 33 -3.518 2.924 -1.621 208 2HA GLY 33 1HA GLY 33 -2.457 3.195 -0.239 209 H ASP 34 H ASP 34 -4.854 3.881 1.430 210 HA ASP 34 HA ASP 34 -5.371 1.241 2.498 211 1HB ASP 34 2HB ASP 34 -6.844 3.835 3.029 212 2HB ASP 34 1HB ASP 34 -6.636 2.475 4.132 213 H LYS 35 H LYS 35 -6.959 3.252 0.108 214 HA LYS 35 HA LYS 35 -9.476 1.687 0.266 215 1HB LYS 35 2HB LYS 35 -8.439 4.113 -1.213 216 2HB LYS 35 1HB LYS 35 -9.951 3.346 -1.692 217 1HG LYS 35 2HG LYS 35 -10.877 3.676 0.540 218 2HG LYS 35 1HG LYS 35 -9.339 4.324 1.111 219 1HD LYS 35 2HD LYS 35 -9.705 5.987 -0.948 220 2HD LYS 35 1HD LYS 35 -11.397 5.592 -0.641 221 1HE LYS 35 2HE LYS 35 -9.582 6.386 1.638 222 2HE LYS 35 1HE LYS 35 -10.394 7.615 0.649 223 1HZ LYS 35 1HZ LYS 35 -11.526 5.708 2.513 224 2HZ LYS 35 2HZ LYS 35 -12.361 5.841 1.042 225 3HZ LYS 35 3HZ LYS 35 -12.119 7.214 2.012 226 H VAL 36 H VAL 36 -6.650 2.275 -1.747 227 HA VAL 36 HA VAL 36 -7.508 0.505 -3.920 228 HB VAL 36 HB VAL 36 -4.840 1.706 -3.127 229 1HG1 VAL 36 1HG1 VAL 36 -5.627 0.954 -5.921 230 2HG1 VAL 36 2HG1 VAL 36 -5.057 -0.300 -4.816 231 3HG1 VAL 36 3HG1 VAL 36 -4.018 1.070 -5.206 232 1HG2 VAL 36 1HG2 VAL 36 -6.286 2.866 -5.395 233 2HG2 VAL 36 2HG2 VAL 36 -5.553 3.666 -4.005 234 3HG2 VAL 36 3HG2 VAL 36 -7.179 2.998 -3.880 235 H LYS 37 H LYS 37 -5.180 0.341 -1.223 236 HA LYS 37 HA LYS 37 -3.876 -2.030 -1.625 237 1HB LYS 37 2HB LYS 37 -3.479 -0.722 0.330 238 2HB LYS 37 1HB LYS 37 -5.157 -0.856 0.849 239 1HG LYS 37 2HG LYS 37 -4.848 -2.924 1.761 240 2HG LYS 37 1HG LYS 37 -3.739 -3.427 0.484 241 1HD LYS 37 2HD LYS 37 -1.992 -1.936 1.499 242 2HD LYS 37 1HD LYS 37 -3.097 -1.627 2.838 243 1HE LYS 37 2HE LYS 37 -3.206 -4.272 2.961 244 2HE LYS 37 1HE LYS 37 -1.636 -4.156 2.141 245 1HZ LYS 37 1HZ LYS 37 -0.684 -3.134 3.895 246 2HZ LYS 37 2HZ LYS 37 -1.918 -3.897 4.778 247 3HZ LYS 37 3HZ LYS 37 -2.085 -2.273 4.307 248 HA PRO 38 HA PRO 38 -7.594 -4.617 0.009 249 1HB PRO 38 2HB PRO 38 -10.043 -3.381 -0.017 250 2HB PRO 38 1HB PRO 38 -8.986 -3.407 1.410 251 1HG PRO 38 2HG PRO 38 -9.391 -1.256 -0.611 252 2HG PRO 38 1HG PRO 38 -9.223 -1.132 1.147 253 1HD PRO 38 2HD PRO 38 -7.193 -0.573 -0.530 254 2HD PRO 38 1HD PRO 38 -6.927 -1.283 1.078 255 H VAL 39 H VAL 39 -8.152 -2.139 -2.433 256 HA VAL 39 HA VAL 39 -9.878 -3.656 -4.163 257 HB VAL 39 HB VAL 39 -8.094 -1.244 -4.304 258 1HG1 VAL 39 1HG1 VAL 39 -7.726 -1.453 -6.511 259 2HG1 VAL 39 2HG1 VAL 39 -9.469 -1.349 -6.757 260 3HG1 VAL 39 3HG1 VAL 39 -8.699 -2.922 -6.588 261 1HG2 VAL 39 1HG2 VAL 39 -10.419 -1.169 -3.386 262 2HG2 VAL 39 2HG2 VAL 39 -11.021 -1.671 -4.966 263 3HG2 VAL 39 3HG2 VAL 39 -10.196 -0.122 -4.789 264 H LEU 40 H LEU 40 -6.375 -3.453 -3.742 265 HA LEU 40 HA LEU 40 -5.859 -5.124 -6.128 266 1HB LEU 40 2HB LEU 40 -4.032 -4.043 -3.959 267 2HB LEU 40 1HB LEU 40 -3.538 -4.651 -5.542 268 HG LEU 40 HG LEU 40 -5.470 -2.355 -5.204 269 1HD1 LEU 40 1HD1 LEU 40 -3.594 -1.356 -4.346 270 2HD1 LEU 40 2HD1 LEU 40 -3.276 -1.121 -6.064 271 3HD1 LEU 40 3HD1 LEU 40 -2.487 -2.435 -5.189 272 1HD2 LEU 40 1HD2 LEU 40 -3.769 -3.323 -7.510 273 2HD2 LEU 40 2HD2 LEU 40 -4.871 -1.944 -7.552 274 3HD2 LEU 40 3HD2 LEU 40 -5.507 -3.578 -7.338 275 H LEU 41 H LEU 41 -6.012 -5.416 -2.622 276 HA LEU 41 HA LEU 41 -4.721 -7.992 -2.433 277 1HB LEU 41 2HB LEU 41 -6.683 -6.430 -0.733 278 2HB LEU 41 1HB LEU 41 -5.982 -7.963 -0.217 279 HG LEU 41 HG LEU 41 -4.261 -5.656 -1.121 280 1HD1 LEU 41 1HD1 LEU 41 -5.508 -6.222 1.563 281 2HD1 LEU 41 2HD1 LEU 41 -5.385 -4.684 0.707 282 3HD1 LEU 41 3HD1 LEU 41 -3.953 -5.398 1.452 283 1HD2 LEU 41 1HD2 LEU 41 -3.127 -7.313 0.902 284 2HD2 LEU 41 2HD2 LEU 41 -2.640 -7.187 -0.789 285 3HD2 LEU 41 3HD2 LEU 41 -3.850 -8.377 -0.306 286 H ASN 42 H ASN 42 -7.748 -6.887 -3.593 287 HA ASN 42 HA ASN 42 -9.117 -9.450 -3.134 288 1HB ASN 42 2HB ASN 42 -10.320 -7.340 -2.861 289 2HB ASN 42 1HB ASN 42 -9.880 -6.849 -4.496 290 1HD2 ASN 42 1HD2 ASN 42 -11.810 -6.937 -5.674 291 2HD2 ASN 42 2HD2 ASN 42 -12.867 -8.266 -5.695 292 H SER 43 H SER 43 -6.927 -8.238 -5.353 293 HA SER 43 HA SER 43 -8.062 -9.349 -7.816 294 1HB SER 43 2HB SER 43 -5.969 -8.556 -8.757 295 2HB SER 43 1HB SER 43 -6.549 -7.347 -7.616 296 HG SER 43 HG SER 43 -4.278 -7.966 -7.428 297 H LYS 44 H LYS 44 -7.133 -10.980 -5.206 298 HA LYS 44 HA LYS 44 -6.335 -13.172 -4.861 299 1HB LYS 44 2HB LYS 44 -7.635 -14.135 -6.481 300 2HB LYS 44 1HB LYS 44 -7.191 -12.933 -7.687 301 1HG LYS 44 2HG LYS 44 -4.964 -14.077 -7.915 302 2HG LYS 44 1HG LYS 44 -5.556 -15.339 -6.834 303 1HD LYS 44 2HD LYS 44 -7.340 -14.674 -9.102 304 2HD LYS 44 1HD LYS 44 -5.811 -15.437 -9.540 305 1HE LYS 44 2HE LYS 44 -6.297 -17.213 -7.794 306 2HE LYS 44 1HE LYS 44 -7.922 -16.513 -7.645 307 1HZ LYS 44 1HZ LYS 44 -7.968 -18.224 -9.313 308 2HZ LYS 44 2HZ LYS 44 -6.649 -17.531 -10.131 309 3HZ LYS 44 3HZ LYS 44 -8.142 -16.721 -10.079 310 H LEU 45 H LEU 45 -4.562 -10.732 -5.996 311 HA LEU 45 HA LEU 45 -2.149 -12.324 -6.715 312 1HB LEU 45 2HB LEU 45 -3.107 -9.494 -7.015 313 2HB LEU 45 1HB LEU 45 -1.374 -9.817 -7.072 314 HG LEU 45 HG LEU 45 -3.467 -11.158 -8.809 315 1HD1 LEU 45 1HD1 LEU 45 -1.285 -9.396 -9.852 316 2HD1 LEU 45 2HD1 LEU 45 -2.689 -8.627 -9.115 317 3HD1 LEU 45 3HD1 LEU 45 -2.896 -9.689 -10.505 318 1HD2 LEU 45 1HD2 LEU 45 -1.840 -12.591 -9.492 319 2HD2 LEU 45 2HD2 LEU 45 -0.963 -12.099 -8.042 320 3HD2 LEU 45 3HD2 LEU 45 -0.637 -11.305 -9.581 321 HA PRO 46 HA PRO 46 -0.442 -11.646 -2.737 322 1HB PRO 46 2HB PRO 46 2.224 -11.757 -3.342 323 2HB PRO 46 1HB PRO 46 1.179 -13.188 -3.316 324 1HG PRO 46 2HG PRO 46 2.186 -11.628 -5.622 325 2HG PRO 46 1HG PRO 46 1.910 -13.368 -5.465 326 1HD PRO 46 2HD PRO 46 0.213 -11.640 -6.758 327 2HD PRO 46 1HD PRO 46 -0.276 -13.205 -6.078 328 H VAL 47 H VAL 47 1.223 -10.092 -1.644 329 HA VAL 47 HA VAL 47 0.645 -7.387 -2.444 330 HB VAL 47 HB VAL 47 1.888 -8.919 -0.291 331 1HG1 VAL 47 1HG1 VAL 47 3.931 -7.728 -1.050 332 2HG1 VAL 47 2HG1 VAL 47 3.400 -7.190 0.544 333 3HG1 VAL 47 3HG1 VAL 47 3.078 -6.194 -0.875 334 1HG2 VAL 47 1HG2 VAL 47 -0.105 -7.830 0.227 335 2HG2 VAL 47 2HG2 VAL 47 0.358 -6.360 -0.633 336 3HG2 VAL 47 3HG2 VAL 47 1.096 -6.741 0.922 337 H ASP 48 H ASP 48 2.838 -9.655 -3.637 338 HA ASP 48 HA ASP 48 5.073 -7.865 -4.151 339 1HB ASP 48 2HB ASP 48 4.235 -10.605 -5.145 340 2HB ASP 48 1HB ASP 48 5.755 -9.840 -5.611 341 H ILE 49 H ILE 49 2.157 -8.907 -5.803 342 HA ILE 49 HA ILE 49 2.934 -7.604 -8.327 343 HB ILE 49 HB ILE 49 0.172 -8.544 -7.549 344 1HG1 ILE 49 2HG1 ILE 49 1.620 -10.348 -6.820 345 2HG1 ILE 49 1HG1 ILE 49 0.866 -10.824 -8.340 346 1HG2 ILE 49 1HG2 ILE 49 1.735 -8.045 -10.026 347 2HG2 ILE 49 2HG2 ILE 49 0.025 -7.773 -9.698 348 3HG2 ILE 49 3HG2 ILE 49 0.605 -9.398 -10.063 349 1HD1 ILE 49 1HD1 ILE 49 3.326 -11.307 -8.246 350 2HD1 ILE 49 2HD1 ILE 49 3.615 -9.570 -8.141 351 3HD1 ILE 49 3HD1 ILE 49 2.860 -10.255 -9.582 352 H LEU 50 H LEU 50 0.671 -7.138 -5.648 353 HA LEU 50 HA LEU 50 -0.444 -4.649 -6.613 354 1HB LEU 50 2HB LEU 50 -0.196 -5.608 -3.756 355 2HB LEU 50 1HB LEU 50 -1.465 -4.604 -4.449 356 HG LEU 50 HG LEU 50 -0.955 -7.538 -5.021 357 1HD1 LEU 50 1HD1 LEU 50 -3.225 -6.025 -3.704 358 2HD1 LEU 50 2HD1 LEU 50 -2.127 -7.173 -2.936 359 3HD1 LEU 50 3HD1 LEU 50 -3.293 -7.735 -4.134 360 1HD2 LEU 50 1HD2 LEU 50 -1.973 -7.229 -7.007 361 2HD2 LEU 50 2HD2 LEU 50 -2.128 -5.503 -6.679 362 3HD2 LEU 50 3HD2 LEU 50 -3.393 -6.615 -6.161 363 H GLY 51 H GLY 51 2.369 -5.601 -4.733 364 1HA GLY 51 2HA GLY 51 2.976 -2.962 -3.709 365 2HA GLY 51 1HA GLY 51 4.109 -4.314 -3.797 366 H ARG 52 H ARG 52 3.450 -4.660 -6.671 367 HA ARG 52 HA ARG 52 5.277 -2.562 -7.722 368 1HB ARG 52 2HB ARG 52 5.252 -5.293 -7.898 369 2HB ARG 52 1HB ARG 52 4.465 -4.833 -9.409 370 1HG ARG 52 2HG ARG 52 6.325 -3.390 -10.000 371 2HG ARG 52 1HG ARG 52 7.090 -3.679 -8.439 372 1HD ARG 52 2HD ARG 52 6.572 -5.787 -10.565 373 2HD ARG 52 1HD ARG 52 8.150 -5.086 -10.151 374 HE ARG 52 HE ARG 52 6.500 -6.752 -8.293 375 1HH1 ARG 52 1HH2 ARG 52 8.306 -4.826 -6.900 376 2HH1 ARG 52 2HH2 ARG 52 9.756 -5.754 -6.708 377 1HH2 ARG 52 2HH1 ARG 52 8.856 -8.138 -9.060 378 2HH2 ARG 52 1HH1 ARG 52 10.068 -7.630 -7.931 379 H VAL 53 H VAL 53 2.025 -3.922 -8.115 380 HA VAL 53 HA VAL 53 1.449 -2.530 -10.593 381 HB VAL 53 HB VAL 53 -0.117 -3.885 -8.401 382 1HG1 VAL 53 1HG1 VAL 53 -1.105 -1.837 -10.206 383 2HG1 VAL 53 2HG1 VAL 53 -1.962 -2.690 -8.923 384 3HG1 VAL 53 3HG1 VAL 53 -1.879 -3.386 -10.541 385 1HG2 VAL 53 1HG2 VAL 53 1.199 -5.005 -10.365 386 2HG2 VAL 53 2HG2 VAL 53 -0.149 -4.452 -11.367 387 3HG2 VAL 53 3HG2 VAL 53 -0.441 -5.562 -10.024 388 H TRP 54 H TRP 54 1.109 -1.774 -7.153 389 HA TRP 54 HA TRP 54 -0.369 0.684 -7.527 390 1HB TRP 54 2HB TRP 54 -0.423 -0.258 -5.357 391 2HB TRP 54 1HB TRP 54 1.320 -0.540 -5.340 392 HD1 TRP 54 HD1 TRP 54 2.890 1.708 -5.266 393 HE1 TRP 54 HE1 TRP 54 2.479 3.961 -4.129 394 HE3 TRP 54 HE3 TRP 54 -2.153 1.401 -4.536 395 HZ2 TRP 54 HZ2 TRP 54 0.291 5.446 -2.995 396 HZ3 TRP 54 HZ3 TRP 54 -3.374 3.251 -3.410 397 HH2 TRP 54 HH2 TRP 54 -2.160 5.262 -2.649 398 H GLU 55 H GLU 55 3.113 0.036 -6.868 399 HA GLU 55 HA GLU 55 4.031 2.687 -6.980 400 1HB GLU 55 2HB GLU 55 5.259 0.064 -7.841 401 2HB GLU 55 1HB GLU 55 6.178 1.567 -7.722 402 1HG GLU 55 2HG GLU 55 4.494 0.778 -5.397 403 2HG GLU 55 1HG GLU 55 6.002 -0.101 -5.656 404 H LEU 56 H LEU 56 3.917 0.385 -9.722 405 HA LEU 56 HA LEU 56 4.624 2.324 -11.718 406 1HB LEU 56 2HB LEU 56 2.976 -0.229 -11.861 407 2HB LEU 56 1HB LEU 56 3.687 0.591 -13.249 408 HG LEU 56 HG LEU 56 5.577 0.014 -11.049 409 1HD1 LEU 56 1HD1 LEU 56 3.779 -2.024 -11.880 410 2HD1 LEU 56 2HD1 LEU 56 5.216 -2.198 -10.873 411 3HD1 LEU 56 3HD1 LEU 56 5.339 -2.376 -12.622 412 1HD2 LEU 56 1HD2 LEU 56 6.996 0.307 -12.790 413 2HD2 LEU 56 2HD2 LEU 56 5.600 0.571 -13.832 414 3HD2 LEU 56 3HD2 LEU 56 6.262 -1.051 -13.646 415 H SER 57 H SER 57 1.810 1.880 -9.833 416 HA SER 57 HA SER 57 -0.024 3.195 -11.762 417 1HB SER 57 2HB SER 57 -0.201 1.728 -9.155 418 2HB SER 57 1HB SER 57 -1.539 2.753 -9.664 419 HG SER 57 HG SER 57 -0.701 0.333 -10.617 420 H ASP 58 H ASP 58 1.407 3.717 -8.528 421 HA ASP 58 HA ASP 58 0.086 6.225 -8.033 422 1HB ASP 58 2HB ASP 58 1.839 4.399 -6.756 423 2HB ASP 58 1HB ASP 58 2.612 5.986 -6.695 424 H ILE 59 H ILE 59 0.481 7.327 -10.139 425 HA ILE 59 HA ILE 59 3.057 7.958 -11.168 426 HB ILE 59 HB ILE 59 0.518 9.631 -11.149 427 1HG1 ILE 59 2HG1 ILE 59 0.206 7.258 -11.942 428 2HG1 ILE 59 1HG1 ILE 59 -0.094 8.463 -13.189 429 1HG2 ILE 59 1HG2 ILE 59 1.411 10.549 -13.249 430 2HG2 ILE 59 2HG2 ILE 59 2.844 9.534 -13.093 431 3HG2 ILE 59 3HG2 ILE 59 2.544 10.820 -11.924 432 1HD1 ILE 59 1HD1 ILE 59 2.537 7.000 -12.824 433 2HD1 ILE 59 2HD1 ILE 59 2.117 8.099 -14.140 434 3HD1 ILE 59 3HD1 ILE 59 1.294 6.543 -13.993 435 H ASP 60 H ASP 60 1.341 9.094 -8.372 436 HA ASP 60 HA ASP 60 3.236 11.376 -7.995 437 1HB ASP 60 2HB ASP 60 0.875 10.715 -6.244 438 2HB ASP 60 1HB ASP 60 1.560 12.294 -6.620 439 H HIS 61 H HIS 61 2.723 8.150 -7.059 440 HA HIS 61 HA HIS 61 3.457 6.855 -5.210 441 1HB HIS 61 2HB HIS 61 5.896 7.139 -4.962 442 2HB HIS 61 1HB HIS 61 5.424 7.248 -6.656 443 HD1 HIS 61 HD1 HIS 61 6.183 9.549 -3.714 444 HD2 HIS 61 HD2 HIS 61 6.199 9.612 -7.883 445 HE1 HIS 61 HE1 HIS 61 7.175 11.778 -4.392 446 H ASP 62 H ASP 62 1.803 8.829 -4.185 447 HA ASP 62 HA ASP 62 3.309 9.834 -1.790 448 1HB ASP 62 2HB ASP 62 1.536 11.578 -1.746 449 2HB ASP 62 1HB ASP 62 2.394 11.575 -3.286 450 H GLY 63 H GLY 63 1.577 7.285 -2.627 451 1HA GLY 63 2HA GLY 63 0.527 5.731 -1.155 452 2HA GLY 63 1HA GLY 63 0.338 7.022 0.033 453 H MET 64 H MET 64 -0.613 7.467 -3.324 454 HA MET 64 HA MET 64 -3.455 6.971 -2.648 455 1HB MET 64 2HB MET 64 -2.224 9.643 -3.318 456 2HB MET 64 1HB MET 64 -3.952 9.334 -3.462 457 1HG MET 64 2HG MET 64 -4.086 8.749 -1.109 458 2HG MET 64 1HG MET 64 -2.339 8.950 -0.934 459 1HE MET 64 1HE MET 64 -5.378 9.889 -0.316 460 2HE MET 64 2HE MET 64 -5.792 11.519 -0.847 461 3HE MET 64 3HE MET 64 -4.972 11.283 0.694 462 H LEU 65 H LEU 65 -4.867 7.122 -4.582 463 HA LEU 65 HA LEU 65 -3.401 6.991 -7.194 464 1HB LEU 65 2HB LEU 65 -5.196 5.009 -5.825 465 2HB LEU 65 1HB LEU 65 -5.185 5.076 -7.587 466 HG LEU 65 HG LEU 65 -2.746 4.699 -5.826 467 1HD1 LEU 65 1HD1 LEU 65 -2.741 2.425 -6.607 468 2HD1 LEU 65 2HD1 LEU 65 -4.043 2.754 -7.751 469 3HD1 LEU 65 3HD1 LEU 65 -4.369 2.758 -6.019 470 1HD2 LEU 65 1HD2 LEU 65 -1.543 5.264 -7.645 471 2HD2 LEU 65 2HD2 LEU 65 -3.037 5.646 -8.501 472 3HD2 LEU 65 3HD2 LEU 65 -2.366 4.017 -8.583 473 H ASP 66 H ASP 66 -4.288 8.750 -8.284 474 HA ASP 66 HA ASP 66 -6.978 9.726 -7.810 475 1HB ASP 66 2HB ASP 66 -5.430 11.331 -8.498 476 2HB ASP 66 1HB ASP 66 -4.712 10.267 -9.703 477 H ARG 67 H ARG 67 -8.471 10.018 -9.771 478 HA ARG 67 HA ARG 67 -9.537 7.572 -10.638 479 1HB ARG 67 2HB ARG 67 -10.785 8.948 -12.207 480 2HB ARG 67 1HB ARG 67 -10.554 9.875 -10.726 481 1HG ARG 67 2HG ARG 67 -8.489 10.881 -11.804 482 2HG ARG 67 1HG ARG 67 -9.006 10.127 -13.313 483 1HD ARG 67 2HD ARG 67 -10.609 12.136 -11.687 484 2HD ARG 67 1HD ARG 67 -9.843 12.430 -13.260 485 HE ARG 67 HE ARG 67 -12.117 10.543 -12.807 486 1HH1 ARG 67 1HH2 ARG 67 -11.008 13.159 -14.573 487 2HH1 ARG 67 2HH2 ARG 67 -11.482 12.548 -16.123 488 1HH2 ARG 67 2HH1 ARG 67 -12.324 9.403 -14.921 489 2HH2 ARG 67 1HH1 ARG 67 -12.230 10.420 -16.319 490 H ASP 68 H ASP 68 -7.175 9.648 -12.302 491 HA ASP 68 HA ASP 68 -6.942 7.841 -14.596 492 1HB ASP 68 2HB ASP 68 -6.598 10.432 -14.363 493 2HB ASP 68 1HB ASP 68 -4.986 9.995 -13.795 494 H GLU 69 H GLU 69 -5.180 8.515 -11.621 495 HA GLU 69 HA GLU 69 -2.875 6.870 -12.188 496 1HB GLU 69 2HB GLU 69 -3.493 8.760 -10.399 497 2HB GLU 69 1HB GLU 69 -3.929 7.351 -9.430 498 1HG GLU 69 2HG GLU 69 -1.738 6.450 -9.560 499 2HG GLU 69 1HG GLU 69 -1.279 7.552 -10.856 500 H PHE 70 H PHE 70 -5.768 6.387 -10.165 501 HA PHE 70 HA PHE 70 -5.371 3.715 -9.382 502 1HB PHE 70 2HB PHE 70 -7.156 5.469 -8.756 503 2HB PHE 70 1HB PHE 70 -8.009 4.955 -10.209 504 HD1 PHE 70 HD1 PHE 70 -7.179 4.147 -6.766 505 HD2 PHE 70 HD2 PHE 70 -8.741 2.558 -10.437 506 HE1 PHE 70 HE1 PHE 70 -8.151 2.239 -5.523 507 HE2 PHE 70 HE2 PHE 70 -9.714 0.646 -9.192 508 HZ PHE 70 HZ PHE 70 -9.421 0.491 -6.734 509 H ALA 71 H ALA 71 -6.323 5.082 -12.461 510 HA ALA 71 HA ALA 71 -7.464 2.749 -13.677 511 1HB ALA 71 1HB ALA 71 -7.525 5.159 -14.450 512 2HB ALA 71 2HB ALA 71 -7.112 4.005 -15.720 513 3HB ALA 71 3HB ALA 71 -5.844 4.970 -14.956 514 H VAL 72 H VAL 72 -4.173 4.091 -13.868 515 HA VAL 72 HA VAL 72 -2.957 2.078 -15.421 516 HB VAL 72 HB VAL 72 -1.902 3.706 -13.081 517 1HG1 VAL 72 1HG1 VAL 72 -0.627 1.842 -15.003 518 2HG1 VAL 72 2HG1 VAL 72 -0.122 2.303 -13.381 519 3HG1 VAL 72 3HG1 VAL 72 0.213 3.371 -14.743 520 1HG2 VAL 72 1HG2 VAL 72 -1.827 4.238 -16.073 521 2HG2 VAL 72 2HG2 VAL 72 -1.188 5.296 -14.812 522 3HG2 VAL 72 3HG2 VAL 72 -2.930 5.021 -14.940 523 H ALA 73 H ALA 73 -3.999 2.004 -12.070 524 HA ALA 73 HA ALA 73 -2.403 -0.397 -11.410 525 1HB ALA 73 1HB ALA 73 -4.597 0.931 -9.820 526 2HB ALA 73 2HB ALA 73 -2.970 1.617 -9.934 527 3HB ALA 73 3HB ALA 73 -3.211 0.021 -9.213 528 H MET 74 H MET 74 -5.427 0.124 -12.924 529 HA MET 74 HA MET 74 -6.603 -2.334 -11.753 530 1HB MET 74 2HB MET 74 -7.674 -0.655 -14.022 531 2HB MET 74 1HB MET 74 -8.586 -1.669 -12.912 532 1HG MET 74 2HG MET 74 -7.444 1.061 -12.503 533 2HG MET 74 1HG MET 74 -9.003 0.420 -12.006 534 1HE MET 74 1HE MET 74 -7.342 -2.460 -10.010 535 2HE MET 74 2HE MET 74 -8.731 -1.934 -10.957 536 3HE MET 74 3HE MET 74 -8.692 -1.633 -9.221 537 H PHE 75 H PHE 75 -5.358 -1.220 -14.901 538 HA PHE 75 HA PHE 75 -5.808 -3.849 -16.111 539 1HB PHE 75 2HB PHE 75 -5.153 -2.766 -18.070 540 2HB PHE 75 1HB PHE 75 -5.654 -1.377 -17.112 541 HD1 PHE 75 HD1 PHE 75 -2.786 -3.257 -18.450 542 HD2 PHE 75 HD2 PHE 75 -4.019 0.153 -16.149 543 HE1 PHE 75 HE1 PHE 75 -0.499 -2.315 -18.621 544 HE2 PHE 75 HE2 PHE 75 -1.736 1.092 -16.319 545 HZ PHE 75 HZ PHE 75 0.028 -0.140 -17.556 546 H LEU 76 H LEU 76 -3.403 -2.309 -14.185 547 HA LEU 76 HA LEU 76 -1.144 -3.998 -14.946 548 1HB LEU 76 2HB LEU 76 -1.849 -1.870 -13.010 549 2HB LEU 76 1HB LEU 76 -0.613 -2.997 -12.452 550 HG LEU 76 HG LEU 76 -0.560 -1.387 -15.021 551 1HD1 LEU 76 1HD1 LEU 76 0.806 -1.205 -12.352 552 2HD1 LEU 76 2HD1 LEU 76 0.118 0.082 -13.342 553 3HD1 LEU 76 3HD1 LEU 76 1.654 -0.653 -13.796 554 1HD2 LEU 76 1HD2 LEU 76 1.932 -2.646 -14.412 555 2HD2 LEU 76 2HD2 LEU 76 0.901 -2.906 -15.818 556 3HD2 LEU 76 3HD2 LEU 76 0.679 -3.886 -14.369 557 H VAL 77 H VAL 77 -3.848 -4.149 -12.750 558 HA VAL 77 HA VAL 77 -2.758 -6.457 -11.256 559 HB VAL 77 HB VAL 77 -5.208 -4.677 -11.151 560 1HG1 VAL 77 1HG1 VAL 77 -6.299 -6.582 -10.450 561 2HG1 VAL 77 2HG1 VAL 77 -5.500 -6.182 -8.928 562 3HG1 VAL 77 3HG1 VAL 77 -4.804 -7.401 -9.997 563 1HG2 VAL 77 1HG2 VAL 77 -4.104 -4.745 -8.667 564 2HG2 VAL 77 2HG2 VAL 77 -3.623 -3.588 -9.907 565 3HG2 VAL 77 3HG2 VAL 77 -2.673 -5.051 -9.650 566 H TYR 78 H TYR 78 -5.736 -5.730 -13.112 567 HA TYR 78 HA TYR 78 -6.730 -8.339 -13.327 568 1HB TYR 78 2HB TYR 78 -6.943 -5.763 -14.756 569 2HB TYR 78 1HB TYR 78 -7.435 -7.171 -15.698 570 HD1 TYR 78 HD1 TYR 78 -8.776 -4.698 -13.793 571 HD2 TYR 78 HD2 TYR 78 -8.676 -8.992 -13.927 572 HE1 TYR 78 HE1 TYR 78 -10.913 -4.786 -12.538 573 HE2 TYR 78 HE2 TYR 78 -10.814 -9.078 -12.671 574 HH TYR 78 HH TYR 78 -12.896 -6.735 -12.426 575 H CYS 79 H CYS 79 -3.949 -6.952 -14.872 576 HA CYS 79 HA CYS 79 -3.854 -8.923 -17.048 577 1HB CYS 79 2HB CYS 79 -2.220 -6.617 -16.027 578 2HB CYS 79 1HB CYS 79 -1.485 -7.746 -17.164 579 HG CYS 79 HG CYS 79 -4.058 -7.048 -18.387 580 H ALA 80 H ALA 80 -2.850 -8.758 -13.743 581 HA ALA 80 HA ALA 80 -0.700 -10.754 -14.083 582 1HB ALA 80 1HB ALA 80 -0.072 -9.409 -12.346 583 2HB ALA 80 2HB ALA 80 -1.141 -10.436 -11.392 584 3HB ALA 80 3HB ALA 80 -1.730 -8.900 -12.028 585 H LEU 81 H LEU 81 -4.071 -10.685 -13.682 586 HA LEU 81 HA LEU 81 -4.242 -13.249 -12.228 587 1HB LEU 81 2HB LEU 81 -6.190 -11.247 -13.377 588 2HB LEU 81 1HB LEU 81 -6.728 -12.779 -12.686 589 HG LEU 81 HG LEU 81 -5.210 -12.074 -10.666 590 1HD1 LEU 81 1HD1 LEU 81 -4.205 -10.149 -11.738 591 2HD1 LEU 81 2HD1 LEU 81 -5.203 -9.598 -10.389 592 3HD1 LEU 81 3HD1 LEU 81 -5.793 -9.447 -12.045 593 1HD2 LEU 81 1HD2 LEU 81 -7.916 -10.908 -11.362 594 2HD2 LEU 81 2HD2 LEU 81 -7.191 -10.729 -9.763 595 3HD2 LEU 81 3HD2 LEU 81 -7.575 -12.335 -10.383 596 H GLU 82 H GLU 82 -4.839 -11.900 -15.445 597 HA GLU 82 HA GLU 82 -5.824 -14.367 -16.601 598 1HB GLU 82 2HB GLU 82 -4.575 -11.931 -17.906 599 2HB GLU 82 1HB GLU 82 -5.669 -13.085 -18.669 600 1HG GLU 82 2HG GLU 82 -7.009 -12.230 -16.352 601 2HG GLU 82 1HG GLU 82 -6.305 -10.769 -17.043 602 H LYS 83 H LYS 83 -2.727 -12.612 -16.896 603 HA LYS 83 HA LYS 83 -1.084 -14.944 -16.747 604 1HB LYS 83 2HB LYS 83 -2.509 -14.509 -19.216 605 2HB LYS 83 1HB LYS 83 -0.770 -14.473 -19.495 606 1HG LYS 83 2HG LYS 83 -0.463 -16.657 -18.735 607 2HG LYS 83 1HG LYS 83 -1.943 -16.636 -17.776 608 1HD LYS 83 2HD LYS 83 -3.087 -17.542 -19.486 609 2HD LYS 83 1HD LYS 83 -2.636 -16.187 -20.521 610 1HE LYS 83 2HE LYS 83 -1.828 -18.266 -21.537 611 2HE LYS 83 1HE LYS 83 -0.430 -17.343 -20.950 612 1HZ LYS 83 1HZ LYS 83 -1.719 -19.707 -19.753 613 2HZ LYS 83 2HZ LYS 83 -0.900 -18.599 -18.757 614 3HZ LYS 83 3HZ LYS 83 -0.070 -19.403 -20.003 615 H GLU 84 H GLU 84 -1.517 -11.665 -17.926 616 HA GLU 84 HA GLU 84 1.259 -11.141 -18.541 617 1HB GLU 84 2HB GLU 84 -1.314 -9.824 -18.524 618 2HB GLU 84 1HB GLU 84 -0.079 -8.752 -17.862 619 1HG GLU 84 2HG GLU 84 1.152 -9.967 -20.063 620 2HG GLU 84 1HG GLU 84 -0.484 -9.606 -20.612 621 HA PRO 85 HA PRO 85 2.392 -10.893 -14.193 622 1HB PRO 85 2HB PRO 85 5.085 -10.709 -14.665 623 2HB PRO 85 1HB PRO 85 4.205 -12.250 -14.680 624 1HG PRO 85 2HG PRO 85 5.081 -10.551 -16.965 625 2HG PRO 85 1HG PRO 85 5.087 -12.315 -16.803 626 1HD PRO 85 2HD PRO 85 3.196 -10.960 -18.210 627 2HD PRO 85 1HD PRO 85 2.879 -12.509 -17.397 628 H VAL 86 H VAL 86 3.574 -9.155 -12.944 629 HA VAL 86 HA VAL 86 3.434 -6.547 -14.413 630 HB VAL 86 HB VAL 86 3.217 -7.129 -11.446 631 1HG1 VAL 86 1HG1 VAL 86 3.672 -4.752 -12.745 632 2HG1 VAL 86 2HG1 VAL 86 2.884 -4.897 -11.175 633 3HG1 VAL 86 3HG1 VAL 86 1.911 -4.770 -12.641 634 1HG2 VAL 86 1HG2 VAL 86 0.919 -6.540 -13.320 635 2HG2 VAL 86 2HG2 VAL 86 0.857 -7.188 -11.681 636 3HG2 VAL 86 3HG2 VAL 86 1.446 -8.194 -13.004 637 HA PRO 87 HA PRO 87 7.800 -6.509 -13.421 638 1HB PRO 87 2HB PRO 87 8.443 -4.513 -15.170 639 2HB PRO 87 1HB PRO 87 8.187 -6.191 -15.683 640 1HG PRO 87 2HG PRO 87 6.471 -3.838 -16.050 641 2HG PRO 87 1HG PRO 87 6.549 -5.337 -16.981 642 1HD PRO 87 2HD PRO 87 4.629 -4.622 -15.021 643 2HD PRO 87 1HD PRO 87 4.792 -6.184 -15.852 644 H MET 88 H MET 88 9.185 -4.090 -13.427 645 HA MET 88 HA MET 88 7.690 -2.505 -11.355 646 1HB MET 88 2HB MET 88 10.357 -1.895 -11.097 647 2HB MET 88 1HB MET 88 9.489 -3.061 -10.101 648 1HG MET 88 2HG MET 88 10.183 -4.889 -11.559 649 2HG MET 88 1HG MET 88 10.914 -3.751 -12.692 650 1HE MET 88 1HE MET 88 13.885 -5.112 -12.043 651 2HE MET 88 2HE MET 88 14.079 -3.362 -12.108 652 3HE MET 88 3HE MET 88 12.796 -4.134 -13.036 653 H SER 89 H SER 89 8.725 -2.374 -14.504 654 HA SER 89 HA SER 89 9.475 0.509 -14.324 655 1HB SER 89 2HB SER 89 9.865 -1.667 -16.369 656 2HB SER 89 1HB SER 89 10.251 0.020 -16.684 657 HG SER 89 HG SER 89 11.865 -0.067 -15.257 658 H LEU 90 H LEU 90 7.558 1.583 -14.396 659 HA LEU 90 HA LEU 90 5.286 0.784 -15.970 660 1HB LEU 90 2HB LEU 90 4.578 2.248 -14.376 661 2HB LEU 90 1HB LEU 90 6.193 2.916 -14.179 662 HG LEU 90 HG LEU 90 5.843 4.319 -16.175 663 1HD1 LEU 90 1HD1 LEU 90 3.797 2.511 -16.731 664 2HD1 LEU 90 2HD1 LEU 90 4.087 4.028 -17.583 665 3HD1 LEU 90 3HD1 LEU 90 2.939 3.974 -16.247 666 1HD2 LEU 90 1HD2 LEU 90 3.426 5.084 -14.753 667 2HD2 LEU 90 2HD2 LEU 90 4.991 5.898 -14.809 668 3HD2 LEU 90 3HD2 LEU 90 4.705 4.617 -13.632 669 HA PRO 91 HA PRO 91 7.413 1.912 -19.772 670 1HB PRO 91 2HB PRO 91 5.409 0.999 -21.418 671 2HB PRO 91 1HB PRO 91 6.637 -0.056 -20.688 672 1HG PRO 91 2HG PRO 91 3.840 0.488 -19.792 673 2HG PRO 91 1HG PRO 91 4.711 -1.053 -19.883 674 1HD PRO 91 2HD PRO 91 4.410 0.238 -17.548 675 2HD PRO 91 1HD PRO 91 5.900 -0.658 -17.930 676 HA PRO 92 HA PRO 92 5.551 5.802 -20.547 677 1HB PRO 92 2HB PRO 92 6.454 6.235 -23.094 678 2HB PRO 92 1HB PRO 92 7.492 6.370 -21.660 679 1HG PRO 92 2HG PRO 92 7.218 4.119 -23.596 680 2HG PRO 92 1HG PRO 92 8.678 4.788 -22.849 681 1HD PRO 92 2HD PRO 92 7.520 2.506 -21.982 682 2HD PRO 92 1HD PRO 92 8.368 3.622 -20.887 683 H ALA 93 H ALA 93 4.649 2.991 -22.159 684 HA ALA 93 HA ALA 93 2.804 4.170 -24.099 685 1HB ALA 93 1HB ALA 93 3.969 1.639 -23.463 686 2HB ALA 93 2HB ALA 93 2.996 2.052 -24.874 687 3HB ALA 93 3HB ALA 93 2.217 1.444 -23.413 688 H LEU 94 H LEU 94 2.809 3.948 -20.770 689 HA LEU 94 HA LEU 94 -0.120 4.248 -20.701 690 1HB LEU 94 2HB LEU 94 -0.500 2.309 -19.542 691 2HB LEU 94 1HB LEU 94 0.998 1.817 -20.319 692 HG LEU 94 HG LEU 94 1.885 3.133 -18.040 693 1HD1 LEU 94 1HD1 LEU 94 0.285 1.412 -16.543 694 2HD1 LEU 94 2HD1 LEU 94 -0.850 2.180 -17.656 695 3HD1 LEU 94 3HD1 LEU 94 0.151 3.170 -16.589 696 1HD2 LEU 94 1HD2 LEU 94 1.780 0.469 -17.327 697 2HD2 LEU 94 2HD2 LEU 94 3.041 1.214 -18.308 698 3HD2 LEU 94 3HD2 LEU 94 1.683 0.402 -19.088 699 H VAL 95 H VAL 95 2.034 6.151 -20.305 700 HA VAL 95 HA VAL 95 1.537 6.823 -17.424 701 HB VAL 95 HB VAL 95 3.827 5.873 -17.986 702 1HG1 VAL 95 1HG1 VAL 95 4.197 8.553 -19.349 703 2HG1 VAL 95 2HG1 VAL 95 3.917 7.051 -20.228 704 3HG1 VAL 95 3HG1 VAL 95 5.367 7.239 -19.241 705 1HG2 VAL 95 1HG2 VAL 95 4.979 7.445 -16.583 706 2HG2 VAL 95 2HG2 VAL 95 3.298 7.444 -16.051 707 3HG2 VAL 95 3HG2 VAL 95 3.902 8.756 -17.062 708 HA PRO 96 HA PRO 96 0.197 10.653 -19.172 709 1HB PRO 96 2HB PRO 96 0.092 12.082 -16.839 710 2HB PRO 96 1HB PRO 96 -1.127 10.869 -17.282 711 1HG PRO 96 2HG PRO 96 1.177 10.642 -15.412 712 2HG PRO 96 1HG PRO 96 -0.459 9.980 -15.273 713 1HD PRO 96 2HD PRO 96 1.706 8.503 -16.030 714 2HD PRO 96 1HD PRO 96 0.040 8.130 -16.528 715 HA PRO 97 HA PRO 97 3.816 13.132 -19.576 716 1HB PRO 97 2HB PRO 97 2.787 15.670 -19.696 717 2HB PRO 97 1HB PRO 97 2.636 14.502 -21.025 718 1HG PRO 97 2HG PRO 97 0.643 15.278 -18.951 719 2HG PRO 97 1HG PRO 97 0.407 14.944 -20.674 720 1HD PRO 97 2HD PRO 97 -0.195 13.153 -18.719 721 2HD PRO 97 1HD PRO 97 0.304 12.674 -20.358 722 H SER 98 H SER 98 4.695 15.407 -18.576 723 HA SER 98 HA SER 98 5.280 16.637 -16.641 724 1HB SER 98 2HB SER 98 3.299 15.018 -15.061 725 2HB SER 98 1HB SER 98 3.761 16.703 -14.847 726 HG SER 98 HG SER 98 2.793 16.941 -17.054 727 H LYS 99 H LYS 99 4.692 13.158 -16.188 728 HA LYS 99 HA LYS 99 6.933 12.977 -14.278 729 1HB LYS 99 2HB LYS 99 4.554 11.639 -14.660 730 2HB LYS 99 1HB LYS 99 5.709 10.535 -15.408 731 1HG LYS 99 2HG LYS 99 6.885 11.453 -12.989 732 2HG LYS 99 1HG LYS 99 5.227 10.986 -12.613 733 1HD LYS 99 2HD LYS 99 5.814 8.883 -14.108 734 2HD LYS 99 1HD LYS 99 7.471 9.307 -13.674 735 1HE LYS 99 2HE LYS 99 7.075 8.988 -11.359 736 2HE LYS 99 1HE LYS 99 5.314 9.067 -11.566 737 1HZ LYS 99 1HZ LYS 99 5.575 7.089 -13.079 738 2HZ LYS 99 2HZ LYS 99 5.840 6.785 -11.429 739 3HZ LYS 99 3HZ LYS 99 7.159 6.937 -12.490 740 H ARG 100 H ARG 100 6.751 13.404 -17.516 741 HA ARG 100 HA ARG 100 8.651 11.299 -18.367 742 1HB ARG 100 2HB ARG 100 7.433 13.721 -19.737 743 2HB ARG 100 1HB ARG 100 8.368 12.467 -20.553 744 1HG ARG 100 2HG ARG 100 6.614 10.860 -19.380 745 2HG ARG 100 1HG ARG 100 5.619 12.316 -19.371 746 1HD ARG 100 2HD ARG 100 5.344 12.292 -21.647 747 2HD ARG 100 1HD ARG 100 7.001 11.724 -21.937 748 HE ARG 100 HE ARG 100 5.422 9.702 -20.595 749 1HH1 ARG 100 1HH2 ARG 100 5.689 11.323 -23.616 750 2HH1 ARG 100 2HH2 ARG 100 5.405 9.898 -24.560 751 1HH2 ARG 100 2HH1 ARG 100 5.221 7.792 -21.815 752 2HH2 ARG 100 1HH1 ARG 100 5.141 7.903 -23.541 753 H SER 107 1H SER 107 5.419 4.699 5.609 754 HA SER 107 HA SER 107 3.561 4.127 4.155 755 1HB SER 107 2HB SER 107 4.900 6.664 4.537 756 2HB SER 107 1HB SER 107 4.001 6.678 3.022 757 HG SER 107 HG SER 107 2.156 6.139 4.138 758 H THR 108 H THR 108 6.418 3.578 2.746 759 HA THR 108 HA THR 108 5.872 4.323 -0.028 760 HB THR 108 HB THR 108 7.847 2.299 1.057 761 HG1 THR 108 HG1 THR 108 9.143 3.966 1.590 762 1HG2 THR 108 1HG2 THR 108 9.212 3.313 -0.848 763 2HG2 THR 108 2HG2 THR 108 7.718 4.090 -1.374 764 3HG2 THR 108 3HG2 THR 108 7.828 2.331 -1.328 765 H ASN 109 H ASN 109 4.103 3.284 -0.940 766 HA ASN 109 HA ASN 109 2.829 1.503 -1.819 767 1HB ASN 109 2HB ASN 109 5.180 0.936 -2.537 768 2HB ASN 109 1HB ASN 109 5.305 -0.097 -1.109 769 1HD2 ASN 109 1HD2 ASN 109 3.305 0.403 -4.043 770 2HD2 ASN 109 2HD2 ASN 109 2.843 -1.219 -4.203 771 HA PRO 110 HA PRO 110 1.345 0.152 2.226 772 1HB PRO 110 2HB PRO 110 -1.237 -0.218 1.394 773 2HB PRO 110 1HB PRO 110 -0.575 1.375 1.812 774 1HG PRO 110 2HG PRO 110 -0.984 0.141 -0.864 775 2HG PRO 110 1HG PRO 110 -1.251 1.808 -0.340 776 1HD PRO 110 2HD PRO 110 0.937 1.037 -1.750 777 2HD PRO 110 1HD PRO 110 0.952 2.386 -0.595 778 H PHE 111 H PHE 111 1.990 -1.568 -0.549 779 HA PHE 111 HA PHE 111 0.617 -4.063 0.345 780 1HB PHE 111 2HB PHE 111 2.290 -3.616 -2.141 781 2HB PHE 111 1HB PHE 111 1.037 -4.833 -1.884 782 HD1 PHE 111 HD1 PHE 111 1.645 -1.184 -2.295 783 HD2 PHE 111 HD2 PHE 111 -1.285 -4.326 -2.254 784 HE1 PHE 111 HE1 PHE 111 -0.065 0.394 -3.133 785 HE2 PHE 111 HE2 PHE 111 -2.988 -2.740 -3.093 786 HZ PHE 111 HZ PHE 111 -2.375 -0.376 -3.525 787 H ARG 112 HN ARG 112 3.849 -2.838 -0.508 788 HA ARG 112 HA ARG 112 5.442 -5.073 -0.023 789 1HB ARG 112 2HB ARG 112 5.715 -2.112 0.393 790 2HB ARG 112 1HB ARG 112 7.026 -3.169 0.917 791 1HG ARG 112 2HG ARG 112 5.905 -3.639 -1.807 792 2HG ARG 112 1HG ARG 112 6.906 -2.203 -1.582 793 1HD ARG 112 2HD ARG 112 8.284 -4.260 -0.240 794 2HD ARG 112 1HD ARG 112 7.744 -4.973 -1.773 795 HE ARG 112 HE ARG 112 8.742 -2.300 -2.197 796 1HH1 ARG 112 1HH2 ARG 112 10.048 -5.175 -0.930 797 2HH1 ARG 112 2HH2 ARG 112 11.422 -5.198 -1.984 798 1HH2 ARG 112 1HH1 ARG 112 10.361 -2.481 -3.857 799 2HH2 ARG 112 2HH1 ARG 112 11.599 -3.673 -3.640 Start of MODEL 18 1 HA PRO 6 HA PRO 6 -2.200 5.547 -27.613 2 1HB PRO 6 2HB PRO 6 -4.692 4.742 -26.831 3 2HB PRO 6 1HB PRO 6 -4.313 5.212 -28.500 4 1HG PRO 6 2HG PRO 6 -4.602 2.499 -27.316 5 2HG PRO 6 1HG PRO 6 -5.086 3.094 -28.912 6 1HD PRO 6 2HD PRO 6 -2.840 1.594 -28.452 7 2HD PRO 6 1HD PRO 6 -3.022 2.718 -29.817 8 H TRP 7 H TRP 7 -3.734 5.671 -25.331 9 HA TRP 7 HA TRP 7 -1.983 5.131 -23.207 10 1HB TRP 7 2HB TRP 7 -3.949 6.617 -23.125 11 2HB TRP 7 1HB TRP 7 -5.023 5.225 -23.266 12 HD1 TRP 7 HD1 TRP 7 -1.945 4.816 -21.144 13 HE1 TRP 7 HE1 TRP 7 -2.616 4.693 -18.657 14 HE3 TRP 7 HE3 TRP 7 -6.866 6.127 -21.500 15 HZ2 TRP 7 HZ2 TRP 7 -4.942 5.102 -17.033 16 HZ3 TRP 7 HZ3 TRP 7 -8.285 6.254 -19.471 17 HH2 TRP 7 HH2 TRP 7 -7.330 5.743 -17.240 18 H ALA 8 H ALA 8 -1.332 3.223 -22.349 19 HA ALA 8 HA ALA 8 -1.877 0.656 -23.120 20 1HB ALA 8 1HB ALA 8 -1.306 1.893 -20.441 21 2HB ALA 8 2HB ALA 8 -0.199 1.033 -21.512 22 3HB ALA 8 3HB ALA 8 -1.429 0.142 -20.613 23 H VAL 9 H VAL 9 -3.953 2.714 -21.184 24 HA VAL 9 HA VAL 9 -5.864 0.444 -20.790 25 HB VAL 9 HB VAL 9 -5.547 3.167 -19.491 26 1HG1 VAL 9 1HG1 VAL 9 -7.760 2.907 -19.048 27 2HG1 VAL 9 2HG1 VAL 9 -7.213 1.703 -17.880 28 3HG1 VAL 9 3HG1 VAL 9 -7.740 1.199 -19.486 29 1HG2 VAL 9 1HG2 VAL 9 -3.839 1.437 -18.901 30 2HG2 VAL 9 2HG2 VAL 9 -5.146 0.361 -18.400 31 3HG2 VAL 9 3HG2 VAL 9 -4.864 1.870 -17.530 32 H LYS 10 H LYS 10 -7.880 0.547 -21.763 33 HA LYS 10 HA LYS 10 -8.330 2.695 -23.747 34 1HB LYS 10 2HB LYS 10 -8.939 -0.088 -23.372 35 2HB LYS 10 1HB LYS 10 -10.449 0.791 -23.615 36 1HG LYS 10 2HG LYS 10 -9.169 1.956 -25.572 37 2HG LYS 10 1HG LYS 10 -8.076 0.576 -25.452 38 1HD LYS 10 2HD LYS 10 -10.565 -0.620 -25.371 39 2HD LYS 10 1HD LYS 10 -10.809 0.703 -26.512 40 1HE LYS 10 2HE LYS 10 -10.019 -1.070 -27.879 41 2HE LYS 10 1HE LYS 10 -8.557 -0.112 -27.571 42 1HZ LYS 10 1HZ LYS 10 -9.352 -2.691 -26.454 43 2HZ LYS 10 2HZ LYS 10 -8.557 -1.614 -25.409 44 3HZ LYS 10 3HZ LYS 10 -7.806 -2.116 -26.849 45 HA PRO 11 HA PRO 11 -11.570 4.758 -21.606 46 1HB PRO 11 2HB PRO 11 -13.776 4.628 -23.226 47 2HB PRO 11 1HB PRO 11 -12.369 5.645 -23.590 48 1HG PRO 11 2HG PRO 11 -13.118 2.984 -24.692 49 2HG PRO 11 1HG PRO 11 -12.403 4.383 -25.508 50 1HD PRO 11 2HD PRO 11 -10.966 2.203 -24.748 51 2HD PRO 11 1HD PRO 11 -10.272 3.834 -24.871 52 H GLU 12 H GLU 12 -12.604 1.623 -22.898 53 HA GLU 12 HA GLU 12 -14.801 1.247 -21.034 54 1HB GLU 12 2HB GLU 12 -14.828 -0.974 -22.020 55 2HB GLU 12 1HB GLU 12 -14.475 0.187 -23.301 56 1HG GLU 12 2HG GLU 12 -12.002 -0.256 -22.829 57 2HG GLU 12 1HG GLU 12 -12.537 -1.632 -21.862 58 H ASP 13 H ASP 13 -11.346 0.702 -20.948 59 HA ASP 13 HA ASP 13 -11.449 -1.128 -18.654 60 1HB ASP 13 2HB ASP 13 -9.512 -0.022 -20.567 61 2HB ASP 13 1HB ASP 13 -8.864 -0.172 -18.934 62 H LYS 14 H LYS 14 -10.675 2.266 -19.307 63 HA LYS 14 HA LYS 14 -10.014 2.895 -16.549 64 1HB LYS 14 2HB LYS 14 -9.046 4.319 -18.135 65 2HB LYS 14 1HB LYS 14 -10.499 4.349 -19.131 66 1HG LYS 14 2HG LYS 14 -10.253 6.514 -18.047 67 2HG LYS 14 1HG LYS 14 -11.637 5.681 -17.340 68 1HD LYS 14 2HD LYS 14 -10.437 5.119 -15.372 69 2HD LYS 14 1HD LYS 14 -8.882 5.493 -16.118 70 1HE LYS 14 2HE LYS 14 -9.826 7.261 -14.493 71 2HE LYS 14 1HE LYS 14 -9.339 7.855 -16.094 72 1HZ LYS 14 1HZ LYS 14 -12.059 6.808 -15.711 73 2HZ LYS 14 2HZ LYS 14 -11.498 7.964 -16.822 74 3HZ LYS 14 3HZ LYS 14 -11.711 8.384 -15.190 75 H ALA 15 H ALA 15 -12.908 2.618 -18.428 76 HA ALA 15 HA ALA 15 -14.624 4.320 -16.825 77 1HB ALA 15 1HB ALA 15 -15.037 3.572 -19.177 78 2HB ALA 15 2HB ALA 15 -16.388 3.188 -18.109 79 3HB ALA 15 3HB ALA 15 -15.253 1.925 -18.588 80 H LYS 16 H LYS 16 -13.768 0.865 -16.790 81 HA LYS 16 HA LYS 16 -15.595 0.260 -14.590 82 1HB LYS 16 2HB LYS 16 -15.049 -1.893 -15.143 83 2HB LYS 16 1HB LYS 16 -14.379 -1.143 -16.587 84 1HG LYS 16 2HG LYS 16 -12.169 -1.122 -15.642 85 2HG LYS 16 1HG LYS 16 -12.782 -1.617 -14.063 86 1HD LYS 16 2HD LYS 16 -11.821 -3.557 -15.229 87 2HD LYS 16 1HD LYS 16 -13.563 -3.757 -15.060 88 1HE LYS 16 2HE LYS 16 -13.188 -2.350 -17.488 89 2HE LYS 16 1HE LYS 16 -12.003 -3.670 -17.489 90 1HZ LYS 16 1HZ LYS 16 -14.935 -3.831 -17.143 91 2HZ LYS 16 2HZ LYS 16 -13.917 -5.069 -16.575 92 3HZ LYS 16 3HZ LYS 16 -13.951 -4.684 -18.229 93 H TYR 17 H TYR 17 -12.260 1.234 -15.012 94 HA TYR 17 HA TYR 17 -11.352 0.649 -12.318 95 1HB TYR 17 2HB TYR 17 -10.421 2.680 -14.380 96 2HB TYR 17 1HB TYR 17 -9.482 2.103 -13.006 97 HD1 TYR 17 HD1 TYR 17 -8.320 1.867 -15.650 98 HD2 TYR 17 HD2 TYR 17 -11.059 -0.768 -13.649 99 HE1 TYR 17 HE1 TYR 17 -7.476 -0.031 -17.006 100 HE2 TYR 17 HE2 TYR 17 -10.222 -2.664 -15.011 101 HH TYR 17 HH TYR 17 -8.059 -3.226 -16.248 102 H ASP 18 H ASP 18 -12.780 3.434 -13.977 103 HA ASP 18 HA ASP 18 -12.516 5.294 -11.776 104 1HB ASP 18 2HB ASP 18 -12.834 5.894 -14.168 105 2HB ASP 18 1HB ASP 18 -14.447 5.183 -14.123 106 H ALA 19 H ALA 19 -14.663 2.659 -12.419 107 HA ALA 19 HA ALA 19 -16.836 3.656 -10.700 108 1HB ALA 19 1HB ALA 19 -17.776 2.192 -12.184 109 2HB ALA 19 2HB ALA 19 -17.193 0.945 -11.081 110 3HB ALA 19 3HB ALA 19 -16.236 1.391 -12.494 111 H ILE 20 H ILE 20 -14.097 1.419 -10.537 112 HA ILE 20 HA ILE 20 -14.703 0.507 -7.837 113 HB ILE 20 HB ILE 20 -12.361 0.326 -9.754 114 1HG1 ILE 20 2HG1 ILE 20 -13.905 -2.010 -8.705 115 2HG1 ILE 20 1HG1 ILE 20 -14.693 -0.972 -9.894 116 1HG2 ILE 20 1HG2 ILE 20 -11.205 -1.055 -8.217 117 2HG2 ILE 20 2HG2 ILE 20 -12.616 -1.208 -7.170 118 3HG2 ILE 20 3HG2 ILE 20 -11.747 0.323 -7.260 119 1HD1 ILE 20 1HD1 ILE 20 -13.584 -2.607 -11.200 120 2HD1 ILE 20 2HD1 ILE 20 -12.139 -2.552 -10.191 121 3HD1 ILE 20 3HD1 ILE 20 -12.515 -1.204 -11.264 122 H PHE 21 H PHE 21 -12.693 2.920 -9.436 123 HA PHE 21 HA PHE 21 -11.196 3.750 -7.129 124 1HB PHE 21 2HB PHE 21 -10.213 4.484 -9.079 125 2HB PHE 21 1HB PHE 21 -11.760 4.637 -9.908 126 HD1 PHE 21 HD1 PHE 21 -9.198 6.359 -7.977 127 HD2 PHE 21 HD2 PHE 21 -13.219 6.630 -9.465 128 HE1 PHE 21 HE1 PHE 21 -9.184 8.806 -7.570 129 HE2 PHE 21 HE2 PHE 21 -13.205 9.076 -9.058 130 HZ PHE 21 HZ PHE 21 -11.192 10.163 -8.109 131 H ASP 22 H ASP 22 -14.266 4.708 -8.565 132 HA ASP 22 HA ASP 22 -14.718 6.856 -6.603 133 1HB ASP 22 2HB ASP 22 -15.473 7.294 -8.800 134 2HB ASP 22 1HB ASP 22 -16.155 5.676 -8.978 135 H SER 23 H SER 23 -15.012 3.518 -6.570 136 HA SER 23 HA SER 23 -17.547 3.373 -5.063 137 1HB SER 23 2HB SER 23 -15.633 1.596 -6.402 138 2HB SER 23 1HB SER 23 -16.203 0.942 -4.868 139 HG SER 23 HG SER 23 -17.462 0.898 -7.138 140 H LEU 24 H LEU 24 -14.336 4.132 -4.408 141 HA LEU 24 HA LEU 24 -14.395 3.125 -1.599 142 1HB LEU 24 2HB LEU 24 -12.148 4.600 -2.963 143 2HB LEU 24 1HB LEU 24 -12.048 3.365 -1.709 144 HG LEU 24 HG LEU 24 -13.036 2.818 -4.515 145 1HD1 LEU 24 1HD1 LEU 24 -10.455 1.673 -3.861 146 2HD1 LEU 24 2HD1 LEU 24 -10.405 3.427 -3.698 147 3HD1 LEU 24 3HD1 LEU 24 -10.895 2.698 -5.228 148 1HD2 LEU 24 1HD2 LEU 24 -12.834 0.516 -3.894 149 2HD2 LEU 24 2HD2 LEU 24 -13.640 1.299 -2.535 150 3HD2 LEU 24 3HD2 LEU 24 -11.920 0.920 -2.440 151 H SER 25 H SER 25 -14.857 5.887 -3.544 152 HA SER 25 HA SER 25 -15.704 8.028 -2.856 153 1HB SER 25 2HB SER 25 -14.509 7.616 -0.131 154 2HB SER 25 1HB SER 25 -15.953 8.517 -0.586 155 HG SER 25 HG SER 25 -16.652 6.253 -1.302 156 HA PRO 26 HA PRO 26 -11.375 9.140 -3.658 157 1HB PRO 26 2HB PRO 26 -11.951 10.679 -5.835 158 2HB PRO 26 1HB PRO 26 -11.759 8.917 -5.927 159 1HG PRO 26 2HG PRO 26 -14.233 10.550 -5.906 160 2HG PRO 26 1HG PRO 26 -13.878 9.048 -6.768 161 1HD PRO 26 2HD PRO 26 -15.374 9.214 -4.460 162 2HD PRO 26 1HD PRO 26 -14.539 7.750 -5.018 163 H VAL 27 H VAL 27 -10.357 11.135 -3.264 164 HA VAL 27 HA VAL 27 -12.154 13.336 -2.311 165 HB VAL 27 HB VAL 27 -9.348 12.558 -1.445 166 1HG1 VAL 27 1HG1 VAL 27 -9.738 14.894 -1.030 167 2HG1 VAL 27 2HG1 VAL 27 -9.964 14.059 0.508 168 3HG1 VAL 27 3HG1 VAL 27 -11.365 14.576 -0.430 169 1HG2 VAL 27 1HG2 VAL 27 -10.559 11.785 0.638 170 2HG2 VAL 27 2HG2 VAL 27 -10.901 10.814 -0.795 171 3HG2 VAL 27 3HG2 VAL 27 -12.076 12.004 -0.235 172 H ASN 28 H ASN 28 -12.142 14.863 -3.934 173 HA ASN 28 HA ASN 28 -11.248 16.450 -5.448 174 1HB ASN 28 2HB ASN 28 -9.646 16.614 -3.423 175 2HB ASN 28 1HB ASN 28 -8.544 15.624 -4.378 176 1HD2 ASN 28 1HD2 ASN 28 -8.093 16.522 -6.677 177 2HD2 ASN 28 2HD2 ASN 28 -7.988 18.208 -6.837 178 H GLY 29 H GLY 29 -11.174 13.290 -5.682 179 1HA GLY 29 2HA GLY 29 -11.005 12.060 -7.738 180 2HA GLY 29 1HA GLY 29 -9.914 13.300 -8.361 181 H PHE 30 H PHE 30 -9.545 11.818 -5.164 182 HA PHE 30 HA PHE 30 -7.174 10.313 -6.206 183 1HB PHE 30 2HB PHE 30 -7.330 12.207 -3.847 184 2HB PHE 30 1HB PHE 30 -5.913 11.231 -4.264 185 HD1 PHE 30 HD1 PHE 30 -6.809 14.434 -4.365 186 HD2 PHE 30 HD2 PHE 30 -5.862 11.314 -7.148 187 HE1 PHE 30 HE1 PHE 30 -6.137 16.140 -6.035 188 HE2 PHE 30 HE2 PHE 30 -5.180 13.017 -8.827 189 HZ PHE 30 HZ PHE 30 -5.318 15.432 -8.269 190 H LEU 31 H LEU 31 -6.916 8.339 -5.314 191 HA LEU 31 HA LEU 31 -8.656 7.586 -2.985 192 1HB LEU 31 2HB LEU 31 -7.401 6.082 -5.293 193 2HB LEU 31 1HB LEU 31 -7.963 5.230 -3.855 194 HG LEU 31 HG LEU 31 -9.601 6.879 -5.785 195 1HD1 LEU 31 1HD1 LEU 31 -10.888 4.557 -5.430 196 2HD1 LEU 31 2HD1 LEU 31 -9.258 4.020 -5.013 197 3HD1 LEU 31 3HD1 LEU 31 -9.580 4.723 -6.602 198 1HD2 LEU 31 1HD2 LEU 31 -10.400 7.505 -3.594 199 2HD2 LEU 31 2HD2 LEU 31 -10.283 5.842 -3.015 200 3HD2 LEU 31 3HD2 LEU 31 -11.509 6.278 -4.208 201 H SER 32 H SER 32 -7.576 6.474 -1.226 202 HA SER 32 HA SER 32 -4.654 7.045 -1.137 203 1HB SER 32 2HB SER 32 -5.094 6.602 1.341 204 2HB SER 32 1HB SER 32 -5.938 7.989 0.662 205 HG SER 32 HG SER 32 -7.172 6.360 1.965 206 H GLY 33 H GLY 33 -3.159 5.372 -0.639 207 1HA GLY 33 2HA GLY 33 -3.528 2.823 -1.684 208 2HA GLY 33 1HA GLY 33 -2.424 3.142 -0.343 209 H ASP 34 H ASP 34 -4.745 4.130 1.293 210 HA ASP 34 HA ASP 34 -5.375 1.680 2.657 211 1HB ASP 34 2HB ASP 34 -6.465 4.504 2.730 212 2HB ASP 34 1HB ASP 34 -6.971 3.253 3.865 213 H LYS 35 H LYS 35 -6.914 3.362 -0.021 214 HA LYS 35 HA LYS 35 -9.381 1.717 0.312 215 1HB LYS 35 2HB LYS 35 -8.620 4.096 -1.412 216 2HB LYS 35 1HB LYS 35 -10.192 3.296 -1.482 217 1HG LYS 35 2HG LYS 35 -10.815 4.028 0.630 218 2HG LYS 35 1HG LYS 35 -9.148 4.186 1.180 219 1HD LYS 35 2HD LYS 35 -9.284 6.389 0.725 220 2HD LYS 35 1HD LYS 35 -9.390 5.969 -0.985 221 1HE LYS 35 2HE LYS 35 -11.367 7.206 -0.666 222 2HE LYS 35 1HE LYS 35 -11.938 5.545 -0.413 223 1HZ LYS 35 1HZ LYS 35 -11.275 5.882 1.988 224 2HZ LYS 35 2HZ LYS 35 -12.651 6.734 1.470 225 3HZ LYS 35 3HZ LYS 35 -11.164 7.538 1.638 226 H VAL 36 H VAL 36 -6.653 2.398 -1.798 227 HA VAL 36 HA VAL 36 -7.503 0.580 -3.921 228 HB VAL 36 HB VAL 36 -4.879 1.907 -3.204 229 1HG1 VAL 36 1HG1 VAL 36 -4.016 1.200 -5.239 230 2HG1 VAL 36 2HG1 VAL 36 -5.613 0.978 -5.955 231 3HG1 VAL 36 3HG1 VAL 36 -4.997 -0.194 -4.789 232 1HG2 VAL 36 1HG2 VAL 36 -7.197 3.131 -3.911 233 2HG2 VAL 36 2HG2 VAL 36 -6.520 2.802 -5.507 234 3HG2 VAL 36 3HG2 VAL 36 -5.604 3.754 -4.339 235 H LYS 37 H LYS 37 -5.331 0.458 -1.117 236 HA LYS 37 HA LYS 37 -3.874 -1.838 -1.541 237 1HB LYS 37 2HB LYS 37 -3.561 -0.599 0.449 238 2HB LYS 37 1HB LYS 37 -5.258 -0.737 0.900 239 1HG LYS 37 2HG LYS 37 -4.895 -2.698 1.958 240 2HG LYS 37 1HG LYS 37 -4.036 -3.357 0.564 241 1HD LYS 37 2HD LYS 37 -1.964 -2.369 1.258 242 2HD LYS 37 1HD LYS 37 -2.772 -1.389 2.483 243 1HE LYS 37 2HE LYS 37 -2.321 -3.056 3.956 244 2HE LYS 37 1HE LYS 37 -3.503 -4.046 3.075 245 1HZ LYS 37 1HZ LYS 37 -1.889 -4.998 1.777 246 2HZ LYS 37 2HZ LYS 37 -1.027 -4.812 3.228 247 3HZ LYS 37 3HZ LYS 37 -0.808 -3.705 1.957 248 HA PRO 38 HA PRO 38 -7.512 -4.628 -0.083 249 1HB PRO 38 2HB PRO 38 -10.000 -3.481 -0.058 250 2HB PRO 38 1HB PRO 38 -8.937 -3.515 1.365 251 1HG PRO 38 2HG PRO 38 -9.419 -1.312 -0.588 252 2HG PRO 38 1HG PRO 38 -9.266 -1.240 1.175 253 1HD PRO 38 2HD PRO 38 -7.250 -0.551 -0.466 254 2HD PRO 38 1HD PRO 38 -6.969 -1.312 1.116 255 H VAL 39 H VAL 39 -8.111 -2.094 -2.434 256 HA VAL 39 HA VAL 39 -9.869 -3.504 -4.204 257 HB VAL 39 HB VAL 39 -7.969 -1.177 -4.305 258 1HG1 VAL 39 1HG1 VAL 39 -7.934 -2.438 -6.545 259 2HG1 VAL 39 2HG1 VAL 39 -8.384 -0.739 -6.597 260 3HG1 VAL 39 3HG1 VAL 39 -9.630 -1.981 -6.695 261 1HG2 VAL 39 1HG2 VAL 39 -10.950 -1.599 -4.529 262 2HG2 VAL 39 2HG2 VAL 39 -10.189 -0.059 -4.929 263 3HG2 VAL 39 3HG2 VAL 39 -10.067 -0.705 -3.293 264 H LEU 40 H LEU 40 -6.385 -3.525 -3.753 265 HA LEU 40 HA LEU 40 -5.947 -5.096 -6.232 266 1HB LEU 40 2HB LEU 40 -4.042 -4.127 -4.083 267 2HB LEU 40 1HB LEU 40 -3.610 -4.671 -5.707 268 HG LEU 40 HG LEU 40 -5.519 -2.380 -5.244 269 1HD1 LEU 40 1HD1 LEU 40 -3.301 -1.110 -6.006 270 2HD1 LEU 40 2HD1 LEU 40 -2.545 -2.455 -5.148 271 3HD1 LEU 40 3HD1 LEU 40 -3.685 -1.401 -4.312 272 1HD2 LEU 40 1HD2 LEU 40 -4.620 -1.837 -7.571 273 2HD2 LEU 40 2HD2 LEU 40 -5.656 -3.262 -7.440 274 3HD2 LEU 40 3HD2 LEU 40 -3.905 -3.450 -7.552 275 H LEU 41 H LEU 41 -6.002 -5.467 -2.732 276 HA LEU 41 HA LEU 41 -4.776 -8.083 -2.643 277 1HB LEU 41 2HB LEU 41 -6.697 -6.565 -0.850 278 2HB LEU 41 1HB LEU 41 -5.925 -8.083 -0.392 279 HG LEU 41 HG LEU 41 -4.315 -5.711 -1.324 280 1HD1 LEU 41 1HD1 LEU 41 -5.539 -4.882 0.570 281 2HD1 LEU 41 2HD1 LEU 41 -3.937 -5.329 1.162 282 3HD1 LEU 41 3HD1 LEU 41 -5.315 -6.392 1.451 283 1HD2 LEU 41 1HD2 LEU 41 -3.698 -8.128 0.406 284 2HD2 LEU 41 2HD2 LEU 41 -2.538 -6.894 -0.088 285 3HD2 LEU 41 3HD2 LEU 41 -3.265 -7.955 -1.295 286 H ASN 42 H ASN 42 -7.731 -6.912 -3.842 287 HA ASN 42 HA ASN 42 -9.268 -9.334 -3.241 288 1HB ASN 42 2HB ASN 42 -10.252 -7.061 -3.248 289 2HB ASN 42 1HB ASN 42 -9.843 -6.898 -4.956 290 1HD2 ASN 42 1HD2 ASN 42 -12.245 -6.648 -5.308 291 2HD2 ASN 42 2HD2 ASN 42 -13.213 -8.040 -5.381 292 H SER 43 H SER 43 -6.965 -8.453 -5.536 293 HA SER 43 HA SER 43 -8.141 -9.860 -7.840 294 1HB SER 43 2HB SER 43 -5.279 -9.273 -7.903 295 2HB SER 43 1HB SER 43 -6.565 -8.661 -8.938 296 HG SER 43 HG SER 43 -5.424 -7.580 -6.671 297 H LYS 44 H LYS 44 -7.311 -11.188 -5.104 298 HA LYS 44 HA LYS 44 -6.353 -13.250 -4.446 299 1HB LYS 44 2HB LYS 44 -7.415 -13.435 -7.178 300 2HB LYS 44 1HB LYS 44 -6.176 -14.645 -6.840 301 1HG LYS 44 2HG LYS 44 -7.661 -14.721 -4.533 302 2HG LYS 44 1HG LYS 44 -8.901 -14.394 -5.745 303 1HD LYS 44 2HD LYS 44 -7.150 -16.361 -6.830 304 2HD LYS 44 1HD LYS 44 -7.569 -16.871 -5.194 305 1HE LYS 44 2HE LYS 44 -9.888 -15.815 -6.633 306 2HE LYS 44 1HE LYS 44 -9.171 -17.224 -7.439 307 1HZ LYS 44 1HZ LYS 44 -10.027 -16.998 -4.608 308 2HZ LYS 44 2HZ LYS 44 -9.042 -18.262 -5.176 309 3HZ LYS 44 3HZ LYS 44 -10.617 -18.067 -5.785 310 H LEU 45 H LEU 45 -4.666 -10.965 -5.724 311 HA LEU 45 HA LEU 45 -2.301 -12.540 -6.639 312 1HB LEU 45 2HB LEU 45 -3.319 -9.727 -6.844 313 2HB LEU 45 1HB LEU 45 -1.584 -10.014 -7.002 314 HG LEU 45 HG LEU 45 -3.665 -11.537 -8.582 315 1HD1 LEU 45 1HD1 LEU 45 -3.421 -8.935 -8.946 316 2HD1 LEU 45 2HD1 LEU 45 -3.471 -10.019 -10.336 317 3HD1 LEU 45 3HD1 LEU 45 -1.927 -9.395 -9.761 318 1HD2 LEU 45 1HD2 LEU 45 -1.167 -12.303 -8.090 319 2HD2 LEU 45 2HD2 LEU 45 -0.802 -11.139 -9.366 320 3HD2 LEU 45 3HD2 LEU 45 -1.874 -12.501 -9.697 321 HA PRO 46 HA PRO 46 -0.316 -11.871 -2.804 322 1HB PRO 46 2HB PRO 46 2.301 -11.926 -3.608 323 2HB PRO 46 1HB PRO 46 1.287 -13.377 -3.511 324 1HG PRO 46 2HG PRO 46 2.121 -11.813 -5.875 325 2HG PRO 46 1HG PRO 46 1.823 -13.547 -5.710 326 1HD PRO 46 2HD PRO 46 0.070 -11.736 -6.851 327 2HD PRO 46 1HD PRO 46 -0.377 -13.336 -6.223 328 H VAL 47 H VAL 47 1.088 -10.231 -1.697 329 HA VAL 47 HA VAL 47 0.545 -7.558 -2.564 330 HB VAL 47 HB VAL 47 2.203 -8.925 -0.452 331 1HG1 VAL 47 1HG1 VAL 47 3.565 -7.056 -0.711 332 2HG1 VAL 47 2HG1 VAL 47 2.381 -6.461 0.452 333 3HG1 VAL 47 3HG1 VAL 47 2.233 -6.035 -1.254 334 1HG2 VAL 47 1HG2 VAL 47 -0.466 -8.223 -0.663 335 2HG2 VAL 47 2HG2 VAL 47 0.215 -6.898 0.283 336 3HG2 VAL 47 3HG2 VAL 47 0.384 -8.562 0.845 337 H ASP 48 H ASP 48 2.827 -9.807 -3.634 338 HA ASP 48 HA ASP 48 5.062 -8.026 -4.073 339 1HB ASP 48 2HB ASP 48 5.439 -10.397 -3.902 340 2HB ASP 48 1HB ASP 48 4.204 -10.741 -5.114 341 H ILE 49 H ILE 49 2.167 -9.009 -5.805 342 HA ILE 49 HA ILE 49 2.961 -7.711 -8.315 343 HB ILE 49 HB ILE 49 0.167 -8.483 -7.457 344 1HG1 ILE 49 2HG1 ILE 49 1.456 -10.410 -6.848 345 2HG1 ILE 49 1HG1 ILE 49 0.729 -10.768 -8.413 346 1HG2 ILE 49 1HG2 ILE 49 1.313 -9.057 -10.141 347 2HG2 ILE 49 2HG2 ILE 49 1.054 -7.361 -9.729 348 3HG2 ILE 49 3HG2 ILE 49 -0.298 -8.492 -9.699 349 1HD1 ILE 49 1HD1 ILE 49 3.555 -9.824 -7.908 350 2HD1 ILE 49 2HD1 ILE 49 2.834 -9.998 -9.511 351 3HD1 ILE 49 3HD1 ILE 49 3.057 -11.416 -8.485 352 H LEU 50 H LEU 50 0.769 -7.134 -5.610 353 HA LEU 50 HA LEU 50 -0.264 -4.621 -6.556 354 1HB LEU 50 2HB LEU 50 0.023 -5.546 -3.696 355 2HB LEU 50 1HB LEU 50 -1.241 -4.533 -4.390 356 HG LEU 50 HG LEU 50 -0.807 -7.493 -4.796 357 1HD1 LEU 50 1HD1 LEU 50 -3.157 -7.596 -4.047 358 2HD1 LEU 50 2HD1 LEU 50 -3.178 -5.839 -3.888 359 3HD1 LEU 50 3HD1 LEU 50 -2.134 -6.807 -2.845 360 1HD2 LEU 50 1HD2 LEU 50 -2.134 -5.472 -6.539 361 2HD2 LEU 50 2HD2 LEU 50 -2.992 -6.993 -6.286 362 3HD2 LEU 50 3HD2 LEU 50 -1.368 -7.000 -6.975 363 H GLY 51 H GLY 51 2.567 -5.572 -4.616 364 1HA GLY 51 2HA GLY 51 3.179 -2.886 -3.766 365 2HA GLY 51 1HA GLY 51 4.321 -4.233 -3.778 366 H ARG 52 H ARG 52 3.597 -4.679 -6.662 367 HA ARG 52 HA ARG 52 5.457 -2.652 -7.792 368 1HB ARG 52 2HB ARG 52 5.453 -5.350 -7.853 369 2HB ARG 52 1HB ARG 52 4.515 -5.021 -9.308 370 1HG ARG 52 2HG ARG 52 6.428 -3.297 -9.813 371 2HG ARG 52 1HG ARG 52 7.353 -4.290 -8.683 372 1HD ARG 52 2HD ARG 52 5.838 -5.472 -11.021 373 2HD ARG 52 1HD ARG 52 7.546 -5.006 -11.120 374 HE ARG 52 HE ARG 52 6.974 -6.623 -8.767 375 1HH1 ARG 52 1HH2 ARG 52 5.948 -8.431 -10.812 376 2HH1 ARG 52 2HH2 ARG 52 7.367 -9.241 -11.388 377 1HH2 ARG 52 2HH1 ARG 52 9.559 -6.899 -10.071 378 2HH2 ARG 52 1HH1 ARG 52 9.410 -8.373 -10.968 379 H VAL 53 H VAL 53 2.199 -4.006 -8.131 380 HA VAL 53 HA VAL 53 1.603 -2.644 -10.620 381 HB VAL 53 HB VAL 53 0.057 -3.993 -8.409 382 1HG1 VAL 53 1HG1 VAL 53 -1.806 -3.599 -10.391 383 2HG1 VAL 53 2HG1 VAL 53 -0.950 -2.057 -10.398 384 3HG1 VAL 53 3HG1 VAL 53 -1.706 -2.640 -8.914 385 1HG2 VAL 53 1HG2 VAL 53 -0.448 -5.590 -10.173 386 2HG2 VAL 53 2HG2 VAL 53 1.291 -5.294 -10.166 387 3HG2 VAL 53 3HG2 VAL 53 0.270 -4.532 -11.391 388 H TRP 54 H TRP 54 1.131 -1.912 -7.172 389 HA TRP 54 HA TRP 54 -0.339 0.519 -7.527 390 1HB TRP 54 2HB TRP 54 -0.332 -0.385 -5.350 391 2HB TRP 54 1HB TRP 54 1.410 -0.680 -5.382 392 HD1 TRP 54 HD1 TRP 54 3.019 1.511 -5.259 393 HE1 TRP 54 HE1 TRP 54 2.645 3.794 -4.170 394 HE3 TRP 54 HE3 TRP 54 -2.046 1.333 -4.573 395 HZ2 TRP 54 HZ2 TRP 54 0.478 5.346 -3.078 396 HZ3 TRP 54 HZ3 TRP 54 -3.239 3.218 -3.479 397 HH2 TRP 54 HH2 TRP 54 -1.982 5.218 -2.742 398 H GLU 55 H GLU 55 3.186 -0.030 -6.989 399 HA GLU 55 HA GLU 55 4.066 2.608 -7.027 400 1HB GLU 55 2HB GLU 55 5.181 0.044 -8.128 401 2HB GLU 55 1HB GLU 55 6.097 1.547 -8.217 402 1HG GLU 55 2HG GLU 55 5.400 1.678 -5.644 403 2HG GLU 55 1HG GLU 55 5.352 -0.073 -5.834 404 H LEU 56 H LEU 56 3.774 0.561 -9.954 405 HA LEU 56 HA LEU 56 4.178 2.744 -11.787 406 1HB LEU 56 2HB LEU 56 2.710 0.104 -12.154 407 2HB LEU 56 1HB LEU 56 3.396 1.095 -13.442 408 HG LEU 56 HG LEU 56 5.320 0.440 -11.310 409 1HD1 LEU 56 1HD1 LEU 56 5.452 -1.862 -11.565 410 2HD1 LEU 56 2HD1 LEU 56 4.670 -1.835 -13.145 411 3HD1 LEU 56 3HD1 LEU 56 3.709 -1.630 -11.681 412 1HD2 LEU 56 1HD2 LEU 56 5.909 1.489 -13.486 413 2HD2 LEU 56 2HD2 LEU 56 5.349 0.046 -14.327 414 3HD2 LEU 56 3HD2 LEU 56 6.760 -0.041 -13.269 415 H SER 57 H SER 57 1.568 1.900 -9.774 416 HA SER 57 HA SER 57 -0.541 3.194 -11.403 417 1HB SER 57 2HB SER 57 -1.933 2.101 -9.942 418 2HB SER 57 1HB SER 57 -0.490 1.182 -9.551 419 HG SER 57 HG SER 57 -0.093 2.632 -7.858 420 H ASP 58 H ASP 58 1.344 3.696 -8.443 421 HA ASP 58 HA ASP 58 0.166 6.301 -7.839 422 1HB ASP 58 2HB ASP 58 1.277 4.405 -6.354 423 2HB ASP 58 1HB ASP 58 2.757 5.290 -6.725 424 H ILE 59 H ILE 59 0.618 7.664 -9.641 425 HA ILE 59 HA ILE 59 3.404 7.936 -10.581 426 HB ILE 59 HB ILE 59 0.679 8.963 -11.336 427 1HG1 ILE 59 2HG1 ILE 59 2.589 7.809 -13.287 428 2HG1 ILE 59 1HG1 ILE 59 2.092 6.724 -11.987 429 1HG2 ILE 59 1HG2 ILE 59 3.276 9.832 -12.640 430 2HG2 ILE 59 2HG2 ILE 59 2.360 10.843 -11.523 431 3HG2 ILE 59 3HG2 ILE 59 1.646 10.360 -13.063 432 1HD1 ILE 59 1HD1 ILE 59 0.408 8.019 -14.112 433 2HD1 ILE 59 2HD1 ILE 59 -0.322 7.581 -12.566 434 3HD1 ILE 59 3HD1 ILE 59 0.429 6.339 -13.570 435 H ASP 60 H ASP 60 1.375 9.321 -8.210 436 HA ASP 60 HA ASP 60 2.907 11.881 -8.149 437 1HB ASP 60 2HB ASP 60 0.558 10.961 -6.465 438 2HB ASP 60 1HB ASP 60 1.117 12.616 -6.700 439 H HIS 61 H HIS 61 2.799 8.770 -6.747 440 HA HIS 61 HA HIS 61 3.952 7.815 -4.918 441 1HB HIS 61 2HB HIS 61 5.482 10.269 -5.715 442 2HB HIS 61 1HB HIS 61 6.004 9.341 -4.309 443 HD1 HIS 61 HD1 HIS 61 7.943 7.978 -5.120 444 HD2 HIS 61 HD2 HIS 61 4.756 7.890 -7.806 445 HE1 HIS 61 HE1 HIS 61 8.582 6.332 -6.936 446 H ASP 62 H ASP 62 1.613 9.180 -4.138 447 HA ASP 62 HA ASP 62 2.494 10.462 -1.573 448 1HB ASP 62 2HB ASP 62 0.530 11.921 -1.819 449 2HB ASP 62 1HB ASP 62 1.545 12.039 -3.256 450 H GLY 63 H GLY 63 1.791 7.620 -2.249 451 1HA GLY 63 2HA GLY 63 0.530 5.885 -1.300 452 2HA GLY 63 1HA GLY 63 0.195 7.002 0.025 453 H MET 64 H MET 64 -0.655 7.468 -3.395 454 HA MET 64 HA MET 64 -3.513 6.966 -2.770 455 1HB MET 64 2HB MET 64 -2.227 9.600 -3.432 456 2HB MET 64 1HB MET 64 -3.923 9.311 -3.811 457 1HG MET 64 2HG MET 64 -4.433 8.872 -1.502 458 2HG MET 64 1HG MET 64 -2.721 8.927 -1.066 459 1HE MET 64 1HE MET 64 -5.930 10.607 -1.214 460 2HE MET 64 2HE MET 64 -5.503 12.114 -0.408 461 3HE MET 64 3HE MET 64 -5.074 10.573 0.333 462 H LEU 65 H LEU 65 -4.876 6.992 -4.694 463 HA LEU 65 HA LEU 65 -3.376 6.720 -7.271 464 1HB LEU 65 2HB LEU 65 -5.114 4.859 -5.759 465 2HB LEU 65 1HB LEU 65 -5.499 4.978 -7.473 466 HG LEU 65 HG LEU 65 -2.869 4.173 -6.212 467 1HD1 LEU 65 1HD1 LEU 65 -3.877 2.605 -8.437 468 2HD1 LEU 65 2HD1 LEU 65 -5.093 2.744 -7.168 469 3HD1 LEU 65 3HD1 LEU 65 -3.499 2.088 -6.794 470 1HD2 LEU 65 1HD2 LEU 65 -2.473 3.965 -8.910 471 2HD2 LEU 65 2HD2 LEU 65 -1.922 5.327 -7.933 472 3HD2 LEU 65 3HD2 LEU 65 -3.439 5.437 -8.823 473 H ASP 66 H ASP 66 -4.105 8.541 -8.384 474 HA ASP 66 HA ASP 66 -6.708 9.723 -7.971 475 1HB ASP 66 2HB ASP 66 -5.032 10.040 -10.458 476 2HB ASP 66 1HB ASP 66 -5.995 11.254 -9.621 477 H ARG 67 H ARG 67 -8.452 9.767 -9.579 478 HA ARG 67 HA ARG 67 -9.504 7.377 -10.443 479 1HB ARG 67 2HB ARG 67 -10.740 8.744 -12.080 480 2HB ARG 67 1HB ARG 67 -10.580 9.601 -10.548 481 1HG ARG 67 2HG ARG 67 -8.467 10.662 -11.558 482 2HG ARG 67 1HG ARG 67 -9.047 10.054 -13.110 483 1HD ARG 67 2HD ARG 67 -11.324 11.213 -12.264 484 2HD ARG 67 1HD ARG 67 -10.157 12.236 -11.404 485 HE ARG 67 HE ARG 67 -9.165 11.925 -14.028 486 1HH1 ARG 67 1HH2 ARG 67 -12.341 12.604 -13.068 487 2HH1 ARG 67 2HH2 ARG 67 -12.472 14.078 -13.968 488 1HH2 ARG 67 2HH1 ARG 67 -9.139 14.102 -14.923 489 2HH2 ARG 67 1HH1 ARG 67 -10.660 14.925 -15.018 490 H ASP 68 H ASP 68 -7.223 9.402 -12.264 491 HA ASP 68 HA ASP 68 -7.131 7.637 -14.568 492 1HB ASP 68 2HB ASP 68 -5.653 9.269 -15.376 493 2HB ASP 68 1HB ASP 68 -6.558 10.191 -14.182 494 H GLU 69 H GLU 69 -5.061 8.206 -11.753 495 HA GLU 69 HA GLU 69 -3.020 6.289 -12.421 496 1HB GLU 69 2HB GLU 69 -4.034 7.298 -9.745 497 2HB GLU 69 1HB GLU 69 -2.472 6.527 -10.017 498 1HG GLU 69 2HG GLU 69 -2.272 8.431 -11.871 499 2HG GLU 69 1HG GLU 69 -3.402 9.251 -10.795 500 H PHE 70 H PHE 70 -5.836 6.080 -10.228 501 HA PHE 70 HA PHE 70 -5.625 3.412 -9.423 502 1HB PHE 70 2HB PHE 70 -7.311 5.208 -8.769 503 2HB PHE 70 1HB PHE 70 -8.174 4.827 -10.260 504 HD1 PHE 70 HD1 PHE 70 -7.434 3.777 -6.858 505 HD2 PHE 70 HD2 PHE 70 -9.087 2.511 -10.617 506 HE1 PHE 70 HE1 PHE 70 -8.531 1.861 -5.732 507 HE2 PHE 70 HE2 PHE 70 -10.184 0.595 -9.488 508 HZ PHE 70 HZ PHE 70 -9.903 0.271 -7.045 509 H ALA 71 H ALA 71 -6.565 4.751 -12.539 510 HA ALA 71 HA ALA 71 -7.773 2.386 -13.651 511 1HB ALA 71 1HB ALA 71 -7.357 5.007 -14.363 512 2HB ALA 71 2HB ALA 71 -7.967 3.765 -15.457 513 3HB ALA 71 3HB ALA 71 -6.249 4.163 -15.443 514 H VAL 72 H VAL 72 -4.448 3.643 -13.760 515 HA VAL 72 HA VAL 72 -3.351 1.568 -15.384 516 HB VAL 72 HB VAL 72 -2.122 3.306 -13.227 517 1HG1 VAL 72 1HG1 VAL 72 -0.094 2.954 -14.871 518 2HG1 VAL 72 2HG1 VAL 72 -0.976 1.498 -15.332 519 3HG1 VAL 72 3HG1 VAL 72 -0.464 1.725 -13.660 520 1HG2 VAL 72 1HG2 VAL 72 -1.794 4.942 -14.878 521 2HG2 VAL 72 2HG2 VAL 72 -3.404 4.330 -15.263 522 3HG2 VAL 72 3HG2 VAL 72 -2.009 3.790 -16.197 523 H ALA 73 H ALA 73 -4.293 1.645 -12.058 524 HA ALA 73 HA ALA 73 -2.631 -0.683 -11.305 525 1HB ALA 73 1HB ALA 73 -4.056 1.498 -10.068 526 2HB ALA 73 2HB ALA 73 -2.853 0.423 -9.357 527 3HB ALA 73 3HB ALA 73 -4.562 -0.031 -9.341 528 H MET 74 H MET 74 -5.639 -0.247 -12.856 529 HA MET 74 HA MET 74 -6.845 -2.651 -11.600 530 1HB MET 74 2HB MET 74 -7.865 -1.046 -13.957 531 2HB MET 74 1HB MET 74 -8.803 -2.043 -12.851 532 1HG MET 74 2HG MET 74 -7.722 0.711 -12.475 533 2HG MET 74 1HG MET 74 -9.270 0.042 -11.982 534 1HE MET 74 1HE MET 74 -7.668 -2.680 -9.626 535 2HE MET 74 2HE MET 74 -8.816 -2.363 -10.925 536 3HE MET 74 3HE MET 74 -9.175 -1.814 -9.290 537 H PHE 75 H PHE 75 -5.647 -1.657 -14.820 538 HA PHE 75 HA PHE 75 -6.064 -4.335 -15.904 539 1HB PHE 75 2HB PHE 75 -5.264 -3.378 -17.898 540 2HB PHE 75 1HB PHE 75 -5.931 -1.979 -17.064 541 HD1 PHE 75 HD1 PHE 75 -2.742 -3.887 -17.514 542 HD2 PHE 75 HD2 PHE 75 -4.591 -0.114 -16.639 543 HE1 PHE 75 HE1 PHE 75 -0.521 -2.788 -17.566 544 HE2 PHE 75 HE2 PHE 75 -2.376 0.982 -16.698 545 HZ PHE 75 HZ PHE 75 -0.336 -0.351 -17.156 546 H LEU 76 H LEU 76 -3.569 -2.611 -14.196 547 HA LEU 76 HA LEU 76 -1.343 -4.346 -14.788 548 1HB LEU 76 2HB LEU 76 -2.099 -2.187 -12.909 549 2HB LEU 76 1HB LEU 76 -0.870 -3.296 -12.301 550 HG LEU 76 HG LEU 76 -0.752 -1.803 -14.940 551 1HD1 LEU 76 1HD1 LEU 76 1.250 -0.732 -13.773 552 2HD1 LEU 76 2HD1 LEU 76 0.643 -1.443 -12.277 553 3HD1 LEU 76 3HD1 LEU 76 -0.333 -0.264 -13.152 554 1HD2 LEU 76 1HD2 LEU 76 0.869 -3.251 -15.539 555 2HD2 LEU 76 2HD2 LEU 76 0.518 -4.203 -14.095 556 3HD2 LEU 76 3HD2 LEU 76 1.739 -2.932 -14.039 557 H VAL 77 H VAL 77 -4.051 -4.446 -12.575 558 HA VAL 77 HA VAL 77 -2.961 -6.756 -11.081 559 HB VAL 77 HB VAL 77 -5.404 -4.962 -10.961 560 1HG1 VAL 77 1HG1 VAL 77 -6.318 -7.087 -10.375 561 2HG1 VAL 77 2HG1 VAL 77 -5.935 -6.309 -8.840 562 3HG1 VAL 77 3HG1 VAL 77 -4.866 -7.554 -9.487 563 1HG2 VAL 77 1HG2 VAL 77 -3.830 -3.847 -9.733 564 2HG2 VAL 77 2HG2 VAL 77 -2.835 -5.286 -9.521 565 3HG2 VAL 77 3HG2 VAL 77 -4.238 -5.026 -8.487 566 H TYR 78 H TYR 78 -5.990 -6.017 -12.826 567 HA TYR 78 HA TYR 78 -7.040 -8.573 -13.075 568 1HB TYR 78 2HB TYR 78 -7.112 -6.030 -14.601 569 2HB TYR 78 1HB TYR 78 -7.732 -7.454 -15.439 570 HD1 TYR 78 HD1 TYR 78 -8.896 -4.791 -13.739 571 HD2 TYR 78 HD2 TYR 78 -8.967 -9.076 -13.437 572 HE1 TYR 78 HE1 TYR 78 -10.990 -4.661 -12.416 573 HE2 TYR 78 HE2 TYR 78 -11.064 -8.946 -12.113 574 HH TYR 78 HH TYR 78 -13.064 -6.669 -12.058 575 H CYS 79 H CYS 79 -4.228 -7.285 -14.704 576 HA CYS 79 HA CYS 79 -4.218 -9.339 -16.801 577 1HB CYS 79 2HB CYS 79 -2.425 -7.098 -15.871 578 2HB CYS 79 1HB CYS 79 -1.852 -8.255 -17.072 579 HG CYS 79 HG CYS 79 -3.335 -7.224 -18.782 580 H ALA 80 H ALA 80 -3.053 -9.005 -13.546 581 HA ALA 80 HA ALA 80 -0.989 -11.073 -13.796 582 1HB ALA 80 1HB ALA 80 -2.029 -9.162 -11.817 583 2HB ALA 80 2HB ALA 80 -0.382 -9.746 -12.046 584 3HB ALA 80 3HB ALA 80 -1.533 -10.700 -11.112 585 H LEU 81 H LEU 81 -4.381 -10.995 -13.442 586 HA LEU 81 HA LEU 81 -4.549 -13.553 -11.988 587 1HB LEU 81 2HB LEU 81 -6.611 -11.723 -13.223 588 2HB LEU 81 1HB LEU 81 -6.979 -13.122 -12.209 589 HG LEU 81 HG LEU 81 -5.125 -11.771 -10.694 590 1HD1 LEU 81 1HD1 LEU 81 -5.704 -9.968 -12.615 591 2HD1 LEU 81 2HD1 LEU 81 -5.308 -9.509 -10.957 592 3HD1 LEU 81 3HD1 LEU 81 -6.994 -9.600 -11.468 593 1HD2 LEU 81 1HD2 LEU 81 -8.150 -11.637 -10.739 594 2HD2 LEU 81 2HD2 LEU 81 -7.171 -11.037 -9.400 595 3HD2 LEU 81 3HD2 LEU 81 -7.141 -12.751 -9.818 596 H GLU 82 H GLU 82 -5.395 -12.234 -15.168 597 HA GLU 82 HA GLU 82 -6.304 -14.734 -16.261 598 1HB GLU 82 2HB GLU 82 -7.024 -12.668 -17.228 599 2HB GLU 82 1HB GLU 82 -5.366 -12.090 -17.387 600 1HG GLU 82 2HG GLU 82 -5.333 -12.917 -19.476 601 2HG GLU 82 1HG GLU 82 -5.469 -14.539 -18.794 602 H LYS 83 H LYS 83 -3.343 -12.870 -16.955 603 HA LYS 83 HA LYS 83 -1.535 -15.066 -16.717 604 1HB LYS 83 2HB LYS 83 -3.245 -15.516 -18.753 605 2HB LYS 83 1HB LYS 83 -1.995 -14.623 -19.615 606 1HG LYS 83 2HG LYS 83 -0.358 -16.243 -18.345 607 2HG LYS 83 1HG LYS 83 -1.792 -17.258 -18.190 608 1HD LYS 83 2HD LYS 83 -0.571 -17.865 -20.224 609 2HD LYS 83 1HD LYS 83 -2.118 -17.134 -20.653 610 1HE LYS 83 2HE LYS 83 -1.067 -15.027 -21.187 611 2HE LYS 83 1HE LYS 83 0.483 -15.572 -20.515 612 1HZ LYS 83 1HZ LYS 83 0.526 -15.904 -22.878 613 2HZ LYS 83 2HZ LYS 83 -0.956 -16.735 -22.842 614 3HZ LYS 83 3HZ LYS 83 0.425 -17.423 -22.131 615 H GLU 84 H GLU 84 -1.263 -12.320 -16.121 616 HA GLU 84 HA GLU 84 1.012 -11.625 -17.913 617 1HB GLU 84 2HB GLU 84 -1.620 -10.356 -17.805 618 2HB GLU 84 1HB GLU 84 -0.311 -9.206 -17.522 619 1HG GLU 84 2HG GLU 84 -0.586 -11.088 -19.883 620 2HG GLU 84 1HG GLU 84 -0.726 -9.329 -19.915 621 HA PRO 85 HA PRO 85 2.369 -10.840 -13.699 622 1HB PRO 85 2HB PRO 85 5.016 -10.567 -14.362 623 2HB PRO 85 1HB PRO 85 4.226 -12.144 -14.156 624 1HG PRO 85 2HG PRO 85 4.852 -10.655 -16.662 625 2HG PRO 85 1HG PRO 85 4.991 -12.386 -16.315 626 1HD PRO 85 2HD PRO 85 2.929 -11.335 -17.725 627 2HD PRO 85 1HD PRO 85 2.760 -12.780 -16.703 628 H VAL 86 H VAL 86 3.913 -8.963 -12.854 629 HA VAL 86 HA VAL 86 3.355 -6.515 -14.499 630 HB VAL 86 HB VAL 86 3.333 -6.854 -11.483 631 1HG1 VAL 86 1HG1 VAL 86 2.268 -4.591 -13.199 632 2HG1 VAL 86 2HG1 VAL 86 3.863 -4.565 -12.448 633 3HG1 VAL 86 3HG1 VAL 86 2.416 -4.621 -11.443 634 1HG2 VAL 86 1HG2 VAL 86 0.773 -6.320 -12.131 635 2HG2 VAL 86 2HG2 VAL 86 1.392 -7.968 -12.028 636 3HG2 VAL 86 3HG2 VAL 86 1.253 -7.174 -13.597 637 HA PRO 87 HA PRO 87 7.745 -6.018 -13.839 638 1HB PRO 87 2HB PRO 87 8.073 -4.071 -15.724 639 2HB PRO 87 1HB PRO 87 7.892 -5.787 -16.139 640 1HG PRO 87 2HG PRO 87 5.989 -3.576 -16.455 641 2HG PRO 87 1HG PRO 87 6.072 -5.125 -17.301 642 1HD PRO 87 2HD PRO 87 4.326 -4.394 -15.168 643 2HD PRO 87 1HD PRO 87 4.465 -5.973 -15.970 644 H MET 88 H MET 88 9.136 -4.128 -13.146 645 HA MET 88 HA MET 88 7.569 -2.209 -11.507 646 1HB MET 88 2HB MET 88 10.362 -3.244 -11.661 647 2HB MET 88 1HB MET 88 10.090 -1.668 -10.918 648 1HG MET 88 2HG MET 88 8.301 -2.770 -9.500 649 2HG MET 88 1HG MET 88 8.890 -4.318 -10.101 650 1HE MET 88 1HE MET 88 9.997 -5.600 -8.335 651 2HE MET 88 2HE MET 88 8.922 -4.577 -7.384 652 3HE MET 88 3HE MET 88 10.576 -4.848 -6.841 653 H SER 89 H SER 89 8.228 -2.104 -14.604 654 HA SER 89 HA SER 89 9.495 0.595 -14.537 655 1HB SER 89 2HB SER 89 9.147 -1.296 -16.858 656 2HB SER 89 1HB SER 89 10.201 0.111 -16.782 657 HG SER 89 HG SER 89 11.078 -1.118 -14.835 658 H LEU 90 H LEU 90 7.880 2.027 -14.394 659 HA LEU 90 HA LEU 90 5.255 1.790 -15.478 660 1HB LEU 90 2HB LEU 90 6.852 3.634 -14.031 661 2HB LEU 90 1HB LEU 90 6.193 4.517 -15.408 662 HG LEU 90 HG LEU 90 4.516 2.776 -13.595 663 1HD1 LEU 90 1HD1 LEU 90 5.300 4.554 -12.201 664 2HD1 LEU 90 2HD1 LEU 90 3.695 5.046 -12.742 665 3HD1 LEU 90 3HD1 LEU 90 5.131 5.738 -13.498 666 1HD2 LEU 90 1HD2 LEU 90 2.668 3.659 -14.749 667 2HD2 LEU 90 2HD2 LEU 90 3.854 3.431 -16.035 668 3HD2 LEU 90 3HD2 LEU 90 3.587 5.037 -15.356 669 HA PRO 91 HA PRO 91 6.664 2.302 -19.738 670 1HB PRO 91 2HB PRO 91 4.275 1.552 -20.855 671 2HB PRO 91 1HB PRO 91 5.482 0.380 -20.289 672 1HG PRO 91 2HG PRO 91 2.998 1.334 -18.945 673 2HG PRO 91 1HG PRO 91 3.683 -0.299 -19.024 674 1HD PRO 91 2HD PRO 91 3.939 1.296 -16.845 675 2HD PRO 91 1HD PRO 91 5.160 0.091 -17.309 676 HA PRO 92 HA PRO 92 4.963 6.330 -20.135 677 1HB PRO 92 2HB PRO 92 5.414 6.779 -22.806 678 2HB PRO 92 1HB PRO 92 6.701 6.833 -21.583 679 1HG PRO 92 2HG PRO 92 5.970 4.642 -23.468 680 2HG PRO 92 1HG PRO 92 7.571 5.213 -22.967 681 1HD PRO 92 2HD PRO 92 6.427 2.973 -21.950 682 2HD PRO 92 1HD PRO 92 7.543 3.996 -21.015 683 H ALA 93 H ALA 93 3.751 3.601 -21.768 684 HA ALA 93 HA ALA 93 1.475 5.017 -23.014 685 1HB ALA 93 1HB ALA 93 2.755 2.945 -23.887 686 2HB ALA 93 2HB ALA 93 0.994 2.864 -23.929 687 3HB ALA 93 3HB ALA 93 1.884 2.039 -22.649 688 H LEU 94 H LEU 94 2.144 4.708 -19.963 689 HA LEU 94 HA LEU 94 -0.499 3.570 -19.117 690 1HB LEU 94 2HB LEU 94 2.209 3.140 -18.356 691 2HB LEU 94 1HB LEU 94 1.439 3.978 -17.010 692 HG LEU 94 HG LEU 94 -0.304 2.303 -16.888 693 1HD1 LEU 94 1HD1 LEU 94 0.616 0.314 -18.689 694 2HD1 LEU 94 2HD1 LEU 94 0.530 1.823 -19.599 695 3HD1 LEU 94 3HD1 LEU 94 -0.901 1.213 -18.762 696 1HD2 LEU 94 1HD2 LEU 94 2.299 1.896 -16.213 697 2HD2 LEU 94 2HD2 LEU 94 2.028 0.512 -17.272 698 3HD2 LEU 94 3HD2 LEU 94 1.013 0.745 -15.848 699 H VAL 95 H VAL 95 1.220 6.459 -19.531 700 HA VAL 95 HA VAL 95 0.009 7.821 -17.185 701 HB VAL 95 HB VAL 95 1.933 8.750 -19.336 702 1HG1 VAL 95 1HG1 VAL 95 2.262 10.694 -18.065 703 2HG1 VAL 95 2HG1 VAL 95 1.579 9.972 -16.608 704 3HG1 VAL 95 3HG1 VAL 95 0.520 10.447 -17.936 705 1HG2 VAL 95 1HG2 VAL 95 2.688 8.150 -16.496 706 2HG2 VAL 95 2HG2 VAL 95 3.682 8.089 -17.951 707 3HG2 VAL 95 3HG2 VAL 95 2.512 6.809 -17.629 708 HA PRO 96 HA PRO 96 -3.175 9.311 -19.930 709 1HB PRO 96 2HB PRO 96 -4.599 10.627 -17.999 710 2HB PRO 96 1HB PRO 96 -4.673 8.869 -18.218 711 1HG PRO 96 2HG PRO 96 -3.243 10.461 -16.173 712 2HG PRO 96 1HG PRO 96 -3.975 8.857 -16.051 713 1HD PRO 96 2HD PRO 96 -1.261 9.363 -16.329 714 2HD PRO 96 1HD PRO 96 -2.062 7.814 -16.670 715 HA PRO 97 HA PRO 97 -2.039 13.503 -20.634 716 1HB PRO 97 2HB PRO 97 -4.411 14.811 -21.036 717 2HB PRO 97 1HB PRO 97 -3.724 13.674 -22.212 718 1HG PRO 97 2HG PRO 97 -5.894 13.256 -20.221 719 2HG PRO 97 1HG PRO 97 -5.749 12.652 -21.879 720 1HD PRO 97 2HD PRO 97 -5.235 11.135 -19.670 721 2HD PRO 97 1HD PRO 97 -4.475 10.858 -21.253 722 H SER 98 H SER 98 -3.675 12.660 -17.838 723 HA SER 98 HA SER 98 -4.051 15.346 -16.734 724 1HB SER 98 2HB SER 98 -5.392 13.257 -16.196 725 2HB SER 98 1HB SER 98 -3.972 12.648 -15.350 726 HG SER 98 HG SER 98 -4.077 14.647 -14.114 727 H LYS 99 H LYS 99 -1.621 12.790 -16.590 728 HA LYS 99 HA LYS 99 -0.021 14.277 -14.599 729 1HB LYS 99 2HB LYS 99 0.634 11.771 -16.178 730 2HB LYS 99 1HB LYS 99 1.351 12.286 -14.652 731 1HG LYS 99 2HG LYS 99 -1.618 11.821 -14.844 732 2HG LYS 99 1HG LYS 99 -0.518 10.463 -14.608 733 1HD LYS 99 2HD LYS 99 -0.518 10.945 -12.410 734 2HD LYS 99 1HD LYS 99 0.353 12.428 -12.800 735 1HE LYS 99 2HE LYS 99 -1.608 13.731 -12.804 736 2HE LYS 99 1HE LYS 99 -2.655 12.316 -13.041 737 1HZ LYS 99 1HZ LYS 99 -0.928 12.255 -10.705 738 2HZ LYS 99 2HZ LYS 99 -2.538 11.741 -10.880 739 3HZ LYS 99 3HZ LYS 99 -2.189 13.387 -10.649 740 H ARG 100 H ARG 100 -0.619 14.869 -17.706 741 HA ARG 100 HA ARG 100 2.067 16.026 -18.180 742 1HB ARG 100 2HB ARG 100 2.371 14.818 -20.272 743 2HB ARG 100 1HB ARG 100 2.077 13.640 -18.992 744 1HG ARG 100 2HG ARG 100 -0.325 13.582 -19.627 745 2HG ARG 100 1HG ARG 100 0.017 14.698 -20.949 746 1HD ARG 100 2HD ARG 100 1.632 13.037 -21.893 747 2HD ARG 100 1HD ARG 100 1.159 11.901 -20.614 748 HE ARG 100 HE ARG 100 -1.156 11.987 -21.518 749 1HH1 ARG 100 1HH2 ARG 100 0.431 10.828 -23.731 750 2HH1 ARG 100 2HH2 ARG 100 -0.007 11.824 -25.079 751 1HH2 ARG 100 2HH1 ARG 100 -1.311 14.366 -23.116 752 2HH2 ARG 100 1HH1 ARG 100 -0.992 13.828 -24.730 753 H SER 107 1H SER 107 5.728 8.498 -1.613 754 HA SER 107 HA SER 107 5.238 6.494 -2.471 755 1HB SER 107 2HB SER 107 7.178 5.541 -3.424 756 2HB SER 107 1HB SER 107 7.677 7.191 -3.061 757 HG SER 107 HG SER 107 9.182 5.618 -2.318 758 H THR 108 H THR 108 4.292 6.172 -0.031 759 HA THR 108 HA THR 108 5.643 3.989 1.421 760 HB THR 108 HB THR 108 2.914 4.692 2.204 761 HG1 THR 108 HG1 THR 108 3.048 6.769 2.053 762 1HG2 THR 108 1HG2 THR 108 5.523 4.177 3.345 763 2HG2 THR 108 2HG2 THR 108 3.936 4.077 4.109 764 3HG2 THR 108 3HG2 THR 108 4.800 5.614 4.070 765 H ASN 109 H ASN 109 5.342 2.657 -0.739 766 HA ASN 109 HA ASN 109 2.932 1.694 -1.745 767 1HB ASN 109 2HB ASN 109 5.392 1.163 -2.312 768 2HB ASN 109 1HB ASN 109 5.289 -0.086 -1.059 769 1HD2 ASN 109 1HD2 ASN 109 4.417 0.744 -4.325 770 2HD2 ASN 109 2HD2 ASN 109 3.576 -0.688 -4.676 771 HA PRO 110 HA PRO 110 1.342 0.017 2.091 772 1HB PRO 110 2HB PRO 110 -1.204 -0.419 1.167 773 2HB PRO 110 1HB PRO 110 -0.616 1.171 1.692 774 1HG PRO 110 2HG PRO 110 -1.014 0.113 -1.028 775 2HG PRO 110 1HG PRO 110 -1.193 1.756 -0.418 776 1HD PRO 110 2HD PRO 110 0.976 0.847 -1.875 777 2HD PRO 110 1HD PRO 110 0.978 2.279 -0.826 778 H PHE 111 H PHE 111 2.023 -1.526 -0.829 779 HA PHE 111 HA PHE 111 1.145 -4.190 0.240 780 1HB PHE 111 2HB PHE 111 2.078 -3.834 -2.573 781 2HB PHE 111 1HB PHE 111 0.834 -4.910 -1.948 782 HD1 PHE 111 HD1 PHE 111 1.567 -1.293 -2.542 783 HD2 PHE 111 HD2 PHE 111 -1.425 -4.344 -2.223 784 HE1 PHE 111 HE1 PHE 111 -0.142 0.316 -3.249 785 HE2 PHE 111 HE2 PHE 111 -3.140 -2.720 -2.942 786 HZ PHE 111 HZ PHE 111 -2.496 -0.378 -3.454 787 H ARG 112 HN ARG 112 3.586 -2.933 -1.989 788 HA ARG 112 HA ARG 112 5.946 -3.006 -1.919 789 1HB ARG 112 2HB ARG 112 6.925 -3.362 0.117 790 2HB ARG 112 1HB ARG 112 5.262 -3.277 0.692 791 1HG ARG 112 2HG ARG 112 5.322 -5.878 0.062 792 2HG ARG 112 1HG ARG 112 7.044 -5.645 0.384 793 1HD ARG 112 2HD ARG 112 6.264 -4.433 2.552 794 2HD ARG 112 1HD ARG 112 4.720 -5.258 2.269 795 HE ARG 112 HE ARG 112 7.326 -6.618 2.758 796 1HH1 ARG 112 1HH2 ARG 112 4.135 -6.905 1.570 797 2HH1 ARG 112 2HH2 ARG 112 3.850 -8.457 2.285 798 1HH2 ARG 112 1HH1 ARG 112 6.890 -8.539 3.954 799 2HH2 ARG 112 2HH1 ARG 112 5.413 -9.383 3.637 Start of MODEL 19 1 HA PRO 6 HA PRO 6 -1.819 6.653 -27.340 2 1HB PRO 6 2HB PRO 6 -4.290 5.699 -26.671 3 2HB PRO 6 1HB PRO 6 -3.899 6.309 -28.291 4 1HG PRO 6 2HG PRO 6 -4.164 3.517 -27.335 5 2HG PRO 6 1HG PRO 6 -4.557 4.215 -28.912 6 1HD PRO 6 2HD PRO 6 -2.291 2.730 -28.351 7 2HD PRO 6 1HD PRO 6 -2.469 3.845 -29.722 8 H TRP 7 H TRP 7 -3.375 6.572 -25.090 9 HA TRP 7 HA TRP 7 -1.649 5.917 -22.974 10 1HB TRP 7 2HB TRP 7 -3.668 7.373 -22.911 11 2HB TRP 7 1HB TRP 7 -4.687 5.941 -23.046 12 HD1 TRP 7 HD1 TRP 7 -1.681 5.323 -20.988 13 HE1 TRP 7 HE1 TRP 7 -2.293 5.297 -18.481 14 HE3 TRP 7 HE3 TRP 7 -6.411 7.221 -21.221 15 HZ2 TRP 7 HZ2 TRP 7 -4.500 5.991 -16.800 16 HZ3 TRP 7 HZ3 TRP 7 -7.747 7.529 -19.156 17 HH2 TRP 7 HH2 TRP 7 -6.799 6.919 -16.948 18 H ALA 8 H ALA 8 -0.973 3.928 -22.265 19 HA ALA 8 HA ALA 8 -1.600 1.427 -23.246 20 1HB ALA 8 1HB ALA 8 0.139 2.050 -21.553 21 2HB ALA 8 2HB ALA 8 -0.757 0.598 -21.103 22 3HB ALA 8 3HB ALA 8 -1.132 2.141 -20.334 23 H VAL 9 H VAL 9 -3.554 3.399 -21.109 24 HA VAL 9 HA VAL 9 -5.451 1.148 -20.637 25 HB VAL 9 HB VAL 9 -4.981 3.901 -19.489 26 1HG1 VAL 9 1HG1 VAL 9 -7.019 2.888 -17.973 27 2HG1 VAL 9 2HG1 VAL 9 -7.492 2.346 -19.583 28 3HG1 VAL 9 3HG1 VAL 9 -7.242 4.063 -19.269 29 1HG2 VAL 9 1HG2 VAL 9 -4.773 2.608 -17.395 30 2HG2 VAL 9 2HG2 VAL 9 -3.662 1.996 -18.620 31 3HG2 VAL 9 3HG2 VAL 9 -5.155 1.125 -18.270 32 H LYS 10 H LYS 10 -7.686 1.388 -21.258 33 HA LYS 10 HA LYS 10 -8.102 3.349 -23.484 34 1HB LYS 10 2HB LYS 10 -8.741 0.526 -22.943 35 2HB LYS 10 1HB LYS 10 -10.085 1.439 -23.629 36 1HG LYS 10 2HG LYS 10 -8.731 2.139 -25.511 37 2HG LYS 10 1HG LYS 10 -7.286 1.431 -24.789 38 1HD LYS 10 2HD LYS 10 -7.789 -0.613 -25.594 39 2HD LYS 10 1HD LYS 10 -9.436 -0.518 -24.969 40 1HE LYS 10 2HE LYS 10 -8.876 1.194 -27.331 41 2HE LYS 10 1HE LYS 10 -8.880 -0.555 -27.628 42 1HZ LYS 10 1HZ LYS 10 -11.090 1.094 -27.220 43 2HZ LYS 10 2HZ LYS 10 -10.967 0.103 -25.845 44 3HZ LYS 10 3HZ LYS 10 -11.076 -0.592 -27.391 45 HA PRO 11 HA PRO 11 -11.494 5.276 -21.476 46 1HB PRO 11 2HB PRO 11 -13.546 5.112 -23.290 47 2HB PRO 11 1HB PRO 11 -12.154 6.196 -23.498 48 1HG PRO 11 2HG PRO 11 -12.657 3.511 -24.701 49 2HG PRO 11 1HG PRO 11 -12.003 4.977 -25.452 50 1HD PRO 11 2HD PRO 11 -10.420 2.942 -24.671 51 2HD PRO 11 1HD PRO 11 -9.890 4.638 -24.593 52 H GLU 12 H GLU 12 -12.318 2.147 -22.953 53 HA GLU 12 HA GLU 12 -14.636 1.671 -21.274 54 1HB GLU 12 2HB GLU 12 -14.762 0.392 -23.171 55 2HB GLU 12 1HB GLU 12 -13.012 0.346 -23.365 56 1HG GLU 12 2HG GLU 12 -12.781 -1.554 -22.080 57 2HG GLU 12 1HG GLU 12 -14.199 -1.193 -21.096 58 H ASP 13 H ASP 13 -11.179 1.043 -21.040 59 HA ASP 13 HA ASP 13 -11.437 -0.718 -18.700 60 1HB ASP 13 2HB ASP 13 -9.189 0.608 -20.237 61 2HB ASP 13 1HB ASP 13 -8.881 -0.305 -18.759 62 H LYS 14 H LYS 14 -10.592 2.633 -19.435 63 HA LYS 14 HA LYS 14 -9.949 3.406 -16.724 64 1HB LYS 14 2HB LYS 14 -9.090 4.712 -18.508 65 2HB LYS 14 1HB LYS 14 -10.652 4.780 -19.316 66 1HG LYS 14 2HG LYS 14 -10.470 6.919 -18.376 67 2HG LYS 14 1HG LYS 14 -11.432 6.062 -17.175 68 1HD LYS 14 2HD LYS 14 -9.778 6.137 -15.616 69 2HD LYS 14 1HD LYS 14 -8.517 5.805 -16.805 70 1HE LYS 14 2HE LYS 14 -8.299 8.103 -15.854 71 2HE LYS 14 1HE LYS 14 -8.646 8.156 -17.594 72 1HZ LYS 14 1HZ LYS 14 -10.977 8.412 -17.124 73 2HZ LYS 14 2HZ LYS 14 -10.121 9.623 -16.295 74 3HZ LYS 14 3HZ LYS 14 -10.708 8.266 -15.457 75 H ALA 15 H ALA 15 -12.858 2.806 -18.451 76 HA ALA 15 HA ALA 15 -14.608 4.554 -16.901 77 1HB ALA 15 1HB ALA 15 -16.111 2.484 -18.023 78 2HB ALA 15 2HB ALA 15 -14.721 2.620 -19.100 79 3HB ALA 15 3HB ALA 15 -15.745 4.025 -18.800 80 H LYS 16 H LYS 16 -13.688 1.115 -16.849 81 HA LYS 16 HA LYS 16 -15.375 0.537 -14.526 82 1HB LYS 16 2HB LYS 16 -14.870 -1.621 -15.096 83 2HB LYS 16 1HB LYS 16 -14.295 -0.886 -16.588 84 1HG LYS 16 2HG LYS 16 -12.026 -0.877 -15.805 85 2HG LYS 16 1HG LYS 16 -12.528 -1.320 -14.173 86 1HD LYS 16 2HD LYS 16 -12.307 -3.490 -14.732 87 2HD LYS 16 1HD LYS 16 -13.615 -3.286 -15.897 88 1HE LYS 16 2HE LYS 16 -11.284 -2.154 -17.078 89 2HE LYS 16 1HE LYS 16 -10.831 -3.744 -16.433 90 1HZ LYS 16 1HZ LYS 16 -13.347 -3.306 -17.933 91 2HZ LYS 16 2HZ LYS 16 -12.583 -4.780 -17.570 92 3HZ LYS 16 3HZ LYS 16 -11.901 -3.726 -18.714 93 H TYR 17 H TYR 17 -12.150 1.637 -15.187 94 HA TYR 17 HA TYR 17 -10.984 1.027 -12.590 95 1HB TYR 17 2HB TYR 17 -10.326 3.016 -14.794 96 2HB TYR 17 1HB TYR 17 -9.274 2.675 -13.424 97 HD1 TYR 17 HD1 TYR 17 -10.955 -0.308 -14.162 98 HD2 TYR 17 HD2 TYR 17 -7.813 2.219 -15.640 99 HE1 TYR 17 HE1 TYR 17 -9.981 -2.228 -15.390 100 HE2 TYR 17 HE2 TYR 17 -6.831 0.299 -16.862 101 HH TYR 17 HH TYR 17 -8.283 -2.951 -16.632 102 H ASP 18 H ASP 18 -12.631 3.761 -14.103 103 HA ASP 18 HA ASP 18 -12.251 5.592 -11.869 104 1HB ASP 18 2HB ASP 18 -13.627 5.460 -14.489 105 2HB ASP 18 1HB ASP 18 -14.387 6.527 -13.309 106 H ALA 19 H ALA 19 -14.475 3.018 -12.574 107 HA ALA 19 HA ALA 19 -16.555 3.979 -10.724 108 1HB ALA 19 1HB ALA 19 -16.157 1.944 -12.770 109 2HB ALA 19 2HB ALA 19 -17.671 2.594 -12.139 110 3HB ALA 19 3HB ALA 19 -16.885 1.242 -11.325 111 H ILE 20 H ILE 20 -13.866 1.669 -10.779 112 HA ILE 20 HA ILE 20 -14.432 0.596 -8.132 113 HB ILE 20 HB ILE 20 -12.072 0.548 -10.041 114 1HG1 ILE 20 2HG1 ILE 20 -13.821 -1.778 -9.266 115 2HG1 ILE 20 1HG1 ILE 20 -14.360 -0.643 -10.503 116 1HG2 ILE 20 1HG2 ILE 20 -11.385 0.279 -7.655 117 2HG2 ILE 20 2HG2 ILE 20 -11.106 -1.169 -8.624 118 3HG2 ILE 20 3HG2 ILE 20 -12.488 -1.092 -7.530 119 1HD1 ILE 20 1HD1 ILE 20 -13.133 -2.589 -11.467 120 2HD1 ILE 20 2HD1 ILE 20 -11.705 -2.106 -10.550 121 3HD1 ILE 20 3HD1 ILE 20 -12.339 -1.052 -11.814 122 H PHE 21 H PHE 21 -12.488 3.128 -9.603 123 HA PHE 21 HA PHE 21 -10.888 3.821 -7.330 124 1HB PHE 21 2HB PHE 21 -10.083 4.777 -9.267 125 2HB PHE 21 1HB PHE 21 -11.691 4.928 -9.968 126 HD1 PHE 21 HD1 PHE 21 -9.035 6.616 -8.183 127 HD2 PHE 21 HD2 PHE 21 -13.219 6.788 -9.143 128 HE1 PHE 21 HE1 PHE 21 -9.077 9.021 -7.578 129 HE2 PHE 21 HE2 PHE 21 -13.259 9.192 -8.539 130 HZ PHE 21 HZ PHE 21 -11.189 10.309 -7.756 131 H ASP 22 H ASP 22 -14.078 4.800 -8.474 132 HA ASP 22 HA ASP 22 -14.465 6.669 -6.219 133 1HB ASP 22 2HB ASP 22 -15.288 7.396 -8.307 134 2HB ASP 22 1HB ASP 22 -15.986 5.817 -8.679 135 H SER 23 H SER 23 -14.706 3.371 -6.655 136 HA SER 23 HA SER 23 -17.213 2.921 -5.192 137 1HB SER 23 2HB SER 23 -15.022 1.343 -6.470 138 2HB SER 23 1HB SER 23 -15.968 0.538 -5.221 139 HG SER 23 HG SER 23 -16.731 1.508 -7.730 140 H LEU 24 H LEU 24 -14.028 3.754 -4.424 141 HA LEU 24 HA LEU 24 -14.075 2.455 -1.755 142 1HB LEU 24 2HB LEU 24 -11.951 4.240 -2.945 143 2HB LEU 24 1HB LEU 24 -11.751 2.957 -1.752 144 HG LEU 24 HG LEU 24 -12.585 2.515 -4.631 145 1HD1 LEU 24 1HD1 LEU 24 -10.020 1.417 -3.821 146 2HD1 LEU 24 2HD1 LEU 24 -10.050 3.165 -3.606 147 3HD1 LEU 24 3HD1 LEU 24 -10.396 2.465 -5.189 148 1HD2 LEU 24 1HD2 LEU 24 -11.982 0.145 -4.043 149 2HD2 LEU 24 2HD2 LEU 24 -13.382 0.757 -3.160 150 3HD2 LEU 24 3HD2 LEU 24 -11.809 0.659 -2.367 151 H SER 25 H SER 25 -13.486 5.648 -3.202 152 HA SER 25 HA SER 25 -15.141 7.394 -1.930 153 1HB SER 25 2HB SER 25 -14.888 6.814 0.270 154 2HB SER 25 1HB SER 25 -13.280 6.146 0.012 155 HG SER 25 HG SER 25 -14.033 8.877 0.194 156 HA PRO 26 HA PRO 26 -11.609 9.222 -4.110 157 1HB PRO 26 2HB PRO 26 -13.077 10.598 -5.910 158 2HB PRO 26 1HB PRO 26 -12.624 8.898 -6.152 159 1HG PRO 26 2HG PRO 26 -15.206 10.055 -5.262 160 2HG PRO 26 1HG PRO 26 -14.902 8.646 -6.289 161 1HD PRO 26 2HD PRO 26 -15.586 8.513 -3.616 162 2HD PRO 26 1HD PRO 26 -14.713 7.235 -4.488 163 H VAL 27 H VAL 27 -10.883 10.937 -3.158 164 HA VAL 27 HA VAL 27 -12.698 13.112 -2.257 165 HB VAL 27 HB VAL 27 -11.827 11.855 -0.444 166 1HG1 VAL 27 1HG1 VAL 27 -10.164 10.510 -1.341 167 2HG1 VAL 27 2HG1 VAL 27 -9.254 11.593 -0.280 168 3HG1 VAL 27 3HG1 VAL 27 -9.284 11.883 -2.020 169 1HG2 VAL 27 1HG2 VAL 27 -11.467 13.877 0.514 170 2HG2 VAL 27 2HG2 VAL 27 -10.758 14.525 -0.965 171 3HG2 VAL 27 3HG2 VAL 27 -9.761 13.608 0.163 172 H ASN 28 H ASN 28 -12.343 14.958 -3.424 173 HA ASN 28 HA ASN 28 -11.227 16.567 -4.740 174 1HB ASN 28 2HB ASN 28 -9.855 16.900 -2.804 175 2HB ASN 28 1HB ASN 28 -9.024 15.364 -3.043 176 1HD2 ASN 28 1HD2 ASN 28 -6.937 15.723 -3.788 177 2HD2 ASN 28 2HD2 ASN 28 -6.489 16.930 -4.895 178 H GLY 29 H GLY 29 -11.479 13.586 -5.467 179 1HA GLY 29 2HA GLY 29 -11.088 12.466 -7.516 180 2HA GLY 29 1HA GLY 29 -9.977 13.758 -7.976 181 H PHE 30 H PHE 30 -9.975 11.667 -5.092 182 HA PHE 30 HA PHE 30 -7.477 10.358 -6.042 183 1HB PHE 30 2HB PHE 30 -7.747 12.201 -3.663 184 2HB PHE 30 1HB PHE 30 -6.374 11.104 -3.877 185 HD1 PHE 30 HD1 PHE 30 -8.013 14.154 -5.022 186 HD2 PHE 30 HD2 PHE 30 -4.867 11.356 -5.837 187 HE1 PHE 30 HE1 PHE 30 -6.989 15.772 -6.588 188 HE2 PHE 30 HE2 PHE 30 -3.827 12.980 -7.402 189 HZ PHE 30 HZ PHE 30 -4.891 15.190 -7.780 190 H LEU 31 H LEU 31 -6.812 8.591 -4.718 191 HA LEU 31 HA LEU 31 -8.835 7.570 -2.753 192 1HB LEU 31 2HB LEU 31 -7.417 6.258 -5.076 193 2HB LEU 31 1HB LEU 31 -7.904 5.281 -3.691 194 HG LEU 31 HG LEU 31 -9.665 6.845 -5.578 195 1HD1 LEU 31 1HD1 LEU 31 -10.754 4.391 -5.191 196 2HD1 LEU 31 2HD1 LEU 31 -9.052 4.023 -4.897 197 3HD1 LEU 31 3HD1 LEU 31 -9.553 4.728 -6.439 198 1HD2 LEU 31 1HD2 LEU 31 -10.120 6.012 -2.739 199 2HD2 LEU 31 2HD2 LEU 31 -11.446 5.784 -3.880 200 3HD2 LEU 31 3HD2 LEU 31 -10.776 7.394 -3.615 201 H SER 32 H SER 32 -7.739 6.142 -1.101 202 HA SER 32 HA SER 32 -4.910 7.026 -0.747 203 1HB SER 32 2HB SER 32 -5.381 7.118 1.505 204 2HB SER 32 1HB SER 32 -7.018 7.327 0.893 205 HG SER 32 HG SER 32 -6.811 5.659 2.489 206 H GLY 33 H GLY 33 -3.293 5.501 -0.306 207 1HA GLY 33 2HA GLY 33 -3.325 3.011 -1.534 208 2HA GLY 33 1HA GLY 33 -2.319 3.351 -0.127 209 H ASP 34 H ASP 34 -4.803 3.924 1.461 210 HA ASP 34 HA ASP 34 -5.212 1.239 2.499 211 1HB ASP 34 2HB ASP 34 -6.527 3.915 3.071 212 2HB ASP 34 1HB ASP 34 -6.695 2.473 4.074 213 H LYS 35 H LYS 35 -6.849 3.227 0.132 214 HA LYS 35 HA LYS 35 -9.339 1.617 0.313 215 1HB LYS 35 2HB LYS 35 -8.395 4.062 -1.210 216 2HB LYS 35 1HB LYS 35 -9.953 3.303 -1.533 217 1HG LYS 35 2HG LYS 35 -10.366 3.504 1.009 218 2HG LYS 35 1HG LYS 35 -9.010 4.631 1.006 219 1HD LYS 35 2HD LYS 35 -10.793 5.273 -1.163 220 2HD LYS 35 1HD LYS 35 -11.706 5.186 0.342 221 1HE LYS 35 2HE LYS 35 -9.090 6.698 0.191 222 2HE LYS 35 1HE LYS 35 -10.635 7.467 -0.219 223 1HZ LYS 35 1HZ LYS 35 -10.085 7.670 2.164 224 2HZ LYS 35 2HZ LYS 35 -10.108 5.975 2.297 225 3HZ LYS 35 3HZ LYS 35 -11.529 6.818 1.899 226 H VAL 36 H VAL 36 -6.549 2.268 -1.726 227 HA VAL 36 HA VAL 36 -7.407 0.558 -3.941 228 HB VAL 36 HB VAL 36 -4.761 1.764 -3.084 229 1HG1 VAL 36 1HG1 VAL 36 -3.787 0.817 -4.883 230 2HG1 VAL 36 2HG1 VAL 36 -5.150 1.223 -5.927 231 3HG1 VAL 36 3HG1 VAL 36 -5.191 -0.247 -4.948 232 1HG2 VAL 36 1HG2 VAL 36 -6.957 3.137 -3.765 233 2HG2 VAL 36 2HG2 VAL 36 -6.370 2.766 -5.389 234 3HG2 VAL 36 3HG2 VAL 36 -5.346 3.656 -4.261 235 H LYS 37 H LYS 37 -5.103 0.310 -1.236 236 HA LYS 37 HA LYS 37 -3.795 -2.049 -1.682 237 1HB LYS 37 2HB LYS 37 -3.410 -0.826 0.316 238 2HB LYS 37 1HB LYS 37 -5.102 -0.919 0.793 239 1HG LYS 37 2HG LYS 37 -4.775 -2.890 1.837 240 2HG LYS 37 1HG LYS 37 -3.984 -3.572 0.415 241 1HD LYS 37 2HD LYS 37 -1.969 -3.356 1.390 242 2HD LYS 37 1HD LYS 37 -2.240 -1.629 1.622 243 1HE LYS 37 2HE LYS 37 -3.701 -2.335 3.654 244 2HE LYS 37 1HE LYS 37 -2.872 -3.899 3.513 245 1HZ LYS 37 1HZ LYS 37 -0.750 -2.640 3.440 246 2HZ LYS 37 2HZ LYS 37 -1.565 -2.503 4.924 247 3HZ LYS 37 3HZ LYS 37 -1.610 -1.225 3.806 248 HA PRO 38 HA PRO 38 -7.510 -4.687 -0.162 249 1HB PRO 38 2HB PRO 38 -9.971 -3.467 -0.161 250 2HB PRO 38 1HB PRO 38 -8.917 -3.534 1.267 251 1HG PRO 38 2HG PRO 38 -9.327 -1.320 -0.685 252 2HG PRO 38 1HG PRO 38 -9.165 -1.253 1.078 253 1HD PRO 38 2HD PRO 38 -7.130 -0.629 -0.575 254 2HD PRO 38 1HD PRO 38 -6.868 -1.388 1.011 255 H VAL 39 H VAL 39 -8.159 -2.133 -2.532 256 HA VAL 39 HA VAL 39 -9.819 -3.620 -4.327 257 HB VAL 39 HB VAL 39 -8.018 -1.228 -4.376 258 1HG1 VAL 39 1HG1 VAL 39 -8.568 -2.886 -6.729 259 2HG1 VAL 39 2HG1 VAL 39 -7.431 -1.552 -6.534 260 3HG1 VAL 39 3HG1 VAL 39 -9.120 -1.225 -6.917 261 1HG2 VAL 39 1HG2 VAL 39 -10.045 -0.082 -4.903 262 2HG2 VAL 39 2HG2 VAL 39 -10.460 -1.267 -3.666 263 3HG2 VAL 39 3HG2 VAL 39 -10.857 -1.580 -5.356 264 H LEU 40 H LEU 40 -6.330 -3.428 -3.851 265 HA LEU 40 HA LEU 40 -5.742 -5.114 -6.201 266 1HB LEU 40 2HB LEU 40 -3.991 -4.033 -3.972 267 2HB LEU 40 1HB LEU 40 -3.452 -4.595 -5.557 268 HG LEU 40 HG LEU 40 -5.434 -2.340 -5.210 269 1HD1 LEU 40 1HD1 LEU 40 -3.579 -1.337 -4.290 270 2HD1 LEU 40 2HD1 LEU 40 -3.283 -1.024 -5.999 271 3HD1 LEU 40 3HD1 LEU 40 -2.447 -2.347 -5.187 272 1HD2 LEU 40 1HD2 LEU 40 -4.814 -1.883 -7.537 273 2HD2 LEU 40 2HD2 LEU 40 -5.421 -3.531 -7.356 274 3HD2 LEU 40 3HD2 LEU 40 -3.686 -3.238 -7.502 275 H LEU 41 H LEU 41 -6.038 -5.391 -2.710 276 HA LEU 41 HA LEU 41 -4.761 -7.982 -2.473 277 1HB LEU 41 2HB LEU 41 -6.678 -6.327 -0.814 278 2HB LEU 41 1HB LEU 41 -6.094 -7.901 -0.277 279 HG LEU 41 HG LEU 41 -4.234 -5.669 -1.116 280 1HD1 LEU 41 1HD1 LEU 41 -5.379 -6.372 1.595 281 2HD1 LEU 41 2HD1 LEU 41 -5.413 -4.807 0.781 282 3HD1 LEU 41 3HD1 LEU 41 -3.890 -5.445 1.405 283 1HD2 LEU 41 1HD2 LEU 41 -3.915 -8.431 -0.539 284 2HD2 LEU 41 2HD2 LEU 41 -3.237 -7.544 0.828 285 3HD2 LEU 41 3HD2 LEU 41 -2.644 -7.236 -0.805 286 H ASN 42 H ASN 42 -7.756 -6.845 -3.687 287 HA ASN 42 HA ASN 42 -9.190 -9.367 -3.182 288 1HB ASN 42 2HB ASN 42 -9.808 -6.635 -3.628 289 2HB ASN 42 1HB ASN 42 -10.500 -7.530 -4.981 290 1HD2 ASN 42 1HD2 ASN 42 -11.944 -6.261 -2.676 291 2HD2 ASN 42 2HD2 ASN 42 -12.810 -7.519 -1.936 292 H SER 43 H SER 43 -6.958 -8.281 -5.421 293 HA SER 43 HA SER 43 -8.124 -9.444 -7.851 294 1HB SER 43 2HB SER 43 -5.317 -8.523 -7.162 295 2HB SER 43 1HB SER 43 -5.940 -8.805 -8.783 296 HG SER 43 HG SER 43 -7.367 -7.091 -7.104 297 H LYS 44 H LYS 44 -7.203 -10.963 -5.162 298 HA LYS 44 HA LYS 44 -6.447 -13.154 -4.712 299 1HB LYS 44 2HB LYS 44 -7.350 -13.049 -7.511 300 2HB LYS 44 1HB LYS 44 -6.192 -14.342 -7.195 301 1HG LYS 44 2HG LYS 44 -8.401 -13.951 -5.224 302 2HG LYS 44 1HG LYS 44 -8.809 -14.685 -6.776 303 1HD LYS 44 2HD LYS 44 -8.112 -16.634 -5.857 304 2HD LYS 44 1HD LYS 44 -6.478 -16.001 -6.067 305 1HE LYS 44 2HE LYS 44 -6.312 -15.323 -3.823 306 2HE LYS 44 1HE LYS 44 -8.073 -15.276 -3.609 307 1HZ LYS 44 1HZ LYS 44 -7.189 -17.281 -2.615 308 2HZ LYS 44 2HZ LYS 44 -6.422 -17.707 -4.070 309 3HZ LYS 44 3HZ LYS 44 -8.118 -17.687 -3.975 310 H LEU 45 H LEU 45 -4.667 -10.795 -5.933 311 HA LEU 45 HA LEU 45 -2.278 -12.420 -6.663 312 1HB LEU 45 2HB LEU 45 -3.231 -9.594 -7.014 313 2HB LEU 45 1HB LEU 45 -1.499 -9.920 -7.081 314 HG LEU 45 HG LEU 45 -3.580 -11.362 -8.748 315 1HD1 LEU 45 1HD1 LEU 45 -2.953 -9.988 -10.582 316 2HD1 LEU 45 2HD1 LEU 45 -1.541 -9.362 -9.737 317 3HD1 LEU 45 3HD1 LEU 45 -3.156 -8.859 -9.241 318 1HD2 LEU 45 1HD2 LEU 45 -1.870 -12.650 -9.557 319 2HD2 LEU 45 2HD2 LEU 45 -1.097 -12.237 -8.026 320 3HD2 LEU 45 3HD2 LEU 45 -0.707 -11.327 -9.483 321 HA PRO 46 HA PRO 46 -0.474 -11.664 -2.741 322 1HB PRO 46 2HB PRO 46 2.177 -11.753 -3.406 323 2HB PRO 46 1HB PRO 46 1.149 -13.196 -3.355 324 1HG PRO 46 2HG PRO 46 2.086 -11.626 -5.686 325 2HG PRO 46 1HG PRO 46 1.836 -13.369 -5.523 326 1HD PRO 46 2HD PRO 46 0.089 -11.659 -6.778 327 2HD PRO 46 1HD PRO 46 -0.364 -13.231 -6.091 328 H VAL 47 H VAL 47 1.138 -10.063 -1.667 329 HA VAL 47 HA VAL 47 0.575 -7.375 -2.538 330 HB VAL 47 HB VAL 47 1.961 -8.813 -0.361 331 1HG1 VAL 47 1HG1 VAL 47 2.799 -5.971 -0.989 332 2HG1 VAL 47 2HG1 VAL 47 3.821 -7.385 -1.237 333 3HG1 VAL 47 3HG1 VAL 47 3.314 -6.943 0.391 334 1HG2 VAL 47 1HG2 VAL 47 -0.329 -7.611 -0.429 335 2HG2 VAL 47 2HG2 VAL 47 0.608 -6.126 -0.254 336 3HG2 VAL 47 3HG2 VAL 47 0.688 -7.372 0.992 337 H ASP 48 H ASP 48 2.773 -9.687 -3.652 338 HA ASP 48 HA ASP 48 5.011 -7.954 -4.242 339 1HB ASP 48 2HB ASP 48 4.951 -10.502 -3.990 340 2HB ASP 48 1HB ASP 48 4.204 -10.548 -5.587 341 H ILE 49 H ILE 49 1.994 -8.833 -5.748 342 HA ILE 49 HA ILE 49 2.720 -7.587 -8.319 343 HB ILE 49 HB ILE 49 -0.005 -8.503 -7.393 344 1HG1 ILE 49 2HG1 ILE 49 1.464 -10.333 -6.834 345 2HG1 ILE 49 1HG1 ILE 49 0.659 -10.749 -8.347 346 1HG2 ILE 49 1HG2 ILE 49 1.288 -7.710 -9.887 347 2HG2 ILE 49 2HG2 ILE 49 -0.428 -7.839 -9.505 348 3HG2 ILE 49 3HG2 ILE 49 0.471 -9.269 -10.018 349 1HD1 ILE 49 1HD1 ILE 49 2.635 -9.901 -9.595 350 2HD1 ILE 49 2HD1 ILE 49 3.037 -11.250 -8.530 351 3HD1 ILE 49 3HD1 ILE 49 3.445 -9.599 -8.056 352 H LEU 50 H LEU 50 0.694 -7.024 -5.491 353 HA LEU 50 HA LEU 50 -0.408 -4.507 -6.474 354 1HB LEU 50 2HB LEU 50 -0.201 -5.423 -3.611 355 2HB LEU 50 1HB LEU 50 -1.478 -4.478 -4.369 356 HG LEU 50 HG LEU 50 -0.905 -7.423 -4.764 357 1HD1 LEU 50 1HD1 LEU 50 -2.178 -6.925 -2.761 358 2HD1 LEU 50 2HD1 LEU 50 -3.274 -7.595 -3.968 359 3HD1 LEU 50 3HD1 LEU 50 -3.253 -5.857 -3.665 360 1HD2 LEU 50 1HD2 LEU 50 -1.785 -7.206 -6.831 361 2HD2 LEU 50 2HD2 LEU 50 -2.077 -5.487 -6.567 362 3HD2 LEU 50 3HD2 LEU 50 -3.287 -6.672 -6.076 363 H GLY 51 H GLY 51 2.338 -5.603 -4.577 364 1HA GLY 51 2HA GLY 51 3.059 -3.007 -3.516 365 2HA GLY 51 1HA GLY 51 4.134 -4.405 -3.624 366 H ARG 52 H ARG 52 3.454 -4.691 -6.491 367 HA ARG 52 HA ARG 52 5.376 -2.690 -7.555 368 1HB ARG 52 2HB ARG 52 5.136 -5.441 -7.704 369 2HB ARG 52 1HB ARG 52 4.477 -4.904 -9.248 370 1HG ARG 52 2HG ARG 52 6.583 -3.379 -9.354 371 2HG ARG 52 1HG ARG 52 7.232 -4.467 -8.125 372 1HD ARG 52 2HD ARG 52 6.008 -6.019 -10.238 373 2HD ARG 52 1HD ARG 52 7.214 -4.907 -10.915 374 HE ARG 52 HE ARG 52 8.799 -6.355 -9.939 375 1HH1 ARG 52 1HH2 ARG 52 6.224 -7.851 -8.796 376 2HH1 ARG 52 2HH2 ARG 52 6.739 -8.038 -7.152 377 1HH2 ARG 52 2HH1 ARG 52 9.383 -5.811 -7.455 378 2HH2 ARG 52 1HH1 ARG 52 8.531 -6.881 -6.392 379 H VAL 53 H VAL 53 2.101 -4.021 -8.083 380 HA VAL 53 HA VAL 53 1.630 -2.574 -10.540 381 HB VAL 53 HB VAL 53 -0.060 -3.904 -8.420 382 1HG1 VAL 53 1HG1 VAL 53 -1.618 -3.351 -10.746 383 2HG1 VAL 53 2HG1 VAL 53 -0.943 -1.823 -10.186 384 3HG1 VAL 53 3HG1 VAL 53 -1.913 -2.812 -9.093 385 1HG2 VAL 53 1HG2 VAL 53 -0.020 -4.539 -11.358 386 2HG2 VAL 53 2HG2 VAL 53 -0.253 -5.622 -9.981 387 3HG2 VAL 53 3HG2 VAL 53 1.361 -5.014 -10.361 388 H TRP 54 H TRP 54 1.112 -1.845 -7.110 389 HA TRP 54 HA TRP 54 -0.318 0.615 -7.483 390 1HB TRP 54 2HB TRP 54 -0.319 -0.320 -5.307 391 2HB TRP 54 1HB TRP 54 1.425 -0.592 -5.330 392 HD1 TRP 54 HD1 TRP 54 2.992 1.649 -5.257 393 HE1 TRP 54 HE1 TRP 54 2.585 3.906 -4.122 394 HE3 TRP 54 HE3 TRP 54 -2.040 1.333 -4.496 395 HZ2 TRP 54 HZ2 TRP 54 0.395 5.396 -2.993 396 HZ3 TRP 54 HZ3 TRP 54 -3.267 3.179 -3.373 397 HH2 TRP 54 HH2 TRP 54 -2.057 5.200 -2.636 398 H GLU 55 H GLU 55 3.162 -0.014 -6.857 399 HA GLU 55 HA GLU 55 4.112 2.612 -6.966 400 1HB GLU 55 2HB GLU 55 5.296 0.003 -7.934 401 2HB GLU 55 1HB GLU 55 6.230 1.486 -7.713 402 1HG GLU 55 2HG GLU 55 5.398 1.550 -5.334 403 2HG GLU 55 1HG GLU 55 4.720 -0.057 -5.598 404 H LEU 56 H LEU 56 4.075 0.368 -9.762 405 HA LEU 56 HA LEU 56 4.702 2.370 -11.715 406 1HB LEU 56 2HB LEU 56 3.166 -0.247 -11.905 407 2HB LEU 56 1HB LEU 56 3.824 0.634 -13.284 408 HG LEU 56 HG LEU 56 5.769 0.140 -11.119 409 1HD1 LEU 56 1HD1 LEU 56 5.914 -2.171 -11.263 410 2HD1 LEU 56 2HD1 LEU 56 5.135 -2.223 -12.847 411 3HD1 LEU 56 3HD1 LEU 56 4.168 -1.956 -11.397 412 1HD2 LEU 56 1HD2 LEU 56 6.622 -0.903 -13.599 413 2HD2 LEU 56 2HD2 LEU 56 7.038 0.670 -12.917 414 3HD2 LEU 56 3HD2 LEU 56 5.650 0.514 -13.992 415 H SER 57 H SER 57 1.873 1.772 -9.886 416 HA SER 57 HA SER 57 0.032 3.074 -11.824 417 1HB SER 57 2HB SER 57 -0.216 1.648 -9.175 418 2HB SER 57 1HB SER 57 -1.582 2.474 -9.921 419 HG SER 57 HG SER 57 -0.402 0.100 -10.553 420 H ASP 58 H ASP 58 1.754 3.671 -8.834 421 HA ASP 58 HA ASP 58 0.236 6.029 -8.048 422 1HB ASP 58 2HB ASP 58 1.760 4.274 -6.757 423 2HB ASP 58 1HB ASP 58 3.027 5.442 -7.136 424 H ILE 59 H ILE 59 0.344 7.485 -9.853 425 HA ILE 59 HA ILE 59 2.843 8.233 -11.121 426 HB ILE 59 HB ILE 59 0.164 9.655 -10.976 427 1HG1 ILE 59 2HG1 ILE 59 0.073 7.227 -11.701 428 2HG1 ILE 59 1HG1 ILE 59 -0.477 8.375 -12.922 429 1HG2 ILE 59 1HG2 ILE 59 1.335 9.975 -13.492 430 2HG2 ILE 59 2HG2 ILE 59 2.675 10.160 -12.360 431 3HG2 ILE 59 3HG2 ILE 59 1.252 11.192 -12.217 432 1HD1 ILE 59 1HD1 ILE 59 0.977 6.836 -14.047 433 2HD1 ILE 59 2HD1 ILE 59 2.199 6.970 -12.782 434 3HD1 ILE 59 3HD1 ILE 59 1.888 8.334 -13.855 435 H ASP 60 H ASP 60 0.936 9.468 -8.412 436 HA ASP 60 HA ASP 60 2.742 11.810 -8.092 437 1HB ASP 60 2HB ASP 60 0.437 11.037 -6.309 438 2HB ASP 60 1HB ASP 60 1.027 12.650 -6.704 439 H HIS 61 H HIS 61 2.311 8.611 -6.907 440 HA HIS 61 HA HIS 61 3.346 7.428 -5.140 441 1HB HIS 61 2HB HIS 61 5.267 9.701 -5.707 442 2HB HIS 61 1HB HIS 61 5.664 8.339 -4.659 443 HD1 HIS 61 HD1 HIS 61 5.928 6.000 -5.772 444 HD2 HIS 61 HD2 HIS 61 5.173 9.083 -8.475 445 HE1 HIS 61 HE1 HIS 61 6.404 5.064 -8.078 446 H ASP 62 H ASP 62 1.291 9.015 -4.171 447 HA ASP 62 HA ASP 62 2.474 10.172 -1.666 448 1HB ASP 62 2HB ASP 62 0.540 11.754 -1.765 449 2HB ASP 62 1HB ASP 62 1.581 11.890 -3.184 450 H GLY 63 H GLY 63 1.624 7.409 -2.104 451 1HA GLY 63 2HA GLY 63 0.288 5.780 -1.070 452 2HA GLY 63 1HA GLY 63 0.008 6.981 0.194 453 H MET 64 H MET 64 -0.822 7.477 -3.195 454 HA MET 64 HA MET 64 -3.700 6.988 -2.634 455 1HB MET 64 2HB MET 64 -2.358 9.625 -3.183 456 2HB MET 64 1HB MET 64 -4.053 9.377 -3.591 457 1HG MET 64 2HG MET 64 -4.608 8.885 -1.308 458 2HG MET 64 1HG MET 64 -2.900 8.858 -0.848 459 1HE MET 64 1HE MET 64 -5.436 10.723 0.420 460 2HE MET 64 2HE MET 64 -6.036 10.586 -1.230 461 3HE MET 64 3HE MET 64 -5.734 12.178 -0.540 462 H LEU 65 H LEU 65 -5.008 7.083 -4.616 463 HA LEU 65 HA LEU 65 -3.437 6.949 -7.166 464 1HB LEU 65 2HB LEU 65 -5.413 5.029 -5.934 465 2HB LEU 65 1HB LEU 65 -5.210 5.086 -7.684 466 HG LEU 65 HG LEU 65 -3.090 4.469 -5.612 467 1HD1 LEU 65 1HD1 LEU 65 -3.448 2.313 -6.173 468 2HD1 LEU 65 2HD1 LEU 65 -3.373 2.688 -7.894 469 3HD1 LEU 65 3HD1 LEU 65 -4.897 2.856 -7.021 470 1HD2 LEU 65 1HD2 LEU 65 -2.893 5.288 -8.494 471 2HD2 LEU 65 2HD2 LEU 65 -1.754 4.098 -7.867 472 3HD2 LEU 65 3HD2 LEU 65 -1.837 5.704 -7.143 473 H ASP 66 H ASP 66 -4.226 8.747 -8.268 474 HA ASP 66 HA ASP 66 -6.844 9.875 -7.823 475 1HB ASP 66 2HB ASP 66 -4.601 10.860 -8.734 476 2HB ASP 66 1HB ASP 66 -5.181 10.276 -10.292 477 H ARG 67 H ARG 67 -8.437 10.127 -9.657 478 HA ARG 67 HA ARG 67 -9.609 7.760 -10.506 479 1HB ARG 67 2HB ARG 67 -10.651 9.208 -12.264 480 2HB ARG 67 1HB ARG 67 -10.623 9.981 -10.678 481 1HG ARG 67 2HG ARG 67 -8.302 10.912 -11.502 482 2HG ARG 67 1HG ARG 67 -8.959 10.575 -13.102 483 1HD ARG 67 2HD ARG 67 -10.755 12.010 -11.198 484 2HD ARG 67 1HD ARG 67 -9.399 12.929 -11.882 485 HE ARG 67 HE ARG 67 -11.629 11.739 -13.421 486 1HH1 ARG 67 1HH2 ARG 67 -8.340 12.698 -13.531 487 2HH1 ARG 67 2HH2 ARG 67 -8.459 13.432 -15.095 488 1HH2 ARG 67 2HH1 ARG 67 -11.877 12.917 -15.370 489 2HH2 ARG 67 1HH1 ARG 67 -10.462 13.556 -16.136 490 H ASP 68 H ASP 68 -7.171 9.658 -12.279 491 HA ASP 68 HA ASP 68 -7.041 7.760 -14.503 492 1HB ASP 68 2HB ASP 68 -6.577 10.079 -14.915 493 2HB ASP 68 1HB ASP 68 -5.428 10.151 -13.579 494 H GLU 69 H GLU 69 -5.198 8.454 -11.574 495 HA GLU 69 HA GLU 69 -2.957 6.736 -12.051 496 1HB GLU 69 2HB GLU 69 -3.917 8.502 -10.117 497 2HB GLU 69 1HB GLU 69 -3.895 6.945 -9.286 498 1HG GLU 69 2HG GLU 69 -1.607 6.682 -9.545 499 2HG GLU 69 1HG GLU 69 -1.538 7.761 -10.939 500 H PHE 70 H PHE 70 -5.929 6.241 -10.172 501 HA PHE 70 HA PHE 70 -5.599 3.540 -9.436 502 1HB PHE 70 2HB PHE 70 -7.358 5.388 -8.880 503 2HB PHE 70 1HB PHE 70 -8.208 4.795 -10.306 504 HD1 PHE 70 HD1 PHE 70 -7.242 4.096 -6.855 505 HD2 PHE 70 HD2 PHE 70 -9.054 2.469 -10.392 506 HE1 PHE 70 HE1 PHE 70 -8.202 2.248 -5.512 507 HE2 PHE 70 HE2 PHE 70 -10.011 0.619 -9.048 508 HZ PHE 70 HZ PHE 70 -9.589 0.513 -6.609 509 H ALA 71 H ALA 71 -6.250 4.978 -12.524 510 HA ALA 71 HA ALA 71 -7.475 2.668 -13.793 511 1HB ALA 71 1HB ALA 71 -7.289 4.011 -15.750 512 2HB ALA 71 2HB ALA 71 -5.880 4.867 -15.118 513 3HB ALA 71 3HB ALA 71 -7.480 5.175 -14.439 514 H VAL 72 H VAL 72 -4.201 4.031 -13.757 515 HA VAL 72 HA VAL 72 -2.938 2.131 -15.446 516 HB VAL 72 HB VAL 72 -1.836 3.584 -13.022 517 1HG1 VAL 72 1HG1 VAL 72 -0.146 2.153 -13.830 518 2HG1 VAL 72 2HG1 VAL 72 0.196 3.685 -14.636 519 3HG1 VAL 72 3HG1 VAL 72 -0.623 2.390 -15.508 520 1HG2 VAL 72 1HG2 VAL 72 -2.675 4.518 -15.744 521 2HG2 VAL 72 2HG2 VAL 72 -1.252 5.257 -15.005 522 3HG2 VAL 72 3HG2 VAL 72 -2.814 5.338 -14.187 523 H ALA 73 H ALA 73 -3.858 1.994 -12.055 524 HA ALA 73 HA ALA 73 -2.288 -0.461 -11.571 525 1HB ALA 73 1HB ALA 73 -3.486 1.703 -10.110 526 2HB ALA 73 2HB ALA 73 -2.339 0.491 -9.535 527 3HB ALA 73 3HB ALA 73 -4.073 0.173 -9.453 528 H MET 74 H MET 74 -5.311 0.168 -12.946 529 HA MET 74 HA MET 74 -6.660 -2.196 -11.779 530 1HB MET 74 2HB MET 74 -7.371 -0.189 -13.945 531 2HB MET 74 1HB MET 74 -8.454 -1.466 -13.390 532 1HG MET 74 2HG MET 74 -7.270 0.158 -11.232 533 2HG MET 74 1HG MET 74 -8.364 1.038 -12.300 534 1HE MET 74 1HE MET 74 -9.319 -1.645 -8.917 535 2HE MET 74 2HE MET 74 -8.015 -0.507 -9.246 536 3HE MET 74 3HE MET 74 -7.960 -2.123 -9.946 537 H PHE 75 H PHE 75 -5.294 -1.204 -14.928 538 HA PHE 75 HA PHE 75 -5.841 -3.821 -16.114 539 1HB PHE 75 2HB PHE 75 -5.033 -2.817 -18.070 540 2HB PHE 75 1HB PHE 75 -5.571 -1.404 -17.169 541 HD1 PHE 75 HD1 PHE 75 -2.647 -3.346 -18.295 542 HD2 PHE 75 HD2 PHE 75 -3.976 0.139 -16.168 543 HE1 PHE 75 HE1 PHE 75 -0.344 -2.429 -18.360 544 HE2 PHE 75 HE2 PHE 75 -1.679 1.051 -16.237 545 HZ PHE 75 HZ PHE 75 0.141 -0.227 -17.331 546 H LEU 76 H LEU 76 -3.352 -2.333 -14.229 547 HA LEU 76 HA LEU 76 -1.191 -4.161 -14.914 548 1HB LEU 76 2HB LEU 76 -1.808 -1.998 -12.966 549 2HB LEU 76 1HB LEU 76 -0.570 -3.154 -12.473 550 HG LEU 76 HG LEU 76 -0.573 -1.638 -15.100 551 1HD1 LEU 76 1HD1 LEU 76 -0.189 -0.272 -12.988 552 2HD1 LEU 76 2HD1 LEU 76 1.136 -0.245 -14.152 553 3HD1 LEU 76 3HD1 LEU 76 1.248 -1.257 -12.712 554 1HD2 LEU 76 1HD2 LEU 76 0.910 -3.930 -14.077 555 2HD2 LEU 76 2HD2 LEU 76 1.987 -2.590 -14.473 556 3HD2 LEU 76 3HD2 LEU 76 0.902 -3.242 -15.702 557 H VAL 77 H VAL 77 -3.966 -4.197 -12.831 558 HA VAL 77 HA VAL 77 -2.988 -6.463 -11.195 559 HB VAL 77 HB VAL 77 -5.446 -4.685 -11.309 560 1HG1 VAL 77 1HG1 VAL 77 -6.054 -7.044 -10.649 561 2HG1 VAL 77 2HG1 VAL 77 -6.316 -5.858 -9.371 562 3HG1 VAL 77 3HG1 VAL 77 -4.906 -6.913 -9.315 563 1HG2 VAL 77 1HG2 VAL 77 -3.371 -3.754 -10.343 564 2HG2 VAL 77 2HG2 VAL 77 -3.282 -5.113 -9.223 565 3HG2 VAL 77 3HG2 VAL 77 -4.615 -3.966 -9.115 566 H TYR 78 H TYR 78 -5.920 -5.801 -13.151 567 HA TYR 78 HA TYR 78 -6.821 -8.455 -13.280 568 1HB TYR 78 2HB TYR 78 -7.201 -5.919 -14.742 569 2HB TYR 78 1HB TYR 78 -7.676 -7.370 -15.629 570 HD1 TYR 78 HD1 TYR 78 -8.761 -4.969 -13.292 571 HD2 TYR 78 HD2 TYR 78 -8.993 -9.167 -14.169 572 HE1 TYR 78 HE1 TYR 78 -10.807 -5.141 -11.906 573 HE2 TYR 78 HE2 TYR 78 -11.040 -9.346 -12.780 574 HH TYR 78 HH TYR 78 -12.652 -6.509 -11.509 575 H CYS 79 H CYS 79 -4.129 -7.012 -14.925 576 HA CYS 79 HA CYS 79 -4.057 -9.016 -17.074 577 1HB CYS 79 2HB CYS 79 -2.409 -6.692 -16.120 578 2HB CYS 79 1HB CYS 79 -1.694 -7.837 -17.252 579 HG CYS 79 HG CYS 79 -3.406 -7.179 -19.030 580 H ALA 80 H ALA 80 -3.007 -8.766 -13.800 581 HA ALA 80 HA ALA 80 -0.802 -10.696 -14.065 582 1HB ALA 80 1HB ALA 80 -2.077 -8.984 -11.979 583 2HB ALA 80 2HB ALA 80 -0.370 -9.184 -12.372 584 3HB ALA 80 3HB ALA 80 -1.206 -10.411 -11.420 585 H LEU 81 H LEU 81 -4.201 -10.746 -13.644 586 HA LEU 81 HA LEU 81 -4.255 -13.348 -12.254 587 1HB LEU 81 2HB LEU 81 -6.311 -11.422 -13.353 588 2HB LEU 81 1HB LEU 81 -6.757 -12.970 -12.631 589 HG LEU 81 HG LEU 81 -5.202 -12.165 -10.671 590 1HD1 LEU 81 1HD1 LEU 81 -5.993 -9.587 -12.034 591 2HD1 LEU 81 2HD1 LEU 81 -4.355 -10.194 -11.794 592 3HD1 LEU 81 3HD1 LEU 81 -5.323 -9.698 -10.405 593 1HD2 LEU 81 1HD2 LEU 81 -7.254 -10.846 -9.771 594 2HD2 LEU 81 2HD2 LEU 81 -7.489 -12.541 -10.201 595 3HD2 LEU 81 3HD2 LEU 81 -8.012 -11.270 -11.306 596 H GLU 82 H GLU 82 -4.974 -11.975 -15.437 597 HA GLU 82 HA GLU 82 -5.870 -14.450 -16.622 598 1HB GLU 82 2HB GLU 82 -4.693 -11.992 -17.947 599 2HB GLU 82 1HB GLU 82 -5.830 -13.142 -18.655 600 1HG GLU 82 2HG GLU 82 -6.861 -12.100 -16.154 601 2HG GLU 82 1HG GLU 82 -6.474 -10.785 -17.264 602 H LYS 83 H LYS 83 -2.810 -12.616 -16.898 603 HA LYS 83 HA LYS 83 -1.137 -14.924 -16.796 604 1HB LYS 83 2HB LYS 83 -2.640 -14.667 -19.153 605 2HB LYS 83 1HB LYS 83 -0.986 -14.238 -19.587 606 1HG LYS 83 2HG LYS 83 -0.231 -16.339 -18.393 607 2HG LYS 83 1HG LYS 83 -1.930 -16.790 -18.261 608 1HD LYS 83 2HD LYS 83 -1.501 -17.818 -20.263 609 2HD LYS 83 1HD LYS 83 -1.830 -16.206 -20.896 610 1HE LYS 83 2HE LYS 83 0.666 -15.724 -20.639 611 2HE LYS 83 1HE LYS 83 0.873 -17.464 -20.357 612 1HZ LYS 83 1HZ LYS 83 -0.126 -17.967 -22.427 613 2HZ LYS 83 2HZ LYS 83 1.025 -16.757 -22.745 614 3HZ LYS 83 3HZ LYS 83 -0.626 -16.364 -22.668 615 H GLU 84 H GLU 84 -1.596 -11.616 -17.877 616 HA GLU 84 HA GLU 84 1.235 -11.121 -18.398 617 1HB GLU 84 2HB GLU 84 -1.255 -9.432 -18.109 618 2HB GLU 84 1HB GLU 84 0.325 -8.728 -18.458 619 1HG GLU 84 2HG GLU 84 -1.142 -10.793 -20.125 620 2HG GLU 84 1HG GLU 84 -0.842 -9.111 -20.560 621 HA PRO 85 HA PRO 85 1.986 -10.668 -13.981 622 1HB PRO 85 2HB PRO 85 4.709 -10.471 -14.244 623 2HB PRO 85 1HB PRO 85 3.844 -12.022 -14.247 624 1HG PRO 85 2HG PRO 85 4.873 -10.427 -16.548 625 2HG PRO 85 1HG PRO 85 4.903 -12.178 -16.287 626 1HD PRO 85 2HD PRO 85 3.100 -10.979 -17.912 627 2HD PRO 85 1HD PRO 85 2.735 -12.460 -16.998 628 H VAL 86 H VAL 86 3.762 -8.948 -12.944 629 HA VAL 86 HA VAL 86 3.337 -6.366 -14.414 630 HB VAL 86 HB VAL 86 3.061 -7.020 -11.465 631 1HG1 VAL 86 1HG1 VAL 86 3.485 -4.837 -11.111 632 2HG1 VAL 86 2HG1 VAL 86 2.028 -4.466 -12.033 633 3HG1 VAL 86 3HG1 VAL 86 3.594 -4.528 -12.843 634 1HG2 VAL 86 1HG2 VAL 86 0.908 -7.433 -11.985 635 2HG2 VAL 86 2HG2 VAL 86 1.240 -7.099 -13.685 636 3HG2 VAL 86 3HG2 VAL 86 0.758 -5.789 -12.606 637 HA PRO 87 HA PRO 87 7.770 -6.430 -13.612 638 1HB PRO 87 2HB PRO 87 8.375 -4.547 -15.501 639 2HB PRO 87 1HB PRO 87 8.105 -6.255 -15.899 640 1HG PRO 87 2HG PRO 87 6.302 -3.927 -16.239 641 2HG PRO 87 1HG PRO 87 6.488 -5.369 -17.244 642 1HD PRO 87 2HD PRO 87 4.437 -4.953 -15.446 643 2HD PRO 87 1HD PRO 87 4.951 -6.543 -16.050 644 H MET 88 H MET 88 9.246 -4.144 -13.601 645 HA MET 88 HA MET 88 7.758 -2.354 -11.705 646 1HB MET 88 2HB MET 88 10.573 -3.333 -11.966 647 2HB MET 88 1HB MET 88 10.246 -1.812 -11.133 648 1HG MET 88 2HG MET 88 8.329 -3.535 -10.118 649 2HG MET 88 1HG MET 88 9.762 -4.552 -10.238 650 1HE MET 88 1HE MET 88 11.667 -4.386 -9.449 651 2HE MET 88 2HE MET 88 11.690 -4.215 -7.696 652 3HE MET 88 3HE MET 88 12.476 -3.001 -8.701 653 H SER 89 H SER 89 8.172 -2.245 -14.789 654 HA SER 89 HA SER 89 9.474 0.446 -14.828 655 1HB SER 89 2HB SER 89 9.107 -1.680 -16.943 656 2HB SER 89 1HB SER 89 9.813 -0.096 -17.244 657 HG SER 89 HG SER 89 11.046 -2.238 -16.403 658 H LEU 90 H LEU 90 7.754 1.796 -14.540 659 HA LEU 90 HA LEU 90 5.153 1.364 -15.716 660 1HB LEU 90 2HB LEU 90 4.975 2.768 -13.918 661 2HB LEU 90 1HB LEU 90 6.640 3.318 -14.074 662 HG LEU 90 HG LEU 90 5.987 4.795 -15.905 663 1HD1 LEU 90 1HD1 LEU 90 3.629 3.145 -15.846 664 2HD1 LEU 90 2HD1 LEU 90 4.081 4.362 -17.036 665 3HD1 LEU 90 3HD1 LEU 90 3.157 4.828 -15.609 666 1HD2 LEU 90 1HD2 LEU 90 4.110 6.046 -14.372 667 2HD2 LEU 90 2HD2 LEU 90 5.840 6.112 -14.041 668 3HD2 LEU 90 3HD2 LEU 90 4.822 4.951 -13.188 669 HA PRO 91 HA PRO 91 6.795 2.438 -19.765 670 1HB PRO 91 2HB PRO 91 4.460 1.895 -21.105 671 2HB PRO 91 1HB PRO 91 5.617 0.644 -20.605 672 1HG PRO 91 2HG PRO 91 3.094 1.523 -19.271 673 2HG PRO 91 1HG PRO 91 3.709 -0.117 -19.541 674 1HD PRO 91 2HD PRO 91 3.939 1.098 -17.156 675 2HD PRO 91 1HD PRO 91 5.203 0.006 -17.770 676 HA PRO 92 HA PRO 92 5.335 6.579 -20.038 677 1HB PRO 92 2HB PRO 92 6.262 7.158 -22.540 678 2HB PRO 92 1HB PRO 92 7.322 7.035 -21.123 679 1HG PRO 92 2HG PRO 92 6.823 5.064 -23.292 680 2HG PRO 92 1HG PRO 92 8.328 5.453 -22.447 681 1HD PRO 92 2HD PRO 92 6.808 3.249 -21.907 682 2HD PRO 92 1HD PRO 92 7.872 4.029 -20.717 683 H ALA 93 H ALA 93 4.170 4.026 -21.898 684 HA ALA 93 HA ALA 93 2.373 5.626 -23.617 685 1HB ALA 93 1HB ALA 93 1.703 3.415 -24.426 686 2HB ALA 93 2HB ALA 93 2.496 2.640 -23.055 687 3HB ALA 93 3HB ALA 93 3.462 3.450 -24.289 688 H LEU 94 H LEU 94 2.447 4.059 -20.559 689 HA LEU 94 HA LEU 94 -0.492 4.132 -20.177 690 1HB LEU 94 2HB LEU 94 0.494 2.146 -19.401 691 2HB LEU 94 1HB LEU 94 1.970 2.961 -18.908 692 HG LEU 94 HG LEU 94 0.472 2.120 -17.036 693 1HD1 LEU 94 1HD1 LEU 94 0.578 4.915 -16.369 694 2HD1 LEU 94 2HD1 LEU 94 1.997 4.488 -17.332 695 3HD1 LEU 94 3HD1 LEU 94 1.644 3.613 -15.839 696 1HD2 LEU 94 1HD2 LEU 94 -1.415 3.688 -18.512 697 2HD2 LEU 94 2HD2 LEU 94 -1.223 4.405 -16.912 698 3HD2 LEU 94 3HD2 LEU 94 -1.694 2.715 -17.070 699 H VAL 95 H VAL 95 2.231 6.133 -19.770 700 HA VAL 95 HA VAL 95 1.336 7.470 -17.314 701 HB VAL 95 HB VAL 95 3.496 8.023 -19.369 702 1HG1 VAL 95 1HG1 VAL 95 4.385 9.653 -17.856 703 2HG1 VAL 95 2HG1 VAL 95 3.241 9.200 -16.591 704 3HG1 VAL 95 3HG1 VAL 95 2.672 10.035 -18.037 705 1HG2 VAL 95 1HG2 VAL 95 4.983 6.978 -17.824 706 2HG2 VAL 95 2HG2 VAL 95 3.585 5.909 -17.924 707 3HG2 VAL 95 3HG2 VAL 95 3.774 6.985 -16.540 708 HA PRO 96 HA PRO 96 -1.316 10.269 -19.552 709 1HB PRO 96 2HB PRO 96 -1.887 11.887 -17.411 710 2HB PRO 96 1HB PRO 96 -2.642 10.298 -17.647 711 1HG PRO 96 2HG PRO 96 -0.392 11.088 -15.867 712 2HG PRO 96 1HG PRO 96 -1.722 9.957 -15.571 713 1HD PRO 96 2HD PRO 96 0.802 9.168 -16.221 714 2HD PRO 96 1HD PRO 96 -0.652 8.221 -16.606 715 HA PRO 97 HA PRO 97 1.138 13.832 -20.400 716 1HB PRO 97 2HB PRO 97 -0.527 15.996 -20.076 717 2HB PRO 97 1HB PRO 97 -0.630 14.886 -21.459 718 1HG PRO 97 2HG PRO 97 -2.260 14.941 -18.957 719 2HG PRO 97 1HG PRO 97 -2.780 14.697 -20.634 720 1HD PRO 97 2HD PRO 97 -2.500 12.639 -18.933 721 2HD PRO 97 1HD PRO 97 -2.120 12.481 -20.662 722 H SER 98 H SER 98 1.691 16.174 -19.377 723 HA SER 98 HA SER 98 2.400 17.402 -17.483 724 1HB SER 98 2HB SER 98 0.069 16.273 -16.684 725 2HB SER 98 1HB SER 98 1.183 15.469 -15.581 726 HG SER 98 HG SER 98 0.524 17.397 -14.659 727 H LYS 99 H LYS 99 2.412 13.880 -16.916 728 HA LYS 99 HA LYS 99 5.066 14.068 -15.638 729 1HB LYS 99 2HB LYS 99 3.347 12.565 -14.738 730 2HB LYS 99 1HB LYS 99 3.185 11.778 -16.308 731 1HG LYS 99 2HG LYS 99 5.264 10.719 -16.142 732 2HG LYS 99 1HG LYS 99 5.874 11.885 -14.967 733 1HD LYS 99 2HD LYS 99 3.490 10.403 -14.070 734 2HD LYS 99 1HD LYS 99 4.914 9.393 -14.327 735 1HE LYS 99 2HE LYS 99 6.078 11.444 -12.999 736 2HE LYS 99 1HE LYS 99 4.452 11.519 -12.294 737 1HZ LYS 99 1HZ LYS 99 5.075 9.784 -11.056 738 2HZ LYS 99 2HZ LYS 99 6.470 9.504 -11.984 739 3HZ LYS 99 3HZ LYS 99 4.979 8.848 -12.466 740 H ARG 100 H ARG 100 4.183 14.441 -18.681 741 HA ARG 100 HA ARG 100 5.292 12.482 -20.338 742 1HB ARG 100 2HB ARG 100 5.348 15.511 -20.446 743 2HB ARG 100 1HB ARG 100 5.846 14.501 -21.804 744 1HG ARG 100 2HG ARG 100 3.155 14.184 -20.460 745 2HG ARG 100 1HG ARG 100 3.406 15.277 -21.822 746 1HD ARG 100 2HD ARG 100 3.202 13.528 -23.246 747 2HD ARG 100 1HD ARG 100 4.597 12.747 -22.476 748 HE ARG 100 HE ARG 100 2.382 12.431 -20.733 749 1HH1 ARG 100 1HH2 ARG 100 0.980 11.981 -23.357 750 2HH1 ARG 100 2HH2 ARG 100 1.191 10.277 -23.587 751 1HH2 ARG 100 2HH1 ARG 100 3.728 10.008 -21.238 752 2HH2 ARG 100 1HH1 ARG 100 2.748 9.160 -22.387 753 H SER 107 1H SER 107 7.682 7.570 -2.081 754 HA SER 107 HA SER 107 6.513 5.870 -3.055 755 1HB SER 107 2HB SER 107 9.129 5.219 -3.802 756 2HB SER 107 1HB SER 107 8.555 3.785 -2.956 757 HG SER 107 HG SER 107 8.017 4.484 -5.406 758 H THR 108 H THR 108 5.134 5.096 -1.501 759 HA THR 108 HA THR 108 6.282 3.948 1.003 760 HB THR 108 HB THR 108 3.367 4.400 0.682 761 HG1 THR 108 HG1 THR 108 5.290 6.475 0.543 762 1HG2 THR 108 1HG2 THR 108 5.521 4.940 2.712 763 2HG2 THR 108 2HG2 THR 108 4.067 3.956 2.877 764 3HG2 THR 108 3HG2 THR 108 3.943 5.716 2.855 765 H ASN 109 H ASN 109 3.793 3.250 -1.473 766 HA ASN 109 HA ASN 109 2.792 1.204 -2.097 767 1HB ASN 109 2HB ASN 109 5.332 1.005 -2.540 768 2HB ASN 109 1HB ASN 109 5.371 -0.010 -1.094 769 1HD2 ASN 109 1HD2 ASN 109 3.239 0.291 -3.993 770 2HD2 ASN 109 2HD2 ASN 109 3.158 -1.370 -4.294 771 HA PRO 110 HA PRO 110 1.474 0.242 2.174 772 1HB PRO 110 2HB PRO 110 -1.156 -0.063 1.472 773 2HB PRO 110 1HB PRO 110 -0.421 1.518 1.809 774 1HG PRO 110 2HG PRO 110 -0.960 0.206 -0.817 775 2HG PRO 110 1HG PRO 110 -1.199 1.891 -0.329 776 1HD PRO 110 2HD PRO 110 0.926 1.107 -1.793 777 2HD PRO 110 1HD PRO 110 1.017 2.435 -0.619 778 H PHE 111 H PHE 111 2.064 -1.638 -0.462 779 HA PHE 111 HA PHE 111 0.498 -4.000 0.447 780 1HB PHE 111 2HB PHE 111 2.329 -3.685 -1.951 781 2HB PHE 111 1HB PHE 111 1.055 -4.885 -1.726 782 HD1 PHE 111 HD1 PHE 111 1.720 -1.258 -2.203 783 HD2 PHE 111 HD2 PHE 111 -1.255 -4.365 -2.206 784 HE1 PHE 111 HE1 PHE 111 0.062 0.311 -3.153 785 HE2 PHE 111 HE2 PHE 111 -2.896 -2.780 -3.154 786 HZ PHE 111 HZ PHE 111 -2.236 -0.441 -3.625 787 H ARG 112 HN ARG 112 3.864 -3.011 -0.202 788 HA ARG 112 HA ARG 112 4.957 -5.487 0.919 789 1HB ARG 112 2HB ARG 112 5.796 -3.232 -0.641 790 2HB ARG 112 1HB ARG 112 6.876 -3.379 0.746 791 1HG ARG 112 2HG ARG 112 7.202 -5.785 0.209 792 2HG ARG 112 1HG ARG 112 6.185 -5.583 -1.218 793 1HD ARG 112 2HD ARG 112 8.174 -3.513 -1.243 794 2HD ARG 112 1HD ARG 112 8.982 -5.078 -1.009 795 HE ARG 112 HE ARG 112 7.280 -4.346 -3.326 796 1HH1 ARG 112 1HH2 ARG 112 10.007 -5.374 -3.762 797 2HH1 ARG 112 2HH2 ARG 112 9.741 -7.051 -4.105 798 1HH2 ARG 112 1HH1 ARG 112 6.523 -7.075 -2.809 799 2HH2 ARG 112 2HH1 ARG 112 7.766 -8.015 -3.565 Start of MODEL 20 1 HA PRO 6 HA PRO 6 -2.944 5.618 -27.599 2 1HB PRO 6 2HB PRO 6 -3.678 2.986 -27.464 3 2HB PRO 6 1HB PRO 6 -3.841 3.959 -28.939 4 1HG PRO 6 2HG PRO 6 -1.773 1.953 -28.214 5 2HG PRO 6 1HG PRO 6 -2.518 2.292 -29.784 6 1HD PRO 6 2HD PRO 6 -0.020 3.155 -29.052 7 2HD PRO 6 1HD PRO 6 -1.034 3.956 -30.271 8 H TRP 7 H TRP 7 -3.674 5.283 -25.426 9 HA TRP 7 HA TRP 7 -1.634 4.769 -23.443 10 1HB TRP 7 2HB TRP 7 -3.556 6.318 -23.199 11 2HB TRP 7 1HB TRP 7 -4.664 4.950 -23.274 12 HD1 TRP 7 HD1 TRP 7 -1.502 4.268 -21.426 13 HE1 TRP 7 HE1 TRP 7 -1.961 4.187 -18.891 14 HE3 TRP 7 HE3 TRP 7 -6.259 6.115 -21.338 15 HZ2 TRP 7 HZ2 TRP 7 -4.073 4.823 -17.063 16 HZ3 TRP 7 HZ3 TRP 7 -7.471 6.368 -19.190 17 HH2 TRP 7 HH2 TRP 7 -6.385 5.725 -17.055 18 H ALA 8 H ALA 8 -1.029 2.783 -22.654 19 HA ALA 8 HA ALA 8 -1.738 0.283 -23.541 20 1HB ALA 8 1HB ALA 8 0.048 0.587 -21.981 21 2HB ALA 8 2HB ALA 8 -1.129 -0.435 -21.153 22 3HB ALA 8 3HB ALA 8 -1.036 1.286 -20.774 23 H VAL 9 H VAL 9 -3.604 2.322 -21.376 24 HA VAL 9 HA VAL 9 -5.567 0.158 -20.838 25 HB VAL 9 HB VAL 9 -5.214 3.030 -19.932 26 1HG1 VAL 9 1HG1 VAL 9 -7.364 1.001 -19.281 27 2HG1 VAL 9 2HG1 VAL 9 -7.579 2.628 -19.928 28 3HG1 VAL 9 3HG1 VAL 9 -7.033 2.404 -18.265 29 1HG2 VAL 9 1HG2 VAL 9 -4.316 2.149 -17.984 30 2HG2 VAL 9 2HG2 VAL 9 -3.777 0.933 -19.143 31 3HG2 VAL 9 3HG2 VAL 9 -5.197 0.630 -18.141 32 H LYS 10 H LYS 10 -7.928 0.727 -21.229 33 HA LYS 10 HA LYS 10 -8.206 2.377 -23.724 34 1HB LYS 10 2HB LYS 10 -9.123 -0.316 -22.864 35 2HB LYS 10 1HB LYS 10 -10.280 0.632 -23.799 36 1HG LYS 10 2HG LYS 10 -8.961 0.633 -25.695 37 2HG LYS 10 1HG LYS 10 -7.459 0.538 -24.773 38 1HD LYS 10 2HD LYS 10 -8.578 -1.839 -24.100 39 2HD LYS 10 1HD LYS 10 -9.229 -1.640 -25.727 40 1HE LYS 10 2HE LYS 10 -6.873 -1.168 -26.527 41 2HE LYS 10 1HE LYS 10 -6.306 -1.640 -24.912 42 1HZ LYS 10 1HZ LYS 10 -7.948 -3.288 -26.760 43 2HZ LYS 10 2HZ LYS 10 -7.565 -3.723 -25.164 44 3HZ LYS 10 3HZ LYS 10 -6.334 -3.572 -26.325 45 HA PRO 11 HA PRO 11 -11.400 4.718 -21.856 46 1HB PRO 11 2HB PRO 11 -13.466 4.606 -23.657 47 2HB PRO 11 1HB PRO 11 -11.995 5.562 -23.927 48 1HG PRO 11 2HG PRO 11 -12.722 2.868 -24.980 49 2HG PRO 11 1HG PRO 11 -11.935 4.226 -25.803 50 1HD PRO 11 2HD PRO 11 -10.548 2.098 -24.889 51 2HD PRO 11 1HD PRO 11 -9.861 3.738 -24.922 52 H GLU 12 H GLU 12 -12.450 1.564 -23.096 53 HA GLU 12 HA GLU 12 -14.820 1.382 -21.431 54 1HB GLU 12 2HB GLU 12 -14.871 -0.892 -22.284 55 2HB GLU 12 1HB GLU 12 -14.332 0.161 -23.592 56 1HG GLU 12 2HG GLU 12 -11.933 -0.395 -22.608 57 2HG GLU 12 1HG GLU 12 -12.764 -1.821 -21.987 58 H ASP 13 H ASP 13 -11.418 0.588 -21.011 59 HA ASP 13 HA ASP 13 -11.852 -0.995 -18.578 60 1HB ASP 13 2HB ASP 13 -9.428 0.208 -19.953 61 2HB ASP 13 1HB ASP 13 -9.328 -0.831 -18.533 62 H LYS 14 H LYS 14 -10.840 2.267 -19.469 63 HA LYS 14 HA LYS 14 -10.263 3.186 -16.800 64 1HB LYS 14 2HB LYS 14 -9.326 4.522 -18.437 65 2HB LYS 14 1HB LYS 14 -10.680 4.285 -19.538 66 1HG LYS 14 2HG LYS 14 -10.701 6.596 -18.818 67 2HG LYS 14 1HG LYS 14 -12.059 5.778 -18.046 68 1HD LYS 14 2HD LYS 14 -11.199 6.759 -16.166 69 2HD LYS 14 1HD LYS 14 -10.150 5.341 -16.181 70 1HE LYS 14 2HE LYS 14 -8.498 6.673 -17.557 71 2HE LYS 14 1HE LYS 14 -9.509 8.103 -17.267 72 1HZ LYS 14 1HZ LYS 14 -7.830 6.630 -15.420 73 2HZ LYS 14 2HZ LYS 14 -9.365 7.037 -14.815 74 3HZ LYS 14 3HZ LYS 14 -8.320 8.253 -15.378 75 H ALA 15 H ALA 15 -13.164 2.540 -18.525 76 HA ALA 15 HA ALA 15 -14.874 4.390 -17.010 77 1HB ALA 15 1HB ALA 15 -15.245 3.554 -19.380 78 2HB ALA 15 2HB ALA 15 -16.633 3.329 -18.314 79 3HB ALA 15 3HB ALA 15 -15.585 1.963 -18.697 80 H LYS 16 H LYS 16 -13.741 1.109 -16.833 81 HA LYS 16 HA LYS 16 -15.566 0.403 -14.595 82 1HB LYS 16 2HB LYS 16 -13.325 -1.401 -15.275 83 2HB LYS 16 1HB LYS 16 -15.049 -1.756 -15.189 84 1HG LYS 16 2HG LYS 16 -15.164 -0.353 -17.395 85 2HG LYS 16 1HG LYS 16 -13.442 -0.709 -17.494 86 1HD LYS 16 2HD LYS 16 -15.134 -3.040 -16.836 87 2HD LYS 16 1HD LYS 16 -15.408 -2.369 -18.445 88 1HE LYS 16 2HE LYS 16 -13.594 -4.150 -18.344 89 2HE LYS 16 1HE LYS 16 -13.046 -2.595 -19.001 90 1HZ LYS 16 1HZ LYS 16 -11.638 -3.587 -17.161 91 2HZ LYS 16 2HZ LYS 16 -12.919 -3.217 -16.109 92 3HZ LYS 16 3HZ LYS 16 -12.123 -1.976 -16.952 93 H TYR 17 H TYR 17 -12.228 1.164 -15.366 94 HA TYR 17 HA TYR 17 -11.079 0.677 -12.773 95 1HB TYR 17 2HB TYR 17 -10.384 2.582 -15.042 96 2HB TYR 17 1HB TYR 17 -9.315 2.226 -13.689 97 HD1 TYR 17 HD1 TYR 17 -11.241 -0.665 -14.501 98 HD2 TYR 17 HD2 TYR 17 -7.814 1.606 -15.758 99 HE1 TYR 17 HE1 TYR 17 -10.375 -2.640 -15.713 100 HE2 TYR 17 HE2 TYR 17 -6.940 -0.376 -16.964 101 HH TYR 17 HH TYR 17 -7.523 -2.431 -17.778 102 H ASP 18 H ASP 18 -12.917 3.250 -14.273 103 HA ASP 18 HA ASP 18 -12.400 5.205 -12.125 104 1HB ASP 18 2HB ASP 18 -13.913 4.991 -14.681 105 2HB ASP 18 1HB ASP 18 -14.546 6.141 -13.503 106 H ALA 19 H ALA 19 -14.708 2.657 -12.790 107 HA ALA 19 HA ALA 19 -16.703 3.631 -10.864 108 1HB ALA 19 1HB ALA 19 -17.883 1.681 -11.538 109 2HB ALA 19 2HB ALA 19 -16.397 0.830 -11.960 110 3HB ALA 19 3HB ALA 19 -16.983 2.142 -12.982 111 H ILE 20 H ILE 20 -13.941 1.468 -10.945 112 HA ILE 20 HA ILE 20 -14.421 0.328 -8.298 113 HB ILE 20 HB ILE 20 -12.162 0.358 -10.317 114 1HG1 ILE 20 2HG1 ILE 20 -13.798 -2.001 -9.398 115 2HG1 ILE 20 1HG1 ILE 20 -14.386 -0.928 -10.670 116 1HG2 ILE 20 1HG2 ILE 20 -10.939 -1.160 -8.964 117 2HG2 ILE 20 2HG2 ILE 20 -12.298 -1.394 -7.866 118 3HG2 ILE 20 3HG2 ILE 20 -11.429 0.140 -7.878 119 1HD1 ILE 20 1HD1 ILE 20 -12.339 -1.330 -11.977 120 2HD1 ILE 20 2HD1 ILE 20 -13.154 -2.854 -11.618 121 3HD1 ILE 20 3HD1 ILE 20 -11.725 -2.381 -10.698 122 H PHE 21 H PHE 21 -12.707 2.998 -9.762 123 HA PHE 21 HA PHE 21 -11.046 3.643 -7.465 124 1HB PHE 21 2HB PHE 21 -10.139 4.502 -9.398 125 2HB PHE 21 1HB PHE 21 -11.712 4.670 -10.170 126 HD1 PHE 21 HD1 PHE 21 -9.057 6.377 -8.446 127 HD2 PHE 21 HD2 PHE 21 -13.247 6.564 -9.372 128 HE1 PHE 21 HE1 PHE 21 -9.064 8.803 -7.927 129 HE2 PHE 21 HE2 PHE 21 -13.256 8.986 -8.851 130 HZ PHE 21 HZ PHE 21 -11.166 10.106 -8.128 131 H ASP 22 H ASP 22 -14.174 4.632 -8.731 132 HA ASP 22 HA ASP 22 -14.585 6.658 -6.629 133 1HB ASP 22 2HB ASP 22 -15.304 7.100 -8.907 134 2HB ASP 22 1HB ASP 22 -16.226 5.595 -8.952 135 H SER 23 H SER 23 -14.864 3.326 -6.830 136 HA SER 23 HA SER 23 -17.361 3.063 -5.269 137 1HB SER 23 2HB SER 23 -15.396 1.342 -6.694 138 2HB SER 23 1HB SER 23 -16.205 0.603 -5.315 139 HG SER 23 HG SER 23 -18.162 1.645 -6.422 140 H LEU 24 H LEU 24 -14.143 3.788 -4.663 141 HA LEU 24 HA LEU 24 -14.122 2.555 -1.938 142 1HB LEU 24 2HB LEU 24 -11.831 3.999 -3.247 143 2HB LEU 24 1HB LEU 24 -11.782 2.631 -2.136 144 HG LEU 24 HG LEU 24 -12.920 2.418 -4.928 145 1HD1 LEU 24 1HD1 LEU 24 -10.415 1.127 -4.781 146 2HD1 LEU 24 2HD1 LEU 24 -10.173 2.736 -4.112 147 3HD1 LEU 24 3HD1 LEU 24 -10.827 2.544 -5.739 148 1HD2 LEU 24 1HD2 LEU 24 -11.796 0.370 -2.993 149 2HD2 LEU 24 2HD2 LEU 24 -12.531 0.025 -4.558 150 3HD2 LEU 24 3HD2 LEU 24 -13.515 0.674 -3.245 151 H SER 25 H SER 25 -14.618 5.441 -3.642 152 HA SER 25 HA SER 25 -15.365 7.534 -2.735 153 1HB SER 25 2HB SER 25 -15.467 7.817 -0.440 154 2HB SER 25 1HB SER 25 -15.334 6.063 -0.506 155 HG SER 25 HG SER 25 -13.769 6.705 0.881 156 HA PRO 26 HA PRO 26 -11.200 8.811 -3.995 157 1HB PRO 26 2HB PRO 26 -12.096 10.712 -5.735 158 2HB PRO 26 1HB PRO 26 -11.977 8.994 -6.163 159 1HG PRO 26 2HG PRO 26 -14.359 10.588 -5.381 160 2HG PRO 26 1HG PRO 26 -14.206 9.306 -6.592 161 1HD PRO 26 2HD PRO 26 -15.290 8.932 -4.110 162 2HD PRO 26 1HD PRO 26 -14.511 7.643 -5.054 163 H VAL 27 H VAL 27 -10.051 10.697 -3.429 164 HA VAL 27 HA VAL 27 -11.593 12.776 -1.918 165 HB VAL 27 HB VAL 27 -8.909 11.470 -1.375 166 1HG1 VAL 27 1HG1 VAL 27 -10.296 13.774 0.029 167 2HG1 VAL 27 2HG1 VAL 27 -8.762 13.846 -0.838 168 3HG1 VAL 27 3HG1 VAL 27 -8.887 12.923 0.660 169 1HG2 VAL 27 1HG2 VAL 27 -11.602 11.457 0.010 170 2HG2 VAL 27 2HG2 VAL 27 -10.123 10.921 0.806 171 3HG2 VAL 27 3HG2 VAL 27 -10.711 10.075 -0.626 172 H ASN 28 H ASN 28 -11.523 14.562 -3.253 173 HA ASN 28 HA ASN 28 -10.608 16.266 -4.612 174 1HB ASN 28 2HB ASN 28 -9.172 16.719 -2.774 175 2HB ASN 28 1HB ASN 28 -8.268 15.225 -3.004 176 1HD2 ASN 28 1HD2 ASN 28 -6.211 15.741 -3.745 177 2HD2 ASN 28 2HD2 ASN 28 -5.862 16.917 -4.918 178 H GLY 29 H GLY 29 -10.491 13.183 -5.314 179 1HA GLY 29 2HA GLY 29 -10.190 12.339 -7.558 180 2HA GLY 29 1HA GLY 29 -8.995 13.604 -7.842 181 H PHE 30 H PHE 30 -9.073 11.508 -4.988 182 HA PHE 30 HA PHE 30 -6.770 9.947 -6.029 183 1HB PHE 30 2HB PHE 30 -6.755 11.887 -3.718 184 2HB PHE 30 1HB PHE 30 -5.523 10.626 -3.897 185 HD1 PHE 30 HD1 PHE 30 -6.788 13.803 -5.137 186 HD2 PHE 30 HD2 PHE 30 -4.109 10.549 -5.935 187 HE1 PHE 30 HE1 PHE 30 -5.629 15.183 -6.824 188 HE2 PHE 30 HE2 PHE 30 -2.933 11.935 -7.631 189 HZ PHE 30 HZ PHE 30 -3.694 14.256 -8.077 190 H LEU 31 H LEU 31 -6.544 7.969 -5.069 191 HA LEU 31 HA LEU 31 -8.501 7.273 -2.901 192 1HB LEU 31 2HB LEU 31 -7.177 5.729 -5.136 193 2HB LEU 31 1HB LEU 31 -7.882 4.899 -3.748 194 HG LEU 31 HG LEU 31 -9.288 6.651 -5.763 195 1HD1 LEU 31 1HD1 LEU 31 -9.429 4.544 -6.633 196 2HD1 LEU 31 2HD1 LEU 31 -10.706 4.356 -5.427 197 3HD1 LEU 31 3HD1 LEU 31 -9.069 3.785 -5.078 198 1HD2 LEU 31 1HD2 LEU 31 -10.208 7.296 -3.625 199 2HD2 LEU 31 2HD2 LEU 31 -10.227 5.622 -3.069 200 3HD2 LEU 31 3HD2 LEU 31 -11.335 6.142 -4.342 201 H SER 32 H SER 32 -7.592 6.623 -0.977 202 HA SER 32 HA SER 32 -4.701 6.856 -0.669 203 1HB SER 32 2HB SER 32 -6.635 5.756 1.358 204 2HB SER 32 1HB SER 32 -5.192 6.726 1.636 205 HG SER 32 HG SER 32 -6.349 8.453 1.369 206 H GLY 33 H GLY 33 -3.231 5.191 -0.371 207 1HA GLY 33 2HA GLY 33 -3.531 2.722 -1.594 208 2HA GLY 33 1HA GLY 33 -2.462 2.957 -0.206 209 H ASP 34 H ASP 34 -4.800 3.761 1.480 210 HA ASP 34 HA ASP 34 -5.425 1.192 2.608 211 1HB ASP 34 2HB ASP 34 -6.587 3.977 2.920 212 2HB ASP 34 1HB ASP 34 -6.995 2.623 3.975 213 H LYS 35 H LYS 35 -6.962 3.134 0.106 214 HA LYS 35 HA LYS 35 -9.445 1.503 0.254 215 1HB LYS 35 2HB LYS 35 -8.526 3.952 -1.284 216 2HB LYS 35 1HB LYS 35 -10.075 3.165 -1.591 217 1HG LYS 35 2HG LYS 35 -10.906 3.682 0.549 218 2HG LYS 35 1HG LYS 35 -9.294 3.974 1.205 219 1HD LYS 35 2HD LYS 35 -9.079 6.033 0.010 220 2HD LYS 35 1HD LYS 35 -10.501 5.689 -0.974 221 1HE LYS 35 2HE LYS 35 -11.150 7.284 0.752 222 2HE LYS 35 1HE LYS 35 -11.870 5.717 1.172 223 1HZ LYS 35 1HZ LYS 35 -9.893 5.248 2.524 224 2HZ LYS 35 2HZ LYS 35 -10.731 6.615 3.084 225 3HZ LYS 35 3HZ LYS 35 -9.297 6.800 2.192 226 H VAL 36 H VAL 36 -6.584 2.158 -1.670 227 HA VAL 36 HA VAL 36 -7.361 0.452 -3.915 228 HB VAL 36 HB A VAL 36 -4.745 1.645 -2.966 229 2HG1 VAL 36 2HG1 VAL 36 -5.029 0.994 -5.803 230 3HG1 VAL 36 3HG1 VAL 36 -5.117 -0.425 -4.761 231 1HG2 VAL 36 1HG2 VAL 36 -6.507 2.514 -5.267 232 2HG2 VAL 36 2HG2 VAL 36 -5.178 3.403 -4.523 233 3HG2 VAL 36 3HG2 VAL 36 -6.689 3.176 -3.641 234 H LYS 37 H LYS 37 -5.320 0.172 -1.027 235 HA LYS 37 HA LYS 37 -3.946 -2.170 -1.402 236 1HB LYS 37 2HB LYS 37 -5.247 -0.784 0.865 237 2HB LYS 37 1HB LYS 37 -4.823 -2.470 1.166 238 1HG LYS 37 2HG LYS 37 -2.591 -1.444 -0.152 239 2HG LYS 37 1HG LYS 37 -3.078 -0.144 0.935 240 1HD LYS 37 2HD LYS 37 -3.034 -2.931 2.016 241 2HD LYS 37 1HD LYS 37 -1.490 -2.113 1.770 242 1HE LYS 37 2HE LYS 37 -1.813 -0.897 3.653 243 2HE LYS 37 1HE LYS 37 -3.361 -0.295 3.025 244 1HZ LYS 37 1HZ LYS 37 -3.730 -1.607 5.012 245 2HZ LYS 37 2HZ LYS 37 -2.906 -2.928 4.332 246 3HZ LYS 37 3HZ LYS 37 -4.380 -2.408 3.666 247 HA PRO 38 HA PRO 38 -7.724 -4.866 -0.154 248 1HB PRO 38 2HB PRO 38 -10.178 -3.643 -0.198 249 2HB PRO 38 1HB PRO 38 -9.169 -3.743 1.260 250 1HG PRO 38 2HG PRO 38 -9.518 -1.482 -0.653 251 2HG PRO 38 1HG PRO 38 -9.414 -1.456 1.116 252 1HD PRO 38 2HD PRO 38 -7.330 -0.799 -0.462 253 2HD PRO 38 1HD PRO 38 -7.115 -1.586 1.118 254 H VAL 39 H VAL 39 -8.193 -2.272 -2.481 255 HA VAL 39 HA VAL 39 -9.870 -3.649 -4.355 256 HB VAL 39 HB VAL 39 -8.018 -1.301 -4.260 257 1HG1 VAL 39 1HG1 VAL 39 -7.560 -2.462 -6.463 258 2HG1 VAL 39 2HG1 VAL 39 -8.219 -0.835 -6.614 259 3HG1 VAL 39 3HG1 VAL 39 -9.264 -2.235 -6.860 260 1HG2 VAL 39 1HG2 VAL 39 -10.435 -0.683 -5.517 261 2HG2 VAL 39 2HG2 VAL 39 -10.041 -0.417 -3.818 262 3HG2 VAL 39 3HG2 VAL 39 -10.865 -1.896 -4.312 263 H LEU 40 H LEU 40 -6.402 -3.617 -3.768 264 HA LEU 40 HA LEU 40 -5.848 -5.230 -6.193 265 1HB LEU 40 2HB LEU 40 -4.051 -4.190 -3.984 266 2HB LEU 40 1HB LEU 40 -3.547 -4.735 -5.587 267 HG LEU 40 HG LEU 40 -5.513 -2.479 -5.190 268 1HD1 LEU 40 1HD1 LEU 40 -3.697 -1.501 -4.213 269 2HD1 LEU 40 2HD1 LEU 40 -3.316 -1.174 -5.907 270 3HD1 LEU 40 3HD1 LEU 40 -2.537 -2.519 -5.068 271 1HD2 LEU 40 1HD2 LEU 40 -5.469 -3.608 -7.376 272 2HD2 LEU 40 2HD2 LEU 40 -3.729 -3.325 -7.484 273 3HD2 LEU 40 3HD2 LEU 40 -4.848 -1.961 -7.499 274 H LEU 41 H LEU 41 -5.877 -5.499 -2.668 275 HA LEU 41 HA LEU 41 -4.685 -8.116 -2.512 276 1HB LEU 41 2HB LEU 41 -6.564 -6.513 -0.749 277 2HB LEU 41 1HB LEU 41 -5.815 -8.027 -0.245 278 HG LEU 41 HG LEU 41 -4.133 -5.766 -1.301 279 1HD1 LEU 41 1HD1 LEU 41 -5.694 -5.089 0.656 280 2HD1 LEU 41 2HD1 LEU 41 -3.965 -4.789 0.846 281 3HD1 LEU 41 3HD1 LEU 41 -4.710 -6.181 1.631 282 1HD2 LEU 41 1HD2 LEU 41 -2.519 -7.278 -0.869 283 2HD2 LEU 41 2HD2 LEU 41 -3.732 -8.416 -0.279 284 3HD2 LEU 41 3HD2 LEU 41 -2.984 -7.268 0.833 285 H ASN 42 H ASN 42 -7.713 -6.922 -3.590 286 HA ASN 42 HA ASN 42 -9.160 -9.418 -3.013 287 1HB ASN 42 2HB ASN 42 -10.342 -7.332 -2.743 288 2HB ASN 42 1HB ASN 42 -9.851 -6.789 -4.349 289 1HD2 ASN 42 1HD2 ASN 42 -12.187 -6.582 -4.922 290 2HD2 ASN 42 2HD2 ASN 42 -13.090 -7.969 -5.297 291 H SER 43 H SER 43 -7.043 -8.324 -5.364 292 HA SER 43 HA SER 43 -8.329 -9.532 -7.716 293 1HB SER 43 2HB SER 43 -5.494 -8.560 -7.332 294 2HB SER 43 1HB SER 43 -6.408 -8.643 -8.836 295 HG SER 43 HG SER 43 -6.798 -6.941 -6.605 296 H LYS 44 H LYS 44 -7.351 -11.102 -5.168 297 HA LYS 44 HA LYS 44 -6.449 -13.252 -4.792 298 1HB LYS 44 2HB LYS 44 -7.926 -13.492 -6.911 299 2HB LYS 44 1HB LYS 44 -6.404 -13.493 -7.803 300 1HG LYS 44 2HG LYS 44 -6.806 -15.782 -7.401 301 2HG LYS 44 1HG LYS 44 -5.667 -15.334 -6.131 302 1HD LYS 44 2HD LYS 44 -7.463 -15.097 -4.521 303 2HD LYS 44 1HD LYS 44 -8.676 -15.350 -5.776 304 1HE LYS 44 2HE LYS 44 -7.914 -17.645 -6.122 305 2HE LYS 44 1HE LYS 44 -6.586 -17.405 -4.968 306 1HZ LYS 44 1HZ LYS 44 -8.093 -17.065 -3.210 307 2HZ LYS 44 2HZ LYS 44 -8.683 -18.430 -4.035 308 3HZ LYS 44 3HZ LYS 44 -9.421 -16.916 -4.256 309 H LEU 45 H LEU 45 -4.761 -10.757 -5.843 310 HA LEU 45 HA LEU 45 -2.304 -12.227 -6.676 311 1HB LEU 45 2HB LEU 45 -3.381 -9.432 -6.809 312 2HB LEU 45 1HB LEU 45 -1.632 -9.652 -6.839 313 HG LEU 45 HG LEU 45 -3.619 -10.940 -8.736 314 1HD1 LEU 45 1HD1 LEU 45 -2.515 -8.364 -8.715 315 2HD1 LEU 45 2HD1 LEU 45 -3.277 -9.164 -10.088 316 3HD1 LEU 45 3HD1 LEU 45 -1.530 -9.262 -9.869 317 1HD2 LEU 45 1HD2 LEU 45 -0.775 -10.989 -9.438 318 2HD2 LEU 45 2HD2 LEU 45 -1.947 -12.305 -9.442 319 3HD2 LEU 45 3HD2 LEU 45 -1.105 -11.878 -7.953 320 HA PRO 46 HA PRO 46 -0.596 -11.669 -2.665 321 1HB PRO 46 2HB PRO 46 2.063 -11.836 -3.290 322 2HB PRO 46 1HB PRO 46 0.984 -13.243 -3.277 323 1HG PRO 46 2HG PRO 46 2.054 -11.708 -5.560 324 2HG PRO 46 1HG PRO 46 1.656 -13.426 -5.436 325 1HD PRO 46 2HD PRO 46 0.086 -11.501 -6.664 326 2HD PRO 46 1HD PRO 46 -0.477 -13.095 -6.125 327 H VAL 47 H VAL 47 1.040 -10.145 -1.546 328 HA VAL 47 HA VAL 47 0.542 -7.428 -2.351 329 HB VAL 47 HB VAL 47 2.091 -8.899 -0.237 330 1HG1 VAL 47 1HG1 VAL 47 2.846 -6.762 0.712 331 2HG1 VAL 47 2HG1 VAL 47 2.158 -5.899 -0.665 332 3HG1 VAL 47 3HG1 VAL 47 3.524 -6.991 -0.902 333 1HG2 VAL 47 1HG2 VAL 47 0.482 -6.886 0.848 334 2HG2 VAL 47 2HG2 VAL 47 0.080 -8.600 0.742 335 3HG2 VAL 47 3HG2 VAL 47 -0.443 -7.493 -0.527 336 H ASP 48 H ASP 48 2.726 -9.709 -3.508 337 HA ASP 48 HA ASP 48 5.012 -7.947 -3.890 338 1HB ASP 48 2HB ASP 48 4.146 -10.676 -4.849 339 2HB ASP 48 1HB ASP 48 5.632 -9.927 -5.434 340 H ILE 49 H ILE 49 2.184 -8.989 -5.707 341 HA ILE 49 HA ILE 49 3.012 -7.702 -8.200 342 HB ILE 49 HB ILE 49 0.217 -8.489 -7.352 343 1HG1 ILE 49 2HG1 ILE 49 1.626 -10.372 -6.752 344 2HG1 ILE 49 1HG1 ILE 49 0.772 -10.765 -8.243 345 1HG2 ILE 49 1HG2 ILE 49 0.125 -7.531 -9.472 346 2HG2 ILE 49 2HG2 ILE 49 0.347 -9.234 -9.870 347 3HG2 ILE 49 3HG2 ILE 49 1.720 -8.129 -9.922 348 1HD1 ILE 49 1HD1 ILE 49 3.222 -11.326 -8.288 349 2HD1 ILE 49 2HD1 ILE 49 3.556 -9.596 -8.171 350 3HD1 ILE 49 3HD1 ILE 49 2.699 -10.239 -9.577 351 H LEU 50 H LEU 50 0.793 -7.076 -5.536 352 HA LEU 50 HA LEU 50 -0.259 -4.602 -6.551 353 1HB LEU 50 2HB LEU 50 0.012 -5.502 -3.675 354 2HB LEU 50 1HB LEU 50 -1.240 -4.475 -4.373 355 HG LEU 50 HG LEU 50 -0.817 -7.431 -4.836 356 1HD1 LEU 50 1HD1 LEU 50 -3.104 -5.771 -3.754 357 2HD1 LEU 50 2HD1 LEU 50 -2.112 -6.920 -2.857 358 3HD1 LEU 50 3HD1 LEU 50 -3.215 -7.495 -4.108 359 1HD2 LEU 50 1HD2 LEU 50 -3.107 -6.668 -6.212 360 2HD2 LEU 50 2HD2 LEU 50 -1.553 -7.072 -6.944 361 3HD2 LEU 50 3HD2 LEU 50 -1.953 -5.389 -6.596 362 H GLY 51 H GLY 51 2.625 -5.476 -4.676 363 1HA GLY 51 2HA GLY 51 3.219 -2.784 -3.813 364 2HA GLY 51 1HA GLY 51 4.386 -4.109 -3.911 365 H ARG 52 H ARG 52 3.556 -4.546 -6.766 366 HA ARG 52 HA ARG 52 5.300 -2.444 -7.944 367 1HB ARG 52 2HB ARG 52 4.996 -5.258 -8.168 368 2HB ARG 52 1HB ARG 52 4.554 -4.558 -9.727 369 1HG ARG 52 2HG ARG 52 6.673 -3.187 -9.596 370 2HG ARG 52 1HG ARG 52 7.133 -4.167 -8.203 371 1HD ARG 52 2HD ARG 52 6.329 -5.473 -10.801 372 2HD ARG 52 1HD ARG 52 7.994 -4.932 -10.525 373 HE ARG 52 HE ARG 52 6.670 -7.151 -9.144 374 1HH1 ARG 52 1HH2 ARG 52 9.627 -5.970 -9.937 375 2HH1 ARG 52 2HH2 ARG 52 10.387 -6.256 -8.408 376 1HH2 ARG 52 2HH1 ARG 52 7.424 -6.985 -6.768 377 2HH2 ARG 52 1HH1 ARG 52 9.142 -6.830 -6.616 378 H VAL 53 H VAL 53 2.053 -3.869 -8.174 379 HA VAL 53 HA VAL 53 1.316 -2.496 -10.615 380 HB VAL 53 HB VAL 53 -0.148 -3.805 -8.317 381 1HG1 VAL 53 1HG1 VAL 53 -1.289 -1.790 -9.839 382 2HG1 VAL 53 2HG1 VAL 53 -2.177 -3.081 -9.036 383 3HG1 VAL 53 3HG1 VAL 53 -1.726 -3.243 -10.732 384 1HG2 VAL 53 1HG2 VAL 53 1.185 -4.952 -10.314 385 2HG2 VAL 53 2HG2 VAL 53 -0.300 -4.610 -11.207 386 3HG2 VAL 53 3HG2 VAL 53 -0.350 -5.618 -9.757 387 H TRP 54 H TRP 54 1.134 -1.706 -7.158 388 HA TRP 54 HA TRP 54 -0.401 0.721 -7.506 389 1HB TRP 54 2HB TRP 54 -0.368 -0.179 -5.325 390 2HB TRP 54 1HB TRP 54 1.373 -0.467 -5.373 391 HD1 TRP 54 HD1 TRP 54 2.961 1.771 -5.356 392 HE1 TRP 54 HE1 TRP 54 2.595 4.040 -4.234 393 HE3 TRP 54 HE3 TRP 54 -2.067 1.503 -4.462 394 HZ2 TRP 54 HZ2 TRP 54 0.451 5.554 -3.059 395 HZ3 TRP 54 HZ3 TRP 54 -3.244 3.377 -3.317 396 HH2 TRP 54 HH2 TRP 54 -1.987 5.390 -2.625 397 H GLU 55 H GLU 55 3.109 0.130 -6.966 398 HA GLU 55 HA GLU 55 4.018 2.773 -7.116 399 1HB GLU 55 2HB GLU 55 5.218 0.186 -8.130 400 2HB GLU 55 1HB GLU 55 6.128 1.686 -7.943 401 1HG GLU 55 2HG GLU 55 5.500 1.738 -5.540 402 2HG GLU 55 1HG GLU 55 4.682 0.189 -5.744 403 H LEU 56 H LEU 56 3.862 0.507 -9.885 404 HA LEU 56 HA LEU 56 4.409 2.483 -11.887 405 1HB LEU 56 2HB LEU 56 2.814 -0.105 -12.005 406 2HB LEU 56 1HB LEU 56 3.499 0.732 -13.398 407 HG LEU 56 HG LEU 56 5.422 0.184 -11.219 408 1HD1 LEU 56 1HD1 LEU 56 3.652 -1.888 -11.968 409 2HD1 LEU 56 2HD1 LEU 56 5.150 -2.044 -11.051 410 3HD1 LEU 56 3HD1 LEU 56 5.169 -2.215 -12.807 411 1HD2 LEU 56 1HD2 LEU 56 6.012 -0.856 -13.878 412 2HD2 LEU 56 2HD2 LEU 56 6.857 0.395 -12.965 413 3HD2 LEU 56 3HD2 LEU 56 5.457 0.813 -13.950 414 H SER 57 H SER 57 1.670 1.938 -9.908 415 HA SER 57 HA SER 57 -0.225 3.322 -11.742 416 1HB SER 57 2HB SER 57 -1.052 1.353 -10.642 417 2HB SER 57 1HB SER 57 -0.413 1.877 -9.087 418 HG SER 57 HG SER 57 -2.527 3.025 -10.593 419 H ASP 58 H ASP 58 1.753 3.808 -8.920 420 HA ASP 58 HA ASP 58 0.415 6.350 -8.168 421 1HB ASP 58 2HB ASP 58 1.285 4.430 -6.633 422 2HB ASP 58 1HB ASP 58 2.879 5.121 -6.939 423 H ILE 59 H ILE 59 1.061 7.670 -10.002 424 HA ILE 59 HA ILE 59 3.957 7.968 -10.548 425 HB ILE 59 HB ILE 59 1.364 8.936 -11.740 426 1HG1 ILE 59 2HG1 ILE 59 3.614 7.576 -13.188 427 2HG1 ILE 59 1HG1 ILE 59 2.598 6.619 -12.112 428 1HG2 ILE 59 1HG2 ILE 59 3.027 9.900 -13.538 429 2HG2 ILE 59 2HG2 ILE 59 4.159 9.954 -12.187 430 3HG2 ILE 59 3HG2 ILE 59 2.647 10.859 -12.108 431 1HD1 ILE 59 1HD1 ILE 59 2.004 7.633 -14.765 432 2HD1 ILE 59 2HD1 ILE 59 0.804 8.186 -13.597 433 3HD1 ILE 59 3HD1 ILE 59 1.111 6.458 -13.796 434 H ASP 60 H ASP 60 1.502 9.444 -8.635 435 HA ASP 60 HA ASP 60 2.828 12.087 -8.550 436 1HB ASP 60 2HB ASP 60 0.563 11.024 -6.842 437 2HB ASP 60 1HB ASP 60 0.905 12.703 -7.263 438 H HIS 61 H HIS 61 2.911 9.060 -6.902 439 HA HIS 61 HA HIS 61 4.113 8.346 -4.996 440 1HB HIS 61 2HB HIS 61 5.476 10.941 -5.754 441 2HB HIS 61 1HB HIS 61 6.086 9.888 -4.480 442 HD1 HIS 61 HD1 HIS 61 8.101 8.832 -5.560 443 HD2 HIS 61 HD2 HIS 61 4.739 8.673 -8.021 444 HE1 HIS 61 HE1 HIS 61 8.744 7.419 -7.561 445 H ASP 62 H ASP 62 1.660 9.563 -4.418 446 HA ASP 62 HA ASP 62 2.289 11.195 -1.978 447 1HB ASP 62 2HB ASP 62 -0.114 12.020 -2.405 448 2HB ASP 62 1HB ASP 62 1.106 12.534 -3.571 449 H GLY 63 H GLY 63 1.800 8.149 -2.656 450 1HA GLY 63 2HA GLY 63 0.916 6.345 -1.443 451 2HA GLY 63 1HA GLY 63 0.530 7.493 -0.159 452 H MET 64 H MET 64 -0.646 7.774 -3.486 453 HA MET 64 HA MET 64 -3.313 6.760 -2.692 454 1HB MET 64 2HB MET 64 -2.754 9.617 -3.545 455 2HB MET 64 1HB MET 64 -4.360 8.922 -3.349 456 1HG MET 64 2HG MET 64 -3.692 8.368 -0.964 457 2HG MET 64 1HG MET 64 -2.280 9.389 -1.215 458 1HE MET 64 1HE MET 64 -6.287 10.334 0.119 459 2HE MET 64 2HE MET 64 -5.571 8.803 -0.381 460 3HE MET 64 3HE MET 64 -6.491 9.758 -1.541 461 H LEU 65 H LEU 65 -4.770 6.602 -4.591 462 HA LEU 65 HA LEU 65 -3.273 6.558 -7.195 463 1HB LEU 65 2HB LEU 65 -5.241 4.703 -5.871 464 2HB LEU 65 1HB LEU 65 -5.123 4.732 -7.630 465 HG LEU 65 HG LEU 65 -2.902 4.125 -5.661 466 1HD1 LEU 65 1HD1 LEU 65 -3.367 2.280 -7.864 467 2HD1 LEU 65 2HD1 LEU 65 -4.823 2.502 -6.892 468 3HD1 LEU 65 3HD1 LEU 65 -3.327 1.958 -6.130 469 1HD2 LEU 65 1HD2 LEU 65 -2.864 4.689 -8.629 470 2HD2 LEU 65 2HD2 LEU 65 -1.618 3.704 -7.864 471 3HD2 LEU 65 3HD2 LEU 65 -1.839 5.383 -7.373 472 H ASP 66 H ASP 66 -4.025 8.457 -8.190 473 HA ASP 66 HA ASP 66 -6.715 9.462 -7.814 474 1HB ASP 66 2HB ASP 66 -5.946 11.232 -9.119 475 2HB ASP 66 1HB ASP 66 -4.422 10.578 -8.524 476 H ARG 67 H ARG 67 -8.278 9.715 -9.633 477 HA ARG 67 HA ARG 67 -9.276 7.392 -10.711 478 1HB ARG 67 2HB ARG 67 -10.195 8.933 -12.522 479 2HB ARG 67 1HB ARG 67 -10.469 9.459 -10.862 480 1HG ARG 67 2HG ARG 67 -7.993 10.557 -11.468 481 2HG ARG 67 1HG ARG 67 -8.889 10.725 -12.977 482 1HD ARG 67 2HD ARG 67 -10.235 11.467 -10.391 483 2HD ARG 67 1HD ARG 67 -9.112 12.610 -11.155 484 HE ARG 67 HE ARG 67 -11.063 11.421 -12.998 485 1HH1 ARG 67 1HH2 ARG 67 -11.966 13.219 -10.483 486 2HH1 ARG 67 2HH2 ARG 67 -12.319 14.682 -11.341 487 1HH2 ARG 67 2HH1 ARG 67 -10.790 13.639 -14.276 488 2HH2 ARG 67 1HH1 ARG 67 -11.653 14.919 -13.492 489 H ASP 68 H ASP 68 -6.735 9.397 -12.196 490 HA ASP 68 HA ASP 68 -6.561 7.689 -14.563 491 1HB ASP 68 2HB ASP 68 -5.430 10.186 -13.505 492 2HB ASP 68 1HB ASP 68 -4.276 9.244 -14.449 493 H GLU 69 H GLU 69 -4.845 7.961 -11.483 494 HA GLU 69 HA GLU 69 -2.707 6.130 -12.285 495 1HB GLU 69 2HB GLU 69 -3.662 7.500 -9.786 496 2HB GLU 69 1HB GLU 69 -2.481 6.193 -9.656 497 1HG GLU 69 2HG GLU 69 -0.924 7.330 -11.057 498 2HG GLU 69 1HG GLU 69 -2.134 8.510 -11.557 499 H PHE 70 H PHE 70 -5.746 5.931 -10.463 500 HA PHE 70 HA PHE 70 -5.519 3.203 -9.619 501 1HB PHE 70 2HB PHE 70 -7.158 5.086 -8.951 502 2HB PHE 70 1HB PHE 70 -8.050 4.668 -10.414 503 HD1 PHE 70 HD1 PHE 70 -7.317 3.751 -6.989 504 HD2 PHE 70 HD2 PHE 70 -8.899 2.305 -10.710 505 HE1 PHE 70 HE1 PHE 70 -8.396 1.864 -5.797 506 HE2 PHE 70 HE2 PHE 70 -9.978 0.418 -9.518 507 HZ PHE 70 HZ PHE 70 -9.724 0.197 -7.062 508 H ALA 71 H ALA 71 -6.051 4.675 -12.706 509 HA ALA 71 HA ALA 71 -7.438 2.407 -13.942 510 1HB ALA 71 1HB ALA 71 -7.525 4.842 -14.628 511 2HB ALA 71 2HB ALA 71 -7.139 3.741 -15.950 512 3HB ALA 71 3HB ALA 71 -5.857 4.682 -15.183 513 H VAL 72 H VAL 72 -4.130 3.679 -13.921 514 HA VAL 72 HA VAL 72 -2.929 1.764 -15.662 515 HB VAL 72 HB VAL 72 -1.786 3.233 -13.260 516 1HG1 VAL 72 1HG1 VAL 72 -0.574 1.928 -15.698 517 2HG1 VAL 72 2HG1 VAL 72 -0.159 1.681 -14.002 518 3HG1 VAL 72 3HG1 VAL 72 0.280 3.188 -14.806 519 1HG2 VAL 72 1HG2 VAL 72 -1.197 4.988 -14.951 520 2HG2 VAL 72 2HG2 VAL 72 -2.940 4.803 -14.740 521 3HG2 VAL 72 3HG2 VAL 72 -2.146 4.104 -16.146 522 H ALA 73 H ALA 73 -3.756 1.684 -12.246 523 HA ALA 73 HA ALA 73 -2.292 -0.836 -11.777 524 1HB ALA 73 1HB ALA 73 -2.237 0.201 -9.775 525 2HB ALA 73 2HB ALA 73 -3.956 -0.167 -9.610 526 3HB ALA 73 3HB ALA 73 -3.444 1.375 -10.301 527 H MET 74 H MET 74 -5.269 -0.047 -13.129 528 HA MET 74 HA MET 74 -6.845 -2.204 -11.892 529 1HB MET 74 2HB MET 74 -7.162 0.012 -13.852 530 2HB MET 74 1HB MET 74 -8.210 -1.381 -14.101 531 1HG MET 74 2HG MET 74 -7.920 0.046 -11.449 532 2HG MET 74 1HG MET 74 -9.205 0.384 -12.610 533 1HE MET 74 1HE MET 74 -8.523 -2.987 -9.770 534 2HE MET 74 2HE MET 74 -9.110 -1.404 -9.269 535 3HE MET 74 3HE MET 74 -7.587 -1.533 -10.146 536 H PHE 75 H PHE 75 -5.446 -1.552 -15.112 537 HA PHE 75 HA PHE 75 -6.087 -4.238 -16.066 538 1HB PHE 75 2HB PHE 75 -5.216 -3.428 -18.094 539 2HB PHE 75 1HB PHE 75 -5.754 -1.942 -17.311 540 HD1 PHE 75 HD1 PHE 75 -2.923 -3.791 -18.603 541 HD2 PHE 75 HD2 PHE 75 -4.084 -0.551 -16.036 542 HE1 PHE 75 HE1 PHE 75 -0.612 -2.895 -18.689 543 HE2 PHE 75 HE2 PHE 75 -1.783 0.344 -16.122 544 HZ PHE 75 HZ PHE 75 -0.039 -0.827 -17.445 545 H LEU 76 H LEU 76 -3.524 -2.660 -14.365 546 HA LEU 76 HA LEU 76 -1.419 -4.593 -14.848 547 1HB LEU 76 2HB LEU 76 -2.007 -2.217 -13.206 548 2HB LEU 76 1HB LEU 76 -0.931 -3.372 -12.421 549 HG LEU 76 HG LEU 76 -0.545 -2.084 -15.138 550 1HD1 LEU 76 1HD1 LEU 76 0.494 -1.638 -12.403 551 2HD1 LEU 76 2HD1 LEU 76 0.374 -0.516 -13.758 552 3HD1 LEU 76 3HD1 LEU 76 1.717 -1.656 -13.672 553 1HD2 LEU 76 1HD2 LEU 76 0.689 -3.892 -15.678 554 2HD2 LEU 76 2HD2 LEU 76 0.396 -4.611 -14.095 555 3HD2 LEU 76 3HD2 LEU 76 1.758 -3.515 -14.327 556 H VAL 77 H VAL 77 -4.199 -4.376 -12.767 557 HA VAL 77 HA VAL 77 -3.290 -6.569 -11.001 558 HB VAL 77 HB VAL 77 -5.699 -4.722 -11.180 559 1HG1 VAL 77 1HG1 VAL 77 -5.966 -5.868 -8.751 560 2HG1 VAL 77 2HG1 VAL 77 -5.295 -7.242 -9.629 561 3HG1 VAL 77 3HG1 VAL 77 -6.793 -6.488 -10.180 562 1HG2 VAL 77 1HG2 VAL 77 -4.739 -3.608 -9.374 563 2HG2 VAL 77 2HG2 VAL 77 -3.304 -4.111 -10.265 564 3HG2 VAL 77 3HG2 VAL 77 -3.825 -5.022 -8.849 565 H TYR 78 H TYR 78 -5.926 -5.907 -13.319 566 HA TYR 78 HA TYR 78 -7.058 -8.545 -13.151 567 1HB TYR 78 2HB TYR 78 -7.310 -6.086 -14.781 568 2HB TYR 78 1HB TYR 78 -7.863 -7.571 -15.555 569 HD1 TYR 78 HD1 TYR 78 -9.068 -4.907 -13.820 570 HD2 TYR 78 HD2 TYR 78 -9.042 -9.196 -13.575 571 HE1 TYR 78 HE1 TYR 78 -11.138 -4.839 -12.458 572 HE2 TYR 78 HE2 TYR 78 -11.114 -9.129 -12.210 573 HH TYR 78 HH TYR 78 -12.828 -6.089 -11.613 574 H CYS 79 H CYS 79 -4.427 -7.181 -15.038 575 HA CYS 79 HA CYS 79 -4.363 -9.402 -16.959 576 1HB CYS 79 2HB CYS 79 -3.643 -6.972 -17.318 577 2HB CYS 79 1HB CYS 79 -2.236 -7.336 -16.320 578 HG CYS 79 HG CYS 79 -2.568 -9.324 -18.613 579 H ALA 80 H ALA 80 -3.302 -8.866 -13.748 580 HA ALA 80 HA ALA 80 -1.048 -10.773 -13.938 581 1HB ALA 80 1HB ALA 80 -0.783 -8.818 -12.529 582 2HB ALA 80 2HB ALA 80 -0.923 -10.214 -11.462 583 3HB ALA 80 3HB ALA 80 -2.308 -9.146 -11.705 584 H LEU 81 H LEU 81 -4.408 -10.820 -13.501 585 HA LEU 81 HA LEU 81 -4.465 -13.221 -11.777 586 1HB LEU 81 2HB LEU 81 -6.793 -11.995 -13.235 587 2HB LEU 81 1HB LEU 81 -6.776 -12.767 -11.652 588 HG LEU 81 HG LEU 81 -5.921 -10.000 -12.426 589 1HD1 LEU 81 1HD1 LEU 81 -7.879 -9.641 -11.371 590 2HD1 LEU 81 2HD1 LEU 81 -7.039 -10.059 -9.877 591 3HD1 LEU 81 3HD1 LEU 81 -7.932 -11.295 -10.763 592 1HD2 LEU 81 1HD2 LEU 81 -4.686 -11.768 -10.368 593 2HD2 LEU 81 2HD2 LEU 81 -5.035 -10.108 -9.883 594 3HD2 LEU 81 3HD2 LEU 81 -3.979 -10.422 -11.262 595 H GLU 82 H GLU 82 -5.296 -12.260 -15.083 596 HA GLU 82 HA GLU 82 -6.164 -14.870 -15.925 597 1HB GLU 82 2HB GLU 82 -6.886 -12.926 -17.109 598 2HB GLU 82 1HB GLU 82 -5.236 -12.334 -17.283 599 1HG GLU 82 2HG GLU 82 -5.207 -13.313 -19.310 600 2HG GLU 82 1HG GLU 82 -5.191 -14.865 -18.476 601 H LYS 83 H LYS 83 -3.180 -13.055 -16.660 602 HA LYS 83 HA LYS 83 -1.385 -15.204 -16.176 603 1HB LYS 83 2HB LYS 83 -3.048 -15.563 -18.425 604 2HB LYS 83 1HB LYS 83 -1.432 -15.225 -19.044 605 1HG LYS 83 2HG LYS 83 -0.734 -17.279 -18.457 606 2HG LYS 83 1HG LYS 83 -1.237 -17.000 -16.790 607 1HD LYS 83 2HD LYS 83 -2.900 -18.485 -17.087 608 2HD LYS 83 1HD LYS 83 -3.612 -17.394 -18.276 609 1HE LYS 83 2HE LYS 83 -3.295 -19.240 -19.643 610 2HE LYS 83 1HE LYS 83 -1.686 -18.512 -19.815 611 1HZ LYS 83 1HZ LYS 83 -1.291 -19.785 -17.574 612 2HZ LYS 83 2HZ LYS 83 -1.101 -20.574 -19.068 613 3HZ LYS 83 3HZ LYS 83 -2.527 -20.785 -18.165 614 H GLU 84 H GLU 84 -0.370 -13.052 -15.500 615 HA GLU 84 HA GLU 84 1.595 -12.247 -17.474 616 1HB GLU 84 2HB GLU 84 -0.951 -11.078 -17.652 617 2HB GLU 84 1HB GLU 84 0.060 -9.851 -16.885 618 1HG GLU 84 2HG GLU 84 1.391 -11.217 -19.117 619 2HG GLU 84 1HG GLU 84 -0.058 -10.337 -19.602 620 HA PRO 85 HA PRO 85 3.157 -11.248 -13.399 621 1HB PRO 85 2HB PRO 85 5.760 -10.925 -14.182 622 2HB PRO 85 1HB PRO 85 5.027 -12.519 -13.914 623 1HG PRO 85 2HG PRO 85 5.555 -11.084 -16.463 624 2HG PRO 85 1HG PRO 85 5.675 -12.811 -16.091 625 1HD PRO 85 2HD PRO 85 3.578 -11.682 -17.445 626 2HD PRO 85 1HD PRO 85 3.459 -13.186 -16.503 627 H VAL 86 H VAL 86 4.071 -9.236 -12.481 628 HA VAL 86 HA VAL 86 3.806 -6.921 -14.369 629 HB VAL 86 HB VAL 86 3.258 -7.201 -11.399 630 1HG1 VAL 86 1HG1 VAL 86 2.154 -4.868 -11.948 631 2HG1 VAL 86 2HG1 VAL 86 3.331 -4.849 -13.260 632 3HG1 VAL 86 3HG1 VAL 86 3.879 -4.964 -11.587 633 1HG2 VAL 86 1HG2 VAL 86 1.636 -8.267 -13.027 634 2HG2 VAL 86 2HG2 VAL 86 1.350 -6.658 -13.692 635 3HG2 VAL 86 3HG2 VAL 86 0.932 -7.007 -12.014 636 HA PRO 87 HA PRO 87 8.029 -6.246 -13.111 637 1HB PRO 87 2HB PRO 87 8.550 -4.274 -14.929 638 2HB PRO 87 1HB PRO 87 8.502 -5.992 -15.369 639 1HG PRO 87 2HG PRO 87 6.555 -3.860 -15.923 640 2HG PRO 87 1HG PRO 87 6.862 -5.367 -16.793 641 1HD PRO 87 2HD PRO 87 4.754 -4.833 -14.986 642 2HD PRO 87 1HD PRO 87 5.170 -6.398 -15.717 643 H MET 88 H MET 88 9.200 -3.800 -12.938 644 HA MET 88 HA MET 88 7.279 -2.202 -11.268 645 1HB MET 88 2HB MET 88 9.887 -1.529 -10.568 646 2HB MET 88 1HB MET 88 8.794 -2.545 -9.634 647 1HG MET 88 2HG MET 88 10.743 -3.871 -9.874 648 2HG MET 88 1HG MET 88 9.673 -4.491 -11.127 649 1HE MET 88 1HE MET 88 13.362 -2.048 -11.152 650 2HE MET 88 2HE MET 88 11.952 -1.903 -10.105 651 3HE MET 88 3HE MET 88 12.056 -0.933 -11.572 652 H SER 89 H SER 89 8.487 -2.090 -14.206 653 HA SER 89 HA SER 89 9.563 0.680 -14.042 654 1HB SER 89 2HB SER 89 9.495 -1.160 -16.422 655 2HB SER 89 1HB SER 89 10.584 0.190 -16.123 656 HG SER 89 HG SER 89 11.836 -1.231 -15.221 657 H LEU 90 H LEU 90 7.902 2.103 -14.116 658 HA LEU 90 HA LEU 90 5.385 1.883 -15.388 659 1HB LEU 90 2HB LEU 90 7.047 3.851 -14.143 660 2HB LEU 90 1HB LEU 90 6.421 4.548 -15.638 661 HG LEU 90 HG LEU 90 4.664 3.132 -13.621 662 1HD1 LEU 90 1HD1 LEU 90 4.285 5.111 -12.497 663 2HD1 LEU 90 2HD1 LEU 90 4.649 6.103 -13.909 664 3HD1 LEU 90 3HD1 LEU 90 5.962 5.386 -12.974 665 1HD2 LEU 90 1HD2 LEU 90 3.002 3.531 -15.098 666 2HD2 LEU 90 2HD2 LEU 90 4.256 3.942 -16.269 667 3HD2 LEU 90 3HD2 LEU 90 3.503 5.209 -15.301 668 HA PRO 91 HA PRO 91 7.151 1.674 -19.546 669 1HB PRO 91 2HB PRO 91 4.848 0.772 -20.735 670 2HB PRO 91 1HB PRO 91 5.999 -0.289 -19.899 671 1HG PRO 91 2HG PRO 91 3.409 0.809 -18.945 672 2HG PRO 91 1HG PRO 91 4.128 -0.781 -18.673 673 1HD PRO 91 2HD PRO 91 4.143 1.216 -16.813 674 2HD PRO 91 1HD PRO 91 5.378 -0.060 -16.898 675 HA PRO 92 HA PRO 92 5.733 5.603 -20.913 676 1HB PRO 92 2HB PRO 92 6.616 5.483 -23.491 677 2HB PRO 92 1HB PRO 92 7.703 5.706 -22.106 678 1HG PRO 92 2HG PRO 92 7.091 3.244 -23.662 679 2HG PRO 92 1HG PRO 92 8.638 3.807 -23.008 680 1HD PRO 92 2HD PRO 92 7.135 1.866 -21.839 681 2HD PRO 92 1HD PRO 92 8.217 2.943 -20.929 682 H ALA 93 H ALA 93 4.421 2.701 -22.055 683 HA ALA 93 HA ALA 93 2.541 4.095 -23.929 684 1HB ALA 93 1HB ALA 93 2.730 2.176 -25.121 685 2HB ALA 93 2HB ALA 93 2.254 1.217 -23.717 686 3HB ALA 93 3HB ALA 93 3.949 1.641 -23.963 687 H LEU 94 H LEU 94 2.646 3.936 -20.857 688 HA LEU 94 HA LEU 94 -0.210 3.143 -20.496 689 1HB LEU 94 2HB LEU 94 1.017 1.246 -19.813 690 2HB LEU 94 1HB LEU 94 2.319 2.223 -19.151 691 HG LEU 94 HG LEU 94 0.776 1.059 -17.478 692 1HD1 LEU 94 1HD1 LEU 94 2.029 3.618 -17.510 693 2HD1 LEU 94 2HD1 LEU 94 1.741 2.560 -16.125 694 3HD1 LEU 94 3HD1 LEU 94 0.534 3.760 -16.579 695 1HD2 LEU 94 1HD2 LEU 94 -1.150 2.519 -19.008 696 2HD2 LEU 94 2HD2 LEU 94 -1.151 3.160 -17.366 697 3HD2 LEU 94 3HD2 LEU 94 -1.429 1.446 -17.643 698 H VAL 95 H VAL 95 2.122 5.527 -20.174 699 HA VAL 95 HA VAL 95 1.371 6.627 -17.579 700 HB VAL 95 HB VAL 95 2.676 8.118 -19.856 701 1HG1 VAL 95 1HG1 VAL 95 3.426 8.047 -16.932 702 2HG1 VAL 95 2HG1 VAL 95 2.147 9.105 -17.528 703 3HG1 VAL 95 3HG1 VAL 95 3.795 9.289 -18.128 704 1HG2 VAL 95 1HG2 VAL 95 4.831 7.055 -18.773 705 2HG2 VAL 95 2HG2 VAL 95 3.940 6.158 -20.003 706 3HG2 VAL 95 3HG2 VAL 95 3.721 5.769 -18.296 707 HA PRO 96 HA PRO 96 -2.277 8.625 -19.177 708 1HB PRO 96 2HB PRO 96 -2.951 9.916 -16.859 709 2HB PRO 96 1HB PRO 96 -3.241 8.184 -17.115 710 1HG PRO 96 2HG PRO 96 -1.102 9.536 -15.565 711 2HG PRO 96 1HG PRO 96 -1.952 8.021 -15.234 712 1HD PRO 96 2HD PRO 96 0.583 8.185 -16.289 713 2HD PRO 96 1HD PRO 96 -0.501 6.791 -16.486 714 HA PRO 97 HA PRO 97 -1.061 12.767 -20.044 715 1HB PRO 97 2HB PRO 97 -3.296 14.278 -19.547 716 2HB PRO 97 1HB PRO 97 -3.149 13.195 -20.947 717 1HG PRO 97 2HG PRO 97 -4.539 12.747 -18.348 718 2HG PRO 97 1HG PRO 97 -5.049 12.315 -19.988 719 1HD PRO 97 2HD PRO 97 -3.989 10.514 -18.267 720 2HD PRO 97 1HD PRO 97 -3.773 10.402 -20.027 721 H SER 98 H SER 98 -1.189 15.145 -19.011 722 HA SER 98 HA SER 98 -0.792 16.546 -17.142 723 1HB SER 98 2HB SER 98 -2.502 14.577 -16.204 724 2HB SER 98 1HB SER 98 -1.128 14.455 -15.110 725 HG SER 98 HG SER 98 -1.447 16.497 -14.461 726 H LYS 99 H LYS 99 0.436 13.222 -16.838 727 HA LYS 99 HA LYS 99 2.920 14.161 -15.563 728 1HB LYS 99 2HB LYS 99 1.951 12.109 -14.775 729 2HB LYS 99 1HB LYS 99 1.708 11.514 -16.415 730 1HG LYS 99 2HG LYS 99 3.627 10.406 -15.322 731 2HG LYS 99 1HG LYS 99 4.144 11.340 -16.725 732 1HD LYS 99 2HD LYS 99 4.859 13.175 -15.289 733 2HD LYS 99 1HD LYS 99 4.229 12.342 -13.867 734 1HE LYS 99 2HE LYS 99 5.856 10.548 -14.126 735 2HE LYS 99 1HE LYS 99 6.431 11.247 -15.653 736 1HZ LYS 99 1HZ LYS 99 7.778 11.922 -13.699 737 2HZ LYS 99 2HZ LYS 99 6.407 12.694 -13.059 738 3HZ LYS 99 3HZ LYS 99 7.084 13.233 -14.521 739 H ARG 100 H ARG 100 1.768 14.411 -18.586 740 HA ARG 100 HA ARG 100 4.243 13.474 -19.982 741 1HB ARG 100 2HB ARG 100 1.728 14.582 -21.236 742 2HB ARG 100 1HB ARG 100 2.883 13.438 -21.922 743 1HG ARG 100 2HG ARG 100 1.044 12.869 -19.576 744 2HG ARG 100 1HG ARG 100 0.787 12.309 -21.229 745 1HD ARG 100 2HD ARG 100 3.082 11.564 -19.383 746 2HD ARG 100 1HD ARG 100 1.842 10.486 -20.054 747 HE ARG 100 HE ARG 100 2.889 11.544 -22.326 748 1HH1 ARG 100 1HH2 ARG 100 5.107 11.792 -19.966 749 2HH1 ARG 100 2HH2 ARG 100 6.199 10.580 -20.549 750 1HH2 ARG 100 2HH1 ARG 100 3.964 9.310 -22.877 751 2HH2 ARG 100 1HH1 ARG 100 5.552 9.176 -22.197 752 H SER 107 1H SER 107 10.993 3.535 -1.987 753 HA SER 107 HA SER 107 9.626 5.698 -1.503 754 1HB SER 107 2HB SER 107 8.720 3.538 -3.430 755 2HB SER 107 1HB SER 107 8.598 5.280 -3.662 756 HG SER 107 HG SER 107 10.410 4.546 -4.741 757 H THR 108 H THR 108 6.953 5.362 -2.515 758 HA THR 108 HA THR 108 5.592 4.567 0.006 759 HB THR 108 HB THR 108 5.292 6.805 -1.122 760 HG1 THR 108 HG1 THR 108 3.599 6.424 0.099 761 1HG2 THR 108 1HG2 THR 108 5.397 5.856 -3.446 762 2HG2 THR 108 2HG2 THR 108 4.021 6.926 -3.178 763 3HG2 THR 108 3HG2 THR 108 3.791 5.177 -3.188 764 H ASN 109 H ASN 109 4.475 2.672 0.116 765 HA ASN 109 HA ASN 109 2.954 1.558 -2.070 766 1HB ASN 109 2HB ASN 109 5.454 1.212 -2.641 767 2HB ASN 109 1HB ASN 109 5.464 0.028 -1.327 768 1HD2 ASN 109 1HD2 ASN 109 2.710 0.570 -3.538 769 2HD2 ASN 109 2HD2 ASN 109 2.795 -0.951 -4.272 770 HA PRO 110 HA PRO 110 1.645 0.088 1.985 771 1HB PRO 110 2HB PRO 110 -0.952 -0.403 1.253 772 2HB PRO 110 1HB PRO 110 -0.353 1.204 1.704 773 1HG PRO 110 2HG PRO 110 -0.872 0.067 -0.978 774 2HG PRO 110 1HG PRO 110 -1.116 1.710 -0.384 775 1HD PRO 110 2HD PRO 110 1.003 0.963 -1.950 776 2HD PRO 110 1HD PRO 110 1.037 2.335 -0.820 777 H PHE 111 H PHE 111 2.120 -1.464 -0.949 778 HA PHE 111 HA PHE 111 1.376 -4.131 0.189 779 1HB PHE 111 2HB PHE 111 2.143 -3.790 -2.669 780 2HB PHE 111 1HB PHE 111 0.951 -4.872 -1.968 781 HD1 PHE 111 HD1 PHE 111 1.602 -1.259 -2.635 782 HD2 PHE 111 HD2 PHE 111 -1.337 -4.340 -2.149 783 HE1 PHE 111 HE1 PHE 111 -0.159 0.330 -3.307 784 HE2 PHE 111 HE2 PHE 111 -3.100 -2.752 -2.822 785 HZ PHE 111 HZ PHE 111 -2.518 -0.410 -3.396 786 H ARG 112 HN ARG 112 3.722 -2.698 -2.067 787 HA ARG 112 HA ARG 112 6.091 -2.759 -2.072 788 1HB ARG 112 2HB ARG 112 7.095 -3.116 -0.057 789 2HB ARG 112 1HB ARG 112 5.440 -3.120 0.544 790 1HG ARG 112 2HG ARG 112 5.615 -5.706 -0.163 791 2HG ARG 112 1HG ARG 112 7.325 -5.395 0.166 792 1HD ARG 112 2HD ARG 112 6.405 -4.228 2.344 793 2HD ARG 112 1HD ARG 112 4.989 -5.255 2.050 794 HE ARG 112 HE ARG 112 7.735 -6.232 2.619 795 1HH1 ARG 112 1HH2 ARG 112 4.489 -6.729 3.134 796 2HH1 ARG 112 2HH2 ARG 112 4.515 -8.446 2.905 797 1HH2 ARG 112 1HH1 ARG 112 7.784 -8.497 1.733 798 2HH2 ARG 112 2HH1 ARG 112 6.386 -9.450 2.109
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