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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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479818 |
2xdf ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -62.544 -20.598 26.567 2 H2 MET 1 H3 MET 1 -63.592 -21.934 26.557 3 H3 MET 1 H2 MET 1 -62.024 -22.090 27.193 4 HA MET 1 HA MET 1 -61.301 -22.743 25.217 5 HB2 MET 1 HB2 MET 1 -64.031 -21.903 24.183 6 HB3 MET 1 HB3 MET 1 -62.878 -22.914 23.318 7 HG2 MET 1 HG2 MET 1 -63.548 -23.843 26.055 8 HG3 MET 1 HG3 MET 1 -64.878 -23.908 24.900 9 HE1 MET 1 HE1 MET 1 -65.054 -25.303 22.894 10 HE3 MET 1 HE2 MET 1 -65.306 -26.302 24.325 11 HE2 MET 1 HE3 MET 1 -64.379 -26.930 22.965 12 H ILE 2 H ILE 2 -59.935 -20.741 25.557 13 HA ILE 2 HA ILE 2 -60.505 -18.606 23.544 14 HB ILE 2 HB ILE 2 -58.569 -17.448 24.839 15 HG12 ILE 2 HG12 ILE 2 -59.438 -19.477 26.924 16 HG13 ILE 2 HG13 ILE 2 -57.914 -19.566 26.039 17 HG21 ILE 2 HG21 ILE 2 -61.248 -17.998 26.159 18 HG23 ILE 2 HG22 ILE 2 -60.932 -16.763 24.941 19 HG22 ILE 2 HG23 ILE 2 -60.187 -16.641 26.533 20 HD13 ILE 2 HD11 ILE 2 -56.982 -17.770 27.185 21 HD12 ILE 2 HD12 ILE 2 -58.083 -18.351 28.439 22 HD11 ILE 2 HD13 ILE 2 -58.540 -16.981 27.425 23 H SER 3 H SER 3 -59.173 -18.544 21.738 24 HA SER 3 HA SER 3 -56.559 -20.024 21.843 25 HB2 SER 3 HB2 SER 3 -56.995 -21.112 19.839 26 HB3 SER 3 HB3 SER 3 -58.598 -21.101 20.562 27 HG SER 3 HG SER 3 -58.615 -20.349 18.398 28 H GLY 4 H GLY 4 -54.846 -19.030 20.808 29 HA3 GLY 4 HA2 GLY 4 -55.379 -16.420 19.419 30 HA2 GLY 4 HA3 GLY 4 -54.022 -16.643 20.528 31 H ILE 5 H ILE 5 -52.634 -16.080 18.610 32 HA ILE 5 HA ILE 5 -52.562 -18.138 16.470 33 HB ILE 5 HB ILE 5 -51.011 -15.567 16.846 34 HG12 ILE 5 HG12 ILE 5 -53.429 -15.239 16.464 35 HG13 ILE 5 HG13 ILE 5 -52.509 -14.748 15.042 36 HG22 ILE 5 HG21 ILE 5 -50.646 -16.036 14.279 37 HG21 ILE 5 HG22 ILE 5 -50.991 -17.707 14.714 38 HG23 ILE 5 HG23 ILE 5 -49.633 -16.860 15.460 39 HD12 ILE 5 HD11 ILE 5 -54.321 -17.112 15.404 40 HD11 ILE 5 HD12 ILE 5 -52.953 -17.277 14.308 41 HD13 ILE 5 HD13 ILE 5 -54.155 -16.028 14.027 42 H LEU 6 H LEU 6 -50.974 -17.524 19.455 43 HA LEU 6 HA LEU 6 -49.043 -18.429 20.408 44 HB2 LEU 6 HB2 LEU 6 -50.284 -20.524 19.915 45 HB3 LEU 6 HB3 LEU 6 -49.538 -20.577 18.321 46 HG LEU 6 HG LEU 6 -47.295 -20.701 19.398 47 HD12 LEU 6 HD11 LEU 6 -47.482 -21.422 21.934 48 HD11 LEU 6 HD12 LEU 6 -48.978 -20.492 21.879 49 HD13 LEU 6 HD13 LEU 6 -47.439 -19.718 21.500 50 HD23 LEU 6 HD21 LEU 6 -49.082 -22.901 20.518 51 HD22 LEU 6 HD22 LEU 6 -47.430 -23.056 19.924 52 HD21 LEU 6 HD23 LEU 6 -48.748 -22.782 18.792 53 H ALA 7 H ALA 7 -47.324 -17.110 19.957 54 HA ALA 7 HA ALA 7 -46.103 -17.161 17.243 55 HB2 ALA 7 HB1 ALA 7 -46.523 -14.976 18.317 56 HB3 ALA 7 HB2 ALA 7 -44.800 -15.239 18.058 57 HB1 ALA 7 HB3 ALA 7 -45.491 -15.446 19.666 58 H SER 8 H SER 8 -45.524 -18.250 20.519 59 HA SER 8 HA SER 8 -43.029 -19.577 19.568 60 HB2 SER 8 HB2 SER 8 -41.960 -17.865 20.672 61 HB3 SER 8 HB3 SER 8 -43.289 -17.602 21.800 62 HG SER 8 HG SER 8 -41.089 -19.115 22.081 No H/Q in entry = 62 In of MODEL 1 1 HA PRO 9 HA PRO 9 -45.307 -22.733 21.886 2 HB2 PRO 9 HB2 PRO 9 -43.832 -24.893 21.241 3 HB3 PRO 9 HB3 PRO 9 -44.844 -24.076 20.028 4 HG2 PRO 9 HG2 PRO 9 -41.899 -23.836 20.494 5 HG3 PRO 9 HG3 PRO 9 -42.782 -24.005 18.963 6 HD2 PRO 9 HD2 PRO 9 -41.898 -21.581 19.935 7 HD3 PRO 9 HD3 PRO 9 -43.309 -21.750 18.864 8 H GLY 10 H GLY 10 -45.077 -23.614 23.961 9 HA3 GLY 10 HA2 GLY 10 -42.838 -24.577 25.268 10 HA2 GLY 10 HA3 GLY 10 -42.732 -22.831 25.504 11 H ILE 11 H ILE 11 -43.090 -23.339 27.840 12 HA ILE 11 HA ILE 11 -45.971 -23.228 28.460 13 HB ILE 11 HB ILE 11 -44.301 -25.216 30.015 14 HG12 ILE 11 HG12 ILE 11 -44.431 -25.857 27.549 15 HG13 ILE 11 HG13 ILE 11 -45.138 -27.021 28.665 16 HG22 ILE 11 HG21 ILE 11 -46.719 -26.087 30.435 17 HG21 ILE 11 HG22 ILE 11 -47.255 -24.569 29.715 18 HG23 ILE 11 HG23 ILE 11 -46.276 -24.557 31.180 19 HD13 ILE 11 HD11 ILE 11 -47.241 -26.757 27.818 20 HD12 ILE 11 HD12 ILE 11 -46.456 -25.976 26.444 21 HD11 ILE 11 HD13 ILE 11 -47.088 -25.002 27.767 22 H ALA 12 H ALA 12 -46.339 -22.208 30.549 23 HA ALA 12 HA ALA 12 -43.977 -21.481 32.148 24 HB1 ALA 12 HB1 ALA 12 -43.971 -19.827 30.298 25 HB3 ALA 12 HB2 ALA 12 -44.243 -19.074 31.870 26 HB2 ALA 12 HB3 ALA 12 -45.596 -19.328 30.764 27 H PHE 13 H PHE 13 -44.520 -20.500 34.167 28 HA PHE 13 HA PHE 13 -47.428 -20.428 34.881 29 HB2 PHE 13 HB2 PHE 13 -45.316 -21.493 36.773 30 HB3 PHE 13 HB3 PHE 13 -47.064 -21.673 36.870 31 HD1 PHE 13 HD1 PHE 13 -44.141 -22.546 34.673 32 HD2 PHE 13 HD2 PHE 13 -48.057 -23.663 36.088 33 HE1 PHE 13 HE1 PHE 13 -43.952 -24.721 33.484 34 HE2 PHE 13 HE2 PHE 13 -47.868 -25.833 34.890 35 HZ PHE 13 HZ PHE 13 -45.819 -26.361 33.592 36 H GLY 14 H GLY 14 -47.873 -18.397 35.879 37 HA3 GLY 14 HA2 GLY 14 -46.151 -17.257 37.838 38 HA2 GLY 14 HA3 GLY 14 -45.802 -16.496 36.287 39 H LYS 15 H LYS 15 -46.650 -14.769 37.996 40 HA LYS 15 HA LYS 15 -49.568 -14.522 38.151 41 HB2 LYS 15 HB2 LYS 15 -47.325 -12.619 38.866 42 HB3 LYS 15 HB3 LYS 15 -49.032 -12.259 39.124 43 HG2 LYS 15 HG2 LYS 15 -49.240 -14.280 40.531 44 HG3 LYS 15 HG3 LYS 15 -47.530 -14.626 40.275 45 HD2 LYS 15 HD2 LYS 15 -46.928 -12.487 41.345 46 HD3 LYS 15 HD3 LYS 15 -48.639 -12.133 41.602 47 HE2 LYS 15 HE2 LYS 15 -48.829 -14.220 42.957 48 HE3 LYS 15 HE3 LYS 15 -47.096 -14.477 42.762 49 HZ2 LYS 15 HZ1 LYS 15 -48.386 -12.131 44.050 50 HZ1 LYS 15 HZ2 LYS 15 -46.714 -12.320 43.820 51 HZ3 LYS 15 HZ3 LYS 15 -47.558 -13.380 44.848 52 H ALA 16 H ALA 16 -50.739 -12.667 37.199 53 HA ALA 16 HA ALA 16 -49.672 -12.066 34.462 54 HB3 ALA 16 HB1 ALA 16 -52.521 -11.482 35.163 55 HB1 ALA 16 HB2 ALA 16 -52.030 -13.179 35.129 56 HB2 ALA 16 HB3 ALA 16 -51.833 -12.173 33.691 57 H LEU 17 H LEU 17 -49.112 -10.050 33.920 58 HA LEU 17 HA LEU 17 -49.736 -7.824 35.806 59 HB2 LEU 17 HB2 LEU 17 -47.340 -8.200 35.213 60 HB3 LEU 17 HB3 LEU 17 -47.743 -7.961 33.515 61 HG LEU 17 HG LEU 17 -48.522 -5.663 34.032 62 HD12 LEU 17 HD11 LEU 17 -47.681 -4.815 36.359 63 HD11 LEU 17 HD12 LEU 17 -47.741 -6.517 36.821 64 HD13 LEU 17 HD13 LEU 17 -49.205 -5.688 36.287 65 HD22 LEU 17 HD21 LEU 17 -46.198 -6.026 33.317 66 HD21 LEU 17 HD22 LEU 17 -45.716 -6.325 34.987 67 HD23 LEU 17 HD23 LEU 17 -46.269 -4.722 34.502 68 H LEU 18 H LEU 18 -51.097 -6.158 35.099 69 HA LEU 18 HA LEU 18 -52.078 -6.313 32.269 70 HB2 LEU 18 HB2 LEU 18 -53.779 -6.933 33.957 71 HB3 LEU 18 HB3 LEU 18 -53.540 -5.384 34.757 72 HG LEU 18 HG LEU 18 -54.285 -4.210 32.721 73 HD12 LEU 18 HD11 LEU 18 -55.479 -5.807 31.000 74 HD11 LEU 18 HD12 LEU 18 -54.363 -7.016 31.635 75 HD13 LEU 18 HD13 LEU 18 -53.744 -5.546 30.883 76 HD22 LEU 18 HD21 LEU 18 -56.562 -4.539 33.118 77 HD21 LEU 18 HD22 LEU 18 -55.875 -5.272 34.564 78 HD23 LEU 18 HD23 LEU 18 -56.401 -6.290 33.226 79 H LEU 19 H LEU 19 -51.540 -4.619 31.072 80 HA LEU 19 HA LEU 19 -50.549 -2.134 32.337 81 HB2 LEU 19 HB2 LEU 19 -50.843 -2.701 29.378 82 HB3 LEU 19 HB3 LEU 19 -49.828 -1.476 30.142 83 HG LEU 19 HG LEU 19 -49.477 -4.484 30.229 84 HD12 LEU 19 HD11 LEU 19 -47.518 -2.329 29.422 85 HD11 LEU 19 HD12 LEU 19 -48.627 -3.072 28.271 86 HD13 LEU 19 HD13 LEU 19 -47.423 -4.058 29.096 87 HD22 LEU 19 HD21 LEU 19 -48.946 -3.852 32.441 88 HD21 LEU 19 HD22 LEU 19 -48.261 -2.305 31.933 89 HD23 LEU 19 HD23 LEU 19 -47.388 -3.805 31.617 90 H LYS 20 H LYS 20 -52.219 -0.887 33.095 91 HA LYS 20 HA LYS 20 -54.620 -0.431 31.384 92 HB2 LYS 20 HB2 LYS 20 -53.940 0.367 34.235 93 HB3 LYS 20 HB3 LYS 20 -55.451 0.774 33.424 94 HG2 LYS 20 HG2 LYS 20 -56.123 -1.501 33.293 95 HG3 LYS 20 HG3 LYS 20 -54.504 -2.086 33.694 96 HD2 LYS 20 HD2 LYS 20 -54.699 -1.516 35.953 97 HD3 LYS 20 HD3 LYS 20 -55.942 -0.302 35.659 98 HE2 LYS 20 HE2 LYS 20 -57.482 -2.240 34.983 99 HE3 LYS 20 HE3 LYS 20 -56.254 -3.308 35.656 100 HZ2 LYS 20 HZ1 LYS 20 -58.003 -2.722 37.252 101 HZ1 LYS 20 HZ2 LYS 20 -57.548 -1.089 37.138 102 HZ3 LYS 20 HZ3 LYS 20 -56.461 -2.229 37.764 103 H GLU 21 H GLU 21 -54.921 1.479 30.334 104 HA GLU 21 HA GLU 21 -53.193 3.768 31.024 105 HB2 GLU 21 HB2 GLU 21 -53.903 2.996 28.192 106 HB3 GLU 21 HB3 GLU 21 -52.752 4.223 28.720 107 HG2 GLU 21 HG2 GLU 21 -51.558 2.251 29.932 108 HG3 GLU 21 HG3 GLU 21 -52.498 1.226 28.846 109 H ASP 22 H ASP 22 -54.277 5.618 31.296 110 HA ASP 22 HA ASP 22 -57.141 5.669 30.937 111 HB2 ASP 22 HB2 ASP 22 -55.361 7.993 31.680 112 HB3 ASP 22 HB3 ASP 22 -57.071 7.778 32.048 113 H GLU 23 H GLU 23 -58.313 7.085 29.600 114 HA GLU 23 HA GLU 23 -57.205 7.483 27.000 115 HB2 GLU 23 HB2 GLU 23 -59.783 8.483 28.232 116 HB3 GLU 23 HB3 GLU 23 -59.378 8.588 26.520 117 HG2 GLU 23 HG2 GLU 23 -60.606 6.601 26.595 118 HG3 GLU 23 HG3 GLU 23 -58.949 6.012 26.737 119 H ILE 24 H ILE 24 -56.433 9.297 26.029 120 HA ILE 24 HA ILE 24 -55.608 11.476 27.744 121 HB ILE 24 HB ILE 24 -54.696 12.355 25.492 122 HG12 ILE 24 HG12 ILE 24 -55.300 9.495 24.685 123 HG13 ILE 24 HG13 ILE 24 -56.277 10.869 24.170 124 HG21 ILE 24 HG21 ILE 24 -53.849 9.748 26.778 125 HG23 ILE 24 HG22 ILE 24 -53.193 11.359 27.067 126 HG22 ILE 24 HG23 ILE 24 -52.889 10.548 25.532 127 HD13 ILE 24 HD11 ILE 24 -54.639 10.395 22.439 128 HD12 ILE 24 HD12 ILE 24 -53.328 10.434 23.617 129 HD11 ILE 24 HD13 ILE 24 -54.204 11.915 23.223 130 H VAL 25 H VAL 25 -56.756 13.255 28.114 131 HA VAL 25 HA VAL 25 -59.119 13.818 26.494 132 HB VAL 25 HB VAL 25 -59.221 13.897 28.982 133 HG12 VAL 25 HG11 VAL 25 -57.589 16.429 28.751 134 HG11 VAL 25 HG12 VAL 25 -56.852 14.876 29.145 135 HG13 VAL 25 HG13 VAL 25 -58.066 15.577 30.218 136 HG23 VAL 25 HG21 VAL 25 -59.653 16.575 27.618 137 HG22 VAL 25 HG22 VAL 25 -60.444 16.024 29.097 138 HG21 VAL 25 HG23 VAL 25 -60.782 15.220 27.563 139 H ILE 26 H ILE 26 -59.271 15.408 25.028 140 HA ILE 26 HA ILE 26 -57.001 17.295 24.807 141 HB ILE 26 HB ILE 26 -58.770 16.192 22.609 142 HG12 ILE 26 HG12 ILE 26 -55.806 15.772 23.081 143 HG13 ILE 26 HG13 ILE 26 -57.035 14.638 23.644 144 HG22 ILE 26 HG21 ILE 26 -56.977 17.350 21.186 145 HG21 ILE 26 HG22 ILE 26 -56.513 18.205 22.655 146 HG23 ILE 26 HG23 ILE 26 -58.135 18.406 21.994 147 HD13 ILE 26 HD11 ILE 26 -56.192 13.900 21.472 148 HD12 ILE 26 HD12 ILE 26 -56.549 15.480 20.770 149 HD11 ILE 26 HD13 ILE 26 -57.864 14.430 21.299 150 H ASP 27 H ASP 27 -57.481 19.372 25.096 151 HA ASP 27 HA ASP 27 -60.283 20.182 25.265 152 HB2 ASP 27 HB2 ASP 27 -57.939 22.005 25.723 153 HB3 ASP 27 HB3 ASP 27 -59.539 22.053 26.458 154 H ARG 28 H ARG 28 -61.303 21.030 23.576 155 HA ARG 28 HA ARG 28 -59.750 22.049 21.311 156 HB2 ARG 28 HB2 ARG 28 -62.610 21.201 21.698 157 HB3 ARG 28 HB3 ARG 28 -62.142 22.173 20.303 158 HG2 ARG 28 HG2 ARG 28 -61.435 20.297 19.283 159 HG3 ARG 28 HG3 ARG 28 -60.200 20.124 20.531 160 HD2 ARG 28 HD2 ARG 28 -62.287 19.170 21.910 161 HD3 ARG 28 HD3 ARG 28 -62.854 18.783 20.287 162 HE ARG 28 HE ARG 28 -60.654 17.536 21.687 163 HH21 ARG 28 HH11 ARG 28 -59.625 15.840 20.579 164 HH22 ARG 28 HH12 ARG 28 -59.897 15.631 18.882 165 HH11 ARG 28 HH21 ARG 28 -62.057 18.332 18.627 166 HH12 ARG 28 HH22 ARG 28 -61.274 17.041 17.776 167 H LYS 29 H LYS 29 -60.444 23.416 24.033 168 HA LYS 29 HA LYS 29 -62.027 25.698 23.305 169 HB2 LYS 29 HB2 LYS 29 -60.130 25.342 25.638 170 HB3 LYS 29 HB3 LYS 29 -61.380 26.580 25.487 171 HG2 LYS 29 HG2 LYS 29 -62.919 24.425 25.085 172 HG3 LYS 29 HG3 LYS 29 -61.660 23.663 26.056 173 HD2 LYS 29 HD2 LYS 29 -62.149 26.043 27.402 174 HD3 LYS 29 HD3 LYS 29 -63.754 25.531 26.876 175 HE2 LYS 29 HE2 LYS 29 -63.242 23.246 27.812 176 HE3 LYS 29 HE3 LYS 29 -61.763 23.922 28.497 177 HZ1 LYS 29 HZ1 LYS 29 -63.686 25.686 29.247 178 HZ3 LYS 29 HZ2 LYS 29 -63.022 24.471 30.228 179 HZ2 LYS 29 HZ3 LYS 29 -64.473 24.191 29.388 180 H LYS 30 H LYS 30 -61.374 27.321 22.061 181 HA LYS 30 HA LYS 30 -58.750 27.656 21.109 182 HB2 LYS 30 HB2 LYS 30 -60.775 29.885 21.273 183 HB3 LYS 30 HB3 LYS 30 -59.536 29.618 20.046 184 HG2 LYS 30 HG2 LYS 30 -60.946 27.274 19.897 185 HG3 LYS 30 HG3 LYS 30 -62.224 28.426 20.291 186 HD2 LYS 30 HD2 LYS 30 -61.228 29.901 18.426 187 HD3 LYS 30 HD3 LYS 30 -60.350 28.455 17.923 188 HE2 LYS 30 HE2 LYS 30 -62.576 27.244 17.866 189 HE3 LYS 30 HE3 LYS 30 -63.352 28.811 18.103 190 HZ2 LYS 30 HZ1 LYS 30 -62.852 27.843 15.713 191 HZ1 LYS 30 HZ2 LYS 30 -61.354 28.597 15.982 192 HZ3 LYS 30 HZ3 LYS 30 -62.787 29.508 16.036 193 H ILE 31 H ILE 31 -57.109 29.088 21.645 194 HA ILE 31 HA ILE 31 -57.257 30.164 24.386 195 HB ILE 31 HB ILE 31 -54.878 30.006 24.466 196 HG12 ILE 31 HG12 ILE 31 -55.026 29.443 21.485 197 HG13 ILE 31 HG13 ILE 31 -54.401 30.913 22.233 198 HG23 ILE 31 HG21 ILE 31 -55.105 27.791 24.780 199 HG22 ILE 31 HG22 ILE 31 -54.903 27.542 23.047 200 HG21 ILE 31 HG23 ILE 31 -56.518 27.760 23.724 201 HD12 ILE 31 HD11 ILE 31 -52.641 29.210 21.541 202 HD11 ILE 31 HD12 ILE 31 -53.272 28.168 22.820 203 HD13 ILE 31 HD13 ILE 31 -52.564 29.734 23.225 204 H SER 32 H SER 32 -56.501 32.268 24.835 205 HA SER 32 HA SER 32 -57.022 34.173 22.718 206 HB2 SER 32 HB2 SER 32 -57.822 35.110 24.637 207 HB3 SER 32 HB3 SER 32 -56.676 34.247 25.658 208 HG SER 32 HG SER 32 -55.622 36.059 25.676 209 H ALA 33 H ALA 33 -55.487 36.093 22.546 210 HA ALA 33 HA ALA 33 -52.984 35.223 21.485 211 HB1 ALA 33 HB1 ALA 33 -53.442 38.029 22.509 212 HB2 ALA 33 HB2 ALA 33 -54.221 37.444 21.037 213 HB3 ALA 33 HB3 ALA 33 -52.461 37.504 21.143 214 H ASP 34 H ASP 34 -53.672 36.869 24.609 215 HA ASP 34 HA ASP 34 -51.014 36.907 25.556 216 HB2 ASP 34 HB2 ASP 34 -53.709 36.817 26.886 217 HB3 ASP 34 HB3 ASP 34 -52.280 36.560 27.891 218 H GLN 35 H GLN 35 -53.281 34.241 25.324 219 HA GLN 35 HA GLN 35 -51.644 32.459 26.973 220 HB2 GLN 35 HB2 GLN 35 -54.155 32.180 25.338 221 HB3 GLN 35 HB3 GLN 35 -53.333 30.744 25.966 222 HG2 GLN 35 HG2 GLN 35 -53.575 31.517 28.229 223 HG3 GLN 35 HG3 GLN 35 -54.158 33.096 27.689 224 HE21 GLN 35 HE21 GLN 35 -55.793 31.671 29.427 225 HE22 GLN 35 HE22 GLN 35 -57.142 31.064 28.593 226 H VAL 36 H VAL 36 -51.492 33.526 23.727 227 HA VAL 36 HA VAL 36 -50.644 31.096 22.464 228 HB VAL 36 HB VAL 36 -50.135 34.019 21.860 229 HG12 VAL 36 HG11 VAL 36 -49.268 33.161 19.639 230 HG11 VAL 36 HG12 VAL 36 -49.148 31.566 20.382 231 HG13 VAL 36 HG13 VAL 36 -48.183 32.905 21.001 232 HG22 VAL 36 HG21 VAL 36 -51.720 33.689 20.107 233 HG21 VAL 36 HG22 VAL 36 -52.409 32.876 21.513 234 HG23 VAL 36 HG23 VAL 36 -51.620 31.931 20.251 235 H ASP 37 H ASP 37 -48.738 33.774 23.864 236 HA ASP 37 HA ASP 37 -46.213 32.527 23.556 237 HB2 ASP 37 HB2 ASP 37 -47.207 34.555 25.569 238 HB3 ASP 37 HB3 ASP 37 -45.517 34.061 25.452 239 H GLN 38 H GLN 38 -48.572 32.330 26.217 240 HA GLN 38 HA GLN 38 -46.826 30.813 27.933 241 HB2 GLN 38 HB2 GLN 38 -49.850 30.943 27.902 242 HB3 GLN 38 HB3 GLN 38 -48.877 30.246 29.198 243 HG2 GLN 38 HG2 GLN 38 -47.684 32.628 29.148 244 HG3 GLN 38 HG3 GLN 38 -49.207 33.125 28.398 245 HE21 GLN 38 HE21 GLN 38 -47.945 33.486 31.246 246 HE22 GLN 38 HE22 GLN 38 -49.224 33.077 32.288 247 H GLU 39 H GLU 39 -49.271 29.813 25.538 248 HA GLU 39 HA GLU 39 -49.126 27.028 26.216 249 HB2 GLU 39 HB2 GLU 39 -49.939 28.448 23.674 250 HB3 GLU 39 HB3 GLU 39 -50.051 26.697 23.879 251 HG2 GLU 39 HG2 GLU 39 -51.300 28.661 25.812 252 HG3 GLU 39 HG3 GLU 39 -52.171 27.985 24.444 253 H VAL 40 H VAL 40 -47.262 29.006 23.890 254 HA VAL 40 HA VAL 40 -45.844 26.822 22.732 255 HB VAL 40 HB VAL 40 -45.096 29.731 23.159 256 HG12 VAL 40 HG11 VAL 40 -43.435 29.029 21.189 257 HG11 VAL 40 HG12 VAL 40 -43.547 27.446 21.963 258 HG13 VAL 40 HG13 VAL 40 -42.966 28.839 22.879 259 HG22 VAL 40 HG21 VAL 40 -45.746 29.989 20.869 260 HG21 VAL 40 HG22 VAL 40 -47.022 29.037 21.623 261 HG23 VAL 40 HG23 VAL 40 -45.811 28.246 20.613 262 H GLU 41 H GLU 41 -45.094 28.885 25.549 263 HA GLU 41 HA GLU 41 -42.645 27.615 26.248 264 HB2 GLU 41 HB2 GLU 41 -43.467 29.752 27.242 265 HB3 GLU 41 HB3 GLU 41 -44.694 28.846 28.125 266 HG2 GLU 41 HG2 GLU 41 -42.796 29.234 29.597 267 HG3 GLU 41 HG3 GLU 41 -42.855 27.516 29.201 268 H ARG 42 H ARG 42 -46.007 26.827 27.158 269 HA ARG 42 HA ARG 42 -45.348 24.717 28.969 270 HB2 ARG 42 HB2 ARG 42 -47.776 25.117 27.199 271 HB3 ARG 42 HB3 ARG 42 -47.638 23.793 28.356 272 HG2 ARG 42 HG2 ARG 42 -47.244 25.479 30.166 273 HG3 ARG 42 HG3 ARG 42 -47.547 26.758 28.994 274 HD2 ARG 42 HD2 ARG 42 -49.806 25.946 28.615 275 HD3 ARG 42 HD3 ARG 42 -49.515 24.543 29.638 276 HE ARG 42 HE ARG 42 -49.011 26.721 31.297 277 HH21 ARG 42 HH11 ARG 42 -50.623 27.635 32.596 278 HH22 ARG 42 HH12 ARG 42 -52.287 27.478 32.135 279 HH11 ARG 42 HH21 ARG 42 -51.594 25.662 29.265 280 HH12 ARG 42 HH22 ARG 42 -52.832 26.362 30.251 281 H PHE 43 H PHE 43 -45.896 24.738 25.466 282 HA PHE 43 HA PHE 43 -45.515 21.940 25.033 283 HB2 PHE 43 HB2 PHE 43 -46.400 23.544 23.319 284 HB3 PHE 43 HB3 PHE 43 -44.778 24.226 23.172 285 HD1 PHE 43 HD1 PHE 43 -46.601 20.947 22.992 286 HD2 PHE 43 HD2 PHE 43 -43.266 23.313 21.639 287 HE1 PHE 43 HE1 PHE 43 -45.995 19.175 21.364 288 HE2 PHE 43 HE2 PHE 43 -42.658 21.527 20.017 289 HZ PHE 43 HZ PHE 43 -44.022 19.455 19.886 290 H LEU 44 H LEU 44 -43.205 24.671 24.864 291 HA LEU 44 HA LEU 44 -40.901 23.074 24.355 292 HB2 LEU 44 HB2 LEU 44 -40.930 25.518 24.047 293 HB3 LEU 44 HB3 LEU 44 -41.160 25.744 25.776 294 HG LEU 44 HG LEU 44 -38.939 24.798 26.227 295 HD12 LEU 44 HD11 LEU 44 -37.458 24.394 24.108 296 HD11 LEU 44 HD12 LEU 44 -38.988 24.188 23.273 297 HD13 LEU 44 HD13 LEU 44 -38.573 23.125 24.612 298 HD21 LEU 44 HD21 LEU 44 -38.923 26.870 24.014 299 HD23 LEU 44 HD22 LEU 44 -37.550 26.516 25.065 300 HD22 LEU 44 HD23 LEU 44 -39.032 27.192 25.744 301 H SER 45 H SER 45 -42.347 24.210 27.424 302 HA SER 45 HA SER 45 -40.350 23.030 29.117 303 HB2 SER 45 HB2 SER 45 -41.924 23.332 30.913 304 HB3 SER 45 HB3 SER 45 -42.054 24.720 29.843 305 HG SER 45 HG SER 45 -43.808 22.566 30.234 306 H GLY 46 H GLY 46 -43.468 21.805 27.893 307 HA3 GLY 46 HA2 GLY 46 -43.269 19.247 29.234 308 HA2 GLY 46 HA3 GLY 46 -44.337 19.612 27.875 309 H ARG 47 H ARG 47 -42.367 20.461 26.032 310 HA ARG 47 HA ARG 47 -41.482 17.948 24.956 311 HB2 ARG 47 HB2 ARG 47 -40.970 20.852 24.327 312 HB3 ARG 47 HB3 ARG 47 -40.063 19.592 23.498 313 HG2 ARG 47 HG2 ARG 47 -43.072 19.887 23.562 314 HG3 ARG 47 HG3 ARG 47 -42.020 20.161 22.168 315 HD2 ARG 47 HD2 ARG 47 -41.263 17.671 22.749 316 HD3 ARG 47 HD3 ARG 47 -42.856 17.589 23.465 317 HE ARG 47 HE ARG 47 -43.671 18.011 21.123 318 HH21 ARG 47 HH11 ARG 47 -43.373 17.792 18.947 319 HH22 ARG 47 HH12 ARG 47 -41.772 17.683 18.304 320 HH11 ARG 47 HH21 ARG 47 -40.229 17.967 21.391 321 HH12 ARG 47 HH22 ARG 47 -39.994 17.790 19.687 322 H ALA 48 H ALA 48 -40.045 20.410 26.989 323 HA ALA 48 HA ALA 48 -37.321 19.617 26.780 324 HB3 ALA 48 HB1 ALA 48 -38.247 21.727 27.944 325 HB1 ALA 48 HB2 ALA 48 -36.968 20.872 28.810 326 HB2 ALA 48 HB3 ALA 48 -38.651 20.681 29.303 327 H LYS 49 H LYS 49 -39.948 18.426 28.881 328 HA LYS 49 HA LYS 49 -38.274 16.629 30.367 329 HB2 LYS 49 HB2 LYS 49 -41.220 16.514 29.717 330 HB3 LYS 49 HB3 LYS 49 -40.420 15.425 30.847 331 HG2 LYS 49 HG2 LYS 49 -40.273 18.435 31.131 332 HG3 LYS 49 HG3 LYS 49 -41.575 17.506 31.859 333 HD2 LYS 49 HD2 LYS 49 -39.730 16.110 32.981 334 HD3 LYS 49 HD3 LYS 49 -38.602 17.375 32.513 335 HE2 LYS 49 HE2 LYS 49 -39.967 19.006 33.836 336 HE3 LYS 49 HE3 LYS 49 -40.980 17.666 34.375 337 HZ1 LYS 49 HZ1 LYS 49 -38.044 17.746 34.745 338 HZ3 LYS 49 HZ2 LYS 49 -39.153 16.669 35.458 339 HZ2 LYS 49 HZ3 LYS 49 -39.151 18.305 35.906 340 H ALA 50 H ALA 50 -40.732 15.554 27.960 341 HA ALA 50 HA ALA 50 -39.848 13.081 27.391 342 HB3 ALA 50 HB1 ALA 50 -40.575 15.088 25.244 343 HB2 ALA 50 HB2 ALA 50 -41.729 14.165 26.199 344 HB1 ALA 50 HB3 ALA 50 -40.646 13.337 25.085 345 H SER 51 H SER 51 -38.156 16.008 26.305 346 HA SER 51 HA SER 51 -36.396 14.726 24.472 347 HB2 SER 51 HB2 SER 51 -35.140 16.680 24.535 348 HB3 SER 51 HB3 SER 51 -36.674 17.277 25.165 349 HG SER 51 HG SER 51 -35.844 17.376 27.135 350 H ALA 52 H ALA 52 -35.858 15.507 27.905 351 HA ALA 52 HA ALA 52 -33.478 13.915 28.100 352 HB1 ALA 52 HB1 ALA 52 -33.837 15.716 29.654 353 HB3 ALA 52 HB2 ALA 52 -33.815 14.213 30.573 354 HB2 ALA 52 HB3 ALA 52 -35.352 15.001 30.206 355 H GLN 53 H GLN 53 -36.881 13.184 28.929 356 HA GLN 53 HA GLN 53 -36.253 10.644 30.147 357 HB2 GLN 53 HB2 GLN 53 -38.828 11.616 28.887 358 HB3 GLN 53 HB3 GLN 53 -38.675 10.106 29.785 359 HG2 GLN 53 HG2 GLN 53 -37.996 11.320 31.791 360 HG3 GLN 53 HG3 GLN 53 -38.008 12.845 30.903 361 HE21 GLN 53 HE21 GLN 53 -39.861 11.083 33.023 362 HE22 GLN 53 HE22 GLN 53 -41.402 11.646 32.591 363 H LEU 54 H LEU 54 -37.107 11.545 26.802 364 HA LEU 54 HA LEU 54 -37.232 8.863 25.807 365 HB2 LEU 54 HB2 LEU 54 -36.876 11.563 24.604 366 HB3 LEU 54 HB3 LEU 54 -36.353 10.192 23.629 367 HG LEU 54 HG LEU 54 -38.550 9.211 23.682 368 HD12 LEU 54 HD11 LEU 54 -40.339 10.693 24.997 369 HD11 LEU 54 HD12 LEU 54 -38.916 11.121 25.952 370 HD13 LEU 54 HD13 LEU 54 -39.409 9.435 25.811 371 HD22 LEU 54 HD21 LEU 54 -38.419 11.003 22.037 372 HD21 LEU 54 HD22 LEU 54 -38.735 12.224 23.271 373 HD23 LEU 54 HD23 LEU 54 -40.003 11.092 22.804 374 H GLU 55 H GLU 55 -34.558 11.133 26.207 375 HA GLU 55 HA GLU 55 -32.553 9.554 24.943 376 HB2 GLU 55 HB2 GLU 55 -32.415 11.599 27.164 377 HB3 GLU 55 HB3 GLU 55 -30.978 10.845 26.473 378 HG2 GLU 55 HG2 GLU 55 -33.065 12.279 24.816 379 HG3 GLU 55 HG3 GLU 55 -31.603 13.057 25.422 380 H THR 56 H THR 56 -33.824 9.524 28.259 381 HA THR 56 HA THR 56 -31.876 7.746 29.350 382 HB THR 56 HB THR 56 -33.618 7.287 31.084 383 HG1 THR 56 HG1 THR 56 -35.628 7.710 30.669 384 HG23 THR 56 HG21 THR 56 -32.427 9.239 31.614 385 HG22 THR 56 HG22 THR 56 -34.083 9.839 31.598 386 HG21 THR 56 HG23 THR 56 -33.030 10.119 30.214 387 H ILE 57 H ILE 57 -34.979 7.162 27.719 388 HA ILE 57 HA ILE 57 -35.018 4.330 28.070 389 HB ILE 57 HB ILE 57 -36.172 5.926 25.762 390 HG12 ILE 57 HG12 ILE 57 -37.473 5.091 28.374 391 HG13 ILE 57 HG13 ILE 57 -36.805 6.696 28.097 392 HG22 ILE 57 HG21 ILE 57 -37.827 4.011 25.778 393 HG21 ILE 57 HG22 ILE 57 -36.774 3.192 26.930 394 HG23 ILE 57 HG23 ILE 57 -36.192 3.544 25.303 395 HD12 ILE 57 HD11 ILE 57 -39.250 5.421 26.872 396 HD11 ILE 57 HD12 ILE 57 -38.391 6.649 25.940 397 HD13 ILE 57 HD13 ILE 57 -39.058 7.050 27.523 398 H LYS 58 H LYS 58 -33.561 6.385 25.581 399 HA LYS 58 HA LYS 58 -32.780 4.420 23.710 400 HB2 LYS 58 HB2 LYS 58 -32.584 6.883 23.395 401 HB3 LYS 58 HB3 LYS 58 -31.298 6.918 24.590 402 HG2 LYS 58 HG2 LYS 58 -31.041 5.113 22.195 403 HG3 LYS 58 HG3 LYS 58 -30.693 6.826 22.032 404 HD2 LYS 58 HD2 LYS 58 -29.400 6.005 24.406 405 HD3 LYS 58 HD3 LYS 58 -29.060 4.750 23.218 406 HE2 LYS 58 HE2 LYS 58 -27.339 6.520 23.129 407 HE3 LYS 58 HE3 LYS 58 -28.259 6.493 21.626 408 HZ2 LYS 58 HZ1 LYS 58 -27.978 8.744 22.481 409 HZ1 LYS 58 HZ2 LYS 58 -28.769 8.312 23.919 410 HZ3 LYS 58 HZ3 LYS 58 -29.616 8.303 22.446 411 H THR 59 H THR 59 -30.912 5.726 26.467 412 HA THR 59 HA THR 59 -28.637 4.096 26.140 413 HB THR 59 HB THR 59 -28.287 4.535 28.623 414 HG1 THR 59 HG1 THR 59 -30.368 4.621 29.326 415 HG23 THR 59 HG21 THR 59 -27.924 6.905 28.342 416 HG22 THR 59 HG22 THR 59 -29.118 6.992 27.039 417 HG21 THR 59 HG23 THR 59 -27.593 6.141 26.784 418 H LYS 60 H LYS 60 -31.703 3.358 27.736 419 HA LYS 60 HA LYS 60 -30.764 0.927 28.986 420 HB2 LYS 60 HB2 LYS 60 -32.840 2.079 29.716 421 HB3 LYS 60 HB3 LYS 60 -33.590 1.668 28.171 422 HG2 LYS 60 HG2 LYS 60 -34.268 0.020 29.821 423 HG3 LYS 60 HG3 LYS 60 -33.177 -0.745 28.664 424 HD2 LYS 60 HD2 LYS 60 -31.378 -0.765 30.185 425 HD3 LYS 60 HD3 LYS 60 -32.118 0.464 31.209 426 HE2 LYS 60 HE2 LYS 60 -33.373 -2.255 30.802 427 HE3 LYS 60 HE3 LYS 60 -32.211 -1.940 32.090 428 HZ1 LYS 60 HZ1 LYS 60 -33.693 -0.046 32.748 429 HZ3 LYS 60 HZ2 LYS 60 -34.349 -1.594 32.991 430 HZ2 LYS 60 HZ3 LYS 60 -34.848 -0.653 31.668 431 H ALA 61 H ALA 61 -32.235 1.695 25.879 432 HA ALA 61 HA ALA 61 -32.641 -1.011 25.026 433 HB2 ALA 61 HB1 ALA 61 -31.984 1.196 23.084 434 HB3 ALA 61 HB2 ALA 61 -33.461 1.303 24.035 435 HB1 ALA 61 HB3 ALA 61 -33.205 -0.071 22.960 436 H GLY 62 H GLY 62 -29.929 1.261 24.582 437 HA3 GLY 62 HA2 GLY 62 -28.333 -0.410 22.945 438 HA2 GLY 62 HA3 GLY 62 -27.706 0.864 23.985 439 H GLU 63 H GLU 63 -28.223 -0.024 26.502 440 HA GLU 63 HA GLU 63 -26.254 -2.114 26.806 441 HB2 GLU 63 HB2 GLU 63 -28.197 -0.860 28.759 442 HB3 GLU 63 HB3 GLU 63 -26.964 -2.032 29.226 443 HG2 GLU 63 HG2 GLU 63 -25.201 -0.565 28.382 444 HG3 GLU 63 HG3 GLU 63 -26.409 0.596 27.827 445 H THR 64 H THR 64 -29.810 -2.046 27.219 446 HA THR 64 HA THR 64 -30.079 -4.745 28.035 447 HB THR 64 HB THR 64 -32.074 -3.035 26.524 448 HG1 THR 64 HG1 THR 64 -31.289 -3.136 29.234 449 HG21 THR 64 HG21 THR 64 -32.341 -5.392 28.397 450 HG23 THR 64 HG22 THR 64 -32.859 -5.299 26.713 451 HG22 THR 64 HG23 THR 64 -33.694 -4.356 27.950 452 H PHE 65 H PHE 65 -30.981 -3.426 24.807 453 HA PHE 65 HA PHE 65 -30.772 -6.186 23.729 454 HB2 PHE 65 HB2 PHE 65 -32.054 -3.643 22.773 455 HB3 PHE 65 HB3 PHE 65 -31.790 -4.992 21.666 456 HD1 PHE 65 HD1 PHE 65 -33.619 -3.821 24.641 457 HD2 PHE 65 HD2 PHE 65 -32.940 -7.158 21.995 458 HE1 PHE 65 HE1 PHE 65 -35.623 -4.971 25.565 459 HE2 PHE 65 HE2 PHE 65 -34.940 -8.300 22.922 460 HZ PHE 65 HZ PHE 65 -36.281 -7.206 24.705 461 H GLY 66 H GLY 66 -29.500 -2.913 22.858 462 HA3 GLY 66 HA2 GLY 66 -26.924 -3.288 22.379 463 HA2 GLY 66 HA3 GLY 66 -27.540 -4.291 21.072 464 H GLU 67 H GLU 67 -26.228 -2.690 19.846 465 HA GLU 67 HA GLU 67 -27.091 0.056 19.555 466 HB2 GLU 67 HB2 GLU 67 -25.408 -1.734 17.775 467 HB3 GLU 67 HB3 GLU 67 -25.681 -0.020 17.461 468 HG2 GLU 67 HG2 GLU 67 -24.676 0.556 19.635 469 HG3 GLU 67 HG3 GLU 67 -24.440 -1.156 19.986 470 H GLU 68 H GLU 68 -28.123 -2.959 18.179 471 HA GLU 68 HA GLU 68 -29.355 -2.038 15.787 472 HB2 GLU 68 HB2 GLU 68 -30.607 -4.120 15.858 473 HB3 GLU 68 HB3 GLU 68 -28.968 -4.440 16.421 474 HG2 GLU 68 HG2 GLU 68 -31.376 -3.954 18.196 475 HG3 GLU 68 HG3 GLU 68 -30.637 -5.526 17.890 476 H LYS 69 H LYS 69 -30.467 -2.119 19.134 477 HA LYS 69 HA LYS 69 -33.096 -0.985 18.349 478 HB2 LYS 69 HB2 LYS 69 -32.010 -2.316 20.786 479 HB3 LYS 69 HB3 LYS 69 -33.350 -1.194 20.979 480 HG2 LYS 69 HG2 LYS 69 -34.392 -2.575 18.976 481 HG3 LYS 69 HG3 LYS 69 -33.265 -3.817 19.516 482 HD2 LYS 69 HD2 LYS 69 -34.244 -3.679 21.808 483 HD3 LYS 69 HD3 LYS 69 -35.375 -2.453 21.236 484 HE2 LYS 69 HE2 LYS 69 -35.214 -5.177 19.936 485 HE3 LYS 69 HE3 LYS 69 -36.250 -4.867 21.328 486 HZ3 LYS 69 HZ1 LYS 69 -37.582 -3.459 20.143 487 HZ2 LYS 69 HZ2 LYS 69 -37.133 -4.539 18.909 488 HZ1 LYS 69 HZ3 LYS 69 -36.366 -3.029 19.044 489 H GLU 70 H GLU 70 -30.068 -0.028 19.724 490 HA GLU 70 HA GLU 70 -30.983 2.245 21.210 491 HB2 GLU 70 HB2 GLU 70 -28.751 2.710 21.513 492 HB3 GLU 70 HB3 GLU 70 -28.617 1.031 21.007 493 HG2 GLU 70 HG2 GLU 70 -27.045 2.205 19.664 494 HG3 GLU 70 HG3 GLU 70 -28.436 1.919 18.619 495 H ALA 71 H ALA 71 -29.823 1.911 17.854 496 HA ALA 71 HA ALA 71 -29.969 4.721 17.289 497 HB3 ALA 71 HB1 ALA 71 -28.584 3.370 15.886 498 HB2 ALA 71 HB2 ALA 71 -29.897 3.979 14.881 499 HB1 ALA 71 HB3 ALA 71 -29.933 2.315 15.466 500 H ILE 72 H ILE 72 -32.438 2.195 17.170 501 HA ILE 72 HA ILE 72 -34.225 3.617 15.446 502 HB ILE 72 HB ILE 72 -36.053 2.300 16.288 503 HG12 ILE 72 HG12 ILE 72 -35.183 0.817 18.443 504 HG13 ILE 72 HG13 ILE 72 -34.426 2.378 18.754 505 HG21 ILE 72 HG21 ILE 72 -33.413 0.743 16.356 506 HG23 ILE 72 HG22 ILE 72 -34.463 0.963 14.973 507 HG22 ILE 72 HG23 ILE 72 -34.998 -0.021 16.331 508 HD11 ILE 72 HD11 ILE 72 -36.674 3.458 18.443 509 HD13 ILE 72 HD12 ILE 72 -36.613 2.379 19.829 510 HD12 ILE 72 HD13 ILE 72 -37.382 1.852 18.346 511 H PHE 73 H PHE 73 -33.639 3.898 18.939 512 HA PHE 73 HA PHE 73 -35.750 5.805 19.402 513 HB2 PHE 73 HB2 PHE 73 -33.194 5.168 20.867 514 HB3 PHE 73 HB3 PHE 73 -34.278 6.450 21.412 515 HD1 PHE 73 HD1 PHE 73 -33.753 2.850 21.128 516 HD2 PHE 73 HD2 PHE 73 -36.643 5.911 22.026 517 HE1 PHE 73 HE1 PHE 73 -35.198 1.159 22.239 518 HE2 PHE 73 HE2 PHE 73 -38.086 4.224 23.141 519 HZ PHE 73 HZ PHE 73 -37.353 1.847 23.248 520 H GLU 74 H GLU 74 -32.345 6.180 18.422 521 HA GLU 74 HA GLU 74 -32.263 9.009 18.662 522 HB2 GLU 74 HB2 GLU 74 -30.282 7.530 18.214 523 HB3 GLU 74 HB3 GLU 74 -30.864 7.329 16.562 524 HG2 GLU 74 HG2 GLU 74 -30.731 9.754 16.190 525 HG3 GLU 74 HG3 GLU 74 -30.192 9.990 17.854 526 H GLY 75 H GLY 75 -33.402 6.927 16.010 527 HA3 GLY 75 HA2 GLY 75 -33.904 9.042 14.148 528 HA2 GLY 75 HA3 GLY 75 -34.717 7.476 14.138 529 H HIS 76 H HIS 76 -36.007 7.447 16.545 530 HA HIS 76 HA HIS 76 -38.327 9.027 16.054 531 HB2 HIS 76 HB2 HIS 76 -37.338 7.603 18.532 532 HB3 HIS 76 HB3 HIS 76 -38.905 8.407 18.457 533 HD1 HIS 76 HD1 HIS 76 -37.632 6.709 15.398 534 HD2 HIS 76 HD2 HIS 76 -40.250 5.829 18.526 535 HE1 HIS 76 HE1 HIS 76 -38.917 4.638 14.699 536 HE2 HIS 76 HE2 HIS 76 -40.512 4.096 16.597 537 H ILE 77 H ILE 77 -35.644 9.468 18.356 538 HA ILE 77 HA ILE 77 -36.672 11.925 19.447 539 HB ILE 77 HB ILE 77 -34.072 10.468 19.529 540 HG12 ILE 77 HG12 ILE 77 -36.046 10.388 21.207 541 HG13 ILE 77 HG13 ILE 77 -34.426 10.586 21.869 542 HG22 ILE 77 HG21 ILE 77 -33.093 12.536 20.731 543 HG21 ILE 77 HG22 ILE 77 -34.369 13.457 19.931 544 HG23 ILE 77 HG23 ILE 77 -33.165 12.598 18.971 545 HD12 ILE 77 HD11 ILE 77 -36.540 12.222 22.526 546 HD11 ILE 77 HD12 ILE 77 -35.818 13.145 21.204 547 HD13 ILE 77 HD13 ILE 77 -34.854 12.732 22.616 548 H MET 78 H MET 78 -34.248 11.266 16.868 549 HA MET 78 HA MET 78 -33.683 13.967 16.276 550 HB2 MET 78 HB2 MET 78 -32.421 11.945 15.475 551 HB3 MET 78 HB3 MET 78 -33.730 11.635 14.341 552 HG2 MET 78 HG2 MET 78 -33.350 13.795 13.264 553 HG3 MET 78 HG3 MET 78 -32.113 14.197 14.456 554 HE1 MET 78 HE1 MET 78 -31.324 14.823 12.188 555 HE3 MET 78 HE2 MET 78 -30.587 13.764 10.982 556 HE2 MET 78 HE3 MET 78 -29.689 14.211 12.429 557 H LEU 79 H LEU 79 -36.236 11.826 15.067 558 HA LEU 79 HA LEU 79 -37.258 13.649 13.111 559 HB2 LEU 79 HB2 LEU 79 -37.846 11.232 13.213 560 HB3 LEU 79 HB3 LEU 79 -38.774 11.542 14.672 561 HG LEU 79 HG LEU 79 -40.155 13.180 13.386 562 HD11 LEU 79 HD11 LEU 79 -38.299 12.347 11.181 563 HD13 LEU 79 HD12 LEU 79 -38.999 13.924 11.522 564 HD12 LEU 79 HD13 LEU 79 -39.979 12.671 10.776 565 HD21 LEU 79 HD21 LEU 79 -40.867 10.806 13.802 566 HD23 LEU 79 HD22 LEU 79 -40.223 10.358 12.232 567 HD22 LEU 79 HD23 LEU 79 -41.578 11.469 12.333 568 H LEU 80 H LEU 80 -37.970 13.119 16.515 569 HA LEU 80 HA LEU 80 -40.212 14.867 16.664 570 HB2 LEU 80 HB2 LEU 80 -39.956 13.417 18.501 571 HB3 LEU 80 HB3 LEU 80 -38.252 13.815 18.697 572 HG LEU 80 HG LEU 80 -40.121 16.099 18.988 573 HD13 LEU 80 HD11 LEU 80 -41.514 14.659 20.239 574 HD12 LEU 80 HD12 LEU 80 -40.436 15.315 21.471 575 HD11 LEU 80 HD13 LEU 80 -40.155 13.702 20.818 576 HD21 LEU 80 HD21 LEU 80 -37.567 15.981 19.334 577 HD23 LEU 80 HD22 LEU 80 -37.934 15.136 20.839 578 HD22 LEU 80 HD23 LEU 80 -38.513 16.782 20.589 579 H GLU 81 H GLU 81 -36.732 15.444 17.054 580 HA GLU 81 HA GLU 81 -37.146 18.269 17.728 581 HB2 GLU 81 HB2 GLU 81 -35.179 16.693 18.445 582 HB3 GLU 81 HB3 GLU 81 -34.512 17.096 16.865 583 HG2 GLU 81 HG2 GLU 81 -33.607 18.695 18.405 584 HG3 GLU 81 HG3 GLU 81 -34.845 19.546 17.482 585 H ASP 82 H ASP 82 -37.596 16.706 14.900 586 HA ASP 82 HA ASP 82 -36.033 17.974 12.947 587 HB2 ASP 82 HB2 ASP 82 -37.875 17.594 11.396 588 HB3 ASP 82 HB3 ASP 82 -37.773 16.224 12.497 589 H GLU 83 H GLU 83 -35.838 20.050 12.276 590 HA GLU 83 HA GLU 83 -37.012 22.218 13.688 591 HB2 GLU 83 HB2 GLU 83 -34.905 22.316 12.327 592 HB3 GLU 83 HB3 GLU 83 -35.896 22.306 10.867 593 HG2 GLU 83 HG2 GLU 83 -37.023 24.371 11.612 594 HG3 GLU 83 HG3 GLU 83 -36.063 24.361 13.089 595 H GLU 84 H GLU 84 -38.316 20.315 11.104 596 HA GLU 84 HA GLU 84 -40.123 22.331 10.058 597 HB2 GLU 84 HB2 GLU 84 -40.158 19.303 9.946 598 HB3 GLU 84 HB3 GLU 84 -41.316 20.329 9.097 599 HG2 GLU 84 HG2 GLU 84 -39.493 21.413 7.865 600 HG3 GLU 84 HG3 GLU 84 -38.307 20.447 8.746 601 H LEU 85 H LEU 85 -40.238 19.921 12.587 602 HA LEU 85 HA LEU 85 -43.080 20.182 13.166 603 HB2 LEU 85 HB2 LEU 85 -41.843 18.202 13.879 604 HB3 LEU 85 HB3 LEU 85 -40.797 19.191 14.891 605 HG LEU 85 HG LEU 85 -43.698 19.541 15.374 606 HD12 LEU 85 HD11 LEU 85 -42.262 16.979 16.126 607 HD11 LEU 85 HD12 LEU 85 -43.576 17.112 14.961 608 HD13 LEU 85 HD13 LEU 85 -43.872 17.450 16.663 609 HD21 LEU 85 HD21 LEU 85 -41.316 19.023 17.194 610 HD23 LEU 85 HD22 LEU 85 -42.931 19.488 17.731 611 HD22 LEU 85 HD23 LEU 85 -41.954 20.606 16.777 612 H GLU 86 H GLU 86 -40.144 21.651 14.482 613 HA GLU 86 HA GLU 86 -41.362 23.049 16.632 614 HB2 GLU 86 HB2 GLU 86 -38.880 22.787 16.215 615 HB3 GLU 86 HB3 GLU 86 -39.029 24.026 14.967 616 HG2 GLU 86 HG2 GLU 86 -39.898 25.617 16.637 617 HG3 GLU 86 HG3 GLU 86 -39.758 24.381 17.888 618 H GLN 87 H GLN 87 -40.723 24.119 13.287 619 HA GLN 87 HA GLN 87 -41.977 26.688 13.648 620 HB2 GLN 87 HB2 GLN 87 -41.409 25.084 11.138 621 HB3 GLN 87 HB3 GLN 87 -41.922 26.775 11.155 622 HG2 GLN 87 HG2 GLN 87 -39.445 25.768 12.590 623 HG3 GLN 87 HG3 GLN 87 -39.423 26.455 10.963 624 HE21 GLN 87 HE21 GLN 87 -41.088 28.628 11.092 625 HE22 GLN 87 HE22 GLN 87 -40.580 29.724 12.285 626 H GLU 88 H GLU 88 -43.161 23.578 12.345 627 HA GLU 88 HA GLU 88 -45.726 24.618 11.551 628 HB2 GLU 88 HB2 GLU 88 -44.590 21.874 11.949 629 HB3 GLU 88 HB3 GLU 88 -46.324 22.070 11.696 630 HG2 GLU 88 HG2 GLU 88 -45.108 21.721 9.555 631 HG3 GLU 88 HG3 GLU 88 -45.906 23.291 9.607 632 H ILE 89 H ILE 89 -44.649 23.009 14.540 633 HA ILE 89 HA ILE 89 -47.298 22.835 15.666 634 HB ILE 89 HB ILE 89 -46.113 22.485 17.821 635 HG12 ILE 89 HG12 ILE 89 -43.426 22.365 17.056 636 HG13 ILE 89 HG13 ILE 89 -44.013 23.846 16.311 637 HG23 ILE 89 HG21 ILE 89 -46.307 20.485 16.575 638 HG22 ILE 89 HG22 ILE 89 -44.588 20.567 16.949 639 HG21 ILE 89 HG23 ILE 89 -45.167 21.030 15.349 640 HD13 ILE 89 HD11 ILE 89 -44.778 24.698 18.449 641 HD12 ILE 89 HD12 ILE 89 -43.107 24.163 18.654 642 HD11 ILE 89 HD13 ILE 89 -44.435 23.163 19.236 643 H ILE 90 H ILE 90 -44.666 25.180 16.006 644 HA ILE 90 HA ILE 90 -46.066 26.939 17.791 645 HB ILE 90 HB ILE 90 -44.275 28.543 17.204 646 HG12 ILE 90 HG12 ILE 90 -42.505 27.343 15.585 647 HG13 ILE 90 HG13 ILE 90 -43.967 26.592 14.949 648 HG21 ILE 90 HG21 ILE 90 -43.952 26.504 18.761 649 HG23 ILE 90 HG22 ILE 90 -42.495 27.308 18.164 650 HG22 ILE 90 HG23 ILE 90 -43.044 25.801 17.426 651 HD12 ILE 90 HD11 ILE 90 -42.966 29.277 14.509 652 HD11 ILE 90 HD12 ILE 90 -44.582 29.346 15.215 653 HD13 ILE 90 HD13 ILE 90 -44.307 28.450 13.721 654 H ALA 91 H ALA 91 -45.779 26.864 14.254 655 HA ALA 91 HA ALA 91 -46.971 29.385 13.751 656 HB3 ALA 91 HB1 ALA 91 -45.810 27.996 12.040 657 HB2 ALA 91 HB2 ALA 91 -47.392 28.566 11.499 658 HB1 ALA 91 HB3 ALA 91 -47.189 26.898 12.042 659 H LEU 92 H LEU 92 -48.559 26.170 13.965 660 HA LEU 92 HA LEU 92 -51.186 27.121 13.429 661 HB2 LEU 92 HB2 LEU 92 -50.020 24.718 14.780 662 HB3 LEU 92 HB3 LEU 92 -51.744 25.022 14.988 663 HG LEU 92 HG LEU 92 -51.815 25.273 12.403 664 HD13 LEU 92 HD11 LEU 92 -50.042 24.341 11.140 665 HD12 LEU 92 HD12 LEU 92 -49.309 23.593 12.560 666 HD11 LEU 92 HD13 LEU 92 -49.240 25.343 12.348 667 HD22 LEU 92 HD21 LEU 92 -52.825 23.335 13.462 668 HD21 LEU 92 HD22 LEU 92 -51.258 22.599 13.750 669 HD23 LEU 92 HD23 LEU 92 -51.869 22.743 12.106 670 H ILE 93 H ILE 93 -49.491 26.695 16.543 671 HA ILE 93 HA ILE 93 -51.652 27.569 18.198 672 HB ILE 93 HB ILE 93 -48.668 27.931 18.664 673 HG12 ILE 93 HG12 ILE 93 -50.477 25.657 19.579 674 HG13 ILE 93 HG13 ILE 93 -49.436 25.557 18.163 675 HG22 ILE 93 HG21 ILE 93 -49.370 27.945 21.073 676 HG21 ILE 93 HG22 ILE 93 -51.049 27.866 20.566 677 HG23 ILE 93 HG23 ILE 93 -50.075 29.280 20.169 678 HD12 ILE 93 HD11 ILE 93 -48.623 25.839 21.056 679 HD11 ILE 93 HD12 ILE 93 -47.503 26.208 19.748 680 HD13 ILE 93 HD13 ILE 93 -48.159 24.590 19.903 681 H LYS 94 H LYS 94 -48.908 29.314 16.808 682 HA LYS 94 HA LYS 94 -49.787 31.911 17.737 683 HB2 LYS 94 HB2 LYS 94 -47.834 31.133 15.560 684 HB3 LYS 94 HB3 LYS 94 -48.187 32.808 15.977 685 HG2 LYS 94 HG2 LYS 94 -47.559 32.227 18.373 686 HG3 LYS 94 HG3 LYS 94 -46.976 30.682 17.771 687 HD2 LYS 94 HD2 LYS 94 -45.055 31.615 16.932 688 HD3 LYS 94 HD3 LYS 94 -45.915 32.966 16.212 689 HE2 LYS 94 HE2 LYS 94 -46.002 34.097 18.395 690 HE3 LYS 94 HE3 LYS 94 -45.194 32.726 19.150 691 HZ2 LYS 94 HZ1 LYS 94 -43.860 34.813 18.318 692 HZ1 LYS 94 HZ2 LYS 94 -43.906 33.981 16.839 693 HZ3 LYS 94 HZ3 LYS 94 -43.210 33.246 18.206 694 H ASP 95 H ASP 95 -50.171 30.221 14.618 695 HA ASP 95 HA ASP 95 -51.613 32.501 13.483 696 HB2 ASP 95 HB2 ASP 95 -50.199 30.923 12.134 697 HB3 ASP 95 HB3 ASP 95 -51.438 29.691 12.378 698 H LYS 96 H LYS 96 -52.597 29.176 14.372 699 HA LYS 96 HA LYS 96 -55.427 29.989 14.012 700 HB2 LYS 96 HB2 LYS 96 -54.202 27.300 14.667 701 HB3 LYS 96 HB3 LYS 96 -55.927 27.595 14.483 702 HG2 LYS 96 HG2 LYS 96 -54.871 28.760 12.160 703 HG3 LYS 96 HG3 LYS 96 -53.844 27.352 12.394 704 HD2 LYS 96 HD2 LYS 96 -55.703 25.852 12.307 705 HD3 LYS 96 HD3 LYS 96 -56.872 27.163 12.467 706 HE2 LYS 96 HE2 LYS 96 -56.870 26.554 10.156 707 HE3 LYS 96 HE3 LYS 96 -55.973 28.065 10.255 708 HZ2 LYS 96 HZ1 LYS 96 -54.875 25.322 10.038 709 HZ1 LYS 96 HZ2 LYS 96 -53.922 26.679 10.406 710 HZ3 LYS 96 HZ3 LYS 96 -54.725 26.590 8.916 711 H HIS 97 H HIS 97 -53.328 30.213 16.585 712 HA HIS 97 HA HIS 97 -53.658 30.469 18.894 713 HB2 HIS 97 HB2 HIS 97 -56.545 30.998 18.151 714 HB3 HIS 97 HB3 HIS 97 -55.646 31.643 19.526 715 HD1 HIS 97 HD1 HIS 97 -57.000 33.423 17.257 716 HD2 HIS 97 HD2 HIS 97 -52.961 32.409 17.462 717 HE1 HIS 97 HE1 HIS 97 -55.750 35.176 15.917 718 HE2 HIS 97 HE2 HIS 97 -53.285 34.572 16.038 719 H MET 98 H MET 98 -53.812 27.878 17.872 720 HA MET 98 HA MET 98 -56.025 26.502 19.311 721 HB2 MET 98 HB2 MET 98 -53.814 25.542 17.486 722 HB3 MET 98 HB3 MET 98 -54.924 24.435 18.303 723 HG2 MET 98 HG2 MET 98 -56.819 25.357 17.174 724 HG3 MET 98 HG3 MET 98 -55.897 26.747 16.613 725 HE2 MET 98 HE1 MET 98 -56.502 22.766 14.615 726 HE1 MET 98 HE2 MET 98 -57.593 23.809 15.537 727 HE3 MET 98 HE3 MET 98 -56.366 22.854 16.368 728 H THR 99 H THR 99 -55.334 24.502 20.657 729 HA THR 99 HA THR 99 -53.427 25.421 22.683 730 HB THR 99 HB THR 99 -54.101 23.354 23.882 731 HG1 THR 99 HG1 THR 99 -55.822 22.149 22.821 732 HG22 THR 99 HG21 THR 99 -56.644 23.877 23.842 733 HG21 THR 99 HG22 THR 99 -56.210 25.163 22.714 734 HG23 THR 99 HG23 THR 99 -55.537 25.156 24.345 735 H ALA 100 H ALA 100 -51.609 24.034 23.418 736 HA ALA 100 HA ALA 100 -49.951 23.193 21.222 737 HB2 ALA 100 HB1 ALA 100 -48.478 22.292 23.078 738 HB3 ALA 100 HB2 ALA 100 -49.714 22.838 24.214 739 HB1 ALA 100 HB3 ALA 100 -48.874 24.008 23.195 740 H ASP 101 H ASP 101 -51.866 21.355 23.620 741 HA ASP 101 HA ASP 101 -50.896 18.807 22.672 742 HB2 ASP 101 HB2 ASP 101 -53.058 17.984 23.875 743 HB3 ASP 101 HB3 ASP 101 -51.764 18.686 24.843 744 H ALA 102 H ALA 102 -53.619 20.890 21.785 745 HA ALA 102 HA ALA 102 -54.760 18.850 20.008 746 HB1 ALA 102 HB1 ALA 102 -56.082 20.734 21.151 747 HB2 ALA 102 HB2 ALA 102 -56.406 20.476 19.436 748 HB3 ALA 102 HB3 ALA 102 -55.370 21.809 19.946 749 H ALA 103 H ALA 103 -52.791 21.787 19.669 750 HA ALA 103 HA ALA 103 -52.727 21.700 16.783 751 HB3 ALA 103 HB1 ALA 103 -52.234 23.769 18.038 752 HB2 ALA 103 HB2 ALA 103 -50.883 23.329 16.997 753 HB1 ALA 103 HB3 ALA 103 -50.798 23.004 18.731 754 H ALA 104 H ALA 104 -50.423 20.609 19.290 755 HA ALA 104 HA ALA 104 -48.444 19.636 17.481 756 HB1 ALA 104 HB1 ALA 104 -48.027 19.937 19.895 757 HB2 ALA 104 HB2 ALA 104 -47.650 18.289 19.392 758 HB3 ALA 104 HB3 ALA 104 -49.149 18.624 20.254 759 H HIS 105 H HIS 105 -51.316 18.091 18.845 760 HA HIS 105 HA HIS 105 -50.826 15.443 17.946 761 HB2 HIS 105 HB2 HIS 105 -52.700 16.117 19.472 762 HB3 HIS 105 HB3 HIS 105 -53.520 16.829 18.092 763 HD1 HIS 105 HD1 HIS 105 -55.393 14.948 18.685 764 HD2 HIS 105 HD2 HIS 105 -51.785 13.538 17.137 765 HE1 HIS 105 HE1 HIS 105 -55.832 12.584 17.883 766 HE2 HIS 105 HE2 HIS 105 -53.641 11.715 16.942 767 H GLU 106 H GLU 106 -52.336 18.191 16.286 768 HA GLU 106 HA GLU 106 -53.150 16.767 13.954 769 HB2 GLU 106 HB2 GLU 106 -53.873 19.087 14.649 770 HB3 GLU 106 HB3 GLU 106 -52.303 19.667 14.096 771 HG2 GLU 106 HG2 GLU 106 -53.823 19.994 12.273 772 HG3 GLU 106 HG3 GLU 106 -52.830 18.601 11.849 773 H VAL 107 H VAL 107 -50.118 18.433 14.740 774 HA VAL 107 HA VAL 107 -48.945 18.208 12.156 775 HB VAL 107 HB VAL 107 -47.627 18.328 14.878 776 HG12 VAL 107 HG11 VAL 107 -45.718 19.277 13.468 777 HG11 VAL 107 HG12 VAL 107 -46.559 18.624 12.062 778 HG13 VAL 107 HG13 VAL 107 -45.982 17.541 13.330 779 HG23 VAL 107 HG21 VAL 107 -47.326 20.756 14.103 780 HG22 VAL 107 HG22 VAL 107 -48.965 20.281 14.551 781 HG21 VAL 107 HG23 VAL 107 -48.511 20.393 12.850 782 H ILE 108 H ILE 108 -48.388 16.099 15.019 783 HA ILE 108 HA ILE 108 -46.836 14.185 13.509 784 HB ILE 108 HB ILE 108 -48.403 13.731 16.062 785 HG12 ILE 108 HG12 ILE 108 -46.942 15.667 16.345 786 HG13 ILE 108 HG13 ILE 108 -46.273 14.299 17.227 787 HG21 ILE 108 HG21 ILE 108 -46.280 12.201 14.575 788 HG23 ILE 108 HG22 ILE 108 -47.705 11.598 15.424 789 HG22 ILE 108 HG23 ILE 108 -46.296 12.128 16.336 790 HD11 ILE 108 HD11 ILE 108 -44.903 13.887 15.024 791 HD13 ILE 108 HD12 ILE 108 -44.382 15.167 16.115 792 HD12 ILE 108 HD13 ILE 108 -45.300 15.564 14.673 793 H GLU 109 H GLU 109 -50.249 14.388 14.419 794 HA GLU 109 HA GLU 109 -51.006 11.822 13.342 795 HB2 GLU 109 HB2 GLU 109 -52.427 13.193 14.902 796 HB3 GLU 109 HB3 GLU 109 -52.728 14.309 13.565 797 HG2 GLU 109 HG2 GLU 109 -53.732 12.488 12.249 798 HG3 GLU 109 HG3 GLU 109 -53.393 11.350 13.551 799 H GLY 110 H GLY 110 -50.812 15.083 12.013 800 HA3 GLY 110 HA2 GLY 110 -52.029 14.619 9.495 801 HA2 GLY 110 HA3 GLY 110 -50.790 15.843 9.792 802 H GLN 111 H GLN 111 -48.539 14.334 10.380 803 HA GLN 111 HA GLN 111 -47.792 13.396 7.759 804 HB2 GLN 111 HB2 GLN 111 -46.486 13.497 10.433 805 HB3 GLN 111 HB3 GLN 111 -45.849 12.326 9.277 806 HG2 GLN 111 HG2 GLN 111 -46.288 15.243 8.600 807 HG3 GLN 111 HG3 GLN 111 -44.754 14.613 9.194 808 HE21 GLN 111 HE21 GLN 111 -45.902 15.605 6.386 809 HE22 GLN 111 HE22 GLN 111 -45.277 14.442 5.321 810 H ALA 112 H ALA 112 -48.299 11.611 10.833 811 HA ALA 112 HA ALA 112 -47.979 9.012 9.777 812 HB3 ALA 112 HB1 ALA 112 -48.895 8.245 11.763 813 HB1 ALA 112 HB2 ALA 112 -50.143 9.493 11.791 814 HB2 ALA 112 HB3 ALA 112 -48.484 9.893 12.241 815 H SER 113 H SER 113 -50.847 11.108 9.846 816 HA SER 113 HA SER 113 -52.699 9.231 8.790 817 HB2 SER 113 HB2 SER 113 -53.361 11.442 9.699 818 HB3 SER 113 HB3 SER 113 -52.604 12.229 8.317 819 HG SER 113 HG SER 113 -54.854 10.514 8.394 820 H ALA 114 H ALA 114 -50.414 11.413 7.158 821 HA ALA 114 HA ALA 114 -51.271 10.809 4.493 822 HB1 ALA 114 HB1 ALA 114 -48.496 11.587 5.456 823 HB3 ALA 114 HB2 ALA 114 -49.778 12.720 5.015 824 HB2 ALA 114 HB3 ALA 114 -49.073 11.664 3.790 825 H LEU 115 H LEU 115 -48.897 9.292 6.659 826 HA LEU 115 HA LEU 115 -47.859 7.446 4.737 827 HB2 LEU 115 HB2 LEU 115 -47.908 7.606 7.728 828 HB3 LEU 115 HB3 LEU 115 -47.473 6.067 6.983 829 HG LEU 115 HG LEU 115 -45.731 7.225 5.653 830 HD13 LEU 115 HD11 LEU 115 -46.782 9.436 5.557 831 HD12 LEU 115 HD12 LEU 115 -45.153 9.561 6.219 832 HD11 LEU 115 HD13 LEU 115 -46.550 9.632 7.291 833 HD23 LEU 115 HD21 LEU 115 -45.528 7.744 8.636 834 HD22 LEU 115 HD22 LEU 115 -44.170 7.682 7.517 835 HD21 LEU 115 HD23 LEU 115 -45.114 6.230 7.841 836 H GLU 116 H GLU 116 -50.660 7.176 6.983 837 HA GLU 116 HA GLU 116 -51.222 4.454 6.462 838 HB2 GLU 116 HB2 GLU 116 -52.776 6.810 7.418 839 HB3 GLU 116 HB3 GLU 116 -53.702 5.421 6.846 840 HG2 GLU 116 HG2 GLU 116 -52.359 3.960 8.374 841 HG3 GLU 116 HG3 GLU 116 -51.588 5.411 9.019 842 H GLU 117 H GLU 117 -52.037 7.368 4.630 843 HA GLU 117 HA GLU 117 -53.932 6.250 2.851 844 HB2 GLU 117 HB2 GLU 117 -51.792 8.339 2.330 845 HB3 GLU 117 HB3 GLU 117 -53.100 7.965 1.208 846 HG2 GLU 117 HG2 GLU 117 -54.763 8.564 2.915 847 HG3 GLU 117 HG3 GLU 117 -53.469 8.907 4.066 848 H LEU 118 H LEU 118 -50.529 5.648 3.182 849 HA LEU 118 HA LEU 118 -49.921 4.760 0.547 850 HB2 LEU 118 HB2 LEU 118 -48.833 4.155 3.273 851 HB3 LEU 118 HB3 LEU 118 -48.263 3.234 1.886 852 HG LEU 118 HG LEU 118 -46.916 5.329 2.479 853 HD11 LEU 118 HD11 LEU 118 -47.156 4.073 0.180 854 HD13 LEU 118 HD12 LEU 118 -46.341 5.637 0.243 855 HD12 LEU 118 HD13 LEU 118 -48.011 5.537 -0.299 856 HD23 LEU 118 HD21 LEU 118 -49.163 6.798 1.083 857 HD22 LEU 118 HD22 LEU 118 -47.798 7.484 1.971 858 HD21 LEU 118 HD23 LEU 118 -49.105 6.682 2.840 859 H ASP 119 H ASP 119 -50.021 2.675 -0.378 860 HA ASP 119 HA ASP 119 -52.046 0.869 0.856 861 HB2 ASP 119 HB2 ASP 119 -52.193 -0.123 -1.395 862 HB3 ASP 119 HB3 ASP 119 -52.401 1.624 -1.491 863 H ASP 120 H ASP 120 -49.430 0.858 2.040 864 HA ASP 120 HA ASP 120 -48.527 -1.915 1.313 865 HB2 ASP 120 HB2 ASP 120 -46.814 0.510 1.905 866 HB3 ASP 120 HB3 ASP 120 -46.194 -1.141 1.888 867 H GLU 121 H GLU 121 -48.318 -3.252 3.005 868 HA GLU 121 HA GLU 121 -49.205 -2.473 5.649 869 HB2 GLU 121 HB2 GLU 121 -48.662 -4.790 6.280 870 HB3 GLU 121 HB3 GLU 121 -49.560 -4.752 4.765 871 HG2 GLU 121 HG2 GLU 121 -47.367 -4.862 3.543 872 HG3 GLU 121 HG3 GLU 121 -46.565 -5.082 5.098 873 H TYR 122 H TYR 122 -46.067 -2.832 4.132 874 HA TYR 122 HA TYR 122 -44.511 -2.876 6.574 875 HB2 TYR 122 HB2 TYR 122 -43.775 -2.183 3.706 876 HB3 TYR 122 HB3 TYR 122 -42.618 -2.453 5.003 877 HD1 TYR 122 HD1 TYR 122 -44.606 -3.990 2.418 878 HD2 TYR 122 HD2 TYR 122 -42.672 -4.759 6.200 879 HE1 TYR 122 HE1 TYR 122 -44.654 -6.440 1.954 880 HE2 TYR 122 HE2 TYR 122 -42.714 -7.198 5.721 881 HH TYR 122 HH TYR 122 -44.611 -8.572 3.363 882 H LEU 123 H LEU 123 -45.539 -0.315 4.329 883 HA LEU 123 HA LEU 123 -44.024 1.751 5.708 884 HB2 LEU 123 HB2 LEU 123 -46.153 1.729 3.572 885 HB3 LEU 123 HB3 LEU 123 -45.689 3.245 4.346 886 HG LEU 123 HG LEU 123 -43.333 2.841 3.749 887 HD12 LEU 123 HD11 LEU 123 -42.920 0.958 2.037 888 HD11 LEU 123 HD12 LEU 123 -44.466 0.291 2.567 889 HD13 LEU 123 HD13 LEU 123 -43.141 0.474 3.717 890 HD22 LEU 123 HD21 LEU 123 -43.536 3.256 1.351 891 HD21 LEU 123 HD22 LEU 123 -44.865 4.067 2.167 892 HD23 LEU 123 HD23 LEU 123 -45.145 2.549 1.318 893 H LYS 124 H LYS 124 -47.281 0.441 5.855 894 HA LYS 124 HA LYS 124 -48.455 2.439 7.509 895 HB2 LYS 124 HB2 LYS 124 -49.027 -0.484 7.037 896 HB3 LYS 124 HB3 LYS 124 -49.972 0.457 8.192 897 HG2 LYS 124 HG2 LYS 124 -50.647 2.015 6.460 898 HG3 LYS 124 HG3 LYS 124 -49.570 1.245 5.294 899 HD2 LYS 124 HD2 LYS 124 -51.615 0.247 4.764 900 HD3 LYS 124 HD3 LYS 124 -50.937 -0.926 5.892 901 HE2 LYS 124 HE2 LYS 124 -53.236 -0.523 6.551 902 HE3 LYS 124 HE3 LYS 124 -52.207 0.265 7.748 903 HZ1 LYS 124 HZ1 LYS 124 -52.641 2.071 5.665 904 HZ3 LYS 124 HZ2 LYS 124 -53.184 2.172 7.269 905 HZ2 LYS 124 HZ3 LYS 124 -54.148 1.422 6.091 906 H GLU 125 H GLU 125 -46.653 -0.537 8.394 907 HA GLU 125 HA GLU 125 -47.079 -0.305 11.212 908 HB2 GLU 125 HB2 GLU 125 -44.726 -1.466 9.701 909 HB3 GLU 125 HB3 GLU 125 -44.935 -1.608 11.441 910 HG2 GLU 125 HG2 GLU 125 -47.030 -2.812 11.140 911 HG3 GLU 125 HG3 GLU 125 -46.953 -2.573 9.393 912 H ARG 126 H ARG 126 -44.478 1.048 9.155 913 HA ARG 126 HA ARG 126 -43.050 2.251 11.320 914 HB2 ARG 126 HB2 ARG 126 -42.422 2.037 8.754 915 HB3 ARG 126 HB3 ARG 126 -43.191 3.621 8.635 916 HG2 ARG 126 HG2 ARG 126 -41.699 4.507 10.368 917 HG3 ARG 126 HG3 ARG 126 -40.948 2.929 10.571 918 HD2 ARG 126 HD2 ARG 126 -40.299 3.047 8.121 919 HD3 ARG 126 HD3 ARG 126 -40.840 4.722 8.132 920 HE ARG 126 HE ARG 126 -39.070 4.608 10.246 921 HH21 ARG 126 HH11 ARG 126 -36.860 5.046 9.994 922 HH22 ARG 126 HH12 ARG 126 -36.100 4.747 8.470 923 HH11 ARG 126 HH21 ARG 126 -39.000 3.621 6.947 924 HH12 ARG 126 HH22 ARG 126 -37.309 3.940 6.749 925 H ALA 127 H ALA 127 -45.861 3.308 9.473 926 HA ALA 127 HA ALA 127 -46.002 5.968 10.517 927 HB2 ALA 127 HB1 ALA 127 -47.478 4.575 8.705 928 HB3 ALA 127 HB2 ALA 127 -48.031 6.068 9.450 929 HB1 ALA 127 HB3 ALA 127 -48.561 4.513 10.096 930 H ALA 128 H ALA 128 -46.713 2.836 11.844 931 HA ALA 128 HA ALA 128 -48.358 3.739 14.057 932 HB2 ALA 128 HB1 ALA 128 -48.185 1.525 14.880 933 HB3 ALA 128 HB2 ALA 128 -46.618 1.273 14.112 934 HB1 ALA 128 HB3 ALA 128 -48.082 1.329 13.129 935 H ASP 129 H ASP 129 -44.893 3.153 13.582 936 HA ASP 129 HA ASP 129 -44.118 3.647 16.302 937 HB2 ASP 129 HB2 ASP 129 -42.579 3.871 13.701 938 HB3 ASP 129 HB3 ASP 129 -41.835 4.068 15.287 939 H VAL 130 H VAL 130 -44.450 5.742 13.462 940 HA VAL 130 HA VAL 130 -43.430 8.109 14.762 941 HB VAL 130 HB VAL 130 -44.142 9.283 12.817 942 HG11 VAL 130 HG11 VAL 130 -42.673 7.059 12.537 943 HG13 VAL 130 HG12 VAL 130 -43.138 8.063 11.160 944 HG12 VAL 130 HG13 VAL 130 -44.047 6.597 11.535 945 HG22 VAL 130 HG21 VAL 130 -46.487 8.869 12.812 946 HG21 VAL 130 HG22 VAL 130 -46.256 7.127 12.679 947 HG23 VAL 130 HG23 VAL 130 -45.907 8.171 11.302 948 H ARG 131 H ARG 131 -46.677 6.732 14.357 949 HA ARG 131 HA ARG 131 -48.170 8.866 15.515 950 HB2 ARG 131 HB2 ARG 131 -49.145 6.881 14.320 951 HB3 ARG 131 HB3 ARG 131 -48.750 5.899 15.733 952 HG2 ARG 131 HG2 ARG 131 -50.114 7.492 17.132 953 HG3 ARG 131 HG3 ARG 131 -50.635 8.269 15.636 954 HD2 ARG 131 HD2 ARG 131 -51.092 5.380 16.427 955 HD3 ARG 131 HD3 ARG 131 -52.313 6.638 16.276 956 HE ARG 131 HE ARG 131 -50.969 6.456 13.783 957 HH21 ARG 131 HH11 ARG 131 -51.798 5.190 12.110 958 HH22 ARG 131 HH12 ARG 131 -52.956 3.953 12.470 959 HH11 ARG 131 HH21 ARG 131 -52.977 4.590 15.879 960 HH12 ARG 131 HH22 ARG 131 -53.625 3.614 14.599 961 H ASP 132 H ASP 132 -46.528 6.088 16.954 962 HA ASP 132 HA ASP 132 -47.439 6.373 19.627 963 HB2 ASP 132 HB2 ASP 132 -46.121 4.448 18.632 964 HB3 ASP 132 HB3 ASP 132 -44.679 5.448 18.805 965 H ILE 133 H ILE 133 -44.701 7.910 17.953 966 HA ILE 133 HA ILE 133 -43.521 9.122 20.229 967 HB ILE 133 HB ILE 133 -43.639 10.058 17.349 968 HG12 ILE 133 HG12 ILE 133 -41.381 8.731 18.887 969 HG13 ILE 133 HG13 ILE 133 -42.548 7.820 17.930 970 HG22 ILE 133 HG21 ILE 133 -41.467 11.287 18.173 971 HG21 ILE 133 HG22 ILE 133 -42.197 11.131 19.768 972 HG23 ILE 133 HG23 ILE 133 -43.034 12.016 18.497 973 HD12 ILE 133 HD11 ILE 133 -40.473 9.805 16.980 974 HD11 ILE 133 HD12 ILE 133 -41.877 9.421 15.980 975 HD13 ILE 133 HD13 ILE 133 -40.742 8.153 16.439 976 H GLY 134 H GLY 134 -46.065 10.364 18.043 977 HA3 GLY 134 HA2 GLY 134 -46.331 12.863 19.480 978 HA2 GLY 134 HA3 GLY 134 -47.476 12.231 18.302 979 H LYS 135 H LYS 135 -47.899 9.712 19.709 980 HA LYS 135 HA LYS 135 -50.107 10.434 21.350 981 HB2 LYS 135 HB2 LYS 135 -49.697 8.203 20.235 982 HB3 LYS 135 HB3 LYS 135 -48.506 7.850 21.481 983 HG2 LYS 135 HG2 LYS 135 -50.336 8.247 23.201 984 HG3 LYS 135 HG3 LYS 135 -51.478 8.316 21.856 985 HD2 LYS 135 HD2 LYS 135 -49.613 5.966 22.362 986 HD3 LYS 135 HD3 LYS 135 -51.284 6.027 22.917 987 HE2 LYS 135 HE2 LYS 135 -51.883 6.510 20.444 988 HE3 LYS 135 HE3 LYS 135 -50.251 5.946 20.085 989 HZ3 LYS 135 HZ1 LYS 135 -50.735 3.874 21.208 990 HZ2 LYS 135 HZ2 LYS 135 -51.863 4.146 19.967 991 HZ1 LYS 135 HZ3 LYS 135 -52.302 4.409 21.582 992 H ARG 136 H ARG 136 -46.810 9.352 22.283 993 HA ARG 136 HA ARG 136 -47.270 9.628 25.113 994 HB2 ARG 136 HB2 ARG 136 -45.475 8.227 24.092 995 HB3 ARG 136 HB3 ARG 136 -44.660 9.704 23.572 996 HG2 ARG 136 HG2 ARG 136 -44.431 10.446 25.889 997 HG3 ARG 136 HG3 ARG 136 -45.332 9.039 26.453 998 HD2 ARG 136 HD2 ARG 136 -43.578 7.570 25.446 999 HD3 ARG 136 HD3 ARG 136 -42.663 9.005 25.011 1000 HE ARG 136 HE ARG 136 -42.106 9.270 27.327 1001 HH21 ARG 136 HH11 ARG 136 -42.118 8.552 29.465 1002 HH22 ARG 136 HH12 ARG 136 -43.162 7.250 29.920 1003 HH11 ARG 136 HH21 ARG 136 -44.500 6.858 26.751 1004 HH12 ARG 136 HH22 ARG 136 -44.510 6.289 28.386 1005 H LEU 137 H LEU 137 -46.181 11.816 22.589 1006 HA LEU 137 HA LEU 137 -45.020 13.827 24.205 1007 HB2 LEU 137 HB2 LEU 137 -46.406 13.797 21.537 1008 HB3 LEU 137 HB3 LEU 137 -45.993 15.342 22.269 1009 HG LEU 137 HG LEU 137 -44.023 13.099 21.745 1010 HD11 LEU 137 HD11 LEU 137 -45.167 14.825 19.875 1011 HD13 LEU 137 HD12 LEU 137 -43.658 13.935 19.676 1012 HD12 LEU 137 HD13 LEU 137 -43.640 15.595 20.270 1013 HD22 LEU 137 HD21 LEU 137 -42.794 14.248 23.294 1014 HD21 LEU 137 HD22 LEU 137 -43.911 15.604 23.308 1015 HD23 LEU 137 HD23 LEU 137 -42.638 15.528 22.094 1016 H LEU 138 H LEU 138 -48.404 13.272 23.287 1017 HA LEU 138 HA LEU 138 -49.477 15.592 24.556 1018 HB2 LEU 138 HB2 LEU 138 -50.527 13.570 23.061 1019 HB3 LEU 138 HB3 LEU 138 -51.105 13.121 24.664 1020 HG LEU 138 HG LEU 138 -52.769 14.568 23.641 1021 HD12 LEU 138 HD11 LEU 138 -51.320 16.440 25.493 1022 HD11 LEU 138 HD12 LEU 138 -51.891 14.885 26.107 1023 HD13 LEU 138 HD13 LEU 138 -53.036 16.041 25.421 1024 HD21 LEU 138 HD21 LEU 138 -50.725 15.699 22.250 1025 HD23 LEU 138 HD22 LEU 138 -50.952 16.920 23.497 1026 HD22 LEU 138 HD23 LEU 138 -52.281 16.466 22.442 1027 H ARG 139 H ARG 139 -48.745 12.342 25.798 1028 HA ARG 139 HA ARG 139 -49.884 12.853 28.411 1029 HB2 ARG 139 HB2 ARG 139 -47.786 10.887 27.456 1030 HB3 ARG 139 HB3 ARG 139 -48.345 10.952 29.124 1031 HG2 ARG 139 HG2 ARG 139 -50.607 10.385 28.482 1032 HG3 ARG 139 HG3 ARG 139 -50.239 10.627 26.777 1033 HD2 ARG 139 HD2 ARG 139 -49.382 8.525 26.548 1034 HD3 ARG 139 HD3 ARG 139 -48.479 8.648 28.052 1035 HE ARG 139 HE ARG 139 -51.375 8.298 28.409 1036 HH21 ARG 139 HH11 ARG 139 -52.036 6.300 29.236 1037 HH22 ARG 139 HH12 ARG 139 -50.888 5.010 29.366 1038 HH11 ARG 139 HH21 ARG 139 -48.256 6.859 28.082 1039 HH12 ARG 139 HH22 ARG 139 -48.752 5.325 28.716 1040 H ASN 140 H ASN 140 -46.664 13.239 26.996 1041 HA ASN 140 HA ASN 140 -45.269 13.982 29.360 1042 HB2 ASN 140 HB2 ASN 140 -43.782 13.560 27.668 1043 HB3 ASN 140 HB3 ASN 140 -44.816 14.273 26.429 1044 HD21 ASN 140 HD21 ASN 140 -43.568 15.685 29.502 1045 HD22 ASN 140 HD22 ASN 140 -42.812 17.014 28.755 1046 H ILE 141 H ILE 141 -47.170 16.014 27.090 1047 HA ILE 141 HA ILE 141 -46.322 18.483 28.341 1048 HB ILE 141 HB ILE 141 -47.174 18.606 26.093 1049 HG12 ILE 141 HG12 ILE 141 -49.416 19.635 27.865 1050 HG13 ILE 141 HG13 ILE 141 -47.838 20.399 27.762 1051 HG21 ILE 141 HG21 ILE 141 -48.539 16.507 26.118 1052 HG23 ILE 141 HG22 ILE 141 -49.468 17.855 25.475 1053 HG22 ILE 141 HG23 ILE 141 -49.738 17.317 27.121 1054 HD13 ILE 141 HD11 ILE 141 -48.111 20.715 25.348 1055 HD12 ILE 141 HD12 ILE 141 -49.457 21.464 26.213 1056 HD11 ILE 141 HD13 ILE 141 -49.675 19.910 25.411 1057 H LEU 142 H LEU 142 -49.127 16.323 28.631 1058 HA LEU 142 HA LEU 142 -50.411 17.907 30.669 1059 HB2 LEU 142 HB2 LEU 142 -51.406 16.052 29.116 1060 HB3 LEU 142 HB3 LEU 142 -50.834 14.943 30.355 1061 HG LEU 142 HG LEU 142 -52.083 16.617 31.982 1062 HD13 LEU 142 HD11 LEU 142 -52.609 18.261 30.232 1063 HD12 LEU 142 HD12 LEU 142 -54.090 17.586 30.908 1064 HD11 LEU 142 HD13 LEU 142 -53.508 17.034 29.338 1065 HD21 LEU 142 HD21 LEU 142 -53.368 14.520 30.217 1066 HD23 LEU 142 HD22 LEU 142 -54.242 15.287 31.544 1067 HD22 LEU 142 HD23 LEU 142 -52.796 14.329 31.868 1068 H GLY 143 H GLY 143 -48.060 15.284 30.675 1069 HA3 GLY 143 HA2 GLY 143 -46.555 14.758 32.439 1070 HA2 GLY 143 HA3 GLY 143 -47.445 15.857 33.494 1071 H LEU 144 H LEU 144 -48.641 13.160 31.524 1072 HA LEU 144 HA LEU 144 -50.279 12.159 33.642 1073 HB2 LEU 144 HB2 LEU 144 -50.868 11.908 31.251 1074 HB3 LEU 144 HB3 LEU 144 -49.488 10.828 31.037 1075 HG LEU 144 HG LEU 144 -50.443 9.317 32.774 1076 HD11 LEU 144 HD11 LEU 144 -52.501 11.498 32.820 1077 HD13 LEU 144 HD12 LEU 144 -51.805 10.590 34.164 1078 HD12 LEU 144 HD13 LEU 144 -53.018 9.839 33.123 1079 HD23 LEU 144 HD21 LEU 144 -52.395 8.544 31.378 1080 HD22 LEU 144 HD22 LEU 144 -50.924 8.822 30.445 1081 HD21 LEU 144 HD23 LEU 144 -52.224 10.014 30.416 1082 H LYS 145 H LYS 145 -50.018 10.351 34.922 1083 HA LYS 145 HA LYS 145 -47.401 9.666 35.719 1084 HB2 LYS 145 HB2 LYS 145 -49.173 9.412 37.303 1085 HB3 LYS 145 HB3 LYS 145 -50.076 8.353 36.217 1086 HG2 LYS 145 HG2 LYS 145 -49.053 6.594 37.177 1087 HG3 LYS 145 HG3 LYS 145 -47.532 7.168 36.493 1088 HD2 LYS 145 HD2 LYS 145 -47.546 8.794 38.565 1089 HD3 LYS 145 HD3 LYS 145 -48.644 7.592 39.251 1090 HE2 LYS 145 HE2 LYS 145 -47.010 5.848 39.024 1091 HE3 LYS 145 HE3 LYS 145 -45.959 6.875 38.045 1092 HZ3 LYS 145 HZ1 LYS 145 -45.020 7.641 39.877 1093 HZ2 LYS 145 HZ2 LYS 145 -45.986 6.602 40.816 1094 HZ1 LYS 145 HZ3 LYS 145 -46.518 8.177 40.471 1095 H ILE 146 H ILE 146 -46.032 8.072 35.129 1096 HA ILE 146 HA ILE 146 -46.892 6.317 32.915 1097 HB ILE 146 HB ILE 146 -44.066 7.030 33.722 1098 HG12 ILE 146 HG12 ILE 146 -45.216 9.066 33.032 1099 HG13 ILE 146 HG13 ILE 146 -44.160 8.540 31.719 1100 HG21 ILE 146 HG21 ILE 146 -45.271 5.778 31.234 1101 HG23 ILE 146 HG22 ILE 146 -44.282 4.949 32.439 1102 HG22 ILE 146 HG23 ILE 146 -43.573 6.209 31.425 1103 HD13 ILE 146 HD11 ILE 146 -46.160 8.985 30.587 1104 HD12 ILE 146 HD12 ILE 146 -47.157 8.375 31.911 1105 HD11 ILE 146 HD13 ILE 146 -46.274 7.249 30.876 1106 H ILE 147 H ILE 147 -46.820 4.148 33.139 1107 HA ILE 147 HA ILE 147 -46.476 3.031 35.757 1108 HB ILE 147 HB ILE 147 -48.140 2.127 34.203 1109 HG12 ILE 147 HG12 ILE 147 -47.540 -0.267 34.424 1110 HG13 ILE 147 HG13 ILE 147 -45.870 0.190 34.781 1111 HG23 ILE 147 HG21 ILE 147 -47.550 1.087 32.145 1112 HG22 ILE 147 HG22 ILE 147 -45.837 1.067 32.556 1113 HG21 ILE 147 HG23 ILE 147 -46.633 2.593 32.171 1114 HD11 ILE 147 HD11 ILE 147 -48.061 1.403 36.426 1115 HD13 ILE 147 HD12 ILE 147 -46.398 1.021 36.879 1116 HD12 ILE 147 HD13 ILE 147 -47.595 -0.268 36.745 1117 H ASP 148 H ASP 148 -44.654 2.886 32.718 1118 HA ASP 148 HA ASP 148 -42.426 2.297 32.280 1119 HB2 ASP 148 HB2 ASP 148 -42.022 2.553 35.278 1120 HB3 ASP 148 HB3 ASP 148 -40.784 2.668 34.029 1121 H LEU 149 H LEU 149 -42.152 0.205 31.677 1122 HA LEU 149 HA LEU 149 -43.003 -2.000 33.367 1123 HB2 LEU 149 HB2 LEU 149 -41.701 -1.735 30.663 1124 HB3 LEU 149 HB3 LEU 149 -41.839 -3.313 31.433 1125 HG LEU 149 HG LEU 149 -44.316 -2.893 31.664 1126 HD13 LEU 149 HD11 LEU 149 -44.452 -0.518 31.575 1127 HD12 LEU 149 HD12 LEU 149 -45.179 -1.078 30.068 1128 HD11 LEU 149 HD13 LEU 149 -43.532 -0.449 30.069 1129 HD21 LEU 149 HD21 LEU 149 -42.969 -3.015 28.966 1130 HD23 LEU 149 HD22 LEU 149 -44.731 -3.009 29.088 1131 HD22 LEU 149 HD23 LEU 149 -43.791 -4.297 29.843 1132 H SER 150 H SER 150 -40.283 -0.108 33.511 1133 HA SER 150 HA SER 150 -38.378 -2.296 34.016 1134 HB2 SER 150 HB2 SER 150 -36.792 -0.668 33.779 1135 HB3 SER 150 HB3 SER 150 -38.120 0.339 33.215 1136 HG SER 150 HG SER 150 -36.683 0.462 35.521 1137 H ALA 151 H ALA 151 -40.719 -0.558 35.833 1138 HA ALA 151 HA ALA 151 -39.342 -0.776 38.411 1139 HB2 ALA 151 HB1 ALA 151 -42.296 -0.215 37.978 1140 HB3 ALA 151 HB2 ALA 151 -41.047 1.009 37.737 1141 HB1 ALA 151 HB3 ALA 151 -41.273 0.285 39.327 1142 H ILE 152 H ILE 152 -39.888 -3.328 36.891 1143 HA ILE 152 HA ILE 152 -41.914 -4.645 38.594 1144 HB ILE 152 HB ILE 152 -40.093 -5.799 36.460 1145 HG12 ILE 152 HG12 ILE 152 -41.493 -4.047 35.548 1146 HG13 ILE 152 HG13 ILE 152 -42.096 -5.606 35.003 1147 HG22 ILE 152 HG21 ILE 152 -42.234 -7.434 36.455 1148 HG21 ILE 152 HG22 ILE 152 -42.295 -6.936 38.149 1149 HG23 ILE 152 HG23 ILE 152 -40.852 -7.710 37.515 1150 HD12 ILE 152 HD11 ILE 152 -43.309 -3.657 36.927 1151 HD11 ILE 152 HD12 ILE 152 -43.630 -5.368 37.183 1152 HD13 ILE 152 HD13 ILE 152 -44.084 -4.616 35.668 1153 H GLN 153 H GLN 153 -41.342 -5.467 40.555 1154 HA GLN 153 HA GLN 153 -38.475 -6.134 41.068 1155 HB2 GLN 153 HB2 GLN 153 -40.811 -5.578 42.904 1156 HB3 GLN 153 HB3 GLN 153 -39.311 -6.288 43.494 1157 HG2 GLN 153 HG2 GLN 153 -38.058 -4.351 42.620 1158 HG3 GLN 153 HG3 GLN 153 -39.569 -3.632 42.062 1159 HE21 GLN 153 HE21 GLN 153 -38.120 -2.176 43.945 1160 HE22 GLN 153 HE22 GLN 153 -38.889 -2.242 45.454 1161 H ASP 154 H ASP 154 -41.477 -7.683 40.414 1162 HA ASP 154 HA ASP 154 -40.359 -10.283 41.457 1163 HB2 ASP 154 HB2 ASP 154 -43.217 -9.284 41.472 1164 HB3 ASP 154 HB3 ASP 154 -42.764 -10.960 41.785 1165 H GLU 155 H GLU 155 -40.792 -12.131 40.207 1166 HA GLU 155 HA GLU 155 -40.847 -11.758 37.365 1167 HB2 GLU 155 HB2 GLU 155 -41.285 -14.214 39.091 1168 HB3 GLU 155 HB3 GLU 155 -41.197 -14.271 37.329 1169 HG2 GLU 155 HG2 GLU 155 -38.945 -13.271 37.402 1170 HG3 GLU 155 HG3 GLU 155 -39.020 -13.214 39.165 1171 H VAL 156 H VAL 156 -42.545 -11.703 35.983 1172 HA VAL 156 HA VAL 156 -45.224 -12.632 36.830 1173 HB VAL 156 HB VAL 156 -46.270 -10.435 36.276 1174 HG12 VAL 156 HG11 VAL 156 -44.189 -10.052 38.433 1175 HG11 VAL 156 HG12 VAL 156 -45.536 -11.168 38.634 1176 HG13 VAL 156 HG13 VAL 156 -45.843 -9.450 38.391 1177 HG22 VAL 156 HG21 VAL 156 -44.495 -9.539 34.843 1178 HG21 VAL 156 HG22 VAL 156 -43.376 -9.518 36.205 1179 HG23 VAL 156 HG23 VAL 156 -44.773 -8.443 36.198 1180 H ILE 157 H ILE 157 -46.806 -12.469 34.960 1181 HA ILE 157 HA ILE 157 -45.366 -12.898 32.382 1182 HB ILE 157 HB ILE 157 -48.295 -13.372 33.069 1183 HG12 ILE 157 HG12 ILE 157 -46.049 -15.403 32.765 1184 HG13 ILE 157 HG13 ILE 157 -46.599 -14.794 34.322 1185 HG22 ILE 157 HG21 ILE 157 -46.767 -14.571 30.743 1186 HG21 ILE 157 HG22 ILE 157 -47.487 -12.977 30.596 1187 HG23 ILE 157 HG23 ILE 157 -48.507 -14.369 30.934 1188 HD12 ILE 157 HD11 ILE 157 -47.718 -16.960 32.826 1189 HD11 ILE 157 HD12 ILE 157 -48.914 -15.667 32.795 1190 HD13 ILE 157 HD13 ILE 157 -48.320 -16.282 34.335 1191 H LEU 158 H LEU 158 -45.897 -11.524 30.592 1192 HA LEU 158 HA LEU 158 -47.008 -8.893 31.437 1193 HB2 LEU 158 HB2 LEU 158 -44.761 -8.972 30.426 1194 HB3 LEU 158 HB3 LEU 158 -45.441 -9.707 28.975 1195 HG LEU 158 HG LEU 158 -46.852 -7.691 28.635 1196 HD12 LEU 158 HD11 LEU 158 -45.983 -5.639 30.055 1197 HD11 LEU 158 HD12 LEU 158 -45.503 -6.882 31.211 1198 HD13 LEU 158 HD13 LEU 158 -47.195 -6.711 30.739 1199 HD22 LEU 158 HD21 LEU 158 -44.726 -7.813 27.489 1200 HD21 LEU 158 HD22 LEU 158 -43.871 -7.275 28.929 1201 HD23 LEU 158 HD23 LEU 158 -44.925 -6.159 28.066 1202 H VAL 159 H VAL 159 -49.106 -8.524 30.972 1203 HA VAL 159 HA VAL 159 -50.272 -9.693 28.447 1204 HB VAL 159 HB VAL 159 -51.674 -9.096 31.075 1205 HG12 VAL 159 HG11 VAL 159 -53.574 -10.263 30.020 1206 HG11 VAL 159 HG12 VAL 159 -52.643 -10.421 28.526 1207 HG13 VAL 159 HG13 VAL 159 -53.122 -8.825 29.107 1208 HG22 VAL 159 HG21 VAL 159 -51.748 -11.460 31.432 1209 HG21 VAL 159 HG22 VAL 159 -50.071 -11.070 31.042 1210 HG23 VAL 159 HG23 VAL 159 -51.117 -11.787 29.817 1211 H ALA 160 H ALA 160 -51.049 -8.158 27.034 1212 HA ALA 160 HA ALA 160 -52.041 -5.565 28.011 1213 HB2 ALA 160 HB1 ALA 160 -50.436 -4.223 26.763 1214 HB3 ALA 160 HB2 ALA 160 -49.649 -5.676 26.145 1215 HB1 ALA 160 HB3 ALA 160 -49.545 -5.280 27.862 1216 H ALA 161 H ALA 161 -53.010 -4.310 26.149 1217 HA ALA 161 HA ALA 161 -54.300 -6.116 24.291 1218 HB3 ALA 161 HB1 ALA 161 -54.118 -3.094 24.048 1219 HB1 ALA 161 HB2 ALA 161 -55.258 -3.906 25.117 1220 HB2 ALA 161 HB3 ALA 161 -55.353 -4.157 23.375 1221 H ASP 162 H ASP 162 -51.569 -3.893 24.173 1222 HA ASP 162 HA ASP 162 -50.294 -5.332 22.042 1223 HB2 ASP 162 HB2 ASP 162 -52.062 -4.117 20.731 1224 HB3 ASP 162 HB3 ASP 162 -51.340 -2.598 21.254 1225 H LEU 163 H LEU 163 -48.114 -4.653 21.835 1226 HA LEU 163 HA LEU 163 -47.255 -2.537 23.788 1227 HB2 LEU 163 HB2 LEU 163 -46.001 -5.111 22.841 1228 HB3 LEU 163 HB3 LEU 163 -45.011 -3.850 23.570 1229 HG LEU 163 HG LEU 163 -47.443 -5.135 24.859 1230 HD11 LEU 163 HD11 LEU 163 -45.039 -6.380 24.649 1231 HD13 LEU 163 HD12 LEU 163 -46.039 -6.531 26.092 1232 HD12 LEU 163 HD13 LEU 163 -44.710 -5.380 26.062 1233 HD22 LEU 163 HD21 LEU 163 -47.434 -3.103 25.920 1234 HD21 LEU 163 HD22 LEU 163 -45.729 -2.808 25.574 1235 HD23 LEU 163 HD23 LEU 163 -46.189 -3.891 26.885 1236 H THR 164 H THR 164 -45.965 -0.871 23.051 1237 HA THR 164 HA THR 164 -45.518 -0.709 20.127 1238 HB THR 164 HB THR 164 -44.830 1.674 20.706 1239 HG1 THR 164 HG1 THR 164 -44.313 1.365 22.859 1240 HG23 THR 164 HG21 THR 164 -47.062 1.289 19.895 1241 HG22 THR 164 HG22 THR 164 -47.194 2.357 21.290 1242 HG21 THR 164 HG23 THR 164 -47.577 0.644 21.453 No H/Q in entry = 1242 In of MODEL 1 1 HA PRO 165 HA PRO 165 -41.209 -1.887 20.163 2 HB2 PRO 165 HB2 PRO 165 -40.765 0.838 18.959 3 HB3 PRO 165 HB3 PRO 165 -40.093 -0.730 18.465 4 HG2 PRO 165 HG2 PRO 165 -42.145 0.381 17.159 5 HG3 PRO 165 HG3 PRO 165 -42.026 -1.372 17.387 6 HD2 PRO 165 HD2 PRO 165 -43.903 0.546 18.663 7 HD3 PRO 165 HD3 PRO 165 -44.056 -1.213 18.447 8 H SER 166 H SER 166 -41.998 1.417 21.228 9 HA SER 166 HA SER 166 -39.597 1.975 22.620 10 HB2 SER 166 HB2 SER 166 -41.097 3.789 22.312 11 HB3 SER 166 HB3 SER 166 -42.439 2.899 23.031 12 HG SER 166 HG SER 166 -40.243 3.133 24.662 13 H GLU 167 H GLU 167 -42.532 0.291 23.726 14 HA GLU 167 HA GLU 167 -41.636 0.061 26.453 15 HB2 GLU 167 HB2 GLU 167 -43.778 -1.187 24.783 16 HB3 GLU 167 HB3 GLU 167 -43.331 -1.996 26.286 17 HG2 GLU 167 HG2 GLU 167 -45.147 -0.402 26.704 18 HG3 GLU 167 HG3 GLU 167 -43.678 0.130 27.518 19 H THR 168 H THR 168 -41.378 -2.100 23.637 20 HA THR 168 HA THR 168 -40.341 -4.355 24.935 21 HB THR 168 HB THR 168 -39.263 -4.928 22.782 22 HG1 THR 168 HG1 THR 168 -39.956 -3.249 21.084 23 HG22 THR 168 HG21 THR 168 -41.337 -4.946 21.447 24 HG21 THR 168 HG22 THR 168 -42.052 -3.779 22.558 25 HG23 THR 168 HG23 THR 168 -41.642 -5.398 23.126 26 H ALA 169 H ALA 169 -38.623 -1.385 24.130 27 HA ALA 169 HA ALA 169 -35.988 -2.517 24.583 28 HB1 ALA 169 HB1 ALA 169 -35.166 -0.329 24.350 29 HB3 ALA 169 HB2 ALA 169 -36.675 0.397 24.903 30 HB2 ALA 169 HB3 ALA 169 -36.585 -0.359 23.310 31 H GLN 170 H GLN 170 -38.043 -0.357 26.537 32 HA GLN 170 HA GLN 170 -36.317 -0.729 28.882 33 HB2 GLN 170 HB2 GLN 170 -37.554 1.437 28.271 34 HB3 GLN 170 HB3 GLN 170 -39.023 0.623 28.810 35 HG2 GLN 170 HG2 GLN 170 -38.216 0.428 31.057 36 HG3 GLN 170 HG3 GLN 170 -36.563 0.849 30.617 37 HE21 GLN 170 HE21 GLN 170 -36.205 2.945 31.354 38 HE22 GLN 170 HE22 GLN 170 -37.271 4.243 31.133 39 H LEU 171 H LEU 171 -37.526 -3.121 27.833 40 HA LEU 171 HA LEU 171 -39.571 -3.786 29.892 41 HB2 LEU 171 HB2 LEU 171 -40.332 -4.245 27.669 42 HB3 LEU 171 HB3 LEU 171 -38.796 -4.964 27.215 43 HG LEU 171 HG LEU 171 -39.251 -6.870 28.737 44 HD11 LEU 171 HD11 LEU 171 -41.847 -5.389 29.248 45 HD13 LEU 171 HD12 LEU 171 -40.624 -5.787 30.436 46 HD12 LEU 171 HD13 LEU 171 -41.558 -7.071 29.690 47 HD22 LEU 171 HD21 LEU 171 -39.940 -7.143 26.461 48 HD21 LEU 171 HD22 LEU 171 -41.381 -6.154 26.707 49 HD23 LEU 171 HD23 LEU 171 -41.267 -7.743 27.459 50 H ASN 172 H ASN 172 -39.115 -5.381 31.410 51 HA ASN 172 HA ASN 172 -36.304 -6.238 31.653 52 HB2 ASN 172 HB2 ASN 172 -38.722 -6.792 33.397 53 HB3 ASN 172 HB3 ASN 172 -37.066 -7.254 33.792 54 HD21 ASN 172 HD21 ASN 172 -35.965 -4.715 32.588 55 HD22 ASN 172 HD22 ASN 172 -36.328 -3.495 33.712 56 H LEU 173 H LEU 173 -35.845 -7.865 30.171 57 HA LEU 173 HA LEU 173 -37.689 -9.903 29.362 58 HB2 LEU 173 HB2 LEU 173 -34.669 -9.775 29.288 59 HB3 LEU 173 HB3 LEU 173 -35.580 -11.116 28.601 60 HG LEU 173 HG LEU 173 -35.003 -9.439 26.881 61 HD13 LEU 173 HD11 LEU 173 -37.079 -9.623 25.794 62 HD12 LEU 173 HD12 LEU 173 -37.969 -9.025 27.191 63 HD11 LEU 173 HD13 LEU 173 -37.402 -10.688 27.154 64 HD21 LEU 173 HD21 LEU 173 -35.115 -7.523 28.653 65 HD23 LEU 173 HD22 LEU 173 -36.831 -7.461 28.259 66 HD22 LEU 173 HD23 LEU 173 -35.625 -7.158 27.009 67 H LYS 174 H LYS 174 -35.153 -9.910 31.902 68 HA LYS 174 HA LYS 174 -35.446 -12.682 32.531 69 HB2 LYS 174 HB2 LYS 174 -34.412 -10.352 34.159 70 HB3 LYS 174 HB3 LYS 174 -34.293 -12.036 34.664 71 HG2 LYS 174 HG2 LYS 174 -33.023 -12.553 32.599 72 HG3 LYS 174 HG3 LYS 174 -33.100 -10.849 32.140 73 HD2 LYS 174 HD2 LYS 174 -31.928 -10.243 34.240 74 HD3 LYS 174 HD3 LYS 174 -31.822 -11.949 34.662 75 HE2 LYS 174 HE2 LYS 174 -30.683 -10.866 32.069 76 HE3 LYS 174 HE3 LYS 174 -29.740 -10.940 33.561 77 HZ3 LYS 174 HZ1 LYS 174 -29.263 -12.966 32.675 78 HZ2 LYS 174 HZ2 LYS 174 -30.761 -13.118 31.890 79 HZ1 LYS 174 HZ3 LYS 174 -30.650 -13.383 33.563 80 H LYS 175 H LYS 175 -37.225 -9.829 33.677 81 HA LYS 175 HA LYS 175 -38.468 -11.472 35.815 82 HB2 LYS 175 HB2 LYS 175 -38.723 -8.542 35.103 83 HB3 LYS 175 HB3 LYS 175 -39.587 -9.323 36.435 84 HG2 LYS 175 HG2 LYS 175 -37.438 -10.052 37.407 85 HG3 LYS 175 HG3 LYS 175 -36.577 -9.268 36.087 86 HD2 LYS 175 HD2 LYS 175 -37.464 -7.086 36.777 87 HD3 LYS 175 HD3 LYS 175 -38.365 -7.859 38.083 88 HE2 LYS 175 HE2 LYS 175 -36.277 -6.946 38.969 89 HE3 LYS 175 HE3 LYS 175 -36.224 -8.707 39.028 90 HZ1 LYS 175 HZ1 LYS 175 -35.199 -7.359 36.635 91 HZ3 LYS 175 HZ2 LYS 175 -34.696 -8.812 37.357 92 HZ2 LYS 175 HZ3 LYS 175 -34.249 -7.325 38.048 93 H VAL 176 H VAL 176 -39.053 -10.836 32.556 94 HA VAL 176 HA VAL 176 -42.007 -11.245 32.865 95 HB VAL 176 HB VAL 176 -41.309 -9.394 31.373 96 HG13 VAL 176 HG11 VAL 176 -39.842 -9.686 29.567 97 HG12 VAL 176 HG12 VAL 176 -40.088 -11.429 29.515 98 HG11 VAL 176 HG13 VAL 176 -39.125 -10.711 30.810 99 HG21 VAL 176 HG21 VAL 176 -43.322 -11.043 30.868 100 HG23 VAL 176 HG22 VAL 176 -42.317 -11.608 29.540 101 HG22 VAL 176 HG23 VAL 176 -42.830 -9.921 29.602 102 H LEU 177 H LEU 177 -42.508 -13.386 32.921 103 HA LEU 177 HA LEU 177 -40.674 -15.362 31.764 104 HB2 LEU 177 HB2 LEU 177 -43.382 -15.917 32.970 105 HB3 LEU 177 HB3 LEU 177 -41.996 -17.001 32.871 106 HG LEU 177 HG LEU 177 -40.788 -15.161 34.295 107 HD12 LEU 177 HD11 LEU 177 -42.919 -14.379 35.852 108 HD11 LEU 177 HD12 LEU 177 -43.588 -14.268 34.224 109 HD13 LEU 177 HD13 LEU 177 -42.128 -13.369 34.644 110 HD23 LEU 177 HD21 LEU 177 -41.827 -16.171 36.410 111 HD22 LEU 177 HD22 LEU 177 -41.173 -17.334 35.255 112 HD21 LEU 177 HD23 LEU 177 -42.911 -17.055 35.351 113 H GLY 178 H GLY 178 -42.808 -13.462 30.273 114 HA3 GLY 178 HA2 GLY 178 -42.897 -14.897 27.888 115 HA2 GLY 178 HA3 GLY 178 -44.348 -15.391 28.762 116 H PHE 179 H PHE 179 -44.862 -14.125 26.474 117 HA PHE 179 HA PHE 179 -45.766 -11.411 27.351 118 HB2 PHE 179 HB2 PHE 179 -44.051 -10.767 25.881 119 HB3 PHE 179 HB3 PHE 179 -44.239 -12.207 24.883 120 HD1 PHE 179 HD1 PHE 179 -45.372 -8.785 25.505 121 HD2 PHE 179 HD2 PHE 179 -46.138 -12.388 23.269 122 HE1 PHE 179 HE1 PHE 179 -46.815 -7.506 23.937 123 HE2 PHE 179 HE2 PHE 179 -47.594 -11.102 21.708 124 HZ PHE 179 HZ PHE 179 -47.933 -8.667 22.044 125 H ILE 180 H ILE 180 -47.927 -11.183 27.025 126 HA ILE 180 HA ILE 180 -49.250 -12.885 24.955 127 HB ILE 180 HB ILE 180 -50.226 -14.048 26.615 128 HG12 ILE 180 HG12 ILE 180 -51.474 -11.385 27.370 129 HG13 ILE 180 HG13 ILE 180 -51.964 -12.327 25.964 130 HG22 ILE 180 HG21 ILE 180 -49.431 -11.834 28.542 131 HG21 ILE 180 HG22 ILE 180 -48.442 -13.246 28.162 132 HG23 ILE 180 HG23 ILE 180 -49.991 -13.450 28.984 133 HD13 ILE 180 HD11 ILE 180 -52.937 -14.027 27.260 134 HD12 ILE 180 HD12 ILE 180 -53.274 -12.619 28.274 135 HD11 ILE 180 HD13 ILE 180 -51.918 -13.679 28.657 136 H THR 181 H THR 181 -50.420 -11.655 23.589 137 HA THR 181 HA THR 181 -51.730 -9.213 24.587 138 HB THR 181 HB THR 181 -49.862 -9.089 22.213 139 HG1 THR 181 HG1 THR 181 -49.259 -7.632 24.447 140 HG21 THR 181 HG21 THR 181 -51.973 -7.437 23.107 141 HG23 THR 181 HG22 THR 181 -50.806 -7.095 21.832 142 HG22 THR 181 HG23 THR 181 -50.475 -6.597 23.490 143 H ASP 182 H ASP 182 -53.192 -8.251 23.013 144 HA ASP 182 HA ASP 182 -54.326 -10.346 21.187 145 HB2 ASP 182 HB2 ASP 182 -56.464 -9.107 21.368 146 HB3 ASP 182 HB3 ASP 182 -55.848 -9.467 22.974 147 H ALA 183 H ALA 183 -52.016 -8.405 20.552 148 HA ALA 183 HA ALA 183 -52.864 -6.324 18.880 149 HB1 ALA 183 HB1 ALA 183 -50.451 -7.320 19.657 150 HB2 ALA 183 HB2 ALA 183 -50.639 -6.164 18.337 151 HB3 ALA 183 HB3 ALA 183 -50.497 -7.889 17.991 152 H GLY 184 H GLY 184 -51.784 -6.800 16.357 153 HA3 GLY 184 HA2 GLY 184 -54.013 -8.091 15.028 154 HA2 GLY 184 HA3 GLY 184 -52.605 -7.381 14.238 155 H GLY 185 H GLY 185 -50.474 -8.845 15.105 156 HA3 GLY 185 HA2 GLY 185 -50.780 -11.617 15.437 157 HA2 GLY 185 HA3 GLY 185 -50.846 -11.335 13.700 158 H ARG 186 H ARG 186 -48.885 -12.296 13.199 159 HA ARG 186 HA ARG 186 -46.433 -11.864 14.621 160 HB2 ARG 186 HB2 ARG 186 -46.968 -13.704 12.933 161 HB3 ARG 186 HB3 ARG 186 -46.671 -12.508 11.681 162 HG2 ARG 186 HG2 ARG 186 -44.377 -12.120 12.549 163 HG3 ARG 186 HG3 ARG 186 -44.636 -13.300 13.816 164 HD2 ARG 186 HD2 ARG 186 -43.340 -14.309 11.980 165 HD3 ARG 186 HD3 ARG 186 -44.904 -15.098 12.057 166 HE ARG 186 HE ARG 186 -45.039 -12.885 10.232 167 HH21 ARG 186 HH11 ARG 186 -44.961 -13.261 8.020 168 HH22 ARG 186 HH12 ARG 186 -44.249 -14.724 7.429 169 HH11 ARG 186 HH21 ARG 186 -43.479 -15.931 10.564 170 HH12 ARG 186 HH22 ARG 186 -43.407 -16.226 8.865 171 H THR 187 H THR 187 -48.118 -10.022 12.183 172 HA THR 187 HA THR 187 -45.890 -8.506 11.218 173 HB THR 187 HB THR 187 -47.610 -6.871 10.483 174 HG1 THR 187 HG1 THR 187 -48.884 -7.521 12.517 175 HG21 THR 187 HG21 THR 187 -48.389 -9.770 10.082 176 HG23 THR 187 HG22 THR 187 -47.187 -8.890 9.141 177 HG22 THR 187 HG23 THR 187 -48.887 -8.426 9.056 178 H SER 188 H SER 188 -46.919 -8.751 14.303 179 HA SER 188 HA SER 188 -46.665 -5.891 15.022 180 HB2 SER 188 HB2 SER 188 -48.381 -7.045 16.209 181 HB3 SER 188 HB3 SER 188 -47.319 -8.401 16.579 182 HG SER 188 HG SER 188 -46.739 -5.767 17.418 183 H HIS 189 H HIS 189 -44.786 -5.011 15.794 184 HA HIS 189 HA HIS 189 -42.268 -6.124 15.557 185 HB2 HIS 189 HB2 HIS 189 -43.098 -3.719 16.168 186 HB3 HIS 189 HB3 HIS 189 -42.917 -4.258 17.831 187 HD1 HIS 189 HD1 HIS 189 -40.857 -3.840 14.656 188 HD2 HIS 189 HD2 HIS 189 -40.311 -4.153 18.780 189 HE1 HIS 189 HE1 HIS 189 -38.423 -3.290 15.098 190 HE2 HIS 189 HE2 HIS 189 -38.070 -3.478 17.621 191 H THR 190 H THR 190 -44.074 -5.933 18.637 192 HA THR 190 HA THR 190 -42.217 -7.347 20.218 193 HB THR 190 HB THR 190 -45.235 -7.270 20.451 194 HG1 THR 190 HG1 THR 190 -43.836 -5.318 20.585 195 HG22 THR 190 HG21 THR 190 -44.434 -7.686 22.959 196 HG21 THR 190 HG22 THR 190 -43.100 -8.500 22.139 197 HG23 THR 190 HG23 THR 190 -44.758 -9.033 21.865 198 H SER 191 H SER 191 -44.735 -8.654 18.079 199 HA SER 191 HA SER 191 -44.641 -11.350 18.975 200 HB2 SER 191 HB2 SER 191 -46.333 -10.474 17.386 201 HB3 SER 191 HB3 SER 191 -45.092 -10.347 16.149 202 HG SER 191 HG SER 191 -46.142 -12.657 17.399 203 H ILE 192 H ILE 192 -42.611 -9.667 16.584 204 HA ILE 192 HA ILE 192 -41.170 -11.968 15.704 205 HB ILE 192 HB ILE 192 -39.764 -10.473 14.582 206 HG12 ILE 192 HG12 ILE 192 -39.601 -8.031 15.597 207 HG13 ILE 192 HG13 ILE 192 -40.078 -8.853 17.081 208 HG23 ILE 192 HG21 ILE 192 -41.105 -8.661 13.753 209 HG22 ILE 192 HG22 ILE 192 -42.072 -8.609 15.223 210 HG21 ILE 192 HG23 ILE 192 -42.218 -9.977 14.123 211 HD12 ILE 192 HD11 ILE 192 -37.516 -8.901 15.679 212 HD11 ILE 192 HD12 ILE 192 -38.112 -10.523 16.037 213 HD13 ILE 192 HD13 ILE 192 -37.891 -9.352 17.341 214 H MET 193 H MET 193 -40.683 -9.751 18.428 215 HA MET 193 HA MET 193 -38.109 -10.679 19.211 216 HB2 MET 193 HB2 MET 193 -40.388 -9.356 20.646 217 HB3 MET 193 HB3 MET 193 -39.017 -9.966 21.570 218 HG2 MET 193 HG2 MET 193 -38.664 -8.199 19.143 219 HG3 MET 193 HG3 MET 193 -38.842 -7.540 20.768 220 HE3 MET 193 HE1 MET 193 -35.997 -8.431 18.258 221 HE2 MET 193 HE2 MET 193 -35.076 -7.418 19.373 222 HE1 MET 193 HE3 MET 193 -36.701 -6.945 18.877 223 H ALA 194 H ALA 194 -41.361 -11.927 20.085 224 HA ALA 194 HA ALA 194 -40.481 -13.817 22.009 225 HB2 ALA 194 HB1 ALA 194 -42.562 -15.118 21.282 226 HB1 ALA 194 HB2 ALA 194 -42.807 -13.866 20.065 227 HB3 ALA 194 HB3 ALA 194 -42.851 -13.448 21.776 228 H ARG 195 H ARG 195 -40.765 -14.040 18.481 229 HA ARG 195 HA ARG 195 -40.006 -16.777 18.229 230 HB2 ARG 195 HB2 ARG 195 -40.891 -15.204 16.412 231 HB3 ARG 195 HB3 ARG 195 -39.241 -14.590 16.281 232 HG2 ARG 195 HG2 ARG 195 -38.408 -16.831 15.765 233 HG3 ARG 195 HG3 ARG 195 -40.021 -17.507 15.985 234 HD2 ARG 195 HD2 ARG 195 -39.578 -17.208 13.584 235 HD3 ARG 195 HD3 ARG 195 -40.832 -16.077 14.075 236 HE ARG 195 HE ARG 195 -38.214 -14.865 14.274 237 HH21 ARG 195 HH11 ARG 195 -37.615 -13.414 12.642 238 HH22 ARG 195 HH12 ARG 195 -38.529 -13.360 11.173 239 HH11 ARG 195 HH21 ARG 195 -40.742 -15.843 12.144 240 HH12 ARG 195 HH22 ARG 195 -40.300 -14.734 10.890 241 H SER 196 H SER 196 -37.931 -13.880 17.794 242 HA SER 196 HA SER 196 -35.484 -15.306 17.682 243 HB2 SER 196 HB2 SER 196 -34.451 -13.100 18.108 244 HB3 SER 196 HB3 SER 196 -35.713 -13.007 16.885 245 HG SER 196 HG SER 196 -36.868 -11.811 18.189 246 H LEU 197 H LEU 197 -37.185 -13.869 20.481 247 HA LEU 197 HA LEU 197 -34.982 -14.382 22.303 248 HB2 LEU 197 HB2 LEU 197 -37.233 -12.868 22.488 249 HB3 LEU 197 HB3 LEU 197 -37.736 -14.286 23.407 250 HG LEU 197 HG LEU 197 -36.690 -12.653 24.903 251 HD13 LEU 197 HD11 LEU 197 -35.231 -14.139 26.018 252 HD12 LEU 197 HD12 LEU 197 -34.682 -14.867 24.506 253 HD11 LEU 197 HD13 LEU 197 -36.310 -15.192 25.102 254 HD21 LEU 197 HD21 LEU 197 -35.060 -12.020 22.775 255 HD23 LEU 197 HD22 LEU 197 -33.963 -12.962 23.785 256 HD22 LEU 197 HD23 LEU 197 -34.753 -11.523 24.433 257 H GLU 198 H GLU 198 -37.570 -16.281 21.015 258 HA GLU 198 HA GLU 198 -38.095 -18.518 21.240 259 HB2 GLU 198 HB2 GLU 198 -35.535 -18.767 21.146 260 HB3 GLU 198 HB3 GLU 198 -35.602 -18.888 22.895 261 HG2 GLU 198 HG2 GLU 198 -37.102 -20.810 22.741 262 HG3 GLU 198 HG3 GLU 198 -37.147 -20.660 20.983 263 H LEU 199 H LEU 199 -39.400 -16.870 22.914 264 HA LEU 199 HA LEU 199 -39.553 -18.444 25.467 265 HB2 LEU 199 HB2 LEU 199 -39.576 -16.537 26.723 266 HB3 LEU 199 HB3 LEU 199 -38.830 -15.785 25.317 267 HG LEU 199 HG LEU 199 -41.829 -15.962 25.743 268 HD12 LEU 199 HD11 LEU 199 -40.002 -13.586 26.200 269 HD11 LEU 199 HD12 LEU 199 -40.678 -14.584 27.487 270 HD13 LEU 199 HD13 LEU 199 -41.744 -13.641 26.451 271 HD22 LEU 199 HD21 LEU 199 -42.051 -14.909 23.736 272 HD21 LEU 199 HD22 LEU 199 -40.407 -15.473 23.420 273 HD23 LEU 199 HD23 LEU 199 -40.683 -13.841 24.037 No H/Q in entry = 273 In of MODEL 1 1 HA PRO 200 HA PRO 200 -43.704 -19.257 24.040 2 HB2 PRO 200 HB2 PRO 200 -45.034 -19.388 26.511 3 HB3 PRO 200 HB3 PRO 200 -44.181 -20.727 25.726 4 HG2 PRO 200 HG2 PRO 200 -43.294 -18.965 27.946 5 HG3 PRO 200 HG3 PRO 200 -42.916 -20.667 27.633 6 HD2 PRO 200 HD2 PRO 200 -41.129 -18.630 27.143 7 HD3 PRO 200 HD3 PRO 200 -41.131 -20.148 26.213 8 H ALA 201 H ALA 201 -45.432 -17.976 23.364 9 HA ALA 201 HA ALA 201 -46.505 -15.818 24.972 10 HB2 ALA 201 HB1 ALA 201 -45.469 -14.317 22.766 11 HB1 ALA 201 HB2 ALA 201 -44.132 -15.249 23.447 12 HB3 ALA 201 HB3 ALA 201 -45.055 -14.151 24.472 13 H ILE 202 H ILE 202 -48.314 -14.805 24.025 14 HA ILE 202 HA ILE 202 -49.213 -15.861 21.363 15 HB ILE 202 HB ILE 202 -50.589 -16.892 23.111 16 HG12 ILE 202 HG12 ILE 202 -52.034 -14.546 21.836 17 HG13 ILE 202 HG13 ILE 202 -51.722 -16.094 21.056 18 HG21 ILE 202 HG21 ILE 202 -50.940 -14.037 24.094 19 HG23 ILE 202 HG22 ILE 202 -50.191 -15.367 24.969 20 HG22 ILE 202 HG23 ILE 202 -51.918 -15.393 24.652 21 HD13 ILE 202 HD11 ILE 202 -53.215 -17.250 22.461 22 HD12 ILE 202 HD12 ILE 202 -54.050 -15.720 22.197 23 HD11 ILE 202 HD13 ILE 202 -53.166 -16.001 23.698 24 H VAL 203 H VAL 203 -50.317 -14.274 20.038 25 HA VAL 203 HA VAL 203 -50.211 -11.453 21.079 26 HB VAL 203 HB VAL 203 -48.329 -11.794 19.565 27 HG13 VAL 203 HG11 VAL 203 -48.685 -12.543 17.263 28 HG12 VAL 203 HG12 VAL 203 -50.415 -12.676 17.550 29 HG11 VAL 203 HG13 VAL 203 -49.301 -13.761 18.379 30 HG22 VAL 203 HG21 VAL 203 -48.749 -9.971 18.108 31 HG21 VAL 203 HG22 VAL 203 -49.841 -9.697 19.465 32 HG23 VAL 203 HG23 VAL 203 -50.459 -10.377 17.960 33 H GLY 204 H GLY 204 -52.074 -13.916 19.647 34 HA3 GLY 204 HA2 GLY 204 -54.056 -11.948 18.554 35 HA2 GLY 204 HA3 GLY 204 -53.906 -13.614 18.014 36 H THR 205 H THR 205 -53.705 -12.973 21.440 37 HA THR 205 HA THR 205 -55.617 -14.790 22.252 38 HB THR 205 HB THR 205 -54.944 -13.960 24.238 39 HG1 THR 205 HG1 THR 205 -56.101 -11.472 23.678 40 HG21 THR 205 HG21 THR 205 -54.013 -11.574 22.626 41 HG23 THR 205 HG22 THR 205 -53.032 -12.957 23.119 42 HG22 THR 205 HG23 THR 205 -53.631 -11.830 24.330 43 H GLY 206 H GLY 206 -56.219 -11.404 21.378 44 HA3 GLY 206 HA2 GLY 206 -58.217 -10.648 20.254 45 HA2 GLY 206 HA3 GLY 206 -59.036 -12.123 20.756 46 H SER 207 H SER 207 -58.756 -12.119 23.513 47 HA SER 207 HA SER 207 -59.391 -9.453 24.564 48 HB2 SER 207 HB2 SER 207 -61.697 -10.133 25.287 49 HB3 SER 207 HB3 SER 207 -61.522 -9.962 23.543 50 HG SER 207 HG SER 207 -62.192 -12.124 24.995 51 H VAL 208 H VAL 208 -57.442 -11.403 25.321 52 HA VAL 208 HA VAL 208 -58.448 -12.809 27.678 53 HB VAL 208 HB VAL 208 -56.012 -13.318 28.067 54 HG11 VAL 208 HG11 VAL 208 -57.048 -13.744 25.246 55 HG13 VAL 208 HG12 VAL 208 -57.337 -14.788 26.632 56 HG12 VAL 208 HG13 VAL 208 -55.710 -14.632 25.974 57 HG21 VAL 208 HG21 VAL 208 -55.775 -11.412 25.738 58 HG23 VAL 208 HG22 VAL 208 -54.538 -12.630 26.040 59 HG22 VAL 208 HG23 VAL 208 -54.873 -11.397 27.251 60 H THR 209 H THR 209 -56.574 -9.845 27.085 61 HA THR 209 HA THR 209 -55.963 -9.196 29.770 62 HB THR 209 HB THR 209 -55.475 -7.970 27.426 63 HG1 THR 209 HG1 THR 209 -54.215 -7.284 28.967 64 HG23 THR 209 HG21 THR 209 -56.665 -5.921 27.181 65 HG22 THR 209 HG22 THR 209 -57.466 -6.091 28.742 66 HG21 THR 209 HG23 THR 209 -57.908 -7.146 27.401 67 H SER 210 H SER 210 -59.027 -8.834 28.050 68 HA SER 210 HA SER 210 -60.202 -7.136 30.111 69 HB2 SER 210 HB2 SER 210 -62.315 -7.548 28.898 70 HB3 SER 210 HB3 SER 210 -61.028 -7.068 27.795 71 HG SER 210 HG SER 210 -60.693 -9.357 27.453 72 H GLN 211 H GLN 211 -59.525 -10.439 29.819 73 HA GLN 211 HA GLN 211 -61.643 -11.223 31.768 74 HB2 GLN 211 HB2 GLN 211 -61.293 -12.556 29.663 75 HB3 GLN 211 HB3 GLN 211 -59.686 -12.972 30.250 76 HG2 GLN 211 HG2 GLN 211 -61.289 -14.796 30.819 77 HG3 GLN 211 HG3 GLN 211 -60.734 -14.010 32.292 78 HE21 GLN 211 HE21 GLN 211 -62.765 -14.759 33.342 79 HE22 GLN 211 HE22 GLN 211 -64.217 -13.927 33.058 80 H VAL 212 H VAL 212 -58.332 -10.386 31.590 81 HA VAL 212 HA VAL 212 -57.704 -11.857 34.132 82 HB VAL 212 HB VAL 212 -55.842 -10.588 32.098 83 HG12 VAL 212 HG11 VAL 212 -55.181 -12.337 34.480 84 HG11 VAL 212 HG12 VAL 212 -54.972 -10.588 34.465 85 HG13 VAL 212 HG13 VAL 212 -54.046 -11.588 33.363 86 HG22 VAL 212 HG21 VAL 212 -56.846 -12.563 31.198 87 HG21 VAL 212 HG22 VAL 212 -56.640 -13.434 32.716 88 HG23 VAL 212 HG23 VAL 212 -55.226 -13.012 31.742 89 H LYS 213 H LYS 213 -57.034 -10.780 35.929 90 HA LYS 213 HA LYS 213 -57.037 -7.778 35.875 91 HB2 LYS 213 HB2 LYS 213 -57.699 -9.769 38.083 92 HB3 LYS 213 HB3 LYS 213 -57.339 -8.082 38.417 93 HG2 LYS 213 HG2 LYS 213 -59.702 -8.175 38.279 94 HG3 LYS 213 HG3 LYS 213 -59.178 -7.490 36.740 95 HD2 LYS 213 HD2 LYS 213 -59.623 -9.461 35.551 96 HD3 LYS 213 HD3 LYS 213 -59.565 -10.473 36.993 97 HE2 LYS 213 HE2 LYS 213 -61.812 -10.253 37.275 98 HE3 LYS 213 HE3 LYS 213 -61.699 -8.496 37.260 99 HZ2 LYS 213 HZ1 LYS 213 -62.554 -10.255 35.199 100 HZ1 LYS 213 HZ2 LYS 213 -61.287 -9.263 34.658 101 HZ3 LYS 213 HZ3 LYS 213 -62.693 -8.561 35.303 102 H ASN 214 H ASN 214 -55.221 -6.842 37.212 103 HA ASN 214 HA ASN 214 -52.774 -8.264 36.813 104 HB2 ASN 214 HB2 ASN 214 -51.707 -6.557 38.146 105 HB3 ASN 214 HB3 ASN 214 -52.949 -5.775 37.175 106 HD21 ASN 214 HD21 ASN 214 -52.166 -4.402 39.433 107 HD22 ASN 214 HD22 ASN 214 -53.345 -4.502 40.645 108 H ASP 215 H ASP 215 -51.438 -9.312 38.350 109 HA ASP 215 HA ASP 215 -50.884 -10.597 40.205 110 HB2 ASP 215 HB2 ASP 215 -52.899 -8.774 41.323 111 HB3 ASP 215 HB3 ASP 215 -52.987 -10.354 42.077 112 H ASP 216 H ASP 216 -53.165 -11.232 38.082 113 HA ASP 216 HA ASP 216 -54.532 -13.439 39.461 114 HB2 ASP 216 HB2 ASP 216 -54.680 -12.124 36.824 115 HB3 ASP 216 HB3 ASP 216 -54.841 -13.867 36.701 116 H TYR 217 H TYR 217 -53.988 -15.629 39.246 117 HA TYR 217 HA TYR 217 -51.202 -16.150 38.340 118 HB2 TYR 217 HB2 TYR 217 -52.054 -17.006 40.572 119 HB3 TYR 217 HB3 TYR 217 -53.135 -18.075 39.676 120 HD1 TYR 217 HD1 TYR 217 -49.663 -17.409 40.666 121 HD2 TYR 217 HD2 TYR 217 -52.216 -19.888 38.237 122 HE1 TYR 217 HE1 TYR 217 -47.816 -19.056 40.401 123 HE2 TYR 217 HE2 TYR 217 -50.372 -21.531 37.976 124 HH TYR 217 HH TYR 217 -47.618 -21.543 39.899 125 H LEU 218 H LEU 218 -50.895 -16.911 36.299 126 HA LEU 218 HA LEU 218 -53.125 -18.462 34.994 127 HB2 LEU 218 HB2 LEU 218 -51.261 -16.468 33.678 128 HB3 LEU 218 HB3 LEU 218 -52.552 -17.364 32.885 129 HG LEU 218 HG LEU 218 -52.944 -15.378 35.137 130 HD12 LEU 218 HD11 LEU 218 -53.530 -15.100 32.177 131 HD11 LEU 218 HD12 LEU 218 -52.146 -14.381 33.003 132 HD13 LEU 218 HD13 LEU 218 -53.784 -13.882 33.424 133 HD22 LEU 218 HD21 LEU 218 -54.842 -16.699 35.284 134 HD21 LEU 218 HD22 LEU 218 -54.777 -17.195 33.594 135 HD23 LEU 218 HD23 LEU 218 -55.374 -15.592 34.023 136 H ILE 219 H ILE 219 -52.472 -20.149 33.615 137 HA ILE 219 HA ILE 219 -49.515 -20.739 33.577 138 HB ILE 219 HB ILE 219 -51.806 -22.730 33.514 139 HG12 ILE 219 HG12 ILE 219 -49.774 -22.151 35.692 140 HG13 ILE 219 HG13 ILE 219 -51.449 -21.618 35.737 141 HG22 ILE 219 HG21 ILE 219 -48.803 -23.097 33.671 142 HG21 ILE 219 HG22 ILE 219 -49.791 -23.411 32.243 143 HG23 ILE 219 HG23 ILE 219 -49.997 -24.395 33.690 144 HD12 ILE 219 HD11 ILE 219 -50.342 -24.399 35.986 145 HD11 ILE 219 HD12 ILE 219 -51.971 -24.181 35.335 146 HD13 ILE 219 HD13 ILE 219 -51.576 -23.604 36.955 147 H LEU 220 H LEU 220 -48.693 -20.676 31.530 148 HA LEU 220 HA LEU 220 -50.608 -20.474 29.262 149 HB2 LEU 220 HB2 LEU 220 -49.054 -18.657 29.443 150 HB3 LEU 220 HB3 LEU 220 -47.696 -19.753 29.662 151 HG LEU 220 HG LEU 220 -47.909 -20.534 27.357 152 HD12 LEU 220 HD11 LEU 220 -49.569 -19.226 25.884 153 HD11 LEU 220 HD12 LEU 220 -50.363 -18.770 27.394 154 HD13 LEU 220 HD13 LEU 220 -50.245 -20.470 26.936 155 HD22 LEU 220 HD21 LEU 220 -47.206 -18.506 26.246 156 HD21 LEU 220 HD22 LEU 220 -46.660 -18.394 27.921 157 HD23 LEU 220 HD23 LEU 220 -48.090 -17.505 27.399 158 H ASP 221 H ASP 221 -50.970 -22.311 28.135 159 HA ASP 221 HA ASP 221 -49.209 -24.622 28.386 160 HB2 ASP 221 HB2 ASP 221 -51.568 -24.133 26.529 161 HB3 ASP 221 HB3 ASP 221 -50.763 -25.686 26.755 162 H ALA 222 H ALA 222 -50.019 -22.306 25.818 163 HA ALA 222 HA ALA 222 -48.928 -21.861 23.783 164 HB2 ALA 222 HB1 ALA 222 -46.233 -22.278 24.308 165 HB1 ALA 222 HB2 ALA 222 -46.903 -22.049 25.922 166 HB3 ALA 222 HB3 ALA 222 -47.115 -20.804 24.698 167 H VAL 223 H VAL 223 -49.539 -24.762 24.739 168 HA VAL 223 HA VAL 223 -48.101 -26.117 22.485 169 HB VAL 223 HB VAL 223 -48.387 -26.962 25.346 170 HG11 VAL 223 HG11 VAL 223 -48.639 -28.763 22.934 171 HG13 VAL 223 HG12 VAL 223 -49.658 -28.715 24.375 172 HG12 VAL 223 HG13 VAL 223 -48.018 -29.361 24.475 173 HG21 VAL 223 HG21 VAL 223 -46.244 -26.184 24.194 174 HG23 VAL 223 HG22 VAL 223 -46.316 -27.676 23.256 175 HG22 VAL 223 HG23 VAL 223 -46.148 -27.746 25.011 176 H ASN 224 H ASN 224 -50.855 -26.177 24.734 177 HA ASN 224 HA ASN 224 -52.515 -27.530 22.646 178 HB2 ASN 224 HB2 ASN 224 -53.128 -26.906 25.563 179 HB3 ASN 224 HB3 ASN 224 -54.207 -27.753 24.452 180 HD21 ASN 224 HD21 ASN 224 -52.534 -29.532 23.149 181 HD22 ASN 224 HD22 ASN 224 -51.796 -30.583 24.262 182 H ASN 225 H ASN 225 -51.483 -24.575 23.485 183 HA ASN 225 HA ASN 225 -52.211 -22.408 23.049 184 HB2 ASN 225 HB2 ASN 225 -52.811 -23.664 20.858 185 HB3 ASN 225 HB3 ASN 225 -54.471 -23.599 21.445 186 HD21 ASN 225 HD21 ASN 225 -51.665 -21.490 20.683 187 HD22 ASN 225 HD22 ASN 225 -52.590 -20.108 20.331 188 H GLN 226 H GLN 226 -53.054 -23.432 25.473 189 HA GLN 226 HA GLN 226 -55.771 -22.174 25.756 190 HB2 GLN 226 HB2 GLN 226 -54.809 -24.772 26.993 191 HB3 GLN 226 HB3 GLN 226 -56.254 -23.911 27.522 192 HG2 GLN 226 HG2 GLN 226 -57.194 -24.106 25.240 193 HG3 GLN 226 HG3 GLN 226 -55.751 -24.983 24.727 194 HE21 GLN 226 HE21 GLN 226 -57.833 -26.567 24.338 195 HE22 GLN 226 HE22 GLN 226 -58.090 -27.672 25.599 196 H VAL 227 H VAL 227 -56.146 -21.266 27.864 197 HA VAL 227 HA VAL 227 -53.687 -20.877 29.526 198 HB VAL 227 HB VAL 227 -55.847 -18.831 28.919 199 HG12 VAL 227 HG11 VAL 227 -54.245 -17.319 30.189 200 HG11 VAL 227 HG12 VAL 227 -53.408 -18.779 30.715 201 HG13 VAL 227 HG13 VAL 227 -55.087 -18.512 31.177 202 HG22 VAL 227 HG21 VAL 227 -54.369 -17.827 27.454 203 HG21 VAL 227 HG22 VAL 227 -53.850 -19.501 27.256 204 HG23 VAL 227 HG23 VAL 227 -52.949 -18.416 28.318 205 H TYR 228 H TYR 228 -53.987 -21.409 31.638 206 HA TYR 228 HA TYR 228 -56.770 -22.034 32.519 207 HB2 TYR 228 HB2 TYR 228 -54.076 -22.963 33.548 208 HB3 TYR 228 HB3 TYR 228 -55.595 -23.289 34.386 209 HD1 TYR 228 HD1 TYR 228 -53.551 -24.035 31.424 210 HD2 TYR 228 HD2 TYR 228 -57.300 -24.757 33.398 211 HE1 TYR 228 HE1 TYR 228 -53.973 -25.962 29.921 212 HE2 TYR 228 HE2 TYR 228 -57.719 -26.684 31.893 213 HH TYR 228 HH TYR 228 -57.016 -27.803 30.102 214 H VAL 229 H VAL 229 -57.715 -20.633 33.855 215 HA VAL 229 HA VAL 229 -56.067 -18.605 35.264 216 HB VAL 229 HB VAL 229 -59.062 -18.650 34.806 217 HG12 VAL 229 HG11 VAL 229 -58.708 -16.156 35.305 218 HG11 VAL 229 HG12 VAL 229 -57.126 -16.622 35.934 219 HG13 VAL 229 HG13 VAL 229 -58.592 -17.259 36.678 220 HG22 VAL 229 HG21 VAL 229 -58.731 -17.375 32.886 221 HG21 VAL 229 HG22 VAL 229 -57.331 -18.445 32.804 222 HG23 VAL 229 HG23 VAL 229 -57.150 -16.799 33.418 223 H ASN 230 H ASN 230 -55.568 -19.117 37.354 224 HA ASN 230 HA ASN 230 -55.791 -19.928 39.531 225 HB2 ASN 230 HB2 ASN 230 -57.572 -18.151 39.485 226 HB3 ASN 230 HB3 ASN 230 -58.741 -19.416 39.106 227 HD21 ASN 230 HD21 ASN 230 -59.232 -18.108 41.459 228 HD22 ASN 230 HD22 ASN 230 -58.787 -19.060 42.794 No H/Q in entry = 228 In of MODEL 1 1 HA PRO 231 HA PRO 231 -57.837 -23.901 37.908 2 HB2 PRO 231 HB2 PRO 231 -55.759 -25.140 36.679 3 HB3 PRO 231 HB3 PRO 231 -56.828 -24.002 35.834 4 HG2 PRO 231 HG2 PRO 231 -54.089 -23.584 36.913 5 HG3 PRO 231 HG3 PRO 231 -54.827 -22.959 35.430 6 HD2 PRO 231 HD2 PRO 231 -54.542 -21.493 37.770 7 HD3 PRO 231 HD3 PRO 231 -55.742 -21.141 36.505 8 H THR 232 H THR 232 -57.657 -25.918 38.935 9 HA THR 232 HA THR 232 -56.397 -26.014 41.433 10 HB THR 232 HB THR 232 -57.625 -28.084 39.638 11 HG1 THR 232 HG1 THR 232 -59.208 -27.331 40.781 12 HG22 THR 232 HG21 THR 232 -57.289 -29.688 41.582 13 HG21 THR 232 HG22 THR 232 -56.099 -28.546 42.208 14 HG23 THR 232 HG23 THR 232 -55.839 -29.325 40.647 15 H ASN 233 H ASN 233 -55.108 -28.438 41.641 16 HA ASN 233 HA ASN 233 -52.524 -27.776 40.471 17 HB2 ASN 233 HB2 ASN 233 -53.489 -29.321 42.768 18 HB3 ASN 233 HB3 ASN 233 -52.165 -30.098 41.902 19 HD21 ASN 233 HD21 ASN 233 -52.936 -27.588 44.134 20 HD22 ASN 233 HD22 ASN 233 -51.400 -26.869 44.190 21 H GLU 234 H GLU 234 -55.168 -29.785 39.756 22 HA GLU 234 HA GLU 234 -53.816 -31.994 38.580 23 HB2 GLU 234 HB2 GLU 234 -55.910 -32.693 37.842 24 HB3 GLU 234 HB3 GLU 234 -56.332 -31.700 39.239 25 HG2 GLU 234 HG2 GLU 234 -56.638 -29.755 37.686 26 HG3 GLU 234 HG3 GLU 234 -56.385 -30.854 36.329 27 H VAL 235 H VAL 235 -54.641 -28.782 37.469 28 HA VAL 235 HA VAL 235 -53.881 -29.412 34.713 29 HB VAL 235 HB VAL 235 -54.952 -26.895 36.018 30 HG11 VAL 235 HG11 VAL 235 -53.298 -26.804 33.925 31 HG13 VAL 235 HG12 VAL 235 -54.725 -25.771 34.008 32 HG12 VAL 235 HG13 VAL 235 -54.764 -27.252 33.053 33 HG22 VAL 235 HG21 VAL 235 -56.945 -27.390 34.646 34 HG21 VAL 235 HG22 VAL 235 -56.586 -28.733 35.731 35 HG23 VAL 235 HG23 VAL 235 -56.158 -28.841 34.022 36 H ILE 236 H ILE 236 -52.850 -27.473 37.520 37 HA ILE 236 HA ILE 236 -50.585 -26.241 36.352 38 HB ILE 236 HB ILE 236 -50.844 -27.189 39.221 39 HG12 ILE 236 HG12 ILE 236 -51.815 -24.611 37.946 40 HG13 ILE 236 HG13 ILE 236 -52.846 -25.903 38.557 41 HG23 ILE 236 HG21 ILE 236 -48.615 -26.403 38.628 42 HG22 ILE 236 HG22 ILE 236 -49.404 -25.179 39.622 43 HG21 ILE 236 HG23 ILE 236 -49.289 -24.958 37.877 44 HD11 ILE 236 HD11 ILE 236 -51.566 -25.570 40.795 45 HD13 ILE 236 HD12 ILE 236 -52.783 -24.371 40.347 46 HD12 ILE 236 HD13 ILE 236 -51.071 -24.022 40.105 47 H ASP 237 H ASP 237 -51.380 -29.439 37.220 48 HA ASP 237 HA ASP 237 -48.620 -30.285 37.313 49 HB2 ASP 237 HB2 ASP 237 -51.212 -31.619 37.852 50 HB3 ASP 237 HB3 ASP 237 -49.794 -32.601 37.510 51 H LYS 238 H LYS 238 -51.364 -31.143 35.199 52 HA LYS 238 HA LYS 238 -50.190 -32.636 33.203 53 HB2 LYS 238 HB2 LYS 238 -52.132 -30.352 32.889 54 HB3 LYS 238 HB3 LYS 238 -51.728 -31.479 31.620 55 HG2 LYS 238 HG2 LYS 238 -52.738 -33.293 32.927 56 HG3 LYS 238 HG3 LYS 238 -53.143 -32.137 34.200 57 HD2 LYS 238 HD2 LYS 238 -54.725 -31.038 32.903 58 HD3 LYS 238 HD3 LYS 238 -53.963 -31.505 31.392 59 HE2 LYS 238 HE2 LYS 238 -54.807 -33.910 32.576 60 HE3 LYS 238 HE3 LYS 238 -56.136 -32.771 32.802 61 HZ3 LYS 238 HZ1 LYS 238 -56.624 -33.327 30.692 62 HZ2 LYS 238 HZ2 LYS 238 -55.056 -33.891 30.355 63 HZ1 LYS 238 HZ3 LYS 238 -55.398 -32.228 30.287 64 H MET 239 H MET 239 -50.416 -29.110 33.352 65 HA MET 239 HA MET 239 -48.933 -28.439 31.100 66 HB2 MET 239 HB2 MET 239 -49.449 -26.986 33.678 67 HB3 MET 239 HB3 MET 239 -48.527 -26.274 32.368 68 HG2 MET 239 HG2 MET 239 -51.426 -26.986 32.475 69 HG3 MET 239 HG3 MET 239 -50.673 -25.455 32.047 70 HE1 MET 239 HE1 MET 239 -49.115 -25.034 29.791 71 HE3 MET 239 HE2 MET 239 -49.063 -26.062 28.360 72 HE2 MET 239 HE3 MET 239 -48.199 -26.551 29.815 73 H ARG 240 H ARG 240 -47.863 -28.837 34.467 74 HA ARG 240 HA ARG 240 -45.219 -28.093 34.015 75 HB2 ARG 240 HB2 ARG 240 -46.697 -28.936 36.197 76 HB3 ARG 240 HB3 ARG 240 -45.475 -30.183 36.018 77 HG2 ARG 240 HG2 ARG 240 -44.415 -28.671 37.431 78 HG3 ARG 240 HG3 ARG 240 -43.806 -28.175 35.860 79 HD2 ARG 240 HD2 ARG 240 -45.761 -26.474 35.858 80 HD3 ARG 240 HD3 ARG 240 -45.911 -26.830 37.568 81 HE ARG 240 HE ARG 240 -43.239 -26.074 36.853 82 HH21 ARG 240 HH11 ARG 240 -42.430 -24.032 37.536 83 HH22 ARG 240 HH12 ARG 240 -43.546 -22.819 38.069 84 HH11 ARG 240 HH21 ARG 240 -46.389 -24.756 37.590 85 HH12 ARG 240 HH22 ARG 240 -45.757 -23.226 38.098 86 H ALA 241 H ALA 241 -46.882 -31.119 33.436 87 HA ALA 241 HA ALA 241 -44.466 -32.575 32.799 88 HB3 ALA 241 HB1 ALA 241 -46.675 -33.601 33.628 89 HB2 ALA 241 HB2 ALA 241 -45.826 -34.428 32.322 90 HB1 ALA 241 HB3 ALA 241 -47.229 -33.421 31.961 91 H VAL 242 H VAL 242 -46.782 -30.626 31.103 92 HA VAL 242 HA VAL 242 -46.120 -31.462 28.457 93 HB VAL 242 HB VAL 242 -47.350 -28.855 29.407 94 HG11 VAL 242 HG11 VAL 242 -46.388 -28.642 27.188 95 HG13 VAL 242 HG12 VAL 242 -48.151 -28.607 27.127 96 HG12 VAL 242 HG13 VAL 242 -47.280 -30.067 26.657 97 HG21 VAL 242 HG21 VAL 242 -48.458 -31.296 29.684 98 HG23 VAL 242 HG22 VAL 242 -48.972 -30.921 28.041 99 HG22 VAL 242 HG23 VAL 242 -49.399 -29.840 29.365 100 H GLN 243 H GLN 243 -45.040 -29.044 30.661 101 HA GLN 243 HA GLN 243 -43.105 -27.667 29.149 102 HB2 GLN 243 HB2 GLN 243 -43.369 -26.495 30.989 103 HB3 GLN 243 HB3 GLN 243 -44.126 -27.845 31.810 104 HG2 GLN 243 HG2 GLN 243 -42.237 -27.089 33.019 105 HG3 GLN 243 HG3 GLN 243 -41.929 -28.700 32.370 106 HE21 GLN 243 HE21 GLN 243 -39.685 -28.555 32.271 107 HE22 GLN 243 HE22 GLN 243 -38.872 -27.495 31.221 108 H GLU 244 H GLU 244 -42.968 -30.611 31.101 109 HA GLU 244 HA GLU 244 -40.164 -31.020 30.981 110 HB2 GLU 244 HB2 GLU 244 -41.620 -32.291 32.486 111 HB3 GLU 244 HB3 GLU 244 -42.377 -33.066 31.110 112 HG2 GLU 244 HG2 GLU 244 -40.783 -34.629 32.073 113 HG3 GLU 244 HG3 GLU 244 -40.138 -34.095 30.528 114 H GLN 245 H GLN 245 -42.787 -32.019 28.784 115 HA GLN 245 HA GLN 245 -41.203 -33.575 27.043 116 HB2 GLN 245 HB2 GLN 245 -43.692 -31.961 26.479 117 HB3 GLN 245 HB3 GLN 245 -42.983 -33.106 25.360 118 HG2 GLN 245 HG2 GLN 245 -44.058 -33.799 28.096 119 HG3 GLN 245 HG3 GLN 245 -44.934 -34.003 26.583 120 HE21 GLN 245 HE21 GLN 245 -43.271 -35.116 24.830 121 HE22 GLN 245 HE22 GLN 245 -42.611 -36.579 25.383 122 H VAL 246 H VAL 246 -42.227 -30.226 26.987 123 HA VAL 246 HA VAL 246 -41.051 -29.294 24.681 124 HB VAL 246 HB VAL 246 -41.437 -27.175 25.497 125 HG12 VAL 246 HG11 VAL 246 -43.363 -28.140 27.473 126 HG11 VAL 246 HG12 VAL 246 -43.424 -29.059 25.968 127 HG13 VAL 246 HG13 VAL 246 -43.640 -27.309 25.941 128 HG23 VAL 246 HG21 VAL 246 -41.551 -26.783 28.043 129 HG22 VAL 246 HG22 VAL 246 -39.974 -26.993 27.281 130 HG21 VAL 246 HG23 VAL 246 -40.718 -28.333 28.158 131 H ALA 247 H ALA 247 -39.633 -29.511 27.928 132 HA ALA 247 HA ALA 247 -37.101 -28.482 27.202 133 HB3 ALA 247 HB1 ALA 247 -36.353 -29.413 29.369 134 HB2 ALA 247 HB2 ALA 247 -37.941 -30.161 29.547 135 HB1 ALA 247 HB3 ALA 247 -37.796 -28.404 29.480 136 H SER 248 H SER 248 -38.322 -31.805 27.223 137 HA SER 248 HA SER 248 -35.822 -33.075 26.681 138 HB2 SER 248 HB2 SER 248 -38.607 -33.989 25.966 139 HB3 SER 248 HB3 SER 248 -37.157 -34.979 25.958 140 HG SER 248 HG SER 248 -38.035 -33.600 28.249 141 H GLU 249 H GLU 249 -38.445 -31.751 24.699 142 HA GLU 249 HA GLU 249 -37.522 -32.617 22.201 143 HB2 GLU 249 HB2 GLU 249 -39.692 -31.402 22.733 144 HB3 GLU 249 HB3 GLU 249 -38.752 -29.921 22.643 145 HG2 GLU 249 HG2 GLU 249 -39.722 -30.232 20.501 146 HG3 GLU 249 HG3 GLU 249 -38.023 -30.646 20.339 147 H LYS 250 H LYS 250 -36.596 -29.781 24.148 148 HA LYS 250 HA LYS 250 -34.861 -28.675 22.205 149 HB2 LYS 250 HB2 LYS 250 -35.542 -27.413 24.229 150 HB3 LYS 250 HB3 LYS 250 -34.570 -28.491 25.210 151 HG2 LYS 250 HG2 LYS 250 -32.567 -27.711 24.081 152 HG3 LYS 250 HG3 LYS 250 -33.536 -26.663 23.059 153 HD2 LYS 250 HD2 LYS 250 -34.308 -25.460 25.079 154 HD3 LYS 250 HD3 LYS 250 -33.245 -26.473 26.057 155 HE2 LYS 250 HE2 LYS 250 -32.327 -24.764 23.749 156 HE3 LYS 250 HE3 LYS 250 -32.240 -24.283 25.438 157 HZ3 LYS 250 HZ1 LYS 250 -30.286 -25.253 25.433 158 HZ2 LYS 250 HZ2 LYS 250 -30.572 -26.032 23.949 159 HZ1 LYS 250 HZ3 LYS 250 -31.114 -26.733 25.397 160 H ALA 251 H ALA 251 -34.237 -30.704 25.022 161 HA ALA 251 HA ALA 251 -31.558 -31.125 24.738 162 HB2 ALA 251 HB1 ALA 251 -31.807 -33.117 26.024 163 HB3 ALA 251 HB2 ALA 251 -33.522 -33.206 25.621 164 HB1 ALA 251 HB3 ALA 251 -32.916 -31.886 26.622 165 H GLU 252 H GLU 252 -34.117 -32.885 22.998 166 HA GLU 252 HA GLU 252 -32.261 -34.704 21.770 167 HB2 GLU 252 HB2 GLU 252 -35.103 -33.989 21.076 168 HB3 GLU 252 HB3 GLU 252 -34.178 -35.244 20.269 169 HG2 GLU 252 HG2 GLU 252 -34.758 -35.210 23.237 170 HG3 GLU 252 HG3 GLU 252 -35.717 -36.083 22.055 171 H LEU 253 H LEU 253 -34.067 -31.900 20.509 172 HA LEU 253 HA LEU 253 -32.948 -31.766 17.950 173 HB2 LEU 253 HB2 LEU 253 -34.164 -29.743 19.796 174 HB3 LEU 253 HB3 LEU 253 -33.389 -29.205 18.307 175 HG LEU 253 HG LEU 253 -35.527 -31.354 18.405 176 HD13 LEU 253 HD11 LEU 253 -36.633 -29.362 19.076 177 HD12 LEU 253 HD12 LEU 253 -36.914 -29.465 17.338 178 HD11 LEU 253 HD13 LEU 253 -35.686 -28.368 17.970 179 HD22 LEU 253 HD21 LEU 253 -35.450 -31.331 16.078 180 HD21 LEU 253 HD22 LEU 253 -33.753 -31.039 16.453 181 HD23 LEU 253 HD23 LEU 253 -34.801 -29.693 16.011 182 H ALA 254 H ALA 254 -31.743 -30.569 21.013 183 HA ALA 254 HA ALA 254 -29.660 -28.938 20.375 184 HB1 ALA 254 HB1 ALA 254 -30.397 -29.597 22.654 185 HB2 ALA 254 HB2 ALA 254 -28.645 -29.615 22.446 186 HB3 ALA 254 HB3 ALA 254 -29.550 -31.129 22.444 187 H LYS 255 H LYS 255 -29.406 -32.495 20.527 188 HA LYS 255 HA LYS 255 -26.679 -32.590 19.809 189 HB2 LYS 255 HB2 LYS 255 -28.914 -34.611 19.536 190 HB3 LYS 255 HB3 LYS 255 -27.231 -34.979 19.149 191 HG2 LYS 255 HG2 LYS 255 -26.582 -34.292 21.458 192 HG3 LYS 255 HG3 LYS 255 -28.285 -34.022 21.832 193 HD2 LYS 255 HD2 LYS 255 -28.678 -36.457 21.126 194 HD3 LYS 255 HD3 LYS 255 -26.925 -36.647 21.173 195 HE2 LYS 255 HE2 LYS 255 -28.608 -35.658 23.500 196 HE3 LYS 255 HE3 LYS 255 -28.029 -37.316 23.316 197 HZ1 LYS 255 HZ1 LYS 255 -26.081 -35.134 23.113 198 HZ3 LYS 255 HZ2 LYS 255 -25.875 -36.715 23.699 199 HZ2 LYS 255 HZ3 LYS 255 -26.654 -35.546 24.655 200 H LEU 256 H LEU 256 -29.629 -32.844 17.870 201 HA LEU 256 HA LEU 256 -29.990 -32.072 15.712 202 HB2 LEU 256 HB2 LEU 256 -26.973 -31.943 15.429 203 HB3 LEU 256 HB3 LEU 256 -28.143 -31.426 14.220 204 HG LEU 256 HG LEU 256 -27.993 -30.286 17.027 205 HD12 LEU 256 HD11 LEU 256 -27.334 -28.555 14.748 206 HD11 LEU 256 HD12 LEU 256 -26.174 -29.861 14.995 207 HD13 LEU 256 HD13 LEU 256 -26.518 -28.727 16.301 208 HD23 LEU 256 HD21 LEU 256 -29.419 -29.250 14.560 209 HD22 LEU 256 HD22 LEU 256 -29.547 -28.631 16.206 210 HD21 LEU 256 HD23 LEU 256 -30.212 -30.212 15.807 211 H LYS 257 H LYS 257 -29.836 -33.041 13.539 212 HA LYS 257 HA LYS 257 -28.554 -35.612 13.293 213 HB2 LYS 257 HB2 LYS 257 -30.523 -36.189 14.679 214 HB3 LYS 257 HB3 LYS 257 -31.578 -35.512 13.441 215 HG2 LYS 257 HG2 LYS 257 -31.419 -37.960 13.210 216 HG3 LYS 257 HG3 LYS 257 -30.716 -37.159 11.806 217 HD2 LYS 257 HD2 LYS 257 -28.456 -37.403 12.837 218 HD3 LYS 257 HD3 LYS 257 -29.191 -38.285 14.176 219 HE2 LYS 257 HE2 LYS 257 -30.013 -39.996 12.605 220 HE3 LYS 257 HE3 LYS 257 -29.298 -39.105 11.257 221 HZ2 LYS 257 HZ1 LYS 257 -27.906 -40.456 13.497 222 HZ1 LYS 257 HZ2 LYS 257 -27.133 -39.296 12.526 223 HZ3 LYS 257 HZ3 LYS 257 -27.726 -40.730 11.833 224 H ASP 258 H ASP 258 -29.735 -32.826 12.048 225 HA ASP 258 HA ASP 258 -30.631 -33.697 9.470 226 HB2 ASP 258 HB2 ASP 258 -29.983 -31.131 9.036 227 HB3 ASP 258 HB3 ASP 258 -31.468 -31.607 9.849 228 H LEU 259 H LEU 259 -29.047 -35.064 8.648 229 HA LEU 259 HA LEU 259 -26.285 -34.393 8.503 230 HB2 LEU 259 HB2 LEU 259 -28.051 -36.500 7.353 231 HB3 LEU 259 HB3 LEU 259 -26.507 -36.217 6.554 232 HG LEU 259 HG LEU 259 -25.301 -36.589 8.639 233 HD12 LEU 259 HD11 LEU 259 -26.565 -37.287 10.678 234 HD11 LEU 259 HD12 LEU 259 -28.066 -36.893 9.841 235 HD13 LEU 259 HD13 LEU 259 -26.898 -35.622 10.204 236 HD23 LEU 259 HD21 LEU 259 -26.151 -38.971 9.138 237 HD22 LEU 259 HD22 LEU 259 -25.681 -38.627 7.474 238 HD21 LEU 259 HD23 LEU 259 -27.387 -38.656 7.921 No H/Q in entry = 238 In of MODEL 1 1 HA PRO 260 HA PRO 260 -25.601 -31.734 5.103 2 HB2 PRO 260 HB2 PRO 260 -24.353 -33.999 3.598 3 HB3 PRO 260 HB3 PRO 260 -23.707 -32.388 3.948 4 HG2 PRO 260 HG2 PRO 260 -22.918 -34.596 5.268 5 HG3 PRO 260 HG3 PRO 260 -22.948 -33.002 6.017 6 HD2 PRO 260 HD2 PRO 260 -24.702 -35.315 6.519 7 HD3 PRO 260 HD3 PRO 260 -24.395 -33.893 7.539 8 H ALA 261 H ALA 261 -25.816 -34.703 3.202 9 HA ALA 261 HA ALA 261 -28.505 -34.194 2.292 10 HB1 ALA 261 HB1 ALA 261 -26.267 -33.927 0.270 11 HB2 ALA 261 HB2 ALA 261 -27.110 -32.550 0.982 12 HB3 ALA 261 HB3 ALA 261 -27.995 -33.710 -0.009 13 H ILE 262 H ILE 262 -29.322 -36.186 2.215 14 HA ILE 262 HA ILE 262 -27.667 -38.370 1.112 15 HB ILE 262 HB ILE 262 -29.727 -38.609 3.344 16 HG12 ILE 262 HG12 ILE 262 -26.747 -39.090 3.480 17 HG13 ILE 262 HG13 ILE 262 -27.484 -37.565 3.929 18 HG21 ILE 262 HG21 ILE 262 -28.152 -40.590 1.755 19 HG23 ILE 262 HG22 ILE 262 -29.814 -40.687 2.336 20 HG22 ILE 262 HG23 ILE 262 -28.472 -40.924 3.458 21 HD11 ILE 262 HD11 ILE 262 -28.609 -39.991 5.220 22 HD13 ILE 262 HD12 ILE 262 -28.303 -38.390 5.894 23 HD12 ILE 262 HD13 ILE 262 -26.973 -39.532 5.696 24 H THR 263 H THR 263 -28.529 -39.261 -0.629 25 HA THR 263 HA THR 263 -31.075 -38.690 -1.713 26 HB THR 263 HB THR 263 -29.022 -39.695 -2.846 27 HG1 THR 263 HG1 THR 263 -31.252 -41.245 -3.451 28 HG23 THR 263 HG21 THR 263 -28.422 -41.830 -2.433 29 HG22 THR 263 HG22 THR 263 -30.097 -42.379 -2.341 30 HG21 THR 263 HG23 THR 263 -29.332 -41.638 -0.934 31 H LEU 264 H LEU 264 -32.834 -40.162 -1.923 32 HA LEU 264 HA LEU 264 -34.005 -41.321 0.271 33 HB2 LEU 264 HB2 LEU 264 -35.181 -40.905 -1.834 34 HB3 LEU 264 HB3 LEU 264 -34.285 -42.214 -2.605 35 HG LEU 264 HG LEU 264 -35.527 -42.950 -0.071 36 HD11 LEU 264 HD11 LEU 264 -37.290 -41.412 -0.907 37 HD13 LEU 264 HD12 LEU 264 -37.819 -43.077 -0.668 38 HD12 LEU 264 HD13 LEU 264 -37.497 -42.479 -2.297 39 HD23 LEU 264 HD21 LEU 264 -36.261 -44.990 -1.494 40 HD22 LEU 264 HD22 LEU 264 -34.526 -44.730 -1.319 41 HD21 LEU 264 HD23 LEU 264 -35.337 -44.265 -2.813 42 H ASP 265 H ASP 265 -31.842 -42.928 -2.031 43 HA ASP 265 HA ASP 265 -32.025 -45.395 -0.520 44 HB2 ASP 265 HB2 ASP 265 -30.809 -44.690 -3.161 45 HB3 ASP 265 HB3 ASP 265 -30.443 -46.216 -2.369 46 H GLY 266 H GLY 266 -30.449 -42.984 0.524 47 HA3 GLY 266 HA2 GLY 266 -28.911 -43.183 2.241 48 HA2 GLY 266 HA3 GLY 266 -28.483 -44.757 1.650 49 H HIS 267 H HIS 267 -28.010 -42.256 -0.660 50 HA HIS 267 HA HIS 267 -25.118 -42.564 -0.272 51 HB2 HIS 267 HB2 HIS 267 -26.398 -42.793 -2.554 52 HB3 HIS 267 HB3 HIS 267 -26.386 -41.041 -2.536 53 HD1 HIS 267 HD1 HIS 267 -24.328 -43.956 -3.331 54 HD2 HIS 267 HD2 HIS 267 -23.660 -39.936 -2.539 55 HE1 HIS 267 HE1 HIS 267 -21.992 -43.488 -4.154 56 HE2 HIS 267 HE2 HIS 267 -21.616 -41.040 -3.677 57 H GLN 268 H GLN 268 -24.006 -41.044 0.724 58 HA GLN 268 HA GLN 268 -25.264 -38.434 1.160 59 HB2 GLN 268 HB2 GLN 268 -24.593 -39.803 3.105 60 HB3 GLN 268 HB3 GLN 268 -22.922 -39.643 2.587 61 HG2 GLN 268 HG2 GLN 268 -23.033 -37.253 2.834 62 HG3 GLN 268 HG3 GLN 268 -24.746 -37.341 3.220 63 HE21 GLN 268 HE21 GLN 268 -23.099 -36.063 4.986 64 HE22 GLN 268 HE22 GLN 268 -22.890 -37.002 6.385 65 H VAL 269 H VAL 269 -24.329 -36.531 0.717 66 HA VAL 269 HA VAL 269 -21.544 -36.506 -0.226 67 HB VAL 269 HB VAL 269 -22.035 -34.783 -1.928 68 HG12 VAL 269 HG11 VAL 269 -23.577 -37.328 -2.283 69 HG11 VAL 269 HG12 VAL 269 -21.851 -37.102 -2.577 70 HG13 VAL 269 HG13 VAL 269 -23.037 -36.255 -3.574 71 HG21 VAL 269 HG21 VAL 269 -24.116 -33.941 -0.974 72 HG23 VAL 269 HG22 VAL 269 -24.911 -35.464 -1.376 73 HG22 VAL 269 HG23 VAL 269 -24.320 -34.410 -2.660 74 H GLU 270 H GLU 270 -20.525 -34.319 0.058 75 HA GLU 270 HA GLU 270 -21.745 -32.955 2.333 76 HB2 GLU 270 HB2 GLU 270 -19.232 -33.454 2.041 77 HB3 GLU 270 HB3 GLU 270 -19.251 -32.135 0.893 78 HG2 GLU 270 HG2 GLU 270 -19.973 -30.597 2.653 79 HG3 GLU 270 HG3 GLU 270 -20.031 -31.923 3.806 80 H VAL 271 H VAL 271 -22.217 -30.742 2.218 81 HA VAL 271 HA VAL 271 -22.469 -29.509 -0.420 82 HB VAL 271 HB VAL 271 -24.693 -30.260 1.471 83 HG13 VAL 271 HG11 VAL 271 -25.066 -27.982 1.442 84 HG12 VAL 271 HG12 VAL 271 -26.059 -28.573 0.111 85 HG11 VAL 271 HG13 VAL 271 -24.501 -27.811 -0.218 86 HG22 VAL 271 HG21 VAL 271 -25.845 -30.898 -0.519 87 HG21 VAL 271 HG22 VAL 271 -24.200 -31.520 -0.660 88 HG23 VAL 271 HG23 VAL 271 -24.673 -30.066 -1.540 89 H CYS 272 H CYS 272 -21.421 -27.645 -0.105 90 HA CYS 272 HA CYS 272 -21.420 -26.431 2.595 91 HB2 CYS 272 HB2 CYS 272 -19.187 -26.946 0.651 92 HB3 CYS 272 HB3 CYS 272 -19.049 -25.827 1.993 93 HG CYS 272 HG CYS 272 -18.228 -27.845 3.054 94 H ALA 273 H ALA 273 -20.356 -24.279 2.516 95 HA ALA 273 HA ALA 273 -21.491 -22.825 0.251 96 HB3 ALA 273 HB1 ALA 273 -21.511 -20.908 1.608 97 HB1 ALA 273 HB2 ALA 273 -20.478 -21.672 2.817 98 HB2 ALA 273 HB3 ALA 273 -22.133 -22.237 2.584 99 H ASN 274 H ASN 274 -20.312 -21.528 -1.034 100 HA ASN 274 HA ASN 274 -17.380 -21.499 -0.824 101 HB2 ASN 274 HB2 ASN 274 -19.404 -20.282 -2.718 102 HB3 ASN 274 HB3 ASN 274 -17.678 -19.960 -2.801 103 HD21 ASN 274 HD21 ASN 274 -19.089 -21.043 -4.950 104 HD22 ASN 274 HD22 ASN 274 -18.574 -22.640 -5.208 105 H ILE 275 H ILE 275 -16.440 -19.652 0.148 106 HA ILE 275 HA ILE 275 -18.271 -17.402 0.670 107 HB ILE 275 HB ILE 275 -17.185 -16.952 2.879 108 HG12 ILE 275 HG12 ILE 275 -16.089 -19.747 2.592 109 HG13 ILE 275 HG13 ILE 275 -15.152 -18.281 2.430 110 HG22 ILE 275 HG21 ILE 275 -18.378 -19.603 3.350 111 HG21 ILE 275 HG22 ILE 275 -19.352 -18.488 2.392 112 HG23 ILE 275 HG23 ILE 275 -18.811 -18.024 4.005 113 HD12 ILE 275 HD11 ILE 275 -14.922 -19.491 4.649 114 HD11 ILE 275 HD12 ILE 275 -16.592 -19.040 4.991 115 HD13 ILE 275 HD13 ILE 275 -15.367 -17.789 4.777 116 H GLY 276 H GLY 276 -17.155 -15.437 1.398 117 HA3 GLY 276 HA2 GLY 276 -14.601 -15.094 -0.011 118 HA2 GLY 276 HA3 GLY 276 -15.877 -13.891 -0.027 119 H THR 277 H THR 277 -16.258 -14.684 2.942 120 HA THR 277 HA THR 277 -14.211 -13.147 4.336 121 HB THR 277 HB THR 277 -16.376 -11.483 4.655 122 HG1 THR 277 HG1 THR 277 -17.210 -12.798 2.755 123 HG21 THR 277 HG21 THR 277 -14.187 -11.257 2.572 124 HG23 THR 277 HG22 THR 277 -14.039 -10.802 4.269 125 HG22 THR 277 HG23 THR 277 -15.137 -9.917 3.211 126 H VAL 278 H VAL 278 -14.514 -13.523 6.624 127 HA VAL 278 HA VAL 278 -16.097 -15.371 7.839 128 HB VAL 278 HB VAL 278 -14.601 -13.994 9.121 129 HG11 VAL 278 HG11 VAL 278 -15.524 -11.890 7.685 130 HG13 VAL 278 HG12 VAL 278 -14.675 -11.705 9.219 131 HG12 VAL 278 HG13 VAL 278 -16.437 -11.656 9.176 132 HG21 VAL 278 HG21 VAL 278 -16.636 -14.997 10.244 133 HG23 VAL 278 HG22 VAL 278 -17.423 -13.427 10.079 134 HG22 VAL 278 HG23 VAL 278 -15.973 -13.586 11.069 135 H ARG 279 H ARG 279 -17.253 -12.218 6.741 136 HA ARG 279 HA ARG 279 -19.745 -12.234 7.973 137 HB2 ARG 279 HB2 ARG 279 -18.694 -10.927 5.480 138 HB3 ARG 279 HB3 ARG 279 -20.378 -10.731 5.964 139 HG2 ARG 279 HG2 ARG 279 -18.388 -10.333 8.126 140 HG3 ARG 279 HG3 ARG 279 -18.361 -9.122 6.843 141 HD2 ARG 279 HD2 ARG 279 -20.890 -9.978 8.278 142 HD3 ARG 279 HD3 ARG 279 -19.923 -8.593 8.774 143 HE ARG 279 HE ARG 279 -21.673 -8.756 6.462 144 HH21 ARG 279 HH11 ARG 279 -21.943 -6.852 5.318 145 HH22 ARG 279 HH12 ARG 279 -20.861 -5.527 5.572 146 HH11 ARG 279 HH21 ARG 279 -18.986 -7.178 7.937 147 HH12 ARG 279 HH22 ARG 279 -19.197 -5.710 7.049 148 H ASP 280 H ASP 280 -18.683 -14.194 5.355 149 HA ASP 280 HA ASP 280 -21.330 -14.589 4.269 150 HB2 ASP 280 HB2 ASP 280 -18.748 -16.038 3.655 151 HB3 ASP 280 HB3 ASP 280 -20.210 -16.021 2.672 152 H VAL 281 H VAL 281 -19.433 -15.844 6.796 153 HA VAL 281 HA VAL 281 -20.162 -18.569 6.756 154 HB VAL 281 HB VAL 281 -18.574 -16.903 8.376 155 HG12 VAL 281 HG11 VAL 281 -20.722 -18.275 10.024 156 HG11 VAL 281 HG12 VAL 281 -20.586 -16.530 9.800 157 HG13 VAL 281 HG13 VAL 281 -19.319 -17.412 10.650 158 HG23 VAL 281 HG21 VAL 281 -18.002 -19.099 9.481 159 HG22 VAL 281 HG22 VAL 281 -17.946 -19.146 7.718 160 HG21 VAL 281 HG23 VAL 281 -19.326 -19.834 8.577 161 H GLU 282 H GLU 282 -21.675 -15.658 7.849 162 HA GLU 282 HA GLU 282 -23.629 -16.770 9.516 163 HB2 GLU 282 HB2 GLU 282 -23.086 -14.333 9.379 164 HB3 GLU 282 HB3 GLU 282 -23.868 -14.284 7.799 165 HG2 GLU 282 HG2 GLU 282 -25.988 -15.010 8.788 166 HG3 GLU 282 HG3 GLU 282 -25.223 -15.170 10.366 167 H GLY 283 H GLY 283 -23.949 -15.677 6.094 168 HA3 GLY 283 HA2 GLY 283 -26.412 -16.831 5.453 169 HA2 GLY 283 HA3 GLY 283 -25.101 -16.579 4.316 170 H ALA 284 H ALA 284 -23.226 -18.400 5.585 171 HA ALA 284 HA ALA 284 -24.050 -20.775 4.288 172 HB3 ALA 284 HB1 ALA 284 -21.991 -21.738 5.179 173 HB2 ALA 284 HB2 ALA 284 -21.827 -20.389 6.303 174 HB1 ALA 284 HB3 ALA 284 -21.690 -20.111 4.566 175 H GLU 285 H GLU 285 -23.907 -19.857 7.703 176 HA GLU 285 HA GLU 285 -24.687 -22.428 8.691 177 HB2 GLU 285 HB2 GLU 285 -24.661 -19.650 9.918 178 HB3 GLU 285 HB3 GLU 285 -25.217 -21.070 10.804 179 HG2 GLU 285 HG2 GLU 285 -22.498 -20.881 9.485 180 HG3 GLU 285 HG3 GLU 285 -22.776 -20.494 11.178 181 H ARG 286 H ARG 286 -26.247 -19.423 7.802 182 HA ARG 286 HA ARG 286 -28.835 -19.904 8.711 183 HB2 ARG 286 HB2 ARG 286 -28.089 -17.720 7.931 184 HB3 ARG 286 HB3 ARG 286 -27.915 -18.342 6.289 185 HG2 ARG 286 HG2 ARG 286 -30.324 -18.836 6.199 186 HG3 ARG 286 HG3 ARG 286 -30.514 -18.260 7.856 187 HD2 ARG 286 HD2 ARG 286 -29.847 -16.018 7.208 188 HD3 ARG 286 HD3 ARG 286 -29.460 -16.562 5.578 189 HE ARG 286 HE ARG 286 -31.952 -17.163 5.468 190 HH21 ARG 286 HH11 ARG 286 -33.813 -15.929 5.362 191 HH22 ARG 286 HH12 ARG 286 -33.891 -14.404 6.172 192 HH11 ARG 286 HH21 ARG 286 -30.684 -14.611 7.414 193 HH12 ARG 286 HH22 ARG 286 -32.127 -13.662 7.331 194 H ASN 287 H ASN 287 -27.269 -20.926 5.753 195 HA ASN 287 HA ASN 287 -29.729 -22.026 4.677 196 HB2 ASN 287 HB2 ASN 287 -27.048 -21.369 3.471 197 HB3 ASN 287 HB3 ASN 287 -28.345 -22.163 2.582 198 HD21 ASN 287 HD21 ASN 287 -29.433 -20.649 1.339 199 HD22 ASN 287 HD22 ASN 287 -29.804 -19.069 1.832 200 H GLY 288 H GLY 288 -27.596 -23.228 6.662 201 HA3 GLY 288 HA2 GLY 288 -27.572 -25.409 7.355 202 HA2 GLY 288 HA3 GLY 288 -28.417 -25.839 5.882 203 H ALA 289 H ALA 289 -25.486 -24.150 5.529 204 HA ALA 289 HA ALA 289 -24.106 -26.014 3.983 205 HB1 ALA 289 HB1 ALA 289 -23.573 -23.584 4.113 206 HB3 ALA 289 HB2 ALA 289 -22.148 -24.579 4.401 207 HB2 ALA 289 HB3 ALA 289 -22.978 -23.816 5.758 208 H GLU 290 H GLU 290 -22.704 -27.691 4.491 209 HA GLU 290 HA GLU 290 -22.537 -28.399 7.342 210 HB2 GLU 290 HB2 GLU 290 -21.840 -29.991 4.893 211 HB3 GLU 290 HB3 GLU 290 -21.567 -30.539 6.533 212 HG2 GLU 290 HG2 GLU 290 -24.250 -29.866 5.335 213 HG3 GLU 290 HG3 GLU 290 -23.598 -31.485 5.527 214 H GLY 291 H GLY 291 -20.754 -26.532 5.389 215 HA3 GLY 291 HA2 GLY 291 -18.592 -26.105 6.969 216 HA2 GLY 291 HA3 GLY 291 -18.064 -27.448 5.936 217 H VAL 292 H VAL 292 -16.587 -25.518 5.269 218 HA VAL 292 HA VAL 292 -17.880 -23.978 3.120 219 HB VAL 292 HB VAL 292 -16.869 -22.209 3.995 220 HG12 VAL 292 HG11 VAL 292 -15.156 -23.967 5.726 221 HG11 VAL 292 HG12 VAL 292 -16.793 -23.451 6.129 222 HG13 VAL 292 HG13 VAL 292 -15.508 -22.254 5.954 223 HG21 VAL 292 HG21 VAL 292 -15.166 -22.893 2.237 224 HG23 VAL 292 HG22 VAL 292 -14.190 -23.544 3.553 225 HG22 VAL 292 HG23 VAL 292 -14.561 -21.823 3.501 226 H GLY 293 H GLY 293 -17.369 -24.493 1.109 227 HA3 GLY 293 HA2 GLY 293 -15.416 -26.616 0.732 228 HA2 GLY 293 HA3 GLY 293 -16.685 -26.141 -0.396 229 H LEU 294 H LEU 294 -15.654 -23.245 0.261 230 HA LEU 294 HA LEU 294 -13.064 -23.191 -0.997 231 HB2 LEU 294 HB2 LEU 294 -14.547 -23.535 -2.967 232 HB3 LEU 294 HB3 LEU 294 -15.449 -22.110 -2.506 233 HG LEU 294 HG LEU 294 -13.119 -20.916 -2.717 234 HD12 LEU 294 HD11 LEU 294 -11.736 -21.990 -4.439 235 HD11 LEU 294 HD12 LEU 294 -12.797 -23.397 -4.380 236 HD13 LEU 294 HD13 LEU 294 -11.850 -22.947 -2.962 237 HD21 LEU 294 HD21 LEU 294 -14.723 -21.864 -5.117 238 HD23 LEU 294 HD22 LEU 294 -13.471 -20.623 -5.197 239 HD22 LEU 294 HD23 LEU 294 -14.927 -20.348 -4.238 240 H TYR 295 H TYR 295 -12.146 -21.597 0.016 241 HA TYR 295 HA TYR 295 -13.706 -19.238 0.819 242 HB2 TYR 295 HB2 TYR 295 -12.885 -20.303 2.809 243 HB3 TYR 295 HB3 TYR 295 -11.364 -20.724 2.052 244 HD1 TYR 295 HD1 TYR 295 -13.286 -18.098 3.725 245 HD2 TYR 295 HD2 TYR 295 -9.548 -19.068 1.900 246 HE1 TYR 295 HE1 TYR 295 -12.310 -16.105 4.711 247 HE2 TYR 295 HE2 TYR 295 -8.550 -17.031 2.890 248 HH TYR 295 HH TYR 295 -10.035 -14.569 3.822 249 H ARG 296 H ARG 296 -13.494 -18.228 -1.042 250 HA ARG 296 HA ARG 296 -11.175 -18.044 -2.700 251 HB2 ARG 296 HB2 ARG 296 -13.876 -16.884 -2.609 252 HB3 ARG 296 HB3 ARG 296 -12.667 -15.714 -3.109 253 HG2 ARG 296 HG2 ARG 296 -11.899 -17.460 -4.811 254 HG3 ARG 296 HG3 ARG 296 -13.366 -18.342 -4.421 255 HD2 ARG 296 HD2 ARG 296 -13.189 -15.554 -5.611 256 HD3 ARG 296 HD3 ARG 296 -13.739 -17.010 -6.427 257 HE ARG 296 HE ARG 296 -15.238 -15.391 -4.531 258 HH21 ARG 296 HH11 ARG 296 -17.461 -15.864 -4.292 259 HH22 ARG 296 HH12 ARG 296 -18.086 -17.338 -4.953 260 HH11 ARG 296 HH21 ARG 296 -15.023 -18.449 -6.205 261 HH12 ARG 296 HH22 ARG 296 -16.711 -18.797 -6.031 262 H THR 297 H THR 297 -9.379 -17.393 -1.463 263 HA THR 297 HA THR 297 -9.678 -15.420 0.533 264 HB THR 297 HB THR 297 -7.918 -17.082 0.724 265 HG1 THR 297 HG1 THR 297 -6.644 -14.620 0.374 266 HG22 THR 297 HG21 THR 297 -6.466 -15.508 -1.410 267 HG21 THR 297 HG22 THR 297 -7.332 -17.001 -1.770 268 HG23 THR 297 HG23 THR 297 -5.966 -17.021 -0.654 269 H GLU 298 H GLU 298 -9.172 -15.025 -2.855 270 HA GLU 298 HA GLU 298 -7.894 -12.552 -3.116 271 HB2 GLU 298 HB2 GLU 298 -8.601 -13.521 -5.153 272 HB3 GLU 298 HB3 GLU 298 -10.228 -13.784 -4.567 273 HG2 GLU 298 HG2 GLU 298 -10.384 -11.243 -4.530 274 HG3 GLU 298 HG3 GLU 298 -8.945 -11.287 -5.533 275 H PHE 299 H PHE 299 -11.184 -13.378 -2.310 276 HA PHE 299 HA PHE 299 -12.283 -10.843 -2.534 277 HB2 PHE 299 HB2 PHE 299 -14.132 -11.827 -1.134 278 HB3 PHE 299 HB3 PHE 299 -13.716 -12.709 -2.591 279 HD1 PHE 299 HD1 PHE 299 -11.904 -12.707 0.679 280 HD2 PHE 299 HD2 PHE 299 -14.347 -14.926 -2.060 281 HE1 PHE 299 HE1 PHE 299 -11.566 -14.763 2.043 282 HE2 PHE 299 HE2 PHE 299 -14.024 -16.976 -0.735 283 HZ PHE 299 HZ PHE 299 -12.648 -16.914 1.324 284 H LEU 300 H LEU 300 -10.717 -12.480 0.148 285 HA LEU 300 HA LEU 300 -11.302 -10.485 2.084 286 HB2 LEU 300 HB2 LEU 300 -10.654 -12.572 2.842 287 HB3 LEU 300 HB3 LEU 300 -9.304 -12.658 1.778 288 HG LEU 300 HG LEU 300 -8.158 -11.065 3.319 289 HD11 LEU 300 HD11 LEU 300 -10.090 -10.123 4.412 290 HD13 LEU 300 HD12 LEU 300 -8.955 -10.792 5.585 291 HD12 LEU 300 HD13 LEU 300 -10.432 -11.670 5.188 292 HD23 LEU 300 HD21 LEU 300 -8.618 -13.411 5.029 293 HD22 LEU 300 HD22 LEU 300 -7.128 -12.787 4.323 294 HD21 LEU 300 HD23 LEU 300 -8.215 -13.785 3.353 295 H PHE 301 H PHE 301 -8.935 -10.860 -0.451 296 HA PHE 301 HA PHE 301 -7.163 -8.792 0.424 297 HB2 PHE 301 HB2 PHE 301 -6.660 -10.754 -1.124 298 HB3 PHE 301 HB3 PHE 301 -7.509 -9.863 -2.374 299 HD1 PHE 301 HD1 PHE 301 -4.369 -10.472 -0.897 300 HD2 PHE 301 HD2 PHE 301 -6.660 -7.422 -2.748 301 HE1 PHE 301 HE1 PHE 301 -2.307 -9.276 -1.424 302 HE2 PHE 301 HE2 PHE 301 -4.592 -6.243 -3.296 303 HZ PHE 301 HZ PHE 301 -2.403 -7.168 -2.626 304 H MET 302 H MET 302 -10.079 -8.933 -1.475 305 HA MET 302 HA MET 302 -9.708 -6.165 -2.408 306 HB2 MET 302 HB2 MET 302 -10.602 -7.862 -3.995 307 HB3 MET 302 HB3 MET 302 -11.980 -8.103 -2.925 308 HG2 MET 302 HG2 MET 302 -12.704 -5.813 -3.228 309 HG3 MET 302 HG3 MET 302 -11.239 -5.420 -4.127 310 HE1 MET 302 HE1 MET 302 -14.167 -7.512 -3.667 311 HE3 MET 302 HE2 MET 302 -13.643 -8.829 -4.712 312 HE2 MET 302 HE3 MET 302 -14.922 -7.744 -5.249 313 H ASP 303 H ASP 303 -10.532 -7.548 0.363 314 HA ASP 303 HA ASP 303 -12.817 -5.838 0.981 315 HB2 ASP 303 HB2 ASP 303 -12.689 -8.232 1.769 316 HB3 ASP 303 HB3 ASP 303 -11.348 -7.752 2.803 317 H ARG 304 H ARG 304 -9.669 -5.341 0.636 318 HA ARG 304 HA ARG 304 -9.304 -3.392 2.815 319 HB2 ARG 304 HB2 ARG 304 -7.373 -5.559 1.959 320 HB3 ARG 304 HB3 ARG 304 -6.952 -4.217 3.029 321 HG2 ARG 304 HG2 ARG 304 -8.942 -4.945 4.475 322 HG3 ARG 304 HG3 ARG 304 -8.965 -6.422 3.514 323 HD2 ARG 304 HD2 ARG 304 -6.709 -6.973 4.172 324 HD3 ARG 304 HD3 ARG 304 -6.511 -5.418 4.980 325 HE ARG 304 HE ARG 304 -7.713 -7.741 6.102 326 HH21 ARG 304 HH11 ARG 304 -8.807 -7.538 8.051 327 HH22 ARG 304 HH12 ARG 304 -9.306 -5.976 8.600 328 HH11 ARG 304 HH21 ARG 304 -8.000 -4.324 5.886 329 HH12 ARG 304 HH22 ARG 304 -8.846 -4.166 7.385 330 H ASP 305 H ASP 305 -7.494 -1.759 2.328 331 HA ASP 305 HA ASP 305 -7.214 -1.443 -0.613 332 HB2 ASP 305 HB2 ASP 305 -6.790 0.906 -0.202 333 HB3 ASP 305 HB3 ASP 305 -8.287 0.421 0.589 334 H ALA 306 H ALA 306 -5.519 -3.095 1.287 335 HA ALA 306 HA ALA 306 -2.982 -2.410 0.051 336 HB2 ALA 306 HB1 ALA 306 -1.785 -1.878 1.924 337 HB3 ALA 306 HB2 ALA 306 -2.691 -3.001 2.938 338 HB1 ALA 306 HB3 ALA 306 -3.357 -1.410 2.572 339 H LEU 307 H LEU 307 -1.504 -4.242 0.197 340 HA LEU 307 HA LEU 307 -2.823 -6.785 0.050 341 HB2 LEU 307 HB2 LEU 307 -0.475 -7.682 0.076 342 HB3 LEU 307 HB3 LEU 307 -0.911 -6.640 -1.249 343 HG LEU 307 HG LEU 307 0.245 -4.924 0.572 344 HD13 LEU 307 HD11 LEU 307 2.243 -5.934 1.414 345 HD12 LEU 307 HD12 LEU 307 1.941 -7.427 0.524 346 HD11 LEU 307 HD13 LEU 307 0.894 -6.977 1.871 347 HD21 LEU 307 HD21 LEU 307 0.656 -4.868 -1.829 348 HD23 LEU 307 HD22 LEU 307 1.610 -6.348 -1.713 349 HD22 LEU 307 HD23 LEU 307 2.173 -4.870 -0.931 No H/Q in entry = 349 In of MODEL 1 1 HA PRO 308 HA PRO 308 -2.761 -7.312 4.402 2 HB2 PRO 308 HB2 PRO 308 -3.918 -9.801 4.582 3 HB3 PRO 308 HB3 PRO 308 -4.825 -8.300 4.326 4 HG2 PRO 308 HG2 PRO 308 -4.189 -10.458 2.453 5 HG3 PRO 308 HG3 PRO 308 -5.518 -9.298 2.437 6 HD2 PRO 308 HD2 PRO 308 -3.145 -9.139 0.812 7 HD3 PRO 308 HD3 PRO 308 -4.366 -7.864 1.032 8 H THR 309 H THR 309 -1.135 -7.850 5.646 9 HA THR 309 HA THR 309 1.102 -9.287 4.729 10 HB THR 309 HB THR 309 1.842 -9.053 7.139 11 HG1 THR 309 HG1 THR 309 -0.722 -7.820 7.361 12 HG21 THR 309 HG21 THR 309 0.733 -6.622 5.756 13 HG23 THR 309 HG22 THR 309 2.326 -7.339 5.509 14 HG22 THR 309 HG23 THR 309 1.923 -6.593 7.057 15 H GLU 310 H GLU 310 2.120 -10.947 6.325 16 HA GLU 310 HA GLU 310 0.605 -13.285 6.291 17 HB2 GLU 310 HB2 GLU 310 2.239 -14.232 7.727 18 HB3 GLU 310 HB3 GLU 310 3.071 -13.132 6.635 19 HG2 GLU 310 HG2 GLU 310 2.297 -12.631 9.480 20 HG3 GLU 310 HG3 GLU 310 3.916 -12.880 8.851 21 H GLU 311 H GLU 311 1.105 -10.940 8.896 22 HA GLU 311 HA GLU 311 -0.372 -12.313 10.827 23 HB2 GLU 311 HB2 GLU 311 -0.121 -10.369 12.175 24 HB3 GLU 311 HB3 GLU 311 1.340 -10.575 11.244 25 HG2 GLU 311 HG2 GLU 311 0.850 -8.702 9.886 26 HG3 GLU 311 HG3 GLU 311 -0.822 -8.655 10.412 27 H GLU 312 H GLU 312 -1.422 -9.766 8.564 28 HA GLU 312 HA GLU 312 -4.006 -9.547 9.749 29 HB2 GLU 312 HB2 GLU 312 -3.179 -7.706 8.446 30 HB3 GLU 312 HB3 GLU 312 -3.045 -8.719 7.011 31 HG2 GLU 312 HG2 GLU 312 -5.074 -7.349 6.869 32 HG3 GLU 312 HG3 GLU 312 -5.503 -9.042 7.004 33 H GLN 313 H GLN 313 -2.620 -11.582 7.283 34 HA GLN 313 HA GLN 313 -5.094 -12.623 6.344 35 HB2 GLN 313 HB2 GLN 313 -2.794 -12.706 5.222 36 HB3 GLN 313 HB3 GLN 313 -2.467 -14.070 6.275 37 HG2 GLN 313 HG2 GLN 313 -4.512 -13.857 4.067 38 HG3 GLN 313 HG3 GLN 313 -3.187 -15.001 4.216 39 HE21 GLN 313 HE21 GLN 313 -6.474 -14.608 4.567 40 HE22 GLN 313 HE22 GLN 313 -6.822 -15.930 5.574 41 H PHE 314 H PHE 314 -2.650 -13.712 8.587 42 HA PHE 314 HA PHE 314 -3.691 -16.140 9.363 43 HB2 PHE 314 HB2 PHE 314 -2.091 -13.999 10.667 44 HB3 PHE 314 HB3 PHE 314 -2.690 -15.321 11.650 45 HD1 PHE 314 HD1 PHE 314 0.121 -14.219 10.032 46 HD2 PHE 314 HD2 PHE 314 -2.379 -17.711 10.272 47 HE1 PHE 314 HE1 PHE 314 2.049 -15.609 9.339 48 HE2 PHE 314 HE2 PHE 314 -0.491 -19.094 9.568 49 HZ PHE 314 HZ PHE 314 1.750 -18.041 9.109 50 H ALA 315 H ALA 315 -4.435 -12.872 10.603 51 HA ALA 315 HA ALA 315 -6.123 -13.719 12.673 52 HB2 ALA 315 HB1 ALA 315 -6.884 -11.363 12.773 53 HB3 ALA 315 HB2 ALA 315 -6.076 -11.044 11.239 54 HB1 ALA 315 HB3 ALA 315 -5.127 -11.474 12.662 55 H ALA 316 H ALA 316 -6.726 -12.639 9.423 56 HA ALA 316 HA ALA 316 -9.517 -12.652 9.421 57 HB2 ALA 316 HB1 ALA 316 -9.322 -12.571 7.054 58 HB1 ALA 316 HB2 ALA 316 -7.683 -13.221 7.119 59 HB3 ALA 316 HB3 ALA 316 -8.017 -11.604 7.740 60 H TYR 317 H TYR 317 -7.124 -15.128 8.524 61 HA TYR 317 HA TYR 317 -9.020 -17.104 7.813 62 HB2 TYR 317 HB2 TYR 317 -6.479 -17.029 7.285 63 HB3 TYR 317 HB3 TYR 317 -6.305 -17.851 8.826 64 HD1 TYR 317 HD1 TYR 317 -5.498 -19.086 6.163 65 HD2 TYR 317 HD2 TYR 317 -9.176 -19.217 8.317 66 HE1 TYR 317 HE1 TYR 317 -6.085 -21.287 5.098 67 HE2 TYR 317 HE2 TYR 317 -9.760 -21.346 7.276 68 HH TYR 317 HH TYR 317 -9.224 -22.853 5.952 69 H LYS 318 H LYS 318 -7.392 -16.373 10.821 70 HA LYS 318 HA LYS 318 -8.225 -18.598 12.349 71 HB2 LYS 318 HB2 LYS 318 -6.471 -17.148 13.174 72 HB3 LYS 318 HB3 LYS 318 -7.548 -15.774 13.188 73 HG2 LYS 318 HG2 LYS 318 -8.775 -17.597 14.955 74 HG3 LYS 318 HG3 LYS 318 -7.052 -17.775 15.284 75 HD2 LYS 318 HD2 LYS 318 -6.837 -15.357 15.639 76 HD3 LYS 318 HD3 LYS 318 -8.511 -15.108 15.189 77 HE2 LYS 318 HE2 LYS 318 -9.222 -16.377 17.232 78 HE3 LYS 318 HE3 LYS 318 -7.537 -16.577 17.680 79 HZ1 LYS 318 HZ1 LYS 318 -7.386 -14.120 17.760 80 HZ3 LYS 318 HZ2 LYS 318 -8.449 -14.782 18.910 81 HZ2 LYS 318 HZ3 LYS 318 -9.061 -14.040 17.508 82 H ALA 319 H ALA 319 -9.597 -15.330 11.969 83 HA ALA 319 HA ALA 319 -11.832 -15.771 13.573 84 HB1 ALA 319 HB1 ALA 319 -11.618 -13.994 11.133 85 HB2 ALA 319 HB2 ALA 319 -11.451 -13.523 12.824 86 HB3 ALA 319 HB3 ALA 319 -13.021 -14.029 12.202 87 H VAL 320 H VAL 320 -11.462 -16.483 10.087 88 HA VAL 320 HA VAL 320 -14.116 -17.313 9.738 89 HB VAL 320 HB VAL 320 -11.671 -18.258 8.193 90 HG11 VAL 320 HG11 VAL 320 -13.842 -19.571 7.899 91 HG13 VAL 320 HG12 VAL 320 -13.104 -18.920 6.435 92 HG12 VAL 320 HG13 VAL 320 -14.496 -18.112 7.156 93 HG21 VAL 320 HG21 VAL 320 -12.419 -15.721 8.391 94 HG23 VAL 320 HG22 VAL 320 -13.500 -16.236 7.095 95 HG22 VAL 320 HG23 VAL 320 -11.754 -16.417 6.914 96 H ALA 321 H ALA 321 -11.153 -19.160 10.363 97 HA ALA 321 HA ALA 321 -12.168 -21.708 10.452 98 HB2 ALA 321 HB1 ALA 321 -10.305 -22.203 11.943 99 HB1 ALA 321 HB2 ALA 321 -10.059 -20.473 12.184 100 HB3 ALA 321 HB3 ALA 321 -9.828 -21.186 10.586 101 H GLU 322 H GLU 322 -12.333 -19.182 12.828 102 HA GLU 322 HA GLU 322 -13.411 -21.014 14.776 103 HB2 GLU 322 HB2 GLU 322 -11.748 -19.386 15.484 104 HB3 GLU 322 HB3 GLU 322 -12.826 -18.072 15.032 105 HG2 GLU 322 HG2 GLU 322 -14.482 -18.889 16.661 106 HG3 GLU 322 HG3 GLU 322 -13.390 -20.182 17.116 107 H ALA 323 H ALA 323 -14.581 -18.422 12.712 108 HA ALA 323 HA ALA 323 -17.200 -18.393 13.870 109 HB1 ALA 323 HB1 ALA 323 -16.417 -17.692 11.069 110 HB2 ALA 323 HB2 ALA 323 -16.306 -16.594 12.446 111 HB3 ALA 323 HB3 ALA 323 -17.878 -17.207 11.927 112 H CYS 324 H CYS 324 -15.501 -20.701 12.103 113 HA CYS 324 HA CYS 324 -17.999 -21.793 11.054 114 HB2 CYS 324 HB2 CYS 324 -15.252 -22.881 10.556 115 HB3 CYS 324 HB3 CYS 324 -16.746 -23.234 9.678 116 HG CYS 324 HG CYS 324 -16.587 -21.080 8.487 117 H GLY 325 H GLY 325 -16.330 -22.030 13.869 118 HA3 GLY 325 HA2 GLY 325 -16.496 -23.497 15.631 119 HA2 GLY 325 HA3 GLY 325 -17.955 -24.080 14.837 120 H SER 326 H SER 326 -17.924 -26.172 14.579 121 HA SER 326 HA SER 326 -15.496 -27.668 14.755 122 HB2 SER 326 HB2 SER 326 -16.977 -29.630 14.474 123 HB3 SER 326 HB3 SER 326 -17.585 -28.526 15.706 124 HG SER 326 HG SER 326 -18.911 -29.401 13.678 125 H GLN 327 H GLN 327 -17.278 -26.253 12.216 126 HA GLN 327 HA GLN 327 -16.905 -28.228 10.254 127 HB2 GLN 327 HB2 GLN 327 -17.637 -25.318 10.022 128 HB3 GLN 327 HB3 GLN 327 -17.681 -26.456 8.676 129 HG2 GLN 327 HG2 GLN 327 -19.246 -27.893 9.968 130 HG3 GLN 327 HG3 GLN 327 -19.238 -26.704 11.269 131 HE21 GLN 327 HE21 GLN 327 -21.684 -26.706 10.672 132 HE22 GLN 327 HE22 GLN 327 -22.171 -25.631 9.454 133 H ALA 328 H ALA 328 -15.777 -28.294 8.373 134 HA ALA 328 HA ALA 328 -13.038 -27.370 8.489 135 HB1 ALA 328 HB1 ALA 328 -14.546 -29.191 6.572 136 HB2 ALA 328 HB2 ALA 328 -13.393 -29.675 7.817 137 HB3 ALA 328 HB3 ALA 328 -12.835 -28.799 6.391 138 H VAL 329 H VAL 329 -12.144 -25.771 7.242 139 HA VAL 329 HA VAL 329 -13.858 -24.656 5.126 140 HB VAL 329 HB VAL 329 -11.720 -23.119 6.590 141 HG11 VAL 329 HG11 VAL 329 -12.677 -22.549 4.236 142 HG13 VAL 329 HG12 VAL 329 -12.408 -21.303 5.454 143 HG12 VAL 329 HG13 VAL 329 -14.031 -21.946 5.190 144 HG22 VAL 329 HG21 VAL 329 -13.144 -22.970 8.274 145 HG21 VAL 329 HG22 VAL 329 -14.377 -23.857 7.376 146 HG23 VAL 329 HG23 VAL 329 -14.236 -22.108 7.190 147 H ILE 330 H ILE 330 -13.092 -24.699 3.072 148 HA ILE 330 HA ILE 330 -10.342 -25.665 2.741 149 HB ILE 330 HB ILE 330 -12.615 -25.677 0.718 150 HG12 ILE 330 HG12 ILE 330 -12.535 -27.999 0.846 151 HG13 ILE 330 HG13 ILE 330 -10.892 -28.012 1.456 152 HG21 ILE 330 HG21 ILE 330 -9.708 -26.388 0.423 153 HG23 ILE 330 HG22 ILE 330 -10.560 -25.080 -0.399 154 HG22 ILE 330 HG23 ILE 330 -10.963 -26.760 -0.758 155 HD12 ILE 330 HD11 ILE 330 -12.695 -28.724 3.123 156 HD11 ILE 330 HD12 ILE 330 -13.244 -27.049 3.124 157 HD13 ILE 330 HD13 ILE 330 -11.619 -27.443 3.685 158 H VAL 331 H VAL 331 -9.074 -24.022 2.932 159 HA VAL 331 HA VAL 331 -9.760 -21.372 2.012 160 HB VAL 331 HB VAL 331 -8.504 -21.741 4.142 161 HG12 VAL 331 HG11 VAL 331 -5.985 -22.240 2.830 162 HG11 VAL 331 HG12 VAL 331 -7.135 -23.565 2.644 163 HG13 VAL 331 HG13 VAL 331 -6.696 -22.994 4.254 164 HG22 VAL 331 HG21 VAL 331 -7.926 -19.609 3.598 165 HG21 VAL 331 HG22 VAL 331 -7.539 -20.035 1.932 166 HG23 VAL 331 HG23 VAL 331 -6.358 -20.319 3.210 167 H ARG 332 H ARG 332 -9.461 -20.913 -0.137 168 HA ARG 332 HA ARG 332 -7.395 -22.454 -1.557 169 HB2 ARG 332 HB2 ARG 332 -8.435 -21.946 -3.531 170 HB3 ARG 332 HB3 ARG 332 -9.818 -21.819 -2.465 171 HG2 ARG 332 HG2 ARG 332 -9.957 -19.558 -2.698 172 HG3 ARG 332 HG3 ARG 332 -8.223 -19.361 -2.917 173 HD2 ARG 332 HD2 ARG 332 -8.331 -20.008 -5.187 174 HD3 ARG 332 HD3 ARG 332 -9.954 -20.669 -5.005 175 HE ARG 332 HE ARG 332 -10.723 -18.588 -5.513 176 HH21 ARG 332 HH11 ARG 332 -10.784 -16.350 -5.700 177 HH22 ARG 332 HH12 ARG 332 -9.465 -15.400 -5.105 178 HH11 ARG 332 HH21 ARG 332 -7.600 -18.178 -4.002 179 HH12 ARG 332 HH22 ARG 332 -7.635 -16.451 -4.128 180 H THR 333 H THR 333 -5.516 -21.605 -2.136 181 HA THR 333 HA THR 333 -4.751 -19.044 -1.070 182 HB THR 333 HB THR 333 -2.635 -19.399 -2.022 183 HG1 THR 333 HG1 THR 333 -2.681 -20.082 -4.002 184 HG22 THR 333 HG21 THR 333 -3.788 -22.129 -1.354 185 HG21 THR 333 HG22 THR 333 -3.249 -20.946 -0.164 186 HG23 THR 333 HG23 THR 333 -2.087 -21.670 -1.274 187 H MET 334 H MET 334 -3.971 -17.409 -2.435 188 HA MET 334 HA MET 334 -6.173 -16.263 -3.429 189 HB2 MET 334 HB2 MET 334 -3.660 -14.984 -4.133 190 HB3 MET 334 HB3 MET 334 -5.011 -14.401 -3.198 191 HG2 MET 334 HG2 MET 334 -4.192 -15.665 -1.281 192 HG3 MET 334 HG3 MET 334 -2.801 -16.178 -2.252 193 HE1 MET 334 HE1 MET 334 -5.032 -13.222 -1.196 194 HE3 MET 334 HE2 MET 334 -3.974 -11.976 -0.541 195 HE2 MET 334 HE3 MET 334 -4.081 -13.540 0.265 196 H ASP 335 H ASP 335 -7.064 -15.675 -5.280 197 HA ASP 335 HA ASP 335 -5.677 -16.416 -7.758 198 HB2 ASP 335 HB2 ASP 335 -7.374 -18.103 -7.265 199 HB3 ASP 335 HB3 ASP 335 -8.603 -16.849 -7.174 200 H ILE 336 H ILE 336 -5.035 -14.298 -7.875 201 HA ILE 336 HA ILE 336 -7.097 -12.387 -8.639 202 HB ILE 336 HB ILE 336 -4.183 -11.831 -8.020 203 HG12 ILE 336 HG12 ILE 336 -6.460 -11.385 -6.132 204 HG13 ILE 336 HG13 ILE 336 -5.665 -12.946 -6.211 205 HG21 ILE 336 HG21 ILE 336 -5.439 -10.063 -9.247 206 HG23 ILE 336 HG22 ILE 336 -4.886 -9.566 -7.649 207 HG22 ILE 336 HG23 ILE 336 -6.576 -10.003 -7.903 208 HD13 ILE 336 HD11 ILE 336 -3.570 -11.926 -5.658 209 HD12 ILE 336 HD12 ILE 336 -4.794 -11.531 -4.452 210 HD11 ILE 336 HD13 ILE 336 -4.324 -10.334 -5.661 211 H GLY 337 H GLY 337 -7.049 -11.475 -10.697 212 HA3 GLY 337 HA2 GLY 337 -5.636 -10.784 -12.444 213 HA2 GLY 337 HA3 GLY 337 -4.844 -12.327 -12.385 214 H GLY 338 H GLY 338 -8.272 -12.596 -12.575 215 HA3 GLY 338 HA2 GLY 338 -7.963 -12.754 -15.546 216 HA2 GLY 338 HA3 GLY 338 -9.199 -13.678 -14.645 217 H ASP 339 H ASP 339 -11.113 -12.713 -14.356 218 HA ASP 339 HA ASP 339 -11.365 -9.859 -14.794 219 HB2 ASP 339 HB2 ASP 339 -13.721 -10.237 -14.127 220 HB3 ASP 339 HB3 ASP 339 -13.191 -11.191 -15.504 221 H LYS 340 H LYS 340 -10.036 -11.529 -12.240 222 HA LYS 340 HA LYS 340 -11.024 -9.380 -10.557 223 HB2 LYS 340 HB2 LYS 340 -10.378 -12.013 -9.350 224 HB3 LYS 340 HB3 LYS 340 -10.775 -10.555 -8.481 225 HG2 LYS 340 HG2 LYS 340 -12.590 -11.892 -10.421 226 HG3 LYS 340 HG3 LYS 340 -12.572 -12.203 -8.680 227 HD2 LYS 340 HD2 LYS 340 -12.836 -9.797 -8.288 228 HD3 LYS 340 HD3 LYS 340 -12.971 -9.556 -10.024 229 HE2 LYS 340 HE2 LYS 340 -14.794 -11.387 -8.501 230 HE3 LYS 340 HE3 LYS 340 -15.120 -9.679 -8.659 231 HZ2 LYS 340 HZ1 LYS 340 -15.559 -11.811 -10.465 232 HZ1 LYS 340 HZ2 LYS 340 -14.741 -10.511 -11.193 233 HZ3 LYS 340 HZ3 LYS 340 -16.233 -10.255 -10.423 234 H GLU 341 H GLU 341 -9.636 -7.968 -11.102 235 HA GLU 341 HA GLU 341 -6.898 -8.404 -10.293 236 HB2 GLU 341 HB2 GLU 341 -8.334 -6.068 -11.563 237 HB3 GLU 341 HB3 GLU 341 -6.619 -6.064 -11.136 238 HG2 GLU 341 HG2 GLU 341 -6.199 -7.976 -12.609 239 HG3 GLU 341 HG3 GLU 341 -7.909 -8.136 -12.955 240 H LEU 342 H LEU 342 -5.967 -7.181 -8.588 241 HA LEU 342 HA LEU 342 -7.903 -5.585 -7.159 242 HB2 LEU 342 HB2 LEU 342 -6.103 -7.416 -5.797 243 HB3 LEU 342 HB3 LEU 342 -5.963 -5.773 -5.221 244 HG LEU 342 HG LEU 342 -7.518 -7.109 -3.923 245 HD12 LEU 342 HD11 LEU 342 -9.404 -5.269 -5.107 246 HD11 LEU 342 HD12 LEU 342 -7.802 -4.559 -4.910 247 HD13 LEU 342 HD13 LEU 342 -8.639 -5.246 -3.519 248 HD21 LEU 342 HD21 LEU 342 -8.459 -7.872 -6.487 249 HD23 LEU 342 HD22 LEU 342 -9.768 -7.118 -5.579 250 HD22 LEU 342 HD23 LEU 342 -8.904 -8.496 -4.901 No H/Q in entry = 250 In of MODEL 1 1 HA PRO 343 HA PRO 343 -5.979 -2.353 -9.304 2 HB2 PRO 343 HB2 PRO 343 -7.390 -1.042 -6.978 3 HB3 PRO 343 HB3 PRO 343 -7.379 -0.565 -8.693 4 HG2 PRO 343 HG2 PRO 343 -9.484 -1.861 -7.769 5 HG3 PRO 343 HG3 PRO 343 -8.787 -2.362 -9.326 6 HD2 PRO 343 HD2 PRO 343 -8.505 -3.644 -6.635 7 HD3 PRO 343 HD3 PRO 343 -8.678 -4.396 -8.236 8 H TYR 344 H TYR 344 -5.845 -2.477 -5.684 9 HA TYR 344 HA TYR 344 -3.704 -0.694 -5.519 10 HB2 TYR 344 HB2 TYR 344 -3.432 -2.571 -3.392 11 HB3 TYR 344 HB3 TYR 344 -3.802 -0.872 -3.361 12 HD1 TYR 344 HD1 TYR 344 -4.934 -4.098 -2.532 13 HD2 TYR 344 HD2 TYR 344 -6.412 -0.320 -3.903 14 HE1 TYR 344 HE1 TYR 344 -7.188 -4.699 -1.754 15 HE2 TYR 344 HE2 TYR 344 -8.683 -0.927 -3.162 16 HH TYR 344 HH TYR 344 -9.999 -2.616 -2.317 17 HA MET 345 HA MET 345 -0.692 -4.118 -6.121 18 HB2 MET 345 HB2 MET 345 -2.313 -6.045 -6.512 19 HG2 MET 345 HG2 MET 345 0.366 -5.888 -7.696 20 HE1 MET 345 HE1 MET 345 -3.017 -8.235 -7.450 21 HE3 MET 345 HE2 MET 345 -2.230 -9.751 -7.024 22 HE2 MET 345 HE3 MET 345 -2.780 -9.496 -8.676 23 H MET 345 HN MET 345 -3.491 -3.780 -6.847 24 HB3 MET 345 HB1 MET 345 -2.140 -5.697 -8.217 25 HG3 MET 345 HG1 MET 345 -0.177 -6.723 -6.269 26 H ASN 346 H ASN 346 -2.508 -2.586 -8.562 27 HA ASN 346 HA ASN 346 -1.956 -1.578 -10.518 28 HB2 ASN 346 HB2 ASN 346 0.752 -1.270 -9.245 29 HB3 ASN 346 HB3 ASN 346 0.067 -0.284 -10.529 30 HD21 ASN 346 HD21 ASN 346 -0.326 -1.185 -7.050 31 HD22 ASN 346 HD22 ASN 346 -1.142 0.230 -6.590 32 H PHE 347 H PHE 347 -1.509 -4.497 -10.488 33 HA PHE 347 HA PHE 347 0.818 -5.147 -11.895 34 HB2 PHE 347 HB2 PHE 347 -0.082 -7.198 -12.014 35 HB3 PHE 347 HB3 PHE 347 -1.360 -6.544 -11.003 36 HD1 PHE 347 HD1 PHE 347 -0.967 -8.581 -13.669 37 HD2 PHE 347 HD2 PHE 347 -3.034 -4.974 -12.701 38 HE1 PHE 347 HE1 PHE 347 -2.605 -9.022 -15.454 39 HE2 PHE 347 HE2 PHE 347 -4.661 -5.434 -14.487 40 HZ PHE 347 HZ PHE 347 -4.452 -7.460 -15.864 No H/Q in entry = 40 In of MODEL 1 1 HA PRO 348 HA PRO 348 0.063 -3.245 -15.754 2 HB2 PRO 348 HB2 PRO 348 1.380 -4.874 -17.485 3 HB3 PRO 348 HB3 PRO 348 2.212 -3.771 -16.371 4 HG2 PRO 348 HG2 PRO 348 1.783 -6.723 -16.136 5 HG3 PRO 348 HG3 PRO 348 3.205 -5.760 -15.718 6 HD2 PRO 348 HD2 PRO 348 1.361 -6.625 -13.839 7 HD3 PRO 348 HD3 PRO 348 2.348 -5.158 -13.639 8 H LYS 349 H LYS 349 -1.098 -3.478 -17.761 9 HA LYS 349 HA LYS 349 -3.302 -5.266 -17.640 10 HB2 LYS 349 HB2 LYS 349 -2.371 -3.238 -19.634 11 HB3 LYS 349 HB3 LYS 349 -3.683 -4.337 -20.029 12 HG2 LYS 349 HG2 LYS 349 -4.703 -2.343 -19.188 13 HG3 LYS 349 HG3 LYS 349 -4.850 -3.546 -17.918 14 HD2 LYS 349 HD2 LYS 349 -3.418 -2.394 -16.464 15 HD3 LYS 349 HD3 LYS 349 -2.420 -1.775 -17.767 16 HE2 LYS 349 HE2 LYS 349 -3.770 0.110 -18.087 17 HE3 LYS 349 HE3 LYS 349 -5.209 -0.682 -17.469 18 HZ2 LYS 349 HZ1 LYS 349 -3.346 0.980 -16.086 19 HZ1 LYS 349 HZ2 LYS 349 -3.444 -0.532 -15.322 20 HZ3 LYS 349 HZ3 LYS 349 -4.848 0.395 -15.555 21 H GLU 350 H GLU 350 -3.924 -6.798 -19.110 22 HA GLU 350 HA GLU 350 -1.819 -8.066 -20.742 23 HB2 GLU 350 HB2 GLU 350 -2.316 -9.299 -18.586 24 HB3 GLU 350 HB3 GLU 350 -3.910 -9.620 -19.253 25 HG2 GLU 350 HG2 GLU 350 -2.542 -11.487 -19.701 26 HG3 GLU 350 HG3 GLU 350 -2.807 -10.636 -21.215 27 H GLU 351 H GLU 351 -2.481 -9.075 -22.583 28 HA GLU 351 HA GLU 351 -4.728 -7.954 -23.831 29 HB2 GLU 351 HB2 GLU 351 -4.055 -9.147 -25.768 30 HB3 GLU 351 HB3 GLU 351 -2.598 -8.606 -24.951 31 HG2 GLU 351 HG2 GLU 351 -2.322 -10.869 -23.972 32 HG3 GLU 351 HG3 GLU 351 -3.768 -11.403 -24.820 33 H ASN 352 H ASN 352 -4.222 -11.058 -22.220 34 HA ASN 352 HA ASN 352 -7.141 -11.387 -22.264 35 HB2 ASN 352 HB2 ASN 352 -5.232 -13.578 -23.092 36 HB3 ASN 352 HB3 ASN 352 -6.803 -13.942 -22.401 37 HD21 ASN 352 HD21 ASN 352 -8.373 -14.253 -23.800 38 HD22 ASN 352 HD22 ASN 352 -8.438 -13.639 -25.381 No H/Q in entry = 38 In of MODEL 1 1 HA PRO 353 HA PRO 353 -5.272 -11.451 -18.202 2 HB2 PRO 353 HB2 PRO 353 -8.079 -11.140 -17.267 3 HB3 PRO 353 HB3 PRO 353 -6.634 -10.218 -16.819 4 HG2 PRO 353 HG2 PRO 353 -8.585 -9.278 -18.416 5 HG3 PRO 353 HG3 PRO 353 -6.900 -8.746 -18.491 6 HD2 PRO 353 HD2 PRO 353 -8.395 -10.475 -20.420 7 HD3 PRO 353 HD3 PRO 353 -6.926 -9.511 -20.692 8 H PHE 354 H PHE 354 -8.272 -13.101 -19.206 9 HA PHE 354 HA PHE 354 -8.131 -15.012 -17.136 10 HB2 PHE 354 HB2 PHE 354 -9.808 -14.603 -19.471 11 HB3 PHE 354 HB3 PHE 354 -9.597 -16.290 -19.042 12 HD1 PHE 354 HD1 PHE 354 -11.586 -13.477 -18.555 13 HD2 PHE 354 HD2 PHE 354 -9.766 -16.713 -16.396 14 HE1 PHE 354 HE1 PHE 354 -13.254 -13.181 -16.740 15 HE2 PHE 354 HE2 PHE 354 -11.438 -16.414 -14.571 16 HZ PHE 354 HZ PHE 354 -13.157 -14.680 -14.722 17 H LEU 355 H LEU 355 -6.395 -14.897 -20.020 18 HA LEU 355 HA LEU 355 -5.405 -17.648 -19.614 19 HB2 LEU 355 HB2 LEU 355 -5.007 -15.855 -21.982 20 HB3 LEU 355 HB3 LEU 355 -4.513 -17.523 -21.828 21 HG LEU 355 HG LEU 355 -7.390 -16.700 -21.738 22 HD13 LEU 355 HD11 LEU 355 -6.537 -15.758 -23.766 23 HD12 LEU 355 HD12 LEU 355 -7.371 -17.250 -24.204 24 HD11 LEU 355 HD13 LEU 355 -5.609 -17.212 -24.127 25 HD23 LEU 355 HD21 LEU 355 -7.629 -19.126 -22.453 26 HD22 LEU 355 HD22 LEU 355 -6.861 -18.935 -20.876 27 HD21 LEU 355 HD23 LEU 355 -5.879 -19.297 -22.296 28 H GLY 356 H GLY 356 -4.732 -15.132 -18.105 29 HA3 GLY 356 HA2 GLY 356 -1.962 -14.733 -19.038 30 HA2 GLY 356 HA3 GLY 356 -2.931 -13.516 -18.226 31 H TRP 357 H TRP 357 -1.578 -13.082 -16.689 32 HA TRP 357 HA TRP 357 -0.136 -15.060 -15.202 33 HB2 TRP 357 HB2 TRP 357 0.726 -12.891 -16.130 34 HB3 TRP 357 HB3 TRP 357 -0.252 -12.063 -14.946 35 HD1 TRP 357 HD1 TRP 357 1.771 -15.158 -13.858 36 HE1 TRP 357 HE1 TRP 357 3.737 -14.406 -12.369 37 HE3 TRP 357 HE3 TRP 357 1.317 -10.100 -14.379 38 HZ2 TRP 357 HZ2 TRP 357 4.944 -12.004 -11.534 39 HZ3 TRP 357 HZ3 TRP 357 2.911 -8.644 -13.205 40 HH2 TRP 357 HH2 TRP 357 4.687 -9.579 -11.799 41 H ARG 358 H ARG 358 -1.965 -15.978 -14.297 42 HA ARG 358 HA ARG 358 -3.496 -14.400 -12.379 43 HB2 ARG 358 HB2 ARG 358 -4.039 -16.425 -14.437 44 HB3 ARG 358 HB3 ARG 358 -5.007 -16.545 -12.986 45 HG2 ARG 358 HG2 ARG 358 -5.816 -14.326 -13.306 46 HG3 ARG 358 HG3 ARG 358 -4.749 -14.106 -14.692 47 HD2 ARG 358 HD2 ARG 358 -7.001 -16.152 -14.501 48 HD3 ARG 358 HD3 ARG 358 -7.028 -14.676 -15.467 49 HE ARG 358 HE ARG 358 -5.340 -15.618 -16.866 50 HH21 ARG 358 HH11 ARG 358 -4.617 -17.417 -17.988 51 HH22 ARG 358 HH12 ARG 358 -4.926 -18.999 -17.352 52 HH11 ARG 358 HH21 ARG 358 -6.629 -17.828 -14.545 53 HH12 ARG 358 HH22 ARG 358 -6.069 -19.229 -15.396 54 H ALA 359 H ALA 359 -3.875 -15.082 -10.345 55 HA ALA 359 HA ALA 359 -3.836 -16.285 -8.395 56 HB2 ALA 359 HB1 ALA 359 -5.378 -17.718 -9.665 57 HB3 ALA 359 HB2 ALA 359 -4.315 -18.743 -8.701 58 HB1 ALA 359 HB3 ALA 359 -4.024 -18.552 -10.429 59 H ILE 360 H ILE 360 -2.594 -19.128 -9.417 60 HA ILE 360 HA ILE 360 -0.440 -18.999 -7.646 61 HB ILE 360 HB ILE 360 -1.751 -20.880 -8.071 62 HG12 ILE 360 HG12 ILE 360 0.754 -20.731 -7.459 63 HG13 ILE 360 HG13 ILE 360 -0.158 -22.242 -7.480 64 HG23 ILE 360 HG21 ILE 360 -1.821 -22.254 -9.922 65 HG22 ILE 360 HG22 ILE 360 -0.559 -21.340 -10.749 66 HG21 ILE 360 HG23 ILE 360 -2.139 -20.608 -10.467 67 HD12 ILE 360 HD11 ILE 360 2.081 -22.269 -8.680 68 HD11 ILE 360 HD12 ILE 360 1.330 -21.226 -9.888 69 HD13 ILE 360 HD13 ILE 360 0.695 -22.846 -9.601 70 H ARG 361 H ARG 361 -0.599 -18.176 -10.928 71 HA ARG 361 HA ARG 361 2.105 -18.621 -11.583 72 HB2 ARG 361 HB2 ARG 361 0.097 -16.745 -12.808 73 HB3 ARG 361 HB3 ARG 361 1.595 -17.316 -13.549 74 HG2 ARG 361 HG2 ARG 361 -0.346 -19.302 -12.499 75 HG3 ARG 361 HG3 ARG 361 -0.696 -18.504 -14.024 76 HD2 ARG 361 HD2 ARG 361 0.421 -20.489 -14.553 77 HD3 ARG 361 HD3 ARG 361 1.602 -19.195 -14.757 78 HE ARG 361 HE ARG 361 1.655 -20.319 -12.108 79 HH21 ARG 361 HH11 ARG 361 3.491 -21.624 -11.552 80 HH22 ARG 361 HH12 ARG 361 4.534 -22.183 -12.817 81 HH11 ARG 361 HH21 ARG 361 2.645 -20.691 -15.412 82 HH12 ARG 361 HH22 ARG 361 4.045 -21.644 -15.052 83 H ILE 362 H ILE 362 0.354 -16.178 -9.919 84 HA ILE 362 HA ILE 362 2.467 -14.174 -10.055 85 HB ILE 362 HB ILE 362 -0.038 -13.711 -9.782 86 HG12 ILE 362 HG12 ILE 362 0.373 -11.762 -8.332 87 HG13 ILE 362 HG13 ILE 362 1.945 -12.418 -7.921 88 HG22 ILE 362 HG21 ILE 362 0.520 -14.102 -6.875 89 HG21 ILE 362 HG22 ILE 362 -0.126 -15.405 -7.875 90 HG23 ILE 362 HG23 ILE 362 -1.025 -13.897 -7.700 91 HD12 ILE 362 HD11 ILE 362 1.486 -10.615 -9.969 92 HD11 ILE 362 HD12 ILE 362 1.495 -12.146 -10.844 93 HD13 ILE 362 HD13 ILE 362 2.893 -11.677 -9.876 94 H ALA 363 H ALA 363 0.964 -16.236 -7.563 95 HA ALA 363 HA ALA 363 2.648 -15.353 -5.542 96 HB3 ALA 363 HB1 ALA 363 1.446 -16.690 -4.250 97 HB2 ALA 363 HB2 ALA 363 1.733 -18.099 -5.270 98 HB1 ALA 363 HB3 ALA 363 0.469 -16.944 -5.693 99 HA MET 364 HA MET 364 5.631 -18.677 -6.857 100 HB2 MET 364 HB2 MET 364 4.382 -20.267 -8.175 101 HG2 MET 364 HG2 MET 364 6.071 -21.095 -9.677 102 HE1 MET 364 HE1 MET 364 9.009 -20.985 -9.627 103 HE3 MET 364 HE2 MET 364 9.689 -21.853 -8.255 104 HE2 MET 364 HE3 MET 364 9.839 -20.099 -8.331 105 H MET 364 HN MET 364 3.178 -17.692 -8.063 106 HB3 MET 364 HB1 MET 364 4.473 -19.226 -9.587 107 HG3 MET 364 HG1 MET 364 6.863 -19.528 -9.712 108 H ASP 365 H ASP 365 4.792 -15.988 -8.828 109 HA ASP 365 HA ASP 365 7.638 -15.797 -9.543 110 HB2 ASP 365 HB2 ASP 365 6.058 -15.353 -11.379 111 HB3 ASP 365 HB3 ASP 365 5.408 -13.993 -10.473 112 H ARG 366 H ARG 366 5.672 -15.027 -7.054 113 HA ARG 366 HA ARG 366 7.619 -13.038 -6.144 114 HB2 ARG 366 HB2 ARG 366 4.630 -12.611 -6.021 115 HB3 ARG 366 HB3 ARG 366 5.843 -11.582 -5.290 116 HG2 ARG 366 HG2 ARG 366 5.685 -12.076 -8.232 117 HG3 ARG 366 HG3 ARG 366 4.833 -10.758 -7.414 118 HD2 ARG 366 HD2 ARG 366 6.956 -10.109 -6.396 119 HD3 ARG 366 HD3 ARG 366 7.755 -11.323 -7.390 120 HE ARG 366 HE ARG 366 6.569 -8.829 -8.296 121 HH21 ARG 366 HH11 ARG 366 7.139 -8.177 -10.389 122 HH22 ARG 366 HH12 ARG 366 7.966 -9.283 -11.434 123 HH11 ARG 366 HH21 ARG 366 8.039 -11.899 -9.079 124 HH12 ARG 366 HH22 ARG 366 8.484 -11.419 -10.683 125 H ARG 367 H ARG 367 8.202 -14.931 -4.941 126 HA ARG 367 HA ARG 367 6.545 -16.524 -3.516 127 HB2 ARG 367 HB2 ARG 367 8.847 -17.033 -3.899 128 HB3 ARG 367 HB3 ARG 367 9.344 -15.747 -2.808 129 HG2 ARG 367 HG2 ARG 367 8.518 -16.884 -0.911 130 HG3 ARG 367 HG3 ARG 367 7.558 -17.992 -1.894 131 HD2 ARG 367 HD2 ARG 367 9.602 -19.077 -1.043 132 HD3 ARG 367 HD3 ARG 367 9.579 -19.003 -2.795 133 HE ARG 367 HE ARG 367 11.205 -17.212 -2.658 134 HH21 ARG 367 HH11 ARG 367 13.186 -16.606 -1.758 135 HH22 ARG 367 HH12 ARG 367 13.619 -17.174 -0.180 136 HH11 ARG 367 HH21 ARG 367 10.668 -18.970 0.318 137 HH12 ARG 367 HH22 ARG 367 12.195 -18.512 0.996 138 H GLU 368 H GLU 368 7.801 -13.403 -2.290 139 HA GLU 368 HA GLU 368 7.110 -13.673 0.360 140 HB2 GLU 368 HB2 GLU 368 6.346 -11.169 -1.110 141 HB3 GLU 368 HB3 GLU 368 6.898 -11.341 0.540 142 HG2 GLU 368 HG2 GLU 368 8.763 -10.419 -0.472 143 HG3 GLU 368 HG3 GLU 368 9.142 -12.125 -0.564 144 H ILE 369 H ILE 369 4.881 -13.400 -2.367 145 HA ILE 369 HA ILE 369 2.539 -12.834 -0.809 146 HB ILE 369 HB ILE 369 2.693 -13.869 -3.668 147 HG12 ILE 369 HG12 ILE 369 3.987 -11.859 -3.506 148 HG13 ILE 369 HG13 ILE 369 2.473 -11.500 -4.317 149 HG21 ILE 369 HG21 ILE 369 0.528 -12.355 -2.229 150 HG23 ILE 369 HG22 ILE 369 0.469 -14.047 -2.724 151 HG22 ILE 369 HG23 ILE 369 0.526 -12.772 -3.941 152 HD13 ILE 369 HD11 ILE 369 2.720 -9.707 -2.855 153 HD12 ILE 369 HD12 ILE 369 3.379 -10.717 -1.567 154 HD11 ILE 369 HD13 ILE 369 1.658 -10.787 -1.952 155 H LEU 370 H LEU 370 3.573 -15.679 -2.646 156 HA LEU 370 HA LEU 370 1.710 -17.504 -1.737 157 HB2 LEU 370 HB2 LEU 370 3.321 -17.786 -3.590 158 HB3 LEU 370 HB3 LEU 370 4.607 -17.929 -2.406 159 HG LEU 370 HG LEU 370 3.060 -19.808 -1.441 160 HD11 LEU 370 HD11 LEU 370 1.335 -19.126 -3.236 161 HD13 LEU 370 HD12 LEU 370 1.593 -20.839 -2.904 162 HD12 LEU 370 HD13 LEU 370 2.324 -20.097 -4.328 163 HD21 LEU 370 HD21 LEU 370 5.344 -20.076 -2.244 164 HD23 LEU 370 HD22 LEU 370 4.753 -20.178 -3.903 165 HD22 LEU 370 HD23 LEU 370 4.326 -21.429 -2.736 166 H ARG 371 H ARG 371 4.869 -16.531 -0.329 167 HA ARG 371 HA ARG 371 4.845 -18.512 1.652 168 HB2 ARG 371 HB2 ARG 371 6.898 -17.551 1.030 169 HB3 ARG 371 HB3 ARG 371 6.348 -15.936 1.447 170 HG2 ARG 371 HG2 ARG 371 6.159 -16.674 3.817 171 HG3 ARG 371 HG3 ARG 371 6.863 -18.218 3.348 172 HD2 ARG 371 HD2 ARG 371 8.132 -15.561 3.631 173 HD3 ARG 371 HD3 ARG 371 8.778 -17.162 3.966 174 HE ARG 371 HE ARG 371 8.530 -17.075 1.240 175 HH21 ARG 371 HH11 ARG 371 10.111 -16.461 -0.184 176 HH22 ARG 371 HH12 ARG 371 11.390 -15.407 0.321 177 HH11 ARG 371 HH21 ARG 371 10.245 -15.055 3.594 178 HH12 ARG 371 HH22 ARG 371 11.471 -14.611 2.453 179 H ASP 372 H ASP 372 4.101 -15.046 1.974 180 HA ASP 372 HA ASP 372 3.473 -14.882 4.672 181 HB2 ASP 372 HB2 ASP 372 2.303 -12.937 4.166 182 HB3 ASP 372 HB3 ASP 372 3.353 -13.054 2.764 183 H GLN 373 H GLN 373 1.449 -15.614 1.835 184 HA GLN 373 HA GLN 373 -0.843 -15.993 3.391 185 HB2 GLN 373 HB2 GLN 373 -0.772 -15.619 0.864 186 HB3 GLN 373 HB3 GLN 373 -0.568 -17.362 0.741 187 HG2 GLN 373 HG2 GLN 373 -2.736 -16.686 2.566 188 HG3 GLN 373 HG3 GLN 373 -2.992 -15.952 0.993 189 HE21 GLN 373 HE21 GLN 373 -4.685 -17.880 2.048 190 HE22 GLN 373 HE22 GLN 373 -4.577 -19.297 1.121 191 H LEU 374 H LEU 374 1.206 -18.577 1.944 192 HA LEU 374 HA LEU 374 -0.322 -20.624 3.086 193 HB2 LEU 374 HB2 LEU 374 2.392 -20.431 1.973 194 HB3 LEU 374 HB3 LEU 374 2.032 -21.827 2.983 195 HG LEU 374 HG LEU 374 0.137 -22.390 1.602 196 HD13 LEU 374 HD11 LEU 374 -0.864 -20.472 0.829 197 HD12 LEU 374 HD12 LEU 374 0.029 -20.900 -0.631 198 HD11 LEU 374 HD13 LEU 374 0.671 -19.679 0.467 199 HD22 LEU 374 HD21 LEU 374 1.338 -23.345 -0.182 200 HD21 LEU 374 HD22 LEU 374 2.651 -22.961 0.931 201 HD23 LEU 374 HD23 LEU 374 2.318 -21.901 -0.438 202 H ARG 375 H ARG 375 2.548 -19.017 4.353 203 HA ARG 375 HA ARG 375 2.850 -20.177 6.845 204 HB2 ARG 375 HB2 ARG 375 4.003 -18.097 5.657 205 HB3 ARG 375 HB3 ARG 375 2.870 -17.205 6.651 206 HG2 ARG 375 HG2 ARG 375 3.870 -17.949 8.660 207 HG3 ARG 375 HG3 ARG 375 4.698 -19.284 7.857 208 HD2 ARG 375 HD2 ARG 375 6.309 -17.480 8.364 209 HD3 ARG 375 HD3 ARG 375 6.123 -17.652 6.622 210 HE ARG 375 HE ARG 375 4.427 -15.666 7.910 211 HH21 ARG 375 HH11 ARG 375 4.751 -13.488 7.234 212 HH22 ARG 375 HH12 ARG 375 6.116 -13.113 6.236 213 HH11 ARG 375 HH21 ARG 375 7.328 -16.359 6.131 214 HH12 ARG 375 HH22 ARG 375 7.561 -14.721 5.618 215 H ALA 376 H ALA 376 0.702 -17.396 6.111 216 HA ALA 376 HA ALA 376 -0.581 -17.284 8.564 217 HB1 ALA 376 HB1 ALA 376 -1.577 -16.541 5.854 218 HB2 ALA 376 HB2 ALA 376 -0.755 -15.509 7.026 219 HB3 ALA 376 HB3 ALA 376 -2.372 -16.123 7.371 220 H ILE 377 H ILE 377 -1.598 -19.185 5.683 221 HA ILE 377 HA ILE 377 -4.011 -20.057 6.862 222 HB ILE 377 HB ILE 377 -4.251 -20.826 4.754 223 HG12 ILE 377 HG12 ILE 377 -3.656 -23.138 4.341 224 HG13 ILE 377 HG13 ILE 377 -2.425 -23.085 5.585 225 HG21 ILE 377 HG21 ILE 377 -1.346 -20.382 4.636 226 HG23 ILE 377 HG22 ILE 377 -2.593 -20.035 3.438 227 HG22 ILE 377 HG23 ILE 377 -1.903 -21.654 3.545 228 HD13 ILE 377 HD11 ILE 377 -3.954 -23.787 7.102 229 HD12 ILE 377 HD12 ILE 377 -5.201 -23.788 5.855 230 HD11 ILE 377 HD13 ILE 377 -4.911 -22.333 6.810 231 H LEU 378 H LEU 378 -0.845 -21.711 6.632 232 HA LEU 378 HA LEU 378 -1.481 -23.921 8.126 233 HB2 LEU 378 HB2 LEU 378 1.091 -22.402 7.838 234 HB3 LEU 378 HB3 LEU 378 0.988 -23.802 8.903 235 HG LEU 378 HG LEU 378 -0.089 -23.986 6.142 236 HD11 LEU 378 HD11 LEU 378 2.843 -24.116 6.813 237 HD13 LEU 378 HD12 LEU 378 2.037 -23.013 5.697 238 HD12 LEU 378 HD13 LEU 378 2.137 -24.732 5.319 239 HD22 LEU 378 HD21 LEU 378 0.594 -26.356 6.383 240 HD21 LEU 378 HD22 LEU 378 -0.488 -25.842 7.677 241 HD23 LEU 378 HD23 LEU 378 1.243 -25.994 7.983 242 H ARG 379 H ARG 379 -0.289 -20.804 9.362 243 HA ARG 379 HA ARG 379 -0.215 -21.660 12.016 244 HB2 ARG 379 HB2 ARG 379 0.533 -19.407 10.759 245 HB3 ARG 379 HB3 ARG 379 -0.955 -18.847 11.488 246 HG2 ARG 379 HG2 ARG 379 1.375 -20.060 12.926 247 HG3 ARG 379 HG3 ARG 379 0.947 -18.346 12.870 248 HD2 ARG 379 HD2 ARG 379 -1.320 -19.021 13.760 249 HD3 ARG 379 HD3 ARG 379 -0.614 -20.606 14.082 250 HE ARG 379 HE ARG 379 0.217 -18.066 15.323 251 HH21 ARG 379 HH11 ARG 379 1.185 -18.184 17.293 252 HH22 ARG 379 HH12 ARG 379 1.557 -19.726 17.988 253 HH11 ARG 379 HH21 ARG 379 0.309 -21.541 15.278 254 HH12 ARG 379 HH22 ARG 379 1.055 -21.646 16.838 255 H ALA 380 H ALA 380 -2.817 -20.188 10.071 256 HA ALA 380 HA ALA 380 -4.646 -19.867 12.219 257 HB2 ALA 380 HB1 ALA 380 -4.844 -18.799 10.009 258 HB3 ALA 380 HB2 ALA 380 -6.323 -19.581 10.570 259 HB1 ALA 380 HB3 ALA 380 -5.320 -20.361 9.347 260 H SER 381 H SER 381 -3.706 -22.694 10.401 261 HA SER 381 HA SER 381 -6.025 -24.241 10.889 262 HB2 SER 381 HB2 SER 381 -4.966 -25.889 9.748 263 HB3 SER 381 HB3 SER 381 -3.912 -24.573 9.268 264 HG SER 381 HG SER 381 -2.686 -25.252 11.266 265 H ALA 382 H ALA 382 -3.734 -23.090 13.032 266 HA ALA 382 HA ALA 382 -3.758 -25.390 14.791 267 HB2 ALA 382 HB1 ALA 382 -1.868 -23.826 14.868 268 HB1 ALA 382 HB2 ALA 382 -2.698 -23.903 16.423 269 HB3 ALA 382 HB3 ALA 382 -2.961 -22.529 15.349 270 H PHE 383 H PHE 383 -6.086 -23.339 13.784 271 HA PHE 383 HA PHE 383 -7.347 -23.236 16.434 272 HB2 PHE 383 HB2 PHE 383 -7.739 -21.096 14.381 273 HB3 PHE 383 HB3 PHE 383 -8.112 -21.055 16.095 274 HD1 PHE 383 HD1 PHE 383 -6.158 -19.554 13.920 275 HD2 PHE 383 HD2 PHE 383 -5.773 -21.997 17.371 276 HE1 PHE 383 HE1 PHE 383 -3.959 -18.475 14.411 277 HE2 PHE 383 HE2 PHE 383 -3.590 -20.945 17.899 278 HZ PHE 383 HZ PHE 383 -2.661 -19.169 16.411 279 H GLY 384 H GLY 384 -7.832 -24.722 13.607 280 HA3 GLY 384 HA2 GLY 384 -10.404 -25.555 14.143 281 HA2 GLY 384 HA3 GLY 384 -10.574 -24.143 13.090 282 H LYS 385 H LYS 385 -11.291 -26.801 12.241 283 HA LYS 385 HA LYS 385 -9.107 -27.932 10.805 284 HB2 LYS 385 HB2 LYS 385 -12.065 -28.322 10.437 285 HB3 LYS 385 HB3 LYS 385 -10.854 -29.181 9.509 286 HG2 LYS 385 HG2 LYS 385 -9.973 -30.173 11.564 287 HG3 LYS 385 HG3 LYS 385 -11.161 -29.274 12.512 288 HD2 LYS 385 HD2 LYS 385 -12.958 -30.365 11.310 289 HD3 LYS 385 HD3 LYS 385 -11.789 -31.242 10.334 290 HE2 LYS 385 HE2 LYS 385 -10.945 -32.366 12.366 291 HE3 LYS 385 HE3 LYS 385 -12.117 -31.490 13.338 292 HZ2 LYS 385 HZ1 LYS 385 -12.467 -33.863 11.750 293 HZ1 LYS 385 HZ2 LYS 385 -13.638 -32.682 11.400 294 HZ3 LYS 385 HZ3 LYS 385 -13.442 -33.244 12.992 295 H LEU 386 H LEU 386 -8.042 -26.975 9.250 296 HA LEU 386 HA LEU 386 -9.556 -25.549 7.140 297 HB2 LEU 386 HB2 LEU 386 -6.652 -25.091 7.610 298 HB3 LEU 386 HB3 LEU 386 -7.822 -24.047 6.852 299 HG LEU 386 HG LEU 386 -7.542 -24.524 9.823 300 HD13 LEU 386 HD11 LEU 386 -5.667 -23.316 8.789 301 HD12 LEU 386 HD12 LEU 386 -6.662 -22.183 9.704 302 HD11 LEU 386 HD13 LEU 386 -6.794 -22.250 7.946 303 HD22 LEU 386 HD21 LEU 386 -9.645 -23.675 9.891 304 HD21 LEU 386 HD22 LEU 386 -9.655 -23.476 8.138 305 HD23 LEU 386 HD23 LEU 386 -9.013 -22.195 9.167 306 H ARG 387 H ARG 387 -8.949 -25.990 5.046 307 HA ARG 387 HA ARG 387 -6.786 -27.929 4.614 308 HB2 ARG 387 HB2 ARG 387 -9.374 -27.697 3.079 309 HB3 ARG 387 HB3 ARG 387 -7.972 -28.585 2.503 310 HG2 ARG 387 HG2 ARG 387 -8.061 -29.913 4.553 311 HG3 ARG 387 HG3 ARG 387 -9.545 -29.085 4.977 312 HD2 ARG 387 HD2 ARG 387 -9.863 -30.127 2.334 313 HD3 ARG 387 HD3 ARG 387 -9.211 -31.412 3.349 314 HE ARG 387 HE ARG 387 -11.850 -30.385 3.436 315 HH21 ARG 387 HH11 ARG 387 -13.299 -31.037 5.042 316 HH22 ARG 387 HH12 ARG 387 -12.697 -31.701 6.525 317 HH11 ARG 387 HH21 ARG 387 -9.313 -31.398 5.652 318 HH12 ARG 387 HH22 ARG 387 -10.433 -31.907 6.871 319 H ILE 388 H ILE 388 -5.580 -27.504 2.661 320 HA ILE 388 HA ILE 388 -5.667 -24.687 1.721 321 HB ILE 388 HB ILE 388 -3.324 -26.467 1.103 322 HG12 ILE 388 HG12 ILE 388 -3.911 -25.366 3.830 323 HG13 ILE 388 HG13 ILE 388 -3.405 -26.986 3.384 324 HG22 ILE 388 HG21 ILE 388 -3.303 -23.578 1.988 325 HG21 ILE 388 HG22 ILE 388 -3.529 -24.068 0.308 326 HG23 ILE 388 HG23 ILE 388 -2.030 -24.466 1.148 327 HD12 ILE 388 HD11 ILE 388 -1.775 -24.483 3.542 328 HD11 ILE 388 HD12 ILE 388 -1.236 -25.863 2.587 329 HD13 ILE 388 HD13 ILE 388 -1.500 -26.040 4.322 330 H MET 389 H MET 389 -6.007 -24.337 -0.404 331 HA MET 389 HA MET 389 -5.752 -26.635 -2.227 332 HB2 MET 389 HB2 MET 389 -8.036 -26.791 -1.955 333 HB3 MET 389 HB3 MET 389 -8.207 -25.096 -1.547 334 HG2 MET 389 HG2 MET 389 -8.143 -24.451 -3.755 335 HG3 MET 389 HG3 MET 389 -7.496 -26.003 -4.276 336 HE3 MET 389 HE1 MET 389 -9.621 -27.936 -5.647 337 HE2 MET 389 HE2 MET 389 -10.135 -28.659 -4.128 338 HE1 MET 389 HE3 MET 389 -8.463 -28.147 -4.323 339 H PHE 390 H PHE 390 -5.201 -25.982 -4.251 340 HA PHE 390 HA PHE 390 -4.342 -23.181 -4.562 341 HB2 PHE 390 HB2 PHE 390 -3.365 -25.445 -6.236 342 HB3 PHE 390 HB3 PHE 390 -2.585 -23.917 -5.871 343 HD1 PHE 390 HD1 PHE 390 -1.576 -26.846 -5.652 344 HD2 PHE 390 HD2 PHE 390 -3.152 -24.033 -2.862 345 HE1 PHE 390 HE1 PHE 390 -0.311 -27.963 -3.844 346 HE2 PHE 390 HE2 PHE 390 -1.905 -25.131 -1.004 347 HZ PHE 390 HZ PHE 390 -0.455 -27.111 -1.495 No H/Q in entry = 347 In of MODEL 1 1 HA PRO 391 HA PRO 391 -7.067 -22.915 -8.076 2 HB2 PRO 391 HB2 PRO 391 -6.514 -20.331 -8.663 3 HB3 PRO 391 HB3 PRO 391 -7.470 -20.792 -7.239 4 HG2 PRO 391 HG2 PRO 391 -4.593 -19.965 -7.393 5 HG3 PRO 391 HG3 PRO 391 -5.798 -19.599 -6.152 6 HD2 PRO 391 HD2 PRO 391 -3.839 -21.608 -5.963 7 HD3 PRO 391 HD3 PRO 391 -5.334 -21.544 -5.003 8 H MET 392 H MET 392 -6.913 -22.564 -10.408 9 HA MET 392 HA MET 392 -5.960 -22.663 -12.466 10 HB2 MET 392 HB2 MET 392 -4.022 -20.819 -11.140 11 HB3 MET 392 HB3 MET 392 -4.133 -21.084 -12.872 12 HG2 MET 392 HG2 MET 392 -6.229 -19.903 -11.059 13 HG3 MET 392 HG3 MET 392 -5.324 -19.082 -12.318 14 HE1 MET 392 HE1 MET 392 -8.096 -21.524 -11.331 15 HE3 MET 392 HE2 MET 392 -9.296 -21.385 -12.613 16 HE2 MET 392 HE3 MET 392 -8.883 -19.970 -11.650 17 H ILE 393 H ILE 393 -4.861 -24.735 -10.648 18 HA ILE 393 HA ILE 393 -2.164 -25.246 -11.330 19 HB ILE 393 HB ILE 393 -3.774 -26.302 -9.582 20 HG12 ILE 393 HG12 ILE 393 -2.249 -28.439 -9.796 21 HG13 ILE 393 HG13 ILE 393 -1.443 -27.476 -11.014 22 HG23 ILE 393 HG21 ILE 393 -4.851 -28.310 -10.151 23 HG22 ILE 393 HG22 ILE 393 -4.077 -28.375 -11.735 24 HG21 ILE 393 HG23 ILE 393 -5.299 -27.148 -11.401 25 HD11 ILE 393 HD11 ILE 393 -1.281 -25.679 -9.251 26 HD13 ILE 393 HD12 ILE 393 -0.275 -27.112 -9.042 27 HD12 ILE 393 HD13 ILE 393 -1.757 -26.926 -8.101 28 H ILE 394 H ILE 394 -1.248 -26.175 -13.024 29 HA ILE 394 HA ILE 394 -2.992 -27.089 -15.202 30 HB ILE 394 HB ILE 394 -1.525 -25.934 -16.730 31 HG12 ILE 394 HG12 ILE 394 -0.264 -24.873 -14.243 32 HG13 ILE 394 HG13 ILE 394 0.431 -26.070 -15.337 33 HG21 ILE 394 HG21 ILE 394 -3.419 -24.732 -15.055 34 HG23 ILE 394 HG22 ILE 394 -2.893 -24.235 -16.664 35 HG22 ILE 394 HG23 ILE 394 -2.078 -23.601 -15.235 36 HD12 ILE 394 HD11 ILE 394 -0.348 -23.267 -15.968 37 HD11 ILE 394 HD12 ILE 394 0.158 -24.464 -17.162 38 HD13 ILE 394 HD13 ILE 394 1.277 -23.941 -15.904 39 H SER 395 H SER 395 -0.211 -27.780 -13.369 40 HA SER 395 HA SER 395 0.409 -30.079 -15.088 41 HB2 SER 395 HB2 SER 395 1.822 -28.263 -15.882 42 HB3 SER 395 HB3 SER 395 2.345 -27.915 -14.244 43 HG SER 395 HG SER 395 3.044 -30.025 -15.962 44 H VAL 396 H VAL 396 1.836 -31.651 -14.006 45 HA VAL 396 HA VAL 396 1.432 -31.842 -11.171 46 HB VAL 396 HB VAL 396 2.489 -33.871 -11.274 47 HG12 VAL 396 HG11 VAL 396 1.719 -33.436 -14.155 48 HG11 VAL 396 HG12 VAL 396 0.631 -33.919 -12.853 49 HG13 VAL 396 HG13 VAL 396 1.931 -34.997 -13.362 50 HG21 VAL 396 HG21 VAL 396 4.169 -32.746 -13.526 51 HG23 VAL 396 HG22 VAL 396 4.250 -34.423 -12.989 52 HG22 VAL 396 HG23 VAL 396 4.691 -33.121 -11.883 53 H GLU 397 H GLU 397 3.958 -30.653 -13.364 54 HA GLU 397 HA GLU 397 6.036 -30.220 -11.583 55 HB2 GLU 397 HB2 GLU 397 5.081 -28.405 -13.770 56 HB3 GLU 397 HB3 GLU 397 6.562 -28.150 -12.867 57 HG2 GLU 397 HG2 GLU 397 7.418 -30.301 -13.646 58 HG3 GLU 397 HG3 GLU 397 5.920 -30.602 -14.507 59 H GLU 398 H GLU 398 3.361 -27.917 -12.163 60 HA GLU 398 HA GLU 398 4.092 -26.027 -10.273 61 HB2 GLU 398 HB2 GLU 398 1.458 -26.748 -11.460 62 HB3 GLU 398 HB3 GLU 398 1.520 -25.602 -10.132 63 HG2 GLU 398 HG2 GLU 398 1.527 -24.518 -12.274 64 HG3 GLU 398 HG3 GLU 398 3.000 -24.205 -11.372 65 H VAL 399 H VAL 399 1.865 -28.772 -9.704 66 HA VAL 399 HA VAL 399 1.333 -28.216 -7.019 67 HB VAL 399 HB VAL 399 1.553 -30.946 -8.257 68 HG13 VAL 399 HG11 VAL 399 1.534 -31.171 -5.945 69 HG12 VAL 399 HG12 VAL 399 -0.142 -31.396 -6.450 70 HG11 VAL 399 HG13 VAL 399 0.373 -29.861 -5.744 71 HG23 VAL 399 HG21 VAL 399 -0.833 -29.085 -7.967 72 HG22 VAL 399 HG22 VAL 399 -0.869 -30.715 -8.641 73 HG21 VAL 399 HG23 VAL 399 0.007 -29.435 -9.478 74 H ARG 400 H ARG 400 3.994 -30.270 -8.271 75 HA ARG 400 HA ARG 400 4.920 -30.961 -5.706 76 HB2 ARG 400 HB2 ARG 400 5.605 -32.152 -7.750 77 HB3 ARG 400 HB3 ARG 400 6.535 -30.744 -8.240 78 HG2 ARG 400 HG2 ARG 400 7.874 -30.951 -6.238 79 HG3 ARG 400 HG3 ARG 400 6.943 -32.372 -5.771 80 HD2 ARG 400 HD2 ARG 400 8.926 -33.082 -6.829 81 HD3 ARG 400 HD3 ARG 400 7.567 -33.400 -7.906 82 HE ARG 400 HE ARG 400 8.595 -30.863 -8.505 83 HH21 ARG 400 HH11 ARG 400 9.927 -30.503 -10.256 84 HH22 ARG 400 HH12 ARG 400 10.797 -31.815 -10.977 85 HH11 ARG 400 HH21 ARG 400 9.618 -34.237 -8.732 86 HH12 ARG 400 HH22 ARG 400 10.624 -33.946 -10.112 87 H ALA 401 H ALA 401 5.559 -28.127 -7.756 88 HA ALA 401 HA ALA 401 7.806 -27.365 -6.213 89 HB1 ALA 401 HB1 ALA 401 6.099 -25.661 -8.006 90 HB3 ALA 401 HB2 ALA 401 7.532 -26.570 -8.488 91 HB2 ALA 401 HB3 ALA 401 7.680 -25.224 -7.356 92 H LEU 402 H LEU 402 4.407 -26.875 -5.926 93 HA LEU 402 HA LEU 402 4.602 -24.755 -3.994 94 HB2 LEU 402 HB2 LEU 402 2.401 -26.245 -5.303 95 HB3 LEU 402 HB3 LEU 402 2.054 -25.435 -3.817 96 HG LEU 402 HG LEU 402 1.362 -24.417 -6.039 97 HD12 LEU 402 HD11 LEU 402 1.668 -22.165 -5.162 98 HD11 LEU 402 HD12 LEU 402 2.809 -22.807 -3.979 99 HD13 LEU 402 HD13 LEU 402 1.122 -23.321 -3.948 100 HD23 LEU 402 HD21 LEU 402 3.197 -22.625 -6.734 101 HD22 LEU 402 HD22 LEU 402 3.165 -24.218 -7.488 102 HD21 LEU 402 HD23 LEU 402 4.314 -23.883 -6.193 103 H ARG 403 H ARG 403 3.968 -28.225 -3.898 104 HA ARG 403 HA ARG 403 3.321 -28.527 -1.133 105 HB2 ARG 403 HB2 ARG 403 4.674 -30.306 -3.136 106 HB3 ARG 403 HB3 ARG 403 4.307 -30.812 -1.496 107 HG2 ARG 403 HG2 ARG 403 2.146 -29.719 -3.262 108 HG3 ARG 403 HG3 ARG 403 2.652 -31.405 -3.395 109 HD2 ARG 403 HD2 ARG 403 2.449 -30.891 -0.673 110 HD3 ARG 403 HD3 ARG 403 1.036 -30.135 -1.403 111 HE ARG 403 HE ARG 403 1.021 -32.528 -2.591 112 HH21 ARG 403 HH11 ARG 403 0.059 -34.420 -1.833 113 HH22 ARG 403 HH12 ARG 403 -0.069 -34.695 -0.128 114 HH11 ARG 403 HH21 ARG 403 1.474 -31.654 0.752 115 HH12 ARG 403 HH22 ARG 403 0.745 -33.103 1.362 116 H LYS 404 H LYS 404 6.283 -28.532 -2.982 117 HA LYS 404 HA LYS 404 8.126 -29.098 -0.929 118 HB2 LYS 404 HB2 LYS 404 8.119 -28.083 -3.653 119 HB3 LYS 404 HB3 LYS 404 9.347 -27.326 -2.664 120 HG2 LYS 404 HG2 LYS 404 9.771 -29.926 -2.054 121 HG3 LYS 404 HG3 LYS 404 9.199 -30.056 -3.729 122 HD2 LYS 404 HD2 LYS 404 11.645 -29.634 -3.650 123 HD3 LYS 404 HD3 LYS 404 10.775 -28.310 -4.427 124 HE2 LYS 404 HE2 LYS 404 10.706 -27.322 -1.949 125 HE3 LYS 404 HE3 LYS 404 12.073 -28.382 -1.696 126 HZ3 LYS 404 HZ1 LYS 404 13.082 -26.415 -2.259 127 HZ2 LYS 404 HZ2 LYS 404 11.870 -25.958 -3.357 128 HZ1 LYS 404 HZ3 LYS 404 12.999 -27.153 -3.784 129 H GLU 405 H GLU 405 6.782 -26.118 -2.251 130 HA GLU 405 HA GLU 405 8.053 -24.337 -0.505 131 HB2 GLU 405 HB2 GLU 405 6.311 -24.157 -2.618 132 HB3 GLU 405 HB3 GLU 405 5.372 -23.559 -1.262 133 HG2 GLU 405 HG2 GLU 405 6.626 -21.786 -2.483 134 HG3 GLU 405 HG3 GLU 405 7.004 -21.875 -0.774 135 H ILE 406 H ILE 406 4.784 -25.861 -0.162 136 HA ILE 406 HA ILE 406 4.192 -24.832 2.343 137 HB ILE 406 HB ILE 406 3.581 -27.514 1.131 138 HG12 ILE 406 HG12 ILE 406 1.709 -25.282 1.877 139 HG13 ILE 406 HG13 ILE 406 2.560 -25.304 0.342 140 HG22 ILE 406 HG21 ILE 406 1.889 -27.769 2.964 141 HG21 ILE 406 HG22 ILE 406 2.718 -26.470 3.822 142 HG23 ILE 406 HG23 ILE 406 3.565 -27.976 3.471 143 HD13 ILE 406 HD11 ILE 406 1.123 -26.751 -0.509 144 HD12 ILE 406 HD12 ILE 406 0.136 -26.494 0.931 145 HD11 ILE 406 HD13 ILE 406 1.288 -27.829 0.876 146 H GLU 407 H GLU 407 6.019 -27.868 1.709 147 HA GLU 407 HA GLU 407 6.554 -28.498 4.308 148 HB2 GLU 407 HB2 GLU 407 8.053 -29.042 1.782 149 HB3 GLU 407 HB3 GLU 407 8.585 -29.675 3.332 150 HG2 GLU 407 HG2 GLU 407 6.069 -30.275 1.813 151 HG3 GLU 407 HG3 GLU 407 7.277 -31.392 2.429 152 H ILE 408 H ILE 408 8.288 -26.143 2.349 153 HA ILE 408 HA ILE 408 10.407 -25.770 4.231 154 HB ILE 408 HB ILE 408 9.364 -23.984 2.047 155 HG12 ILE 408 HG12 ILE 408 11.825 -25.740 2.219 156 HG13 ILE 408 HG13 ILE 408 10.395 -26.070 1.265 157 HG22 ILE 408 HG21 ILE 408 11.623 -22.830 2.397 158 HG21 ILE 408 HG22 ILE 408 11.631 -23.613 3.978 159 HG23 ILE 408 HG23 ILE 408 10.337 -22.491 3.555 160 HD11 ILE 408 HD11 ILE 408 10.992 -23.757 0.088 161 HD13 ILE 408 HD12 ILE 408 11.868 -25.218 -0.367 162 HD12 ILE 408 HD13 ILE 408 12.601 -24.064 0.746 163 H TYR 409 H TYR 409 7.429 -23.969 3.541 164 HA TYR 409 HA TYR 409 7.684 -22.111 5.624 165 HB2 TYR 409 HB2 TYR 409 5.169 -23.170 4.350 166 HB3 TYR 409 HB3 TYR 409 5.331 -21.676 5.263 167 HD1 TYR 409 HD1 TYR 409 4.540 -22.307 2.170 168 HD2 TYR 409 HD2 TYR 409 7.980 -20.802 4.209 169 HE1 TYR 409 HE1 TYR 409 5.257 -21.095 0.109 170 HE2 TYR 409 HE2 TYR 409 8.696 -19.637 2.226 171 HH TYR 409 HH TYR 409 8.162 -18.914 0.310 172 H LYS 410 H LYS 410 6.540 -25.452 5.605 173 HA LYS 410 HA LYS 410 5.166 -25.315 8.091 174 HB2 LYS 410 HB2 LYS 410 6.345 -27.538 6.464 175 HB3 LYS 410 HB3 LYS 410 5.898 -27.855 8.124 176 HG2 LYS 410 HG2 LYS 410 3.572 -27.150 7.583 177 HG3 LYS 410 HG3 LYS 410 4.061 -26.949 5.900 178 HD2 LYS 410 HD2 LYS 410 4.725 -29.265 5.806 179 HD3 LYS 410 HD3 LYS 410 4.289 -29.473 7.495 180 HE2 LYS 410 HE2 LYS 410 1.959 -28.568 6.629 181 HE3 LYS 410 HE3 LYS 410 2.556 -29.228 5.103 182 HZ3 LYS 410 HZ1 LYS 410 1.741 -31.119 5.941 183 HZ2 LYS 410 HZ2 LYS 410 1.828 -30.587 7.553 184 HZ1 LYS 410 HZ3 LYS 410 3.219 -31.170 6.770 185 H GLN 411 H GLN 411 8.501 -26.143 7.179 186 HA GLN 411 HA GLN 411 9.376 -26.875 9.755 187 HB2 GLN 411 HB2 GLN 411 10.572 -26.397 7.187 188 HB3 GLN 411 HB3 GLN 411 11.535 -25.652 8.440 189 HG2 GLN 411 HG2 GLN 411 10.984 -28.524 7.908 190 HG3 GLN 411 HG3 GLN 411 12.502 -27.719 8.258 191 HE21 GLN 411 HE21 GLN 411 10.732 -30.037 9.391 192 HE22 GLN 411 HE22 GLN 411 10.845 -29.799 11.069 193 H GLU 412 H GLU 412 9.593 -23.804 7.994 194 HA GLU 412 HA GLU 412 10.992 -22.360 9.885 195 HB2 GLU 412 HB2 GLU 412 8.788 -21.454 8.048 196 HB3 GLU 412 HB3 GLU 412 9.889 -20.387 8.911 197 HG2 GLU 412 HG2 GLU 412 11.792 -21.428 7.749 198 HG3 GLU 412 HG3 GLU 412 10.686 -22.478 6.883 199 H LEU 413 H LEU 413 7.433 -22.751 9.622 200 HA LEU 413 HA LEU 413 6.806 -21.400 11.978 201 HB2 LEU 413 HB2 LEU 413 5.402 -23.757 10.769 202 HB3 LEU 413 HB3 LEU 413 4.772 -22.793 12.088 203 HG LEU 413 HG LEU 413 5.403 -21.825 9.309 204 HD12 LEU 413 HD11 LEU 413 2.881 -21.565 9.236 205 HD11 LEU 413 HD12 LEU 413 2.842 -22.576 10.681 206 HD13 LEU 413 HD13 LEU 413 3.520 -23.209 9.180 207 HD21 LEU 413 HD21 LEU 413 4.423 -20.331 11.747 208 HD23 LEU 413 HD22 LEU 413 3.965 -19.795 10.130 209 HD22 LEU 413 HD23 LEU 413 5.668 -19.865 10.585 210 H ARG 414 H ARG 414 7.400 -24.922 11.680 211 HA ARG 414 HA ARG 414 7.393 -25.697 14.342 212 HB2 ARG 414 HB2 ARG 414 8.944 -26.599 11.975 213 HB3 ARG 414 HB3 ARG 414 9.382 -27.211 13.562 214 HG2 ARG 414 HG2 ARG 414 7.035 -27.966 13.888 215 HG3 ARG 414 HG3 ARG 414 6.641 -27.397 12.281 216 HD2 ARG 414 HD2 ARG 414 8.647 -29.586 12.875 217 HD3 ARG 414 HD3 ARG 414 6.968 -29.862 12.412 218 HE ARG 414 HE ARG 414 8.994 -28.542 10.726 219 HH21 ARG 414 HH11 ARG 414 8.785 -28.705 8.549 220 HH22 ARG 414 HH12 ARG 414 7.454 -29.568 7.853 221 HH11 ARG 414 HH21 ARG 414 6.002 -30.421 10.950 222 HH12 ARG 414 HH22 ARG 414 5.854 -30.555 9.229 223 H ASP 415 H ASP 415 9.984 -24.019 12.642 224 HA ASP 415 HA ASP 415 11.839 -24.191 14.805 225 HB2 ASP 415 HB2 ASP 415 11.773 -22.582 12.263 226 HB3 ASP 415 HB3 ASP 415 13.106 -22.521 13.406 227 H GLU 416 H GLU 416 9.337 -21.957 13.999 228 HA GLU 416 HA GLU 416 10.508 -19.889 15.709 229 HB2 GLU 416 HB2 GLU 416 7.925 -19.716 14.232 230 HB3 GLU 416 HB3 GLU 416 8.927 -18.418 14.829 231 HG2 GLU 416 HG2 GLU 416 10.600 -19.013 13.118 232 HG3 GLU 416 HG3 GLU 416 9.459 -20.200 12.487 233 H GLY 417 H GLY 417 8.818 -22.583 16.280 234 HA3 GLY 417 HA2 GLY 417 7.580 -23.356 18.049 235 HA2 GLY 417 HA3 GLY 417 7.897 -21.815 18.838 236 H LYS 418 H LYS 418 6.240 -22.608 15.874 237 HA LYS 418 HA LYS 418 3.752 -21.336 16.788 238 HB2 LYS 418 HB2 LYS 418 5.302 -21.103 14.247 239 HB3 LYS 418 HB3 LYS 418 3.572 -20.825 14.256 240 HG2 LYS 418 HG2 LYS 418 3.945 -19.145 16.024 241 HG3 LYS 418 HG3 LYS 418 5.673 -19.360 15.778 242 HD2 LYS 418 HD2 LYS 418 5.379 -18.727 13.388 243 HD3 LYS 418 HD3 LYS 418 3.670 -18.418 13.712 244 HE2 LYS 418 HE2 LYS 418 4.097 -16.520 14.937 245 HE3 LYS 418 HE3 LYS 418 5.619 -17.134 15.556 246 HZ2 LYS 418 HZ1 LYS 418 5.064 -15.901 12.957 247 HZ1 LYS 418 HZ2 LYS 418 6.489 -16.770 13.274 248 HZ3 LYS 418 HZ3 LYS 418 6.120 -15.377 14.175 249 H ALA 419 H ALA 419 2.279 -22.859 17.035 250 HA ALA 419 HA ALA 419 2.246 -25.438 15.948 251 HB1 ALA 419 HB1 ALA 419 0.108 -25.694 16.980 252 HB3 ALA 419 HB2 ALA 419 -0.245 -23.970 16.867 253 HB2 ALA 419 HB3 ALA 419 0.962 -24.549 18.015 254 H PHE 420 H PHE 420 1.126 -26.354 14.359 255 HA PHE 420 HA PHE 420 -0.879 -25.021 12.891 256 HB2 PHE 420 HB2 PHE 420 0.080 -25.399 10.662 257 HB3 PHE 420 HB3 PHE 420 1.031 -24.240 11.570 258 HD1 PHE 420 HD1 PHE 420 0.924 -27.729 10.308 259 HD2 PHE 420 HD2 PHE 420 3.306 -24.681 12.087 260 HE1 PHE 420 HE1 PHE 420 2.957 -29.070 9.845 261 HE2 PHE 420 HE2 PHE 420 5.314 -26.014 11.636 262 HZ PHE 420 HZ PHE 420 5.151 -28.209 10.547 263 H ASP 421 H ASP 421 -2.089 -26.616 11.761 264 HA ASP 421 HA ASP 421 -2.252 -29.101 13.128 265 HB2 ASP 421 HB2 ASP 421 -4.203 -27.908 12.122 266 HB3 ASP 421 HB3 ASP 421 -3.514 -28.143 10.525 267 H GLU 422 H GLU 422 -0.666 -30.625 12.798 268 HA GLU 422 HA GLU 422 0.959 -30.657 10.440 269 HB2 GLU 422 HB2 GLU 422 0.650 -32.726 12.604 270 HB3 GLU 422 HB3 GLU 422 1.774 -32.870 11.273 271 HG2 GLU 422 HG2 GLU 422 1.893 -30.482 13.121 272 HG3 GLU 422 HG3 GLU 422 2.605 -32.002 13.607 273 H SER 423 H SER 423 -2.141 -31.869 11.058 274 HA SER 423 HA SER 423 -2.148 -34.128 9.244 275 HB2 SER 423 HB2 SER 423 -4.000 -32.721 11.062 276 HB3 SER 423 HB3 SER 423 -4.748 -33.430 9.636 277 HG SER 423 HG SER 423 -2.900 -34.877 11.177 278 H ILE 424 H ILE 424 -2.012 -30.892 8.624 279 HA ILE 424 HA ILE 424 -4.429 -30.359 7.481 280 HB ILE 424 HB ILE 424 -2.997 -28.566 8.165 281 HG12 ILE 424 HG12 ILE 424 -3.342 -28.209 5.215 282 HG13 ILE 424 HG13 ILE 424 -4.734 -28.421 6.263 283 HG23 ILE 424 HG21 ILE 424 -0.939 -28.011 7.219 284 HG22 ILE 424 HG22 ILE 424 -1.236 -28.967 5.767 285 HG21 ILE 424 HG23 ILE 424 -0.896 -29.772 7.299 286 HD13 ILE 424 HD11 ILE 424 -4.411 -26.156 6.003 287 HD12 ILE 424 HD12 ILE 424 -2.678 -26.297 6.309 288 HD11 ILE 424 HD13 ILE 424 -3.834 -26.566 7.615 289 H GLU 425 H GLU 425 -5.404 -30.676 5.633 290 HA GLU 425 HA GLU 425 -3.898 -32.257 3.725 291 HB2 GLU 425 HB2 GLU 425 -6.818 -31.652 3.609 292 HB3 GLU 425 HB3 GLU 425 -5.941 -32.933 2.795 293 HG2 GLU 425 HG2 GLU 425 -5.585 -34.086 4.844 294 HG3 GLU 425 HG3 GLU 425 -6.209 -32.723 5.779 295 H ILE 426 H ILE 426 -3.738 -31.913 1.666 296 HA ILE 426 HA ILE 426 -4.054 -29.142 0.746 297 HB ILE 426 HB ILE 426 -1.893 -31.149 0.152 298 HG12 ILE 426 HG12 ILE 426 -2.143 -28.951 2.185 299 HG13 ILE 426 HG13 ILE 426 -1.924 -30.660 2.483 300 HG23 ILE 426 HG21 ILE 426 -1.895 -29.585 -1.600 301 HG22 ILE 426 HG22 ILE 426 -0.693 -28.957 -0.473 302 HG21 ILE 426 HG23 ILE 426 -2.307 -28.249 -0.526 303 HD13 ILE 426 HD11 ILE 426 0.227 -30.365 2.559 304 HD12 ILE 426 HD12 ILE 426 -0.014 -28.639 2.285 305 HD11 ILE 426 HD13 ILE 426 0.222 -29.729 0.917 306 H GLY 427 H GLY 427 -5.015 -28.896 -1.220 307 HA3 GLY 427 HA2 GLY 427 -5.184 -31.202 -3.037 308 HA2 GLY 427 HA3 GLY 427 -6.689 -30.446 -2.529 309 H VAL 428 H VAL 428 -6.764 -30.210 -5.007 310 HA VAL 428 HA VAL 428 -5.614 -27.577 -5.623 311 HB VAL 428 HB VAL 428 -5.013 -28.390 -7.909 312 HG13 VAL 428 HG11 VAL 428 -3.190 -28.062 -6.541 313 HG12 VAL 428 HG12 VAL 428 -2.972 -29.716 -7.117 314 HG11 VAL 428 HG13 VAL 428 -3.600 -29.420 -5.494 315 HG23 VAL 428 HG21 VAL 428 -4.668 -30.831 -8.218 316 HG22 VAL 428 HG22 VAL 428 -6.365 -30.382 -8.034 317 HG21 VAL 428 HG23 VAL 428 -5.491 -31.108 -6.685 318 H MET 429 H MET 429 -6.725 -26.433 -7.168 319 HA MET 429 HA MET 429 -9.522 -27.053 -7.577 320 HB2 MET 429 HB2 MET 429 -7.544 -25.013 -8.617 321 HB3 MET 429 HB3 MET 429 -9.167 -25.127 -9.269 322 HG2 MET 429 HG2 MET 429 -9.873 -24.876 -6.744 323 HG3 MET 429 HG3 MET 429 -8.261 -24.183 -6.577 324 HE2 MET 429 HE1 MET 429 -12.091 -22.508 -8.688 325 HE1 MET 429 HE2 MET 429 -11.918 -23.704 -7.406 326 HE3 MET 429 HE3 MET 429 -11.470 -24.127 -9.056 327 H VAL 430 H VAL 430 -10.192 -28.288 -9.362 328 HA VAL 430 HA VAL 430 -8.187 -28.654 -11.513 329 HB VAL 430 HB VAL 430 -10.653 -30.302 -10.908 330 HG12 VAL 430 HG11 VAL 430 -9.724 -31.792 -12.748 331 HG11 VAL 430 HG12 VAL 430 -8.727 -30.412 -13.213 332 HG13 VAL 430 HG13 VAL 430 -10.486 -30.282 -13.251 333 HG21 VAL 430 HG21 VAL 430 -7.734 -30.987 -10.724 334 HG23 VAL 430 HG22 VAL 430 -9.058 -32.137 -10.547 335 HG22 VAL 430 HG23 VAL 430 -8.873 -30.822 -9.389 336 H GLU 431 H GLU 431 -8.617 -26.676 -12.589 337 HA GLU 431 HA GLU 431 -11.382 -26.341 -13.522 338 HB2 GLU 431 HB2 GLU 431 -10.771 -25.025 -11.421 339 HB3 GLU 431 HB3 GLU 431 -9.773 -24.053 -12.479 340 HG2 GLU 431 HG2 GLU 431 -11.717 -23.424 -13.770 341 HG3 GLU 431 HG3 GLU 431 -12.732 -24.468 -12.775 342 H THR 432 H THR 432 -8.528 -26.918 -14.339 343 HA THR 432 HA THR 432 -8.427 -25.339 -16.824 344 HB THR 432 HB THR 432 -6.321 -26.813 -15.243 345 HG1 THR 432 HG1 THR 432 -5.817 -24.310 -15.012 346 HG21 THR 432 HG21 THR 432 -5.941 -26.478 -17.618 347 HG23 THR 432 HG22 THR 432 -4.731 -25.806 -16.525 348 HG22 THR 432 HG23 THR 432 -5.914 -24.748 -17.295 No H/Q in entry = 348 In of MODEL 1 1 HA PRO 433 HA PRO 433 -9.327 -29.363 -18.690 2 HB2 PRO 433 HB2 PRO 433 -7.829 -28.376 -21.056 3 HB3 PRO 433 HB3 PRO 433 -9.521 -28.887 -20.938 4 HG2 PRO 433 HG2 PRO 433 -8.836 -26.351 -21.275 5 HG3 PRO 433 HG3 PRO 433 -10.230 -26.826 -20.277 6 HD2 PRO 433 HD2 PRO 433 -7.481 -25.996 -19.390 7 HD3 PRO 433 HD3 PRO 433 -9.073 -25.582 -18.711 8 H ALA 434 H ALA 434 -6.121 -27.864 -18.687 9 HA ALA 434 HA ALA 434 -4.555 -30.152 -19.229 10 HB3 ALA 434 HB1 ALA 434 -3.724 -27.821 -19.009 11 HB2 ALA 434 HB2 ALA 434 -2.805 -29.031 -18.111 12 HB1 ALA 434 HB3 ALA 434 -3.942 -27.978 -17.267 13 H ALA 435 H ALA 435 -5.494 -28.741 -16.102 14 HA ALA 435 HA ALA 435 -4.567 -30.834 -14.524 15 HB1 ALA 435 HB1 ALA 435 -5.338 -28.739 -13.519 16 HB3 ALA 435 HB2 ALA 435 -6.169 -30.112 -12.786 17 HB2 ALA 435 HB3 ALA 435 -7.000 -29.113 -13.979 18 H ALA 436 H ALA 436 -7.715 -30.456 -16.093 19 HA ALA 436 HA ALA 436 -8.880 -32.718 -14.926 20 HB3 ALA 436 HB1 ALA 436 -10.395 -31.329 -16.001 21 HB2 ALA 436 HB2 ALA 436 -10.311 -32.736 -17.061 22 HB1 ALA 436 HB3 ALA 436 -9.436 -31.263 -17.477 23 H THR 437 H THR 437 -6.963 -32.337 -17.858 24 HA THR 437 HA THR 437 -7.199 -34.943 -18.847 25 HB THR 437 HB THR 437 -5.026 -34.325 -20.015 26 HG1 THR 437 HG1 THR 437 -5.564 -31.716 -19.397 27 HG21 THR 437 HG21 THR 437 -7.530 -32.612 -20.227 28 HG23 THR 437 HG22 THR 437 -7.205 -34.101 -21.114 29 HG22 THR 437 HG23 THR 437 -6.249 -32.656 -21.438 30 H ILE 438 H ILE 438 -4.921 -33.640 -16.548 31 HA ILE 438 HA ILE 438 -3.523 -36.215 -16.462 32 HB ILE 438 HB ILE 438 -2.462 -33.671 -16.766 33 HG12 ILE 438 HG12 ILE 438 -0.276 -34.803 -16.340 34 HG13 ILE 438 HG13 ILE 438 -1.149 -36.190 -15.717 35 HG22 ILE 438 HG21 ILE 438 -1.752 -34.496 -13.950 36 HG21 ILE 438 HG22 ILE 438 -3.039 -33.339 -14.292 37 HG23 ILE 438 HG23 ILE 438 -1.381 -32.983 -14.779 38 HD13 ILE 438 HD11 ILE 438 -2.048 -36.691 -17.857 39 HD12 ILE 438 HD12 ILE 438 -0.334 -36.357 -18.103 40 HD11 ILE 438 HD13 ILE 438 -1.539 -35.135 -18.511 41 H ALA 439 H ALA 439 -6.089 -35.239 -15.231 42 HA ALA 439 HA ALA 439 -5.925 -34.882 -12.522 43 HB3 ALA 439 HB1 ALA 439 -8.074 -35.892 -12.333 44 HB2 ALA 439 HB2 ALA 439 -7.864 -36.737 -13.867 45 HB1 ALA 439 HB3 ALA 439 -8.012 -34.979 -13.840 46 H ARG 440 H ARG 440 -5.385 -38.010 -14.255 47 HA ARG 440 HA ARG 440 -5.454 -39.521 -11.862 48 HB2 ARG 440 HB2 ARG 440 -3.878 -40.157 -14.350 49 HB3 ARG 440 HB3 ARG 440 -4.058 -41.236 -12.981 50 HG2 ARG 440 HG2 ARG 440 -6.561 -40.211 -14.184 51 HG3 ARG 440 HG3 ARG 440 -5.618 -41.294 -15.183 52 HD2 ARG 440 HD2 ARG 440 -5.691 -42.877 -13.031 53 HD3 ARG 440 HD3 ARG 440 -7.072 -41.887 -12.586 54 HE ARG 440 HE ARG 440 -8.268 -43.199 -14.037 55 HH21 ARG 440 HH11 ARG 440 -8.734 -44.488 -15.908 56 HH22 ARG 440 HH12 ARG 440 -7.485 -44.771 -17.074 57 HH11 ARG 440 HH21 ARG 440 -5.024 -42.952 -15.413 58 HH12 ARG 440 HH22 ARG 440 -5.417 -43.915 -16.798 59 H HIS 441 H HIS 441 -2.701 -38.245 -13.689 60 HA HIS 441 HA HIS 441 -0.695 -38.810 -11.864 61 HB2 HIS 441 HB2 HIS 441 -1.011 -36.555 -13.776 62 HB3 HIS 441 HB3 HIS 441 0.389 -36.685 -12.727 63 HD1 HIS 441 HD1 HIS 441 1.186 -39.505 -12.844 64 HD2 HIS 441 HD2 HIS 441 -0.297 -37.531 -16.188 65 HE1 HIS 441 HE1 HIS 441 2.029 -40.820 -14.829 66 HE2 HIS 441 HE2 HIS 441 1.133 -39.589 -16.846 67 H LEU 442 H LEU 442 -2.853 -35.986 -11.827 68 HA LEU 442 HA LEU 442 -1.381 -34.709 -9.747 69 HB2 LEU 442 HB2 LEU 442 -4.188 -34.258 -10.657 70 HB3 LEU 442 HB3 LEU 442 -3.386 -33.290 -9.463 71 HG LEU 442 HG LEU 442 -2.746 -33.458 -12.400 72 HD12 LEU 442 HD11 LEU 442 -3.474 -31.003 -12.337 73 HD11 LEU 442 HD12 LEU 442 -4.157 -31.347 -10.748 74 HD13 LEU 442 HD13 LEU 442 -4.755 -32.207 -12.167 75 HD22 LEU 442 HD21 LEU 442 -0.861 -32.342 -12.127 76 HD21 LEU 442 HD22 LEU 442 -0.973 -32.773 -10.420 77 HD23 LEU 442 HD23 LEU 442 -1.594 -31.220 -10.982 78 H ALA 443 H ALA 443 -4.122 -36.870 -9.781 79 HA ALA 443 HA ALA 443 -5.005 -36.574 -7.158 80 HB1 ALA 443 HB1 ALA 443 -5.119 -39.120 -8.740 81 HB2 ALA 443 HB2 ALA 443 -6.226 -37.759 -8.931 82 HB3 ALA 443 HB3 ALA 443 -6.164 -38.639 -7.403 83 H LYS 444 H LYS 444 -2.206 -38.385 -8.222 84 HA LYS 444 HA LYS 444 -1.755 -39.851 -5.770 85 HB2 LYS 444 HB2 LYS 444 0.307 -38.937 -7.788 86 HB3 LYS 444 HB3 LYS 444 0.548 -40.123 -6.526 87 HG2 LYS 444 HG2 LYS 444 -0.758 -41.724 -7.645 88 HG3 LYS 444 HG3 LYS 444 -1.452 -40.517 -8.729 89 HD2 LYS 444 HD2 LYS 444 0.990 -40.091 -9.484 90 HD3 LYS 444 HD3 LYS 444 1.353 -41.626 -8.708 91 HE2 LYS 444 HE2 LYS 444 -0.248 -42.770 -10.169 92 HE3 LYS 444 HE3 LYS 444 -0.692 -41.234 -10.912 93 HZ1 LYS 444 HZ1 LYS 444 2.134 -41.653 -10.945 94 HZ3 LYS 444 HZ2 LYS 444 1.081 -41.311 -12.234 95 HZ2 LYS 444 HZ3 LYS 444 1.316 -42.916 -11.728 96 H GLU 445 H GLU 445 -1.289 -36.633 -6.871 97 HA GLU 445 HA GLU 445 0.827 -36.232 -4.922 98 HB2 GLU 445 HB2 GLU 445 -0.093 -34.408 -7.145 99 HB3 GLU 445 HB3 GLU 445 1.362 -34.220 -6.179 100 HG2 GLU 445 HG2 GLU 445 1.127 -36.844 -7.505 101 HG3 GLU 445 HG3 GLU 445 1.230 -35.489 -8.618 102 H VAL 446 H VAL 446 -2.488 -35.657 -5.012 103 HA VAL 446 HA VAL 446 -2.206 -33.618 -2.900 104 HB VAL 446 HB VAL 446 -4.228 -32.556 -3.717 105 HG12 VAL 446 HG11 VAL 446 -3.254 -31.775 -5.969 106 HG11 VAL 446 HG12 VAL 446 -1.907 -32.852 -5.600 107 HG13 VAL 446 HG13 VAL 446 -2.290 -31.514 -4.516 108 HG21 VAL 446 HG21 VAL 446 -4.013 -34.618 -5.901 109 HG23 VAL 446 HG22 VAL 446 -5.086 -33.218 -5.953 110 HG22 VAL 446 HG23 VAL 446 -5.305 -34.454 -4.713 111 H ASP 447 H ASP 447 -4.253 -33.459 -1.589 112 HA ASP 447 HA ASP 447 -5.192 -36.150 -0.949 113 HB2 ASP 447 HB2 ASP 447 -5.804 -33.562 0.460 114 HB3 ASP 447 HB3 ASP 447 -6.208 -35.177 1.023 115 H PHE 448 H PHE 448 -6.318 -33.444 -2.684 116 HA PHE 448 HA PHE 448 -8.760 -34.807 -3.244 117 HB2 PHE 448 HB2 PHE 448 -10.332 -33.388 -2.141 118 HB3 PHE 448 HB3 PHE 448 -9.220 -34.034 -0.951 119 HD1 PHE 448 HD1 PHE 448 -10.234 -31.032 -2.844 120 HD2 PHE 448 HD2 PHE 448 -7.759 -32.617 0.263 121 HE1 PHE 448 HE1 PHE 448 -9.811 -28.729 -2.081 122 HE2 PHE 448 HE2 PHE 448 -7.305 -30.307 1.051 123 HZ PHE 448 HZ PHE 448 -8.339 -28.343 -0.111 124 H PHE 449 H PHE 449 -10.381 -33.272 -4.329 125 HA PHE 449 HA PHE 449 -9.007 -31.239 -6.024 126 HB2 PHE 449 HB2 PHE 449 -9.359 -32.575 -7.840 127 HB3 PHE 449 HB3 PHE 449 -10.079 -33.810 -6.831 128 HD1 PHE 449 HD1 PHE 449 -10.679 -32.128 -9.725 129 HD2 PHE 449 HD2 PHE 449 -12.561 -32.789 -5.926 130 HE1 PHE 449 HE1 PHE 449 -12.864 -31.613 -10.729 131 HE2 PHE 449 HE2 PHE 449 -14.777 -32.256 -6.925 132 HZ PHE 449 HZ PHE 449 -14.928 -31.667 -9.347 133 H SER 450 H SER 450 -10.389 -29.618 -6.536 134 HA SER 450 HA SER 450 -13.231 -30.020 -6.091 135 HB2 SER 450 HB2 SER 450 -12.390 -28.500 -4.313 136 HB3 SER 450 HB3 SER 450 -11.811 -27.416 -5.583 137 HG SER 450 HG SER 450 -14.006 -27.505 -6.409 138 H ILE 451 H ILE 451 -14.189 -29.780 -8.057 139 HA ILE 451 HA ILE 451 -12.569 -28.808 -10.256 140 HB ILE 451 HB ILE 451 -14.469 -30.703 -10.179 141 HG12 ILE 451 HG12 ILE 451 -14.114 -29.067 -12.666 142 HG13 ILE 451 HG13 ILE 451 -12.781 -29.975 -11.977 143 HG21 ILE 451 HG21 ILE 451 -16.184 -28.866 -9.751 144 HG23 ILE 451 HG22 ILE 451 -16.551 -29.995 -11.056 145 HG22 ILE 451 HG23 ILE 451 -15.937 -28.384 -11.430 146 HD13 ILE 451 HD11 ILE 451 -13.544 -31.867 -12.787 147 HD12 ILE 451 HD12 ILE 451 -14.654 -30.888 -13.745 148 HD11 ILE 451 HD13 ILE 451 -15.174 -31.552 -12.196 149 H GLY 452 H GLY 452 -12.479 -26.762 -10.915 150 HA3 GLY 452 HA2 GLY 452 -14.643 -24.932 -10.125 151 HA2 GLY 452 HA3 GLY 452 -13.078 -24.457 -10.800 152 H THR 453 H THR 453 -16.310 -25.470 -11.537 153 HA THR 453 HA THR 453 -15.802 -26.059 -14.270 154 HB THR 453 HB THR 453 -17.711 -26.987 -12.969 155 HG1 THR 453 HG1 THR 453 -18.594 -25.529 -15.217 156 HG23 THR 453 HG21 THR 453 -19.076 -25.582 -11.864 157 HG22 THR 453 HG22 THR 453 -19.625 -24.936 -13.412 158 HG21 THR 453 HG23 THR 453 -18.263 -24.187 -12.576 159 H ASN 454 H ASN 454 -16.319 -23.055 -12.609 160 HA ASN 454 HA ASN 454 -17.446 -21.619 -14.805 161 HB2 ASN 454 HB2 ASN 454 -15.694 -20.675 -12.543 162 HB3 ASN 454 HB3 ASN 454 -16.455 -19.609 -13.714 163 HD21 ASN 454 HD21 ASN 454 -16.783 -21.347 -10.842 164 HD22 ASN 454 HD22 ASN 454 -18.422 -21.034 -10.535 165 H ASP 455 H ASP 455 -14.126 -22.024 -13.618 166 HA ASP 455 HA ASP 455 -13.029 -20.850 -15.946 167 HB2 ASP 455 HB2 ASP 455 -12.066 -21.652 -13.451 168 HB3 ASP 455 HB3 ASP 455 -11.123 -22.498 -14.675 169 H LEU 456 H LEU 456 -13.195 -24.290 -14.934 170 HA LEU 456 HA LEU 456 -12.013 -25.438 -17.131 171 HB2 LEU 456 HB2 LEU 456 -12.531 -27.126 -15.831 172 HB3 LEU 456 HB3 LEU 456 -13.765 -26.195 -15.009 173 HG LEU 456 HG LEU 456 -14.593 -28.277 -15.991 174 HD12 LEU 456 HD11 LEU 456 -16.253 -26.714 -17.708 175 HD11 LEU 456 HD12 LEU 456 -15.844 -25.713 -16.317 176 HD13 LEU 456 HD13 LEU 456 -16.605 -27.285 -16.076 177 HD22 LEU 456 HD21 LEU 456 -14.360 -28.898 -18.183 178 HD21 LEU 456 HD22 LEU 456 -12.936 -27.863 -18.057 179 HD23 LEU 456 HD23 LEU 456 -14.419 -27.238 -18.780 180 H THR 457 H THR 457 -15.406 -24.371 -16.872 181 HA THR 457 HA THR 457 -16.155 -25.329 -19.403 182 HB THR 457 HB THR 457 -17.175 -22.971 -17.802 183 HG1 THR 457 HG1 THR 457 -18.853 -24.876 -17.651 184 HG21 THR 457 HG21 THR 457 -17.806 -22.945 -20.238 185 HG23 THR 457 HG22 THR 457 -19.170 -23.087 -19.129 186 HG22 THR 457 HG23 THR 457 -18.578 -24.510 -19.989 187 H GLN 458 H GLN 458 -14.987 -22.207 -18.258 188 HA GLN 458 HA GLN 458 -14.976 -20.744 -20.538 189 HB2 GLN 458 HB2 GLN 458 -13.116 -20.731 -18.199 190 HB3 GLN 458 HB3 GLN 458 -12.960 -19.577 -19.506 191 HG2 GLN 458 HG2 GLN 458 -14.938 -18.513 -18.970 192 HG3 GLN 458 HG3 GLN 458 -15.578 -19.911 -18.114 193 HE21 GLN 458 HE21 GLN 458 -12.811 -17.623 -17.927 194 HE22 GLN 458 HE22 GLN 458 -12.821 -17.494 -16.234 195 H TYR 459 H TYR 459 -12.244 -22.793 -19.400 196 HA TYR 459 HA TYR 459 -10.797 -22.127 -21.805 197 HB2 TYR 459 HB2 TYR 459 -10.091 -24.257 -19.810 198 HB3 TYR 459 HB3 TYR 459 -9.037 -23.550 -21.032 199 HD1 TYR 459 HD1 TYR 459 -9.762 -23.475 -17.662 200 HD2 TYR 459 HD2 TYR 459 -9.208 -20.857 -20.974 201 HE1 TYR 459 HE1 TYR 459 -9.245 -21.645 -16.141 202 HE2 TYR 459 HE2 TYR 459 -8.668 -19.063 -19.453 203 HH TYR 459 HH TYR 459 -7.915 -19.464 -16.317 204 H THR 460 H THR 460 -12.794 -24.790 -20.809 205 HA THR 460 HA THR 460 -11.691 -26.559 -22.758 206 HB THR 460 HB THR 460 -14.327 -26.536 -21.288 207 HG1 THR 460 HG1 THR 460 -12.033 -28.153 -20.910 208 HG21 THR 460 HG21 THR 460 -13.096 -28.546 -23.140 209 HG23 THR 460 HG22 THR 460 -14.710 -27.836 -23.204 210 HG22 THR 460 HG23 THR 460 -14.303 -28.991 -21.934 211 H LEU 461 H LEU 461 -14.440 -24.315 -22.573 212 HA LEU 461 HA LEU 461 -15.050 -24.804 -25.379 213 HB2 LEU 461 HB2 LEU 461 -16.473 -23.172 -23.307 214 HB3 LEU 461 HB3 LEU 461 -16.938 -23.214 -24.981 215 HG LEU 461 HG LEU 461 -17.320 -25.728 -24.626 216 HD11 LEU 461 HD11 LEU 461 -17.127 -24.786 -21.787 217 HD13 LEU 461 HD12 LEU 461 -16.175 -26.047 -22.573 218 HD12 LEU 461 HD13 LEU 461 -17.899 -26.290 -22.284 219 HD22 LEU 461 HD21 LEU 461 -19.181 -24.336 -24.862 220 HD21 LEU 461 HD22 LEU 461 -18.951 -23.643 -23.256 221 HD23 LEU 461 HD23 LEU 461 -19.466 -25.323 -23.431 222 H ALA 462 H ALA 462 -12.915 -22.817 -23.779 223 HA ALA 462 HA ALA 462 -12.051 -20.715 -24.229 224 HB2 ALA 462 HB1 ALA 462 -12.649 -21.608 -27.043 225 HB1 ALA 462 HB2 ALA 462 -11.114 -21.703 -26.179 226 HB3 ALA 462 HB3 ALA 462 -11.763 -20.134 -26.652 227 H VAL 463 H VAL 463 -14.549 -20.512 -23.291 228 HA VAL 463 HA VAL 463 -15.235 -18.085 -24.690 229 HB VAL 463 HB VAL 463 -17.277 -18.528 -25.243 230 HG13 VAL 463 HG11 VAL 463 -16.940 -20.581 -25.937 231 HG12 VAL 463 HG12 VAL 463 -18.111 -20.953 -24.672 232 HG11 VAL 463 HG13 VAL 463 -16.386 -21.156 -24.368 233 HG22 VAL 463 HG21 VAL 463 -18.401 -17.848 -23.435 234 HG21 VAL 463 HG22 VAL 463 -17.633 -19.023 -22.367 235 HG23 VAL 463 HG23 VAL 463 -18.912 -19.536 -23.470 236 HA ASP 464 HA ASP 464 -14.092 -16.267 -21.122 237 HB2 ASP 464 HB2 ASP 464 -15.057 -13.747 -21.779 238 H ASP 464 HN ASP 464 -15.179 -16.402 -23.699 239 HB3 ASP 464 HB1 ASP 464 -13.452 -14.369 -22.116 240 H ARG 465 H ARG 465 -15.083 -16.317 -19.269 241 HA ARG 465 HA ARG 465 -17.798 -16.719 -18.826 242 HB2 ARG 465 HB2 ARG 465 -15.793 -17.153 -17.320 243 HB3 ARG 465 HB3 ARG 465 -15.937 -15.469 -16.847 244 HG2 ARG 465 HG2 ARG 465 -18.376 -16.019 -16.295 245 HG3 ARG 465 HG3 ARG 465 -17.881 -17.711 -16.408 246 HD2 ARG 465 HD2 ARG 465 -17.633 -17.097 -14.145 247 HD3 ARG 465 HD3 ARG 465 -16.027 -17.195 -14.830 248 HE ARG 465 HE ARG 465 -16.575 -14.548 -14.987 249 HH21 ARG 465 HH11 ARG 465 -16.243 -13.011 -13.288 250 HH22 ARG 465 HH12 ARG 465 -16.244 -13.566 -11.646 251 HH11 ARG 465 HH21 ARG 465 -16.927 -16.903 -12.474 252 HH12 ARG 465 HH22 ARG 465 -16.635 -15.784 -11.183 253 H GLY 466 H GLY 466 -16.028 -13.820 -19.308 254 HA3 GLY 466 HA2 GLY 466 -18.002 -12.078 -18.082 255 HA2 GLY 466 HA3 GLY 466 -16.484 -11.593 -18.819 256 H ASN 467 H ASN 467 -17.457 -13.360 -21.224 257 HA ASN 467 HA ASN 467 -18.289 -10.975 -22.613 258 HB2 ASN 467 HB2 ASN 467 -17.530 -12.098 -24.543 259 HB3 ASN 467 HB3 ASN 467 -16.421 -12.494 -23.247 260 HD21 ASN 467 HD21 ASN 467 -16.368 -14.007 -25.445 261 HD22 ASN 467 HD22 ASN 467 -17.038 -15.541 -25.169 262 H ASP 468 H ASP 468 -20.457 -10.550 -22.471 263 HA ASP 468 HA ASP 468 -22.456 -12.536 -22.489 264 HB2 ASP 468 HB2 ASP 468 -24.090 -10.724 -22.811 265 HB3 ASP 468 HB3 ASP 468 -22.975 -10.446 -21.481 266 HA MET 469 HA MET 469 -22.890 -11.246 -27.095 267 HB2 MET 469 HB2 MET 469 -19.924 -10.948 -27.183 268 HG2 MET 469 HG2 MET 469 -22.222 -9.328 -28.262 269 HE2 MET 469 HE1 MET 469 -17.915 -7.345 -27.317 270 HE1 MET 469 HE2 MET 469 -18.889 -8.360 -26.262 271 HE3 MET 469 HE3 MET 469 -19.451 -6.742 -26.659 272 H MET 469 HN MET 469 -21.026 -10.740 -25.120 273 HB3 MET 469 HB1 MET 469 -20.852 -11.295 -28.640 274 HG3 MET 469 HG1 MET 469 -21.363 -8.996 -26.765 275 H ILE 470 H ILE 470 -20.431 -13.502 -25.857 276 HA ILE 470 HA ILE 470 -21.692 -15.497 -27.596 277 HB ILE 470 HB ILE 470 -19.440 -16.748 -26.598 278 HG12 ILE 470 HG12 ILE 470 -18.773 -14.370 -25.966 279 HG13 ILE 470 HG13 ILE 470 -17.614 -15.363 -26.822 280 HG22 ILE 470 HG21 ILE 470 -19.946 -15.454 -29.271 281 HG21 ILE 470 HG22 ILE 470 -20.445 -17.068 -28.768 282 HG23 ILE 470 HG23 ILE 470 -18.730 -16.690 -28.946 283 HD11 ILE 470 HD11 ILE 470 -18.266 -14.217 -28.907 284 HD13 ILE 470 HD12 ILE 470 -17.555 -13.154 -27.692 285 HD12 ILE 470 HD13 ILE 470 -19.301 -13.160 -27.949 286 H SER 471 H SER 471 -22.437 -14.545 -24.743 287 HA SER 471 HA SER 471 -21.750 -16.554 -22.991 288 HB2 SER 471 HB2 SER 471 -22.861 -14.803 -21.976 289 HB3 SER 471 HB3 SER 471 -24.185 -14.831 -23.131 290 HG SER 471 HG SER 471 -23.580 -16.729 -21.134 291 H HIS 472 H HIS 472 -24.103 -16.766 -25.585 292 HA HIS 472 HA HIS 472 -25.582 -18.905 -24.591 293 HB2 HIS 472 HB2 HIS 472 -26.252 -19.301 -26.961 294 HB3 HIS 472 HB3 HIS 472 -26.477 -17.657 -26.399 295 HD1 HIS 472 HD1 HIS 472 -25.289 -15.828 -27.676 296 HD2 HIS 472 HD2 HIS 472 -24.020 -19.638 -28.787 297 HE1 HIS 472 HE1 HIS 472 -23.790 -15.493 -29.684 298 HE2 HIS 472 HE2 HIS 472 -23.059 -17.819 -30.354 299 H LEU 473 H LEU 473 -22.420 -18.846 -25.804 300 HA LEU 473 HA LEU 473 -22.267 -21.712 -26.385 301 HB2 LEU 473 HB2 LEU 473 -20.230 -21.334 -27.337 302 HB3 LEU 473 HB3 LEU 473 -21.065 -19.841 -27.686 303 HG LEU 473 HG LEU 473 -18.926 -20.346 -25.652 304 HD13 LEU 473 HD11 LEU 473 -17.914 -19.968 -27.716 305 HD12 LEU 473 HD12 LEU 473 -17.903 -18.378 -26.953 306 HD11 LEU 473 HD13 LEU 473 -19.105 -18.756 -28.188 307 HD23 LEU 473 HD21 LEU 473 -19.253 -17.788 -25.302 308 HD22 LEU 473 HD22 LEU 473 -20.284 -18.939 -24.449 309 HD21 LEU 473 HD23 LEU 473 -20.884 -18.112 -25.889 310 H TYR 474 H TYR 474 -22.090 -19.818 -23.617 311 HA TYR 474 HA TYR 474 -19.839 -21.288 -22.506 312 HB2 TYR 474 HB2 TYR 474 -19.800 -19.235 -21.510 313 HB3 TYR 474 HB3 TYR 474 -21.534 -19.010 -21.665 314 HD1 TYR 474 HD1 TYR 474 -18.945 -20.798 -19.684 315 HD2 TYR 474 HD2 TYR 474 -22.976 -19.470 -19.852 316 HE1 TYR 474 HE1 TYR 474 -19.248 -21.413 -17.327 317 HE2 TYR 474 HE2 TYR 474 -23.274 -20.065 -17.511 318 HH TYR 474 HH TYR 474 -21.084 -20.378 -15.396 319 H GLN 475 H GLN 475 -20.455 -23.423 -22.356 320 HA GLN 475 HA GLN 475 -22.946 -23.927 -20.843 321 HB2 GLN 475 HB2 GLN 475 -21.882 -25.525 -23.152 322 HB3 GLN 475 HB3 GLN 475 -23.297 -25.924 -22.182 323 HG2 GLN 475 HG2 GLN 475 -22.988 -23.355 -23.675 324 HG3 GLN 475 HG3 GLN 475 -23.715 -24.792 -24.373 325 HE21 GLN 475 HE21 GLN 475 -24.163 -22.021 -22.500 326 HE22 GLN 475 HE22 GLN 475 -25.762 -22.267 -21.991 No H/Q in entry = 326 In of MODEL 1 1 HA PRO 476 HA PRO 476 -19.785 -26.229 -18.722 2 HB2 PRO 476 HB2 PRO 476 -21.738 -26.155 -16.500 3 HB3 PRO 476 HB3 PRO 476 -20.044 -25.624 -16.513 4 HG2 PRO 476 HG2 PRO 476 -22.006 -23.817 -16.372 5 HG3 PRO 476 HG3 PRO 476 -20.572 -23.505 -17.368 6 HD2 PRO 476 HD2 PRO 476 -23.272 -24.517 -18.238 7 HD3 PRO 476 HD3 PRO 476 -22.278 -23.205 -18.926 8 H MET 477 H MET 477 -23.087 -26.589 -19.567 9 HA MET 477 HA MET 477 -23.027 -29.400 -18.789 10 HB2 MET 477 HB2 MET 477 -25.337 -27.650 -19.538 11 HB3 MET 477 HB3 MET 477 -25.446 -29.383 -19.224 12 HG2 MET 477 HG2 MET 477 -24.473 -29.037 -17.021 13 HG3 MET 477 HG3 MET 477 -24.386 -27.312 -17.331 14 HE1 MET 477 HE1 MET 477 -26.119 -25.949 -18.150 15 HE3 MET 477 HE2 MET 477 -26.811 -25.518 -16.590 16 HE2 MET 477 HE3 MET 477 -27.868 -26.053 -17.894 17 H SER 478 H SER 478 -21.363 -29.067 -20.542 18 HA SER 478 HA SER 478 -22.535 -29.760 -23.151 19 HB2 SER 478 HB2 SER 478 -19.723 -29.062 -22.310 20 HB3 SER 478 HB3 SER 478 -20.231 -29.468 -23.950 21 HG SER 478 HG SER 478 -21.252 -27.638 -24.101 No H/Q in entry = 21 In of MODEL 1 1 HA PRO 479 HA PRO 479 -21.255 -33.961 -22.472 2 HB2 PRO 479 HB2 PRO 479 -20.216 -33.758 -25.253 3 HB3 PRO 479 HB3 PRO 479 -21.310 -34.957 -24.549 4 HG2 PRO 479 HG2 PRO 479 -22.106 -33.079 -26.225 5 HG3 PRO 479 HG3 PRO 479 -23.125 -33.731 -24.940 6 HD2 PRO 479 HD2 PRO 479 -21.830 -31.012 -25.066 7 HD3 PRO 479 HD3 PRO 479 -23.266 -31.541 -24.153 8 H SER 480 H SER 480 -19.243 -31.381 -23.847 9 HA SER 480 HA SER 480 -16.791 -32.813 -23.470 10 HB2 SER 480 HB2 SER 480 -17.501 -30.070 -24.301 11 HB3 SER 480 HB3 SER 480 -15.874 -30.362 -23.708 12 HG SER 480 HG SER 480 -17.134 -31.208 -26.016 13 H VAL 481 H VAL 481 -18.449 -30.352 -21.478 14 HA VAL 481 HA VAL 481 -16.182 -30.321 -19.719 15 HB VAL 481 HB VAL 481 -18.879 -28.986 -19.619 16 HG11 VAL 481 HG11 VAL 481 -16.733 -28.961 -17.521 17 HG13 VAL 481 HG12 VAL 481 -18.378 -29.576 -17.344 18 HG12 VAL 481 HG13 VAL 481 -18.098 -27.850 -17.586 19 HG23 VAL 481 HG21 VAL 481 -16.040 -27.958 -19.676 20 HG22 VAL 481 HG22 VAL 481 -17.501 -26.972 -19.729 21 HG21 VAL 481 HG23 VAL 481 -17.120 -28.058 -21.067 22 H LEU 482 H LEU 482 -19.335 -31.899 -19.804 23 HA LEU 482 HA LEU 482 -19.258 -32.934 -17.180 24 HB2 LEU 482 HB2 LEU 482 -20.783 -33.673 -19.630 25 HB3 LEU 482 HB3 LEU 482 -20.738 -34.826 -18.295 26 HG LEU 482 HG LEU 482 -21.512 -33.142 -16.754 27 HD12 LEU 482 HD11 LEU 482 -21.596 -31.218 -19.051 28 HD11 LEU 482 HD12 LEU 482 -20.489 -31.185 -17.678 29 HD13 LEU 482 HD13 LEU 482 -22.215 -30.920 -17.427 30 HD23 LEU 482 HD21 LEU 482 -23.371 -33.083 -19.118 31 HD22 LEU 482 HD22 LEU 482 -23.786 -32.930 -17.410 32 HD21 LEU 482 HD23 LEU 482 -23.182 -34.465 -18.036 33 H ASN 483 H ASN 483 -18.229 -34.412 -20.241 34 HA ASN 483 HA ASN 483 -17.264 -36.747 -19.120 35 HB2 ASN 483 HB2 ASN 483 -16.596 -35.264 -21.578 36 HB3 ASN 483 HB3 ASN 483 -15.632 -36.660 -21.100 37 HD21 ASN 483 HD21 ASN 483 -18.705 -35.491 -22.142 38 HD22 ASN 483 HD22 ASN 483 -19.414 -37.004 -22.436 39 H LEU 484 H LEU 484 -15.493 -33.711 -19.452 40 HA LEU 484 HA LEU 484 -13.097 -34.620 -18.296 41 HB2 LEU 484 HB2 LEU 484 -12.690 -32.672 -19.301 42 HB3 LEU 484 HB3 LEU 484 -14.270 -32.029 -18.968 43 HG LEU 484 HG LEU 484 -12.144 -32.162 -16.844 44 HD12 LEU 484 HD11 LEU 484 -11.544 -29.846 -17.484 45 HD11 LEU 484 HD12 LEU 484 -12.588 -29.985 -18.900 46 HD13 LEU 484 HD13 LEU 484 -11.162 -31.011 -18.752 47 HD21 LEU 484 HD21 LEU 484 -14.775 -30.803 -17.235 48 HD23 LEU 484 HD22 LEU 484 -13.535 -29.964 -16.301 49 HD22 LEU 484 HD23 LEU 484 -14.100 -31.554 -15.788 50 H ILE 485 H ILE 485 -16.038 -33.258 -16.856 51 HA ILE 485 HA ILE 485 -15.094 -33.135 -14.175 52 HB ILE 485 HB ILE 485 -17.842 -33.555 -15.298 53 HG12 ILE 485 HG12 ILE 485 -16.661 -31.217 -13.804 54 HG13 ILE 485 HG13 ILE 485 -16.666 -31.356 -15.557 55 HG23 ILE 485 HG21 ILE 485 -18.085 -34.630 -13.216 56 HG22 ILE 485 HG22 ILE 485 -18.594 -32.973 -12.890 57 HG21 ILE 485 HG23 ILE 485 -16.986 -33.513 -12.403 58 HD13 ILE 485 HD11 ILE 485 -18.982 -31.294 -15.643 59 HD12 ILE 485 HD12 ILE 485 -18.500 -30.027 -14.514 60 HD11 ILE 485 HD13 ILE 485 -19.128 -31.561 -13.909 61 H LYS 486 H LYS 486 -16.707 -35.778 -15.916 62 HA LYS 486 HA LYS 486 -16.812 -37.616 -13.824 63 HB2 LYS 486 HB2 LYS 486 -17.890 -37.853 -16.144 64 HB3 LYS 486 HB3 LYS 486 -16.313 -38.385 -16.712 65 HG2 LYS 486 HG2 LYS 486 -16.541 -40.063 -14.617 66 HG3 LYS 486 HG3 LYS 486 -18.256 -39.793 -14.902 67 HD2 LYS 486 HD2 LYS 486 -17.970 -40.513 -17.278 68 HD3 LYS 486 HD3 LYS 486 -16.260 -40.787 -16.989 69 HE2 LYS 486 HE2 LYS 486 -18.384 -42.663 -16.667 70 HE3 LYS 486 HE3 LYS 486 -16.691 -42.904 -16.275 71 HZ2 LYS 486 HZ1 LYS 486 -18.763 -43.002 -14.491 72 HZ1 LYS 486 HZ2 LYS 486 -18.132 -41.448 -14.224 73 HZ3 LYS 486 HZ3 LYS 486 -17.129 -42.810 -14.074 74 H GLN 487 H GLN 487 -14.340 -36.811 -16.110 75 HA GLN 487 HA GLN 487 -12.836 -39.130 -15.665 76 HB2 GLN 487 HB2 GLN 487 -12.517 -38.127 -17.737 77 HB3 GLN 487 HB3 GLN 487 -12.463 -36.514 -17.068 78 HG2 GLN 487 HG2 GLN 487 -10.222 -36.960 -16.218 79 HG3 GLN 487 HG3 GLN 487 -10.292 -38.579 -16.902 80 HE21 GLN 487 HE21 GLN 487 -11.417 -38.183 -19.338 81 HE22 GLN 487 HE22 GLN 487 -10.436 -37.195 -20.308 82 H VAL 488 H VAL 488 -12.930 -35.932 -14.276 83 HA VAL 488 HA VAL 488 -10.541 -36.114 -12.724 84 HB VAL 488 HB VAL 488 -12.919 -34.267 -12.410 85 HG11 VAL 488 HG11 VAL 488 -10.195 -34.185 -11.124 86 HG13 VAL 488 HG12 VAL 488 -11.763 -34.307 -10.325 87 HG12 VAL 488 HG13 VAL 488 -11.310 -32.819 -11.156 88 HG21 VAL 488 HG21 VAL 488 -11.629 -34.204 -14.532 89 HG23 VAL 488 HG22 VAL 488 -10.245 -33.674 -13.575 90 HG22 VAL 488 HG23 VAL 488 -11.712 -32.694 -13.628 91 H ILE 489 H ILE 489 -13.994 -36.456 -11.953 92 HA ILE 489 HA ILE 489 -13.782 -36.977 -9.227 93 HB ILE 489 HB ILE 489 -15.685 -38.109 -11.251 94 HG12 ILE 489 HG12 ILE 489 -15.928 -35.821 -9.297 95 HG13 ILE 489 HG13 ILE 489 -15.746 -35.676 -11.035 96 HG23 ILE 489 HG21 ILE 489 -15.763 -39.596 -9.410 97 HG22 ILE 489 HG22 ILE 489 -17.132 -38.503 -9.204 98 HG21 ILE 489 HG23 ILE 489 -15.670 -38.277 -8.243 99 HD12 ILE 489 HD11 ILE 489 -18.148 -36.407 -9.427 100 HD11 ILE 489 HD12 ILE 489 -17.962 -37.190 -10.996 101 HD13 ILE 489 HD13 ILE 489 -18.026 -35.431 -10.891 102 H ASP 490 H ASP 490 -13.788 -39.223 -11.983 103 HA ASP 490 HA ASP 490 -13.376 -41.557 -10.561 104 HB2 ASP 490 HB2 ASP 490 -12.654 -40.870 -13.399 105 HB3 ASP 490 HB3 ASP 490 -12.472 -42.478 -12.716 106 H ALA 491 H ALA 491 -10.936 -39.384 -12.008 107 HA ALA 491 HA ALA 491 -8.659 -40.796 -11.239 108 HB1 ALA 491 HB1 ALA 491 -9.091 -37.822 -11.253 109 HB3 ALA 491 HB2 ALA 491 -8.331 -38.814 -12.498 110 HB2 ALA 491 HB3 ALA 491 -7.533 -38.587 -10.941 111 H SER 492 H SER 492 -10.371 -38.355 -9.245 112 HA SER 492 HA SER 492 -9.130 -38.482 -6.814 113 HB2 SER 492 HB2 SER 492 -11.990 -38.330 -7.629 114 HB3 SER 492 HB3 SER 492 -11.645 -38.692 -5.938 115 HG SER 492 HG SER 492 -10.084 -36.722 -6.998 116 H HIS 493 H HIS 493 -11.779 -40.578 -7.848 117 HA HIS 493 HA HIS 493 -11.720 -41.998 -5.456 118 HB2 HIS 493 HB2 HIS 493 -13.041 -42.748 -8.052 119 HB3 HIS 493 HB3 HIS 493 -13.305 -43.561 -6.522 120 HD1 HIS 493 HD1 HIS 493 -13.154 -40.470 -5.198 121 HD2 HIS 493 HD2 HIS 493 -15.868 -42.104 -7.878 122 HE1 HIS 493 HE1 HIS 493 -15.232 -39.066 -4.985 123 HE2 HIS 493 HE2 HIS 493 -16.870 -40.084 -6.609 124 H ALA 494 H ALA 494 -10.180 -42.529 -8.546 125 HA ALA 494 HA ALA 494 -9.556 -45.228 -8.020 126 HB2 ALA 494 HB1 ALA 494 -8.090 -45.208 -9.851 127 HB3 ALA 494 HB2 ALA 494 -7.794 -43.475 -9.712 128 HB1 ALA 494 HB3 ALA 494 -9.357 -44.059 -10.284 129 H GLU 495 H GLU 495 -8.020 -42.207 -6.974 130 HA GLU 495 HA GLU 495 -5.823 -43.722 -5.750 131 HB2 GLU 495 HB2 GLU 495 -6.471 -40.794 -5.589 132 HB3 GLU 495 HB3 GLU 495 -5.110 -41.560 -4.801 133 HG2 GLU 495 HG2 GLU 495 -5.616 -41.199 -7.710 134 HG3 GLU 495 HG3 GLU 495 -4.322 -40.524 -6.729 135 H GLY 496 H GLY 496 -8.950 -43.235 -4.924 136 HA3 GLY 496 HA2 GLY 496 -10.041 -43.583 -2.911 137 HA2 GLY 496 HA3 GLY 496 -8.481 -43.792 -2.136 138 H LYS 497 H LYS 497 -8.937 -40.922 -3.966 139 HA LYS 497 HA LYS 497 -9.394 -39.295 -1.533 140 HB2 LYS 497 HB2 LYS 497 -8.601 -37.405 -2.785 141 HB3 LYS 497 HB3 LYS 497 -7.413 -38.686 -2.943 142 HG2 LYS 497 HG2 LYS 497 -8.250 -39.224 -5.130 143 HG3 LYS 497 HG3 LYS 497 -9.529 -38.040 -4.964 144 HD2 LYS 497 HD2 LYS 497 -6.885 -36.894 -4.576 145 HD3 LYS 497 HD3 LYS 497 -7.087 -37.643 -6.160 146 HE2 LYS 497 HE2 LYS 497 -8.730 -36.188 -6.787 147 HE3 LYS 497 HE3 LYS 497 -9.288 -35.939 -5.123 148 HZ3 LYS 497 HZ1 LYS 497 -7.428 -34.661 -4.634 149 HZ2 LYS 497 HZ2 LYS 497 -7.997 -34.084 -6.127 150 HZ1 LYS 497 HZ3 LYS 497 -6.636 -35.100 -6.067 151 H TRP 498 H TRP 498 -10.508 -37.157 -2.549 152 HA TRP 498 HA TRP 498 -12.960 -38.059 -3.884 153 HB2 TRP 498 HB2 TRP 498 -14.011 -36.331 -2.194 154 HB3 TRP 498 HB3 TRP 498 -13.753 -38.006 -1.743 155 HD1 TRP 498 HD1 TRP 498 -12.659 -34.476 -0.888 156 HE1 TRP 498 HE1 TRP 498 -11.109 -34.515 1.170 157 HE3 TRP 498 HE3 TRP 498 -11.929 -39.527 -0.498 158 HZ2 TRP 498 HZ2 TRP 498 -9.767 -36.363 2.728 159 HZ3 TRP 498 HZ3 TRP 498 -10.495 -40.372 1.359 160 HH2 TRP 498 HH2 TRP 498 -9.435 -38.798 2.940 161 H THR 499 H THR 499 -14.226 -36.388 -4.837 162 HA THR 499 HA THR 499 -12.658 -33.969 -5.444 163 HB THR 499 HB THR 499 -12.821 -34.815 -7.566 164 HG1 THR 499 HG1 THR 499 -15.374 -34.398 -8.015 165 HG21 THR 499 HG21 THR 499 -15.042 -36.467 -6.409 166 HG23 THR 499 HG22 THR 499 -13.561 -36.998 -7.207 167 HG22 THR 499 HG23 THR 499 -14.880 -36.314 -8.158 168 H GLY 500 H GLY 500 -13.658 -32.170 -5.001 169 HA3 GLY 500 HA2 GLY 500 -16.572 -32.216 -4.494 170 HA2 GLY 500 HA3 GLY 500 -15.484 -31.049 -3.737 171 H MET 501 H MET 501 -17.320 -29.808 -4.962 172 HA MET 501 HA MET 501 -16.138 -28.760 -7.424 173 HB2 MET 501 HB2 MET 501 -18.984 -29.666 -7.076 174 HB3 MET 501 HB3 MET 501 -18.437 -28.628 -8.386 175 HG2 MET 501 HG2 MET 501 -16.707 -30.459 -8.827 176 HG3 MET 501 HG3 MET 501 -17.707 -31.466 -7.807 177 HE2 MET 501 HE1 MET 501 -19.364 -29.403 -11.783 178 HE1 MET 501 HE2 MET 501 -18.358 -28.689 -10.526 179 HE3 MET 501 HE3 MET 501 -20.074 -28.949 -10.223 180 H CYS 502 H CYS 502 -15.896 -26.593 -7.090 181 HA CYS 502 HA CYS 502 -17.954 -25.272 -5.459 182 HB2 CYS 502 HB2 CYS 502 -16.345 -23.498 -4.993 183 HB3 CYS 502 HB3 CYS 502 -15.797 -25.063 -4.420 184 HG CYS 502 HG CYS 502 -14.527 -24.902 -6.931 185 H GLY 503 H GLY 503 -16.881 -25.584 -8.594 186 HA3 GLY 503 HA2 GLY 503 -17.494 -23.030 -9.691 187 HA2 GLY 503 HA3 GLY 503 -17.657 -24.579 -10.520 188 H GLU 504 H GLU 504 -19.457 -22.491 -10.826 189 HA GLU 504 HA GLU 504 -21.617 -22.625 -9.054 190 HB2 GLU 504 HB2 GLU 504 -21.284 -20.681 -10.320 191 HB3 GLU 504 HB3 GLU 504 -21.495 -21.555 -11.833 192 HG2 GLU 504 HG2 GLU 504 -23.646 -21.535 -9.752 193 HG3 GLU 504 HG3 GLU 504 -23.476 -20.201 -10.882 194 H LEU 505 H LEU 505 -20.844 -24.835 -11.533 195 HA LEU 505 HA LEU 505 -23.387 -25.843 -12.167 196 HB2 LEU 505 HB2 LEU 505 -20.659 -26.936 -12.076 197 HB3 LEU 505 HB3 LEU 505 -21.976 -28.083 -12.079 198 HG LEU 505 HG LEU 505 -21.348 -26.004 -14.155 199 HD11 LEU 505 HD11 LEU 505 -19.862 -27.868 -14.074 200 HD13 LEU 505 HD12 LEU 505 -20.888 -27.989 -15.505 201 HD12 LEU 505 HD13 LEU 505 -21.216 -28.997 -14.094 202 HD23 LEU 505 HD21 LEU 505 -23.192 -27.643 -15.334 203 HD22 LEU 505 HD22 LEU 505 -23.562 -26.065 -14.641 204 HD21 LEU 505 HD23 LEU 505 -23.832 -27.530 -13.695 205 H ALA 506 H ALA 506 -21.328 -26.476 -9.364 206 HA ALA 506 HA ALA 506 -22.659 -28.611 -8.178 207 HB2 ALA 506 HB1 ALA 506 -20.622 -27.864 -7.186 208 HB1 ALA 506 HB2 ALA 506 -21.893 -27.597 -5.992 209 HB3 ALA 506 HB3 ALA 506 -21.267 -26.243 -6.933 210 H GLY 507 H GLY 507 -23.325 -25.137 -8.044 211 HA3 GLY 507 HA2 GLY 507 -25.637 -25.536 -6.355 212 HA2 GLY 507 HA3 GLY 507 -25.021 -24.006 -6.943 213 H ASP 508 H ASP 508 -25.303 -25.977 -9.589 214 HA ASP 508 HA ASP 508 -27.664 -24.526 -10.480 215 HB2 ASP 508 HB2 ASP 508 -25.496 -24.757 -11.751 216 HB3 ASP 508 HB3 ASP 508 -25.867 -26.456 -11.965 217 H GLU 509 H GLU 509 -29.652 -25.400 -10.123 218 HA GLU 509 HA GLU 509 -30.377 -27.870 -9.196 219 HB2 GLU 509 HB2 GLU 509 -32.593 -27.513 -10.050 220 HB3 GLU 509 HB3 GLU 509 -31.944 -26.046 -9.360 221 HG2 GLU 509 HG2 GLU 509 -31.365 -25.422 -11.780 222 HG3 GLU 509 HG3 GLU 509 -32.469 -26.715 -12.224 223 H ARG 510 H ARG 510 -29.392 -27.217 -12.427 224 HA ARG 510 HA ARG 510 -30.906 -29.418 -13.542 225 HB2 ARG 510 HB2 ARG 510 -28.916 -27.563 -14.816 226 HB3 ARG 510 HB3 ARG 510 -30.047 -28.614 -15.650 227 HG2 ARG 510 HG2 ARG 510 -30.862 -26.418 -13.784 228 HG3 ARG 510 HG3 ARG 510 -30.719 -26.230 -15.532 229 HD2 ARG 510 HD2 ARG 510 -32.514 -28.125 -14.049 230 HD3 ARG 510 HD3 ARG 510 -32.997 -26.732 -15.020 231 HE ARG 510 HE ARG 510 -32.178 -29.327 -15.992 232 HH21 ARG 510 HH11 ARG 510 -32.338 -29.725 -18.147 233 HH22 ARG 510 HH12 ARG 510 -32.550 -28.421 -19.266 234 HH11 ARG 510 HH21 ARG 510 -32.588 -25.943 -16.778 235 HH12 ARG 510 HH22 ARG 510 -32.696 -26.235 -18.482 236 H ALA 511 H ALA 511 -27.800 -28.946 -12.251 237 HA ALA 511 HA ALA 511 -26.766 -31.210 -13.781 238 HB2 ALA 511 HB1 ALA 511 -25.257 -29.396 -11.961 239 HB1 ALA 511 HB2 ALA 511 -25.511 -29.076 -13.678 240 HB3 ALA 511 HB3 ALA 511 -24.622 -30.512 -13.167 241 H THR 512 H THR 512 -28.032 -30.368 -10.744 242 HA THR 512 HA THR 512 -26.532 -31.658 -8.946 243 HB THR 512 HB THR 512 -28.619 -32.076 -7.650 244 HG1 THR 512 HG1 THR 512 -29.784 -30.896 -9.959 245 HG22 THR 512 HG21 THR 512 -29.175 -29.631 -7.567 246 HG21 THR 512 HG22 THR 512 -28.081 -29.412 -8.933 247 HG23 THR 512 HG23 THR 512 -27.462 -30.015 -7.394 248 H LEU 513 H LEU 513 -29.201 -33.341 -10.732 249 HA LEU 513 HA LEU 513 -28.652 -35.872 -9.577 250 HB2 LEU 513 HB2 LEU 513 -29.800 -35.510 -12.305 251 HB3 LEU 513 HB3 LEU 513 -29.916 -36.911 -11.277 252 HG LEU 513 HG LEU 513 -32.021 -35.807 -11.348 253 HD11 LEU 513 HD11 LEU 513 -31.285 -36.793 -9.202 254 HD13 LEU 513 HD12 LEU 513 -32.445 -35.480 -8.990 255 HD12 LEU 513 HD13 LEU 513 -30.730 -35.199 -8.684 256 HD21 LEU 513 HD21 LEU 513 -30.989 -33.550 -11.880 257 HD23 LEU 513 HD22 LEU 513 -30.865 -33.348 -10.132 258 HD22 LEU 513 HD23 LEU 513 -32.443 -33.589 -10.885 259 H LEU 514 H LEU 514 -27.215 -34.343 -12.400 260 HA LEU 514 HA LEU 514 -25.827 -36.708 -13.254 261 HB2 LEU 514 HB2 LEU 514 -25.696 -33.808 -13.931 262 HB3 LEU 514 HB3 LEU 514 -24.327 -34.820 -14.353 263 HG LEU 514 HG LEU 514 -25.695 -36.204 -15.752 264 HD13 LEU 514 HD11 LEU 514 -28.041 -35.897 -15.977 265 HD12 LEU 514 HD12 LEU 514 -28.001 -34.528 -14.866 266 HD11 LEU 514 HD13 LEU 514 -27.648 -36.152 -14.279 267 HD23 LEU 514 HD21 LEU 514 -26.898 -33.913 -16.859 268 HD22 LEU 514 HD22 LEU 514 -25.339 -34.620 -17.285 269 HD21 LEU 514 HD23 LEU 514 -25.430 -33.362 -16.054 270 H LEU 515 H LEU 515 -24.797 -33.765 -11.540 271 HA LEU 515 HA LEU 515 -22.161 -34.454 -11.034 272 HB2 LEU 515 HB2 LEU 515 -24.160 -33.038 -9.266 273 HB3 LEU 515 HB3 LEU 515 -22.414 -33.011 -9.047 274 HG LEU 515 HG LEU 515 -23.869 -32.024 -11.506 275 HD12 LEU 515 HD11 LEU 515 -23.007 -29.836 -10.703 276 HD11 LEU 515 HD12 LEU 515 -22.565 -30.632 -9.193 277 HD13 LEU 515 HD13 LEU 515 -24.257 -30.543 -9.684 278 HD23 LEU 515 HD21 LEU 515 -21.432 -31.012 -11.677 279 HD22 LEU 515 HD22 LEU 515 -21.798 -32.629 -12.279 280 HD21 LEU 515 HD23 LEU 515 -21.037 -32.425 -10.701 281 H LEU 516 H LEU 516 -25.114 -35.164 -9.180 282 HA LEU 516 HA LEU 516 -23.901 -36.723 -7.177 283 HB2 LEU 516 HB2 LEU 516 -26.141 -35.812 -7.155 284 HB3 LEU 516 HB3 LEU 516 -26.617 -36.920 -8.388 285 HG LEU 516 HG LEU 516 -27.480 -37.222 -6.038 286 HD13 LEU 516 HD11 LEU 516 -27.939 -39.121 -7.338 287 HD12 LEU 516 HD12 LEU 516 -27.011 -39.773 -5.988 288 HD11 LEU 516 HD13 LEU 516 -26.230 -39.507 -7.547 289 HD21 LEU 516 HD21 LEU 516 -25.270 -36.726 -5.034 290 HD23 LEU 516 HD22 LEU 516 -24.666 -38.266 -5.647 291 HD22 LEU 516 HD23 LEU 516 -25.951 -38.241 -4.439 292 H GLY 517 H GLY 517 -25.436 -37.823 -10.202 293 HA3 GLY 517 HA2 GLY 517 -25.083 -40.564 -9.790 294 HA2 GLY 517 HA3 GLY 517 -25.343 -39.796 -11.353 295 H MET 518 H MET 518 -22.977 -38.126 -11.081 296 HA MET 518 HA MET 518 -21.100 -39.977 -12.217 297 HB2 MET 518 HB2 MET 518 -21.655 -37.402 -12.668 298 HB3 MET 518 HB3 MET 518 -20.293 -37.224 -11.581 299 HG2 MET 518 HG2 MET 518 -18.855 -38.480 -13.077 300 HG3 MET 518 HG3 MET 518 -20.233 -38.865 -14.131 301 HE3 MET 518 HE1 MET 518 -21.248 -36.018 -16.056 302 HE2 MET 518 HE2 MET 518 -22.032 -36.165 -14.485 303 HE1 MET 518 HE3 MET 518 -21.486 -37.614 -15.329 304 H GLY 519 H GLY 519 -21.821 -39.155 -9.111 305 HA3 GLY 519 HA2 GLY 519 -20.826 -40.051 -7.239 306 HA2 GLY 519 HA3 GLY 519 -19.395 -40.390 -8.181 307 H LEU 520 H LEU 520 -20.364 -37.117 -8.333 308 HA LEU 520 HA LEU 520 -18.065 -36.055 -7.175 309 HB2 LEU 520 HB2 LEU 520 -19.975 -35.008 -8.566 310 HB3 LEU 520 HB3 LEU 520 -20.755 -34.755 -7.023 311 HG LEU 520 HG LEU 520 -18.339 -33.459 -8.171 312 HD12 LEU 520 HD11 LEU 520 -19.540 -31.551 -6.913 313 HD11 LEU 520 HD12 LEU 520 -20.890 -32.681 -6.799 314 HD13 LEU 520 HD13 LEU 520 -20.285 -32.183 -8.381 315 HD23 LEU 520 HD21 LEU 520 -17.830 -32.700 -5.864 316 HD22 LEU 520 HD22 LEU 520 -17.545 -34.421 -6.138 317 HD21 LEU 520 HD23 LEU 520 -18.990 -33.888 -5.274 318 H ASP 521 H ASP 521 -17.459 -35.693 -5.113 319 HA ASP 521 HA ASP 521 -18.959 -37.042 -3.030 320 HB2 ASP 521 HB2 ASP 521 -16.482 -37.283 -3.362 321 HB3 ASP 521 HB3 ASP 521 -16.313 -35.627 -2.797 322 H GLU 522 H GLU 522 -18.073 -33.842 -3.936 323 HA GLU 522 HA GLU 522 -19.476 -32.803 -1.584 324 HB2 GLU 522 HB2 GLU 522 -16.620 -32.429 -2.392 325 HB3 GLU 522 HB3 GLU 522 -17.446 -31.206 -1.451 326 HG2 GLU 522 HG2 GLU 522 -16.995 -32.339 0.382 327 HG3 GLU 522 HG3 GLU 522 -17.959 -33.680 -0.214 328 H PHE 523 H PHE 523 -20.618 -30.989 -1.909 329 HA PHE 523 HA PHE 523 -20.245 -29.615 -4.516 330 HB2 PHE 523 HB2 PHE 523 -22.728 -29.875 -2.809 331 HB3 PHE 523 HB3 PHE 523 -22.596 -28.822 -4.202 332 HD1 PHE 523 HD1 PHE 523 -21.889 -32.429 -3.405 333 HD2 PHE 523 HD2 PHE 523 -23.641 -29.573 -6.048 334 HE1 PHE 523 HE1 PHE 523 -22.680 -34.267 -4.808 335 HE2 PHE 523 HE2 PHE 523 -24.465 -31.419 -7.502 336 HZ PHE 523 HZ PHE 523 -23.945 -33.779 -6.891 337 H SER 524 H SER 524 -19.841 -27.403 -4.409 338 HA SER 524 HA SER 524 -20.508 -26.215 -1.803 339 HB2 SER 524 HB2 SER 524 -18.427 -25.355 -1.332 340 HB3 SER 524 HB3 SER 524 -17.998 -26.904 -2.055 341 HG SER 524 HG SER 524 -17.353 -25.914 -3.820 342 H MET 525 H MET 525 -21.434 -24.258 -1.934 343 HA MET 525 HA MET 525 -21.361 -22.912 -4.560 344 HB2 MET 525 HB2 MET 525 -23.116 -24.624 -4.496 345 HB3 MET 525 HB3 MET 525 -23.780 -23.860 -3.058 346 HG2 MET 525 HG2 MET 525 -24.916 -23.256 -5.191 347 HG3 MET 525 HG3 MET 525 -24.304 -21.883 -4.264 348 HE2 MET 525 HE1 MET 525 -23.467 -20.172 -7.771 349 HE1 MET 525 HE2 MET 525 -24.544 -20.227 -6.378 350 HE3 MET 525 HE3 MET 525 -24.847 -21.283 -7.756 351 H SER 526 H SER 526 -22.927 -21.026 -4.481 352 HA SER 526 HA SER 526 -22.611 -19.182 -2.357 353 HB2 SER 526 HB2 SER 526 -24.534 -18.154 -3.291 354 HB3 SER 526 HB3 SER 526 -23.660 -18.830 -4.654 355 HG SER 526 HG SER 526 -25.867 -19.976 -3.301 356 H ALA 527 H ALA 527 -23.568 -19.230 -0.393 357 HA ALA 527 HA ALA 527 -24.669 -21.491 0.769 358 HB2 ALA 527 HB1 ALA 527 -24.972 -18.583 1.398 359 HB1 ALA 527 HB2 ALA 527 -23.873 -19.755 2.127 360 HB3 ALA 527 HB3 ALA 527 -25.609 -19.863 2.429 361 H ILE 528 H ILE 528 -26.410 -18.741 -0.754 362 HA ILE 528 HA ILE 528 -28.998 -19.466 -0.119 363 HB ILE 528 HB ILE 528 -28.092 -18.251 -2.728 364 HG12 ILE 528 HG12 ILE 528 -27.185 -17.124 -0.657 365 HG13 ILE 528 HG13 ILE 528 -28.266 -16.108 -1.608 366 HG22 ILE 528 HG21 ILE 528 -30.395 -17.061 -2.267 367 HG21 ILE 528 HG22 ILE 528 -30.711 -18.484 -1.274 368 HG23 ILE 528 HG23 ILE 528 -30.372 -18.667 -2.996 369 HD11 ILE 528 HD11 ILE 528 -30.146 -16.795 -0.087 370 HD13 ILE 528 HD12 ILE 528 -28.876 -15.881 0.726 371 HD12 ILE 528 HD13 ILE 528 -28.962 -17.631 0.919 372 H SER 529 H SER 529 -26.938 -21.193 -2.317 373 HA SER 529 HA SER 529 -29.270 -22.356 -3.623 374 HB2 SER 529 HB2 SER 529 -26.554 -21.951 -4.332 375 HB3 SER 529 HB3 SER 529 -26.930 -23.672 -4.435 376 HG SER 529 HG SER 529 -27.467 -22.326 -6.323 377 H ILE 530 H ILE 530 -27.489 -22.939 -0.902 378 HA ILE 530 HA ILE 530 -27.060 -25.656 -1.114 379 HB ILE 530 HB ILE 530 -27.257 -23.848 1.220 380 HG12 ILE 530 HG12 ILE 530 -25.150 -25.595 -0.013 381 HG13 ILE 530 HG13 ILE 530 -25.349 -23.878 -0.288 382 HG23 ILE 530 HG21 ILE 530 -28.199 -25.811 2.150 383 HG22 ILE 530 HG22 ILE 530 -26.492 -25.821 2.592 384 HG21 ILE 530 HG23 ILE 530 -27.069 -26.848 1.278 385 HD13 ILE 530 HD11 ILE 530 -23.903 -23.559 1.370 386 HD12 ILE 530 HD12 ILE 530 -23.952 -25.263 1.818 387 HD11 ILE 530 HD13 ILE 530 -25.142 -24.141 2.478 No H/Q in entry = 387 In of MODEL 1 1 HA PRO 531 HA PRO 531 -31.225 -26.601 0.919 2 HB2 PRO 531 HB2 PRO 531 -32.867 -24.269 0.086 3 HB3 PRO 531 HB3 PRO 531 -32.941 -25.249 1.567 4 HG2 PRO 531 HG2 PRO 531 -31.842 -22.853 1.705 5 HG3 PRO 531 HG3 PRO 531 -31.011 -24.220 2.487 6 HD2 PRO 531 HD2 PRO 531 -30.467 -23.001 -0.210 7 HD3 PRO 531 HD3 PRO 531 -29.316 -23.379 1.100 8 H ARG 532 H ARG 532 -31.419 -24.767 -2.229 9 HA ARG 532 HA ARG 532 -33.501 -26.367 -3.305 10 HB2 ARG 532 HB2 ARG 532 -31.241 -24.996 -4.746 11 HB3 ARG 532 HB3 ARG 532 -32.587 -25.783 -5.551 12 HG2 ARG 532 HG2 ARG 532 -33.399 -23.677 -5.523 13 HG3 ARG 532 HG3 ARG 532 -33.961 -24.180 -3.931 14 HD2 ARG 532 HD2 ARG 532 -31.885 -23.210 -2.932 15 HD3 ARG 532 HD3 ARG 532 -31.413 -22.639 -4.527 16 HE ARG 532 HE ARG 532 -33.128 -21.020 -4.429 17 HH21 ARG 532 HH11 ARG 532 -34.411 -19.579 -3.274 18 HH22 ARG 532 HH12 ARG 532 -34.850 -19.936 -1.638 19 HH11 ARG 532 HH21 ARG 532 -33.138 -23.015 -1.534 20 HH12 ARG 532 HH22 ARG 532 -34.120 -21.907 -0.637 21 H ILE 533 H ILE 533 -30.014 -26.679 -3.412 22 HA ILE 533 HA ILE 533 -30.078 -28.983 -5.036 23 HB ILE 533 HB ILE 533 -27.719 -29.153 -4.527 24 HG12 ILE 533 HG12 ILE 533 -28.254 -26.971 -2.518 25 HG13 ILE 533 HG13 ILE 533 -27.760 -28.610 -2.184 26 HG21 ILE 533 HG21 ILE 533 -28.775 -27.487 -6.212 27 HG23 ILE 533 HG22 ILE 533 -27.059 -27.344 -5.834 28 HG22 ILE 533 HG23 ILE 533 -28.219 -26.241 -5.093 29 HD13 ILE 533 HD11 ILE 533 -25.834 -27.369 -1.854 30 HD12 ILE 533 HD12 ILE 533 -26.149 -26.318 -3.235 31 HD11 ILE 533 HD13 ILE 533 -25.620 -27.981 -3.494 32 H LYS 534 H LYS 534 -29.691 -28.473 -1.543 33 HA LYS 534 HA LYS 534 -29.293 -31.114 -0.745 34 HB2 LYS 534 HB2 LYS 534 -29.214 -29.139 0.756 35 HB3 LYS 534 HB3 LYS 534 -30.953 -28.977 0.609 36 HG2 LYS 534 HG2 LYS 534 -31.292 -31.085 1.706 37 HG3 LYS 534 HG3 LYS 534 -29.577 -31.419 1.698 38 HD2 LYS 534 HD2 LYS 534 -30.109 -30.799 3.956 39 HD3 LYS 534 HD3 LYS 534 -29.317 -29.381 3.272 40 HE2 LYS 534 HE2 LYS 534 -31.477 -28.375 2.804 41 HE3 LYS 534 HE3 LYS 534 -32.299 -29.801 3.382 42 HZ3 LYS 534 HZ1 LYS 534 -31.595 -29.305 5.580 43 HZ2 LYS 534 HZ2 LYS 534 -32.352 -27.942 4.905 44 HZ1 LYS 534 HZ3 LYS 534 -30.659 -28.000 5.040 45 H LYS 535 H LYS 535 -32.328 -29.300 -1.367 46 HA LYS 535 HA LYS 535 -34.149 -31.289 -0.764 47 HB2 LYS 535 HB2 LYS 535 -34.241 -28.750 -1.939 48 HB3 LYS 535 HB3 LYS 535 -35.079 -29.833 -3.038 49 HG2 LYS 535 HG2 LYS 535 -35.658 -29.726 -0.082 50 HG3 LYS 535 HG3 LYS 535 -36.503 -28.730 -1.268 51 HD2 LYS 535 HD2 LYS 535 -37.191 -30.761 -2.475 52 HD3 LYS 535 HD3 LYS 535 -36.364 -31.750 -1.279 53 HE2 LYS 535 HE2 LYS 535 -37.850 -30.907 0.463 54 HE3 LYS 535 HE3 LYS 535 -38.661 -29.876 -0.723 55 HZ1 LYS 535 HZ1 LYS 535 -38.838 -32.141 -1.995 56 HZ3 LYS 535 HZ2 LYS 535 -39.984 -31.702 -0.820 57 HZ2 LYS 535 HZ3 LYS 535 -38.734 -32.783 -0.429 58 H ILE 536 H ILE 536 -32.613 -30.614 -3.885 59 HA ILE 536 HA ILE 536 -33.972 -32.628 -5.308 60 HB ILE 536 HB ILE 536 -31.301 -31.345 -5.855 61 HG12 ILE 536 HG12 ILE 536 -33.988 -30.945 -7.177 62 HG13 ILE 536 HG13 ILE 536 -33.376 -29.918 -5.891 63 HG23 ILE 536 HG21 ILE 536 -31.180 -33.354 -7.078 64 HG22 ILE 536 HG22 ILE 536 -31.863 -32.221 -8.244 65 HG21 ILE 536 HG23 ILE 536 -32.913 -33.368 -7.411 66 HD12 ILE 536 HD11 ILE 536 -33.018 -28.953 -8.167 67 HD11 ILE 536 HD12 ILE 536 -31.992 -30.333 -8.562 68 HD13 ILE 536 HD13 ILE 536 -31.506 -29.207 -7.292 69 H ILE 537 H ILE 537 -31.082 -32.626 -3.357 70 HA ILE 537 HA ILE 537 -30.215 -35.193 -4.234 71 HB ILE 537 HB ILE 537 -29.374 -33.532 -1.849 72 HG12 ILE 537 HG12 ILE 537 -28.809 -32.733 -4.141 73 HG13 ILE 537 HG13 ILE 537 -27.409 -33.073 -3.157 74 HG22 ILE 537 HG21 ILE 537 -27.442 -35.225 -1.808 75 HG21 ILE 537 HG22 ILE 537 -28.520 -36.276 -2.730 76 HG23 ILE 537 HG23 ILE 537 -28.987 -35.727 -1.121 77 HD13 ILE 537 HD11 ILE 537 -26.711 -33.975 -5.101 78 HD12 ILE 537 HD12 ILE 537 -28.350 -34.344 -5.650 79 HD11 ILE 537 HD13 ILE 537 -27.557 -35.386 -4.465 80 H ARG 538 H ARG 538 -31.938 -33.987 -1.435 81 HA ARG 538 HA ARG 538 -32.069 -36.456 -0.141 82 HB2 ARG 538 HB2 ARG 538 -32.388 -34.261 0.898 83 HB3 ARG 538 HB3 ARG 538 -33.972 -34.170 0.145 84 HG2 ARG 538 HG2 ARG 538 -34.650 -36.193 1.335 85 HG3 ARG 538 HG3 ARG 538 -33.059 -36.277 2.091 86 HD2 ARG 538 HD2 ARG 538 -33.449 -34.017 3.039 87 HD3 ARG 538 HD3 ARG 538 -35.079 -34.059 2.378 88 HE ARG 538 HE ARG 538 -34.077 -35.565 4.666 89 HH21 ARG 538 HH11 ARG 538 -35.621 -36.630 5.944 90 HH22 ARG 538 HH12 ARG 538 -37.248 -36.782 5.368 91 HH11 ARG 538 HH21 ARG 538 -36.664 -35.131 2.347 92 HH12 ARG 538 HH22 ARG 538 -37.841 -35.935 3.332 93 H ASN 539 H ASN 539 -33.777 -35.433 -2.875 94 HA ASN 539 HA ASN 539 -35.937 -37.380 -2.448 95 HB2 ASN 539 HB2 ASN 539 -35.876 -34.766 -3.918 96 HB3 ASN 539 HB3 ASN 539 -37.156 -35.944 -4.172 97 HD21 ASN 539 HD21 ASN 539 -38.885 -34.873 -3.213 98 HD22 ASN 539 HD22 ASN 539 -38.957 -34.423 -1.578 99 H THR 540 H THR 540 -33.153 -37.474 -3.898 100 HA THR 540 HA THR 540 -34.087 -38.665 -6.437 101 HB THR 540 HB THR 540 -32.109 -37.104 -6.546 102 HG1 THR 540 HG1 THR 540 -32.023 -38.608 -8.107 103 HG21 THR 540 HG21 THR 540 -31.403 -38.295 -4.199 104 HG23 THR 540 HG22 THR 540 -30.324 -37.341 -5.218 105 HG22 THR 540 HG23 THR 540 -30.344 -39.100 -5.354 106 H ASN 541 H ASN 541 -33.264 -40.685 -6.944 107 HA ASN 541 HA ASN 541 -32.358 -42.283 -4.680 108 HB2 ASN 541 HB2 ASN 541 -33.136 -43.520 -7.279 109 HB3 ASN 541 HB3 ASN 541 -33.228 -44.180 -5.650 110 HD21 ASN 541 HD21 ASN 541 -35.067 -43.177 -8.166 111 HD22 ASN 541 HD22 ASN 541 -36.462 -42.679 -7.338 112 H PHE 542 H PHE 542 -30.227 -42.738 -4.705 113 HA PHE 542 HA PHE 542 -28.557 -41.431 -6.528 114 HB2 PHE 542 HB2 PHE 542 -26.748 -42.207 -5.344 115 HB3 PHE 542 HB3 PHE 542 -28.034 -42.165 -4.154 116 HD1 PHE 542 HD1 PHE 542 -26.222 -44.479 -6.499 117 HD2 PHE 542 HD2 PHE 542 -28.557 -44.098 -2.901 118 HE1 PHE 542 HE1 PHE 542 -25.772 -46.874 -5.973 119 HE2 PHE 542 HE2 PHE 542 -28.138 -46.498 -2.377 120 HZ PHE 542 HZ PHE 542 -26.744 -47.891 -3.913 121 H GLU 543 H GLU 543 -29.494 -44.847 -6.439 122 HA GLU 543 HA GLU 543 -27.668 -45.679 -8.392 123 HB2 GLU 543 HB2 GLU 543 -28.966 -47.219 -6.958 124 HB3 GLU 543 HB3 GLU 543 -30.408 -46.835 -7.889 125 HG2 GLU 543 HG2 GLU 543 -29.342 -47.700 -9.918 126 HG3 GLU 543 HG3 GLU 543 -27.874 -48.035 -9.022 127 H ASP 544 H ASP 544 -30.865 -44.307 -8.682 128 HA ASP 544 HA ASP 544 -31.195 -44.748 -11.437 129 HB2 ASP 544 HB2 ASP 544 -33.052 -43.219 -11.275 130 HB3 ASP 544 HB3 ASP 544 -33.031 -44.290 -9.881 131 H ALA 545 H ALA 545 -29.999 -41.963 -9.660 132 HA ALA 545 HA ALA 545 -29.352 -40.219 -11.708 133 HB3 ALA 545 HB1 ALA 545 -29.341 -39.768 -9.288 134 HB1 ALA 545 HB2 ALA 545 -27.915 -39.195 -10.155 135 HB2 ALA 545 HB3 ALA 545 -27.829 -40.664 -9.185 136 H LYS 546 H LYS 546 -27.329 -42.870 -10.315 137 HA LYS 546 HA LYS 546 -25.036 -42.362 -11.867 138 HB2 LYS 546 HB2 LYS 546 -25.154 -44.138 -10.136 139 HB3 LYS 546 HB3 LYS 546 -26.151 -45.084 -11.221 140 HG2 LYS 546 HG2 LYS 546 -24.331 -45.196 -12.807 141 HG3 LYS 546 HG3 LYS 546 -23.341 -44.192 -11.759 142 HD2 LYS 546 HD2 LYS 546 -23.441 -45.941 -10.017 143 HD3 LYS 546 HD3 LYS 546 -24.400 -46.946 -11.096 144 HE2 LYS 546 HE2 LYS 546 -21.596 -45.959 -11.683 145 HE3 LYS 546 HE3 LYS 546 -21.999 -47.572 -11.103 146 HZ3 LYS 546 HZ1 LYS 546 -21.949 -47.959 -13.334 147 HZ2 LYS 546 HZ2 LYS 546 -22.426 -46.382 -13.748 148 HZ1 LYS 546 HZ3 LYS 546 -23.577 -47.502 -13.197 149 H VAL 547 H VAL 547 -27.756 -44.548 -12.608 150 HA VAL 547 HA VAL 547 -27.095 -45.134 -15.241 151 HB VAL 547 HB VAL 547 -29.807 -44.867 -13.922 152 HG11 VAL 547 HG11 VAL 547 -29.176 -45.660 -16.715 153 HG13 VAL 547 HG12 VAL 547 -30.294 -44.424 -16.134 154 HG12 VAL 547 HG13 VAL 547 -30.661 -46.133 -15.892 155 HG22 VAL 547 HG21 VAL 547 -28.531 -46.748 -13.077 156 HG21 VAL 547 HG22 VAL 547 -28.121 -47.273 -14.710 157 HG23 VAL 547 HG23 VAL 547 -29.786 -47.390 -14.140 158 H LEU 548 H LEU 548 -28.824 -42.278 -13.987 159 HA LEU 548 HA LEU 548 -29.489 -41.161 -16.479 160 HB2 LEU 548 HB2 LEU 548 -30.440 -40.276 -14.463 161 HB3 LEU 548 HB3 LEU 548 -28.861 -39.928 -13.807 162 HG LEU 548 HG LEU 548 -28.580 -38.116 -15.455 163 HD13 LEU 548 HD11 LEU 548 -30.413 -37.377 -16.825 164 HD12 LEU 548 HD12 LEU 548 -31.459 -38.646 -16.186 165 HD11 LEU 548 HD13 LEU 548 -30.093 -39.066 -17.220 166 HD21 LEU 548 HD21 LEU 548 -31.138 -38.144 -13.901 167 HD23 LEU 548 HD22 LEU 548 -30.280 -36.702 -14.447 168 HD22 LEU 548 HD23 LEU 548 -29.534 -37.782 -13.268 169 H ALA 549 H ALA 549 -26.718 -40.678 -14.293 170 HA ALA 549 HA ALA 549 -25.386 -38.749 -15.756 171 HB1 ALA 549 HB1 ALA 549 -24.557 -39.024 -13.615 172 HB3 ALA 549 HB2 ALA 549 -23.312 -39.829 -14.572 173 HB2 ALA 549 HB3 ALA 549 -24.539 -40.783 -13.737 174 H GLU 550 H GLU 550 -24.966 -42.244 -15.715 175 HA GLU 550 HA GLU 550 -22.929 -42.263 -17.555 176 HB2 GLU 550 HB2 GLU 550 -23.688 -44.165 -16.228 177 HB3 GLU 550 HB3 GLU 550 -25.088 -44.306 -17.292 178 HG2 GLU 550 HG2 GLU 550 -23.586 -44.491 -19.192 179 HG3 GLU 550 HG3 GLU 550 -22.216 -44.431 -18.092 180 H GLN 551 H GLN 551 -26.459 -42.541 -18.248 181 HA GLN 551 HA GLN 551 -26.257 -42.668 -20.997 182 HB2 GLN 551 HB2 GLN 551 -28.317 -41.177 -19.390 183 HB3 GLN 551 HB3 GLN 551 -28.472 -41.638 -21.080 184 HG2 GLN 551 HG2 GLN 551 -27.917 -44.011 -20.116 185 HG3 GLN 551 HG3 GLN 551 -28.549 -43.301 -18.637 186 HE21 GLN 551 HE21 GLN 551 -29.329 -44.816 -21.583 187 HE22 GLN 551 HE22 GLN 551 -31.005 -44.552 -21.564 188 H ALA 552 H ALA 552 -26.452 -39.735 -18.964 189 HA ALA 552 HA ALA 552 -26.530 -37.898 -20.994 190 HB2 ALA 552 HB1 ALA 552 -26.001 -36.256 -19.410 191 HB1 ALA 552 HB2 ALA 552 -25.114 -37.406 -18.408 192 HB3 ALA 552 HB3 ALA 552 -26.869 -37.519 -18.539 193 H LEU 553 H LEU 553 -23.740 -39.398 -19.488 194 HA LEU 553 HA LEU 553 -21.811 -37.758 -20.722 195 HB2 LEU 553 HB2 LEU 553 -21.571 -40.414 -19.383 196 HB3 LEU 553 HB3 LEU 553 -20.201 -39.639 -20.150 197 HG LEU 553 HG LEU 553 -21.876 -38.295 -18.052 198 HD11 LEU 553 HD11 LEU 553 -20.088 -40.508 -17.587 199 HD13 LEU 553 HD12 LEU 553 -21.114 -39.639 -16.446 200 HD12 LEU 553 HD13 LEU 553 -19.480 -39.063 -16.775 201 HD21 LEU 553 HD21 LEU 553 -19.259 -37.631 -19.325 202 HD23 LEU 553 HD22 LEU 553 -19.579 -37.102 -17.673 203 HD22 LEU 553 HD23 LEU 553 -20.647 -36.598 -18.983 204 H ALA 554 H ALA 554 -23.695 -40.146 -22.156 205 HA ALA 554 HA ALA 554 -21.642 -40.663 -24.173 206 HB2 ALA 554 HB1 ALA 554 -23.126 -42.436 -25.016 207 HB1 ALA 554 HB2 ALA 554 -24.367 -41.969 -23.853 208 HB3 ALA 554 HB3 ALA 554 -22.838 -42.640 -23.286 209 H GLN 555 H GLN 555 -24.309 -38.613 -23.697 210 HA GLN 555 HA GLN 555 -25.305 -38.403 -26.328 211 HB2 GLN 555 HB2 GLN 555 -25.290 -36.437 -24.063 212 HB3 GLN 555 HB3 GLN 555 -26.236 -36.277 -25.526 213 HG2 GLN 555 HG2 GLN 555 -26.642 -38.049 -23.175 214 HG3 GLN 555 HG3 GLN 555 -27.813 -37.136 -24.107 215 HE21 GLN 555 HE21 GLN 555 -28.256 -38.024 -26.374 216 HE22 GLN 555 HE22 GLN 555 -28.292 -39.709 -26.578 No H/Q in entry = 216 In of MODEL 1 1 HA PRO 556 HA PRO 556 -21.972 -35.873 -27.853 2 HB2 PRO 556 HB2 PRO 556 -22.645 -35.602 -30.437 3 HB3 PRO 556 HB3 PRO 556 -22.194 -37.207 -29.807 4 HG2 PRO 556 HG2 PRO 556 -25.014 -36.090 -30.212 5 HG3 PRO 556 HG3 PRO 556 -24.375 -37.670 -30.727 6 HD2 PRO 556 HD2 PRO 556 -25.768 -37.353 -28.393 7 HD3 PRO 556 HD3 PRO 556 -24.483 -38.567 -28.584 8 H THR 557 H THR 557 -25.040 -34.916 -27.159 9 HA THR 557 HA THR 557 -24.561 -32.159 -27.992 10 HB THR 557 HB THR 557 -26.251 -34.030 -29.348 11 HG1 THR 557 HG1 THR 557 -25.451 -31.376 -29.626 12 HG23 THR 557 HG21 THR 557 -28.371 -33.085 -29.439 13 HG22 THR 557 HG22 THR 557 -27.864 -31.634 -28.573 14 HG21 THR 557 HG23 THR 557 -28.002 -33.171 -27.717 15 H THR 558 H THR 558 -25.378 -30.641 -26.650 16 HA THR 558 HA THR 558 -25.945 -31.260 -23.972 17 HB THR 558 HB THR 558 -26.280 -28.736 -25.624 18 HG1 THR 558 HG1 THR 558 -24.726 -28.815 -23.349 19 HG22 THR 558 HG21 THR 558 -26.427 -27.788 -23.121 20 HG21 THR 558 HG22 THR 558 -27.304 -29.305 -22.913 21 HG23 THR 558 HG23 THR 558 -27.849 -28.127 -24.108 22 H ASP 559 H ASP 559 -28.123 -30.170 -26.591 23 HA ASP 559 HA ASP 559 -30.430 -30.170 -25.139 24 HB2 ASP 559 HB2 ASP 559 -30.432 -29.375 -27.378 25 HB3 ASP 559 HB3 ASP 559 -30.068 -30.979 -28.001 26 H GLU 560 H GLU 560 -28.949 -32.934 -26.710 27 HA GLU 560 HA GLU 560 -30.960 -34.797 -26.143 28 HB2 GLU 560 HB2 GLU 560 -28.061 -34.987 -26.791 29 HB3 GLU 560 HB3 GLU 560 -28.953 -36.427 -26.323 30 HG2 GLU 560 HG2 GLU 560 -30.424 -36.217 -28.129 31 HG3 GLU 560 HG3 GLU 560 -29.887 -34.577 -28.472 32 H LEU 561 H LEU 561 -28.222 -33.721 -24.295 33 HA LEU 561 HA LEU 561 -28.514 -35.670 -22.212 34 HB2 LEU 561 HB2 LEU 561 -26.445 -35.151 -22.370 35 HB3 LEU 561 HB3 LEU 561 -26.750 -33.705 -23.204 36 HG LEU 561 HG LEU 561 -25.804 -34.187 -20.432 37 HD12 LEU 561 HD11 LEU 561 -24.083 -32.731 -21.387 38 HD11 LEU 561 HD12 LEU 561 -25.031 -32.610 -22.871 39 HD13 LEU 561 HD13 LEU 561 -24.358 -34.164 -22.375 40 HD23 LEU 561 HD21 LEU 561 -25.911 -31.757 -20.142 41 HD22 LEU 561 HD22 LEU 561 -27.521 -32.475 -20.238 42 HD21 LEU 561 HD23 LEU 561 -26.843 -31.633 -21.633 43 HA MET 562 HA MET 562 -30.722 -31.938 -20.166 44 HB2 MET 562 HB2 MET 562 -31.695 -30.776 -22.759 45 HG2 MET 562 HG2 MET 562 -29.197 -30.364 -21.918 46 HE3 MET 562 HE1 MET 562 -30.576 -26.611 -21.411 47 HE2 MET 562 HE2 MET 562 -31.484 -26.669 -19.905 48 HE1 MET 562 HE3 MET 562 -31.989 -27.673 -21.258 49 H MET 562 HN MET 562 -29.648 -32.344 -22.773 50 HB3 MET 562 HB1 MET 562 -32.078 -30.204 -21.146 51 HG3 MET 562 HG1 MET 562 -30.172 -29.068 -22.610 52 H THR 563 H THR 563 -31.917 -33.537 -23.077 53 HA THR 563 HA THR 563 -34.575 -33.819 -22.274 54 HB THR 563 HB THR 563 -32.848 -35.540 -24.023 55 HG1 THR 563 HG1 THR 563 -33.996 -33.227 -24.308 56 HG21 THR 563 HG21 THR 563 -35.757 -35.808 -23.283 57 HG23 THR 563 HG22 THR 563 -34.525 -37.067 -23.381 58 HG22 THR 563 HG23 THR 563 -35.164 -36.341 -24.856 59 H LEU 564 H LEU 564 -31.844 -36.029 -21.734 60 HA LEU 564 HA LEU 564 -33.120 -38.095 -20.396 61 HB2 LEU 564 HB2 LEU 564 -30.407 -36.919 -20.059 62 HB3 LEU 564 HB3 LEU 564 -30.947 -38.245 -19.091 63 HG LEU 564 HG LEU 564 -29.473 -39.094 -20.685 64 HD12 LEU 564 HD11 LEU 564 -32.171 -39.604 -21.912 65 HD11 LEU 564 HD12 LEU 564 -31.513 -40.476 -20.527 66 HD13 LEU 564 HD13 LEU 564 -30.718 -40.585 -22.098 67 HD22 LEU 564 HD21 LEU 564 -29.430 -37.221 -22.079 68 HD21 LEU 564 HD22 LEU 564 -31.072 -37.547 -22.636 69 HD23 LEU 564 HD23 LEU 564 -29.761 -38.656 -23.043 70 H VAL 565 H VAL 565 -31.428 -35.337 -18.986 71 HA VAL 565 HA VAL 565 -32.099 -35.595 -16.322 72 HB VAL 565 HB VAL 565 -31.873 -33.074 -17.956 73 HG13 VAL 565 HG11 VAL 565 -32.976 -32.382 -16.006 74 HG12 VAL 565 HG12 VAL 565 -31.274 -32.019 -15.719 75 HG11 VAL 565 HG13 VAL 565 -32.010 -33.440 -14.976 76 HG21 VAL 565 HG21 VAL 565 -29.858 -34.838 -16.587 77 HG23 VAL 565 HG22 VAL 565 -29.541 -33.107 -16.705 78 HG22 VAL 565 HG23 VAL 565 -29.777 -34.060 -18.170 79 H ASN 566 H ASN 566 -34.046 -33.872 -18.804 80 HA ASN 566 HA ASN 566 -36.117 -33.241 -17.018 81 HB2 ASN 566 HB2 ASN 566 -36.156 -33.454 -20.002 82 HB3 ASN 566 HB3 ASN 566 -37.493 -32.849 -19.036 83 HD21 ASN 566 HD21 ASN 566 -35.984 -31.430 -21.026 84 HD22 ASN 566 HD22 ASN 566 -35.256 -30.096 -20.271 85 H LYS 567 H LYS 567 -35.968 -36.050 -19.269 86 HA LYS 567 HA LYS 567 -38.545 -36.970 -18.588 87 HB2 LYS 567 HB2 LYS 567 -36.265 -38.031 -20.034 88 HB3 LYS 567 HB3 LYS 567 -37.077 -39.272 -19.098 89 HG2 LYS 567 HG2 LYS 567 -38.966 -39.185 -20.374 90 HG3 LYS 567 HG3 LYS 567 -38.791 -37.463 -20.713 91 HD2 LYS 567 HD2 LYS 567 -36.570 -38.460 -21.971 92 HD3 LYS 567 HD3 LYS 567 -37.686 -39.799 -22.180 93 HE2 LYS 567 HE2 LYS 567 -39.349 -38.175 -23.165 94 HE3 LYS 567 HE3 LYS 567 -38.124 -36.922 -23.068 95 HZ3 LYS 567 HZ1 LYS 567 -36.887 -37.883 -24.740 96 HZ2 LYS 567 HZ2 LYS 567 -38.471 -38.206 -25.262 97 HZ1 LYS 567 HZ3 LYS 567 -37.555 -39.426 -24.516 98 H PHE 568 H PHE 568 -35.480 -37.212 -17.006 99 HA PHE 568 HA PHE 568 -36.093 -39.236 -15.130 100 HB2 PHE 568 HB2 PHE 568 -33.858 -38.235 -15.702 101 HB3 PHE 568 HB3 PHE 568 -34.331 -36.829 -14.769 102 HD1 PHE 568 HD1 PHE 568 -32.902 -40.089 -14.683 103 HD2 PHE 568 HD2 PHE 568 -34.931 -37.189 -12.317 104 HE1 PHE 568 HE1 PHE 568 -32.047 -41.167 -12.617 105 HE2 PHE 568 HE2 PHE 568 -34.088 -38.247 -10.261 106 HZ PHE 568 HZ PHE 568 -32.641 -40.240 -10.389 107 H ILE 569 H ILE 569 -36.069 -35.690 -14.776 108 HA ILE 569 HA ILE 569 -37.179 -35.518 -12.278 109 HB ILE 569 HB ILE 569 -36.983 -33.696 -14.606 110 HG12 ILE 569 HG12 ILE 569 -36.125 -33.250 -11.755 111 HG13 ILE 569 HG13 ILE 569 -35.181 -34.236 -12.854 112 HG21 ILE 569 HG21 ILE 569 -38.746 -33.256 -12.245 113 HG23 ILE 569 HG22 ILE 569 -39.107 -33.064 -13.961 114 HG22 ILE 569 HG23 ILE 569 -38.039 -31.918 -13.149 115 HD11 ILE 569 HD11 ILE 569 -35.936 -31.381 -13.526 116 HD13 ILE 569 HD12 ILE 569 -34.671 -32.373 -14.251 117 HD12 ILE 569 HD13 ILE 569 -34.485 -31.773 -12.603 118 H GLU 570 H GLU 570 -38.817 -35.817 -15.348 119 HA GLU 570 HA GLU 570 -41.511 -35.449 -14.555 120 HB2 GLU 570 HB2 GLU 570 -40.198 -37.084 -16.705 121 HB3 GLU 570 HB3 GLU 570 -41.927 -37.096 -16.471 122 HG2 GLU 570 HG2 GLU 570 -41.618 -34.502 -16.723 123 HG3 GLU 570 HG3 GLU 570 -40.160 -35.007 -17.575 124 H GLU 571 H GLU 571 -39.648 -38.413 -15.056 125 HA GLU 571 HA GLU 571 -41.794 -40.002 -14.143 126 HB2 GLU 571 HB2 GLU 571 -39.013 -40.904 -14.809 127 HB3 GLU 571 HB3 GLU 571 -40.498 -41.845 -14.864 128 HG2 GLU 571 HG2 GLU 571 -41.316 -40.196 -16.627 129 HG3 GLU 571 HG3 GLU 571 -39.683 -39.567 -16.676 130 H LYS 572 H LYS 572 -39.034 -38.702 -12.557 131 HA LYS 572 HA LYS 572 -39.115 -40.815 -10.568 132 HB2 LYS 572 HB2 LYS 572 -36.825 -38.979 -11.138 133 HB3 LYS 572 HB3 LYS 572 -36.812 -40.378 -10.093 134 HG2 LYS 572 HG2 LYS 572 -37.541 -40.807 -12.954 135 HG3 LYS 572 HG3 LYS 572 -35.865 -40.425 -12.589 136 HD2 LYS 572 HD2 LYS 572 -36.106 -42.299 -10.796 137 HD3 LYS 572 HD3 LYS 572 -37.492 -42.795 -11.757 138 HE2 LYS 572 HE2 LYS 572 -34.680 -42.458 -12.795 139 HE3 LYS 572 HE3 LYS 572 -35.418 -43.989 -12.365 140 HZ2 LYS 572 HZ1 LYS 572 -35.402 -42.894 -14.824 141 HZ1 LYS 572 HZ2 LYS 572 -36.944 -42.453 -14.263 142 HZ3 LYS 572 HZ3 LYS 572 -36.486 -44.088 -14.300 143 H THR 573 H THR 573 -39.967 -37.528 -10.509 144 HA THR 573 HA THR 573 -40.878 -37.909 -7.900 145 HB THR 573 HB THR 573 -38.816 -37.356 -6.892 146 HG1 THR 573 HG1 THR 573 -40.313 -34.949 -6.939 147 HG23 THR 573 HG21 THR 573 -37.293 -35.649 -7.547 148 HG22 THR 573 HG22 THR 573 -38.511 -34.809 -8.510 149 HG21 THR 573 HG23 THR 573 -37.851 -36.347 -9.070 No H/Q in entry = 149 In of MODEL 1 1 H1 MET 1 H2 MET 1 44.080 -31.702 -71.319 2 H2 MET 1 H1 MET 1 44.962 -33.145 -71.185 3 H3 MET 1 H3 MET 1 43.384 -33.172 -71.813 4 HA MET 1 HA MET 1 42.596 -33.547 -69.790 5 HB2 MET 1 HB2 MET 1 45.417 -32.971 -68.823 6 HB3 MET 1 HB3 MET 1 44.150 -33.747 -67.874 7 HG2 MET 1 HG2 MET 1 44.676 -34.990 -70.520 8 HG3 MET 1 HG3 MET 1 45.994 -35.124 -69.358 9 HE2 MET 1 HE1 MET 1 45.126 -37.847 -67.133 10 HE1 MET 1 HE2 MET 1 46.030 -36.339 -67.274 11 HE3 MET 1 HE3 MET 1 46.098 -37.533 -68.569 12 H ILE 2 H ILE 2 41.491 -31.421 -70.307 13 HA ILE 2 HA ILE 2 42.345 -29.210 -68.487 14 HB ILE 2 HB ILE 2 40.558 -27.934 -69.886 15 HG12 ILE 2 HG12 ILE 2 41.159 -30.227 -71.783 16 HG13 ILE 2 HG13 ILE 2 39.638 -30.049 -70.905 17 HG21 ILE 2 HG21 ILE 2 43.146 -28.919 -71.127 18 HG23 ILE 2 HG22 ILE 2 42.981 -27.547 -70.034 19 HG22 ILE 2 HG23 ILE 2 42.253 -27.487 -71.639 20 HD13 ILE 2 HD11 ILE 2 38.939 -28.253 -72.206 21 HD12 ILE 2 HD12 ILE 2 39.944 -29.076 -73.397 22 HD11 ILE 2 HD13 ILE 2 40.583 -27.694 -72.508 23 H SER 3 H SER 3 41.045 -28.820 -66.700 24 HA SER 3 HA SER 3 38.262 -29.957 -66.682 25 HB2 SER 3 HB2 SER 3 38.572 -30.915 -64.587 26 HB3 SER 3 HB3 SER 3 40.156 -31.174 -65.308 27 HG SER 3 HG SER 3 40.285 -30.245 -63.214 28 H GLY 4 H GLY 4 36.700 -28.666 -65.743 29 HA3 GLY 4 HA2 GLY 4 37.570 -26.035 -64.589 30 HA2 GLY 4 HA3 GLY 4 36.185 -26.179 -65.676 31 H ILE 5 H ILE 5 34.898 -25.277 -63.819 32 HA ILE 5 HA ILE 5 34.582 -27.114 -61.509 33 HB ILE 5 HB ILE 5 33.363 -24.413 -62.111 34 HG12 ILE 5 HG12 ILE 5 35.808 -24.354 -61.761 35 HG13 ILE 5 HG13 ILE 5 34.973 -23.632 -60.386 36 HG22 ILE 5 HG21 ILE 5 32.927 -24.573 -59.541 37 HG21 ILE 5 HG22 ILE 5 33.145 -26.304 -59.759 38 HG23 ILE 5 HG23 ILE 5 31.858 -25.459 -60.625 39 HD12 ILE 5 HD11 ILE 5 36.471 -26.225 -60.545 40 HD11 ILE 5 HD12 ILE 5 35.106 -26.126 -59.435 41 HD13 ILE 5 HD13 ILE 5 36.459 -25.014 -59.267 42 H LEU 6 H LEU 6 33.060 -26.568 -64.539 43 HA LEU 6 HA LEU 6 31.024 -27.298 -65.416 44 HB2 LEU 6 HB2 LEU 6 31.991 -29.485 -64.735 45 HB3 LEU 6 HB3 LEU 6 31.256 -29.300 -63.147 46 HG LEU 6 HG LEU 6 29.009 -29.233 -64.218 47 HD12 LEU 6 HD11 LEU 6 29.082 -30.186 -66.683 48 HD11 LEU 6 HD12 LEU 6 30.686 -29.455 -66.702 49 HD13 LEU 6 HD13 LEU 6 29.260 -28.461 -66.394 50 HD23 LEU 6 HD21 LEU 6 30.489 -31.731 -65.145 51 HD22 LEU 6 HD22 LEU 6 28.841 -31.623 -64.535 52 HD21 LEU 6 HD23 LEU 6 30.197 -31.425 -63.435 53 H ALA 7 H ALA 7 29.488 -25.737 -65.090 54 HA ALA 7 HA ALA 7 28.292 -25.396 -62.383 55 HB1 ALA 7 HB1 ALA 7 28.981 -23.382 -63.645 56 HB3 ALA 7 HB2 ALA 7 27.240 -23.401 -63.369 57 HB2 ALA 7 HB3 ALA 7 27.886 -23.834 -64.951 58 H SER 8 H SER 8 27.553 -26.682 -65.554 59 HA SER 8 HA SER 8 24.919 -27.594 -64.498 60 HB2 SER 8 HB2 SER 8 24.072 -25.859 -65.749 61 HB3 SER 8 HB3 SER 8 25.411 -25.872 -66.897 62 HG SER 8 HG SER 8 23.029 -27.081 -67.068 No H/Q in entry = 62 In of MODEL 1 1 HA PRO 9 HA PRO 9 26.759 -31.206 -66.523 2 HB2 PRO 9 HB2 PRO 9 25.026 -33.093 -65.694 3 HB3 PRO 9 HB3 PRO 9 26.143 -32.311 -64.557 4 HG2 PRO 9 HG2 PRO 9 23.248 -31.738 -65.048 5 HG3 PRO 9 HG3 PRO 9 24.116 -31.884 -63.506 6 HD2 PRO 9 HD2 PRO 9 23.540 -29.462 -64.689 7 HD3 PRO 9 HD3 PRO 9 24.928 -29.716 -63.607 8 H GLY 10 H GLY 10 26.402 -32.229 -68.512 9 HA3 GLY 10 HA2 GLY 10 24.049 -33.009 -69.737 10 HA2 GLY 10 HA3 GLY 10 24.164 -31.290 -70.127 11 H ILE 11 H ILE 11 24.434 -32.044 -72.408 12 HA ILE 11 HA ILE 11 27.300 -32.355 -73.024 13 HB ILE 11 HB ILE 11 25.382 -34.243 -74.403 14 HG12 ILE 11 HG12 ILE 11 25.459 -34.671 -71.885 15 HG13 ILE 11 HG13 ILE 11 25.983 -36.013 -72.898 16 HG22 ILE 11 HG21 ILE 11 27.663 -35.447 -74.739 17 HG21 ILE 11 HG22 ILE 11 28.396 -33.956 -74.152 18 HG23 ILE 11 HG23 ILE 11 27.413 -33.944 -75.616 19 HD13 ILE 11 HD11 ILE 11 28.114 -35.964 -72.091 20 HD12 ILE 11 HD12 ILE 11 27.469 -34.971 -70.784 21 HD11 ILE 11 HD13 ILE 11 28.203 -34.208 -72.190 22 H ALA 12 H ALA 12 27.779 -31.578 -75.194 23 HA ALA 12 HA ALA 12 25.516 -30.699 -76.859 24 HB3 ALA 12 HB1 ALA 12 25.740 -28.901 -75.156 25 HB2 ALA 12 HB2 ALA 12 26.082 -28.328 -76.792 26 HB1 ALA 12 HB3 ALA 12 27.408 -28.651 -75.674 27 H PHE 13 H PHE 13 26.161 -29.975 -78.955 28 HA PHE 13 HA PHE 13 29.052 -30.339 -79.663 29 HB2 PHE 13 HB2 PHE 13 26.804 -31.284 -81.460 30 HB3 PHE 13 HB3 PHE 13 28.516 -31.697 -81.537 31 HD1 PHE 13 HD1 PHE 13 25.522 -31.991 -79.281 32 HD2 PHE 13 HD2 PHE 13 29.251 -33.717 -80.578 33 HE1 PHE 13 HE1 PHE 13 25.070 -34.013 -77.904 34 HE2 PHE 13 HE2 PHE 13 28.800 -35.732 -79.196 35 HZ PHE 13 HZ PHE 13 26.710 -35.882 -77.862 36 H GLY 14 H GLY 14 29.743 -28.474 -80.833 37 HA3 GLY 14 HA2 GLY 14 28.165 -27.300 -82.891 38 HA2 GLY 14 HA3 GLY 14 27.927 -26.368 -81.415 39 H LYS 15 H LYS 15 28.975 -24.921 -83.268 40 HA LYS 15 HA LYS 15 31.898 -25.060 -83.434 41 HB2 LYS 15 HB2 LYS 15 29.909 -22.957 -84.320 42 HB3 LYS 15 HB3 LYS 15 31.647 -22.844 -84.603 43 HG2 LYS 15 HG2 LYS 15 31.584 -24.989 -85.825 44 HG3 LYS 15 HG3 LYS 15 29.847 -25.091 -85.547 45 HD2 LYS 15 HD2 LYS 15 29.512 -22.995 -86.801 46 HD3 LYS 15 HD3 LYS 15 31.250 -22.884 -87.085 47 HE2 LYS 15 HE2 LYS 15 31.165 -25.091 -88.250 48 HE3 LYS 15 HE3 LYS 15 29.414 -25.105 -88.038 49 HZ2 LYS 15 HZ1 LYS 15 30.982 -23.067 -89.523 50 HZ1 LYS 15 HZ2 LYS 15 29.301 -23.020 -89.283 51 HZ3 LYS 15 HZ3 LYS 15 29.997 -24.264 -90.210 52 H ALA 16 H ALA 16 33.305 -23.292 -82.643 53 HA ALA 16 HA ALA 16 32.344 -22.325 -79.974 54 HB1 ALA 16 HB1 ALA 16 35.235 -22.174 -80.715 55 HB2 ALA 16 HB2 ALA 16 34.535 -23.781 -80.531 56 HB3 ALA 16 HB3 ALA 16 34.477 -22.638 -79.190 57 H LEU 17 H LEU 17 32.048 -20.214 -79.613 58 HA LEU 17 HA LEU 17 32.936 -18.261 -81.685 59 HB2 LEU 17 HB2 LEU 17 30.515 -18.273 -81.069 60 HB3 LEU 17 HB3 LEU 17 30.958 -17.943 -79.397 61 HG LEU 17 HG LEU 17 32.021 -15.817 -80.112 62 HD12 LEU 17 HD11 LEU 17 31.275 -15.073 -82.508 63 HD11 LEU 17 HD12 LEU 17 31.114 -16.803 -82.815 64 HD13 LEU 17 HD13 LEU 17 32.675 -16.124 -82.356 65 HD22 LEU 17 HD21 LEU 17 29.675 -15.817 -79.376 66 HD21 LEU 17 HD22 LEU 17 29.144 -16.196 -81.014 67 HD23 LEU 17 HD23 LEU 17 29.903 -14.641 -80.670 68 H LEU 18 H LEU 18 34.504 -16.725 -81.125 69 HA LEU 18 HA LEU 18 35.478 -16.754 -78.287 70 HB2 LEU 18 HB2 LEU 18 37.073 -17.732 -79.909 71 HB3 LEU 18 HB3 LEU 18 37.029 -16.240 -80.842 72 HG LEU 18 HG LEU 18 37.935 -14.996 -78.915 73 HD12 LEU 18 HD11 LEU 18 38.926 -16.576 -77.057 74 HD11 LEU 18 HD12 LEU 18 37.662 -17.686 -77.588 75 HD13 LEU 18 HD13 LEU 18 37.240 -16.087 -76.968 76 HD22 LEU 18 HD21 LEU 18 40.144 -15.648 -79.276 77 HD21 LEU 18 HD22 LEU 18 39.359 -16.411 -80.653 78 HD23 LEU 18 HD23 LEU 18 39.762 -17.367 -79.228 79 H LEU 19 H LEU 19 35.171 -14.909 -77.247 80 HA LEU 19 HA LEU 19 34.492 -12.438 -78.728 81 HB2 LEU 19 HB2 LEU 19 34.737 -12.776 -75.729 82 HB3 LEU 19 HB3 LEU 19 33.880 -11.504 -76.600 83 HG LEU 19 HG LEU 19 33.150 -14.437 -76.424 84 HD12 LEU 19 HD11 LEU 19 31.486 -11.987 -75.817 85 HD11 LEU 19 HD12 LEU 19 32.499 -12.763 -74.601 86 HD13 LEU 19 HD13 LEU 19 31.173 -13.657 -75.341 87 HD22 LEU 19 HD21 LEU 19 32.685 -13.939 -78.686 88 HD21 LEU 19 HD22 LEU 19 32.205 -12.280 -78.316 89 HD23 LEU 19 HD23 LEU 19 31.152 -13.624 -77.873 90 H LYS 20 H LYS 20 36.300 -11.484 -79.588 91 HA LYS 20 HA LYS 20 38.756 -11.190 -77.916 92 HB2 LYS 20 HB2 LYS 20 38.162 -10.565 -80.827 93 HB3 LYS 20 HB3 LYS 20 39.715 -10.285 -80.051 94 HG2 LYS 20 HG2 LYS 20 40.094 -12.604 -79.719 95 HG3 LYS 20 HG3 LYS 20 38.413 -13.012 -80.070 96 HD2 LYS 20 HD2 LYS 20 38.660 -12.673 -82.369 97 HD3 LYS 20 HD3 LYS 20 40.048 -11.605 -82.181 98 HE2 LYS 20 HE2 LYS 20 41.334 -13.659 -81.330 99 HE3 LYS 20 HE3 LYS 20 39.975 -14.614 -81.912 100 HZ2 LYS 20 HZ1 LYS 20 41.772 -14.399 -83.547 101 HZ1 LYS 20 HZ2 LYS 20 41.528 -12.719 -83.579 102 HZ3 LYS 20 HZ3 LYS 20 40.302 -13.759 -84.109 103 H GLU 21 H GLU 21 39.307 -9.252 -77.034 104 HA GLU 21 HA GLU 21 37.875 -6.827 -77.930 105 HB2 GLU 21 HB2 GLU 21 38.505 -7.434 -75.038 106 HB3 GLU 21 HB3 GLU 21 37.516 -6.119 -75.676 107 HG2 GLU 21 HG2 GLU 21 36.071 -8.023 -76.714 108 HG3 GLU 21 HG3 GLU 21 36.879 -9.059 -75.541 109 H ASP 22 H ASP 22 39.185 -5.161 -78.359 110 HA ASP 22 HA ASP 22 42.033 -5.444 -77.999 111 HB2 ASP 22 HB2 ASP 22 40.557 -2.989 -78.949 112 HB3 ASP 22 HB3 ASP 22 42.223 -3.452 -79.290 113 H GLU 23 H GLU 23 43.388 -4.079 -76.788 114 HA GLU 23 HA GLU 23 42.359 -3.317 -74.237 115 HB2 GLU 23 HB2 GLU 23 45.037 -2.764 -75.543 116 HB3 GLU 23 HB3 GLU 23 44.660 -2.461 -73.846 117 HG2 GLU 23 HG2 GLU 23 45.622 -4.588 -73.743 118 HG3 GLU 23 HG3 GLU 23 43.900 -4.969 -73.835 119 H ILE 24 H ILE 24 41.834 -1.341 -73.429 120 HA ILE 24 HA ILE 24 41.280 0.767 -75.334 121 HB ILE 24 HB ILE 24 40.503 1.947 -73.171 122 HG12 ILE 24 HG12 ILE 24 40.745 -0.885 -72.114 123 HG13 ILE 24 HG13 ILE 24 41.894 0.396 -71.714 124 HG21 ILE 24 HG21 ILE 24 39.323 -0.640 -74.210 125 HG23 ILE 24 HG22 ILE 24 38.883 1.006 -74.665 126 HG22 ILE 24 HG23 ILE 24 38.480 0.398 -73.059 127 HD13 ILE 24 HD11 ILE 24 40.227 0.293 -69.954 128 HD12 ILE 24 HD12 ILE 24 38.918 0.384 -71.131 129 HD11 ILE 24 HD13 ILE 24 39.972 1.777 -70.875 130 H VAL 25 H VAL 25 42.640 2.346 -75.853 131 HA VAL 25 HA VAL 25 45.070 2.742 -74.284 132 HB VAL 25 HB VAL 25 45.163 2.585 -76.765 133 HG12 VAL 25 HG11 VAL 25 43.864 5.315 -76.768 134 HG11 VAL 25 HG12 VAL 25 42.938 3.834 -77.026 135 HG13 VAL 25 HG13 VAL 25 44.222 4.279 -78.151 136 HG23 VAL 25 HG21 VAL 25 45.942 5.304 -75.660 137 HG22 VAL 25 HG22 VAL 25 46.656 4.507 -77.062 138 HG21 VAL 25 HG23 VAL 25 46.882 3.825 -75.449 139 H ILE 26 H ILE 26 45.433 4.422 -72.964 140 HA ILE 26 HA ILE 26 43.424 6.596 -72.916 141 HB ILE 26 HB ILE 26 45.055 5.471 -70.623 142 HG12 ILE 26 HG12 ILE 26 42.057 5.402 -71.064 143 HG13 ILE 26 HG13 ILE 26 43.125 4.072 -71.521 144 HG22 ILE 26 HG21 ILE 26 43.430 6.967 -69.312 145 HG21 ILE 26 HG22 ILE 26 43.084 7.752 -70.855 146 HG23 ILE 26 HG23 ILE 26 44.719 7.790 -70.192 147 HD13 ILE 26 HD11 ILE 26 42.213 3.641 -69.298 148 HD12 ILE 26 HD12 ILE 26 42.771 5.214 -68.735 149 HD11 ILE 26 HD13 ILE 26 43.942 3.967 -69.165 150 H ASP 27 H ASP 27 44.162 8.562 -73.385 151 HA ASP 27 HA ASP 27 47.043 8.992 -73.614 152 HB2 ASP 27 HB2 ASP 27 44.944 11.050 -74.237 153 HB3 ASP 27 HB3 ASP 27 46.533 10.829 -74.970 154 H ARG 28 H ARG 28 48.174 9.845 -72.004 155 HA ARG 28 HA ARG 28 46.782 11.248 -69.839 156 HB2 ARG 28 HB2 ARG 28 49.507 10.013 -70.142 157 HB3 ARG 28 HB3 ARG 28 49.179 11.155 -68.839 158 HG2 ARG 28 HG2 ARG 28 48.248 9.481 -67.661 159 HG3 ARG 28 HG3 ARG 28 46.990 9.360 -68.894 160 HD2 ARG 28 HD2 ARG 28 48.928 8.029 -70.176 161 HD3 ARG 28 HD3 ARG 28 49.452 7.716 -68.525 162 HE ARG 28 HE ARG 28 47.102 6.642 -69.816 163 HH21 ARG 28 HH11 ARG 28 45.875 5.194 -68.568 164 HH22 ARG 28 HH12 ARG 28 46.133 5.101 -66.857 165 HH11 ARG 28 HH21 ARG 28 48.619 7.517 -66.832 166 HH12 ARG 28 HH22 ARG 28 47.687 6.416 -65.875 167 H LYS 29 H LYS 29 47.623 12.273 -72.671 168 HA LYS 29 HA LYS 29 49.488 14.388 -72.139 169 HB2 LYS 29 HB2 LYS 29 47.545 14.075 -74.441 170 HB3 LYS 29 HB3 LYS 29 48.943 15.151 -74.391 171 HG2 LYS 29 HG2 LYS 29 50.199 12.862 -73.799 172 HG3 LYS 29 HG3 LYS 29 48.843 12.185 -74.700 173 HD2 LYS 29 HD2 LYS 29 49.624 14.357 -76.250 174 HD3 LYS 29 HD3 LYS 29 51.152 13.691 -75.679 175 HE2 LYS 29 HE2 LYS 29 50.345 11.416 -76.414 176 HE3 LYS 29 HE3 LYS 29 48.960 12.211 -77.158 177 HZ1 LYS 29 HZ1 LYS 29 51.088 13.646 -78.053 178 HZ3 LYS 29 HZ2 LYS 29 50.265 12.442 -78.926 179 HZ2 LYS 29 HZ3 LYS 29 51.674 12.054 -78.061 180 H LYS 30 H LYS 30 49.059 16.185 -71.047 181 HA LYS 30 HA LYS 30 46.505 16.933 -70.137 182 HB2 LYS 30 HB2 LYS 30 48.797 18.862 -70.488 183 HB3 LYS 30 HB3 LYS 30 47.543 18.866 -69.247 184 HG2 LYS 30 HG2 LYS 30 48.644 16.383 -68.887 185 HG3 LYS 30 HG3 LYS 30 50.056 17.322 -69.378 186 HD2 LYS 30 HD2 LYS 30 49.271 19.069 -67.654 187 HD3 LYS 30 HD3 LYS 30 48.220 17.796 -67.029 188 HE2 LYS 30 HE2 LYS 30 50.273 16.323 -66.858 189 HE3 LYS 30 HE3 LYS 30 51.240 17.750 -67.227 190 HZ2 LYS 30 HZ1 LYS 30 50.643 17.071 -64.767 191 HZ1 LYS 30 HZ2 LYS 30 49.249 17.980 -65.103 192 HZ3 LYS 30 HZ3 LYS 30 50.785 18.692 -65.233 193 H ILE 31 H ILE 31 45.058 18.511 -70.800 194 HA ILE 31 HA ILE 31 45.316 19.315 -73.626 195 HB ILE 31 HB ILE 31 42.939 19.455 -73.697 196 HG12 ILE 31 HG12 ILE 31 43.038 19.140 -70.680 197 HG13 ILE 31 HG13 ILE 31 42.598 20.608 -71.556 198 HG23 ILE 31 HG21 ILE 31 42.877 17.207 -73.821 199 HG22 ILE 31 HG22 ILE 31 42.660 17.140 -72.070 200 HG21 ILE 31 HG23 ILE 31 44.284 17.092 -72.758 201 HD12 ILE 31 HD11 ILE 31 40.639 19.208 -70.725 202 HD11 ILE 31 HD12 ILE 31 41.121 17.988 -71.903 203 HD13 ILE 31 HD13 ILE 31 40.620 19.589 -72.447 204 H SER 32 H SER 32 44.831 21.449 -74.260 205 HA SER 32 HA SER 32 45.608 23.450 -72.317 206 HB2 SER 32 HB2 SER 32 46.506 24.108 -74.308 207 HB3 SER 32 HB3 SER 32 45.248 23.311 -75.254 208 HG SER 32 HG SER 32 44.436 25.235 -75.435 209 H ALA 33 H ALA 33 44.330 25.557 -72.320 210 HA ALA 33 HA ALA 33 41.747 25.112 -71.194 211 HB2 ALA 33 HB1 ALA 33 42.551 27.735 -72.461 212 HB1 ALA 33 HB2 ALA 33 43.257 27.188 -70.939 213 HB3 ALA 33 HB3 ALA 33 41.520 27.462 -71.054 214 H ASP 34 H ASP 34 42.612 26.376 -74.447 215 HA ASP 34 HA ASP 34 39.973 26.669 -75.406 216 HB2 ASP 34 HB2 ASP 34 42.625 26.121 -76.712 217 HB3 ASP 34 HB3 ASP 34 41.167 25.961 -77.696 218 H GLN 35 H GLN 35 41.885 23.768 -74.934 219 HA GLN 35 HA GLN 35 40.023 22.070 -76.421 220 HB2 GLN 35 HB2 GLN 35 42.486 21.619 -74.760 221 HB3 GLN 35 HB3 GLN 35 41.487 20.250 -75.261 222 HG2 GLN 35 HG2 GLN 35 41.808 20.785 -77.585 223 HG3 GLN 35 HG3 GLN 35 42.589 22.316 -77.185 224 HE21 GLN 35 HE21 GLN 35 44.016 20.549 -78.782 225 HE22 GLN 35 HE22 GLN 35 45.285 19.848 -77.896 226 H VAL 36 H VAL 36 40.033 23.429 -73.283 227 HA VAL 36 HA VAL 36 38.893 21.243 -71.814 228 HB VAL 36 HB VAL 36 38.766 24.253 -71.472 229 HG12 VAL 36 HG11 VAL 36 37.813 23.708 -69.186 230 HG11 VAL 36 HG12 VAL 36 37.483 22.082 -69.786 231 HG13 VAL 36 HG13 VAL 36 36.691 23.476 -70.524 232 HG22 VAL 36 HG21 VAL 36 40.305 23.875 -69.691 233 HG21 VAL 36 HG22 VAL 36 40.877 22.865 -71.017 234 HG23 VAL 36 HG23 VAL 36 39.986 22.140 -69.679 235 H ASP 37 H ASP 37 37.330 24.011 -73.449 236 HA ASP 37 HA ASP 37 34.671 23.128 -73.043 237 HB2 ASP 37 HB2 ASP 37 35.899 24.826 -75.224 238 HB3 ASP 37 HB3 ASP 37 34.161 24.568 -75.066 239 H GLN 38 H GLN 38 36.966 22.401 -75.666 240 HA GLN 38 HA GLN 38 35.026 20.974 -77.250 241 HB2 GLN 38 HB2 GLN 38 38.042 20.718 -77.222 242 HB3 GLN 38 HB3 GLN 38 36.977 20.043 -78.453 243 HG2 GLN 38 HG2 GLN 38 36.097 22.549 -78.615 244 HG3 GLN 38 HG3 GLN 38 37.677 22.915 -77.910 245 HE21 GLN 38 HE21 GLN 38 36.449 23.180 -80.782 246 HE22 GLN 38 HE22 GLN 38 37.655 22.523 -81.780 247 H GLU 39 H GLU 39 37.342 19.883 -74.768 248 HA GLU 39 HA GLU 39 36.841 17.092 -75.198 249 HB2 GLU 39 HB2 GLU 39 37.846 18.612 -72.789 250 HB3 GLU 39 HB3 GLU 39 37.733 16.850 -72.838 251 HG2 GLU 39 HG2 GLU 39 39.206 18.464 -74.933 252 HG3 GLU 39 HG3 GLU 39 39.995 17.805 -73.509 253 H VAL 40 H VAL 40 35.261 19.488 -73.063 254 HA VAL 40 HA VAL 40 33.587 17.611 -71.722 255 HB VAL 40 HB VAL 40 33.212 20.544 -72.405 256 HG12 VAL 40 HG11 VAL 40 31.489 20.234 -70.386 257 HG11 VAL 40 HG12 VAL 40 31.393 18.589 -71.016 258 HG13 VAL 40 HG13 VAL 40 30.988 19.957 -72.053 259 HG22 VAL 40 HG21 VAL 40 33.907 20.916 -70.142 260 HG21 VAL 40 HG22 VAL 40 35.044 19.746 -70.807 261 HG23 VAL 40 HG23 VAL 40 33.750 19.209 -69.736 262 H GLU 41 H GLU 41 33.084 19.498 -74.712 263 HA GLU 41 HA GLU 41 30.485 18.493 -75.305 264 HB2 GLU 41 HB2 GLU 41 31.565 20.415 -76.478 265 HB3 GLU 41 HB3 GLU 41 32.660 19.285 -77.272 266 HG2 GLU 41 HG2 GLU 41 30.815 19.781 -78.781 267 HG3 GLU 41 HG3 GLU 41 30.660 18.111 -78.236 268 H ARG 42 H ARG 42 33.713 17.208 -76.130 269 HA ARG 42 HA ARG 42 32.774 15.049 -77.750 270 HB2 ARG 42 HB2 ARG 42 35.251 15.288 -76.017 271 HB3 ARG 42 HB3 ARG 42 34.934 13.897 -77.052 272 HG2 ARG 42 HG2 ARG 42 34.743 15.455 -79.003 273 HG3 ARG 42 HG3 ARG 42 35.217 16.783 -77.948 274 HD2 ARG 42 HD2 ARG 42 37.360 15.724 -77.491 275 HD3 ARG 42 HD3 ARG 42 36.882 14.287 -78.389 276 HE ARG 42 HE ARG 42 36.646 16.359 -80.235 277 HH21 ARG 42 HH11 ARG 42 38.353 16.941 -81.605 278 HH22 ARG 42 HH12 ARG 42 39.982 16.614 -81.125 279 HH11 ARG 42 HH21 ARG 42 39.087 15.159 -78.109 280 HH12 ARG 42 HH22 ARG 42 40.399 15.609 -79.147 281 H PHE 43 H PHE 43 33.350 15.305 -74.258 282 HA PHE 43 HA PHE 43 32.622 12.628 -73.586 283 HB2 PHE 43 HB2 PHE 43 33.714 14.250 -72.013 284 HB3 PHE 43 HB3 PHE 43 32.196 15.144 -71.934 285 HD1 PHE 43 HD1 PHE 43 33.590 11.694 -71.452 286 HD2 PHE 43 HD2 PHE 43 30.583 14.570 -70.341 287 HE1 PHE 43 HE1 PHE 43 32.772 10.162 -69.679 288 HE2 PHE 43 HE2 PHE 43 29.764 13.029 -68.568 289 HZ PHE 43 HZ PHE 43 30.857 10.820 -68.241 290 H LEU 44 H LEU 44 30.679 15.635 -73.667 291 HA LEU 44 HA LEU 44 28.194 14.397 -73.023 292 HB2 LEU 44 HB2 LEU 44 28.532 16.834 -72.929 293 HB3 LEU 44 HB3 LEU 44 28.782 16.880 -74.671 294 HG LEU 44 HG LEU 44 26.458 16.188 -75.056 295 HD12 LEU 44 HD11 LEU 44 24.945 16.160 -72.920 296 HD11 LEU 44 HD12 LEU 44 26.441 15.833 -72.056 297 HD13 LEU 44 HD13 LEU 44 25.890 14.719 -73.303 298 HD21 LEU 44 HD21 LEU 44 26.718 18.431 -73.033 299 HD23 LEU 44 HD22 LEU 44 25.299 18.157 -74.045 300 HD22 LEU 44 HD23 LEU 44 26.844 18.582 -74.785 301 H SER 45 H SER 45 29.746 15.068 -76.175 302 HA SER 45 HA SER 45 27.603 14.006 -77.764 303 HB2 SER 45 HB2 SER 45 29.187 13.948 -79.578 304 HB3 SER 45 HB3 SER 45 29.500 15.396 -78.631 305 HG SER 45 HG SER 45 30.968 13.015 -78.839 306 H GLY 46 H GLY 46 30.550 12.504 -76.429 307 HA3 GLY 46 HA2 GLY 46 30.016 9.884 -77.538 308 HA2 GLY 46 HA3 GLY 46 31.133 10.228 -76.213 309 H ARG 47 H ARG 47 29.301 11.482 -74.458 310 HA ARG 47 HA ARG 47 28.114 9.205 -73.170 311 HB2 ARG 47 HB2 ARG 47 27.981 12.196 -72.803 312 HB3 ARG 47 HB3 ARG 47 26.923 11.138 -71.869 313 HG2 ARG 47 HG2 ARG 47 29.946 11.044 -71.948 314 HG3 ARG 47 HG3 ARG 47 28.949 11.568 -70.587 315 HD2 ARG 47 HD2 ARG 47 27.879 9.153 -70.948 316 HD3 ARG 47 HD3 ARG 47 29.445 8.808 -71.646 317 HE ARG 47 HE ARG 47 30.324 9.327 -69.351 318 HH21 ARG 47 HH11 ARG 47 30.020 9.344 -67.164 319 HH22 ARG 47 HH12 ARG 47 28.423 9.502 -66.519 320 HH11 ARG 47 HH21 ARG 47 26.901 9.699 -69.622 321 HH12 ARG 47 HH22 ARG 47 26.661 9.710 -67.911 322 H ALA 48 H ALA 48 26.984 11.643 -75.417 323 HA ALA 48 HA ALA 48 24.184 11.225 -75.147 324 HB2 ALA 48 HB1 ALA 48 25.355 13.090 -76.487 325 HB3 ALA 48 HB2 ALA 48 23.981 12.328 -77.287 326 HB1 ALA 48 HB3 ALA 48 25.624 11.886 -77.746 327 H LYS 49 H LYS 49 26.619 9.527 -77.128 328 HA LYS 49 HA LYS 49 24.722 7.838 -78.456 329 HB2 LYS 49 HB2 LYS 49 27.636 7.416 -77.790 330 HB3 LYS 49 HB3 LYS 49 26.695 6.327 -78.807 331 HG2 LYS 49 HG2 LYS 49 26.915 9.293 -79.383 332 HG3 LYS 49 HG3 LYS 49 28.080 8.142 -80.025 333 HD2 LYS 49 HD2 LYS 49 26.029 6.891 -81.023 334 HD3 LYS 49 HD3 LYS 49 25.114 8.346 -80.653 335 HE2 LYS 49 HE2 LYS 49 26.681 9.650 -82.091 336 HE3 LYS 49 HE3 LYS 49 27.509 8.149 -82.504 337 HZ1 LYS 49 HZ1 LYS 49 24.614 8.574 -82.930 338 HZ3 LYS 49 HZ2 LYS 49 25.582 7.318 -83.544 339 HZ2 LYS 49 HZ3 LYS 49 25.788 8.904 -84.111 340 H ALA 50 H ALA 50 27.041 6.673 -75.954 341 HA ALA 50 HA ALA 50 25.853 4.390 -75.174 342 HB1 ALA 50 HB1 ALA 50 26.845 6.466 -73.202 343 HB2 ALA 50 HB2 ALA 50 27.867 5.332 -74.077 344 HB3 ALA 50 HB3 ALA 50 26.700 4.738 -72.900 345 H SER 51 H SER 51 24.556 7.592 -74.352 346 HA SER 51 HA SER 51 22.665 6.711 -72.421 347 HB2 SER 51 HB2 SER 51 21.665 8.798 -72.658 348 HB3 SER 51 HB3 SER 51 23.255 9.138 -73.337 349 HG SER 51 HG SER 51 22.432 9.092 -75.332 350 H ALA 52 H ALA 52 22.200 7.249 -75.910 351 HA ALA 52 HA ALA 52 19.634 5.964 -75.973 352 HB2 ALA 52 HB1 ALA 52 20.214 7.567 -77.673 353 HB3 ALA 52 HB2 ALA 52 19.988 6.004 -78.460 354 HB1 ALA 52 HB3 ALA 52 21.617 6.611 -78.160 355 H GLN 53 H GLN 53 22.910 4.737 -76.723 356 HA GLN 53 HA GLN 53 21.957 2.199 -77.717 357 HB2 GLN 53 HB2 GLN 53 24.644 2.951 -76.544 358 HB3 GLN 53 HB3 GLN 53 24.296 1.395 -77.288 359 HG2 GLN 53 HG2 GLN 53 23.753 2.479 -79.407 360 HG3 GLN 53 HG3 GLN 53 23.968 4.071 -78.672 361 HE21 GLN 53 HE21 GLN 53 25.558 1.890 -80.610 362 HE22 GLN 53 HE22 GLN 53 27.160 2.292 -80.236 363 H LEU 54 H LEU 54 22.945 3.274 -74.459 364 HA LEU 54 HA LEU 54 22.736 0.696 -73.234 365 HB2 LEU 54 HB2 LEU 54 22.736 3.514 -72.272 366 HB3 LEU 54 HB3 LEU 54 22.050 2.312 -71.183 367 HG LEU 54 HG LEU 54 24.100 1.053 -71.148 368 HD12 LEU 54 HD11 LEU 54 26.054 2.182 -72.579 369 HD11 LEU 54 HD12 LEU 54 24.690 2.700 -73.571 370 HD13 LEU 54 HD13 LEU 54 24.968 0.983 -73.283 371 HD22 LEU 54 HD21 LEU 54 24.215 2.982 -69.660 372 HD21 LEU 54 HD22 LEU 54 24.683 4.041 -70.992 373 HD23 LEU 54 HD23 LEU 54 25.792 2.794 -70.425 374 H GLU 55 H GLU 55 20.369 3.245 -73.838 375 HA GLU 55 HA GLU 55 18.189 2.050 -72.446 376 HB2 GLU 55 HB2 GLU 55 18.298 3.895 -74.841 377 HB3 GLU 55 HB3 GLU 55 16.781 3.389 -74.090 378 HG2 GLU 55 HG2 GLU 55 19.042 4.689 -72.555 379 HG3 GLU 55 HG3 GLU 55 17.688 5.591 -73.235 380 H THR 56 H THR 56 19.422 1.569 -75.744 381 HA THR 56 HA THR 56 17.252 -0.038 -76.683 382 HB THR 56 HB THR 56 18.914 -0.866 -78.363 383 HG1 THR 56 HG1 THR 56 20.962 -0.677 -77.961 384 HG23 THR 56 HG21 THR 56 17.982 1.171 -79.073 385 HG22 THR 56 HG22 THR 56 19.701 1.556 -79.089 386 HG21 THR 56 HG23 THR 56 18.692 2.080 -77.745 387 H ILE 57 H ILE 57 20.272 -0.865 -74.993 388 HA ILE 57 HA ILE 57 19.945 -3.701 -75.095 389 HB ILE 57 HB ILE 57 21.311 -2.072 -72.930 390 HG12 ILE 57 HG12 ILE 57 22.477 -3.276 -75.460 391 HG13 ILE 57 HG13 ILE 57 22.013 -1.581 -75.319 392 HG22 ILE 57 HG21 ILE 57 22.715 -4.173 -72.788 393 HG21 ILE 57 HG22 ILE 57 21.550 -4.949 -73.864 394 HG23 ILE 57 HG23 ILE 57 21.039 -4.389 -72.271 395 HD12 ILE 57 HD11 ILE 57 24.301 -3.041 -74.012 396 HD11 ILE 57 HD12 ILE 57 23.599 -1.672 -73.151 397 HD13 ILE 57 HD13 ILE 57 24.288 -1.442 -74.758 398 H LYS 58 H LYS 58 18.779 -1.267 -72.802 399 HA LYS 58 HA LYS 58 17.773 -2.944 -70.766 400 HB2 LYS 58 HB2 LYS 58 17.896 -0.457 -70.674 401 HB3 LYS 58 HB3 LYS 58 16.609 -0.364 -71.867 402 HG2 LYS 58 HG2 LYS 58 16.155 -1.899 -69.318 403 HG3 LYS 58 HG3 LYS 58 16.018 -0.148 -69.317 404 HD2 LYS 58 HD2 LYS 58 14.621 -1.020 -71.609 405 HD3 LYS 58 HD3 LYS 58 14.133 -2.107 -70.310 406 HE2 LYS 58 HE2 LYS 58 12.649 -0.135 -70.401 407 HE3 LYS 58 HE3 LYS 58 13.562 -0.141 -68.894 408 HZ2 LYS 58 HZ1 LYS 58 13.568 2.041 -69.937 409 HZ1 LYS 58 HZ2 LYS 58 14.285 1.387 -71.333 410 HZ3 LYS 58 HZ3 LYS 58 15.138 1.399 -69.866 411 H THR 59 H THR 59 16.064 -1.658 -73.632 412 HA THR 59 HA THR 59 13.603 -2.947 -73.172 413 HB THR 59 HB THR 59 13.289 -2.686 -75.685 414 HG1 THR 59 HG1 THR 59 15.370 -2.934 -76.374 415 HG23 THR 59 HG21 THR 59 13.264 -0.262 -75.615 416 HG22 THR 59 HG22 THR 59 14.435 -0.236 -74.294 417 HG21 THR 59 HG23 THR 59 12.807 -0.853 -74.016 418 H LYS 60 H LYS 60 16.537 -4.208 -74.687 419 HA LYS 60 HA LYS 60 15.288 -6.600 -75.723 420 HB2 LYS 60 HB2 LYS 60 17.488 -5.795 -76.549 421 HB3 LYS 60 HB3 LYS 60 18.188 -6.154 -74.966 422 HG2 LYS 60 HG2 LYS 60 18.641 -8.030 -76.438 423 HG3 LYS 60 HG3 LYS 60 17.448 -8.532 -75.239 424 HD2 LYS 60 HD2 LYS 60 15.675 -8.452 -76.788 425 HD3 LYS 60 HD3 LYS 60 16.580 -7.423 -77.899 426 HE2 LYS 60 HE2 LYS 60 17.460 -10.238 -77.241 427 HE3 LYS 60 HE3 LYS 60 16.359 -9.883 -78.571 428 HZ1 LYS 60 HZ1 LYS 60 18.078 -8.260 -79.361 429 HZ3 LYS 60 HZ2 LYS 60 18.524 -9.898 -79.465 430 HZ2 LYS 60 HZ3 LYS 60 19.139 -8.925 -78.216 431 H ALA 61 H ALA 61 16.866 -5.755 -72.691 432 HA ALA 61 HA ALA 61 16.934 -8.405 -71.599 433 HB1 ALA 61 HB1 ALA 61 16.587 -5.939 -69.893 434 HB3 ALA 61 HB2 ALA 61 18.075 -6.176 -70.808 435 HB2 ALA 61 HB3 ALA 61 17.587 -7.363 -69.599 436 H GLY 62 H GLY 62 14.535 -5.775 -71.366 437 HA3 GLY 62 HA2 GLY 62 12.752 -7.081 -69.595 438 HA2 GLY 62 HA3 GLY 62 12.285 -5.834 -70.746 439 H GLU 63 H GLU 63 12.664 -6.999 -73.174 440 HA GLU 63 HA GLU 63 10.442 -8.838 -73.297 441 HB2 GLU 63 HB2 GLU 63 12.513 -8.020 -75.347 442 HB3 GLU 63 HB3 GLU 63 11.137 -9.058 -75.712 443 HG2 GLU 63 HG2 GLU 63 9.584 -7.307 -75.004 444 HG3 GLU 63 HG3 GLU 63 10.936 -6.265 -74.554 445 H THR 64 H THR 64 13.975 -9.260 -73.703 446 HA THR 64 HA THR 64 13.893 -12.034 -74.279 447 HB THR 64 HB THR 64 16.103 -10.469 -72.913 448 HG1 THR 64 HG1 THR 64 15.393 -10.760 -75.641 449 HG21 THR 64 HG21 THR 64 16.048 -12.982 -74.595 450 HG23 THR 64 HG22 THR 64 16.583 -12.829 -72.921 451 HG22 THR 64 HG23 THR 64 17.527 -12.099 -74.222 452 H PHE 65 H PHE 65 14.982 -10.561 -71.176 453 HA PHE 65 HA PHE 65 14.430 -13.166 -69.859 454 HB2 PHE 65 HB2 PHE 65 16.033 -10.735 -69.125 455 HB3 PHE 65 HB3 PHE 65 15.608 -11.936 -67.906 456 HD1 PHE 65 HD1 PHE 65 17.552 -11.268 -70.963 457 HD2 PHE 65 HD2 PHE 65 16.468 -14.252 -68.047 458 HE1 PHE 65 HE1 PHE 65 19.385 -12.739 -71.779 459 HE2 PHE 65 HE2 PHE 65 18.303 -15.717 -68.866 460 HZ PHE 65 HZ PHE 65 19.760 -14.958 -70.729 461 H GLY 66 H GLY 66 13.592 -9.696 -69.284 462 HA3 GLY 66 HA2 GLY 66 10.995 -9.697 -68.782 463 HA2 GLY 66 HA3 GLY 66 11.488 -10.651 -67.390 464 H GLU 67 H GLU 67 10.399 -8.793 -66.315 465 HA GLU 67 HA GLU 67 11.605 -6.165 -66.261 466 HB2 GLU 67 HB2 GLU 67 9.719 -7.560 -64.342 467 HB3 GLU 67 HB3 GLU 67 10.214 -5.875 -64.177 468 HG2 GLU 67 HG2 GLU 67 9.275 -5.352 -66.386 469 HG3 GLU 67 HG3 GLU 67 8.836 -7.045 -66.613 470 H GLU 68 H GLU 68 12.259 -9.155 -64.623 471 HA GLU 68 HA GLU 68 13.618 -8.192 -62.317 472 HB2 GLU 68 HB2 GLU 68 14.593 -10.410 -62.199 473 HB3 GLU 68 HB3 GLU 68 12.922 -10.571 -62.734 474 HG2 GLU 68 HG2 GLU 68 15.357 -10.563 -64.542 475 HG3 GLU 68 HG3 GLU 68 14.420 -11.990 -64.094 476 H LYS 69 H LYS 69 14.681 -8.709 -65.641 477 HA LYS 69 HA LYS 69 17.440 -7.852 -64.950 478 HB2 LYS 69 HB2 LYS 69 16.176 -9.242 -67.268 479 HB3 LYS 69 HB3 LYS 69 17.650 -8.326 -67.551 480 HG2 LYS 69 HG2 LYS 69 18.512 -9.649 -65.425 481 HG3 LYS 69 HG3 LYS 69 17.230 -10.777 -65.866 482 HD2 LYS 69 HD2 LYS 69 18.210 -10.971 -68.150 483 HD3 LYS 69 HD3 LYS 69 19.488 -9.853 -67.685 484 HE2 LYS 69 HE2 LYS 69 18.990 -12.402 -66.139 485 HE3 LYS 69 HE3 LYS 69 20.036 -12.362 -67.555 486 HZ3 LYS 69 HZ1 LYS 69 21.559 -11.035 -66.511 487 HZ2 LYS 69 HZ2 LYS 69 20.993 -11.938 -65.187 488 HZ1 LYS 69 HZ3 LYS 69 20.423 -10.358 -65.447 489 H GLU 70 H GLU 70 14.548 -6.644 -66.414 490 HA GLU 70 HA GLU 70 15.733 -4.645 -68.090 491 HB2 GLU 70 HB2 GLU 70 13.589 -3.922 -68.437 492 HB3 GLU 70 HB3 GLU 70 13.219 -5.517 -67.801 493 HG2 GLU 70 HG2 GLU 70 11.842 -4.047 -66.544 494 HG3 GLU 70 HG3 GLU 70 13.205 -4.406 -65.486 495 H ALA 71 H ALA 71 14.566 -4.533 -64.723 496 HA ALA 71 HA ALA 71 15.074 -1.725 -64.406 497 HB2 ALA 71 HB1 ALA 71 13.541 -2.749 -62.893 498 HB3 ALA 71 HB2 ALA 71 14.934 -2.240 -61.941 499 HB1 ALA 71 HB3 ALA 71 14.740 -3.937 -62.382 500 H ILE 72 H ILE 72 17.203 -4.524 -64.058 501 HA ILE 72 HA ILE 72 19.168 -3.196 -62.460 502 HB ILE 72 HB ILE 72 20.804 -4.807 -63.179 503 HG12 ILE 72 HG12 ILE 72 19.736 -6.342 -65.203 504 HG13 ILE 72 HG13 ILE 72 19.180 -4.731 -65.647 505 HG21 ILE 72 HG21 ILE 72 17.989 -6.010 -63.127 506 HG23 ILE 72 HG22 ILE 72 19.063 -5.806 -61.758 507 HG22 ILE 72 HG23 ILE 72 19.463 -6.966 -63.024 508 HD11 ILE 72 HD11 ILE 72 21.553 -3.924 -65.418 509 HD13 ILE 72 HD12 ILE 72 21.340 -5.094 -66.712 510 HD12 ILE 72 HD13 ILE 72 22.047 -5.596 -65.191 511 H PHE 73 H PHE 73 18.597 -3.149 -65.966 512 HA PHE 73 HA PHE 73 20.926 -1.575 -66.589 513 HB2 PHE 73 HB2 PHE 73 18.299 -2.006 -67.998 514 HB3 PHE 73 HB3 PHE 73 19.537 -0.928 -68.653 515 HD1 PHE 73 HD1 PHE 73 18.552 -4.389 -68.063 516 HD2 PHE 73 HD2 PHE 73 21.808 -1.816 -69.204 517 HE1 PHE 73 HE1 PHE 73 19.756 -6.343 -69.013 518 HE2 PHE 73 HE2 PHE 73 23.013 -3.766 -70.164 519 HZ PHE 73 HZ PHE 73 21.976 -6.028 -70.068 520 H GLU 74 H GLU 74 17.606 -0.684 -65.657 521 HA GLU 74 HA GLU 74 17.881 2.100 -66.144 522 HB2 GLU 74 HB2 GLU 74 15.737 0.929 -65.572 523 HB3 GLU 74 HB3 GLU 74 16.299 0.803 -63.906 524 HG2 GLU 74 HG2 GLU 74 16.473 3.247 -63.748 525 HG3 GLU 74 HG3 GLU 74 15.966 3.404 -65.436 526 H GLY 75 H GLY 75 18.769 0.130 -63.317 527 HA3 GLY 75 HA2 GLY 75 19.550 2.319 -61.643 528 HA2 GLY 75 HA3 GLY 75 20.158 0.668 -61.493 529 H HIS 76 H HIS 76 21.414 0.265 -63.886 530 HA HIS 76 HA HIS 76 23.920 1.573 -63.527 531 HB2 HIS 76 HB2 HIS 76 22.738 0.074 -65.875 532 HB3 HIS 76 HB3 HIS 76 24.396 0.677 -65.866 533 HD1 HIS 76 HD1 HIS 76 22.944 -0.569 -62.672 534 HD2 HIS 76 HD2 HIS 76 25.400 -2.047 -65.703 535 HE1 HIS 76 HE1 HIS 76 23.964 -2.716 -61.790 536 HE2 HIS 76 HE2 HIS 76 25.458 -3.619 -63.626 537 H ILE 77 H ILE 77 21.297 2.149 -65.869 538 HA ILE 77 HA ILE 77 22.621 4.348 -67.169 539 HB ILE 77 HB ILE 77 19.856 3.233 -67.132 540 HG12 ILE 77 HG12 ILE 77 21.790 2.756 -68.788 541 HG13 ILE 77 HG13 ILE 77 20.205 3.106 -69.473 542 HG22 ILE 77 HG21 ILE 77 19.135 5.294 -68.510 543 HG21 ILE 77 HG22 ILE 77 20.526 6.113 -67.795 544 HG23 ILE 77 HG23 ILE 77 19.235 5.505 -66.763 545 HD12 ILE 77 HD11 ILE 77 22.512 4.395 -70.256 546 HD11 ILE 77 HD12 ILE 77 21.923 5.513 -69.023 547 HD13 ILE 77 HD13 ILE 77 20.904 5.106 -70.399 548 H MET 78 H MET 78 20.154 4.233 -64.550 549 HA MET 78 HA MET 78 19.940 7.025 -64.196 550 HB2 MET 78 HB2 MET 78 18.428 5.277 -63.227 551 HB3 MET 78 HB3 MET 78 19.704 4.870 -62.080 552 HG2 MET 78 HG2 MET 78 19.641 7.132 -61.160 553 HG3 MET 78 HG3 MET 78 18.466 7.623 -62.380 554 HE1 MET 78 HE1 MET 78 17.751 8.540 -60.240 555 HE3 MET 78 HE2 MET 78 17.004 7.688 -58.881 556 HE2 MET 78 HE3 MET 78 16.048 8.092 -60.301 557 H LEU 79 H LEU 79 22.210 4.690 -62.796 558 HA LEU 79 HA LEU 79 23.473 6.535 -61.007 559 HB2 LEU 79 HB2 LEU 79 23.749 4.061 -60.894 560 HB3 LEU 79 HB3 LEU 79 24.694 4.122 -62.372 561 HG LEU 79 HG LEU 79 26.284 5.676 -61.231 562 HD11 LEU 79 HD11 LEU 79 24.357 5.283 -58.962 563 HD13 LEU 79 HD12 LEU 79 25.248 6.722 -59.440 564 HD12 LEU 79 HD13 LEU 79 26.069 5.424 -58.587 565 HD21 LEU 79 HD21 LEU 79 26.688 3.204 -61.432 566 HD23 LEU 79 HD22 LEU 79 25.997 2.980 -59.834 567 HD22 LEU 79 HD23 LEU 79 27.487 3.896 -60.022 568 H LEU 80 H LEU 80 24.084 5.622 -64.349 569 HA LEU 80 HA LEU 80 26.527 7.050 -64.642 570 HB2 LEU 80 HB2 LEU 80 26.076 5.489 -66.344 571 HB3 LEU 80 HB3 LEU 80 24.434 6.084 -66.582 572 HG LEU 80 HG LEU 80 26.577 8.072 -67.073 573 HD13 LEU 80 HD11 LEU 80 27.764 6.361 -68.189 574 HD12 LEU 80 HD12 LEU 80 26.761 7.031 -69.476 575 HD11 LEU 80 HD13 LEU 80 26.287 5.531 -68.674 576 HD21 LEU 80 HD21 LEU 80 24.020 8.237 -67.417 577 HD23 LEU 80 HD22 LEU 80 24.282 7.243 -68.850 578 HD22 LEU 80 HD23 LEU 80 25.054 8.824 -68.719 579 H GLU 81 H GLU 81 23.147 8.030 -65.093 580 HA GLU 81 HA GLU 81 23.910 10.708 -66.011 581 HB2 GLU 81 HB2 GLU 81 21.759 9.333 -66.598 582 HB3 GLU 81 HB3 GLU 81 21.157 9.954 -65.059 583 HG2 GLU 81 HG2 GLU 81 20.448 11.508 -66.738 584 HG3 GLU 81 HG3 GLU 81 21.787 12.279 -65.890 585 H ASP 82 H ASP 82 24.180 9.355 -63.055 586 HA ASP 82 HA ASP 82 22.810 10.975 -61.226 587 HB2 ASP 82 HB2 ASP 82 24.594 10.500 -59.642 588 HB3 ASP 82 HB3 ASP 82 24.314 9.064 -60.625 589 H GLU 83 H GLU 83 22.885 13.113 -60.742 590 HA GLU 83 HA GLU 83 24.316 14.979 -62.336 591 HB2 GLU 83 HB2 GLU 83 22.246 15.462 -60.993 592 HB3 GLU 83 HB3 GLU 83 23.245 15.458 -59.535 593 HG2 GLU 83 HG2 GLU 83 24.612 17.290 -60.464 594 HG3 GLU 83 HG3 GLU 83 23.640 17.270 -61.933 595 H GLU 84 H GLU 84 25.387 13.161 -59.589 596 HA GLU 84 HA GLU 84 27.441 15.015 -58.719 597 HB2 GLU 84 HB2 GLU 84 27.093 12.028 -58.341 598 HB3 GLU 84 HB3 GLU 84 28.381 12.969 -57.582 599 HG2 GLU 84 HG2 GLU 84 26.717 14.379 -56.458 600 HG3 GLU 84 HG3 GLU 84 25.410 13.496 -57.254 601 H LEU 85 H LEU 85 27.231 12.396 -61.027 602 HA LEU 85 HA LEU 85 30.077 12.241 -61.618 603 HB2 LEU 85 HB2 LEU 85 28.599 10.381 -62.161 604 HB3 LEU 85 HB3 LEU 85 27.671 11.399 -63.252 605 HG LEU 85 HG LEU 85 30.588 11.341 -63.764 606 HD11 LEU 85 HD11 LEU 85 28.826 8.926 -64.273 607 HD13 LEU 85 HD12 LEU 85 30.191 8.990 -63.159 608 HD12 LEU 85 HD13 LEU 85 30.460 9.146 -64.890 609 HD21 LEU 85 HD21 LEU 85 28.142 10.976 -65.533 610 HD23 LEU 85 HD22 LEU 85 29.795 11.194 -66.107 611 HD22 LEU 85 HD23 LEU 85 28.975 12.497 -65.252 612 H GLU 86 H GLU 86 27.340 13.952 -63.067 613 HA GLU 86 HA GLU 86 28.709 14.989 -65.324 614 HB2 GLU 86 HB2 GLU 86 26.228 15.088 -64.932 615 HB3 GLU 86 HB3 GLU 86 26.516 16.363 -63.748 616 HG2 GLU 86 HG2 GLU 86 27.564 17.760 -65.477 617 HG3 GLU 86 HG3 GLU 86 27.327 16.482 -66.668 618 H GLN 87 H GLN 87 28.239 16.420 -62.091 619 HA GLN 87 HA GLN 87 29.807 18.767 -62.674 620 HB2 GLN 87 HB2 GLN 87 29.057 17.476 -60.035 621 HB3 GLN 87 HB3 GLN 87 29.782 19.077 -60.194 622 HG2 GLN 87 HG2 GLN 87 27.186 18.278 -61.542 623 HG3 GLN 87 HG3 GLN 87 27.267 19.104 -59.982 624 HE21 GLN 87 HE21 GLN 87 29.202 21.019 -60.300 625 HE22 GLN 87 HE22 GLN 87 28.826 22.064 -61.584 626 H GLU 88 H GLU 88 30.597 15.660 -61.099 627 HA GLU 88 HA GLU 88 33.282 16.427 -60.390 628 HB2 GLU 88 HB2 GLU 88 31.801 13.826 -60.549 629 HB3 GLU 88 HB3 GLU 88 33.548 13.823 -60.307 630 HG2 GLU 88 HG2 GLU 88 32.310 13.819 -58.150 631 HG3 GLU 88 HG3 GLU 88 33.303 15.265 -58.336 632 H ILE 89 H ILE 89 31.982 14.714 -63.232 633 HA ILE 89 HA ILE 89 34.579 14.106 -64.325 634 HB ILE 89 HB ILE 89 33.348 13.718 -66.444 635 HG12 ILE 89 HG12 ILE 89 30.671 14.005 -65.693 636 HG13 ILE 89 HG13 ILE 89 31.441 15.461 -65.074 637 HG23 ILE 89 HG21 ILE 89 33.291 11.829 -65.031 638 HG22 ILE 89 HG22 ILE 89 31.594 12.098 -65.406 639 HG21 ILE 89 HG23 ILE 89 32.249 12.619 -63.855 640 HD13 ILE 89 HD11 ILE 89 32.297 16.026 -67.272 641 HD12 ILE 89 HD12 ILE 89 30.572 15.684 -67.442 642 HD11 ILE 89 HD13 ILE 89 31.765 14.480 -67.924 643 H ILE 90 H ILE 90 32.263 16.731 -64.879 644 HA ILE 90 HA ILE 90 33.859 18.131 -66.810 645 HB ILE 90 HB ILE 90 32.286 19.999 -66.366 646 HG12 ILE 90 HG12 ILE 90 30.410 19.157 -64.632 647 HG13 ILE 90 HG13 ILE 90 31.790 18.299 -63.948 648 HG21 ILE 90 HG21 ILE 90 31.679 17.897 -67.743 649 HG23 ILE 90 HG22 ILE 90 30.345 18.915 -67.197 650 HG22 ILE 90 HG23 ILE 90 30.724 17.418 -66.345 651 HD12 ILE 90 HD11 ILE 90 31.114 21.115 -63.753 652 HD11 ILE 90 HD12 ILE 90 32.723 20.919 -64.450 653 HD13 ILE 90 HD13 ILE 90 32.346 20.205 -62.886 654 H ALA 91 H ALA 91 33.593 18.403 -63.281 655 HA ALA 91 HA ALA 91 35.101 20.788 -62.995 656 HB3 ALA 91 HB1 ALA 91 33.803 19.774 -61.161 657 HB1 ALA 91 HB2 ALA 91 35.473 20.081 -60.677 658 HB2 ALA 91 HB3 ALA 91 34.960 18.443 -61.089 659 H LEU 92 H LEU 92 36.267 17.390 -62.922 660 HA LEU 92 HA LEU 92 38.998 18.043 -62.462 661 HB2 LEU 92 HB2 LEU 92 37.525 15.698 -63.601 662 HB3 LEU 92 HB3 LEU 92 39.271 15.760 -63.830 663 HG LEU 92 HG LEU 92 39.397 16.224 -61.277 664 HD13 LEU 92 HD11 LEU 92 37.527 15.636 -59.940 665 HD12 LEU 92 HD12 LEU 92 36.694 14.872 -61.295 666 HD11 LEU 92 HD13 LEU 92 36.851 16.629 -61.233 667 HD22 LEU 92 HD21 LEU 92 40.144 14.090 -62.159 668 HD21 LEU 92 HD22 LEU 92 38.492 13.537 -62.388 669 HD23 LEU 92 HD23 LEU 92 39.129 13.743 -60.761 670 H ILE 93 H ILE 93 37.238 17.564 -65.532 671 HA ILE 93 HA ILE 93 39.479 18.007 -67.252 672 HB ILE 93 HB ILE 93 36.562 18.705 -67.757 673 HG12 ILE 93 HG12 ILE 93 38.057 16.147 -68.463 674 HG13 ILE 93 HG13 ILE 93 37.022 16.306 -67.045 675 HG22 ILE 93 HG21 ILE 93 37.240 18.416 -70.156 676 HG21 ILE 93 HG22 ILE 93 38.898 18.165 -69.638 677 HG23 ILE 93 HG23 ILE 93 38.121 19.723 -69.372 678 HD12 ILE 93 HD11 ILE 93 36.228 16.433 -69.955 679 HD11 ILE 93 HD12 ILE 93 35.174 17.057 -68.689 680 HD13 ILE 93 HD13 ILE 93 35.621 15.361 -68.697 681 H LYS 94 H LYS 94 36.991 20.205 -66.028 682 HA LYS 94 HA LYS 94 38.185 22.576 -67.181 683 HB2 LYS 94 HB2 LYS 94 36.166 22.245 -64.950 684 HB3 LYS 94 HB3 LYS 94 36.726 23.819 -65.510 685 HG2 LYS 94 HG2 LYS 94 36.009 23.115 -67.850 686 HG3 LYS 94 HG3 LYS 94 35.239 21.716 -67.112 687 HD2 LYS 94 HD2 LYS 94 33.460 22.954 -66.367 688 HD3 LYS 94 HD3 LYS 94 34.489 24.247 -65.765 689 HE2 LYS 94 HE2 LYS 94 34.703 25.157 -68.038 690 HE3 LYS 94 HE3 LYS 94 33.721 23.841 -68.675 691 HZ2 LYS 94 HZ1 LYS 94 32.672 26.145 -68.034 692 HZ1 LYS 94 HZ2 LYS 94 32.621 25.447 -66.487 693 HZ3 LYS 94 HZ3 LYS 94 31.827 24.692 -67.785 694 H ASP 95 H ASP 95 38.376 21.130 -63.922 695 HA ASP 95 HA ASP 95 40.106 23.298 -62.987 696 HB2 ASP 95 HB2 ASP 95 38.511 22.037 -61.509 697 HB3 ASP 95 HB3 ASP 95 39.583 20.641 -61.642 698 H LYS 96 H LYS 96 40.650 19.808 -63.581 699 HA LYS 96 HA LYS 96 43.565 20.282 -63.285 700 HB2 LYS 96 HB2 LYS 96 42.005 17.726 -63.701 701 HB3 LYS 96 HB3 LYS 96 43.752 17.813 -63.540 702 HG2 LYS 96 HG2 LYS 96 42.871 19.304 -61.332 703 HG3 LYS 96 HG3 LYS 96 41.672 18.023 -61.444 704 HD2 LYS 96 HD2 LYS 96 43.324 16.311 -61.221 705 HD3 LYS 96 HD3 LYS 96 44.650 17.442 -61.490 706 HE2 LYS 96 HE2 LYS 96 44.589 17.043 -59.136 707 HE3 LYS 96 HE3 LYS 96 43.891 18.643 -59.369 708 HZ2 LYS 96 HZ1 LYS 96 42.456 16.092 -58.916 709 HZ1 LYS 96 HZ2 LYS 96 41.678 17.519 -59.405 710 HZ3 LYS 96 HZ3 LYS 96 42.476 17.460 -57.910 711 H HIS 97 H HIS 97 41.490 20.545 -65.873 712 HA HIS 97 HA HIS 97 41.833 20.556 -68.191 713 HB2 HIS 97 HB2 HIS 97 44.768 20.776 -67.492 714 HB3 HIS 97 HB3 HIS 97 43.947 21.408 -68.920 715 HD1 HIS 97 HD1 HIS 97 45.534 23.193 -66.812 716 HD2 HIS 97 HD2 HIS 97 41.398 22.685 -66.940 717 HE1 HIS 97 HE1 HIS 97 44.529 25.200 -65.637 718 HE2 HIS 97 HE2 HIS 97 42.007 24.907 -65.711 719 H MET 98 H MET 98 41.663 18.065 -66.949 720 HA MET 98 HA MET 98 43.671 16.297 -68.251 721 HB2 MET 98 HB2 MET 98 41.373 15.791 -66.356 722 HB3 MET 98 HB3 MET 98 42.324 14.485 -67.068 723 HG2 MET 98 HG2 MET 98 44.329 15.253 -66.021 724 HG3 MET 98 HG3 MET 98 43.593 16.792 -65.586 725 HE2 MET 98 HE1 MET 98 43.706 12.957 -63.244 726 HE1 MET 98 HE2 MET 98 44.914 13.768 -64.252 727 HE3 MET 98 HE3 MET 98 43.568 12.910 -64.998 728 H THR 99 H THR 99 42.721 14.293 -69.420 729 HA THR 99 HA THR 99 40.932 15.266 -71.525 730 HB THR 99 HB THR 99 41.324 13.031 -72.533 731 HG1 THR 99 HG1 THR 99 42.887 11.717 -71.366 732 HG22 THR 99 HG21 THR 99 43.914 13.230 -72.534 733 HG21 THR 99 HG22 THR 99 43.657 14.653 -71.525 734 HG23 THR 99 HG23 THR 99 42.976 14.588 -73.151 735 H ALA 100 H ALA 100 38.944 14.061 -72.139 736 HA ALA 100 HA ALA 100 37.211 13.636 -69.886 737 HB3 ALA 100 HB1 ALA 100 35.617 12.773 -71.659 738 HB1 ALA 100 HB2 ALA 100 36.905 13.050 -72.834 739 HB2 ALA 100 HB3 ALA 100 36.234 14.405 -71.929 740 H ASP 101 H ASP 101 38.855 11.367 -72.107 741 HA ASP 101 HA ASP 101 37.579 9.053 -70.939 742 HB2 ASP 101 HB2 ASP 101 39.611 7.861 -72.058 743 HB3 ASP 101 HB3 ASP 101 38.406 8.633 -73.089 744 H ALA 102 H ALA 102 40.552 10.841 -70.231 745 HA ALA 102 HA ALA 102 41.436 8.838 -68.279 746 HB3 ALA 102 HB1 ALA 102 42.979 10.431 -69.579 747 HB2 ALA 102 HB2 ALA 102 43.283 10.280 -67.849 748 HB1 ALA 102 HB3 ALA 102 42.422 11.690 -68.473 749 H ALA 103 H ALA 103 39.860 12.022 -68.204 750 HA ALA 103 HA ALA 103 39.810 12.195 -65.324 751 HB1 ALA 103 HB1 ALA 103 39.572 14.201 -66.726 752 HB3 ALA 103 HB2 ALA 103 38.156 14.009 -65.692 753 HB2 ALA 103 HB3 ALA 103 38.070 13.564 -67.400 754 H ALA 104 H ALA 104 37.368 11.191 -67.731 755 HA ALA 104 HA ALA 104 35.293 10.641 -65.851 756 HB2 ALA 104 HB1 ALA 104 34.900 10.777 -68.284 757 HB3 ALA 104 HB2 ALA 104 34.320 9.242 -67.639 758 HB1 ALA 104 HB3 ALA 104 35.844 9.306 -68.519 759 H HIS 105 H HIS 105 37.934 8.628 -67.064 760 HA HIS 105 HA HIS 105 37.118 6.154 -65.937 761 HB2 HIS 105 HB2 HIS 105 39.050 6.447 -67.509 762 HB3 HIS 105 HB3 HIS 105 39.965 7.167 -66.194 763 HD1 HIS 105 HD1 HIS 105 41.580 5.022 -66.619 764 HD2 HIS 105 HD2 HIS 105 37.837 4.216 -64.963 765 HE1 HIS 105 HE1 HIS 105 41.725 2.699 -65.614 766 HE2 HIS 105 HE2 HIS 105 39.452 2.194 -64.609 767 H GLU 106 H GLU 106 38.979 8.821 -64.520 768 HA GLU 106 HA GLU 106 39.623 7.516 -62.068 769 HB2 GLU 106 HB2 GLU 106 40.631 9.655 -62.963 770 HB3 GLU 106 HB3 GLU 106 39.151 10.475 -62.465 771 HG2 GLU 106 HG2 GLU 106 40.721 10.764 -60.678 772 HG3 GLU 106 HG3 GLU 106 39.561 9.552 -60.133 773 H VAL 107 H VAL 107 36.825 9.479 -63.007 774 HA VAL 107 HA VAL 107 35.650 9.632 -60.418 775 HB VAL 107 HB VAL 107 34.341 9.681 -63.146 776 HG12 VAL 107 HG11 VAL 107 32.555 10.951 -61.863 777 HG11 VAL 107 HG12 VAL 107 33.332 10.397 -60.382 778 HG13 VAL 107 HG13 VAL 107 32.640 9.228 -61.505 779 HG23 VAL 107 HG21 VAL 107 34.348 12.189 -62.568 780 HG22 VAL 107 HG22 VAL 107 35.907 11.478 -62.989 781 HG21 VAL 107 HG23 VAL 107 35.501 11.778 -61.300 782 H ILE 108 H ILE 108 34.811 7.367 -63.086 783 HA ILE 108 HA ILE 108 33.038 5.810 -61.417 784 HB ILE 108 HB ILE 108 34.511 4.934 -63.920 785 HG12 ILE 108 HG12 ILE 108 33.310 7.012 -64.375 786 HG13 ILE 108 HG13 ILE 108 32.461 5.669 -65.134 787 HG21 ILE 108 HG21 ILE 108 32.252 3.814 -62.287 788 HG23 ILE 108 HG22 ILE 108 33.547 2.966 -63.136 789 HG22 ILE 108 HG23 ILE 108 32.185 3.619 -64.037 790 HD11 ILE 108 HD11 ILE 108 31.053 5.625 -62.934 791 HD13 ILE 108 HD12 ILE 108 30.719 6.894 -64.108 792 HD12 ILE 108 HD13 ILE 108 31.686 7.248 -62.687 793 H GLU 109 H GLU 109 36.442 5.495 -62.333 794 HA GLU 109 HA GLU 109 36.872 2.955 -61.032 795 HB2 GLU 109 HB2 GLU 109 38.445 3.999 -62.701 796 HB3 GLU 109 HB3 GLU 109 38.896 5.173 -61.464 797 HG2 GLU 109 HG2 GLU 109 39.673 3.358 -59.996 798 HG3 GLU 109 HG3 GLU 109 39.176 2.163 -61.196 799 H GLY 110 H GLY 110 37.108 6.323 -59.997 800 HA3 GLY 110 HA2 GLY 110 38.274 5.928 -57.444 801 HA2 GLY 110 HA3 GLY 110 37.200 7.268 -57.847 802 H GLN 111 H GLN 111 34.770 6.014 -58.310 803 HA GLN 111 HA GLN 111 33.932 5.411 -55.620 804 HB2 GLN 111 HB2 GLN 111 32.626 5.437 -58.295 805 HB3 GLN 111 HB3 GLN 111 31.855 4.469 -57.036 806 HG2 GLN 111 HG2 GLN 111 32.675 7.356 -56.628 807 HG3 GLN 111 HG3 GLN 111 31.068 6.881 -57.174 808 HE21 GLN 111 HE21 GLN 111 32.354 7.960 -54.459 809 HE22 GLN 111 HE22 GLN 111 31.585 6.994 -53.296 810 H ALA 112 H ALA 112 34.185 3.313 -58.523 811 HA ALA 112 HA ALA 112 33.545 0.879 -57.243 812 HB2 ALA 112 HB1 ALA 112 34.343 -0.169 -59.151 813 HB3 ALA 112 HB2 ALA 112 35.736 0.904 -59.283 814 HB1 ALA 112 HB3 ALA 112 34.139 1.469 -59.774 815 H SER 113 H SER 113 36.653 2.579 -57.487 816 HA SER 113 HA SER 113 38.260 0.580 -56.265 817 HB2 SER 113 HB2 SER 113 39.188 2.602 -57.363 818 HB3 SER 113 HB3 SER 113 38.551 3.594 -56.055 819 HG SER 113 HG SER 113 40.539 1.574 -55.953 820 H ALA 114 H ALA 114 36.284 3.169 -54.839 821 HA ALA 114 HA ALA 114 37.077 2.699 -52.128 822 HB2 ALA 114 HB1 ALA 114 34.418 3.736 -53.162 823 HB3 ALA 114 HB2 ALA 114 35.836 4.730 -52.819 824 HB1 ALA 114 HB3 ALA 114 35.010 3.887 -51.508 825 H LEU 115 H LEU 115 34.514 1.311 -54.161 826 HA LEU 115 HA LEU 115 33.264 -0.212 -52.087 827 HB2 LEU 115 HB2 LEU 115 33.307 -0.320 -55.080 828 HB3 LEU 115 HB3 LEU 115 32.690 -1.722 -54.206 829 HG LEU 115 HG LEU 115 31.121 -0.241 -52.982 830 HD13 LEU 115 HD11 LEU 115 32.443 1.818 -53.075 831 HD12 LEU 115 HD12 LEU 115 30.838 2.095 -53.749 832 HD11 LEU 115 HD13 LEU 115 32.223 1.892 -54.822 833 HD21 LEU 115 HD21 LEU 115 30.955 0.045 -55.999 834 HD23 LEU 115 HD22 LEU 115 29.611 0.254 -54.880 835 HD22 LEU 115 HD23 LEU 115 30.355 -1.331 -55.077 836 H GLU 116 H GLU 116 35.991 -1.031 -54.290 837 HA GLU 116 HA GLU 116 36.207 -3.746 -53.531 838 HB2 GLU 116 HB2 GLU 116 38.038 -1.701 -54.684 839 HB3 GLU 116 HB3 GLU 116 38.786 -3.140 -53.990 840 HG2 GLU 116 HG2 GLU 116 37.257 -4.547 -55.387 841 HG3 GLU 116 HG3 GLU 116 36.671 -3.073 -56.161 842 H GLU 117 H GLU 117 37.398 -0.811 -51.957 843 HA GLU 117 HA GLU 117 39.151 -2.001 -50.084 844 HB2 GLU 117 HB2 GLU 117 37.298 0.381 -49.755 845 HB3 GLU 117 HB3 GLU 117 38.556 -0.058 -48.599 846 HG2 GLU 117 HG2 GLU 117 40.271 0.175 -50.347 847 HG3 GLU 117 HG3 GLU 117 39.021 0.572 -51.527 848 H LEU 118 H LEU 118 35.697 -2.192 -50.368 849 HA LEU 118 HA LEU 118 35.004 -2.761 -47.668 850 HB2 LEU 118 HB2 LEU 118 33.823 -3.459 -50.334 851 HB3 LEU 118 HB3 LEU 118 33.154 -4.172 -48.875 852 HG LEU 118 HG LEU 118 32.078 -1.984 -49.650 853 HD11 LEU 118 HD11 LEU 118 32.188 -3.053 -47.245 854 HD13 LEU 118 HD12 LEU 118 31.572 -1.413 -47.451 855 HD12 LEU 118 HD13 LEU 118 33.224 -1.669 -46.904 856 HD23 LEU 118 HD21 LEU 118 34.517 -0.705 -48.397 857 HD22 LEU 118 HD22 LEU 118 33.236 0.080 -49.325 858 HD21 LEU 118 HD23 LEU 118 34.411 -0.958 -50.136 859 H ASP 119 H ASP 119 34.844 -4.753 -46.563 860 HA ASP 119 HA ASP 119 36.611 -6.901 -47.626 861 HB2 ASP 119 HB2 ASP 119 36.645 -7.708 -45.297 862 HB3 ASP 119 HB3 ASP 119 37.078 -6.001 -45.353 863 H ASP 120 H ASP 120 34.007 -6.683 -48.814 864 HA ASP 120 HA ASP 120 32.766 -9.243 -47.849 865 HB2 ASP 120 HB2 ASP 120 31.387 -6.685 -48.664 866 HB3 ASP 120 HB3 ASP 120 30.532 -8.216 -48.488 867 H GLU 121 H GLU 121 32.375 -10.686 -49.417 868 HA GLU 121 HA GLU 121 33.332 -10.261 -52.119 869 HB2 GLU 121 HB2 GLU 121 32.493 -12.536 -52.547 870 HB3 GLU 121 HB3 GLU 121 33.398 -12.484 -51.037 871 HG2 GLU 121 HG2 GLU 121 31.217 -12.206 -49.818 872 HG3 GLU 121 HG3 GLU 121 30.383 -12.455 -51.352 873 H TYR 122 H TYR 122 30.186 -10.085 -50.583 874 HA TYR 122 HA TYR 122 28.616 -10.146 -53.017 875 HB2 TYR 122 HB2 TYR 122 27.999 -9.114 -50.225 876 HB3 TYR 122 HB3 TYR 122 26.807 -9.342 -51.493 877 HD1 TYR 122 HD1 TYR 122 28.601 -10.896 -48.783 878 HD2 TYR 122 HD2 TYR 122 26.556 -11.734 -52.489 879 HE1 TYR 122 HE1 TYR 122 28.339 -13.283 -48.109 880 HE2 TYR 122 HE2 TYR 122 26.289 -14.108 -51.801 881 HH TYR 122 HH TYR 122 28.011 -15.501 -49.316 882 H LEU 123 H LEU 123 29.980 -7.547 -51.003 883 HA LEU 123 HA LEU 123 28.729 -5.435 -52.566 884 HB2 LEU 123 HB2 LEU 123 30.852 -5.544 -50.425 885 HB3 LEU 123 HB3 LEU 123 30.583 -4.053 -51.334 886 HG LEU 123 HG LEU 123 28.204 -4.093 -50.715 887 HD12 LEU 123 HD11 LEU 123 27.562 -5.753 -48.842 888 HD11 LEU 123 HD12 LEU 123 28.997 -6.660 -49.320 889 HD13 LEU 123 HD13 LEU 123 27.692 -6.397 -50.478 890 HD22 LEU 123 HD21 LEU 123 28.470 -3.495 -48.364 891 HD21 LEU 123 HD22 LEU 123 29.896 -2.949 -49.235 892 HD23 LEU 123 HD23 LEU 123 29.968 -4.409 -48.256 893 H LYS 124 H LYS 124 31.792 -7.156 -52.583 894 HA LYS 124 HA LYS 124 33.197 -5.477 -54.404 895 HB2 LYS 124 HB2 LYS 124 33.396 -8.395 -53.675 896 HB3 LYS 124 HB3 LYS 124 34.445 -7.687 -54.903 897 HG2 LYS 124 HG2 LYS 124 35.313 -6.075 -53.310 898 HG3 LYS 124 HG3 LYS 124 34.165 -6.612 -52.084 899 HD2 LYS 124 HD2 LYS 124 36.086 -7.797 -51.475 900 HD3 LYS 124 HD3 LYS 124 35.255 -8.971 -52.494 901 HE2 LYS 124 HE2 LYS 124 37.563 -8.921 -53.213 902 HE3 LYS 124 HE3 LYS 124 36.632 -8.081 -54.453 903 HZ1 LYS 124 HZ1 LYS 124 37.300 -6.185 -52.550 904 HZ3 LYS 124 HZ2 LYS 124 37.929 -6.336 -54.121 905 HZ2 LYS 124 HZ3 LYS 124 38.712 -7.089 -52.813 906 H GLU 125 H GLU 125 31.026 -8.267 -55.031 907 HA GLU 125 HA GLU 125 31.452 -8.338 -57.858 908 HB2 GLU 125 HB2 GLU 125 28.984 -9.051 -56.256 909 HB3 GLU 125 HB3 GLU 125 29.161 -9.372 -57.979 910 HG2 GLU 125 HG2 GLU 125 31.086 -10.801 -57.563 911 HG3 GLU 125 HG3 GLU 125 31.052 -10.400 -55.844 912 H ARG 126 H ARG 126 29.063 -6.489 -55.933 913 HA ARG 126 HA ARG 126 27.783 -5.306 -58.203 914 HB2 ARG 126 HB2 ARG 126 27.152 -5.215 -55.630 915 HB3 ARG 126 HB3 ARG 126 28.120 -3.740 -55.646 916 HG2 ARG 126 HG2 ARG 126 26.742 -2.817 -57.451 917 HG3 ARG 126 HG3 ARG 126 25.793 -4.300 -57.525 918 HD2 ARG 126 HD2 ARG 126 25.180 -3.895 -55.094 919 HD3 ARG 126 HD3 ARG 126 25.927 -2.308 -55.245 920 HE ARG 126 HE ARG 126 24.144 -2.380 -57.352 921 HH21 ARG 126 HH11 ARG 126 22.011 -1.639 -57.149 922 HH22 ARG 126 HH12 ARG 126 21.234 -1.700 -55.605 923 HH11 ARG 126 HH21 ARG 126 23.975 -3.051 -53.976 924 HH12 ARG 126 HH22 ARG 126 22.340 -2.496 -53.814 925 H ALA 127 H ALA 127 30.721 -4.460 -56.446 926 HA ALA 127 HA ALA 127 31.188 -1.943 -57.720 927 HB3 ALA 127 HB1 ALA 127 32.487 -3.342 -55.786 928 HB1 ALA 127 HB2 ALA 127 33.220 -2.005 -56.661 929 HB2 ALA 127 HB3 ALA 127 33.546 -3.666 -57.160 930 H ALA 128 H ALA 128 31.484 -5.243 -58.763 931 HA ALA 128 HA ALA 128 33.213 -4.756 -61.041 932 HB2 ALA 128 HB1 ALA 128 32.760 -6.991 -61.665 933 HB1 ALA 128 HB2 ALA 128 31.177 -6.977 -60.890 934 HB3 ALA 128 HB3 ALA 128 32.640 -7.018 -59.905 935 H ASP 129 H ASP 129 29.706 -4.851 -60.528 936 HA ASP 129 HA ASP 129 28.980 -4.500 -63.285 937 HB2 ASP 129 HB2 ASP 129 27.503 -3.865 -60.714 938 HB3 ASP 129 HB3 ASP 129 26.777 -3.703 -62.313 939 H VAL 130 H VAL 130 29.595 -2.225 -60.638 940 HA VAL 130 HA VAL 130 28.876 0.128 -62.143 941 HB VAL 130 HB VAL 130 29.740 1.364 -60.352 942 HG11 VAL 130 HG11 VAL 130 27.998 -0.568 -59.794 943 HG13 VAL 130 HG12 VAL 130 28.639 0.489 -58.536 944 HG12 VAL 130 HG13 VAL 130 29.314 -1.126 -58.761 945 HG22 VAL 130 HG21 VAL 130 32.016 0.694 -60.257 946 HG21 VAL 130 HG22 VAL 130 31.590 -0.989 -59.948 947 HG23 VAL 130 HG23 VAL 130 31.363 0.224 -58.686 948 H ARG 131 H ARG 131 31.925 -1.608 -61.610 949 HA ARG 131 HA ARG 131 33.668 0.210 -62.945 950 HB2 ARG 131 HB2 ARG 131 34.391 -1.773 -61.579 951 HB3 ARG 131 HB3 ARG 131 33.864 -2.817 -62.901 952 HG2 ARG 131 HG2 ARG 131 35.410 -1.538 -64.425 953 HG3 ARG 131 HG3 ARG 131 36.034 -0.704 -63.003 954 HD2 ARG 131 HD2 ARG 131 36.125 -3.684 -63.540 955 HD3 ARG 131 HD3 ARG 131 37.491 -2.578 -63.486 956 HE ARG 131 HE ARG 131 36.142 -2.388 -60.997 957 HH21 ARG 131 HH11 ARG 131 36.814 -3.602 -59.219 958 HH22 ARG 131 HH12 ARG 131 37.814 -4.995 -59.466 959 HH11 ARG 131 HH21 ARG 131 37.904 -4.650 -62.915 960 HH12 ARG 131 HH22 ARG 131 38.432 -5.588 -61.559 961 H ASP 132 H ASP 132 31.674 -2.455 -64.139 962 HA ASP 132 HA ASP 132 32.594 -2.521 -66.825 963 HB2 ASP 132 HB2 ASP 132 31.051 -4.172 -65.672 964 HB3 ASP 132 HB3 ASP 132 29.745 -3.014 -65.929 965 H ILE 133 H ILE 133 30.085 -0.510 -65.302 966 HA ILE 133 HA ILE 133 29.048 0.638 -67.680 967 HB ILE 133 HB ILE 133 29.308 1.792 -64.890 968 HG12 ILE 133 HG12 ILE 133 26.890 0.652 -66.330 969 HG13 ILE 133 HG13 ILE 133 27.925 -0.315 -65.284 970 HG22 ILE 133 HG21 ILE 133 27.311 3.223 -65.828 971 HG21 ILE 133 HG22 ILE 133 28.017 2.848 -67.398 972 HG23 ILE 133 HG23 ILE 133 28.963 3.716 -66.189 973 HD12 ILE 133 HD11 ILE 133 26.139 2.006 -64.531 974 HD11 ILE 133 HD12 ILE 133 27.473 1.516 -63.485 975 HD13 ILE 133 HD13 ILE 133 26.176 0.383 -63.852 976 H GLY 134 H GLY 134 31.749 1.734 -65.603 977 HA3 GLY 134 HA2 GLY 134 32.320 4.043 -67.252 978 HA2 GLY 134 HA3 GLY 134 33.386 3.375 -66.020 979 H LYS 135 H LYS 135 33.472 0.711 -67.199 980 HA LYS 135 HA LYS 135 35.740 0.999 -68.891 981 HB2 LYS 135 HB2 LYS 135 35.067 -1.056 -67.583 982 HB3 LYS 135 HB3 LYS 135 33.823 -1.361 -68.794 983 HG2 LYS 135 HG2 LYS 135 35.673 -1.345 -70.542 984 HG3 LYS 135 HG3 LYS 135 36.824 -1.327 -69.205 985 HD2 LYS 135 HD2 LYS 135 34.651 -3.432 -69.520 986 HD3 LYS 135 HD3 LYS 135 36.307 -3.643 -70.086 987 HE2 LYS 135 HE2 LYS 135 37.010 -3.061 -67.666 988 HE3 LYS 135 HE3 LYS 135 35.320 -3.351 -67.248 989 HZ3 LYS 135 HZ1 LYS 135 35.490 -5.558 -68.206 990 HZ2 LYS 135 HZ2 LYS 135 36.653 -5.349 -66.989 991 HZ1 LYS 135 HZ3 LYS 135 37.112 -5.282 -68.622 992 H ARG 136 H ARG 136 32.328 0.268 -69.734 993 HA ARG 136 HA ARG 136 32.797 0.234 -72.575 994 HB2 ARG 136 HB2 ARG 136 30.846 -0.832 -71.446 995 HB3 ARG 136 HB3 ARG 136 30.229 0.773 -71.053 996 HG2 ARG 136 HG2 ARG 136 30.071 1.342 -73.424 997 HG3 ARG 136 HG3 ARG 136 30.783 -0.213 -73.868 998 HD2 ARG 136 HD2 ARG 136 28.867 -1.358 -72.744 999 HD3 ARG 136 HD3 ARG 136 28.145 0.214 -72.433 1000 HE ARG 136 HE ARG 136 27.601 0.347 -74.761 1001 HH21 ARG 136 HH11 ARG 136 27.495 -0.545 -76.829 1002 HH22 ARG 136 HH12 ARG 136 28.365 -2.001 -77.172 1003 HH11 ARG 136 HH21 ARG 136 29.680 -2.288 -73.982 1004 HH12 ARG 136 HH22 ARG 136 29.601 -2.989 -75.564 1005 H LEU 137 H LEU 137 32.010 2.759 -70.259 1006 HA LEU 137 HA LEU 137 31.104 4.748 -72.048 1007 HB2 LEU 137 HB2 LEU 137 32.496 4.775 -69.383 1008 HB3 LEU 137 HB3 LEU 137 32.282 6.290 -70.249 1009 HG LEU 137 HG LEU 137 30.041 4.375 -69.543 1010 HD11 LEU 137 HD11 LEU 137 31.413 6.087 -67.823 1011 HD13 LEU 137 HD12 LEU 137 29.800 5.430 -67.554 1012 HD12 LEU 137 HD13 LEU 137 29.998 7.020 -68.294 1013 HD22 LEU 137 HD21 LEU 137 28.962 5.532 -71.195 1014 HD21 LEU 137 HD22 LEU 137 30.240 6.733 -71.312 1015 HD23 LEU 137 HD23 LEU 137 28.973 6.919 -70.104 1016 H LEU 138 H LEU 138 34.398 3.849 -71.073 1017 HA LEU 138 HA LEU 138 35.746 5.894 -72.537 1018 HB2 LEU 138 HB2 LEU 138 36.541 3.893 -70.871 1019 HB3 LEU 138 HB3 LEU 138 37.045 3.233 -72.423 1020 HG LEU 138 HG LEU 138 38.884 4.540 -71.522 1021 HD12 LEU 138 HD11 LEU 138 37.682 6.414 -73.539 1022 HD11 LEU 138 HD12 LEU 138 38.041 4.751 -74.014 1023 HD13 LEU 138 HD13 LEU 138 39.331 5.801 -73.424 1024 HD21 LEU 138 HD21 LEU 138 37.014 6.042 -70.248 1025 HD23 LEU 138 HD22 LEU 138 37.389 7.109 -71.596 1026 HD22 LEU 138 HD23 LEU 138 38.655 6.584 -70.499 1027 H ARG 139 H ARG 139 34.598 2.667 -73.493 1028 HA ARG 139 HA ARG 139 35.770 2.798 -76.137 1029 HB2 ARG 139 HB2 ARG 139 33.451 1.206 -75.017 1030 HB3 ARG 139 HB3 ARG 139 33.993 1.053 -76.685 1031 HG2 ARG 139 HG2 ARG 139 36.171 0.259 -75.997 1032 HG3 ARG 139 HG3 ARG 139 35.857 0.696 -74.317 1033 HD2 ARG 139 HD2 ARG 139 34.747 -1.251 -73.904 1034 HD3 ARG 139 HD3 ARG 139 33.844 -1.145 -75.409 1035 HE ARG 139 HE ARG 139 36.664 -1.891 -75.748 1036 HH21 ARG 139 HH11 ARG 139 37.053 -4.025 -76.394 1037 HH22 ARG 139 HH12 ARG 139 35.747 -5.165 -76.404 1038 HH11 ARG 139 HH21 ARG 139 33.393 -2.885 -75.278 1039 HH12 ARG 139 HH22 ARG 139 33.679 -4.520 -75.776 1040 H ASN 140 H ASN 140 32.637 3.714 -74.771 1041 HA ASN 140 HA ASN 140 31.328 4.419 -77.197 1042 HB2 ASN 140 HB2 ASN 140 29.802 4.362 -75.517 1043 HB3 ASN 140 HB3 ASN 140 30.893 5.007 -74.289 1044 HD21 ASN 140 HD21 ASN 140 29.820 6.270 -77.503 1045 HD22 ASN 140 HD22 ASN 140 29.332 7.781 -76.901 1046 H ILE 141 H ILE 141 33.492 6.383 -75.106 1047 HA ILE 141 HA ILE 141 32.955 8.820 -76.573 1048 HB ILE 141 HB ILE 141 33.836 9.028 -74.341 1049 HG12 ILE 141 HG12 ILE 141 36.177 9.606 -76.186 1050 HG13 ILE 141 HG13 ILE 141 34.706 10.569 -76.164 1051 HG21 ILE 141 HG21 ILE 141 34.925 6.778 -74.185 1052 HG23 ILE 141 HG22 ILE 141 36.016 8.049 -73.648 1053 HG22 ILE 141 HG23 ILE 141 36.212 7.345 -75.243 1054 HD11 ILE 141 HD11 ILE 141 35.037 10.998 -73.739 1055 HD13 ILE 141 HD12 ILE 141 36.383 11.603 -74.706 1056 HD12 ILE 141 HD13 ILE 141 36.543 10.093 -73.810 1057 H LEU 142 H LEU 142 35.459 6.302 -76.662 1058 HA LEU 142 HA LEU 142 36.918 7.526 -78.829 1059 HB2 LEU 142 HB2 LEU 142 37.685 5.702 -77.118 1060 HB3 LEU 142 HB3 LEU 142 36.962 4.572 -78.256 1061 HG LEU 142 HG LEU 142 38.401 5.928 -80.021 1062 HD13 LEU 142 HD11 LEU 142 39.167 7.634 -78.442 1063 HD12 LEU 142 HD12 LEU 142 40.542 6.685 -79.014 1064 HD11 LEU 142 HD13 LEU 142 39.870 6.387 -77.408 1065 HD21 LEU 142 HD21 LEU 142 39.390 3.820 -78.088 1066 HD23 LEU 142 HD22 LEU 142 40.383 4.370 -79.438 1067 HD22 LEU 142 HD23 LEU 142 38.827 3.593 -79.736 1068 H GLY 143 H GLY 143 34.252 5.234 -78.610 1069 HA3 GLY 143 HA2 GLY 143 32.678 4.750 -80.328 1070 HA2 GLY 143 HA3 GLY 143 33.694 5.630 -81.473 1071 H LEU 144 H LEU 144 34.551 2.987 -79.269 1072 HA LEU 144 HA LEU 144 36.032 1.603 -81.285 1073 HB2 LEU 144 HB2 LEU 144 36.595 1.495 -78.870 1074 HB3 LEU 144 HB3 LEU 144 35.098 0.608 -78.583 1075 HG LEU 144 HG LEU 144 35.866 -1.144 -80.180 1076 HD11 LEU 144 HD11 LEU 144 38.162 0.766 -80.391 1077 HD13 LEU 144 HD12 LEU 144 37.365 -0.167 -81.657 1078 HD12 LEU 144 HD13 LEU 144 38.483 -0.961 -80.547 1079 HD23 LEU 144 HD21 LEU 144 37.729 -2.011 -78.709 1080 HD22 LEU 144 HD22 LEU 144 36.285 -1.516 -77.824 1081 HD21 LEU 144 HD23 LEU 144 37.700 -0.465 -77.864 1082 H LYS 145 H LYS 145 35.533 -0.259 -82.401 1083 HA LYS 145 HA LYS 145 32.845 -0.676 -83.144 1084 HB2 LYS 145 HB2 LYS 145 34.558 -1.291 -84.693 1085 HB3 LYS 145 HB3 LYS 145 35.328 -2.357 -83.517 1086 HG2 LYS 145 HG2 LYS 145 34.081 -4.047 -84.322 1087 HG3 LYS 145 HG3 LYS 145 32.650 -3.227 -83.695 1088 HD2 LYS 145 HD2 LYS 145 32.857 -1.804 -85.902 1089 HD3 LYS 145 HD3 LYS 145 33.784 -3.191 -86.474 1090 HE2 LYS 145 HE2 LYS 145 31.943 -4.685 -86.102 1091 HE3 LYS 145 HE3 LYS 145 31.041 -3.452 -85.220 1092 HZ3 LYS 145 HZ1 LYS 145 30.193 -2.738 -87.118 1093 HZ2 LYS 145 HZ2 LYS 145 31.010 -3.969 -87.957 1094 HZ1 LYS 145 HZ3 LYS 145 31.740 -2.447 -87.748 1095 H ILE 146 H ILE 146 31.288 -2.024 -82.421 1096 HA ILE 146 HA ILE 146 31.936 -3.672 -80.058 1097 HB ILE 146 HB ILE 146 29.216 -2.682 -80.933 1098 HG12 ILE 146 HG12 ILE 146 30.615 -0.754 -80.428 1099 HG13 ILE 146 HG13 ILE 146 29.517 -1.024 -79.072 1100 HG22 ILE 146 HG21 ILE 146 30.253 -3.801 -78.309 1101 HG21 ILE 146 HG22 ILE 146 29.240 -4.672 -79.463 1102 HG23 ILE 146 HG23 ILE 146 28.603 -3.260 -78.616 1103 HD13 ILE 146 HD11 ILE 146 31.576 -0.729 -77.991 1104 HD12 ILE 146 HD12 ILE 146 32.469 -1.585 -79.250 1105 HD11 ILE 146 HD13 ILE 146 31.465 -2.485 -78.113 1106 H ILE 147 H ILE 147 31.587 -5.826 -80.090 1107 HA ILE 147 HA ILE 147 31.083 -7.115 -82.603 1108 HB ILE 147 HB ILE 147 32.630 -8.087 -80.974 1109 HG12 ILE 147 HG12 ILE 147 31.722 -10.393 -80.981 1110 HG13 ILE 147 HG13 ILE 147 30.124 -9.758 -81.379 1111 HG23 ILE 147 HG21 ILE 147 31.934 -8.863 -78.831 1112 HG22 ILE 147 HG22 ILE 147 30.226 -8.687 -79.239 1113 HG21 ILE 147 HG23 ILE 147 31.227 -7.255 -78.989 1114 HD11 ILE 147 HD11 ILE 147 32.437 -8.990 -83.119 1115 HD13 ILE 147 HD12 ILE 147 30.738 -9.183 -83.542 1116 HD12 ILE 147 HD13 ILE 147 31.753 -10.604 -83.296 1117 H ASP 148 H ASP 148 29.281 -6.759 -79.568 1118 HA ASP 148 HA ASP 148 27.001 -7.020 -79.086 1119 HB2 ASP 148 HB2 ASP 148 26.605 -6.979 -82.095 1120 HB3 ASP 148 HB3 ASP 148 25.401 -6.596 -80.864 1121 H LEU 149 H LEU 149 26.468 -8.999 -78.302 1122 HA LEU 149 HA LEU 149 27.017 -11.431 -79.788 1123 HB2 LEU 149 HB2 LEU 149 25.786 -10.767 -77.124 1124 HB3 LEU 149 HB3 LEU 149 25.706 -12.411 -77.750 1125 HG LEU 149 HG LEU 149 28.216 -12.344 -78.012 1126 HD13 LEU 149 HD11 LEU 149 28.659 -10.011 -78.139 1127 HD12 LEU 149 HD12 LEU 149 29.326 -10.525 -76.587 1128 HD11 LEU 149 HD13 LEU 149 27.776 -9.686 -76.646 1129 HD21 LEU 149 HD21 LEU 149 26.888 -12.050 -75.318 1130 HD23 LEU 149 HD22 LEU 149 28.636 -12.275 -75.431 1131 HD22 LEU 149 HD23 LEU 149 27.537 -13.498 -76.075 1132 H SER 150 H SER 150 24.559 -9.232 -80.109 1133 HA SER 150 HA SER 150 22.385 -11.195 -80.425 1134 HB2 SER 150 HB2 SER 150 21.022 -9.365 -80.343 1135 HB3 SER 150 HB3 SER 150 22.470 -8.491 -79.857 1136 HG SER 150 HG SER 150 21.070 -8.435 -82.208 1137 H ALA 151 H ALA 151 24.914 -9.934 -82.379 1138 HA ALA 151 HA ALA 151 23.502 -10.200 -84.932 1139 HB1 ALA 151 HB1 ALA 151 26.505 -9.984 -84.537 1140 HB3 ALA 151 HB2 ALA 151 25.425 -8.594 -84.417 1141 HB2 ALA 151 HB3 ALA 151 25.550 -9.484 -85.934 1142 H ILE 152 H ILE 152 23.732 -12.656 -83.193 1143 HA ILE 152 HA ILE 152 25.559 -14.367 -84.768 1144 HB ILE 152 HB ILE 152 23.621 -15.087 -82.548 1145 HG12 ILE 152 HG12 ILE 152 25.241 -13.456 -81.786 1146 HG13 ILE 152 HG13 ILE 152 25.645 -15.025 -81.104 1147 HG22 ILE 152 HG21 ILE 152 25.537 -16.974 -82.391 1148 HG21 ILE 152 HG22 ILE 152 25.649 -16.638 -84.119 1149 HG23 ILE 152 HG23 ILE 152 24.125 -17.165 -83.426 1150 HD12 ILE 152 HD11 ILE 152 27.082 -13.420 -83.191 1151 HD11 ILE 152 HD12 ILE 152 27.178 -15.176 -83.293 1152 HD13 ILE 152 HD13 ILE 152 27.738 -14.359 -81.846 1153 H GLN 153 H GLN 153 24.870 -15.278 -86.649 1154 HA GLN 153 HA GLN 153 21.938 -15.618 -87.113 1155 HB2 GLN 153 HB2 GLN 153 24.312 -15.526 -88.981 1156 HB3 GLN 153 HB3 GLN 153 22.730 -16.087 -89.514 1157 HG2 GLN 153 HG2 GLN 153 21.738 -13.937 -88.815 1158 HG3 GLN 153 HG3 GLN 153 23.334 -13.370 -88.319 1159 HE21 GLN 153 HE21 GLN 153 22.068 -11.913 -90.328 1160 HE22 GLN 153 HE22 GLN 153 22.809 -12.208 -91.821 1161 H ASP 154 H ASP 154 24.725 -17.473 -86.314 1162 HA ASP 154 HA ASP 154 23.277 -19.990 -87.130 1163 HB2 ASP 154 HB2 ASP 154 26.238 -19.365 -87.221 1164 HB3 ASP 154 HB3 ASP 154 25.575 -20.993 -87.387 1165 H GLU 155 H GLU 155 23.479 -21.761 -85.719 1166 HA GLU 155 HA GLU 155 23.608 -21.151 -82.923 1167 HB2 GLU 155 HB2 GLU 155 23.713 -23.784 -84.423 1168 HB3 GLU 155 HB3 GLU 155 23.633 -23.675 -82.664 1169 HG2 GLU 155 HG2 GLU 155 21.527 -22.407 -82.832 1170 HG3 GLU 155 HG3 GLU 155 21.594 -22.514 -84.591 1171 H VAL 156 H VAL 156 25.308 -21.191 -81.542 1172 HA VAL 156 HA VAL 156 27.840 -22.525 -82.296 1173 HB VAL 156 HB VAL 156 29.162 -20.441 -81.935 1174 HG12 VAL 156 HG11 VAL 156 27.128 -19.987 -84.123 1175 HG11 VAL 156 HG12 VAL 156 28.323 -21.275 -84.222 1176 HG13 VAL 156 HG13 VAL 156 28.847 -19.598 -84.128 1177 HG22 VAL 156 HG21 VAL 156 27.528 -19.202 -80.594 1178 HG21 VAL 156 HG22 VAL 156 26.406 -19.157 -81.954 1179 HG23 VAL 156 HG23 VAL 156 27.931 -18.272 -82.036 1180 H ILE 157 H ILE 157 29.446 -22.401 -80.442 1181 HA ILE 157 HA ILE 157 27.983 -22.415 -77.841 1182 HB ILE 157 HB ILE 157 30.823 -23.319 -78.476 1183 HG12 ILE 157 HG12 ILE 157 28.338 -25.010 -78.001 1184 HG13 ILE 157 HG13 ILE 157 28.949 -24.618 -79.603 1185 HG22 ILE 157 HG21 ILE 157 29.173 -24.104 -76.060 1186 HG21 ILE 157 HG22 ILE 157 30.091 -22.606 -76.050 1187 HG23 ILE 157 HG23 ILE 157 30.923 -24.141 -76.260 1188 HD12 ILE 157 HD11 ILE 157 29.796 -26.765 -77.919 1189 HD11 ILE 157 HD12 ILE 157 31.146 -25.641 -77.998 1190 HD13 ILE 157 HD13 ILE 157 30.467 -26.306 -79.481 1191 H LEU 158 H LEU 158 28.698 -20.971 -76.180 1192 HA LEU 158 HA LEU 158 30.128 -18.585 -77.247 1193 HB2 LEU 158 HB2 LEU 158 27.897 -18.288 -76.240 1194 HB3 LEU 158 HB3 LEU 158 28.491 -18.976 -74.730 1195 HG LEU 158 HG LEU 158 30.150 -17.132 -74.561 1196 HD12 LEU 158 HD11 LEU 158 29.538 -15.120 -76.160 1197 HD11 LEU 158 HD12 LEU 158 28.894 -16.389 -77.204 1198 HD13 LEU 158 HD13 LEU 158 30.599 -16.393 -76.745 1199 HD22 LEU 158 HD21 LEU 158 28.035 -16.880 -73.417 1200 HD21 LEU 158 HD22 LEU 158 27.243 -16.367 -74.901 1201 HD23 LEU 158 HD23 LEU 158 28.438 -15.325 -74.138 1202 H VAL 159 H VAL 159 32.263 -18.446 -76.812 1203 HA VAL 159 HA VAL 159 33.289 -19.530 -74.191 1204 HB VAL 159 HB VAL 159 34.736 -19.347 -76.853 1205 HG12 VAL 159 HG11 VAL 159 36.479 -20.650 -75.692 1206 HG11 VAL 159 HG12 VAL 159 35.547 -20.557 -74.197 1207 HG13 VAL 159 HG13 VAL 159 36.219 -19.093 -74.912 1208 HG22 VAL 159 HG21 VAL 159 34.503 -21.725 -76.999 1209 HG21 VAL 159 HG22 VAL 159 32.895 -21.091 -76.656 1210 HG23 VAL 159 HG23 VAL 159 33.849 -21.825 -75.367 1211 H ALA 160 H ALA 160 34.265 -17.988 -72.915 1212 HA ALA 160 HA ALA 160 35.573 -15.637 -74.112 1213 HB2 ALA 160 HB1 ALA 160 34.160 -13.998 -73.008 1214 HB1 ALA 160 HB2 ALA 160 33.206 -15.271 -72.244 1215 HB3 ALA 160 HB3 ALA 160 33.127 -15.039 -73.989 1216 H ALA 161 H ALA 161 36.707 -14.359 -72.363 1217 HA ALA 161 HA ALA 161 37.772 -16.144 -70.350 1218 HB2 ALA 161 HB1 ALA 161 37.974 -13.113 -70.374 1219 HB1 ALA 161 HB2 ALA 161 38.996 -14.156 -71.365 1220 HB3 ALA 161 HB3 ALA 161 39.072 -14.262 -69.607 1221 H ASP 162 H ASP 162 35.346 -13.591 -70.435 1222 HA ASP 162 HA ASP 162 33.916 -14.663 -68.192 1223 HB2 ASP 162 HB2 ASP 162 35.844 -13.567 -66.996 1224 HB3 ASP 162 HB3 ASP 162 35.298 -12.021 -67.644 1225 H LEU 163 H LEU 163 31.841 -13.695 -68.052 1226 HA LEU 163 HA LEU 163 31.244 -11.666 -70.189 1227 HB2 LEU 163 HB2 LEU 163 29.680 -13.968 -69.023 1228 HB3 LEU 163 HB3 LEU 163 28.853 -12.659 -69.862 1229 HG LEU 163 HG LEU 163 31.090 -14.354 -71.024 1230 HD11 LEU 163 HD11 LEU 163 28.548 -15.252 -70.715 1231 HD13 LEU 163 HD12 LEU 163 29.511 -15.661 -72.133 1232 HD12 LEU 163 HD13 LEU 163 28.344 -14.348 -72.214 1233 HD22 LEU 163 HD21 LEU 163 31.335 -12.439 -72.258 1234 HD21 LEU 163 HD22 LEU 163 29.686 -11.896 -71.947 1235 HD23 LEU 163 HD23 LEU 163 29.993 -13.139 -73.156 1236 H THR 164 H THR 164 30.181 -9.790 -69.604 1237 HA THR 164 HA THR 164 29.782 -9.318 -66.707 1238 HB THR 164 HB THR 164 29.401 -6.929 -67.489 1239 HG1 THR 164 HG1 THR 164 28.829 -7.283 -69.598 1240 HG23 THR 164 HG21 THR 164 31.571 -7.520 -66.649 1241 HG22 THR 164 HG22 THR 164 31.828 -6.608 -68.138 1242 HG21 THR 164 HG23 THR 164 31.985 -8.365 -68.142 No H/Q in entry = 1242 In of MODEL 1 1 HA PRO 165 HA PRO 165 25.356 -9.937 -66.652 2 HB2 PRO 165 HB2 PRO 165 25.274 -7.082 -65.692 3 HB3 PRO 165 HB3 PRO 165 24.411 -8.504 -65.063 4 HG2 PRO 165 HG2 PRO 165 26.600 -7.552 -63.860 5 HG3 PRO 165 HG3 PRO 165 26.254 -9.287 -63.927 6 HD2 PRO 165 HD2 PRO 165 28.353 -7.744 -65.362 7 HD3 PRO 165 HD3 PRO 165 28.282 -9.483 -64.994 8 H SER 166 H SER 166 26.553 -6.867 -68.002 9 HA SER 166 HA SER 166 24.231 -6.129 -69.444 10 HB2 SER 166 HB2 SER 166 25.961 -4.507 -69.289 11 HB3 SER 166 HB3 SER 166 27.165 -5.619 -69.940 12 HG SER 166 HG SER 166 25.081 -5.355 -71.632 13 H GLU 167 H GLU 167 26.916 -8.268 -70.388 14 HA GLU 167 HA GLU 167 25.979 -8.619 -73.088 15 HB2 GLU 167 HB2 GLU 167 27.957 -9.977 -71.307 16 HB3 GLU 167 HB3 GLU 167 27.401 -10.850 -72.736 17 HG2 GLU 167 HG2 GLU 167 29.404 -9.538 -73.279 18 HG3 GLU 167 HG3 GLU 167 28.008 -8.909 -74.150 19 H THR 168 H THR 168 25.470 -10.474 -70.094 20 HA THR 168 HA THR 168 24.143 -12.684 -71.192 21 HB THR 168 HB THR 168 23.015 -12.916 -68.999 22 HG1 THR 168 HG1 THR 168 23.833 -11.256 -67.420 23 HG23 THR 168 HG21 THR 168 25.075 -13.118 -67.670 24 HG22 THR 168 HG22 THR 168 25.932 -12.126 -68.849 25 HG21 THR 168 HG23 THR 168 25.320 -13.713 -69.315 26 H ALA 169 H ALA 169 22.827 -9.459 -70.657 27 HA ALA 169 HA ALA 169 20.066 -10.281 -71.016 28 HB2 ALA 169 HB1 ALA 169 19.530 -7.977 -71.035 29 HB3 ALA 169 HB2 ALA 169 21.153 -7.525 -71.555 30 HB1 ALA 169 HB3 ALA 169 20.886 -8.125 -69.916 31 H GLN 170 H GLN 170 22.361 -8.581 -73.146 32 HA GLN 170 HA GLN 170 20.585 -8.933 -75.452 33 HB2 GLN 170 HB2 GLN 170 22.099 -6.896 -75.027 34 HB3 GLN 170 HB3 GLN 170 23.441 -7.930 -75.523 35 HG2 GLN 170 HG2 GLN 170 22.452 -8.313 -77.685 36 HG3 GLN 170 HG3 GLN 170 20.946 -7.537 -77.199 37 HE21 GLN 170 HE21 GLN 170 20.811 -5.552 -78.235 38 HE22 GLN 170 HE22 GLN 170 22.091 -4.452 -78.401 39 H LEU 171 H LEU 171 21.486 -11.357 -74.196 40 HA LEU 171 HA LEU 171 23.415 -12.457 -76.182 41 HB2 LEU 171 HB2 LEU 171 24.126 -12.811 -73.921 42 HB3 LEU 171 HB3 LEU 171 22.515 -13.290 -73.414 43 HG LEU 171 HG LEU 171 22.718 -15.361 -74.765 44 HD11 LEU 171 HD11 LEU 171 25.474 -14.258 -75.396 45 HD13 LEU 171 HD12 LEU 171 24.201 -14.617 -76.549 46 HD12 LEU 171 HD13 LEU 171 24.984 -15.929 -75.684 47 HD22 LEU 171 HD21 LEU 171 23.384 -15.541 -72.480 48 HD21 LEU 171 HD22 LEU 171 24.922 -14.733 -72.786 49 HD23 LEU 171 HD23 LEU 171 24.639 -16.358 -73.413 50 H ASN 172 H ASN 172 22.747 -14.106 -77.553 51 HA ASN 172 HA ASN 172 19.846 -14.617 -77.730 52 HB2 ASN 172 HB2 ASN 172 22.160 -15.633 -79.415 53 HB3 ASN 172 HB3 ASN 172 20.454 -15.902 -79.771 54 HD21 ASN 172 HD21 ASN 172 19.693 -13.153 -78.806 55 HD22 ASN 172 HD22 ASN 172 20.212 -12.090 -80.022 56 H LEU 173 H LEU 173 19.197 -16.037 -76.113 57 HA LEU 173 HA LEU 173 20.775 -18.213 -75.122 58 HB2 LEU 173 HB2 LEU 173 17.793 -17.701 -75.071 59 HB3 LEU 173 HB3 LEU 173 18.537 -19.074 -74.262 60 HG LEU 173 HG LEU 173 18.188 -17.193 -72.699 61 HD13 LEU 173 HD11 LEU 173 20.232 -17.538 -71.598 62 HD12 LEU 173 HD12 LEU 173 21.180 -17.186 -73.040 63 HD11 LEU 173 HD13 LEU 173 20.408 -18.756 -72.853 64 HD21 LEU 173 HD21 LEU 173 18.522 -15.473 -74.636 65 HD23 LEU 173 HD22 LEU 173 20.237 -15.590 -74.245 66 HD22 LEU 173 HD23 LEU 173 19.087 -15.029 -73.031 67 H LYS 174 H LYS 174 18.237 -18.120 -77.660 68 HA LYS 174 HA LYS 174 18.170 -20.951 -78.040 69 HB2 LYS 174 HB2 LYS 174 17.423 -18.658 -79.866 70 HB3 LYS 174 HB3 LYS 174 17.093 -20.349 -80.231 71 HG2 LYS 174 HG2 LYS 174 15.780 -20.531 -78.139 72 HG3 LYS 174 HG3 LYS 174 16.075 -18.823 -77.816 73 HD2 LYS 174 HD2 LYS 174 14.978 -18.244 -79.968 74 HD3 LYS 174 HD3 LYS 174 14.650 -19.954 -80.243 75 HE2 LYS 174 HE2 LYS 174 13.679 -18.519 -77.755 76 HE3 LYS 174 HE3 LYS 174 12.725 -18.594 -79.240 77 HZ3 LYS 174 HZ1 LYS 174 11.997 -20.459 -78.191 78 HZ2 LYS 174 HZ2 LYS 174 13.467 -20.742 -77.388 79 HZ1 LYS 174 HZ3 LYS 174 13.310 -21.127 -79.033 80 H LYS 175 H LYS 175 20.287 -18.462 -79.427 81 HA LYS 175 HA LYS 175 21.294 -20.429 -81.410 82 HB2 LYS 175 HB2 LYS 175 21.924 -17.505 -80.960 83 HB3 LYS 175 HB3 LYS 175 22.672 -18.500 -82.210 84 HG2 LYS 175 HG2 LYS 175 20.450 -19.032 -83.132 85 HG3 LYS 175 HG3 LYS 175 19.695 -18.046 -81.882 86 HD2 LYS 175 HD2 LYS 175 20.842 -16.052 -82.746 87 HD3 LYS 175 HD3 LYS 175 21.630 -17.034 -83.982 88 HE2 LYS 175 HE2 LYS 175 19.663 -15.944 -84.945 89 HE3 LYS 175 HE3 LYS 175 19.394 -17.683 -84.860 90 HZ1 LYS 175 HZ1 LYS 175 18.551 -15.970 -82.623 91 HZ3 LYS 175 HZ2 LYS 175 17.918 -17.459 -83.132 92 HZ2 LYS 175 HZ3 LYS 175 17.585 -16.047 -84.018 93 H VAL 176 H VAL 176 21.984 -19.591 -78.217 94 HA VAL 176 HA VAL 176 24.856 -20.396 -78.478 95 HB VAL 176 HB VAL 176 24.406 -18.347 -77.155 96 HG13 VAL 176 HG11 VAL 176 22.929 -18.297 -75.337 97 HG12 VAL 176 HG12 VAL 176 22.962 -20.047 -75.129 98 HG11 VAL 176 HG13 VAL 176 22.083 -19.336 -76.481 99 HG21 VAL 176 HG21 VAL 176 26.202 -20.186 -76.506 100 HG23 VAL 176 HG22 VAL 176 25.147 -20.504 -75.135 101 HG22 VAL 176 HG23 VAL 176 25.868 -18.907 -75.344 102 H LEU 177 H LEU 177 25.081 -22.580 -78.344 103 HA LEU 177 HA LEU 177 23.018 -24.198 -77.027 104 HB2 LEU 177 HB2 LEU 177 25.627 -25.198 -78.166 105 HB3 LEU 177 HB3 LEU 177 24.114 -26.083 -77.978 106 HG LEU 177 HG LEU 177 23.139 -24.240 -79.568 107 HD12 LEU 177 HD11 LEU 177 25.340 -23.872 -81.179 108 HD11 LEU 177 HD12 LEU 177 26.032 -23.707 -79.565 109 HD13 LEU 177 HD13 LEU 177 24.697 -22.669 -80.063 110 HD23 LEU 177 HD21 LEU 177 24.030 -25.560 -81.579 111 HD22 LEU 177 HD22 LEU 177 23.244 -26.520 -80.323 112 HD21 LEU 177 HD23 LEU 177 25.004 -26.471 -80.438 113 H GLY 178 H GLY 178 25.390 -22.463 -75.701 114 HA3 GLY 178 HA2 GLY 178 25.316 -23.683 -73.199 115 HA2 GLY 178 HA3 GLY 178 26.687 -24.433 -74.020 116 H PHE 179 H PHE 179 27.374 -23.047 -71.850 117 HA PHE 179 HA PHE 179 28.608 -20.557 -72.959 118 HB2 PHE 179 HB2 PHE 179 27.005 -19.573 -71.562 119 HB3 PHE 179 HB3 PHE 179 27.013 -20.930 -70.439 120 HD1 PHE 179 HD1 PHE 179 28.566 -17.750 -71.356 121 HD2 PHE 179 HD2 PHE 179 28.886 -21.210 -68.811 122 HE1 PHE 179 HE1 PHE 179 30.173 -16.530 -69.904 123 HE2 PHE 179 HE2 PHE 179 30.508 -19.987 -67.365 124 HZ PHE 179 HZ PHE 179 31.149 -17.653 -67.912 125 H ILE 180 H ILE 180 30.784 -20.579 -72.647 126 HA ILE 180 HA ILE 180 31.896 -22.246 -70.433 127 HB ILE 180 HB ILE 180 32.688 -23.667 -71.994 128 HG12 ILE 180 HG12 ILE 180 34.293 -21.291 -72.989 129 HG13 ILE 180 HG13 ILE 180 34.682 -22.176 -71.518 130 HG22 ILE 180 HG21 ILE 180 32.159 -21.507 -74.067 131 HG21 ILE 180 HG22 ILE 180 30.995 -22.732 -73.559 132 HG23 ILE 180 HG23 ILE 180 32.473 -23.214 -74.398 133 HD13 ILE 180 HD11 ILE 180 35.369 -24.092 -72.684 134 HD12 ILE 180 HD12 ILE 180 35.846 -22.847 -73.839 135 HD11 ILE 180 HD13 ILE 180 34.345 -23.736 -74.074 136 H THR 181 H THR 181 33.223 -21.059 -69.175 137 HA THR 181 HA THR 181 34.825 -18.903 -70.382 138 HB THR 181 HB THR 181 33.007 -18.334 -68.035 139 HG1 THR 181 HG1 THR 181 32.583 -17.022 -70.400 140 HG21 THR 181 HG21 THR 181 35.304 -17.049 -69.069 141 HG23 THR 181 HG22 THR 181 34.201 -16.450 -67.831 142 HG22 THR 181 HG23 THR 181 33.920 -16.063 -69.527 143 H ASP 182 H ASP 182 36.413 -18.000 -68.891 144 HA ASP 182 HA ASP 182 37.285 -20.056 -66.888 145 HB2 ASP 182 HB2 ASP 182 39.560 -19.114 -67.165 146 HB3 ASP 182 HB3 ASP 182 38.897 -19.540 -68.734 147 H ALA 183 H ALA 183 35.242 -17.786 -66.431 148 HA ALA 183 HA ALA 183 36.365 -15.695 -64.946 149 HB3 ALA 183 HB1 ALA 183 33.837 -16.437 -65.639 150 HB2 ALA 183 HB2 ALA 183 34.186 -15.203 -64.429 151 HB1 ALA 183 HB3 ALA 183 33.824 -16.853 -63.929 152 H GLY 184 H GLY 184 35.251 -15.805 -62.398 153 HA3 GLY 184 HA2 GLY 184 37.309 -17.248 -60.952 154 HA2 GLY 184 HA3 GLY 184 36.010 -16.298 -60.232 155 H GLY 185 H GLY 185 33.704 -17.548 -60.973 156 HA3 GLY 185 HA2 GLY 185 33.652 -20.358 -61.059 157 HA2 GLY 185 HA3 GLY 185 33.767 -19.933 -59.353 158 H ARG 186 H ARG 186 31.701 -20.589 -58.775 159 HA ARG 186 HA ARG 186 29.317 -19.974 -60.236 160 HB2 ARG 186 HB2 ARG 186 29.624 -21.710 -58.389 161 HB3 ARG 186 HB3 ARG 186 29.491 -20.384 -57.251 162 HG2 ARG 186 HG2 ARG 186 27.259 -19.780 -58.160 163 HG3 ARG 186 HG3 ARG 186 27.357 -21.087 -59.321 164 HD2 ARG 186 HD2 ARG 186 25.955 -21.762 -57.411 165 HD3 ARG 186 HD3 ARG 186 27.403 -22.744 -57.406 166 HE ARG 186 HE ARG 186 27.823 -20.409 -55.783 167 HH21 ARG 186 HH11 ARG 186 27.710 -20.580 -53.545 168 HH22 ARG 186 HH12 ARG 186 26.831 -21.887 -52.834 169 HH11 ARG 186 HH21 ARG 186 25.904 -23.261 -55.856 170 HH12 ARG 186 HH22 ARG 186 25.805 -23.396 -54.140 171 H THR 187 H THR 187 31.238 -18.156 -57.966 172 HA THR 187 HA THR 187 29.230 -16.289 -57.144 173 HB THR 187 HB THR 187 31.155 -14.824 -56.557 174 HG1 THR 187 HG1 THR 187 32.325 -15.795 -58.508 175 HG22 THR 187 HG21 THR 187 31.584 -17.746 -55.880 176 HG21 THR 187 HG22 THR 187 30.463 -16.666 -55.052 177 HG23 THR 187 HG23 THR 187 32.202 -16.370 -54.965 178 H SER 188 H SER 188 30.194 -16.933 -60.193 179 HA SER 188 HA SER 188 30.300 -14.138 -61.161 180 HB2 SER 188 HB2 SER 188 31.848 -15.592 -62.241 181 HB3 SER 188 HB3 SER 188 30.623 -16.838 -62.484 182 HG SER 188 HG SER 188 30.364 -14.242 -63.569 183 H HIS 189 H HIS 189 28.544 -13.097 -62.011 184 HA HIS 189 HA HIS 189 25.908 -13.853 -61.690 185 HB2 HIS 189 HB2 HIS 189 27.032 -11.640 -62.507 186 HB3 HIS 189 HB3 HIS 189 26.768 -12.293 -64.115 187 HD1 HIS 189 HD1 HIS 189 24.806 -11.337 -60.995 188 HD2 HIS 189 HD2 HIS 189 24.189 -11.939 -65.078 189 HE1 HIS 189 HE1 HIS 189 22.459 -10.523 -61.488 190 HE2 HIS 189 HE2 HIS 189 22.064 -10.884 -63.986 191 H THR 190 H THR 190 27.698 -14.167 -64.769 192 HA THR 190 HA THR 190 25.665 -15.463 -66.223 193 HB THR 190 HB THR 190 28.664 -15.801 -66.458 194 HG1 THR 190 HG1 THR 190 27.497 -13.697 -66.772 195 HG22 THR 190 HG21 THR 190 27.783 -16.321 -68.920 196 HG21 THR 190 HG22 THR 190 26.363 -16.874 -68.028 197 HG23 THR 190 HG23 THR 190 27.942 -17.596 -67.712 198 H SER 191 H SER 191 28.011 -16.889 -63.971 199 HA SER 191 HA SER 191 27.567 -19.618 -64.625 200 HB2 SER 191 HB2 SER 191 29.370 -18.822 -63.114 201 HB3 SER 191 HB3 SER 191 28.162 -18.442 -61.894 202 HG SER 191 HG SER 191 28.821 -20.975 -62.990 203 H ILE 192 H ILE 192 25.787 -17.490 -62.397 204 HA ILE 192 HA ILE 192 24.075 -19.500 -61.325 205 HB ILE 192 HB ILE 192 22.879 -17.745 -60.342 206 HG12 ILE 192 HG12 ILE 192 23.013 -15.403 -61.566 207 HG13 ILE 192 HG13 ILE 192 23.381 -16.399 -62.972 208 HG23 ILE 192 HG21 ILE 192 24.447 -16.055 -59.674 209 HG22 ILE 192 HG22 ILE 192 25.397 -16.255 -61.145 210 HG21 ILE 192 HG23 ILE 192 25.385 -17.527 -59.930 211 HD12 ILE 192 HD11 ILE 192 20.833 -16.003 -61.600 212 HD11 ILE 192 HD12 ILE 192 21.224 -17.712 -61.796 213 HD13 ILE 192 HD13 ILE 192 21.150 -16.656 -63.206 214 H MET 193 H MET 193 23.851 -17.487 -64.234 215 HA MET 193 HA MET 193 21.174 -18.143 -64.939 216 HB2 MET 193 HB2 MET 193 23.590 -17.254 -66.481 217 HB3 MET 193 HB3 MET 193 22.144 -17.763 -67.348 218 HG2 MET 193 HG2 MET 193 22.049 -15.751 -65.094 219 HG3 MET 193 HG3 MET 193 22.287 -15.275 -66.772 220 HE3 MET 193 HE1 MET 193 19.390 -15.557 -64.184 221 HE2 MET 193 HE2 MET 193 18.586 -14.544 -65.387 222 HE1 MET 193 HE3 MET 193 20.263 -14.233 -64.944 223 H ALA 194 H ALA 194 24.233 -19.870 -65.690 224 HA ALA 194 HA ALA 194 23.105 -21.792 -67.445 225 HB2 ALA 194 HB1 ALA 194 25.008 -23.284 -66.559 226 HB3 ALA 194 HB2 ALA 194 25.433 -21.931 -65.510 227 HB1 ALA 194 HB3 ALA 194 25.493 -21.739 -67.262 228 H ARG 195 H ARG 195 23.384 -21.740 -63.909 229 HA ARG 195 HA ARG 195 22.287 -24.324 -63.421 230 HB2 ARG 195 HB2 ARG 195 23.380 -22.722 -61.748 231 HB3 ARG 195 HB3 ARG 195 21.825 -21.893 -61.677 232 HG2 ARG 195 HG2 ARG 195 20.714 -23.951 -60.961 233 HG3 ARG 195 HG3 ARG 195 22.222 -24.849 -61.115 234 HD2 ARG 195 HD2 ARG 195 21.859 -24.283 -58.754 235 HD3 ARG 195 HD3 ARG 195 23.231 -23.360 -59.349 236 HE ARG 195 HE ARG 195 20.778 -21.862 -59.647 237 HH21 ARG 195 HH11 ARG 195 20.377 -20.212 -58.152 238 HH22 ARG 195 HH12 ARG 195 21.306 -20.142 -56.690 239 HH11 ARG 195 HH21 ARG 195 23.190 -22.952 -57.440 240 HH12 ARG 195 HH22 ARG 195 22.900 -21.692 -56.290 241 H SER 196 H SER 196 20.600 -21.161 -63.247 242 HA SER 196 HA SER 196 17.993 -22.245 -63.018 243 HB2 SER 196 HB2 SER 196 17.245 -19.974 -63.641 244 HB3 SER 196 HB3 SER 196 18.518 -19.936 -62.427 245 HG SER 196 HG SER 196 19.791 -18.991 -63.820 246 H LEU 197 H LEU 197 19.838 -21.291 -65.928 247 HA LEU 197 HA LEU 197 17.575 -21.676 -67.703 248 HB2 LEU 197 HB2 LEU 197 19.996 -20.483 -68.014 249 HB3 LEU 197 HB3 LEU 197 20.313 -22.026 -68.800 250 HG LEU 197 HG LEU 197 19.469 -20.408 -70.437 251 HD13 LEU 197 HD11 LEU 197 17.841 -21.799 -71.431 252 HD12 LEU 197 HD12 LEU 197 17.198 -22.305 -69.868 253 HD11 LEU 197 HD13 LEU 197 18.771 -22.892 -70.410 254 HD21 LEU 197 HD21 LEU 197 17.950 -19.395 -68.383 255 HD23 LEU 197 HD22 LEU 197 16.735 -20.281 -69.303 256 HD22 LEU 197 HD23 LEU 197 17.686 -19.016 -70.080 257 H GLU 198 H GLU 198 19.911 -23.769 -66.246 258 HA GLU 198 HA GLU 198 20.148 -26.064 -66.272 259 HB2 GLU 198 HB2 GLU 198 17.573 -25.975 -66.170 260 HB3 GLU 198 HB3 GLU 198 17.614 -26.260 -67.901 261 HG2 GLU 198 HG2 GLU 198 18.859 -28.336 -67.564 262 HG3 GLU 198 HG3 GLU 198 18.927 -28.035 -65.826 263 H LEU 199 H LEU 199 21.636 -24.750 -68.080 264 HA LEU 199 HA LEU 199 21.565 -26.548 -70.485 265 HB2 LEU 199 HB2 LEU 199 21.823 -24.777 -71.901 266 HB3 LEU 199 HB3 LEU 199 21.191 -23.814 -70.570 267 HG LEU 199 HG LEU 199 24.137 -24.410 -70.971 268 HD12 LEU 199 HD11 LEU 199 22.622 -21.869 -71.638 269 HD11 LEU 199 HD12 LEU 199 23.157 -23.053 -72.831 270 HD13 LEU 199 HD13 LEU 199 24.343 -22.167 -71.882 271 HD22 LEU 199 HD21 LEU 199 24.509 -23.218 -69.066 272 HD21 LEU 199 HD22 LEU 199 22.812 -23.542 -68.704 273 HD23 LEU 199 HD23 LEU 199 23.282 -22.019 -69.462 No H/Q in entry = 273 In of MODEL 1 1 HA PRO 200 HA PRO 200 25.592 -27.755 -68.978 2 HB2 PRO 200 HB2 PRO 200 26.875 -28.272 -71.423 3 HB3 PRO 200 HB3 PRO 200 25.866 -29.418 -70.528 4 HG2 PRO 200 HG2 PRO 200 25.193 -27.756 -72.896 5 HG3 PRO 200 HG3 PRO 200 24.605 -29.361 -72.438 6 HD2 PRO 200 HD2 PRO 200 23.094 -27.080 -72.134 7 HD3 PRO 200 HD3 PRO 200 22.911 -28.500 -71.073 8 H ALA 201 H ALA 201 27.475 -26.650 -68.413 9 HA ALA 201 HA ALA 201 28.799 -24.795 -70.203 10 HB1 ALA 201 HB1 ALA 201 27.976 -22.994 -68.132 11 HB3 ALA 201 HB2 ALA 201 26.530 -23.796 -68.746 12 HB2 ALA 201 HB3 ALA 201 27.588 -22.915 -69.850 13 H ILE 202 H ILE 202 30.731 -23.944 -69.338 14 HA ILE 202 HA ILE 202 31.511 -24.867 -66.592 15 HB ILE 202 HB ILE 202 32.728 -26.211 -68.245 16 HG12 ILE 202 HG12 ILE 202 34.473 -23.974 -67.167 17 HG13 ILE 202 HG13 ILE 202 33.965 -25.395 -66.255 18 HG21 ILE 202 HG21 ILE 202 33.449 -23.523 -69.460 19 HG23 ILE 202 HG22 ILE 202 32.514 -24.803 -70.224 20 HG22 ILE 202 HG23 ILE 202 34.223 -25.045 -69.903 21 HD13 ILE 202 HD11 ILE 202 35.286 -26.855 -67.543 22 HD12 ILE 202 HD12 ILE 202 36.316 -25.427 -67.418 23 HD11 ILE 202 HD13 ILE 202 35.393 -25.726 -68.888 24 H VAL 203 H VAL 203 32.818 -23.325 -65.409 25 HA VAL 203 HA VAL 203 33.064 -20.615 -66.694 26 HB VAL 203 HB VAL 203 31.164 -20.578 -65.166 27 HG13 VAL 203 HG11 VAL 203 31.454 -21.149 -62.795 28 HG12 VAL 203 HG12 VAL 203 33.142 -21.563 -63.085 29 HG11 VAL 203 HG13 VAL 203 31.858 -22.537 -63.805 30 HG22 VAL 203 HG21 VAL 203 31.826 -18.707 -63.869 31 HG21 VAL 203 HG22 VAL 203 32.934 -18.692 -65.240 32 HG23 VAL 203 HG23 VAL 203 33.470 -19.313 -63.677 33 H GLY 204 H GLY 204 34.610 -23.158 -65.045 34 HA3 GLY 204 HA2 GLY 204 36.834 -21.370 -64.125 35 HA2 GLY 204 HA3 GLY 204 36.478 -22.953 -63.442 36 H THR 205 H THR 205 36.334 -22.592 -66.910 37 HA THR 205 HA THR 205 37.990 -24.703 -67.552 38 HB THR 205 HB THR 205 37.414 -23.966 -69.607 39 HG1 THR 205 HG1 THR 205 38.901 -21.619 -69.246 40 HG21 THR 205 HG21 THR 205 36.814 -21.350 -68.215 41 HG23 THR 205 HG22 THR 205 35.659 -22.632 -68.585 42 HG22 THR 205 HG23 THR 205 36.388 -21.703 -69.888 43 H GLY 206 H GLY 206 39.026 -21.360 -66.979 44 HA3 GLY 206 HA2 GLY 206 41.113 -20.768 -65.918 45 HA2 GLY 206 HA3 GLY 206 41.733 -22.374 -66.286 46 H SER 207 H SER 207 41.433 -22.574 -69.033 47 HA SER 207 HA SER 207 42.395 -20.112 -70.313 48 HB2 SER 207 HB2 SER 207 44.587 -21.144 -70.968 49 HB3 SER 207 HB3 SER 207 44.453 -20.793 -69.249 50 HG SER 207 HG SER 207 44.782 -23.164 -70.514 51 H VAL 208 H VAL 208 40.204 -21.857 -70.901 52 HA VAL 208 HA VAL 208 41.007 -23.580 -73.123 53 HB VAL 208 HB VAL 208 38.523 -23.813 -73.475 54 HG11 VAL 208 HG11 VAL 208 39.509 -24.108 -70.618 55 HG13 VAL 208 HG12 VAL 208 39.665 -25.299 -71.904 56 HG12 VAL 208 HG13 VAL 208 38.070 -24.887 -71.281 57 HG21 VAL 208 HG21 VAL 208 38.555 -21.661 -71.358 58 HG23 VAL 208 HG22 VAL 208 37.182 -22.757 -71.499 59 HG22 VAL 208 HG23 VAL 208 37.623 -21.715 -72.852 60 H THR 209 H THR 209 39.530 -20.365 -72.798 61 HA THR 209 HA THR 209 38.986 -19.880 -75.532 62 HB THR 209 HB THR 209 38.676 -18.403 -73.304 63 HG1 THR 209 HG1 THR 209 37.501 -17.734 -74.925 64 HG23 THR 209 HG21 THR 209 40.119 -16.507 -73.239 65 HG22 THR 209 HG22 THR 209 40.880 -16.910 -74.778 66 HG21 THR 209 HG23 THR 209 41.197 -17.895 -73.345 67 H SER 210 H SER 210 42.085 -19.760 -73.843 68 HA SER 210 HA SER 210 43.448 -18.412 -76.041 69 HB2 SER 210 HB2 SER 210 45.502 -18.989 -74.789 70 HB3 SER 210 HB3 SER 210 44.302 -18.249 -73.734 71 HG SER 210 HG SER 210 43.655 -20.466 -73.241 72 H GLN 211 H GLN 211 42.359 -21.566 -75.462 73 HA GLN 211 HA GLN 211 44.345 -22.779 -77.326 74 HB2 GLN 211 HB2 GLN 211 43.837 -23.867 -75.109 75 HB3 GLN 211 HB3 GLN 211 42.190 -24.130 -75.676 76 HG2 GLN 211 HG2 GLN 211 43.549 -26.183 -76.064 77 HG3 GLN 211 HG3 GLN 211 43.100 -25.465 -77.607 78 HE21 GLN 211 HE21 GLN 211 45.015 -26.539 -78.579 79 HE22 GLN 211 HE22 GLN 211 46.561 -25.881 -78.347 80 H VAL 212 H VAL 212 41.169 -21.516 -77.232 81 HA VAL 212 HA VAL 212 40.340 -23.112 -79.637 82 HB VAL 212 HB VAL 212 38.669 -21.444 -77.729 83 HG12 VAL 212 HG11 VAL 212 37.772 -23.296 -79.948 84 HG11 VAL 212 HG12 VAL 212 37.787 -21.539 -80.088 85 HG13 VAL 212 HG13 VAL 212 36.751 -22.312 -78.906 86 HG22 VAL 212 HG21 VAL 212 39.421 -23.442 -76.656 87 HG21 VAL 212 HG22 VAL 212 39.094 -24.410 -78.092 88 HG23 VAL 212 HG23 VAL 212 37.755 -23.728 -77.163 89 H LYS 213 H LYS 213 39.795 -22.120 -81.527 90 HA LYS 213 HA LYS 213 40.182 -19.151 -81.734 91 HB2 LYS 213 HB2 LYS 213 40.568 -21.396 -83.754 92 HB3 LYS 213 HB3 LYS 213 40.421 -19.711 -84.239 93 HG2 LYS 213 HG2 LYS 213 42.754 -20.091 -84.085 94 HG3 LYS 213 HG3 LYS 213 42.335 -19.214 -82.613 95 HD2 LYS 213 HD2 LYS 213 42.534 -21.114 -81.257 96 HD3 LYS 213 HD3 LYS 213 42.340 -22.234 -82.602 97 HE2 LYS 213 HE2 LYS 213 44.590 -22.326 -82.897 98 HE3 LYS 213 HE3 LYS 213 44.701 -20.573 -83.038 99 HZ2 LYS 213 HZ1 LYS 213 45.345 -22.239 -80.826 100 HZ1 LYS 213 HZ2 LYS 213 44.217 -21.050 -80.378 101 HZ3 LYS 213 HZ3 LYS 213 45.696 -20.597 -81.077 102 H ASN 214 H ASN 214 38.490 -18.112 -83.156 103 HA ASN 214 HA ASN 214 35.883 -19.168 -82.641 104 HB2 ASN 214 HB2 ASN 214 35.032 -17.465 -84.123 105 HB3 ASN 214 HB3 ASN 214 36.371 -16.762 -83.220 106 HD21 ASN 214 HD21 ASN 214 35.752 -15.506 -85.590 107 HD22 ASN 214 HD22 ASN 214 36.899 -15.861 -86.787 108 H ASP 215 H ASP 215 34.413 -20.168 -84.082 109 HA ASP 215 HA ASP 215 33.686 -21.530 -85.819 110 HB2 ASP 215 HB2 ASP 215 35.907 -20.085 -87.087 111 HB3 ASP 215 HB3 ASP 215 35.788 -21.721 -87.698 112 H ASP 216 H ASP 216 35.883 -22.262 -83.643 113 HA ASP 216 HA ASP 216 36.949 -24.737 -84.816 114 HB2 ASP 216 HB2 ASP 216 37.284 -23.226 -82.306 115 HB3 ASP 216 HB3 ASP 216 37.221 -24.959 -82.029 116 H TYR 217 H TYR 217 36.131 -26.812 -84.413 117 HA TYR 217 HA TYR 217 33.308 -26.894 -83.473 118 HB2 TYR 217 HB2 TYR 217 34.029 -28.044 -85.616 119 HB3 TYR 217 HB3 TYR 217 34.972 -29.160 -84.627 120 HD1 TYR 217 HD1 TYR 217 31.604 -28.145 -85.684 121 HD2 TYR 217 HD2 TYR 217 33.842 -30.708 -83.038 122 HE1 TYR 217 HE1 TYR 217 29.564 -29.512 -85.280 123 HE2 TYR 217 HE2 TYR 217 31.805 -32.074 -82.638 124 HH TYR 217 HH TYR 217 29.058 -31.901 -84.562 125 H LEU 218 H LEU 218 32.925 -27.427 -81.372 126 HA LEU 218 HA LEU 218 34.951 -29.130 -79.929 127 HB2 LEU 218 HB2 LEU 218 33.367 -26.806 -78.800 128 HB3 LEU 218 HB3 LEU 218 34.537 -27.788 -77.926 129 HG LEU 218 HG LEU 218 35.162 -26.074 -80.343 130 HD12 LEU 218 HD11 LEU 218 35.803 -25.615 -77.420 131 HD11 LEU 218 HD12 LEU 218 34.516 -24.797 -78.309 132 HD13 LEU 218 HD13 LEU 218 36.197 -24.551 -78.765 133 HD22 LEU 218 HD21 LEU 218 36.876 -27.632 -80.369 134 HD21 LEU 218 HD22 LEU 218 36.762 -27.966 -78.641 135 HD23 LEU 218 HD23 LEU 218 37.555 -26.495 -79.208 136 H ILE 219 H ILE 219 34.099 -30.593 -78.411 137 HA ILE 219 HA ILE 219 31.092 -30.795 -78.331 138 HB ILE 219 HB ILE 219 33.113 -33.051 -78.085 139 HG12 ILE 219 HG12 ILE 219 31.151 -32.410 -80.311 140 HG13 ILE 219 HG13 ILE 219 32.880 -32.100 -80.397 141 HG22 ILE 219 HG21 ILE 219 30.085 -33.043 -78.219 142 HG21 ILE 219 HG22 ILE 219 31.036 -33.352 -76.768 143 HG23 ILE 219 HG23 ILE 219 31.106 -34.478 -78.119 144 HD12 ILE 219 HD11 ILE 219 31.428 -34.729 -80.406 145 HD11 ILE 219 HD12 ILE 219 33.074 -34.665 -79.771 146 HD13 ILE 219 HD13 ILE 219 32.743 -34.186 -81.435 147 H LEU 220 H LEU 220 30.301 -30.449 -76.300 148 HA LEU 220 HA LEU 220 32.245 -30.294 -74.052 149 HB2 LEU 220 HB2 LEU 220 30.932 -28.316 -74.395 150 HB3 LEU 220 HB3 LEU 220 29.444 -29.246 -74.524 151 HG LEU 220 HG LEU 220 29.573 -29.842 -72.159 152 HD12 LEU 220 HD11 LEU 220 31.400 -28.634 -70.797 153 HD11 LEU 220 HD12 LEU 220 32.230 -28.416 -72.341 154 HD13 LEU 220 HD13 LEU 220 31.903 -30.043 -71.736 155 HD22 LEU 220 HD21 LEU 220 29.144 -27.654 -71.231 156 HD21 LEU 220 HD22 LEU 220 28.603 -27.620 -72.911 157 HD23 LEU 220 HD23 LEU 220 30.137 -26.877 -72.466 158 H ASP 221 H ASP 221 32.379 -32.057 -72.766 159 HA ASP 221 HA ASP 221 30.334 -34.137 -72.819 160 HB2 ASP 221 HB2 ASP 221 32.751 -33.793 -71.001 161 HB3 ASP 221 HB3 ASP 221 31.753 -35.246 -71.096 162 H ALA 222 H ALA 222 31.454 -31.729 -70.460 163 HA ALA 222 HA ALA 222 30.446 -30.970 -68.477 164 HB1 ALA 222 HB1 ALA 222 27.712 -31.087 -68.971 165 HB3 ALA 222 HB2 ALA 222 28.393 -31.087 -70.596 166 HB2 ALA 222 HB3 ALA 222 28.775 -29.775 -69.488 167 H VAL 223 H VAL 223 30.674 -33.999 -69.172 168 HA VAL 223 HA VAL 223 29.094 -34.956 -66.813 169 HB VAL 223 HB VAL 223 29.260 -36.089 -69.587 170 HG11 VAL 223 HG11 VAL 223 29.265 -37.670 -67.013 171 HG13 VAL 223 HG12 VAL 223 30.283 -37.892 -68.439 172 HG12 VAL 223 HG13 VAL 223 28.572 -38.323 -68.498 173 HG21 VAL 223 HG21 VAL 223 27.240 -34.924 -68.529 174 HG23 VAL 223 HG22 VAL 223 27.110 -36.322 -67.467 175 HG22 VAL 223 HG23 VAL 223 26.933 -36.522 -69.210 176 H ASN 224 H ASN 224 31.797 -35.564 -69.038 177 HA ASN 224 HA ASN 224 33.293 -36.929 -66.833 178 HB2 ASN 224 HB2 ASN 224 33.958 -36.646 -69.791 179 HB3 ASN 224 HB3 ASN 224 34.926 -37.524 -68.611 180 HD21 ASN 224 HD21 ASN 224 33.056 -38.952 -67.160 181 HD22 ASN 224 HD22 ASN 224 32.173 -39.993 -68.174 182 H ASN 225 H ASN 225 32.635 -33.954 -67.935 183 HA ASN 225 HA ASN 225 33.636 -31.865 -67.687 184 HB2 ASN 225 HB2 ASN 225 34.089 -32.991 -65.393 185 HB3 ASN 225 HB3 ASN 225 35.742 -33.191 -65.977 186 HD21 ASN 225 HD21 ASN 225 33.232 -30.684 -65.406 187 HD22 ASN 225 HD22 ASN 225 34.328 -29.407 -65.174 188 H GLN 226 H GLN 226 34.325 -33.197 -70.011 189 HA GLN 226 HA GLN 226 37.176 -32.327 -70.391 190 HB2 GLN 226 HB2 GLN 226 35.880 -34.879 -71.397 191 HB3 GLN 226 HB3 GLN 226 37.418 -34.256 -71.999 192 HG2 GLN 226 HG2 GLN 226 38.346 -34.364 -69.703 193 HG3 GLN 226 HG3 GLN 226 36.812 -35.013 -69.122 194 HE21 GLN 226 HE21 GLN 226 38.745 -36.776 -68.613 195 HE22 GLN 226 HE22 GLN 226 38.834 -38.018 -69.766 196 H VAL 227 H VAL 227 37.647 -31.659 -72.571 197 HA VAL 227 HA VAL 227 35.245 -31.107 -74.267 198 HB VAL 227 HB VAL 227 37.652 -29.307 -73.838 199 HG12 VAL 227 HG11 VAL 227 36.245 -27.723 -75.243 200 HG11 VAL 227 HG12 VAL 227 35.224 -29.104 -75.639 201 HG13 VAL 227 HG13 VAL 227 36.920 -29.095 -76.119 202 HG22 VAL 227 HG21 VAL 227 36.324 -28.000 -72.470 203 HG21 VAL 227 HG22 VAL 227 35.598 -29.570 -72.128 204 HG23 VAL 227 HG23 VAL 227 34.833 -28.478 -73.286 205 H TYR 228 H TYR 228 35.457 -31.857 -76.325 206 HA TYR 228 HA TYR 228 38.130 -32.908 -77.139 207 HB2 TYR 228 HB2 TYR 228 35.333 -33.570 -78.090 208 HB3 TYR 228 HB3 TYR 228 36.790 -34.158 -78.891 209 HD1 TYR 228 HD1 TYR 228 34.694 -34.378 -75.882 210 HD2 TYR 228 HD2 TYR 228 38.301 -35.742 -77.774 211 HE1 TYR 228 HE1 TYR 228 34.877 -36.202 -74.212 212 HE2 TYR 228 HE2 TYR 228 38.486 -37.567 -76.105 213 HH TYR 228 HH TYR 228 37.659 -38.430 -74.224 214 H VAL 229 H VAL 229 39.237 -31.760 -78.591 215 HA VAL 229 HA VAL 229 37.846 -29.671 -80.175 216 HB VAL 229 HB VAL 229 40.815 -30.055 -79.706 217 HG12 VAL 229 HG11 VAL 229 40.780 -27.591 -80.425 218 HG11 VAL 229 HG12 VAL 229 39.146 -27.903 -81.015 219 HG13 VAL 229 HG13 VAL 229 40.512 -28.785 -81.695 220 HG22 VAL 229 HG21 VAL 229 40.666 -28.586 -77.909 221 HG21 VAL 229 HG22 VAL 229 39.142 -29.456 -77.738 222 HG23 VAL 229 HG23 VAL 229 39.168 -27.861 -78.493 223 H ASN 230 H ASN 230 37.271 -30.296 -82.217 224 HA ASN 230 HA ASN 230 37.369 -31.317 -84.313 225 HB2 ASN 230 HB2 ASN 230 39.364 -29.783 -84.416 226 HB3 ASN 230 HB3 ASN 230 40.367 -31.150 -83.925 227 HD21 ASN 230 HD21 ASN 230 40.999 -30.124 -86.382 228 HD22 ASN 230 HD22 ASN 230 40.428 -31.126 -87.628 No H/Q in entry = 228 In of MODEL 1 1 HA PRO 231 HA PRO 231 38.908 -35.361 -82.340 2 HB2 PRO 231 HB2 PRO 231 36.700 -36.212 -81.012 3 HB3 PRO 231 HB3 PRO 231 37.911 -35.148 -80.267 4 HG2 PRO 231 HG2 PRO 231 35.240 -34.483 -81.390 5 HG3 PRO 231 HG3 PRO 231 36.062 -33.827 -79.966 6 HD2 PRO 231 HD2 PRO 231 35.949 -32.549 -82.424 7 HD3 PRO 231 HD3 PRO 231 37.192 -32.243 -81.190 8 H THR 232 H THR 232 38.466 -37.419 -83.183 9 HA THR 232 HA THR 232 37.184 -37.571 -85.670 10 HB THR 232 HB THR 232 38.151 -39.617 -83.697 11 HG1 THR 232 HG1 THR 232 39.808 -39.175 -84.895 12 HG22 THR 232 HG21 THR 232 37.601 -41.328 -85.493 13 HG21 THR 232 HG22 THR 232 36.558 -40.103 -86.220 14 HG23 THR 232 HG23 THR 232 36.216 -40.703 -84.596 15 H ASN 233 H ASN 233 35.594 -39.821 -85.668 16 HA ASN 233 HA ASN 233 33.125 -38.736 -84.568 17 HB2 ASN 233 HB2 ASN 233 33.867 -40.586 -86.716 18 HB3 ASN 233 HB3 ASN 233 32.460 -41.111 -85.789 19 HD21 ASN 233 HD21 ASN 233 33.528 -38.926 -88.235 20 HD22 ASN 233 HD22 ASN 233 32.095 -38.021 -88.356 21 H GLU 234 H GLU 234 35.500 -40.995 -83.669 22 HA GLU 234 HA GLU 234 33.887 -42.901 -82.310 23 HB2 GLU 234 HB2 GLU 234 35.879 -43.794 -81.505 24 HB3 GLU 234 HB3 GLU 234 36.414 -42.991 -82.983 25 HG2 GLU 234 HG2 GLU 234 36.977 -40.970 -81.605 26 HG3 GLU 234 HG3 GLU 234 36.598 -41.904 -80.160 27 H VAL 235 H VAL 235 35.121 -39.738 -81.484 28 HA VAL 235 HA VAL 235 34.310 -40.021 -78.684 29 HB VAL 235 HB VAL 235 35.681 -37.780 -80.201 30 HG11 VAL 235 HG11 VAL 235 34.069 -37.299 -78.133 31 HG13 VAL 235 HG12 VAL 235 35.615 -36.468 -78.301 32 HG12 VAL 235 HG13 VAL 235 35.474 -37.852 -77.216 33 HG22 VAL 235 HG21 VAL 235 37.606 -38.407 -78.788 34 HG21 VAL 235 HG22 VAL 235 37.069 -39.782 -79.749 35 HG23 VAL 235 HG23 VAL 235 36.647 -39.685 -78.041 36 H ILE 236 H ILE 236 33.510 -38.219 -81.657 37 HA ILE 236 HA ILE 236 31.430 -36.609 -80.606 38 HB ILE 236 HB ILE 236 31.543 -37.833 -83.382 39 HG12 ILE 236 HG12 ILE 236 32.846 -35.295 -82.333 40 HG13 ILE 236 HG13 ILE 236 33.701 -36.758 -82.826 41 HG23 ILE 236 HG21 ILE 236 29.439 -36.720 -82.866 42 HG22 ILE 236 HG22 ILE 236 30.367 -35.699 -83.963 43 HG21 ILE 236 HG23 ILE 236 30.296 -35.311 -82.245 44 HD11 ILE 236 HD11 ILE 236 32.452 -36.462 -85.085 45 HD13 ILE 236 HD12 ILE 236 33.815 -35.395 -84.745 46 HD12 ILE 236 HD13 ILE 236 32.165 -34.811 -84.540 47 H ASP 237 H ASP 237 31.806 -39.948 -81.187 48 HA ASP 237 HA ASP 237 28.960 -40.440 -81.213 49 HB2 ASP 237 HB2 ASP 237 31.355 -42.136 -81.625 50 HB3 ASP 237 HB3 ASP 237 29.828 -42.894 -81.203 51 H LYS 238 H LYS 238 31.589 -41.454 -79.025 52 HA LYS 238 HA LYS 238 30.251 -42.602 -76.908 53 HB2 LYS 238 HB2 LYS 238 32.471 -40.567 -76.790 54 HB3 LYS 238 HB3 LYS 238 31.936 -41.517 -75.429 55 HG2 LYS 238 HG2 LYS 238 32.698 -43.552 -76.568 56 HG3 LYS 238 HG3 LYS 238 33.234 -42.571 -77.936 57 HD2 LYS 238 HD2 LYS 238 34.955 -41.576 -76.735 58 HD3 LYS 238 HD3 LYS 238 34.151 -41.807 -75.192 59 HE2 LYS 238 HE2 LYS 238 34.674 -44.395 -76.158 60 HE3 LYS 238 HE3 LYS 238 36.136 -43.457 -76.478 61 HZ3 LYS 238 HZ1 LYS 238 36.564 -43.886 -74.324 62 HZ2 LYS 238 HZ2 LYS 238 34.943 -44.213 -73.945 63 HZ1 LYS 238 HZ3 LYS 238 35.491 -42.607 -74.023 64 H MET 239 H MET 239 30.922 -39.162 -77.367 65 HA MET 239 HA MET 239 29.555 -38.110 -75.187 66 HB2 MET 239 HB2 MET 239 30.230 -36.969 -77.882 67 HB3 MET 239 HB3 MET 239 29.418 -36.032 -76.643 68 HG2 MET 239 HG2 MET 239 32.203 -37.117 -76.677 69 HG3 MET 239 HG3 MET 239 31.652 -35.470 -76.388 70 HE1 MET 239 HE1 MET 239 30.177 -34.655 -74.184 71 HE3 MET 239 HE2 MET 239 30.009 -35.539 -72.667 72 HE2 MET 239 HE3 MET 239 29.077 -36.041 -74.075 73 H ARG 240 H ARG 240 28.416 -38.663 -78.510 74 HA ARG 240 HA ARG 240 25.893 -37.551 -78.133 75 HB2 ARG 240 HB2 ARG 240 27.233 -38.766 -80.227 76 HB3 ARG 240 HB3 ARG 240 25.863 -39.825 -79.944 77 HG2 ARG 240 HG2 ARG 240 24.991 -38.321 -81.487 78 HG3 ARG 240 HG3 ARG 240 24.465 -37.617 -79.968 79 HD2 ARG 240 HD2 ARG 240 26.620 -36.183 -80.110 80 HD3 ARG 240 HD3 ARG 240 26.711 -36.704 -81.780 81 HE ARG 240 HE ARG 240 24.163 -35.553 -81.145 82 HH21 ARG 240 HH11 ARG 240 23.612 -33.494 -82.008 83 HH22 ARG 240 HH12 ARG 240 24.869 -32.483 -82.641 84 HH11 ARG 240 HH21 ARG 240 27.446 -34.718 -81.982 85 HH12 ARG 240 HH22 ARG 240 27.012 -33.169 -82.626 86 H ALA 241 H ALA 241 27.160 -40.701 -77.287 87 HA ALA 241 HA ALA 241 24.584 -41.777 -76.528 88 HB1 ALA 241 HB1 ALA 241 26.640 -43.146 -77.257 89 HB2 ALA 241 HB2 ALA 241 25.701 -43.743 -75.887 90 HB3 ALA 241 HB3 ALA 241 27.224 -42.894 -75.614 91 H VAL 242 H VAL 242 27.144 -39.999 -75.005 92 HA VAL 242 HA VAL 242 26.401 -40.509 -72.299 93 HB VAL 242 HB VAL 242 27.940 -38.167 -73.461 94 HG11 VAL 242 HG11 VAL 242 27.037 -37.655 -71.273 95 HG13 VAL 242 HG12 VAL 242 28.792 -37.837 -71.211 96 HG12 VAL 242 HG13 VAL 242 27.745 -39.134 -70.627 97 HG21 VAL 242 HG21 VAL 242 28.708 -40.771 -73.497 98 HG23 VAL 242 HG22 VAL 242 29.338 -40.266 -71.929 99 HG22 VAL 242 HG23 VAL 242 29.833 -39.415 -73.393 100 H GLN 243 H GLN 243 25.622 -38.178 -74.709 101 HA GLN 243 HA GLN 243 23.888 -36.434 -73.330 102 HB2 GLN 243 HB2 GLN 243 24.282 -35.475 -75.265 103 HB3 GLN 243 HB3 GLN 243 24.859 -36.973 -75.959 104 HG2 GLN 243 HG2 GLN 243 23.073 -36.089 -77.240 105 HG3 GLN 243 HG3 GLN 243 22.566 -37.583 -76.457 106 HE21 GLN 243 HE21 GLN 243 20.356 -37.143 -76.372 107 HE22 GLN 243 HE22 GLN 243 19.696 -35.898 -75.427 108 H GLU 244 H GLU 244 23.363 -39.498 -75.017 109 HA GLU 244 HA GLU 244 20.531 -39.533 -74.869 110 HB2 GLU 244 HB2 GLU 244 21.802 -41.107 -76.255 111 HB3 GLU 244 HB3 GLU 244 22.462 -41.850 -74.811 112 HG2 GLU 244 HG2 GLU 244 20.680 -43.275 -75.639 113 HG3 GLU 244 HG3 GLU 244 20.116 -42.530 -74.153 114 H GLN 245 H GLN 245 23.023 -40.664 -72.585 115 HA GLN 245 HA GLN 245 21.266 -41.845 -70.720 116 HB2 GLN 245 HB2 GLN 245 23.944 -40.513 -70.288 117 HB3 GLN 245 HB3 GLN 245 23.105 -41.462 -69.076 118 HG2 GLN 245 HG2 GLN 245 24.064 -42.518 -71.737 119 HG3 GLN 245 HG3 GLN 245 24.922 -42.695 -70.211 120 HE21 GLN 245 HE21 GLN 245 23.141 -43.436 -68.373 121 HE22 GLN 245 HE22 GLN 245 22.307 -44.850 -68.798 122 H VAL 246 H VAL 246 22.709 -38.663 -70.956 123 HA VAL 246 HA VAL 246 21.680 -37.390 -68.742 124 HB VAL 246 HB VAL 246 22.328 -35.419 -69.739 125 HG12 VAL 246 HG11 VAL 246 24.100 -36.785 -71.620 126 HG11 VAL 246 HG12 VAL 246 24.050 -37.580 -70.048 127 HG13 VAL 246 HG13 VAL 246 24.492 -35.876 -70.160 128 HG23 VAL 246 HG21 VAL 246 22.469 -35.261 -72.308 129 HG22 VAL 246 HG22 VAL 246 20.883 -35.208 -71.540 130 HG21 VAL 246 HG23 VAL 246 21.446 -36.700 -72.296 131 H ALA 247 H ALA 247 20.219 -37.706 -71.962 132 HA ALA 247 HA ALA 247 17.847 -36.305 -71.340 133 HB3 ALA 247 HB1 ALA 247 16.969 -37.320 -73.418 134 HB1 ALA 247 HB2 ALA 247 18.446 -38.276 -73.525 135 HB2 ALA 247 HB3 ALA 247 18.525 -36.517 -73.610 136 H SER 248 H SER 248 18.633 -39.746 -71.061 137 HA SER 248 HA SER 248 15.997 -40.635 -70.418 138 HB2 SER 248 HB2 SER 248 18.645 -41.834 -69.612 139 HB3 SER 248 HB3 SER 248 17.078 -42.624 -69.533 140 HG SER 248 HG SER 248 18.193 -41.589 -71.909 141 H GLU 249 H GLU 249 18.781 -39.487 -68.553 142 HA GLU 249 HA GLU 249 17.778 -40.004 -65.991 143 HB2 GLU 249 HB2 GLU 249 20.079 -39.119 -66.631 144 HB3 GLU 249 HB3 GLU 249 19.330 -37.532 -66.659 145 HG2 GLU 249 HG2 GLU 249 20.283 -37.791 -64.503 146 HG3 GLU 249 HG3 GLU 249 18.546 -37.961 -64.308 147 H LYS 250 H LYS 250 17.204 -37.256 -68.184 148 HA LYS 250 HA LYS 250 15.638 -35.771 -66.353 149 HB2 LYS 250 HB2 LYS 250 16.460 -34.793 -68.478 150 HB3 LYS 250 HB3 LYS 250 15.346 -35.813 -69.361 151 HG2 LYS 250 HG2 LYS 250 13.470 -34.683 -68.297 152 HG3 LYS 250 HG3 LYS 250 14.587 -33.684 -67.379 153 HD2 LYS 250 HD2 LYS 250 15.473 -32.771 -69.500 154 HD3 LYS 250 HD3 LYS 250 14.287 -33.733 -70.383 155 HE2 LYS 250 HE2 LYS 250 13.599 -31.723 -68.245 156 HE3 LYS 250 HE3 LYS 250 13.555 -31.391 -69.974 157 HZ3 LYS 250 HZ1 LYS 250 11.503 -32.123 -69.891 158 HZ2 LYS 250 HZ2 LYS 250 11.695 -32.768 -68.333 159 HZ1 LYS 250 HZ3 LYS 250 12.144 -33.680 -69.697 160 H ALA 251 H ALA 251 14.739 -37.946 -68.981 161 HA ALA 251 HA ALA 251 12.031 -37.995 -68.668 162 HB3 ALA 251 HB1 ALA 251 12.012 -40.096 -69.784 163 HB2 ALA 251 HB2 ALA 251 13.701 -40.379 -69.362 164 HB1 ALA 251 HB3 ALA 251 13.275 -39.079 -70.477 165 H GLU 252 H GLU 252 14.359 -39.907 -66.773 166 HA GLU 252 HA GLU 252 12.296 -41.361 -65.397 167 HB2 GLU 252 HB2 GLU 252 15.211 -40.952 -64.764 168 HB3 GLU 252 HB3 GLU 252 14.147 -41.999 -63.845 169 HG2 GLU 252 HG2 GLU 252 14.695 -42.304 -66.805 170 HG3 GLU 252 HG3 GLU 252 15.548 -43.186 -65.550 171 H LEU 253 H LEU 253 14.455 -38.707 -64.377 172 HA LEU 253 HA LEU 253 13.384 -38.207 -61.844 173 HB2 LEU 253 HB2 LEU 253 14.896 -36.611 -63.856 174 HB3 LEU 253 HB3 LEU 253 14.125 -35.746 -62.527 175 HG LEU 253 HG LEU 253 15.244 -37.351 -60.934 176 HD13 LEU 253 HD11 LEU 253 17.052 -38.740 -61.740 177 HD12 LEU 253 HD12 LEU 253 16.872 -38.105 -63.373 178 HD11 LEU 253 HD13 LEU 253 15.614 -39.128 -62.683 179 HD21 LEU 253 HD21 LEU 253 16.610 -35.365 -62.672 180 HD23 LEU 253 HD22 LEU 253 17.658 -36.401 -61.703 181 HD22 LEU 253 HD23 LEU 253 16.440 -35.396 -60.917 182 H ALA 254 H ALA 254 12.313 -37.151 -65.007 183 HA ALA 254 HA ALA 254 10.464 -35.210 -64.520 184 HB2 ALA 254 HB1 ALA 254 9.402 -35.869 -66.543 185 HB1 ALA 254 HB2 ALA 254 9.980 -37.528 -66.382 186 HB3 ALA 254 HB3 ALA 254 11.120 -36.227 -66.724 187 H LYS 255 H LYS 255 9.807 -38.698 -64.311 188 HA LYS 255 HA LYS 255 7.088 -38.255 -63.448 189 HB2 LYS 255 HB2 LYS 255 7.853 -40.245 -64.796 190 HB3 LYS 255 HB3 LYS 255 8.679 -40.824 -63.349 191 HG2 LYS 255 HG2 LYS 255 6.547 -40.830 -62.116 192 HG3 LYS 255 HG3 LYS 255 5.712 -40.226 -63.548 193 HD2 LYS 255 HD2 LYS 255 6.401 -42.259 -64.792 194 HD3 LYS 255 HD3 LYS 255 7.189 -42.868 -63.335 195 HE2 LYS 255 HE2 LYS 255 5.019 -42.798 -62.141 196 HE3 LYS 255 HE3 LYS 255 4.238 -42.231 -63.620 197 HZ2 LYS 255 HZ1 LYS 255 5.240 -44.882 -62.950 198 HZ1 LYS 255 HZ2 LYS 255 5.489 -44.369 -64.551 199 HZ3 LYS 255 HZ3 LYS 255 3.916 -44.434 -63.911 200 H LEU 256 H LEU 256 10.081 -38.205 -61.909 201 HA LEU 256 HA LEU 256 10.785 -38.284 -59.725 202 HB2 LEU 256 HB2 LEU 256 7.951 -37.288 -59.444 203 HB3 LEU 256 HB3 LEU 256 9.049 -37.414 -58.070 204 HG LEU 256 HG LEU 256 10.700 -36.078 -59.637 205 HD12 LEU 256 HD11 LEU 256 8.496 -34.543 -60.686 206 HD11 LEU 256 HD12 LEU 256 8.380 -36.208 -61.251 207 HD13 LEU 256 HD13 LEU 256 9.844 -35.274 -61.554 208 HD22 LEU 256 HD21 LEU 256 10.259 -34.379 -58.207 209 HD21 LEU 256 HD22 LEU 256 8.988 -35.411 -57.553 210 HD23 LEU 256 HD23 LEU 256 8.604 -34.216 -58.791 211 H LYS 257 H LYS 257 11.042 -39.707 -58.082 212 HA LYS 257 HA LYS 257 9.052 -41.886 -57.878 213 HB2 LYS 257 HB2 LYS 257 11.897 -41.963 -58.386 214 HB3 LYS 257 HB3 LYS 257 11.511 -42.839 -56.903 215 HG2 LYS 257 HG2 LYS 257 9.858 -44.189 -58.057 216 HG3 LYS 257 HG3 LYS 257 10.044 -43.231 -59.529 217 HD2 LYS 257 HD2 LYS 257 12.409 -43.954 -59.689 218 HD3 LYS 257 HD3 LYS 257 12.197 -44.936 -58.238 219 HE2 LYS 257 HE2 LYS 257 10.474 -46.270 -59.359 220 HE3 LYS 257 HE3 LYS 257 10.611 -45.262 -60.803 221 HZ1 LYS 257 HZ1 LYS 257 13.099 -46.388 -59.817 222 HZ3 LYS 257 HZ2 LYS 257 12.531 -46.230 -61.412 223 HZ2 LYS 257 HZ3 LYS 257 11.992 -47.514 -60.437 224 H ASP 258 H ASP 258 11.103 -39.624 -56.185 225 HA ASP 258 HA ASP 258 10.804 -40.712 -53.584 226 HB2 ASP 258 HB2 ASP 258 11.446 -37.936 -54.590 227 HB3 ASP 258 HB3 ASP 258 11.369 -38.325 -52.874 228 H LEU 259 H LEU 259 9.158 -40.665 -52.223 229 HA LEU 259 HA LEU 259 6.766 -39.094 -52.945 230 HB2 LEU 259 HB2 LEU 259 7.207 -41.831 -52.138 231 HB3 LEU 259 HB3 LEU 259 6.138 -41.037 -50.980 232 HG LEU 259 HG LEU 259 4.620 -40.363 -52.760 233 HD11 LEU 259 HD11 LEU 259 6.939 -41.152 -54.456 234 HD13 LEU 259 HD12 LEU 259 5.775 -39.846 -54.680 235 HD12 LEU 259 HD13 LEU 259 5.335 -41.500 -55.099 236 HD21 LEU 259 HD21 LEU 259 5.507 -43.221 -52.629 237 HD23 LEU 259 HD22 LEU 259 4.321 -42.770 -53.852 238 HD22 LEU 259 HD23 LEU 259 3.970 -42.503 -52.145 No H/Q in entry = 238 In of MODEL 1 1 HA PRO 260 HA PRO 260 6.353 -36.745 -49.201 2 HB2 PRO 260 HB2 PRO 260 4.705 -38.919 -47.926 3 HB3 PRO 260 HB3 PRO 260 4.408 -37.169 -47.964 4 HG2 PRO 260 HG2 PRO 260 3.068 -38.742 -49.585 5 HG3 PRO 260 HG3 PRO 260 3.724 -37.209 -50.187 6 HD2 PRO 260 HD2 PRO 260 4.697 -39.980 -50.689 7 HD3 PRO 260 HD3 PRO 260 4.726 -38.560 -51.759 8 H ALA 261 H ALA 261 5.930 -38.019 -46.459 9 HA ALA 261 HA ALA 261 8.770 -38.647 -46.042 10 HB2 ALA 261 HB1 ALA 261 8.564 -37.790 -43.896 11 HB3 ALA 261 HB2 ALA 261 6.831 -38.107 -43.818 12 HB1 ALA 261 HB3 ALA 261 7.442 -36.774 -44.800 13 H ILE 262 H ILE 262 9.347 -40.740 -45.798 14 HA ILE 262 HA ILE 262 7.436 -42.589 -44.512 15 HB ILE 262 HB ILE 262 9.432 -43.287 -46.704 16 HG12 ILE 262 HG12 ILE 262 6.417 -43.390 -46.819 17 HG13 ILE 262 HG13 ILE 262 7.340 -42.014 -47.390 18 HG21 ILE 262 HG21 ILE 262 7.625 -44.900 -44.959 19 HG23 ILE 262 HG22 ILE 262 9.256 -45.262 -45.527 20 HG22 ILE 262 HG23 ILE 262 7.885 -45.418 -46.624 21 HD11 ILE 262 HD11 ILE 262 8.143 -44.665 -48.462 22 HD13 ILE 262 HD12 ILE 262 8.036 -43.102 -49.276 23 HD12 ILE 262 HD13 ILE 262 6.575 -44.048 -48.984 24 H THR 263 H THR 263 8.192 -43.426 -42.696 25 HA THR 263 HA THR 263 10.799 -43.091 -41.659 26 HB THR 263 HB THR 263 8.647 -43.722 -40.448 27 HG1 THR 263 HG1 THR 263 10.615 -45.499 -39.658 28 HG23 THR 263 HG21 THR 263 7.779 -45.797 -40.663 29 HG22 THR 263 HG22 THR 263 9.371 -46.556 -40.720 30 HG21 THR 263 HG23 THR 263 8.680 -45.844 -42.180 31 H LEU 264 H LEU 264 12.357 -44.751 -41.315 32 HA LEU 264 HA LEU 264 13.354 -46.238 -43.395 33 HB2 LEU 264 HB2 LEU 264 14.590 -45.790 -41.328 34 HB3 LEU 264 HB3 LEU 264 13.540 -46.907 -40.450 35 HG LEU 264 HG LEU 264 14.663 -48.007 -42.906 36 HD11 LEU 264 HD11 LEU 264 16.613 -46.643 -42.212 37 HD13 LEU 264 HD12 LEU 264 16.926 -48.377 -42.279 38 HD12 LEU 264 HD13 LEU 264 16.688 -47.584 -40.722 39 HD23 LEU 264 HD21 LEU 264 15.147 -49.991 -41.301 40 HD22 LEU 264 HD22 LEU 264 13.457 -49.537 -41.523 41 HD21 LEU 264 HD23 LEU 264 14.315 -49.044 -40.064 42 H ASP 265 H ASP 265 11.023 -47.348 -40.966 43 HA ASP 265 HA ASP 265 10.878 -49.942 -42.254 44 HB2 ASP 265 HB2 ASP 265 9.780 -48.859 -39.689 45 HB3 ASP 265 HB3 ASP 265 9.222 -50.390 -40.344 46 H GLY 266 H GLY 266 9.613 -47.451 -43.511 47 HA3 GLY 266 HA2 GLY 266 8.049 -47.601 -45.208 48 HA2 GLY 266 HA3 GLY 266 7.428 -49.050 -44.482 49 H HIS 267 H HIS 267 7.296 -46.316 -42.403 50 HA HIS 267 HA HIS 267 4.385 -46.286 -42.771 51 HB2 HIS 267 HB2 HIS 267 5.642 -46.475 -40.474 52 HB3 HIS 267 HB3 HIS 267 5.857 -44.745 -40.646 53 HD1 HIS 267 HD1 HIS 267 3.444 -47.290 -39.607 54 HD2 HIS 267 HD2 HIS 267 3.299 -43.300 -40.750 55 HE1 HIS 267 HE1 HIS 267 1.195 -46.452 -38.837 56 HE2 HIS 267 HE2 HIS 267 1.136 -44.025 -39.525 57 H GLN 268 H GLN 268 3.468 -44.730 -43.902 58 HA GLN 268 HA GLN 268 5.044 -42.350 -44.562 59 HB2 GLN 268 HB2 GLN 268 4.190 -43.786 -46.382 60 HB3 GLN 268 HB3 GLN 268 2.555 -43.373 -45.885 61 HG2 GLN 268 HG2 GLN 268 2.965 -41.046 -46.341 62 HG3 GLN 268 HG3 GLN 268 4.650 -41.385 -46.713 63 HE21 GLN 268 HE21 GLN 268 3.161 -40.069 -48.593 64 HE22 GLN 268 HE22 GLN 268 2.821 -41.097 -49.897 65 H VAL 269 H VAL 269 4.363 -40.312 -44.291 66 HA VAL 269 HA VAL 269 1.611 -39.849 -43.363 67 HB VAL 269 HB VAL 269 2.333 -38.058 -41.821 68 HG12 VAL 269 HG11 VAL 269 3.561 -40.728 -41.221 69 HG11 VAL 269 HG12 VAL 269 1.867 -40.291 -40.990 70 HG13 VAL 269 HG13 VAL 269 3.122 -39.493 -40.041 71 HG21 VAL 269 HG21 VAL 269 4.498 -37.582 -42.839 72 HG23 VAL 269 HG22 VAL 269 5.096 -39.152 -42.299 73 HG22 VAL 269 HG23 VAL 269 4.653 -37.922 -41.116 74 H GLU 270 H GLU 270 0.877 -37.584 -43.842 75 HA GLU 270 HA GLU 270 2.242 -36.591 -46.225 76 HB2 GLU 270 HB2 GLU 270 -0.305 -36.739 -45.916 77 HB3 GLU 270 HB3 GLU 270 -0.123 -35.356 -44.863 78 HG2 GLU 270 HG2 GLU 270 0.767 -34.035 -46.713 79 HG3 GLU 270 HG3 GLU 270 0.686 -35.436 -47.774 80 H VAL 271 H VAL 271 2.993 -34.455 -46.304 81 HA VAL 271 HA VAL 271 3.421 -33.038 -43.784 82 HB VAL 271 HB VAL 271 5.517 -34.228 -45.595 83 HG13 VAL 271 HG11 VAL 271 6.185 -32.028 -45.767 84 HG12 VAL 271 HG12 VAL 271 7.094 -32.617 -44.373 85 HG11 VAL 271 HG13 VAL 271 5.648 -31.635 -44.135 86 HG22 VAL 271 HG21 VAL 271 6.592 -34.835 -43.555 87 HG21 VAL 271 HG22 VAL 271 4.882 -35.222 -43.359 88 HG23 VAL 271 HG23 VAL 271 5.549 -33.769 -42.612 89 H CYS 272 H CYS 272 2.617 -31.090 -44.265 90 HA CYS 272 HA CYS 272 2.749 -30.128 -47.061 91 HB2 CYS 272 HB2 CYS 272 0.483 -30.179 -45.086 92 HB3 CYS 272 HB3 CYS 272 0.478 -29.176 -46.525 93 HG CYS 272 HG CYS 272 -0.534 -31.126 -47.498 94 H ALA 273 H ALA 273 1.967 -27.859 -47.176 95 HA ALA 273 HA ALA 273 3.297 -26.368 -45.045 96 HB2 ALA 273 HB1 ALA 273 3.547 -24.596 -46.563 97 HB3 ALA 273 HB2 ALA 273 2.419 -25.326 -47.707 98 HB1 ALA 273 HB3 ALA 273 3.990 -26.072 -47.419 99 H ASN 274 H ASN 274 2.303 -24.824 -43.883 100 HA ASN 274 HA ASN 274 -0.603 -24.440 -44.104 101 HB2 ASN 274 HB2 ASN 274 1.576 -23.327 -42.318 102 HB3 ASN 274 HB3 ASN 274 -0.095 -22.780 -42.271 103 HD21 ASN 274 HD21 ASN 274 1.181 -23.840 -40.031 104 HD22 ASN 274 HD22 ASN 274 0.473 -25.330 -39.633 105 H ILE 275 H ILE 275 -1.308 -22.581 -45.238 106 HA ILE 275 HA ILE 275 0.790 -20.637 -45.951 107 HB ILE 275 HB ILE 275 -0.240 -20.248 -48.194 108 HG12 ILE 275 HG12 ILE 275 -1.704 -22.830 -47.663 109 HG13 ILE 275 HG13 ILE 275 -2.430 -21.241 -47.645 110 HG22 ILE 275 HG21 ILE 275 0.583 -23.072 -48.415 111 HG21 ILE 275 HG22 ILE 275 1.707 -22.009 -47.567 112 HG23 ILE 275 HG23 ILE 275 1.213 -21.631 -49.219 113 HD12 ILE 275 HD11 ILE 275 -2.814 -22.644 -49.740 114 HD11 ILE 275 HD12 ILE 275 -1.109 -22.397 -50.118 115 HD13 ILE 275 HD13 ILE 275 -2.200 -21.014 -50.021 116 H GLY 276 H GLY 276 -0.073 -18.618 -46.852 117 HA3 GLY 276 HA2 GLY 276 -2.550 -17.829 -45.488 118 HA2 GLY 276 HA3 GLY 276 -1.132 -16.802 -45.574 119 H THR 277 H THR 277 -0.880 -17.896 -48.461 120 HA THR 277 HA THR 277 -2.729 -16.251 -49.992 121 HB THR 277 HB THR 277 -1.439 -14.544 -48.774 122 HG1 THR 277 HG1 THR 277 -1.845 -13.908 -50.809 123 HG23 THR 277 HG21 THR 277 0.995 -14.421 -48.995 124 HG22 THR 277 HG22 THR 277 1.001 -15.891 -49.965 125 HG21 THR 277 HG23 THR 277 0.531 -15.957 -48.269 126 H VAL 278 H VAL 278 -2.491 -16.850 -52.236 127 HA VAL 278 HA VAL 278 -1.167 -18.983 -53.279 128 HB VAL 278 HB VAL 278 -1.268 -16.222 -54.509 129 HG12 VAL 278 HG11 VAL 278 -1.265 -17.744 -56.637 130 HG11 VAL 278 HG12 VAL 278 -0.520 -18.938 -55.575 131 HG13 VAL 278 HG13 VAL 278 0.271 -17.385 -55.848 132 HG21 VAL 278 HG21 VAL 278 -3.098 -18.636 -54.703 133 HG23 VAL 278 HG22 VAL 278 -3.270 -17.160 -55.651 134 HG22 VAL 278 HG23 VAL 278 -3.475 -17.112 -53.900 135 H ARG 279 H ARG 279 0.390 -15.918 -52.458 136 HA ARG 279 HA ARG 279 2.850 -16.361 -53.676 137 HB2 ARG 279 HB2 ARG 279 2.114 -14.766 -51.225 138 HB3 ARG 279 HB3 ARG 279 3.720 -14.736 -51.953 139 HG2 ARG 279 HG2 ARG 279 2.769 -13.983 -54.085 140 HG3 ARG 279 HG3 ARG 279 1.142 -14.060 -53.405 141 HD2 ARG 279 HD2 ARG 279 3.345 -12.354 -52.226 142 HD3 ARG 279 HD3 ARG 279 2.201 -11.749 -53.425 143 HE ARG 279 HE ARG 279 0.499 -12.685 -51.606 144 HH21 ARG 279 HH11 ARG 279 -0.174 -11.682 -49.722 145 HH22 ARG 279 HH12 ARG 279 0.883 -10.590 -48.895 146 HH11 ARG 279 HH21 ARG 279 3.450 -10.953 -51.171 147 HH12 ARG 279 HH22 ARG 279 2.931 -10.177 -49.715 148 H ASP 280 H ASP 280 1.569 -17.931 -50.899 149 HA ASP 280 HA ASP 280 4.152 -18.565 -49.771 150 HB2 ASP 280 HB2 ASP 280 1.342 -19.446 -49.073 151 HB3 ASP 280 HB3 ASP 280 2.781 -19.881 -48.159 152 H VAL 281 H VAL 281 2.091 -19.784 -52.187 153 HA VAL 281 HA VAL 281 2.466 -22.566 -51.905 154 HB VAL 281 HB VAL 281 0.856 -21.146 -53.465 155 HG13 VAL 281 HG11 VAL 281 1.608 -20.821 -55.680 156 HG12 VAL 281 HG12 VAL 281 3.016 -21.858 -55.450 157 HG11 VAL 281 HG13 VAL 281 2.960 -20.264 -54.695 158 HG22 VAL 281 HG21 VAL 281 0.452 -23.441 -53.420 159 HG21 VAL 281 HG22 VAL 281 2.101 -23.845 -53.898 160 HG23 VAL 281 HG23 VAL 281 0.963 -23.223 -55.093 161 H GLU 282 H GLU 282 4.330 -19.979 -53.245 162 HA GLU 282 HA GLU 282 6.114 -21.469 -54.804 163 HB2 GLU 282 HB2 GLU 282 6.000 -19.026 -54.981 164 HB3 GLU 282 HB3 GLU 282 6.570 -18.863 -53.318 165 HG2 GLU 282 HG2 GLU 282 8.669 -20.039 -53.934 166 HG3 GLU 282 HG3 GLU 282 8.106 -20.156 -55.597 167 H GLY 283 H GLY 283 6.597 -20.133 -51.489 168 HA3 GLY 283 HA2 GLY 283 8.898 -21.531 -50.739 169 HA2 GLY 283 HA3 GLY 283 7.638 -21.015 -49.634 170 H ALA 284 H ALA 284 5.537 -22.687 -50.743 171 HA ALA 284 HA ALA 284 6.063 -25.024 -49.239 172 HB1 ALA 284 HB1 ALA 284 3.805 -24.064 -49.609 173 HB2 ALA 284 HB2 ALA 284 3.889 -25.780 -50.010 174 HB3 ALA 284 HB3 ALA 284 3.893 -24.572 -51.296 175 H GLU 285 H GLU 285 6.012 -24.397 -52.722 176 HA GLU 285 HA GLU 285 6.457 -27.127 -53.456 177 HB2 GLU 285 HB2 GLU 285 6.831 -26.302 -55.708 178 HB3 GLU 285 HB3 GLU 285 5.461 -25.428 -55.029 179 HG2 GLU 285 HG2 GLU 285 6.767 -23.485 -54.642 180 HG3 GLU 285 HG3 GLU 285 8.282 -24.336 -54.920 181 H ARG 286 H ARG 286 8.385 -24.277 -52.854 182 HA ARG 286 HA ARG 286 10.884 -25.163 -53.708 183 HB2 ARG 286 HB2 ARG 286 10.210 -22.831 -52.998 184 HB3 ARG 286 HB3 ARG 286 10.393 -23.369 -51.329 185 HG2 ARG 286 HG2 ARG 286 12.745 -24.018 -51.814 186 HG3 ARG 286 HG3 ARG 286 12.554 -23.413 -53.462 187 HD2 ARG 286 HD2 ARG 286 12.176 -21.748 -50.954 188 HD3 ARG 286 HD3 ARG 286 13.632 -21.748 -51.945 189 HE ARG 286 HE ARG 286 10.966 -20.839 -52.891 190 HH21 ARG 286 HH11 ARG 286 11.061 -19.177 -54.392 191 HH22 ARG 286 HH12 ARG 286 12.598 -18.593 -54.930 192 HH11 ARG 286 HH21 ARG 286 14.415 -20.769 -52.974 193 HH12 ARG 286 HH22 ARG 286 14.488 -19.488 -54.130 194 H ASN 287 H ASN 287 9.224 -25.714 -50.675 195 HA ASN 287 HA ASN 287 11.532 -27.021 -49.500 196 HB2 ASN 287 HB2 ASN 287 8.964 -25.949 -48.343 197 HB3 ASN 287 HB3 ASN 287 10.189 -26.791 -47.400 198 HD21 ASN 287 HD21 ASN 287 12.253 -25.437 -49.357 199 HD22 ASN 287 HD22 ASN 287 12.422 -23.888 -48.689 200 H GLY 288 H GLY 288 9.248 -28.108 -51.376 201 HA3 GLY 288 HA2 GLY 288 8.940 -30.321 -51.875 202 HA2 GLY 288 HA3 GLY 288 9.737 -30.723 -50.367 203 H ALA 289 H ALA 289 7.047 -28.650 -50.172 204 HA ALA 289 HA ALA 289 5.454 -30.180 -48.473 205 HB3 ALA 289 HB1 ALA 289 5.240 -27.720 -48.825 206 HB1 ALA 289 HB2 ALA 289 3.693 -28.547 -49.015 207 HB2 ALA 289 HB3 ALA 289 4.595 -28.024 -50.438 208 H GLU 290 H GLU 290 3.846 -31.702 -48.835 209 HA GLU 290 HA GLU 290 3.566 -32.632 -51.614 210 HB2 GLU 290 HB2 GLU 290 2.693 -33.899 -49.036 211 HB3 GLU 290 HB3 GLU 290 2.340 -34.552 -50.622 212 HG2 GLU 290 HG2 GLU 290 5.098 -34.120 -49.482 213 HG3 GLU 290 HG3 GLU 290 4.242 -35.655 -49.527 214 H GLY 291 H GLY 291 2.052 -30.388 -49.838 215 HA3 GLY 291 HA2 GLY 291 -0.050 -29.829 -51.456 216 HA2 GLY 291 HA3 GLY 291 -0.737 -30.998 -50.311 217 H VAL 292 H VAL 292 -1.951 -28.844 -49.821 218 HA VAL 292 HA VAL 292 -0.454 -27.299 -47.812 219 HB VAL 292 HB VAL 292 -1.237 -25.500 -48.844 220 HG12 VAL 292 HG11 VAL 292 -3.178 -27.170 -50.415 221 HG11 VAL 292 HG12 VAL 292 -1.492 -26.903 -50.861 222 HG13 VAL 292 HG13 VAL 292 -2.614 -25.543 -50.793 223 HG21 VAL 292 HG21 VAL 292 -2.998 -25.800 -47.035 224 HG23 VAL 292 HG22 VAL 292 -4.064 -26.435 -48.290 225 HG22 VAL 292 HG23 VAL 292 -3.471 -24.776 -48.394 226 H GLY 293 H GLY 293 -1.011 -27.566 -45.766 227 HA3 GLY 293 HA2 GLY 293 -3.215 -29.381 -45.209 228 HA2 GLY 293 HA3 GLY 293 -1.887 -28.974 -44.123 229 H LEU 294 H LEU 294 -2.546 -26.040 -45.037 230 HA LEU 294 HA LEU 294 -5.097 -25.545 -43.796 231 HB2 LEU 294 HB2 LEU 294 -3.654 -25.901 -41.798 232 HB3 LEU 294 HB3 LEU 294 -2.583 -24.650 -42.381 233 HG LEU 294 HG LEU 294 -4.740 -23.156 -42.283 234 HD12 LEU 294 HD11 LEU 294 -6.242 -23.881 -40.492 235 HD11 LEU 294 HD12 LEU 294 -5.363 -25.408 -40.395 236 HD13 LEU 294 HD13 LEU 294 -6.249 -24.989 -41.863 237 HD21 LEU 294 HD21 LEU 294 -3.236 -24.080 -39.814 238 HD23 LEU 294 HD22 LEU 294 -4.334 -22.701 -39.831 239 HD22 LEU 294 HD23 LEU 294 -2.872 -22.674 -40.815 240 H TYR 295 H TYR 295 -5.813 -23.943 -44.949 241 HA TYR 295 HA TYR 295 -3.973 -21.881 -45.952 242 HB2 TYR 295 HB2 TYR 295 -4.940 -23.008 -47.841 243 HB3 TYR 295 HB3 TYR 295 -6.496 -23.157 -47.057 244 HD1 TYR 295 HD1 TYR 295 -4.263 -20.964 -48.950 245 HD2 TYR 295 HD2 TYR 295 -8.082 -21.270 -47.059 246 HE1 TYR 295 HE1 TYR 295 -4.978 -18.957 -50.114 247 HE2 TYR 295 HE2 TYR 295 -8.813 -19.217 -48.231 248 HH TYR 295 HH TYR 295 -7.068 -17.065 -49.358 249 H ARG 296 H ARG 296 -4.039 -20.693 -44.187 250 HA ARG 296 HA ARG 296 -6.302 -20.071 -42.560 251 HB2 ARG 296 HB2 ARG 296 -3.476 -19.277 -42.745 252 HB3 ARG 296 HB3 ARG 296 -4.521 -17.923 -42.353 253 HG2 ARG 296 HG2 ARG 296 -5.492 -19.404 -40.507 254 HG3 ARG 296 HG3 ARG 296 -4.150 -20.493 -40.813 255 HD2 ARG 296 HD2 ARG 296 -3.966 -17.609 -39.879 256 HD3 ARG 296 HD3 ARG 296 -3.603 -19.044 -38.931 257 HE ARG 296 HE ARG 296 -1.920 -17.806 -40.955 258 HH21 ARG 296 HH11 ARG 296 0.224 -18.580 -41.139 259 HH22 ARG 296 HH12 ARG 296 0.660 -20.055 -40.345 260 HH11 ARG 296 HH21 ARG 296 -2.514 -20.648 -39.013 261 HH12 ARG 296 HH22 ARG 296 -0.885 -21.224 -39.145 262 H THR 297 H THR 297 -8.011 -19.307 -43.855 263 HA THR 297 HA THR 297 -7.479 -17.571 -46.016 264 HB THR 297 HB THR 297 -9.438 -19.006 -46.064 265 HG1 THR 297 HG1 THR 297 -10.321 -16.347 -45.937 266 HG22 THR 297 HG21 THR 297 -10.657 -17.079 -44.078 267 HG21 THR 297 HG22 THR 297 -9.993 -18.640 -43.592 268 HG23 THR 297 HG23 THR 297 -11.359 -18.570 -44.706 269 H GLU 298 H GLU 298 -7.903 -16.818 -42.677 270 HA GLU 298 HA GLU 298 -8.854 -14.189 -42.640 271 HB2 GLU 298 HB2 GLU 298 -8.261 -15.055 -40.523 272 HB3 GLU 298 HB3 GLU 298 -6.688 -15.577 -41.077 273 HG2 GLU 298 HG2 GLU 298 -6.201 -13.094 -41.340 274 HG3 GLU 298 HG3 GLU 298 -7.627 -12.860 -40.344 275 H PHE 299 H PHE 299 -5.703 -15.496 -43.359 276 HA PHE 299 HA PHE 299 -4.288 -13.112 -43.357 277 HB2 PHE 299 HB2 PHE 299 -2.591 -14.443 -44.664 278 HB3 PHE 299 HB3 PHE 299 -3.097 -15.125 -43.130 279 HD1 PHE 299 HD1 PHE 299 -4.931 -15.200 -46.387 280 HD2 PHE 299 HD2 PHE 299 -2.756 -17.445 -43.451 281 HE1 PHE 299 HE1 PHE 299 -5.537 -17.313 -47.557 282 HE2 PHE 299 HE2 PHE 299 -3.347 -19.553 -44.582 283 HZ PHE 299 HZ PHE 299 -4.722 -19.507 -46.640 284 H LEU 300 H LEU 300 -6.072 -14.765 -45.888 285 HA LEU 300 HA LEU 300 -5.253 -13.039 -47.991 286 HB2 LEU 300 HB2 LEU 300 -6.167 -15.082 -48.567 287 HB3 LEU 300 HB3 LEU 300 -7.504 -14.907 -47.500 288 HG LEU 300 HG LEU 300 -8.468 -13.329 -49.168 289 HD11 LEU 300 HD11 LEU 300 -6.452 -12.705 -50.332 290 HD13 LEU 300 HD12 LEU 300 -7.664 -13.332 -51.449 291 HD12 LEU 300 HD13 LEU 300 -6.292 -14.339 -50.980 292 HD23 LEU 300 HD21 LEU 300 -8.272 -15.871 -50.657 293 HD22 LEU 300 HD22 LEU 300 -9.687 -14.992 -50.076 294 HD21 LEU 300 HD23 LEU 300 -8.765 -16.008 -48.968 295 H PHE 301 H PHE 301 -7.628 -12.885 -45.440 296 HA PHE 301 HA PHE 301 -9.129 -10.692 -46.500 297 HB2 PHE 301 HB2 PHE 301 -9.864 -12.430 -44.785 298 HB3 PHE 301 HB3 PHE 301 -8.900 -11.548 -43.618 299 HD1 PHE 301 HD1 PHE 301 -12.102 -11.881 -45.048 300 HD2 PHE 301 HD2 PHE 301 -9.430 -8.997 -43.459 301 HE1 PHE 301 HE1 PHE 301 -13.993 -10.391 -44.637 302 HE2 PHE 301 HE2 PHE 301 -11.327 -7.523 -43.023 303 HZ PHE 301 HZ PHE 301 -13.620 -8.216 -43.624 304 H MET 302 H MET 302 -6.239 -11.037 -44.587 305 HA MET 302 HA MET 302 -6.247 -8.172 -43.905 306 HB2 MET 302 HB2 MET 302 -5.525 -10.005 -42.253 307 HB3 MET 302 HB3 MET 302 -4.078 -10.167 -43.247 308 HG2 MET 302 HG2 MET 302 -4.414 -7.394 -42.840 309 HG3 MET 302 HG3 MET 302 -4.696 -8.146 -41.272 310 HE2 MET 302 HE1 MET 302 -1.002 -6.756 -41.371 311 HE1 MET 302 HE2 MET 302 -2.676 -6.415 -40.941 312 HE3 MET 302 HE3 MET 302 -2.147 -6.226 -42.611 313 H ASP 303 H ASP 303 -5.631 -9.888 -46.540 314 HA ASP 303 HA ASP 303 -3.168 -8.513 -47.276 315 HB2 ASP 303 HB2 ASP 303 -2.904 -10.003 -48.990 316 HB3 ASP 303 HB3 ASP 303 -3.782 -11.002 -47.844 317 H ARG 304 H ARG 304 -6.207 -7.622 -47.009 318 HA ARG 304 HA ARG 304 -6.342 -5.844 -49.354 319 HB2 ARG 304 HB2 ARG 304 -8.245 -7.958 -48.475 320 HB3 ARG 304 HB3 ARG 304 -8.931 -6.449 -49.082 321 HG2 ARG 304 HG2 ARG 304 -7.668 -6.661 -51.159 322 HG3 ARG 304 HG3 ARG 304 -6.848 -8.096 -50.553 323 HD2 ARG 304 HD2 ARG 304 -9.000 -9.277 -50.398 324 HD3 ARG 304 HD3 ARG 304 -9.837 -7.847 -50.998 325 HE ARG 304 HE ARG 304 -8.497 -9.796 -52.585 326 HH21 ARG 304 HH11 ARG 304 -8.286 -9.396 -54.777 327 HH22 ARG 304 HH12 ARG 304 -8.409 -7.774 -55.372 328 HH11 ARG 304 HH21 ARG 304 -8.979 -6.411 -52.264 329 HH12 ARG 304 HH22 ARG 304 -8.802 -6.090 -53.953 330 H ASP 305 H ASP 305 -7.919 -3.956 -49.013 331 HA ASP 305 HA ASP 305 -8.137 -3.353 -46.115 332 HB2 ASP 305 HB2 ASP 305 -7.993 -1.562 -48.523 333 HB3 ASP 305 HB3 ASP 305 -8.522 -0.973 -46.951 334 H ALA 306 H ALA 306 -10.041 -4.931 -47.865 335 HA ALA 306 HA ALA 306 -12.461 -3.821 -46.704 336 HB2 ALA 306 HB1 ALA 306 -12.691 -2.727 -48.807 337 HB3 ALA 306 HB2 ALA 306 -13.669 -4.187 -48.954 338 HB1 ALA 306 HB3 ALA 306 -12.067 -4.120 -49.689 339 H LEU 307 H LEU 307 -14.161 -5.456 -46.693 340 HA LEU 307 HA LEU 307 -13.175 -8.124 -46.317 341 HB2 LEU 307 HB2 LEU 307 -15.618 -8.711 -46.270 342 HB3 LEU 307 HB3 LEU 307 -15.041 -7.621 -45.042 343 HG LEU 307 HG LEU 307 -15.986 -5.937 -47.006 344 HD13 LEU 307 HD11 LEU 307 -18.090 -6.752 -47.778 345 HD12 LEU 307 HD12 LEU 307 -17.998 -8.178 -46.744 346 HD11 LEU 307 HD13 LEU 307 -16.903 -8.011 -48.117 347 HD21 LEU 307 HD21 LEU 307 -16.363 -5.640 -44.610 348 HD23 LEU 307 HD22 LEU 307 -17.516 -6.977 -44.621 349 HD22 LEU 307 HD23 LEU 307 -17.868 -5.499 -45.519 No H/Q in entry = 349 In of MODEL 1 1 HA PRO 308 HA PRO 308 -13.339 -9.019 -50.607 2 HB2 PRO 308 HB2 PRO 308 -12.512 -11.643 -50.562 3 HB3 PRO 308 HB3 PRO 308 -11.418 -10.254 -50.440 4 HG2 PRO 308 HG2 PRO 308 -12.306 -12.134 -48.379 5 HG3 PRO 308 HG3 PRO 308 -10.839 -11.157 -48.468 6 HD2 PRO 308 HD2 PRO 308 -13.162 -10.560 -46.870 7 HD3 PRO 308 HD3 PRO 308 -11.793 -9.472 -47.194 8 H THR 309 H THR 309 -15.030 -9.452 -51.803 9 HA THR 309 HA THR 309 -17.425 -10.506 -50.771 10 HB THR 309 HB THR 309 -18.146 -10.394 -53.196 11 HG1 THR 309 HG1 THR 309 -15.454 -9.501 -53.517 12 HG21 THR 309 HG21 THR 309 -16.737 -8.011 -52.020 13 HG23 THR 309 HG22 THR 309 -18.406 -8.500 -51.725 14 HG22 THR 309 HG23 THR 309 -17.919 -7.945 -53.327 15 H GLU 310 H GLU 310 -18.659 -12.156 -52.217 16 HA GLU 310 HA GLU 310 -17.453 -14.656 -51.972 17 HB2 GLU 310 HB2 GLU 310 -19.206 -15.509 -53.325 18 HB3 GLU 310 HB3 GLU 310 -19.882 -14.224 -52.335 19 HG2 GLU 310 HG2 GLU 310 -19.073 -14.067 -55.212 20 HG3 GLU 310 HG3 GLU 310 -20.707 -14.058 -54.569 21 H GLU 311 H GLU 311 -17.672 -12.505 -54.775 22 HA GLU 311 HA GLU 311 -16.398 -14.219 -56.573 23 HB2 GLU 311 HB2 GLU 311 -16.411 -12.385 -58.087 24 HB3 GLU 311 HB3 GLU 311 -17.878 -12.319 -57.143 25 HG2 GLU 311 HG2 GLU 311 -17.135 -10.414 -55.952 26 HG3 GLU 311 HG3 GLU 311 -15.478 -10.624 -56.486 27 H GLU 312 H GLU 312 -15.013 -11.638 -54.540 28 HA GLU 312 HA GLU 312 -12.431 -11.856 -55.731 29 HB2 GLU 312 HB2 GLU 312 -13.010 -9.816 -54.595 30 HB3 GLU 312 HB3 GLU 312 -13.255 -10.675 -53.080 31 HG2 GLU 312 HG2 GLU 312 -11.068 -9.565 -53.059 32 HG3 GLU 312 HG3 GLU 312 -10.858 -11.306 -53.040 33 H GLN 313 H GLN 313 -14.046 -13.473 -53.101 34 HA GLN 313 HA GLN 313 -11.717 -14.734 -52.065 35 HB2 GLN 313 HB2 GLN 313 -13.994 -14.422 -50.946 36 HB3 GLN 313 HB3 GLN 313 -14.510 -15.815 -51.877 37 HG2 GLN 313 HG2 GLN 313 -12.427 -15.690 -49.695 38 HG3 GLN 313 HG3 GLN 313 -13.898 -16.650 -49.741 39 HE21 GLN 313 HE21 GLN 313 -10.593 -16.737 -50.134 40 HE22 GLN 313 HE22 GLN 313 -10.438 -18.178 -51.020 41 H PHE 314 H PHE 314 -14.298 -15.695 -54.211 42 HA PHE 314 HA PHE 314 -13.581 -18.294 -54.767 43 HB2 PHE 314 HB2 PHE 314 -14.906 -16.089 -56.260 44 HB3 PHE 314 HB3 PHE 314 -14.487 -17.558 -57.121 45 HD1 PHE 314 HD1 PHE 314 -17.122 -15.970 -55.614 46 HD2 PHE 314 HD2 PHE 314 -15.090 -19.761 -55.539 47 HE1 PHE 314 HE1 PHE 314 -19.204 -17.033 -54.807 48 HE2 PHE 314 HE2 PHE 314 -17.132 -20.821 -54.723 49 HZ PHE 314 HZ PHE 314 -19.216 -19.456 -54.362 50 H ALA 315 H ALA 315 -12.437 -15.270 -56.288 51 HA ALA 315 HA ALA 315 -10.888 -16.504 -58.270 52 HB1 ALA 315 HB1 ALA 315 -9.825 -14.278 -58.564 53 HB2 ALA 315 HB2 ALA 315 -10.598 -13.729 -57.076 54 HB3 ALA 315 HB3 ALA 315 -11.583 -14.162 -58.472 55 H ALA 316 H ALA 316 -10.125 -15.228 -55.126 56 HA ALA 316 HA ALA 316 -7.360 -15.597 -55.114 57 HB2 ALA 316 HB1 ALA 316 -7.508 -15.238 -52.787 58 HB1 ALA 316 HB2 ALA 316 -9.196 -15.754 -52.753 59 HB3 ALA 316 HB3 ALA 316 -8.750 -14.236 -53.537 60 H TYR 317 H TYR 317 -10.040 -17.659 -54.009 61 HA TYR 317 HA TYR 317 -8.405 -19.790 -53.121 62 HB2 TYR 317 HB2 TYR 317 -10.910 -19.347 -52.607 63 HB3 TYR 317 HB3 TYR 317 -11.204 -20.267 -54.072 64 HD1 TYR 317 HD1 TYR 317 -12.146 -21.171 -51.329 65 HD2 TYR 317 HD2 TYR 317 -8.516 -21.935 -53.432 66 HE1 TYR 317 HE1 TYR 317 -11.837 -23.330 -50.080 67 HE2 TYR 317 HE2 TYR 317 -8.199 -24.026 -52.212 68 HH TYR 317 HH TYR 317 -8.929 -25.350 -50.788 69 H LYS 318 H LYS 318 -9.952 -19.125 -56.187 70 HA LYS 318 HA LYS 318 -9.421 -21.564 -57.510 71 HB2 LYS 318 HB2 LYS 318 -10.983 -19.992 -58.473 72 HB3 LYS 318 HB3 LYS 318 -9.752 -18.760 -58.588 73 HG2 LYS 318 HG2 LYS 318 -8.753 -20.859 -60.190 74 HG3 LYS 318 HG3 LYS 318 -10.484 -20.846 -60.522 75 HD2 LYS 318 HD2 LYS 318 -10.397 -18.456 -61.073 76 HD3 LYS 318 HD3 LYS 318 -8.704 -18.383 -60.627 77 HE2 LYS 318 HE2 LYS 318 -8.159 -19.891 -62.554 78 HE3 LYS 318 HE3 LYS 318 -9.856 -19.919 -62.999 79 HZ1 LYS 318 HZ1 LYS 318 -9.713 -17.488 -63.303 80 HZ3 LYS 318 HZ2 LYS 318 -8.707 -18.357 -64.360 81 HZ2 LYS 318 HZ3 LYS 318 -8.045 -17.570 -63.007 82 H ALA 319 H ALA 319 -7.642 -18.477 -57.415 83 HA ALA 319 HA ALA 319 -5.494 -19.338 -58.968 84 HB1 ALA 319 HB1 ALA 319 -5.469 -17.337 -56.699 85 HB2 ALA 319 HB2 ALA 319 -5.572 -17.005 -58.428 86 HB3 ALA 319 HB3 ALA 319 -4.080 -17.650 -57.741 87 H VAL 320 H VAL 320 -5.923 -19.688 -55.433 88 HA VAL 320 HA VAL 320 -3.394 -20.816 -55.004 89 HB VAL 320 HB VAL 320 -5.926 -21.302 -53.389 90 HG11 VAL 320 HG11 VAL 320 -3.927 -22.846 -52.979 91 HG13 VAL 320 HG12 VAL 320 -4.577 -21.993 -51.580 92 HG12 VAL 320 HG13 VAL 320 -3.100 -21.417 -52.351 93 HG21 VAL 320 HG21 VAL 320 -4.856 -18.909 -53.808 94 HG23 VAL 320 HG22 VAL 320 -3.849 -19.442 -52.461 95 HG22 VAL 320 HG23 VAL 320 -5.605 -19.379 -52.284 96 H ALA 321 H ALA 321 -6.572 -22.318 -55.473 97 HA ALA 321 HA ALA 321 -5.891 -24.972 -55.334 98 HB2 ALA 321 HB1 ALA 321 -7.812 -25.356 -56.784 99 HB3 ALA 321 HB2 ALA 321 -7.838 -23.635 -57.177 100 HB1 ALA 321 HB3 ALA 321 -8.148 -24.170 -55.524 101 H GLU 322 H GLU 322 -5.425 -22.706 -57.923 102 HA GLU 322 HA GLU 322 -4.605 -24.825 -59.698 103 HB2 GLU 322 HB2 GLU 322 -6.049 -23.086 -60.569 104 HB3 GLU 322 HB3 GLU 322 -4.834 -21.866 -60.205 105 HG2 GLU 322 HG2 GLU 322 -3.269 -22.978 -61.739 106 HG3 GLU 322 HG3 GLU 322 -4.483 -24.188 -62.104 107 H ALA 323 H ALA 323 -3.098 -22.232 -57.867 108 HA ALA 323 HA ALA 323 -0.506 -22.639 -59.015 109 HB1 ALA 323 HB1 ALA 323 -1.174 -21.597 -56.292 110 HB2 ALA 323 HB2 ALA 323 -1.146 -20.621 -57.763 111 HB3 ALA 323 HB3 ALA 323 0.333 -21.385 -57.180 112 H CYS 324 H CYS 324 -2.470 -24.547 -57.057 113 HA CYS 324 HA CYS 324 -0.123 -25.852 -55.907 114 HB2 CYS 324 HB2 CYS 324 -2.986 -26.519 -55.322 115 HB3 CYS 324 HB3 CYS 324 -1.545 -27.006 -54.421 116 HG CYS 324 HG CYS 324 -1.473 -24.811 -53.337 117 H GLY 325 H GLY 325 -1.833 -26.122 -58.697 118 HA3 GLY 325 HA2 GLY 325 -1.868 -27.746 -60.321 119 HA2 GLY 325 HA3 GLY 325 -0.489 -28.439 -59.475 120 H SER 326 H SER 326 -0.785 -30.479 -59.035 121 HA SER 326 HA SER 326 -3.384 -31.663 -59.084 122 HB2 SER 326 HB2 SER 326 -0.629 -32.754 -58.489 123 HB3 SER 326 HB3 SER 326 -2.079 -33.754 -58.454 124 HG SER 326 HG SER 326 -2.439 -32.827 -60.652 125 H GLN 327 H GLN 327 -1.417 -30.267 -56.674 126 HA GLN 327 HA GLN 327 -2.022 -32.000 -54.547 127 HB2 GLN 327 HB2 GLN 327 -0.859 -29.233 -54.650 128 HB3 GLN 327 HB3 GLN 327 -1.061 -30.118 -53.140 129 HG2 GLN 327 HG2 GLN 327 0.311 -31.958 -53.996 130 HG3 GLN 327 HG3 GLN 327 0.465 -31.147 -55.553 131 HE21 GLN 327 HE21 GLN 327 2.881 -31.579 -54.580 132 HE22 GLN 327 HE22 GLN 327 3.543 -30.231 -53.791 133 H ALA 328 H ALA 328 -3.133 -31.756 -52.671 134 HA ALA 328 HA ALA 328 -5.733 -30.504 -52.876 135 HB3 ALA 328 HB1 ALA 328 -4.454 -32.326 -50.798 136 HB2 ALA 328 HB2 ALA 328 -5.664 -32.769 -52.002 137 HB1 ALA 328 HB3 ALA 328 -6.101 -31.706 -50.663 138 H VAL 329 H VAL 329 -6.406 -28.701 -51.778 139 HA VAL 329 HA VAL 329 -4.547 -27.633 -49.763 140 HB VAL 329 HB VAL 329 -6.483 -25.968 -51.363 141 HG11 VAL 329 HG11 VAL 329 -5.442 -25.321 -49.067 142 HG13 VAL 329 HG12 VAL 329 -5.558 -24.162 -50.393 143 HG12 VAL 329 HG13 VAL 329 -4.030 -24.985 -50.067 144 HG22 VAL 329 HG21 VAL 329 -5.069 -26.158 -53.051 145 HG21 VAL 329 HG22 VAL 329 -3.947 -27.106 -52.073 146 HG23 VAL 329 HG23 VAL 329 -3.868 -25.345 -52.049 147 H ILE 330 H ILE 330 -5.296 -27.396 -47.716 148 HA ILE 330 HA ILE 330 -8.142 -27.971 -47.310 149 HB ILE 330 HB ILE 330 -5.871 -28.097 -45.289 150 HG12 ILE 330 HG12 ILE 330 -6.245 -30.389 -45.211 151 HG13 ILE 330 HG13 ILE 330 -7.885 -30.250 -45.815 152 HG21 ILE 330 HG21 ILE 330 -8.845 -28.384 -44.938 153 HG23 ILE 330 HG22 ILE 330 -7.811 -27.146 -44.223 154 HG22 ILE 330 HG23 ILE 330 -7.642 -28.833 -43.731 155 HD12 ILE 330 HD11 ILE 330 -6.217 -31.327 -47.420 156 HD11 ILE 330 HD12 ILE 330 -5.446 -29.748 -47.562 157 HD13 ILE 330 HD13 ILE 330 -7.117 -29.964 -48.088 158 H VAL 331 H VAL 331 -9.193 -26.203 -47.649 159 HA VAL 331 HA VAL 331 -8.167 -23.591 -46.964 160 HB VAL 331 HB VAL 331 -9.477 -23.981 -49.056 161 HG12 VAL 331 HG11 VAL 331 -12.033 -24.038 -47.729 162 HG11 VAL 331 HG12 VAL 331 -11.060 -25.473 -47.401 163 HG13 VAL 331 HG13 VAL 331 -11.423 -25.011 -49.065 164 HG22 VAL 331 HG21 VAL 331 -9.768 -21.751 -48.690 165 HG21 VAL 331 HG22 VAL 331 -10.219 -21.987 -47.002 166 HG23 VAL 331 HG23 VAL 331 -11.417 -22.221 -48.276 167 H ARG 332 H ARG 332 -8.389 -22.912 -44.865 168 HA ARG 332 HA ARG 332 -10.622 -24.045 -43.321 169 HB2 ARG 332 HB2 ARG 332 -9.511 -23.500 -41.396 170 HB3 ARG 332 HB3 ARG 332 -8.132 -23.651 -42.465 171 HG2 ARG 332 HG2 ARG 332 -7.696 -21.416 -42.434 172 HG3 ARG 332 HG3 ARG 332 -9.386 -20.974 -42.243 173 HD2 ARG 332 HD2 ARG 332 -9.351 -21.429 -39.922 174 HD3 ARG 332 HD3 ARG 332 -7.827 -22.302 -40.037 175 HE ARG 332 HE ARG 332 -6.796 -20.301 -39.717 176 HH21 ARG 332 HH11 ARG 332 -6.450 -18.079 -39.726 177 HH22 ARG 332 HH12 ARG 332 -7.645 -17.025 -40.403 178 HH11 ARG 332 HH21 ARG 332 -9.856 -19.629 -41.260 179 HH12 ARG 332 HH22 ARG 332 -9.602 -17.916 -41.285 180 H THR 333 H THR 333 -12.373 -22.916 -42.825 181 HA THR 333 HA THR 333 -12.814 -20.382 -44.115 182 HB THR 333 HB THR 333 -14.950 -20.379 -43.140 183 HG1 THR 333 HG1 THR 333 -14.871 -20.846 -41.083 184 HG22 THR 333 HG21 THR 333 -14.146 -23.275 -43.583 185 HG21 THR 333 HG22 THR 333 -14.576 -22.135 -44.859 186 HG23 THR 333 HG23 THR 333 -15.786 -22.629 -43.675 187 H MET 334 H MET 334 -13.368 -18.547 -42.902 188 HA MET 334 HA MET 334 -11.030 -17.609 -42.006 189 HB2 MET 334 HB2 MET 334 -13.352 -15.961 -41.423 190 HB3 MET 334 HB3 MET 334 -11.947 -15.642 -42.408 191 HG2 MET 334 HG2 MET 334 -12.945 -16.955 -44.204 192 HG3 MET 334 HG3 MET 334 -14.379 -17.195 -43.189 193 HE1 MET 334 HE1 MET 334 -11.798 -14.659 -44.513 194 HE3 MET 334 HE2 MET 334 -12.699 -13.352 -45.278 195 HE2 MET 334 HE3 MET 334 -12.802 -14.983 -45.937 196 H ASP 335 H ASP 335 -10.057 -16.979 -40.211 197 HA ASP 335 HA ASP 335 -11.507 -17.316 -37.682 198 HB2 ASP 335 HB2 ASP 335 -10.042 -19.243 -38.019 199 HB3 ASP 335 HB3 ASP 335 -8.666 -18.168 -38.216 200 H ILE 336 H ILE 336 -11.873 -15.132 -37.754 201 HA ILE 336 HA ILE 336 -9.578 -13.440 -37.156 202 HB ILE 336 HB ILE 336 -12.403 -12.573 -37.831 203 HG12 ILE 336 HG12 ILE 336 -10.102 -12.591 -39.742 204 HG13 ILE 336 HG13 ILE 336 -11.092 -14.023 -39.527 205 HG21 ILE 336 HG21 ILE 336 -10.925 -10.879 -36.758 206 HG23 ILE 336 HG22 ILE 336 -11.422 -10.458 -38.398 207 HG22 ILE 336 HG23 ILE 336 -9.799 -11.082 -38.100 208 HD13 ILE 336 HD11 ILE 336 -13.044 -12.790 -40.172 209 HD12 ILE 336 HD12 ILE 336 -11.791 -12.669 -41.409 210 HD11 ILE 336 HD13 ILE 336 -12.087 -11.318 -40.313 211 H GLY 337 H GLY 337 -9.493 -12.351 -35.186 212 HA3 GLY 337 HA2 GLY 337 -10.793 -11.335 -33.511 213 HA2 GLY 337 HA3 GLY 337 -11.775 -12.764 -33.436 214 H GLY 338 H GLY 338 -8.407 -13.450 -33.213 215 HA3 GLY 338 HA2 GLY 338 -8.710 -13.305 -30.241 216 HA2 GLY 338 HA3 GLY 338 -7.608 -14.455 -31.052 217 H ASP 339 H ASP 339 -5.591 -13.771 -31.420 218 HA ASP 339 HA ASP 339 -4.974 -10.945 -31.234 219 HB2 ASP 339 HB2 ASP 339 -2.690 -11.680 -31.861 220 HB3 ASP 339 HB3 ASP 339 -3.325 -12.429 -30.402 221 H LYS 340 H LYS 340 -6.525 -12.650 -33.635 222 HA LYS 340 HA LYS 340 -5.285 -10.801 -35.497 223 HB2 LYS 340 HB2 LYS 340 -6.270 -13.425 -36.471 224 HB3 LYS 340 HB3 LYS 340 -5.699 -12.111 -37.462 225 HG2 LYS 340 HG2 LYS 340 -4.049 -13.490 -35.406 226 HG3 LYS 340 HG3 LYS 340 -4.123 -13.952 -37.113 227 HD2 LYS 340 HD2 LYS 340 -3.558 -11.650 -37.725 228 HD3 LYS 340 HD3 LYS 340 -3.387 -11.264 -36.021 229 HE2 LYS 340 HE2 LYS 340 -1.812 -13.436 -37.362 230 HE3 LYS 340 HE3 LYS 340 -1.271 -11.777 -37.332 231 HZ2 LYS 340 HZ1 LYS 340 -1.147 -13.799 -35.344 232 HZ1 LYS 340 HZ2 LYS 340 -1.733 -12.317 -34.752 233 HZ3 LYS 340 HZ3 LYS 340 -0.227 -12.388 -35.534 234 H GLU 341 H GLU 341 -6.478 -9.182 -35.082 235 HA GLU 341 HA GLU 341 -9.255 -9.334 -35.859 236 HB2 GLU 341 HB2 GLU 341 -7.524 -7.097 -34.796 237 HB3 GLU 341 HB3 GLU 341 -9.227 -6.912 -35.228 238 HG2 GLU 341 HG2 GLU 341 -9.877 -8.618 -33.592 239 HG3 GLU 341 HG3 GLU 341 -8.198 -8.967 -33.229 240 H LEU 342 H LEU 342 -10.037 -8.157 -37.669 241 HA LEU 342 HA LEU 342 -7.925 -6.952 -39.227 242 HB2 LEU 342 HB2 LEU 342 -9.948 -8.656 -40.426 243 HB3 LEU 342 HB3 LEU 342 -9.898 -7.063 -41.146 244 HG LEU 342 HG LEU 342 -8.529 -8.676 -42.326 245 HD12 LEU 342 HD11 LEU 342 -6.440 -6.972 -41.245 246 HD11 LEU 342 HD12 LEU 342 -7.941 -6.114 -41.596 247 HD13 LEU 342 HD13 LEU 342 -7.133 -7.038 -42.865 248 HD21 LEU 342 HD21 LEU 342 -7.672 -9.349 -39.710 249 HD23 LEU 342 HD22 LEU 342 -6.282 -8.844 -40.673 250 HD22 LEU 342 HD23 LEU 342 -7.326 -10.149 -41.240 No H/Q in entry = 250 In of MODEL 1 1 HA PRO 343 HA PRO 343 -9.405 -3.325 -37.381 2 HB2 PRO 343 HB2 PRO 343 -7.856 -2.415 -39.810 3 HB3 PRO 343 HB3 PRO 343 -7.793 -1.792 -38.144 4 HG2 PRO 343 HG2 PRO 343 -5.878 -3.421 -38.942 5 HG3 PRO 343 HG3 PRO 343 -6.620 -3.689 -37.349 6 HD2 PRO 343 HD2 PRO 343 -7.085 -5.158 -39.918 7 HD3 PRO 343 HD3 PRO 343 -6.996 -5.782 -38.255 8 H TYR 344 H TYR 344 -9.583 -3.749 -40.976 9 HA TYR 344 HA TYR 344 -11.481 -1.729 -41.305 10 HB2 TYR 344 HB2 TYR 344 -12.004 -3.737 -43.258 11 HB3 TYR 344 HB3 TYR 344 -11.422 -2.108 -43.438 12 HD1 TYR 344 HD1 TYR 344 -10.709 -5.516 -43.958 13 HD2 TYR 344 HD2 TYR 344 -8.764 -1.838 -42.955 14 HE1 TYR 344 HE1 TYR 344 -8.558 -6.464 -44.670 15 HE2 TYR 344 HE2 TYR 344 -6.592 -2.789 -43.630 16 HH TYR 344 HH TYR 344 -5.503 -4.703 -44.306 17 HA MET 345 HA MET 345 -14.899 -4.674 -40.413 18 HB2 MET 345 HB2 MET 345 -13.530 -6.750 -39.847 19 HG2 MET 345 HG2 MET 345 -16.159 -6.150 -38.696 20 HE1 MET 345 HE1 MET 345 -13.109 -8.928 -38.715 21 HE3 MET 345 HE2 MET 345 -14.090 -10.359 -39.008 22 HE2 MET 345 HE3 MET 345 -13.500 -10.037 -37.383 23 H MET 345 HN MET 345 -12.073 -4.634 -39.711 24 HB3 MET 345 HB1 MET 345 -13.648 -6.234 -38.179 25 HG3 MET 345 HG1 MET 345 -15.736 -7.176 -40.038 26 H ASN 346 H ASN 346 -12.883 -3.179 -38.111 27 HA ASN 346 HA ASN 346 -13.285 -1.941 -36.253 28 HB2 ASN 346 HB2 ASN 346 -15.944 -1.403 -37.555 29 HB3 ASN 346 HB3 ASN 346 -15.127 -0.402 -36.362 30 HD21 ASN 346 HD21 ASN 346 -14.847 -1.676 -39.738 31 HD22 ASN 346 HD22 ASN 346 -13.876 -0.414 -40.324 32 H PHE 347 H PHE 347 -14.102 -4.770 -36.027 33 HA PHE 347 HA PHE 347 -16.480 -4.992 -34.575 34 HB2 PHE 347 HB2 PHE 347 -15.848 -7.124 -34.274 35 HB3 PHE 347 HB3 PHE 347 -14.503 -6.728 -35.331 36 HD1 PHE 347 HD1 PHE 347 -15.139 -8.452 -32.496 37 HD2 PHE 347 HD2 PHE 347 -12.630 -5.242 -33.771 38 HE1 PHE 347 HE1 PHE 347 -13.558 -8.938 -30.669 39 HE2 PHE 347 HE2 PHE 347 -11.066 -5.744 -31.943 40 HZ PHE 347 HZ PHE 347 -11.526 -7.596 -30.390 No H/Q in entry = 40 In of MODEL 1 1 HA PRO 348 HA PRO 348 -15.458 -2.869 -30.897 2 HB2 PRO 348 HB2 PRO 348 -16.957 -4.157 -29.033 3 HB3 PRO 348 HB3 PRO 348 -17.652 -3.062 -30.243 4 HG2 PRO 348 HG2 PRO 348 -17.599 -6.053 -30.212 5 HG3 PRO 348 HG3 PRO 348 -18.894 -4.959 -30.717 6 HD2 PRO 348 HD2 PRO 348 -17.192 -6.212 -32.511 7 HD3 PRO 348 HD3 PRO 348 -17.986 -4.655 -32.841 8 H LYS 349 H LYS 349 -14.320 -3.072 -28.874 9 HA LYS 349 HA LYS 349 -12.363 -5.129 -28.829 10 HB2 LYS 349 HB2 LYS 349 -13.012 -2.833 -27.025 11 HB3 LYS 349 HB3 LYS 349 -11.847 -4.050 -26.532 12 HG2 LYS 349 HG2 LYS 349 -10.585 -2.288 -27.539 13 HG3 LYS 349 HG3 LYS 349 -10.609 -3.600 -28.705 14 HD2 LYS 349 HD2 LYS 349 -11.906 -2.398 -30.245 15 HD3 LYS 349 HD3 LYS 349 -12.789 -1.539 -28.997 16 HE2 LYS 349 HE2 LYS 349 -11.186 0.160 -28.848 17 HE3 LYS 349 HE3 LYS 349 -9.883 -0.869 -29.411 18 HZ2 LYS 349 HZ1 LYS 349 -11.578 0.893 -30.910 19 HZ1 LYS 349 HZ2 LYS 349 -11.615 -0.677 -31.561 20 HZ3 LYS 349 HZ3 LYS 349 -10.134 0.137 -31.386 21 H GLU 350 H GLU 350 -11.928 -6.594 -27.228 22 HA GLU 350 HA GLU 350 -14.164 -7.434 -25.497 23 HB2 GLU 350 HB2 GLU 350 -13.845 -8.905 -27.534 24 HB3 GLU 350 HB3 GLU 350 -12.300 -9.368 -26.837 25 HG2 GLU 350 HG2 GLU 350 -13.894 -10.997 -26.231 26 HG3 GLU 350 HG3 GLU 350 -13.505 -10.062 -24.798 27 H GLU 351 H GLU 351 -13.621 -8.354 -23.572 28 HA GLU 351 HA GLU 351 -11.240 -7.423 -22.421 29 HB2 GLU 351 HB2 GLU 351 -12.042 -8.345 -20.387 30 HB3 GLU 351 HB3 GLU 351 -13.427 -7.698 -21.254 31 HG2 GLU 351 HG2 GLU 351 -13.990 -9.990 -22.030 32 HG3 GLU 351 HG3 GLU 351 -12.618 -10.622 -21.130 33 H ASN 352 H ASN 352 -12.150 -10.566 -23.753 34 HA ASN 352 HA ASN 352 -9.296 -11.260 -23.672 35 HB2 ASN 352 HB2 ASN 352 -11.461 -13.120 -22.674 36 HB3 ASN 352 HB3 ASN 352 -9.940 -13.724 -23.302 37 HD21 ASN 352 HD21 ASN 352 -8.425 -14.088 -21.857 38 HD22 ASN 352 HD22 ASN 352 -8.298 -13.350 -20.334 No H/Q in entry = 38 In of MODEL 1 1 HA PRO 353 HA PRO 353 -11.191 -11.441 -27.718 2 HB2 PRO 353 HB2 PRO 353 -8.376 -11.574 -28.669 3 HB3 PRO 353 HB3 PRO 353 -9.694 -10.517 -29.198 4 HG2 PRO 353 HG2 PRO 353 -7.626 -9.699 -27.685 5 HG3 PRO 353 HG3 PRO 353 -9.229 -8.953 -27.661 6 HD2 PRO 353 HD2 PRO 353 -7.952 -10.682 -25.587 7 HD3 PRO 353 HD3 PRO 353 -9.282 -9.518 -25.401 8 H PHE 354 H PHE 354 -8.417 -13.366 -26.562 9 HA PHE 354 HA PHE 354 -8.817 -15.418 -28.457 10 HB2 PHE 354 HB2 PHE 354 -7.082 -15.022 -26.165 11 HB3 PHE 354 HB3 PHE 354 -7.511 -16.699 -26.437 12 HD1 PHE 354 HD1 PHE 354 -5.181 -14.225 -27.174 13 HD2 PHE 354 HD2 PHE 354 -7.425 -17.376 -29.036 14 HE1 PHE 354 HE1 PHE 354 -3.507 -14.312 -29.004 15 HE2 PHE 354 HE2 PHE 354 -5.747 -17.462 -30.878 16 HZ PHE 354 HZ PHE 354 -3.815 -15.961 -30.878 17 H LEU 355 H LEU 355 -10.502 -14.830 -25.600 18 HA LEU 355 HA LEU 355 -11.837 -17.457 -25.765 19 HB2 LEU 355 HB2 LEU 355 -11.975 -15.425 -23.565 20 HB3 LEU 355 HB3 LEU 355 -12.693 -17.016 -23.571 21 HG LEU 355 HG LEU 355 -9.732 -16.604 -23.724 22 HD13 LEU 355 HD11 LEU 355 -10.459 -15.381 -21.787 23 HD12 LEU 355 HD12 LEU 355 -9.791 -16.915 -21.226 24 HD11 LEU 355 HD13 LEU 355 -11.539 -16.688 -21.300 25 HD23 LEU 355 HD21 LEU 355 -9.833 -18.972 -22.786 26 HD22 LEU 355 HD22 LEU 355 -10.546 -18.813 -24.388 27 HD21 LEU 355 HD23 LEU 355 -11.587 -18.913 -22.969 28 H GLY 356 H GLY 356 -12.197 -15.018 -27.492 29 HA3 GLY 356 HA2 GLY 356 -14.886 -14.188 -26.606 30 HA2 GLY 356 HA3 GLY 356 -13.776 -13.182 -27.519 31 H TRP 357 H TRP 357 -15.075 -12.715 -29.092 32 HA TRP 357 HA TRP 357 -16.769 -14.616 -30.404 33 HB2 TRP 357 HB2 TRP 357 -17.342 -12.282 -29.673 34 HB3 TRP 357 HB3 TRP 357 -16.275 -11.693 -30.921 35 HD1 TRP 357 HD1 TRP 357 -18.683 -14.587 -31.743 36 HE1 TRP 357 HE1 TRP 357 -20.549 -13.723 -33.298 37 HE3 TRP 357 HE3 TRP 357 -17.583 -9.602 -31.664 38 HZ2 TRP 357 HZ2 TRP 357 -21.447 -11.269 -34.344 39 HZ3 TRP 357 HZ3 TRP 357 -18.990 -8.064 -32.968 40 HH2 TRP 357 HH2 TRP 357 -20.881 -8.882 -34.293 41 H ARG 358 H ARG 358 -15.080 -15.835 -31.218 42 HA ARG 358 HA ARG 358 -13.376 -14.640 -33.264 43 HB2 ARG 358 HB2 ARG 358 -13.078 -16.530 -31.033 44 HB3 ARG 358 HB3 ARG 358 -12.147 -16.899 -32.465 45 HG2 ARG 358 HG2 ARG 358 -11.055 -14.785 -32.341 46 HG3 ARG 358 HG3 ARG 358 -12.077 -14.304 -30.986 47 HD2 ARG 358 HD2 ARG 358 -10.106 -16.632 -30.979 48 HD3 ARG 358 HD3 ARG 358 -9.886 -15.092 -30.149 49 HE ARG 358 HE ARG 358 -11.673 -15.683 -28.682 50 HH21 ARG 358 HH11 ARG 358 -12.615 -17.270 -27.409 51 HH22 ARG 358 HH12 ARG 358 -12.512 -18.927 -27.902 52 HH11 ARG 358 HH21 ARG 358 -10.689 -18.235 -30.791 53 HH12 ARG 358 HH22 ARG 358 -11.419 -19.473 -29.823 54 H ALA 359 H ALA 359 -13.104 -15.541 -35.229 55 HA ALA 359 HA ALA 359 -13.311 -16.896 -37.065 56 HB2 ALA 359 HB1 ALA 359 -11.955 -18.393 -35.656 57 HB3 ALA 359 HB2 ALA 359 -13.134 -19.354 -36.549 58 HB1 ALA 359 HB3 ALA 359 -13.406 -18.987 -34.845 59 H ILE 360 H ILE 360 -14.896 -19.457 -35.800 60 HA ILE 360 HA ILE 360 -17.031 -19.210 -37.581 61 HB ILE 360 HB ILE 360 -15.971 -21.199 -36.993 62 HG12 ILE 360 HG12 ILE 360 -18.449 -20.778 -37.603 63 HG13 ILE 360 HG13 ILE 360 -17.734 -22.385 -37.463 64 HG23 ILE 360 HG21 ILE 360 -16.044 -22.399 -35.028 65 HG22 ILE 360 HG22 ILE 360 -17.177 -21.270 -34.283 66 HG21 ILE 360 HG23 ILE 360 -15.523 -20.762 -34.629 67 HD12 ILE 360 HD11 ILE 360 -19.934 -22.044 -36.250 68 HD11 ILE 360 HD12 ILE 360 -19.050 -20.992 -35.144 69 HD13 ILE 360 HD13 ILE 360 -18.610 -22.695 -35.283 70 H ARG 361 H ARG 361 -16.742 -18.129 -34.385 71 HA ARG 361 HA ARG 361 -19.475 -18.166 -33.701 72 HB2 ARG 361 HB2 ARG 361 -17.231 -16.464 -32.641 73 HB3 ARG 361 HB3 ARG 361 -18.785 -16.766 -31.859 74 HG2 ARG 361 HG2 ARG 361 -17.134 -19.076 -32.719 75 HG3 ARG 361 HG3 ARG 361 -16.662 -18.195 -31.274 76 HD2 ARG 361 HD2 ARG 361 -18.022 -19.955 -30.559 77 HD3 ARG 361 HD3 ARG 361 -19.025 -18.505 -30.483 78 HE ARG 361 HE ARG 361 -19.248 -19.860 -33.011 79 HH21 ARG 361 HH11 ARG 361 -21.245 -20.963 -33.447 80 HH22 ARG 361 HH12 ARG 361 -22.336 -21.261 -32.133 81 HH11 ARG 361 HH21 ARG 361 -20.244 -19.787 -29.689 82 HH12 ARG 361 HH22 ARG 361 -21.759 -20.582 -29.960 83 H ILE 362 H ILE 362 -17.440 -16.122 -35.570 84 HA ILE 362 HA ILE 362 -19.280 -13.861 -35.618 85 HB ILE 362 HB ILE 362 -16.739 -13.745 -35.920 86 HG12 ILE 362 HG12 ILE 362 -16.908 -11.897 -37.541 87 HG13 ILE 362 HG13 ILE 362 -18.554 -12.382 -37.897 88 HG22 ILE 362 HG21 ILE 362 -17.364 -14.321 -38.784 89 HG21 ILE 362 HG22 ILE 362 -16.881 -15.599 -37.668 90 HG23 ILE 362 HG23 ILE 362 -15.799 -14.240 -37.974 91 HD12 ILE 362 HD11 ILE 362 -17.840 -10.481 -36.011 92 HD11 ILE 362 HD12 ILE 362 -18.061 -11.915 -35.009 93 HD13 ILE 362 HD13 ILE 362 -19.383 -11.342 -36.027 94 H ALA 363 H ALA 363 -18.072 -16.309 -37.913 95 HA ALA 363 HA ALA 363 -19.646 -15.399 -40.009 96 HB1 ALA 363 HB1 ALA 363 -18.635 -16.987 -41.175 97 HB3 ALA 363 HB2 ALA 363 -19.089 -18.253 -40.033 98 HB2 ALA 363 HB3 ALA 363 -17.686 -17.234 -39.712 99 HA MET 364 HA MET 364 -23.018 -18.187 -38.416 100 HB2 MET 364 HB2 MET 364 -21.971 -19.800 -36.956 101 HG2 MET 364 HG2 MET 364 -23.740 -20.270 -35.396 102 HE1 MET 364 HE1 MET 364 -26.642 -19.788 -35.468 103 HE3 MET 364 HE2 MET 364 -27.428 -20.697 -36.755 104 HE2 MET 364 HE3 MET 364 -27.365 -18.940 -36.848 105 H MET 364 HN MET 364 -20.450 -17.420 -37.293 106 HB3 MET 364 HB1 MET 364 -21.918 -18.636 -35.644 107 HG3 MET 364 HG1 MET 364 -24.327 -18.620 -35.503 108 H ASP 365 H ASP 365 -21.827 -15.464 -36.686 109 HA ASP 365 HA ASP 365 -24.619 -14.850 -36.000 110 HB2 ASP 365 HB2 ASP 365 -22.980 -14.454 -34.207 111 HB3 ASP 365 HB3 ASP 365 -22.174 -13.269 -35.223 112 H ARG 366 H ARG 366 -22.592 -14.557 -38.542 113 HA ARG 366 HA ARG 366 -24.277 -12.425 -39.630 114 HB2 ARG 366 HB2 ARG 366 -21.258 -12.395 -39.780 115 HB3 ARG 366 HB3 ARG 366 -22.337 -11.289 -40.604 116 HG2 ARG 366 HG2 ARG 366 -22.215 -11.537 -37.627 117 HG3 ARG 366 HG3 ARG 366 -21.216 -10.414 -38.560 118 HD2 ARG 366 HD2 ARG 366 -23.250 -9.594 -39.633 119 HD3 ARG 366 HD3 ARG 366 -24.183 -10.612 -38.540 120 HE ARG 366 HE ARG 366 -22.694 -8.214 -37.849 121 HH21 ARG 366 HH11 ARG 366 -23.164 -7.319 -35.822 122 HH22 ARG 366 HH12 ARG 366 -24.113 -8.221 -34.687 123 HH11 ARG 366 HH21 ARG 366 -24.524 -11.002 -36.807 124 HH12 ARG 366 HH22 ARG 366 -24.894 -10.336 -35.252 125 H ARG 367 H ARG 367 -25.107 -14.327 -40.663 126 HA ARG 367 HA ARG 367 -23.678 -16.237 -41.935 127 HB2 ARG 367 HB2 ARG 367 -26.022 -16.414 -41.517 128 HB3 ARG 367 HB3 ARG 367 -26.361 -15.175 -42.719 129 HG2 ARG 367 HG2 ARG 367 -25.700 -16.571 -44.504 130 HG3 ARG 367 HG3 ARG 367 -24.882 -17.702 -43.424 131 HD2 ARG 367 HD2 ARG 367 -27.056 -18.586 -44.183 132 HD3 ARG 367 HD3 ARG 367 -27.010 -18.361 -42.443 133 HE ARG 367 HE ARG 367 -28.393 -16.397 -42.742 134 HH21 ARG 367 HH11 ARG 367 -30.287 -15.623 -43.702 135 HH22 ARG 367 HH12 ARG 367 -30.800 -16.264 -45.225 136 HH11 ARG 367 HH21 ARG 367 -28.107 -18.461 -45.552 137 HH12 ARG 367 HH22 ARG 367 -29.567 -17.870 -46.274 138 H GLU 368 H GLU 368 -24.536 -13.101 -43.437 139 HA GLU 368 HA GLU 368 -23.906 -13.689 -46.050 140 HB2 GLU 368 HB2 GLU 368 -22.818 -11.184 -44.803 141 HB3 GLU 368 HB3 GLU 368 -23.400 -11.428 -46.435 142 HG2 GLU 368 HG2 GLU 368 -25.126 -10.191 -45.518 143 HG3 GLU 368 HG3 GLU 368 -25.718 -11.821 -45.276 144 H ILE 369 H ILE 369 -21.638 -13.464 -43.351 145 HA ILE 369 HA ILE 369 -19.257 -13.341 -44.945 146 HB ILE 369 HB ILE 369 -19.519 -14.093 -42.007 147 HG12 ILE 369 HG12 ILE 369 -20.548 -11.956 -42.354 148 HG13 ILE 369 HG13 ILE 369 -18.999 -11.726 -41.565 149 HG21 ILE 369 HG21 ILE 369 -17.189 -12.999 -43.569 150 HG23 ILE 369 HG22 ILE 369 -17.342 -14.634 -42.921 151 HG22 ILE 369 HG23 ILE 369 -17.227 -13.257 -41.823 152 HD13 ILE 369 HD11 ILE 369 -19.012 -10.048 -43.174 153 HD12 ILE 369 HD12 ILE 369 -19.810 -11.067 -44.373 154 HD11 ILE 369 HD13 ILE 369 -18.111 -11.333 -43.981 155 H LEU 370 H LEU 370 -20.629 -15.858 -42.868 156 HA LEU 370 HA LEU 370 -19.021 -17.979 -43.606 157 HB2 LEU 370 HB2 LEU 370 -20.640 -17.888 -41.742 158 HB3 LEU 370 HB3 LEU 370 -21.945 -17.970 -42.912 159 HG LEU 370 HG LEU 370 -20.646 -20.108 -43.699 160 HD11 LEU 370 HD11 LEU 370 -18.844 -19.504 -41.960 161 HD13 LEU 370 HD12 LEU 370 -19.331 -21.190 -42.128 162 HD12 LEU 370 HD13 LEU 370 -19.949 -20.222 -40.789 163 HD21 LEU 370 HD21 LEU 370 -22.944 -20.023 -42.908 164 HD23 LEU 370 HD22 LEU 370 -22.377 -20.035 -41.236 165 HD22 LEU 370 HD23 LEU 370 -22.104 -21.437 -42.272 166 H ARG 371 H ARG 371 -22.042 -16.738 -45.105 167 HA ARG 371 HA ARG 371 -22.286 -18.872 -46.903 168 HB2 ARG 371 HB2 ARG 371 -24.198 -17.609 -46.378 169 HB3 ARG 371 HB3 ARG 371 -23.448 -16.117 -46.928 170 HG2 ARG 371 HG2 ARG 371 -23.369 -17.074 -49.225 171 HG3 ARG 371 HG3 ARG 371 -24.262 -18.469 -48.630 172 HD2 ARG 371 HD2 ARG 371 -25.180 -15.705 -49.143 173 HD3 ARG 371 HD3 ARG 371 -26.030 -17.231 -49.344 174 HE ARG 371 HE ARG 371 -25.752 -16.945 -46.634 175 HH21 ARG 371 HH11 ARG 371 -27.231 -16.014 -45.272 176 HH22 ARG 371 HH12 ARG 371 -28.368 -14.853 -45.868 177 HH11 ARG 371 HH21 ARG 371 -27.217 -14.932 -49.157 178 HH12 ARG 371 HH22 ARG 371 -28.365 -14.239 -48.062 179 H ASP 372 H ASP 372 -21.110 -15.570 -47.527 180 HA ASP 372 HA ASP 372 -20.488 -15.727 -50.228 181 HB2 ASP 372 HB2 ASP 372 -19.074 -13.911 -49.891 182 HB3 ASP 372 HB3 ASP 372 -20.119 -13.768 -48.489 183 H GLN 373 H GLN 373 -18.550 -16.458 -47.330 184 HA GLN 373 HA GLN 373 -16.339 -17.261 -48.840 185 HB2 GLN 373 HB2 GLN 373 -16.342 -16.661 -46.355 186 HB3 GLN 373 HB3 GLN 373 -16.762 -18.347 -46.081 187 HG2 GLN 373 HG2 GLN 373 -14.542 -18.115 -47.950 188 HG3 GLN 373 HG3 GLN 373 -14.182 -17.281 -46.450 189 HE21 GLN 373 HE21 GLN 373 -12.760 -19.501 -47.329 190 HE22 GLN 373 HE22 GLN 373 -13.037 -20.802 -46.275 191 H LEU 374 H LEU 374 -18.688 -19.426 -47.177 192 HA LEU 374 HA LEU 374 -17.442 -21.744 -48.129 193 HB2 LEU 374 HB2 LEU 374 -20.099 -21.108 -47.045 194 HB3 LEU 374 HB3 LEU 374 -19.930 -22.621 -47.928 195 HG LEU 374 HG LEU 374 -18.113 -23.300 -46.495 196 HD13 LEU 374 HD11 LEU 374 -16.869 -21.463 -45.896 197 HD12 LEU 374 HD12 LEU 374 -17.792 -21.648 -44.405 198 HD11 LEU 374 HD13 LEU 374 -18.288 -20.455 -45.606 199 HD22 LEU 374 HD21 LEU 374 -19.413 -23.935 -44.640 200 HD21 LEU 374 HD22 LEU 374 -20.676 -23.478 -45.784 201 HD23 LEU 374 HD23 LEU 374 -20.193 -22.356 -44.512 202 H ARG 375 H ARG 375 -20.094 -19.901 -49.542 203 HA ARG 375 HA ARG 375 -20.562 -21.228 -51.923 204 HB2 ARG 375 HB2 ARG 375 -21.429 -18.920 -50.927 205 HB3 ARG 375 HB3 ARG 375 -20.201 -18.273 -51.995 206 HG2 ARG 375 HG2 ARG 375 -21.309 -19.055 -53.929 207 HG3 ARG 375 HG3 ARG 375 -22.289 -20.200 -53.015 208 HD2 ARG 375 HD2 ARG 375 -23.664 -18.254 -53.681 209 HD3 ARG 375 HD3 ARG 375 -23.488 -18.302 -51.930 210 HE ARG 375 HE ARG 375 -21.549 -16.668 -53.351 211 HH21 ARG 375 HH11 ARG 375 -21.606 -14.412 -52.899 212 HH22 ARG 375 HH12 ARG 375 -22.935 -13.771 -51.991 213 HH11 ARG 375 HH21 ARG 375 -24.554 -16.812 -51.620 214 HH12 ARG 375 HH22 ARG 375 -24.587 -15.115 -51.274 215 H ALA 376 H ALA 376 -18.071 -18.690 -51.430 216 HA ALA 376 HA ALA 376 -16.805 -18.958 -53.880 217 HB3 ALA 376 HB1 ALA 376 -15.713 -18.104 -51.241 218 HB1 ALA 376 HB2 ALA 376 -16.388 -17.089 -52.515 219 HB2 ALA 376 HB3 ALA 376 -14.865 -17.944 -52.776 220 H ILE 377 H ILE 377 -16.014 -20.713 -50.839 221 HA ILE 377 HA ILE 377 -13.742 -21.986 -51.929 222 HB ILE 377 HB ILE 377 -13.591 -22.585 -49.757 223 HG12 ILE 377 HG12 ILE 377 -14.450 -24.767 -49.152 224 HG13 ILE 377 HG13 ILE 377 -15.680 -24.674 -50.396 225 HG21 ILE 377 HG21 ILE 377 -16.414 -21.778 -49.699 226 HG23 ILE 377 HG22 ILE 377 -15.137 -21.497 -48.518 227 HG22 ILE 377 HG23 ILE 377 -16.024 -23.019 -48.507 228 HD13 ILE 377 HD11 ILE 377 -14.259 -25.690 -51.839 229 HD12 ILE 377 HD12 ILE 377 -13.001 -25.714 -50.605 230 HD11 ILE 377 HD13 ILE 377 -13.143 -24.333 -51.691 231 H LEU 378 H LEU 378 -17.091 -23.196 -51.564 232 HA LEU 378 HA LEU 378 -16.753 -25.591 -52.855 233 HB2 LEU 378 HB2 LEU 378 -19.107 -23.738 -52.706 234 HB3 LEU 378 HB3 LEU 378 -19.194 -25.224 -53.649 235 HG LEU 378 HG LEU 378 -18.124 -25.318 -50.883 236 HD11 LEU 378 HD11 LEU 378 -21.045 -25.075 -51.552 237 HD13 LEU 378 HD12 LEU 378 -20.084 -24.055 -50.480 238 HD12 LEU 378 HD13 LEU 378 -20.443 -25.720 -50.026 239 HD22 LEU 378 HD21 LEU 378 -19.043 -27.588 -50.915 240 HD21 LEU 378 HD22 LEU 378 -18.019 -27.316 -52.326 241 HD23 LEU 378 HD23 LEU 378 -19.775 -27.288 -52.492 242 H ARG 379 H ARG 379 -17.549 -22.468 -54.365 243 HA ARG 379 HA ARG 379 -17.753 -23.538 -56.933 244 HB2 ARG 379 HB2 ARG 379 -18.203 -21.108 -55.886 245 HB3 ARG 379 HB3 ARG 379 -16.656 -20.806 -56.651 246 HG2 ARG 379 HG2 ARG 379 -19.127 -21.833 -57.994 247 HG3 ARG 379 HG3 ARG 379 -18.486 -20.189 -58.082 248 HD2 ARG 379 HD2 ARG 379 -16.328 -21.219 -58.895 249 HD3 ARG 379 HD3 ARG 379 -17.229 -22.724 -59.087 250 HE ARG 379 HE ARG 379 -17.736 -20.214 -60.544 251 HH21 ARG 379 HH11 ARG 379 -18.720 -20.374 -62.502 252 HH22 ARG 379 HH12 ARG 379 -19.291 -21.908 -63.066 253 HH11 ARG 379 HH21 ARG 379 -18.273 -23.631 -60.204 254 HH12 ARG 379 HH22 ARG 379 -19.035 -23.773 -61.751 255 H ALA 380 H ALA 380 -14.969 -22.245 -55.118 256 HA ALA 380 HA ALA 380 -13.132 -22.349 -57.279 257 HB1 ALA 380 HB1 ALA 380 -12.776 -21.123 -55.179 258 HB3 ALA 380 HB2 ALA 380 -11.417 -22.143 -55.655 259 HB2 ALA 380 HB3 ALA 380 -12.509 -22.666 -54.371 260 H SER 381 H SER 381 -14.409 -24.863 -55.223 261 HA SER 381 HA SER 381 -12.310 -26.730 -55.565 262 HB2 SER 381 HB2 SER 381 -13.560 -28.120 -54.284 263 HB3 SER 381 HB3 SER 381 -14.438 -26.646 -53.930 264 HG SER 381 HG SER 381 -15.764 -27.333 -55.849 265 H ALA 382 H ALA 382 -14.453 -25.489 -57.808 266 HA ALA 382 HA ALA 382 -14.736 -27.919 -59.358 267 HB3 ALA 382 HB1 ALA 382 -16.411 -26.135 -59.575 268 HB1 ALA 382 HB2 ALA 382 -15.616 -26.461 -61.115 269 HB2 ALA 382 HB3 ALA 382 -15.165 -25.040 -60.173 270 H PHE 383 H PHE 383 -12.158 -26.101 -58.528 271 HA PHE 383 HA PHE 383 -10.916 -26.393 -61.173 272 HB2 PHE 383 HB2 PHE 383 -10.237 -24.147 -59.315 273 HB3 PHE 383 HB3 PHE 383 -9.878 -24.306 -61.027 274 HD1 PHE 383 HD1 PHE 383 -11.606 -22.383 -58.997 275 HD2 PHE 383 HD2 PHE 383 -12.327 -25.050 -62.220 276 HE1 PHE 383 HE1 PHE 383 -13.656 -21.080 -59.586 277 HE2 PHE 383 HE2 PHE 383 -14.363 -23.780 -62.843 278 HZ PHE 383 HZ PHE 383 -15.049 -21.779 -61.522 279 H GLY 384 H GLY 384 -10.601 -27.675 -58.224 280 HA3 GLY 384 HA2 GLY 384 -8.160 -28.872 -58.677 281 HA2 GLY 384 HA3 GLY 384 -7.803 -27.407 -57.752 282 H LYS 385 H LYS 385 -7.424 -30.049 -56.669 283 HA LYS 385 HA LYS 385 -9.723 -30.762 -55.146 284 HB2 LYS 385 HB2 LYS 385 -6.834 -31.489 -54.736 285 HB3 LYS 385 HB3 LYS 385 -8.139 -32.105 -53.741 286 HG2 LYS 385 HG2 LYS 385 -9.153 -33.153 -55.700 287 HG3 LYS 385 HG3 LYS 385 -7.870 -32.501 -56.721 288 HD2 LYS 385 HD2 LYS 385 -6.215 -33.699 -55.416 289 HD3 LYS 385 HD3 LYS 385 -7.482 -34.335 -54.378 290 HE2 LYS 385 HE2 LYS 385 -8.471 -35.509 -56.316 291 HE3 LYS 385 HE3 LYS 385 -7.194 -34.879 -57.347 292 HZ2 LYS 385 HZ1 LYS 385 -7.151 -37.127 -55.548 293 HZ1 LYS 385 HZ2 LYS 385 -5.833 -36.084 -55.307 294 HZ3 LYS 385 HZ3 LYS 385 -6.114 -36.759 -56.839 295 H LEU 386 H LEU 386 -10.644 -29.544 -53.685 296 HA LEU 386 HA LEU 386 -8.944 -28.143 -51.704 297 HB2 LEU 386 HB2 LEU 386 -11.771 -27.362 -52.229 298 HB3 LEU 386 HB3 LEU 386 -10.475 -26.415 -51.551 299 HG LEU 386 HG LEU 386 -10.822 -27.101 -54.474 300 HD13 LEU 386 HD11 LEU 386 -12.524 -25.582 -53.556 301 HD12 LEU 386 HD12 LEU 386 -11.399 -24.668 -54.561 302 HD11 LEU 386 HD13 LEU 386 -11.267 -24.599 -52.802 303 HD22 LEU 386 HD21 LEU 386 -8.635 -26.521 -54.610 304 HD21 LEU 386 HD22 LEU 386 -8.582 -26.211 -52.874 305 HD23 LEU 386 HD23 LEU 386 -9.063 -24.928 -53.984 306 H ARG 387 H ARG 387 -9.584 -28.317 -49.582 307 HA ARG 387 HA ARG 387 -11.972 -29.919 -48.987 308 HB2 ARG 387 HB2 ARG 387 -9.366 -29.884 -47.468 309 HB3 ARG 387 HB3 ARG 387 -10.865 -30.534 -46.825 310 HG2 ARG 387 HG2 ARG 387 -10.956 -32.037 -48.750 311 HG3 ARG 387 HG3 ARG 387 -9.384 -31.439 -49.240 312 HD2 ARG 387 HD2 ARG 387 -9.180 -32.281 -46.514 313 HD3 ARG 387 HD3 ARG 387 -9.994 -33.556 -47.417 314 HE ARG 387 HE ARG 387 -7.248 -32.874 -47.590 315 HH21 ARG 387 HH11 ARG 387 -5.908 -33.845 -49.127 316 HH22 ARG 387 HH12 ARG 387 -6.601 -34.568 -50.541 317 HH11 ARG 387 HH21 ARG 387 -9.912 -33.776 -49.700 318 HH12 ARG 387 HH22 ARG 387 -8.878 -34.529 -50.868 319 H ILE 388 H ILE 388 -13.099 -29.173 -47.083 320 HA ILE 388 HA ILE 388 -12.647 -26.319 -46.394 321 HB ILE 388 HB ILE 388 -15.194 -27.726 -45.631 322 HG12 ILE 388 HG12 ILE 388 -14.490 -26.951 -48.441 323 HG13 ILE 388 HG13 ILE 388 -15.197 -28.447 -47.855 324 HG22 ILE 388 HG21 ILE 388 -14.855 -24.945 -46.763 325 HG21 ILE 388 HG22 ILE 388 -14.677 -25.312 -45.047 326 HG23 ILE 388 HG23 ILE 388 -16.221 -25.589 -45.851 327 HD12 ILE 388 HD11 ILE 388 -16.496 -25.769 -48.206 328 HD11 ILE 388 HD12 ILE 388 -17.207 -27.019 -47.184 329 HD13 ILE 388 HD13 ILE 388 -16.958 -27.322 -48.904 330 H MET 389 H MET 389 -12.247 -25.830 -44.307 331 HA MET 389 HA MET 389 -12.779 -27.907 -42.290 332 HB2 MET 389 HB2 MET 389 -10.535 -28.376 -42.541 333 HB3 MET 389 HB3 MET 389 -10.152 -26.759 -43.094 334 HG2 MET 389 HG2 MET 389 -10.120 -25.924 -40.951 335 HG3 MET 389 HG3 MET 389 -10.950 -27.331 -40.299 336 HE3 MET 389 HE1 MET 389 -9.073 -29.391 -38.762 337 HE2 MET 389 HE2 MET 389 -8.663 -30.300 -40.215 338 HE1 MET 389 HE3 MET 389 -10.259 -29.567 -40.068 339 H PHE 390 H PHE 390 -13.225 -27.015 -40.334 340 HA PHE 390 HA PHE 390 -13.719 -24.110 -40.272 341 HB2 PHE 390 HB2 PHE 390 -14.961 -26.073 -38.407 342 HB3 PHE 390 HB3 PHE 390 -15.546 -24.499 -38.913 343 HD1 PHE 390 HD1 PHE 390 -16.927 -27.274 -38.870 344 HD2 PHE 390 HD2 PHE 390 -15.010 -24.963 -41.898 345 HE1 PHE 390 HE1 PHE 390 -18.338 -28.378 -40.575 346 HE2 PHE 390 HE2 PHE 390 -16.399 -26.056 -43.655 347 HZ PHE 390 HZ PHE 390 -18.096 -27.773 -42.993 No H/Q in entry = 347 In of MODEL 1 1 HA PRO 391 HA PRO 391 -10.952 -23.886 -36.788 2 HB2 PRO 391 HB2 PRO 391 -11.171 -21.211 -36.433 3 HB3 PRO 391 HB3 PRO 391 -10.287 -21.914 -37.805 4 HG2 PRO 391 HG2 PRO 391 -13.039 -20.723 -37.741 5 HG3 PRO 391 HG3 PRO 391 -11.802 -20.616 -39.001 6 HD2 PRO 391 HD2 PRO 391 -14.007 -22.368 -39.016 7 HD3 PRO 391 HD3 PRO 391 -12.522 -22.582 -39.975 8 H MET 392 H MET 392 -11.042 -23.315 -34.497 9 HA MET 392 HA MET 392 -11.983 -23.110 -32.441 10 HB2 MET 392 HB2 MET 392 -13.681 -21.158 -33.929 11 HB3 MET 392 HB3 MET 392 -13.589 -21.281 -32.182 12 HG2 MET 392 HG2 MET 392 -11.375 -20.547 -34.083 13 HG3 MET 392 HG3 MET 392 -12.160 -19.502 -32.912 14 HE1 MET 392 HE1 MET 392 -9.729 -22.383 -33.638 15 HE3 MET 392 HE2 MET 392 -8.502 -22.244 -32.382 16 HE2 MET 392 HE3 MET 392 -8.766 -20.905 -33.497 17 H ILE 393 H ILE 393 -13.352 -25.176 -34.072 18 HA ILE 393 HA ILE 393 -16.086 -25.278 -33.356 19 HB ILE 393 HB ILE 393 -14.639 -26.679 -34.999 20 HG12 ILE 393 HG12 ILE 393 -16.417 -28.581 -34.603 21 HG13 ILE 393 HG13 ILE 393 -17.087 -27.422 -33.473 22 HG23 ILE 393 HG21 ILE 393 -13.819 -28.750 -34.253 23 HG22 ILE 393 HG22 ILE 393 -14.580 -28.577 -32.671 24 HG21 ILE 393 HG23 ILE 393 -13.216 -27.549 -33.110 25 HD11 ILE 393 HD11 ILE 393 -17.021 -25.778 -35.398 26 HD13 ILE 393 HD12 ILE 393 -18.221 -27.071 -35.458 27 HD12 ILE 393 HD13 ILE 393 -16.748 -27.186 -36.424 28 H ILE 394 H ILE 394 -17.099 -25.930 -31.589 29 HA ILE 394 HA ILE 394 -15.468 -26.864 -29.334 30 HB ILE 394 HB ILE 394 -16.751 -25.400 -27.917 31 HG12 ILE 394 HG12 ILE 394 -17.921 -24.431 -30.485 32 HG13 ILE 394 HG13 ILE 394 -18.734 -25.421 -29.271 33 HG21 ILE 394 HG21 ILE 394 -14.757 -24.592 -29.708 34 HG23 ILE 394 HG22 ILE 394 -15.192 -23.889 -28.150 35 HG22 ILE 394 HG23 ILE 394 -15.950 -23.295 -29.628 36 HD12 ILE 394 HD11 ILE 394 -17.619 -22.683 -28.938 37 HD11 ILE 394 HD12 ILE 394 -18.216 -23.687 -27.616 38 HD13 ILE 394 HD13 ILE 394 -19.310 -23.168 -28.901 39 H SER 395 H SER 395 -18.329 -27.353 -31.108 40 HA SER 395 HA SER 395 -19.223 -29.394 -29.194 41 HB2 SER 395 HB2 SER 395 -20.383 -27.342 -28.574 42 HB3 SER 395 HB3 SER 395 -20.880 -27.089 -30.238 43 HG SER 395 HG SER 395 -21.806 -28.934 -28.329 44 H VAL 396 H VAL 396 -20.847 -30.860 -30.138 45 HA VAL 396 HA VAL 396 -20.493 -31.350 -32.944 46 HB VAL 396 HB VAL 396 -21.795 -33.210 -32.663 47 HG12 VAL 396 HG11 VAL 396 -20.962 -32.626 -29.830 48 HG11 VAL 396 HG12 VAL 396 -19.949 -33.351 -31.077 49 HG13 VAL 396 HG13 VAL 396 -21.372 -34.210 -30.485 50 HG21 VAL 396 HG21 VAL 396 -23.305 -31.691 -30.524 51 HG23 VAL 396 HG22 VAL 396 -23.605 -33.382 -30.924 52 HG22 VAL 396 HG23 VAL 396 -23.880 -32.129 -32.134 53 H GLU 397 H GLU 397 -22.830 -29.660 -30.873 54 HA GLU 397 HA GLU 397 -24.850 -29.124 -32.691 55 HB2 GLU 397 HB2 GLU 397 -23.654 -27.261 -30.669 56 HB3 GLU 397 HB3 GLU 397 -25.097 -26.898 -31.595 57 HG2 GLU 397 HG2 GLU 397 -26.215 -28.848 -30.636 58 HG3 GLU 397 HG3 GLU 397 -24.762 -29.258 -29.745 59 H GLU 398 H GLU 398 -21.899 -27.139 -32.309 60 HA GLU 398 HA GLU 398 -22.399 -25.344 -34.360 61 HB2 GLU 398 HB2 GLU 398 -19.861 -26.293 -33.119 62 HB3 GLU 398 HB3 GLU 398 -19.801 -25.251 -34.528 63 HG2 GLU 398 HG2 GLU 398 -19.650 -24.036 -32.449 64 HG3 GLU 398 HG3 GLU 398 -21.052 -23.584 -33.401 65 H VAL 399 H VAL 399 -20.544 -28.390 -34.677 66 HA VAL 399 HA VAL 399 -19.968 -28.144 -37.399 67 HB VAL 399 HB VAL 399 -20.525 -30.707 -35.928 68 HG13 VAL 399 HG11 VAL 399 -20.550 -31.129 -38.213 69 HG12 VAL 399 HG12 VAL 399 -18.915 -31.525 -37.680 70 HG11 VAL 399 HG13 VAL 399 -19.228 -30.004 -38.518 71 HG23 VAL 399 HG21 VAL 399 -17.925 -29.195 -36.363 72 HG22 VAL 399 HG22 VAL 399 -18.092 -30.754 -35.555 73 HG21 VAL 399 HG23 VAL 399 -18.794 -29.307 -34.833 74 H ARG 400 H ARG 400 -22.859 -29.725 -35.980 75 HA ARG 400 HA ARG 400 -23.886 -30.514 -38.476 76 HB2 ARG 400 HB2 ARG 400 -24.700 -31.422 -36.332 77 HB3 ARG 400 HB3 ARG 400 -25.444 -29.871 -35.980 78 HG2 ARG 400 HG2 ARG 400 -26.810 -30.090 -37.960 79 HG3 ARG 400 HG3 ARG 400 -26.064 -31.652 -38.294 80 HD2 ARG 400 HD2 ARG 400 -28.111 -32.018 -37.188 81 HD3 ARG 400 HD3 ARG 400 -26.795 -32.400 -36.079 82 HE ARG 400 HE ARG 400 -27.506 -29.712 -35.717 83 HH21 ARG 400 HH11 ARG 400 -28.775 -29.037 -34.016 84 HH22 ARG 400 HH12 ARG 400 -29.795 -30.163 -33.184 85 HH11 ARG 400 HH21 ARG 400 -28.929 -32.902 -35.193 86 HH12 ARG 400 HH22 ARG 400 -29.885 -32.368 -33.852 87 H ALA 401 H ALA 401 -24.142 -27.453 -36.686 88 HA ALA 401 HA ALA 401 -26.286 -26.549 -38.298 89 HB1 ALA 401 HB1 ALA 401 -24.364 -24.936 -36.644 90 HB3 ALA 401 HB2 ALA 401 -25.910 -25.593 -36.109 91 HB2 ALA 401 HB3 ALA 401 -25.865 -24.343 -37.353 92 H LEU 402 H LEU 402 -22.855 -26.524 -38.616 93 HA LEU 402 HA LEU 402 -22.794 -24.575 -40.728 94 HB2 LEU 402 HB2 LEU 402 -20.791 -26.209 -39.283 95 HB3 LEU 402 HB3 LEU 402 -20.356 -25.590 -40.835 96 HG LEU 402 HG LEU 402 -19.518 -24.471 -38.715 97 HD12 LEU 402 HD11 LEU 402 -19.548 -22.286 -39.787 98 HD11 LEU 402 HD12 LEU 402 -20.770 -22.879 -40.912 99 HD13 LEU 402 HD13 LEU 402 -19.161 -23.602 -40.895 100 HD23 LEU 402 HD21 LEU 402 -21.089 -22.414 -38.164 101 HD22 LEU 402 HD22 LEU 402 -21.284 -23.937 -37.298 102 HD21 LEU 402 HD23 LEU 402 -22.374 -23.532 -38.624 103 H ARG 403 H ARG 403 -22.608 -28.092 -40.516 104 HA ARG 403 HA ARG 403 -22.027 -28.716 -43.241 105 HB2 ARG 403 HB2 ARG 403 -23.579 -30.125 -41.093 106 HB3 ARG 403 HB3 ARG 403 -23.293 -30.816 -42.681 107 HG2 ARG 403 HG2 ARG 403 -20.996 -29.856 -41.012 108 HG3 ARG 403 HG3 ARG 403 -21.711 -31.446 -40.732 109 HD2 ARG 403 HD2 ARG 403 -21.467 -31.203 -43.488 110 HD3 ARG 403 HD3 ARG 403 -19.963 -30.573 -42.823 111 HE ARG 403 HE ARG 403 -20.243 -32.834 -41.428 112 HH21 ARG 403 HH11 ARG 403 -19.537 -34.892 -42.014 113 HH22 ARG 403 HH12 ARG 403 -19.458 -35.330 -43.688 114 HH11 ARG 403 HH21 ARG 403 -20.608 -32.207 -44.837 115 HH12 ARG 403 HH22 ARG 403 -20.075 -33.784 -45.315 116 H LYS 404 H LYS 404 -24.950 -28.181 -41.409 117 HA LYS 404 HA LYS 404 -26.868 -28.685 -43.409 118 HB2 LYS 404 HB2 LYS 404 -26.709 -27.444 -40.785 119 HB3 LYS 404 HB3 LYS 404 -27.839 -26.626 -41.841 120 HG2 LYS 404 HG2 LYS 404 -28.595 -29.194 -42.221 121 HG3 LYS 404 HG3 LYS 404 -28.030 -29.249 -40.539 122 HD2 LYS 404 HD2 LYS 404 -30.403 -28.527 -40.663 123 HD3 LYS 404 HD3 LYS 404 -29.366 -27.261 -40.003 124 HE2 LYS 404 HE2 LYS 404 -29.191 -26.512 -42.557 125 HE3 LYS 404 HE3 LYS 404 -30.685 -27.407 -42.720 126 HZ3 LYS 404 HZ1 LYS 404 -31.431 -25.286 -42.337 127 HZ2 LYS 404 HZ2 LYS 404 -30.161 -24.892 -41.279 128 HZ1 LYS 404 HZ3 LYS 404 -31.430 -25.892 -40.752 129 H GLU 405 H GLU 405 -25.144 -25.796 -42.351 130 HA GLU 405 HA GLU 405 -26.192 -24.028 -44.251 131 HB2 GLU 405 HB2 GLU 405 -24.424 -23.887 -42.156 132 HB3 GLU 405 HB3 GLU 405 -23.428 -23.535 -43.558 133 HG2 GLU 405 HG2 GLU 405 -24.436 -21.516 -42.501 134 HG3 GLU 405 HG3 GLU 405 -24.837 -21.706 -44.197 135 H ILE 406 H ILE 406 -23.147 -25.980 -44.449 136 HA ILE 406 HA ILE 406 -22.449 -25.259 -47.033 137 HB ILE 406 HB ILE 406 -22.174 -27.881 -45.586 138 HG12 ILE 406 HG12 ILE 406 -20.039 -25.980 -46.520 139 HG13 ILE 406 HG13 ILE 406 -20.874 -25.759 -44.993 140 HG22 ILE 406 HG21 ILE 406 -20.544 -28.510 -47.384 141 HG21 ILE 406 HG22 ILE 406 -21.207 -27.196 -48.357 142 HG23 ILE 406 HG23 ILE 406 -22.237 -28.545 -47.877 143 HD13 ILE 406 HD11 ILE 406 -19.626 -27.297 -44.012 144 HD12 ILE 406 HD12 ILE 406 -18.626 -27.295 -45.466 145 HD11 ILE 406 HD13 ILE 406 -19.938 -28.462 -45.297 146 H GLU 407 H GLU 407 -24.642 -27.969 -46.139 147 HA GLU 407 HA GLU 407 -25.274 -28.753 -48.674 148 HB2 GLU 407 HB2 GLU 407 -26.809 -28.877 -46.114 149 HB3 GLU 407 HB3 GLU 407 -27.431 -29.571 -47.604 150 HG2 GLU 407 HG2 GLU 407 -24.999 -30.351 -46.031 151 HG3 GLU 407 HG3 GLU 407 -26.344 -31.355 -46.549 152 H ILE 408 H ILE 408 -26.679 -26.033 -46.935 153 HA ILE 408 HA ILE 408 -28.748 -25.560 -48.849 154 HB ILE 408 HB ILE 408 -27.468 -23.736 -46.828 155 HG12 ILE 408 HG12 ILE 408 -30.134 -25.173 -46.852 156 HG13 ILE 408 HG13 ILE 408 -28.750 -25.597 -45.869 157 HG22 ILE 408 HG21 ILE 408 -29.565 -22.339 -47.286 158 HG21 ILE 408 HG22 ILE 408 -29.685 -23.251 -48.791 159 HG23 ILE 408 HG23 ILE 408 -28.255 -22.270 -48.466 160 HD11 ILE 408 HD11 ILE 408 -29.038 -23.132 -44.902 161 HD13 ILE 408 HD12 ILE 408 -30.089 -24.425 -44.323 162 HD12 ILE 408 HD13 ILE 408 -30.678 -23.288 -45.536 163 H TYR 409 H TYR 409 -25.559 -24.100 -48.312 164 HA TYR 409 HA TYR 409 -25.593 -22.414 -50.552 165 HB2 TYR 409 HB2 TYR 409 -23.222 -23.670 -49.182 166 HB3 TYR 409 HB3 TYR 409 -23.201 -22.253 -50.222 167 HD1 TYR 409 HD1 TYR 409 -22.471 -22.706 -47.084 168 HD2 TYR 409 HD2 TYR 409 -25.708 -20.959 -49.258 169 HE1 TYR 409 HE1 TYR 409 -23.012 -21.236 -45.140 170 HE2 TYR 409 HE2 TYR 409 -26.254 -19.543 -47.388 171 HH TYR 409 HH TYR 409 -25.617 -18.728 -45.541 172 H LYS 410 H LYS 410 -24.883 -25.859 -50.234 173 HA LYS 410 HA LYS 410 -23.523 -26.118 -52.718 174 HB2 LYS 410 HB2 LYS 410 -24.963 -28.021 -50.906 175 HB3 LYS 410 HB3 LYS 410 -24.573 -28.537 -52.530 176 HG2 LYS 410 HG2 LYS 410 -22.172 -28.089 -52.045 177 HG3 LYS 410 HG3 LYS 410 -22.617 -27.680 -50.389 178 HD2 LYS 410 HD2 LYS 410 -23.570 -29.876 -50.092 179 HD3 LYS 410 HD3 LYS 410 -23.178 -30.285 -51.755 180 HE2 LYS 410 HE2 LYS 410 -20.745 -29.611 -50.965 181 HE3 LYS 410 HE3 LYS 410 -21.408 -30.054 -49.388 182 HZ3 LYS 410 HZ1 LYS 410 -20.847 -32.100 -50.054 183 HZ2 LYS 410 HZ2 LYS 410 -20.879 -31.704 -51.707 184 HZ1 LYS 410 HZ3 LYS 410 -22.327 -32.035 -50.880 185 H GLN 411 H GLN 411 -26.929 -26.430 -51.747 186 HA GLN 411 HA GLN 411 -27.911 -27.267 -54.252 187 HB2 GLN 411 HB2 GLN 411 -29.015 -26.418 -51.740 188 HB3 GLN 411 HB3 GLN 411 -29.886 -25.669 -53.056 189 HG2 GLN 411 HG2 GLN 411 -29.701 -28.530 -52.271 190 HG3 GLN 411 HG3 GLN 411 -31.107 -27.572 -52.696 191 HE21 GLN 411 HE21 GLN 411 -29.656 -30.186 -53.615 192 HE22 GLN 411 HE22 GLN 411 -29.751 -30.085 -55.307 193 H GLU 412 H GLU 412 -27.721 -24.052 -52.769 194 HA GLU 412 HA GLU 412 -28.940 -22.613 -54.784 195 HB2 GLU 412 HB2 GLU 412 -26.624 -21.838 -53.027 196 HB3 GLU 412 HB3 GLU 412 -27.587 -20.720 -53.985 197 HG2 GLU 412 HG2 GLU 412 -29.597 -21.403 -52.741 198 HG3 GLU 412 HG3 GLU 412 -28.628 -22.505 -51.782 199 H LEU 413 H LEU 413 -25.458 -23.430 -54.476 200 HA LEU 413 HA LEU 413 -24.683 -22.382 -56.941 201 HB2 LEU 413 HB2 LEU 413 -23.581 -24.784 -55.524 202 HB3 LEU 413 HB3 LEU 413 -22.844 -24.028 -56.921 203 HG LEU 413 HG LEU 413 -23.324 -22.747 -54.240 204 HD12 LEU 413 HD11 LEU 413 -20.789 -22.805 -54.182 205 HD11 LEU 413 HD12 LEU 413 -20.891 -23.936 -55.533 206 HD13 LEU 413 HD13 LEU 413 -21.631 -24.342 -53.984 207 HD21 LEU 413 HD21 LEU 413 -22.182 -21.610 -56.797 208 HD23 LEU 413 HD22 LEU 413 -21.646 -20.997 -55.232 209 HD22 LEU 413 HD23 LEU 413 -23.348 -20.889 -55.685 210 H ARG 414 H ARG 414 -25.718 -25.760 -56.335 211 HA ARG 414 HA ARG 414 -25.832 -26.760 -58.918 212 HB2 ARG 414 HB2 ARG 414 -27.466 -27.246 -56.485 213 HB3 ARG 414 HB3 ARG 414 -27.991 -27.934 -58.014 214 HG2 ARG 414 HG2 ARG 414 -25.762 -29.008 -58.265 215 HG3 ARG 414 HG3 ARG 414 -25.285 -28.355 -56.713 216 HD2 ARG 414 HD2 ARG 414 -27.559 -30.314 -57.118 217 HD3 ARG 414 HD3 ARG 414 -25.924 -30.760 -56.627 218 HE ARG 414 HE ARG 414 -27.752 -29.049 -55.071 219 HH21 ARG 414 HH11 ARG 414 -27.548 -29.046 -52.887 220 HH22 ARG 414 HH12 ARG 414 -26.332 -30.006 -52.113 221 HH11 ARG 414 HH21 ARG 414 -25.026 -31.307 -55.118 222 HH12 ARG 414 HH22 ARG 414 -24.882 -31.306 -53.392 223 H ASP 415 H ASP 415 -28.174 -24.623 -57.381 224 HA ASP 415 HA ASP 415 -30.053 -24.746 -59.526 225 HB2 ASP 415 HB2 ASP 415 -29.763 -22.942 -57.136 226 HB3 ASP 415 HB3 ASP 415 -31.086 -22.813 -58.284 227 H GLU 416 H GLU 416 -27.281 -22.787 -58.912 228 HA GLU 416 HA GLU 416 -28.193 -20.745 -60.802 229 HB2 GLU 416 HB2 GLU 416 -25.597 -20.774 -59.338 230 HB3 GLU 416 HB3 GLU 416 -26.431 -19.416 -60.050 231 HG2 GLU 416 HG2 GLU 416 -28.152 -19.641 -58.299 232 HG3 GLU 416 HG3 GLU 416 -27.166 -20.903 -57.561 233 H GLY 417 H GLY 417 -26.865 -23.672 -61.128 234 HA3 GLY 417 HA2 GLY 417 -25.749 -24.749 -62.818 235 HA2 GLY 417 HA3 GLY 417 -25.874 -23.256 -63.741 236 H LYS 418 H LYS 418 -24.307 -23.991 -60.713 237 HA LYS 418 HA LYS 418 -21.685 -23.132 -61.727 238 HB2 LYS 418 HB2 LYS 418 -23.172 -22.481 -59.222 239 HB3 LYS 418 HB3 LYS 418 -21.421 -22.427 -59.250 240 HG2 LYS 418 HG2 LYS 418 -21.592 -20.875 -61.161 241 HG3 LYS 418 HG3 LYS 418 -23.331 -20.845 -60.902 242 HD2 LYS 418 HD2 LYS 418 -22.939 -20.048 -58.576 243 HD3 LYS 418 HD3 LYS 418 -21.208 -19.988 -58.921 244 HE2 LYS 418 HE2 LYS 418 -21.399 -18.167 -60.310 245 HE3 LYS 418 HE3 LYS 418 -22.992 -18.633 -60.877 246 HZ2 LYS 418 HZ1 LYS 418 -22.263 -17.258 -58.396 247 HZ1 LYS 418 HZ2 LYS 418 -23.790 -17.963 -58.639 248 HZ3 LYS 418 HZ3 LYS 418 -23.254 -16.713 -59.658 249 H ALA 419 H ALA 419 -20.420 -24.845 -61.835 250 HA ALA 419 HA ALA 419 -20.707 -27.302 -60.524 251 HB2 ALA 419 HB1 ALA 419 -18.627 -27.919 -61.522 252 HB3 ALA 419 HB2 ALA 419 -18.057 -26.250 -61.561 253 HB1 ALA 419 HB3 ALA 419 -19.337 -26.769 -62.658 254 H PHE 420 H PHE 420 -19.700 -28.210 -58.857 255 HA PHE 420 HA PHE 420 -17.529 -27.020 -57.507 256 HB2 PHE 420 HB2 PHE 420 -18.510 -27.075 -55.256 257 HB3 PHE 420 HB3 PHE 420 -19.314 -25.889 -56.265 258 HD1 PHE 420 HD1 PHE 420 -19.642 -29.239 -54.701 259 HD2 PHE 420 HD2 PHE 420 -21.631 -26.080 -56.749 260 HE1 PHE 420 HE1 PHE 420 -21.824 -30.264 -54.128 261 HE2 PHE 420 HE2 PHE 420 -23.788 -27.101 -56.188 262 HZ PHE 420 HZ PHE 420 -23.897 -29.195 -54.909 263 H ASP 421 H ASP 421 -16.522 -28.651 -56.237 264 HA ASP 421 HA ASP 421 -16.689 -31.247 -57.378 265 HB2 ASP 421 HB2 ASP 421 -14.594 -30.228 -56.476 266 HB3 ASP 421 HB3 ASP 421 -15.294 -30.232 -54.866 267 H GLU 422 H GLU 422 -18.452 -32.521 -56.920 268 HA GLU 422 HA GLU 422 -20.050 -32.139 -54.574 269 HB2 GLU 422 HB2 GLU 422 -20.025 -34.412 -56.546 270 HB3 GLU 422 HB3 GLU 422 -21.147 -34.294 -55.210 271 HG2 GLU 422 HG2 GLU 422 -20.976 -32.082 -57.262 272 HG3 GLU 422 HG3 GLU 422 -21.880 -33.536 -57.615 273 H SER 423 H SER 423 -17.135 -33.785 -55.072 274 HA SER 423 HA SER 423 -17.401 -35.858 -53.067 275 HB2 SER 423 HB2 SER 423 -15.399 -34.865 -54.996 276 HB3 SER 423 HB3 SER 423 -14.736 -35.535 -53.511 277 HG SER 423 HG SER 423 -16.766 -36.864 -54.923 278 H ILE 424 H ILE 424 -17.118 -32.590 -52.734 279 HA ILE 424 HA ILE 424 -14.644 -32.271 -51.636 280 HB ILE 424 HB ILE 424 -15.841 -30.377 -52.480 281 HG12 ILE 424 HG12 ILE 424 -15.429 -29.809 -49.572 282 HG13 ILE 424 HG13 ILE 424 -14.084 -30.288 -50.593 283 HG23 ILE 424 HG21 ILE 424 -17.804 -29.483 -51.593 284 HG22 ILE 424 HG22 ILE 424 -17.619 -30.338 -50.061 285 HG21 ILE 424 HG23 ILE 424 -18.072 -31.225 -51.517 286 HD13 ILE 424 HD11 ILE 424 -14.115 -27.987 -50.535 287 HD12 ILE 424 HD12 ILE 424 -15.854 -27.932 -50.832 288 HD11 ILE 424 HD13 ILE 424 -14.753 -28.460 -52.106 289 H GLU 425 H GLU 425 -13.702 -32.546 -49.764 290 HA GLU 425 HA GLU 425 -15.382 -33.748 -47.729 291 HB2 GLU 425 HB2 GLU 425 -12.407 -33.513 -47.657 292 HB3 GLU 425 HB3 GLU 425 -13.434 -34.595 -46.736 293 HG2 GLU 425 HG2 GLU 425 -13.950 -35.869 -48.677 294 HG3 GLU 425 HG3 GLU 425 -13.166 -34.684 -49.726 295 H ILE 426 H ILE 426 -15.480 -33.207 -45.709 296 HA ILE 426 HA ILE 426 -14.806 -30.429 -45.036 297 HB ILE 426 HB ILE 426 -17.200 -32.084 -44.273 298 HG12 ILE 426 HG12 ILE 426 -16.689 -30.123 -46.492 299 HG13 ILE 426 HG13 ILE 426 -17.125 -31.809 -46.638 300 HG23 ILE 426 HG21 ILE 426 -16.984 -30.385 -42.666 301 HG22 ILE 426 HG22 ILE 426 -18.106 -29.711 -43.848 302 HG21 ILE 426 HG23 ILE 426 -16.414 -29.212 -43.853 303 HD13 ILE 426 HD11 ILE 426 -19.222 -31.251 -46.747 304 HD12 ILE 426 HD12 ILE 426 -18.762 -29.552 -46.625 305 HD11 ILE 426 HD13 ILE 426 -19.123 -30.478 -45.167 306 H GLY 427 H GLY 427 -13.806 -30.135 -43.096 307 HA3 GLY 427 HA2 GLY 427 -13.916 -32.276 -41.083 308 HA2 GLY 427 HA3 GLY 427 -12.332 -31.765 -41.650 309 H VAL 428 H VAL 428 -12.208 -31.325 -39.202 310 HA VAL 428 HA VAL 428 -13.008 -28.522 -38.824 311 HB VAL 428 HB VAL 428 -13.692 -29.046 -36.480 312 HG13 VAL 428 HG11 VAL 428 -15.460 -28.618 -37.906 313 HG12 VAL 428 HG12 VAL 428 -15.891 -30.151 -37.145 314 HG11 VAL 428 HG13 VAL 428 -15.243 -30.131 -38.786 315 HG23 VAL 428 HG21 VAL 428 -14.336 -31.387 -35.952 316 HG22 VAL 428 HG22 VAL 428 -12.598 -31.174 -36.170 317 HG21 VAL 428 HG23 VAL 428 -13.566 -31.902 -37.453 318 H MET 429 H MET 429 -11.747 -27.398 -37.383 319 HA MET 429 HA MET 429 -9.049 -28.331 -36.912 320 HB2 MET 429 HB2 MET 429 -10.743 -25.972 -36.061 321 HB3 MET 429 HB3 MET 429 -9.140 -26.234 -35.399 322 HG2 MET 429 HG2 MET 429 -8.430 -26.296 -37.931 323 HG3 MET 429 HG3 MET 429 -9.943 -25.423 -38.164 324 HE2 MET 429 HE1 MET 429 -5.919 -24.070 -36.190 325 HE1 MET 429 HE2 MET 429 -6.250 -25.342 -37.360 326 HE3 MET 429 HE3 MET 429 -6.740 -25.556 -35.683 327 H VAL 430 H VAL 430 -8.527 -29.480 -35.023 328 HA VAL 430 HA VAL 430 -10.545 -29.397 -32.854 329 HB VAL 430 HB VAL 430 -8.313 -31.391 -33.303 330 HG12 VAL 430 HG11 VAL 430 -9.414 -32.584 -31.343 331 HG11 VAL 430 HG12 VAL 430 -10.220 -31.052 -31.004 332 HG13 VAL 430 HG13 VAL 430 -8.459 -31.149 -30.973 333 HG21 VAL 430 HG21 VAL 430 -11.298 -31.717 -33.437 334 HG23 VAL 430 HG22 VAL 430 -10.129 -33.035 -33.509 335 HG22 VAL 430 HG23 VAL 430 -10.158 -31.810 -34.778 336 H GLU 431 H GLU 431 -9.857 -27.403 -31.955 337 HA GLU 431 HA GLU 431 -7.064 -27.342 -31.048 338 HB2 GLU 431 HB2 GLU 431 -7.516 -26.150 -33.258 339 HB3 GLU 431 HB3 GLU 431 -8.381 -24.971 -32.297 340 HG2 GLU 431 HG2 GLU 431 -6.371 -24.471 -31.057 341 HG3 GLU 431 HG3 GLU 431 -5.495 -25.722 -31.939 342 H THR 432 H THR 432 -9.962 -27.477 -30.192 343 HA THR 432 HA THR 432 -9.841 -25.685 -27.855 344 HB THR 432 HB THR 432 -12.127 -27.009 -29.315 345 HG1 THR 432 HG1 THR 432 -12.314 -24.487 -29.745 346 HG21 THR 432 HG21 THR 432 -12.460 -26.449 -26.979 347 HG23 THR 432 HG22 THR 432 -13.571 -25.701 -28.129 348 HG22 THR 432 HG23 THR 432 -12.253 -24.761 -27.426 No H/Q in entry = 348 In of MODEL 1 1 HA PRO 433 HA PRO 433 -9.446 -29.612 -25.639 2 HB2 PRO 433 HB2 PRO 433 -10.787 -28.241 -23.374 3 HB3 PRO 433 HB3 PRO 433 -9.171 -28.967 -23.443 4 HG2 PRO 433 HG2 PRO 433 -9.542 -26.344 -23.334 5 HG3 PRO 433 HG3 PRO 433 -8.217 -27.075 -24.273 6 HD2 PRO 433 HD2 PRO 433 -10.843 -25.992 -25.240 7 HD3 PRO 433 HD3 PRO 433 -9.220 -25.839 -25.956 8 H ALA 434 H ALA 434 -12.434 -27.722 -25.784 9 HA ALA 434 HA ALA 434 -14.275 -29.736 -25.048 10 HB3 ALA 434 HB1 ALA 434 -14.814 -27.353 -25.467 11 HB1 ALA 434 HB2 ALA 434 -15.877 -28.505 -26.277 12 HB2 ALA 434 HB3 ALA 434 -14.615 -27.673 -27.189 13 H ALA 435 H ALA 435 -13.189 -28.736 -28.285 14 HA ALA 435 HA ALA 435 -14.388 -30.824 -29.675 15 HB3 ALA 435 HB1 ALA 435 -13.366 -28.945 -30.859 16 HB2 ALA 435 HB2 ALA 435 -12.717 -30.470 -31.464 17 HB1 ALA 435 HB3 ALA 435 -11.761 -29.479 -30.360 18 H ALA 436 H ALA 436 -11.205 -30.715 -28.135 19 HA ALA 436 HA ALA 436 -10.347 -33.200 -29.094 20 HB1 ALA 436 HB1 ALA 436 -8.663 -31.915 -28.139 21 HB2 ALA 436 HB2 ALA 436 -8.905 -33.216 -26.972 22 HB3 ALA 436 HB3 ALA 436 -9.592 -31.617 -26.671 23 H THR 437 H THR 437 -12.176 -32.321 -26.213 24 HA THR 437 HA THR 437 -12.266 -34.840 -24.998 25 HB THR 437 HB THR 437 -14.338 -33.844 -23.901 26 HG1 THR 437 HG1 THR 437 -13.505 -31.381 -24.658 27 HG21 THR 437 HG21 THR 437 -11.630 -32.464 -23.809 28 HG23 THR 437 HG22 THR 437 -12.135 -33.833 -22.817 29 HG22 THR 437 HG23 THR 437 -12.900 -32.258 -22.602 30 H ILE 438 H ILE 438 -14.378 -33.464 -27.409 31 HA ILE 438 HA ILE 438 -16.092 -35.837 -27.272 32 HB ILE 438 HB ILE 438 -16.817 -33.162 -27.197 33 HG12 ILE 438 HG12 ILE 438 -19.123 -34.013 -27.467 34 HG13 ILE 438 HG13 ILE 438 -18.490 -35.533 -28.065 35 HG22 ILE 438 HG21 ILE 438 -17.652 -34.130 -29.933 36 HG21 ILE 438 HG22 ILE 438 -16.220 -33.129 -29.690 37 HG23 ILE 438 HG23 ILE 438 -17.811 -32.514 -29.241 38 HD13 ILE 438 HD11 ILE 438 -17.638 -36.126 -25.951 39 HD12 ILE 438 HD12 ILE 438 -19.231 -35.442 -25.627 40 HD11 ILE 438 HD13 ILE 438 -17.783 -34.479 -25.340 41 H ALA 439 H ALA 439 -13.433 -35.308 -28.577 42 HA ALA 439 HA ALA 439 -13.573 -35.172 -31.307 43 HB3 ALA 439 HB1 ALA 439 -11.571 -36.461 -31.400 44 HB1 ALA 439 HB2 ALA 439 -11.874 -37.134 -29.797 45 HB2 ALA 439 HB3 ALA 439 -11.505 -35.419 -29.979 46 H ARG 440 H ARG 440 -14.492 -38.042 -29.307 47 HA ARG 440 HA ARG 440 -14.636 -39.753 -31.557 48 HB2 ARG 440 HB2 ARG 440 -16.260 -39.962 -29.028 49 HB3 ARG 440 HB3 ARG 440 -16.230 -41.171 -30.296 50 HG2 ARG 440 HG2 ARG 440 -13.607 -40.373 -29.180 51 HG3 ARG 440 HG3 ARG 440 -14.672 -41.234 -28.092 52 HD2 ARG 440 HD2 ARG 440 -14.818 -42.997 -30.096 53 HD3 ARG 440 HD3 ARG 440 -13.327 -42.234 -30.622 54 HE ARG 440 HE ARG 440 -12.295 -43.555 -29.057 55 HH21 ARG 440 HH11 ARG 440 -11.982 -44.724 -27.078 56 HH22 ARG 440 HH12 ARG 440 -13.247 -44.741 -25.895 57 HH11 ARG 440 HH21 ARG 440 -15.470 -42.777 -27.719 58 HH12 ARG 440 HH22 ARG 440 -15.192 -43.656 -26.253 59 H HIS 441 H HIS 441 -17.189 -37.981 -29.858 60 HA HIS 441 HA HIS 441 -19.265 -38.444 -31.632 61 HB2 HIS 441 HB2 HIS 441 -18.649 -36.088 -29.926 62 HB3 HIS 441 HB3 HIS 441 -20.063 -36.130 -30.964 63 HD1 HIS 441 HD1 HIS 441 -21.212 -38.805 -30.601 64 HD2 HIS 441 HD2 HIS 441 -19.462 -36.749 -27.439 65 HE1 HIS 441 HE1 HIS 441 -22.199 -39.822 -28.510 66 HE2 HIS 441 HE2 HIS 441 -21.137 -38.542 -26.607 67 H LEU 442 H LEU 442 -16.765 -35.933 -31.911 68 HA LEU 442 HA LEU 442 -18.080 -34.666 -34.100 69 HB2 LEU 442 HB2 LEU 442 -15.231 -34.498 -33.226 70 HB3 LEU 442 HB3 LEU 442 -15.913 -33.545 -34.502 71 HG LEU 442 HG LEU 442 -16.546 -33.371 -31.565 72 HD12 LEU 442 HD11 LEU 442 -15.511 -31.044 -31.841 73 HD11 LEU 442 HD12 LEU 442 -14.891 -31.611 -33.392 74 HD13 LEU 442 HD13 LEU 442 -14.396 -32.411 -31.900 75 HD22 LEU 442 HD21 LEU 442 -18.275 -32.052 -31.941 76 HD21 LEU 442 HD22 LEU 442 -18.233 -32.642 -33.603 77 HD23 LEU 442 HD23 LEU 442 -17.414 -31.138 -33.178 78 H ALA 443 H ALA 443 -15.637 -37.147 -33.868 79 HA ALA 443 HA ALA 443 -14.744 -37.198 -36.504 80 HB2 ALA 443 HB1 ALA 443 -14.942 -39.589 -34.703 81 HB3 ALA 443 HB2 ALA 443 -13.670 -38.369 -34.630 82 HB1 ALA 443 HB3 ALA 443 -13.856 -39.365 -36.074 83 H LYS 444 H LYS 444 -17.743 -38.537 -35.293 84 HA LYS 444 HA LYS 444 -18.396 -40.143 -37.607 85 HB2 LYS 444 HB2 LYS 444 -20.309 -38.800 -35.685 86 HB3 LYS 444 HB3 LYS 444 -20.709 -40.052 -36.838 87 HG2 LYS 444 HG2 LYS 444 -19.608 -41.701 -35.578 88 HG3 LYS 444 HG3 LYS 444 -18.758 -40.502 -34.602 89 HD2 LYS 444 HD2 LYS 444 -21.119 -39.704 -33.896 90 HD3 LYS 444 HD3 LYS 444 -21.681 -41.242 -34.534 91 HE2 LYS 444 HE2 LYS 444 -20.226 -42.448 -32.973 92 HE3 LYS 444 HE3 LYS 444 -19.585 -40.922 -32.367 93 HZ1 LYS 444 HZ1 LYS 444 -22.441 -40.973 -32.306 94 HZ3 LYS 444 HZ2 LYS 444 -21.342 -40.656 -31.049 95 HZ2 LYS 444 HZ3 LYS 444 -21.784 -42.256 -31.413 96 H GLU 445 H GLU 445 -18.440 -36.807 -36.796 97 HA GLU 445 HA GLU 445 -20.503 -36.313 -38.780 98 HB2 GLU 445 HB2 GLU 445 -19.341 -34.433 -36.723 99 HB3 GLU 445 HB3 GLU 445 -20.768 -34.146 -37.706 100 HG2 GLU 445 HG2 GLU 445 -20.858 -36.652 -36.154 101 HG3 GLU 445 HG3 GLU 445 -20.778 -35.203 -35.165 102 H VAL 446 H VAL 446 -17.141 -36.160 -38.730 103 HA VAL 446 HA VAL 446 -17.179 -34.295 -41.015 104 HB VAL 446 HB VAL 446 -15.031 -33.432 -40.288 105 HG12 VAL 446 HG11 VAL 446 -15.879 -32.338 -38.117 106 HG11 VAL 446 HG12 VAL 446 -17.356 -33.262 -38.394 107 HG13 VAL 446 HG13 VAL 446 -16.814 -32.085 -39.591 108 HG21 VAL 446 HG21 VAL 446 -15.490 -35.249 -37.932 109 HG23 VAL 446 HG22 VAL 446 -14.247 -33.999 -38.000 110 HG22 VAL 446 HG23 VAL 446 -14.197 -35.356 -39.126 111 H ASP 447 H ASP 447 -15.139 -34.514 -42.328 112 HA ASP 447 HA ASP 447 -14.555 -37.349 -42.725 113 HB2 ASP 447 HB2 ASP 447 -13.630 -34.994 -44.355 114 HB3 ASP 447 HB3 ASP 447 -13.440 -36.691 -44.772 115 H PHE 448 H PHE 448 -13.080 -34.666 -41.232 116 HA PHE 448 HA PHE 448 -10.827 -36.275 -40.547 117 HB2 PHE 448 HB2 PHE 448 -9.097 -35.170 -41.766 118 HB3 PHE 448 HB3 PHE 448 -10.291 -35.771 -42.898 119 HD1 PHE 448 HD1 PHE 448 -8.887 -32.769 -41.274 120 HD2 PHE 448 HD2 PHE 448 -11.569 -34.292 -44.236 121 HE1 PHE 448 HE1 PHE 448 -9.020 -30.507 -42.238 122 HE2 PHE 448 HE2 PHE 448 -11.732 -32.021 -45.226 123 HZ PHE 448 HZ PHE 448 -10.447 -30.111 -44.239 124 H PHE 449 H PHE 449 -9.015 -34.870 -39.596 125 HA PHE 449 HA PHE 449 -10.105 -32.538 -38.092 126 HB2 PHE 449 HB2 PHE 449 -9.911 -33.745 -36.163 127 HB3 PHE 449 HB3 PHE 449 -9.361 -35.144 -37.060 128 HD1 PHE 449 HD1 PHE 449 -8.531 -33.307 -34.321 129 HD2 PHE 449 HD2 PHE 449 -6.779 -34.531 -38.041 130 HE1 PHE 449 HE1 PHE 449 -6.291 -32.991 -33.357 131 HE2 PHE 449 HE2 PHE 449 -4.504 -34.203 -37.084 132 HZ PHE 449 HZ PHE 449 -4.262 -33.431 -34.721 133 H SER 450 H SER 450 -8.524 -31.067 -37.720 134 HA SER 450 HA SER 450 -5.760 -31.866 -38.119 135 HB2 SER 450 HB2 SER 450 -6.408 -30.417 -40.028 136 HB3 SER 450 HB3 SER 450 -6.848 -29.162 -38.862 137 HG SER 450 HG SER 450 -4.672 -29.463 -38.012 138 H ILE 451 H ILE 451 -4.763 -31.579 -36.179 139 HA ILE 451 HA ILE 451 -6.228 -30.218 -34.080 140 HB ILE 451 HB ILE 451 -4.589 -32.340 -33.979 141 HG12 ILE 451 HG12 ILE 451 -4.692 -30.457 -31.650 142 HG13 ILE 451 HG13 ILE 451 -6.148 -31.230 -32.257 143 HG21 ILE 451 HG21 ILE 451 -2.657 -30.779 -34.572 144 HG23 ILE 451 HG22 ILE 451 -2.421 -31.833 -33.177 145 HG22 ILE 451 HG23 ILE 451 -2.819 -30.129 -32.941 146 HD13 ILE 451 HD11 ILE 451 -5.632 -33.146 -31.307 147 HD12 ILE 451 HD12 ILE 451 -4.423 -32.232 -30.403 148 HD11 ILE 451 HD13 ILE 451 -3.967 -33.077 -31.881 149 H GLY 452 H GLY 452 -6.052 -28.127 -33.604 150 HA3 GLY 452 HA2 GLY 452 -3.679 -26.665 -34.545 151 HA2 GLY 452 HA3 GLY 452 -5.165 -25.937 -33.918 152 H THR 453 H THR 453 -2.083 -27.285 -33.086 153 HA THR 453 HA THR 453 -2.639 -27.562 -30.313 154 HB THR 453 HB THR 453 -0.874 -28.834 -31.523 155 HG1 THR 453 HG1 THR 453 0.190 -27.311 -29.401 156 HG23 THR 453 HG21 THR 453 0.657 -27.716 -32.737 157 HG22 THR 453 HG22 THR 453 1.285 -27.004 -31.250 158 HG21 THR 453 HG23 THR 453 0.022 -26.175 -32.159 159 H ASN 454 H ASN 454 -1.758 -24.806 -32.231 160 HA ASN 454 HA ASN 454 -0.439 -23.338 -30.167 161 HB2 ASN 454 HB2 ASN 454 -2.075 -22.380 -32.509 162 HB3 ASN 454 HB3 ASN 454 -1.175 -21.321 -31.435 163 HD21 ASN 454 HD21 ASN 454 -1.098 -23.319 -34.146 164 HD22 ASN 454 HD22 ASN 454 0.567 -23.252 -34.474 165 H ASP 455 H ASP 455 -3.793 -23.419 -31.323 166 HA ASP 455 HA ASP 455 -4.713 -21.915 -29.112 167 HB2 ASP 455 HB2 ASP 455 -5.791 -22.804 -31.528 168 HB3 ASP 455 HB3 ASP 455 -6.824 -23.410 -30.237 169 H LEU 456 H LEU 456 -4.994 -25.423 -29.816 170 HA LEU 456 HA LEU 456 -6.294 -26.214 -27.530 171 HB2 LEU 456 HB2 LEU 456 -6.007 -28.059 -28.677 172 HB3 LEU 456 HB3 LEU 456 -4.669 -27.371 -29.570 173 HG LEU 456 HG LEU 456 -4.106 -29.449 -28.409 174 HD12 LEU 456 HD11 LEU 456 -2.255 -27.964 -26.817 175 HD11 LEU 456 HD12 LEU 456 -2.535 -27.049 -28.299 176 HD13 LEU 456 HD13 LEU 456 -1.984 -28.720 -28.390 177 HD22 LEU 456 HD21 LEU 456 -4.401 -29.843 -26.171 178 HD21 LEU 456 HD22 LEU 456 -5.689 -28.657 -26.396 179 HD23 LEU 456 HD23 LEU 456 -4.137 -28.156 -25.721 180 H THR 457 H THR 457 -2.796 -25.615 -27.871 181 HA THR 457 HA THR 457 -2.154 -26.434 -25.264 182 HB THR 457 HB THR 457 -0.854 -24.373 -27.057 183 HG1 THR 457 HG1 THR 457 0.555 -26.508 -27.018 184 HG21 THR 457 HG21 THR 457 -0.203 -24.230 -24.630 185 HG23 THR 457 HG22 THR 457 1.121 -24.638 -25.722 186 HG22 THR 457 HG23 THR 457 0.359 -25.898 -24.752 187 H GLN 458 H GLN 458 -2.924 -23.302 -26.683 188 HA GLN 458 HA GLN 458 -2.731 -21.655 -24.541 189 HB2 GLN 458 HB2 GLN 458 -4.592 -21.609 -26.878 190 HB3 GLN 458 HB3 GLN 458 -4.590 -20.336 -25.676 191 HG2 GLN 458 HG2 GLN 458 -2.499 -19.581 -26.298 192 HG3 GLN 458 HG3 GLN 458 -2.044 -21.121 -27.021 193 HE21 GLN 458 HE21 GLN 458 -4.499 -18.524 -27.429 194 HE22 GLN 458 HE22 GLN 458 -4.483 -18.550 -29.125 195 H TYR 459 H TYR 459 -5.711 -23.431 -25.502 196 HA TYR 459 HA TYR 459 -7.041 -22.377 -23.170 197 HB2 TYR 459 HB2 TYR 459 -8.029 -24.567 -24.971 198 HB3 TYR 459 HB3 TYR 459 -8.975 -23.625 -23.822 199 HD1 TYR 459 HD1 TYR 459 -8.268 -23.941 -27.181 200 HD2 TYR 459 HD2 TYR 459 -8.466 -20.993 -24.115 201 HE1 TYR 459 HE1 TYR 459 -8.559 -22.203 -28.860 202 HE2 TYR 459 HE2 TYR 459 -8.785 -19.285 -25.791 203 HH TYR 459 HH TYR 459 -9.576 -19.881 -28.911 204 H THR 460 H THR 460 -5.408 -25.350 -23.921 205 HA THR 460 HA THR 460 -6.711 -26.786 -21.827 206 HB THR 460 HB THR 460 -4.107 -27.227 -23.287 207 HG1 THR 460 HG1 THR 460 -6.659 -28.444 -23.529 208 HG21 THR 460 HG21 THR 460 -5.564 -28.896 -21.267 209 HG23 THR 460 HG22 THR 460 -3.875 -28.390 -21.262 210 HG22 THR 460 HG23 THR 460 -4.433 -29.593 -22.426 211 H LEU 461 H LEU 461 -3.701 -24.936 -22.200 212 HA LEU 461 HA LEU 461 -3.135 -25.250 -19.361 213 HB2 LEU 461 HB2 LEU 461 -1.533 -24.001 -21.564 214 HB3 LEU 461 HB3 LEU 461 -1.063 -23.954 -19.891 215 HG LEU 461 HG LEU 461 -1.001 -26.516 -20.018 216 HD11 LEU 461 HD11 LEU 461 -1.098 -25.823 -22.932 217 HD13 LEU 461 HD12 LEU 461 -2.209 -26.861 -22.036 218 HD12 LEU 461 HD13 LEU 461 -0.537 -27.367 -22.292 219 HD22 LEU 461 HD21 LEU 461 1.024 -25.358 -19.915 220 HD21 LEU 461 HD22 LEU 461 0.860 -24.787 -21.576 221 HD23 LEU 461 HD23 LEU 461 1.160 -26.496 -21.254 222 H ALA 462 H ALA 462 -5.012 -23.155 -21.136 223 HA ALA 462 HA ALA 462 -5.598 -20.928 -20.876 224 HB3 ALA 462 HB1 ALA 462 -5.093 -21.634 -17.990 225 HB2 ALA 462 HB2 ALA 462 -6.635 -21.620 -18.846 226 HB1 ALA 462 HB3 ALA 462 -5.794 -20.104 -18.517 227 H VAL 463 H VAL 463 -3.103 -21.129 -21.820 228 HA VAL 463 HA VAL 463 -2.101 -18.696 -20.639 229 HB VAL 463 HB VAL 463 -0.128 -19.344 -20.044 230 HG13 VAL 463 HG11 VAL 463 -0.717 -21.267 -19.169 231 HG12 VAL 463 HG12 VAL 463 0.385 -21.899 -20.392 232 HG11 VAL 463 HG13 VAL 463 -1.354 -21.904 -20.683 233 HG22 VAL 463 HG21 VAL 463 1.056 -18.977 -21.904 234 HG21 VAL 463 HG22 VAL 463 0.138 -20.139 -22.862 235 HG23 VAL 463 HG23 VAL 463 1.353 -20.703 -21.714 236 HA ASP 464 HA ASP 464 -3.033 -17.068 -24.357 237 HB2 ASP 464 HB2 ASP 464 -1.743 -14.645 -23.919 238 H ASP 464 HN ASP 464 -1.951 -17.114 -21.774 239 HB3 ASP 464 HB1 ASP 464 -3.414 -15.020 -23.541 240 H ARG 465 H ARG 465 -2.071 -17.406 -26.195 241 HA ARG 465 HA ARG 465 0.567 -18.189 -26.592 242 HB2 ARG 465 HB2 ARG 465 -1.492 -18.490 -28.057 243 HB3 ARG 465 HB3 ARG 465 -1.133 -16.890 -28.682 244 HG2 ARG 465 HG2 ARG 465 1.208 -17.805 -29.171 245 HG3 ARG 465 HG3 ARG 465 0.493 -19.400 -28.910 246 HD2 ARG 465 HD2 ARG 465 0.311 -18.964 -31.218 247 HD3 ARG 465 HD3 ARG 465 -1.288 -18.781 -30.534 248 HE ARG 465 HE ARG 465 -0.386 -16.230 -30.615 249 HH21 ARG 465 HH11 ARG 465 -0.518 -14.821 -32.447 250 HH22 ARG 465 HH12 ARG 465 -0.601 -15.517 -34.033 251 HH11 ARG 465 HH21 ARG 465 -0.370 -18.827 -32.903 252 HH12 ARG 465 HH22 ARG 465 -0.516 -17.801 -34.293 253 H GLY 466 H GLY 466 -0.815 -15.056 -26.373 254 HA3 GLY 466 HA2 GLY 466 1.354 -13.695 -27.743 255 HA2 GLY 466 HA3 GLY 466 -0.084 -12.957 -27.055 256 H ASN 467 H ASN 467 0.676 -14.616 -24.501 257 HA ASN 467 HA ASN 467 1.816 -12.244 -23.326 258 HB2 ASN 467 HB2 ASN 467 0.936 -13.088 -21.305 259 HB3 ASN 467 HB3 ASN 467 -0.226 -13.452 -22.567 260 HD21 ASN 467 HD21 ASN 467 -0.453 -14.748 -20.244 261 HD22 ASN 467 HD22 ASN 467 0.015 -16.373 -20.382 262 H ASP 468 H ASP 468 4.019 -12.113 -23.498 263 HA ASP 468 HA ASP 468 5.749 -14.328 -23.298 264 HB2 ASP 468 HB2 ASP 468 7.601 -12.717 -23.129 265 HB3 ASP 468 HB3 ASP 468 6.524 -12.420 -24.485 266 HA MET 469 HA MET 469 6.381 -12.705 -18.822 267 HB2 MET 469 HB2 MET 469 3.478 -12.025 -18.768 268 HG2 MET 469 HG2 MET 469 5.973 -10.620 -17.836 269 HE2 MET 469 HE1 MET 469 1.926 -8.224 -18.958 270 HE1 MET 469 HE2 MET 469 2.773 -9.430 -19.920 271 HE3 MET 469 HE3 MET 469 3.514 -7.854 -19.662 272 H MET 469 HN MET 469 4.581 -12.140 -20.841 273 HB3 MET 469 HB1 MET 469 4.369 -12.356 -17.286 274 HG3 MET 469 HG1 MET 469 5.147 -10.315 -19.358 275 H ILE 470 H ILE 470 3.645 -14.729 -19.865 276 HA ILE 470 HA ILE 470 4.656 -16.707 -17.952 277 HB ILE 470 HB ILE 470 2.256 -17.746 -18.842 278 HG12 ILE 470 HG12 ILE 470 1.898 -15.359 -19.681 279 HG13 ILE 470 HG13 ILE 470 0.623 -16.129 -18.764 280 HG22 ILE 470 HG21 ILE 470 2.945 -16.291 -16.294 281 HG21 ILE 470 HG22 ILE 470 3.229 -17.997 -16.649 282 HG23 ILE 470 HG23 ILE 470 1.579 -17.387 -16.510 283 HD11 ILE 470 HD11 ILE 470 1.394 -14.905 -16.770 284 HD13 ILE 470 HD12 ILE 470 0.848 -13.859 -18.081 285 HD12 ILE 470 HD13 ILE 470 2.574 -14.077 -17.783 286 H SER 471 H SER 471 5.493 -16.112 -20.875 287 HA SER 471 HA SER 471 4.541 -18.164 -22.446 288 HB2 SER 471 HB2 SER 471 5.856 -16.669 -23.612 289 HB3 SER 471 HB3 SER 471 7.174 -16.756 -22.451 290 HG SER 471 HG SER 471 6.331 -18.721 -24.287 291 H HIS 472 H HIS 472 6.870 -18.446 -19.836 292 HA HIS 472 HA HIS 472 8.057 -20.834 -20.633 293 HB2 HIS 472 HB2 HIS 472 8.690 -21.104 -18.235 294 HB3 HIS 472 HB3 HIS 472 9.117 -19.556 -18.939 295 HD1 HIS 472 HD1 HIS 472 8.183 -17.487 -17.829 296 HD2 HIS 472 HD2 HIS 472 6.447 -20.993 -16.394 297 HE1 HIS 472 HE1 HIS 472 6.753 -16.790 -15.863 298 HE2 HIS 472 HE2 HIS 472 5.737 -18.936 -14.995 299 H LEU 473 H LEU 473 4.937 -20.266 -19.439 300 HA LEU 473 HA LEU 473 4.425 -23.027 -18.609 301 HB2 LEU 473 HB2 LEU 473 2.460 -22.308 -17.701 302 HB3 LEU 473 HB3 LEU 473 3.484 -20.913 -17.479 303 HG LEU 473 HG LEU 473 1.282 -21.310 -19.473 304 HD13 LEU 473 HD11 LEU 473 0.333 -20.629 -17.461 305 HD12 LEU 473 HD12 LEU 473 0.539 -19.115 -18.343 306 HD11 LEU 473 HD13 LEU 473 1.679 -19.558 -17.072 307 HD23 LEU 473 HD21 LEU 473 1.934 -18.853 -20.036 308 HD22 LEU 473 HD22 LEU 473 2.808 -20.192 -20.781 309 HD21 LEU 473 HD23 LEU 473 3.512 -19.330 -19.413 310 H TYR 474 H TYR 474 4.468 -21.378 -21.534 311 HA TYR 474 HA TYR 474 2.039 -22.639 -22.518 312 HB2 TYR 474 HB2 TYR 474 2.256 -20.693 -23.689 313 HB3 TYR 474 HB3 TYR 474 4.004 -20.682 -23.553 314 HD1 TYR 474 HD1 TYR 474 1.185 -22.279 -25.371 315 HD2 TYR 474 HD2 TYR 474 5.359 -21.495 -25.314 316 HE1 TYR 474 HE1 TYR 474 1.380 -23.137 -27.663 317 HE2 TYR 474 HE2 TYR 474 5.554 -22.333 -27.590 318 HH TYR 474 HH TYR 474 3.294 -22.548 -29.671 319 H GLN 475 H GLN 475 2.377 -24.841 -22.477 320 HA GLN 475 HA GLN 475 4.772 -25.789 -23.931 321 HB2 GLN 475 HB2 GLN 475 3.532 -27.026 -21.494 322 HB3 GLN 475 HB3 GLN 475 4.873 -27.688 -22.419 323 HG2 GLN 475 HG2 GLN 475 4.913 -24.981 -21.164 324 HG3 GLN 475 HG3 GLN 475 5.454 -26.430 -20.338 325 HE21 GLN 475 HE21 GLN 475 6.247 -23.914 -22.439 326 HE22 GLN 475 HE22 GLN 475 7.798 -24.413 -22.920 No H/Q in entry = 326 In of MODEL 1 1 HA PRO 476 HA PRO 476 1.326 -27.846 -25.851 2 HB2 PRO 476 HB2 PRO 476 3.254 -28.218 -28.063 3 HB3 PRO 476 HB3 PRO 476 1.642 -27.476 -28.104 4 HG2 PRO 476 HG2 PRO 476 3.817 -25.953 -28.398 5 HG3 PRO 476 HG3 PRO 476 2.441 -25.374 -27.437 6 HD2 PRO 476 HD2 PRO 476 4.999 -26.642 -26.473 7 HD3 PRO 476 HD3 PRO 476 4.184 -25.158 -25.907 8 H MET 477 H MET 477 4.562 -28.549 -24.968 9 HA MET 477 HA MET 477 4.138 -31.386 -25.494 10 HB2 MET 477 HB2 MET 477 6.659 -29.887 -24.894 11 HB3 MET 477 HB3 MET 477 6.542 -31.640 -25.056 12 HG2 MET 477 HG2 MET 477 5.604 -31.364 -27.285 13 HG3 MET 477 HG3 MET 477 5.742 -29.622 -27.126 14 HE1 MET 477 HE1 MET 477 7.641 -28.428 -26.418 15 HE3 MET 477 HE2 MET 477 8.361 -28.224 -28.011 16 HE2 MET 477 HE3 MET 477 9.361 -28.773 -26.669 17 H SER 478 H SER 478 2.545 -30.692 -23.783 18 HA SER 478 HA SER 478 3.640 -31.296 -21.119 19 HB2 SER 478 HB2 SER 478 0.930 -30.326 -22.026 20 HB3 SER 478 HB3 SER 478 1.404 -30.640 -20.353 21 HG SER 478 HG SER 478 2.588 -28.920 -20.360 No H/Q in entry = 21 In of MODEL 1 1 HA PRO 479 HA PRO 479 1.830 -35.343 -21.429 2 HB2 PRO 479 HB2 PRO 479 0.845 -34.770 -18.680 3 HB3 PRO 479 HB3 PRO 479 1.780 -36.151 -19.274 4 HG2 PRO 479 HG2 PRO 479 2.806 -34.235 -17.766 5 HG3 PRO 479 HG3 PRO 479 3.731 -35.130 -18.971 6 HD2 PRO 479 HD2 PRO 479 2.801 -32.274 -19.105 7 HD3 PRO 479 HD3 PRO 479 4.145 -33.065 -19.961 8 H SER 480 H SER 480 0.174 -32.417 -20.294 9 HA SER 480 HA SER 480 -2.443 -33.552 -20.550 10 HB2 SER 480 HB2 SER 480 -1.385 -30.861 -19.957 11 HB3 SER 480 HB3 SER 480 -3.036 -30.990 -20.536 12 HG SER 480 HG SER 480 -1.904 -31.746 -18.147 13 H VAL 481 H VAL 481 -0.501 -31.507 -22.746 14 HA VAL 481 HA VAL 481 -2.761 -31.342 -24.508 15 HB VAL 481 HB VAL 481 0.084 -30.377 -24.721 16 HG11 VAL 481 HG11 VAL 481 -2.063 -30.256 -26.813 17 HG13 VAL 481 HG12 VAL 481 -0.513 -31.091 -26.936 18 HG12 VAL 481 HG13 VAL 481 -0.563 -29.331 -26.843 19 HG23 VAL 481 HG21 VAL 481 -2.596 -28.986 -24.761 20 HG22 VAL 481 HG22 VAL 481 -1.017 -28.202 -24.779 21 HG21 VAL 481 HG23 VAL 481 -1.535 -29.114 -23.360 22 H LEU 482 H LEU 482 0.167 -33.296 -24.275 23 HA LEU 482 HA LEU 482 -0.063 -34.539 -26.797 24 HB2 LEU 482 HB2 LEU 482 1.378 -35.246 -24.287 25 HB3 LEU 482 HB3 LEU 482 1.172 -36.498 -25.513 26 HG LEU 482 HG LEU 482 2.136 -35.070 -27.199 27 HD12 LEU 482 HD11 LEU 482 2.500 -32.984 -25.076 28 HD11 LEU 482 HD12 LEU 482 1.391 -32.923 -26.446 29 HD13 LEU 482 HD13 LEU 482 3.134 -32.909 -26.720 30 HD23 LEU 482 HD21 LEU 482 4.018 -35.054 -24.852 31 HD22 LEU 482 HD22 LEU 482 4.428 -35.102 -26.567 32 HD21 LEU 482 HD23 LEU 482 3.636 -36.485 -25.808 33 H ASN 483 H ASN 483 -1.246 -35.599 -23.622 34 HA ASN 483 HA ASN 483 -2.510 -37.882 -24.535 35 HB2 ASN 483 HB2 ASN 483 -2.964 -36.115 -22.220 36 HB3 ASN 483 HB3 ASN 483 -4.101 -37.413 -22.575 37 HD21 ASN 483 HD21 ASN 483 -0.896 -36.558 -21.631 38 HD22 ASN 483 HD22 ASN 483 -0.383 -38.118 -21.201 39 H LEU 484 H LEU 484 -3.877 -34.627 -24.478 40 HA LEU 484 HA LEU 484 -6.379 -35.321 -25.557 41 HB2 LEU 484 HB2 LEU 484 -6.521 -33.254 -24.722 42 HB3 LEU 484 HB3 LEU 484 -4.876 -32.850 -25.118 43 HG LEU 484 HG LEU 484 -7.029 -32.904 -27.218 44 HD12 LEU 484 HD11 LEU 484 -7.336 -30.487 -26.786 45 HD11 LEU 484 HD12 LEU 484 -6.300 -30.626 -25.366 46 HD13 LEU 484 HD13 LEU 484 -7.842 -31.481 -25.418 47 HD21 LEU 484 HD21 LEU 484 -4.247 -31.854 -26.952 48 HD23 LEU 484 HD22 LEU 484 -5.385 -30.949 -27.953 49 HD22 LEU 484 HD23 LEU 484 -5.029 -32.636 -28.327 50 H ILE 485 H ILE 485 -3.300 -34.477 -27.101 51 HA ILE 485 HA ILE 485 -4.242 -34.470 -29.786 52 HB ILE 485 HB ILE 485 -1.561 -35.137 -28.622 53 HG12 ILE 485 HG12 ILE 485 -2.450 -32.809 -30.320 54 HG13 ILE 485 HG13 ILE 485 -2.443 -32.791 -28.561 55 HG23 ILE 485 HG21 ILE 485 -1.485 -36.415 -30.602 56 HG22 ILE 485 HG22 ILE 485 -0.756 -34.877 -31.065 57 HG21 ILE 485 HG23 ILE 485 -2.424 -35.232 -31.513 58 HD13 ILE 485 HD11 ILE 485 -0.140 -33.011 -28.477 59 HD12 ILE 485 HD12 ILE 485 -0.468 -31.806 -29.725 60 HD11 ILE 485 HD13 ILE 485 -0.043 -33.458 -30.178 61 H LYS 486 H LYS 486 -2.965 -37.135 -27.814 62 HA LYS 486 HA LYS 486 -3.112 -39.148 -29.735 63 HB2 LYS 486 HB2 LYS 486 -2.054 -39.315 -27.400 64 HB3 LYS 486 HB3 LYS 486 -3.681 -39.591 -26.792 65 HG2 LYS 486 HG2 LYS 486 -3.686 -41.460 -28.730 66 HG3 LYS 486 HG3 LYS 486 -1.948 -41.388 -28.465 67 HD2 LYS 486 HD2 LYS 486 -2.304 -41.854 -26.035 68 HD3 LYS 486 HD3 LYS 486 -4.037 -41.932 -26.304 69 HE2 LYS 486 HE2 LYS 486 -2.172 -44.085 -26.453 70 HE3 LYS 486 HE3 LYS 486 -3.886 -44.141 -26.828 71 HZ2 LYS 486 HZ1 LYS 486 -1.857 -44.659 -28.589 72 HZ1 LYS 486 HZ2 LYS 486 -2.288 -43.066 -28.995 73 HZ3 LYS 486 HZ3 LYS 486 -3.457 -44.298 -29.027 74 H GLN 487 H GLN 487 -5.443 -37.836 -27.536 75 HA GLN 487 HA GLN 487 -7.233 -39.975 -27.780 76 HB2 GLN 487 HB2 GLN 487 -7.405 -38.761 -25.805 77 HB3 GLN 487 HB3 GLN 487 -7.259 -37.219 -26.614 78 HG2 GLN 487 HG2 GLN 487 -9.545 -37.448 -27.429 79 HG3 GLN 487 HG3 GLN 487 -9.676 -38.997 -26.605 80 HE21 GLN 487 HE21 GLN 487 -8.490 -38.536 -24.210 81 HE22 GLN 487 HE22 GLN 487 -9.330 -37.348 -23.334 82 H VAL 488 H VAL 488 -6.744 -36.949 -29.446 83 HA VAL 488 HA VAL 488 -9.150 -36.961 -30.983 84 HB VAL 488 HB VAL 488 -6.558 -35.467 -31.451 85 HG11 VAL 488 HG11 VAL 488 -9.260 -35.151 -32.748 86 HG13 VAL 488 HG12 VAL 488 -7.727 -35.542 -33.528 87 HG12 VAL 488 HG13 VAL 488 -7.980 -33.941 -32.833 88 HG21 VAL 488 HG21 VAL 488 -7.813 -35.054 -29.347 89 HG23 VAL 488 HG22 VAL 488 -9.126 -34.437 -30.352 90 HG22 VAL 488 HG23 VAL 488 -7.546 -33.652 -30.380 91 H ILE 489 H ILE 489 -5.774 -37.806 -31.710 92 HA ILE 489 HA ILE 489 -6.073 -38.534 -34.380 93 HB ILE 489 HB ILE 489 -4.314 -39.717 -32.258 94 HG12 ILE 489 HG12 ILE 489 -3.797 -37.659 -34.405 95 HG13 ILE 489 HG13 ILE 489 -3.945 -37.340 -32.688 96 HG23 ILE 489 HG21 ILE 489 -4.441 -41.358 -33.961 97 HG22 ILE 489 HG22 ILE 489 -2.946 -40.470 -34.258 98 HG21 ILE 489 HG23 ILE 489 -4.375 -40.145 -35.240 99 HD12 ILE 489 HD11 ILE 489 -1.669 -38.510 -34.218 100 HD11 ILE 489 HD12 ILE 489 -1.941 -39.122 -32.586 101 HD13 ILE 489 HD13 ILE 489 -1.654 -37.401 -32.845 102 H ASP 490 H ASP 490 -6.331 -40.511 -31.437 103 HA ASP 490 HA ASP 490 -7.049 -42.889 -32.648 104 HB2 ASP 490 HB2 ASP 490 -7.654 -41.869 -29.884 105 HB3 ASP 490 HB3 ASP 490 -8.045 -43.495 -30.423 106 H ALA 491 H ALA 491 -9.180 -40.304 -31.406 107 HA ALA 491 HA ALA 491 -11.624 -41.477 -32.055 108 HB2 ALA 491 HB1 ALA 491 -10.817 -38.593 -32.302 109 HB1 ALA 491 HB2 ALA 491 -11.687 -39.366 -30.977 110 HB3 ALA 491 HB3 ALA 491 -12.463 -39.177 -32.550 111 H SER 492 H SER 492 -9.632 -39.458 -34.252 112 HA SER 492 HA SER 492 -10.899 -39.639 -36.665 113 HB2 SER 492 HB2 SER 492 -8.036 -39.782 -35.857 114 HB3 SER 492 HB3 SER 492 -8.438 -40.244 -37.511 115 HG SER 492 HG SER 492 -9.727 -38.007 -36.634 116 H HIS 493 H HIS 493 -8.530 -41.957 -35.443 117 HA HIS 493 HA HIS 493 -8.788 -43.562 -37.700 118 HB2 HIS 493 HB2 HIS 493 -7.552 -44.244 -35.044 119 HB3 HIS 493 HB3 HIS 493 -7.406 -45.215 -36.496 120 HD1 HIS 493 HD1 HIS 493 -7.174 -42.259 -38.087 121 HD2 HIS 493 HD2 HIS 493 -4.668 -43.983 -35.265 122 HE1 HIS 493 HE1 HIS 493 -4.936 -41.155 -38.416 123 HE2 HIS 493 HE2 HIS 493 -3.428 -42.227 -36.704 124 H ALA 494 H ALA 494 -10.359 -43.619 -34.580 125 HA ALA 494 HA ALA 494 -11.325 -46.253 -34.867 126 HB3 ALA 494 HB1 ALA 494 -12.762 -45.885 -33.050 127 HB1 ALA 494 HB2 ALA 494 -12.836 -44.147 -33.343 128 HB2 ALA 494 HB3 ALA 494 -11.356 -44.873 -32.717 129 H GLU 495 H GLU 495 -12.473 -43.164 -36.180 130 HA GLU 495 HA GLU 495 -14.855 -44.488 -37.274 131 HB2 GLU 495 HB2 GLU 495 -13.841 -41.692 -37.691 132 HB3 GLU 495 HB3 GLU 495 -15.295 -42.344 -38.411 133 HG2 GLU 495 HG2 GLU 495 -14.723 -41.797 -35.544 134 HG3 GLU 495 HG3 GLU 495 -15.928 -41.051 -36.585 135 H GLY 496 H GLY 496 -11.697 -44.478 -38.129 136 HA3 GLY 496 HA2 GLY 496 -10.676 -45.138 -40.101 137 HA2 GLY 496 HA3 GLY 496 -12.257 -45.214 -40.859 138 H LYS 497 H LYS 497 -11.424 -42.276 -39.288 139 HA LYS 497 HA LYS 497 -10.783 -40.941 -41.853 140 HB2 LYS 497 HB2 LYS 497 -11.319 -38.863 -40.778 141 HB3 LYS 497 HB3 LYS 497 -12.659 -39.962 -40.508 142 HG2 LYS 497 HG2 LYS 497 -11.878 -40.405 -38.279 143 HG3 LYS 497 HG3 LYS 497 -10.460 -39.413 -38.548 144 HD2 LYS 497 HD2 LYS 497 -12.935 -37.974 -39.047 145 HD3 LYS 497 HD3 LYS 497 -12.827 -38.603 -37.402 146 HE2 LYS 497 HE2 LYS 497 -11.003 -37.328 -36.891 147 HE3 LYS 497 HE3 LYS 497 -10.428 -37.295 -38.568 148 HZ3 LYS 497 HZ1 LYS 497 -12.116 -35.835 -39.173 149 HZ2 LYS 497 HZ2 LYS 497 -11.458 -35.210 -37.736 150 HZ1 LYS 497 HZ3 LYS 497 -12.940 -36.041 -37.707 151 H TRP 498 H TRP 498 -9.398 -38.880 -41.027 152 HA TRP 498 HA TRP 498 -7.070 -39.967 -39.609 153 HB2 TRP 498 HB2 TRP 498 -5.821 -38.544 -41.441 154 HB3 TRP 498 HB3 TRP 498 -6.295 -40.206 -41.745 155 HD1 TRP 498 HD1 TRP 498 -6.937 -36.653 -42.910 156 HE1 TRP 498 HE1 TRP 498 -8.493 -36.675 -44.962 157 HE3 TRP 498 HE3 TRP 498 -8.304 -41.583 -42.859 158 HZ2 TRP 498 HZ2 TRP 498 -10.071 -38.467 -46.357 159 HZ3 TRP 498 HZ3 TRP 498 -9.847 -42.399 -44.639 160 HH2 TRP 498 HH2 TRP 498 -10.712 -40.848 -46.355 161 H THR 499 H THR 499 -5.593 -38.394 -38.804 162 HA THR 499 HA THR 499 -6.836 -35.751 -38.418 163 HB THR 499 HB THR 499 -6.765 -36.418 -36.228 164 HG1 THR 499 HG1 THR 499 -4.213 -36.290 -35.751 165 HG21 THR 499 HG21 THR 499 -4.777 -38.438 -37.220 166 HG23 THR 499 HG22 THR 499 -6.319 -38.706 -36.406 167 HG22 THR 499 HG23 THR 499 -4.929 -38.120 -35.492 168 H GLY 500 H GLY 500 -5.619 -34.140 -39.014 169 HA3 GLY 500 HA2 GLY 500 -2.739 -34.602 -39.505 170 HA2 GLY 500 HA3 GLY 500 -3.676 -33.376 -40.366 171 H MET 501 H MET 501 -1.686 -32.277 -39.249 172 HA MET 501 HA MET 501 -2.706 -30.875 -36.893 173 HB2 MET 501 HB2 MET 501 -0.002 -32.165 -37.150 174 HB3 MET 501 HB3 MET 501 -0.398 -30.952 -35.941 175 HG2 MET 501 HG2 MET 501 -2.344 -32.497 -35.338 176 HG3 MET 501 HG3 MET 501 -1.497 -33.711 -36.264 177 HE2 MET 501 HE1 MET 501 0.458 -31.538 -32.486 178 HE1 MET 501 HE2 MET 501 -0.463 -30.814 -33.801 179 HE3 MET 501 HE3 MET 501 1.201 -31.317 -34.080 180 H CYS 502 H CYS 502 -2.672 -28.732 -37.418 181 HA CYS 502 HA CYS 502 -0.476 -27.833 -39.153 182 HB2 CYS 502 HB2 CYS 502 -1.847 -25.922 -39.788 183 HB3 CYS 502 HB3 CYS 502 -2.606 -27.447 -40.207 184 HG CYS 502 HG CYS 502 -3.827 -26.902 -37.738 185 H GLY 503 H GLY 503 -1.555 -27.729 -36.005 186 HA3 GLY 503 HA2 GLY 503 -0.612 -25.187 -35.136 187 HA2 GLY 503 HA3 GLY 503 -0.642 -26.665 -34.173 188 H GLU 504 H GLU 504 1.412 -24.806 -34.047 189 HA GLU 504 HA GLU 504 3.523 -25.369 -35.793 190 HB2 GLU 504 HB2 GLU 504 3.449 -23.295 -34.706 191 HB3 GLU 504 HB3 GLU 504 3.562 -24.051 -33.120 192 HG2 GLU 504 HG2 GLU 504 5.679 -24.492 -35.189 193 HG3 GLU 504 HG3 GLU 504 5.690 -23.050 -34.187 194 H LEU 505 H LEU 505 2.495 -27.236 -33.131 195 HA LEU 505 HA LEU 505 4.895 -28.501 -32.404 196 HB2 LEU 505 HB2 LEU 505 2.049 -29.239 -32.405 197 HB3 LEU 505 HB3 LEU 505 3.207 -30.542 -32.301 198 HG LEU 505 HG LEU 505 2.869 -28.229 -30.413 199 HD11 LEU 505 HD11 LEU 505 1.158 -29.901 -30.353 200 HD13 LEU 505 HD12 LEU 505 2.158 -30.000 -28.900 201 HD12 LEU 505 HD13 LEU 505 2.369 -31.175 -30.199 202 HD23 LEU 505 HD21 LEU 505 4.500 -29.960 -29.082 203 HD22 LEU 505 HD22 LEU 505 5.070 -28.529 -29.942 204 HD21 LEU 505 HD23 LEU 505 5.131 -30.108 -30.723 205 H ALA 506 H ALA 506 2.748 -29.110 -35.146 206 HA ALA 506 HA ALA 506 3.787 -31.493 -36.135 207 HB1 ALA 506 HB1 ALA 506 1.853 -30.575 -37.192 208 HB3 ALA 506 HB2 ALA 506 3.135 -30.592 -38.403 209 HB2 ALA 506 HB3 ALA 506 2.704 -29.084 -37.594 210 H GLY 507 H GLY 507 4.889 -28.158 -36.573 211 HA3 GLY 507 HA2 GLY 507 7.118 -28.995 -38.213 212 HA2 GLY 507 HA3 GLY 507 6.706 -27.353 -37.763 213 H ASP 508 H ASP 508 6.757 -29.104 -34.953 214 HA ASP 508 HA ASP 508 9.290 -27.893 -34.186 215 HB2 ASP 508 HB2 ASP 508 7.128 -27.726 -32.902 216 HB3 ASP 508 HB3 ASP 508 7.267 -29.436 -32.549 217 H GLU 509 H GLU 509 11.148 -29.041 -34.459 218 HA GLU 509 HA GLU 509 11.545 -31.655 -35.162 219 HB2 GLU 509 HB2 GLU 509 13.796 -31.510 -34.338 220 HB3 GLU 509 HB3 GLU 509 13.330 -30.037 -35.153 221 HG2 GLU 509 HG2 GLU 509 12.857 -29.135 -32.799 222 HG3 GLU 509 HG3 GLU 509 13.790 -30.518 -32.240 223 H ARG 510 H ARG 510 10.677 -30.601 -32.004 224 HA ARG 510 HA ARG 510 11.907 -32.871 -30.695 225 HB2 ARG 510 HB2 ARG 510 10.181 -30.672 -29.596 226 HB3 ARG 510 HB3 ARG 510 11.176 -31.781 -28.670 227 HG2 ARG 510 HG2 ARG 510 12.251 -29.879 -30.716 228 HG3 ARG 510 HG3 ARG 510 12.144 -29.523 -28.993 229 HD2 ARG 510 HD2 ARG 510 13.673 -31.756 -30.296 230 HD3 ARG 510 HD3 ARG 510 14.336 -30.353 -29.453 231 HE ARG 510 HE ARG 510 13.205 -32.725 -28.254 232 HH21 ARG 510 HH11 ARG 510 13.328 -32.948 -26.073 233 HH22 ARG 510 HH12 ARG 510 13.710 -31.586 -25.074 234 HH11 ARG 510 HH21 ARG 510 14.043 -29.364 -27.774 235 HH12 ARG 510 HH22 ARG 510 14.124 -29.514 -26.050 236 H ALA 511 H ALA 511 8.877 -32.121 -32.032 237 HA ALA 511 HA ALA 511 7.576 -34.092 -30.312 238 HB3 ALA 511 HB1 ALA 511 6.292 -32.271 -32.290 239 HB1 ALA 511 HB2 ALA 511 6.605 -31.831 -30.611 240 HB2 ALA 511 HB3 ALA 511 5.533 -33.181 -30.987 241 H THR 512 H THR 512 8.914 -33.689 -33.407 242 HA THR 512 HA THR 512 7.247 -34.929 -35.089 243 HB THR 512 HB THR 512 9.252 -35.724 -36.337 244 HG1 THR 512 HG1 THR 512 10.577 -34.501 -34.138 245 HG22 THR 512 HG21 THR 512 10.117 -33.386 -36.633 246 HG21 THR 512 HG22 THR 512 9.063 -32.910 -35.300 247 HG23 THR 512 HG23 THR 512 8.369 -33.566 -36.782 248 H LEU 513 H LEU 513 9.695 -36.776 -33.154 249 HA LEU 513 HA LEU 513 8.818 -39.308 -34.082 250 HB2 LEU 513 HB2 LEU 513 10.024 -38.858 -31.393 251 HB3 LEU 513 HB3 LEU 513 9.954 -40.347 -32.293 252 HG LEU 513 HG LEU 513 12.181 -39.523 -32.313 253 HD11 LEU 513 HD11 LEU 513 11.302 -40.583 -34.369 254 HD13 LEU 513 HD12 LEU 513 12.624 -39.460 -34.692 255 HD12 LEU 513 HD13 LEU 513 10.959 -38.982 -35.023 256 HD21 LEU 513 HD21 LEU 513 11.463 -37.114 -31.976 257 HD23 LEU 513 HD22 LEU 513 11.340 -37.044 -33.735 258 HD22 LEU 513 HD23 LEU 513 12.884 -37.425 -32.971 259 H LEU 514 H LEU 514 7.611 -37.366 -31.410 260 HA LEU 514 HA LEU 514 5.940 -39.450 -30.354 261 HB2 LEU 514 HB2 LEU 514 6.185 -36.509 -29.937 262 HB3 LEU 514 HB3 LEU 514 4.703 -37.298 -29.432 263 HG LEU 514 HG LEU 514 5.898 -38.712 -27.908 264 HD13 LEU 514 HD11 LEU 514 8.271 -38.670 -27.707 265 HD12 LEU 514 HD12 LEU 514 8.385 -37.435 -28.959 266 HD11 LEU 514 HD13 LEU 514 7.825 -39.058 -29.365 267 HD23 LEU 514 HD21 LEU 514 7.391 -36.508 -27.003 268 HD22 LEU 514 HD22 LEU 514 5.755 -36.961 -26.529 269 HD21 LEU 514 HD23 LEU 514 6.007 -35.840 -27.869 270 H LEU 515 H LEU 515 5.280 -36.562 -32.325 271 HA LEU 515 HA LEU 515 2.573 -36.951 -32.776 272 HB2 LEU 515 HB2 LEU 515 4.717 -35.963 -34.660 273 HB3 LEU 515 HB3 LEU 515 2.985 -35.730 -34.878 274 HG LEU 515 HG LEU 515 4.587 -34.730 -32.516 275 HD12 LEU 515 HD11 LEU 515 3.997 -32.525 -33.502 276 HD11 LEU 515 HD12 LEU 515 3.447 -33.387 -34.939 277 HD13 LEU 515 HD13 LEU 515 5.141 -33.469 -34.454 278 HD23 LEU 515 HD21 LEU 515 2.307 -33.402 -32.417 279 HD22 LEU 515 HD22 LEU 515 2.462 -35.006 -31.698 280 HD21 LEU 515 HD23 LEU 515 1.716 -34.816 -33.285 281 H LEU 516 H LEU 516 5.397 -38.192 -34.551 282 HA LEU 516 HA LEU 516 3.979 -39.753 -36.413 283 HB2 LEU 516 HB2 LEU 516 6.317 -39.140 -36.505 284 HB3 LEU 516 HB3 LEU 516 6.655 -40.190 -35.180 285 HG LEU 516 HG LEU 516 7.453 -40.801 -37.492 286 HD13 LEU 516 HD11 LEU 516 7.677 -42.626 -36.029 287 HD12 LEU 516 HD12 LEU 516 6.662 -43.267 -37.321 288 HD11 LEU 516 HD13 LEU 516 5.934 -42.768 -35.793 289 HD21 LEU 516 HD21 LEU 516 5.311 -40.115 -38.537 290 HD23 LEU 516 HD22 LEU 516 4.530 -41.516 -37.802 291 HD22 LEU 516 HD23 LEU 516 5.799 -41.745 -39.005 292 H GLY 517 H GLY 517 5.386 -40.769 -33.298 293 HA3 GLY 517 HA2 GLY 517 4.684 -43.469 -33.467 294 HA2 GLY 517 HA3 GLY 517 5.052 -42.606 -31.977 295 H MET 518 H MET 518 2.915 -40.679 -32.403 296 HA MET 518 HA MET 518 0.827 -42.168 -31.114 297 HB2 MET 518 HB2 MET 518 1.710 -39.663 -30.877 298 HB3 MET 518 HB3 MET 518 0.384 -39.398 -31.995 299 HG2 MET 518 HG2 MET 518 -1.211 -40.318 -30.417 300 HG3 MET 518 HG3 MET 518 0.102 -40.796 -29.317 301 HE3 MET 518 HE1 MET 518 1.493 -37.988 -27.620 302 HE2 MET 518 HE2 MET 518 2.250 -38.290 -29.183 303 HE1 MET 518 HE3 MET 518 1.553 -39.629 -28.277 304 H GLY 519 H GLY 519 1.622 -41.721 -34.278 305 HA3 GLY 519 HA2 GLY 519 0.505 -42.643 -36.067 306 HA2 GLY 519 HA3 GLY 519 -0.949 -42.713 -35.103 307 H LEU 520 H LEU 520 0.430 -39.590 -35.238 308 HA LEU 520 HA LEU 520 -1.725 -38.349 -36.492 309 HB2 LEU 520 HB2 LEU 520 0.310 -37.433 -35.190 310 HB3 LEU 520 HB3 LEU 520 1.110 -37.425 -36.744 311 HG LEU 520 HG LEU 520 -1.113 -35.728 -35.736 312 HD12 LEU 520 HD11 LEU 520 0.318 -34.108 -37.142 313 HD11 LEU 520 HD12 LEU 520 1.508 -35.412 -37.165 314 HD13 LEU 520 HD13 LEU 520 0.994 -34.713 -35.629 315 HD23 LEU 520 HD21 LEU 520 -1.534 -35.121 -38.101 316 HD22 LEU 520 HD22 LEU 520 -2.030 -36.761 -37.682 317 HD21 LEU 520 HD23 LEU 520 -0.536 -36.492 -38.580 318 H ASP 521 H ASP 521 -2.296 -38.096 -38.580 319 HA ASP 521 HA ASP 521 -0.998 -39.803 -40.531 320 HB2 ASP 521 HB2 ASP 521 -3.478 -39.707 -40.193 321 HB3 ASP 521 HB3 ASP 521 -3.449 -38.093 -40.885 322 H GLU 522 H GLU 522 -1.462 -36.449 -39.913 323 HA GLU 522 HA GLU 522 0.043 -35.808 -42.343 324 HB2 GLU 522 HB2 GLU 522 -2.736 -35.001 -41.579 325 HB3 GLU 522 HB3 GLU 522 -1.767 -33.984 -42.627 326 HG2 GLU 522 HG2 GLU 522 -2.359 -35.216 -44.352 327 HG3 GLU 522 HG3 GLU 522 -1.597 -36.616 -43.620 328 H PHE 523 H PHE 523 1.410 -34.132 -42.176 329 HA PHE 523 HA PHE 523 1.235 -32.499 -39.701 330 HB2 PHE 523 HB2 PHE 523 3.651 -33.224 -41.371 331 HB3 PHE 523 HB3 PHE 523 3.665 -32.042 -40.078 332 HD1 PHE 523 HD1 PHE 523 2.504 -35.588 -40.556 333 HD2 PHE 523 HD2 PHE 523 4.615 -32.750 -38.164 334 HE1 PHE 523 HE1 PHE 523 3.066 -37.379 -38.991 335 HE2 PHE 523 HE2 PHE 523 5.206 -34.551 -36.548 336 HZ PHE 523 HZ PHE 523 4.392 -36.872 -36.952 337 H SER 524 H SER 524 1.116 -30.272 -40.004 338 HA SER 524 HA SER 524 1.907 -29.412 -42.703 339 HB2 SER 524 HB2 SER 524 -0.050 -28.334 -43.252 340 HB3 SER 524 HB3 SER 524 -0.666 -29.750 -42.405 341 HG SER 524 HG SER 524 -1.217 -28.541 -40.767 342 H MET 525 H MET 525 3.076 -27.585 -42.742 343 HA MET 525 HA MET 525 3.196 -26.015 -40.245 344 HB2 MET 525 HB2 MET 525 4.717 -27.934 -40.150 345 HB3 MET 525 HB3 MET 525 5.461 -27.393 -41.649 346 HG2 MET 525 HG2 MET 525 6.685 -26.748 -39.579 347 HG3 MET 525 HG3 MET 525 6.242 -25.397 -40.623 348 HE2 MET 525 HE1 MET 525 5.652 -23.279 -37.307 349 HE1 MET 525 HE2 MET 525 6.717 -23.621 -38.667 350 HE3 MET 525 HE3 MET 525 6.873 -24.556 -37.185 351 H SER 526 H SER 526 4.989 -24.358 -40.485 352 HA SER 526 HA SER 526 4.893 -22.683 -42.765 353 HB2 SER 526 HB2 SER 526 6.936 -21.828 -41.918 354 HB3 SER 526 HB3 SER 526 6.000 -22.272 -40.501 355 HG SER 526 HG SER 526 7.986 -23.850 -41.755 356 H ALA 527 H ALA 527 5.820 -23.025 -44.714 357 HA ALA 527 HA ALA 527 6.615 -25.501 -45.669 358 HB2 ALA 527 HB1 ALA 527 7.279 -22.724 -46.551 359 HB3 ALA 527 HB2 ALA 527 6.034 -23.804 -47.178 360 HB1 ALA 527 HB3 ALA 527 7.738 -24.159 -47.461 361 H ILE 528 H ILE 528 8.704 -22.873 -44.389 362 HA ILE 528 HA ILE 528 11.171 -23.978 -44.953 363 HB ILE 528 HB ILE 528 10.397 -22.380 -42.511 364 HG12 ILE 528 HG12 ILE 528 11.535 -21.460 -45.169 365 HG13 ILE 528 HG13 ILE 528 9.818 -21.396 -44.773 366 HG22 ILE 528 HG21 ILE 528 12.902 -21.645 -42.968 367 HG21 ILE 528 HG22 ILE 528 13.007 -23.238 -43.716 368 HG23 ILE 528 HG23 ILE 528 12.556 -23.090 -42.018 369 HD11 ILE 528 HD11 ILE 528 10.812 -20.190 -42.575 370 HD13 ILE 528 HD12 ILE 528 10.385 -19.298 -44.035 371 HD12 ILE 528 HD13 ILE 528 12.064 -19.747 -43.735 372 H SER 529 H SER 529 8.928 -25.225 -42.613 373 HA SER 529 HA SER 529 11.104 -26.557 -41.203 374 HB2 SER 529 HB2 SER 529 8.459 -25.755 -40.546 375 HB3 SER 529 HB3 SER 529 8.631 -27.492 -40.279 376 HG SER 529 HG SER 529 9.335 -26.065 -38.520 377 H ILE 530 H ILE 530 9.241 -27.145 -43.868 378 HA ILE 530 HA ILE 530 8.471 -29.756 -43.418 379 HB ILE 530 HB ILE 530 8.876 -28.197 -45.901 380 HG12 ILE 530 HG12 ILE 530 6.578 -29.557 -44.529 381 HG13 ILE 530 HG13 ILE 530 6.990 -27.860 -44.401 382 HG23 ILE 530 HG21 ILE 530 9.561 -30.340 -46.644 383 HG22 ILE 530 HG22 ILE 530 7.867 -30.167 -47.105 384 HG21 ILE 530 HG23 ILE 530 8.305 -31.143 -45.701 385 HD13 ILE 530 HD11 ILE 530 5.573 -27.508 -46.075 386 HD12 ILE 530 HD12 ILE 530 5.421 -29.238 -46.391 387 HD11 ILE 530 HD13 ILE 530 6.729 -28.314 -47.133 No H/Q in entry = 387 In of MODEL 1 1 HA PRO 531 HA PRO 531 12.466 -31.399 -45.347 2 HB2 PRO 531 HB2 PRO 531 14.398 -29.231 -44.717 3 HB3 PRO 531 HB3 PRO 531 14.334 -30.339 -46.106 4 HG2 PRO 531 HG2 PRO 531 13.547 -27.842 -46.456 5 HG3 PRO 531 HG3 PRO 531 12.544 -29.155 -47.120 6 HD2 PRO 531 HD2 PRO 531 12.179 -27.645 -44.542 7 HD3 PRO 531 HD3 PRO 531 10.981 -27.988 -45.818 8 H ARG 532 H ARG 532 12.917 -29.335 -42.372 9 HA ARG 532 HA ARG 532 14.787 -31.087 -41.153 10 HB2 ARG 532 HB2 ARG 532 12.732 -29.317 -39.846 11 HB3 ARG 532 HB3 ARG 532 13.973 -30.196 -38.970 12 HG2 ARG 532 HG2 ARG 532 15.046 -28.221 -39.179 13 HG3 ARG 532 HG3 ARG 532 15.525 -28.927 -40.719 14 HD2 ARG 532 HD2 ARG 532 13.582 -27.793 -41.805 15 HD3 ARG 532 HD3 ARG 532 13.199 -27.029 -40.268 16 HE ARG 532 HE ARG 532 15.107 -25.658 -40.500 17 HH21 ARG 532 HH11 ARG 532 16.551 -24.497 -41.769 18 HH22 ARG 532 HH12 ARG 532 16.930 -25.044 -43.368 19 HH11 ARG 532 HH21 ARG 532 14.834 -27.877 -43.213 20 HH12 ARG 532 HH22 ARG 532 15.945 -26.984 -44.200 21 H ILE 533 H ILE 533 11.289 -30.941 -41.029 22 HA ILE 533 HA ILE 533 11.073 -33.082 -39.209 23 HB ILE 533 HB ILE 533 8.709 -32.995 -39.705 24 HG12 ILE 533 HG12 ILE 533 9.497 -31.093 -41.904 25 HG13 ILE 533 HG13 ILE 533 8.789 -32.676 -42.085 26 HG21 ILE 533 HG21 ILE 533 9.984 -31.332 -38.174 27 HG23 ILE 533 HG22 ILE 533 8.294 -31.006 -38.568 28 HG22 ILE 533 HG23 ILE 533 9.578 -30.129 -39.403 29 HD13 ILE 533 HD11 ILE 533 7.042 -31.228 -42.533 30 HD12 ILE 533 HD12 ILE 533 7.502 -30.110 -41.251 31 HD11 ILE 533 HD13 ILE 533 6.764 -31.661 -40.847 32 H LYS 534 H LYS 534 10.725 -32.836 -42.734 33 HA LYS 534 HA LYS 534 9.988 -35.465 -43.298 34 HB2 LYS 534 HB2 LYS 534 10.148 -33.637 -44.967 35 HB3 LYS 534 HB3 LYS 534 11.894 -33.683 -44.829 36 HG2 LYS 534 HG2 LYS 534 11.960 -35.903 -45.734 37 HG3 LYS 534 HG3 LYS 534 10.216 -36.018 -45.702 38 HD2 LYS 534 HD2 LYS 534 10.799 -35.670 -48.004 39 HD3 LYS 534 HD3 LYS 534 10.203 -34.105 -47.448 40 HE2 LYS 534 HE2 LYS 534 12.483 -33.355 -47.065 41 HE3 LYS 534 HE3 LYS 534 13.104 -34.919 -47.524 42 HZ3 LYS 534 HZ1 LYS 534 12.454 -34.521 -49.752 43 HZ2 LYS 534 HZ2 LYS 534 13.375 -33.206 -49.193 44 HZ1 LYS 534 HZ3 LYS 534 11.687 -33.069 -49.326 45 H LYS 535 H LYS 535 13.234 -34.005 -42.828 46 HA LYS 535 HA LYS 535 14.782 -36.255 -43.247 47 HB2 LYS 535 HB2 LYS 535 15.206 -33.656 -42.301 48 HB3 LYS 535 HB3 LYS 535 15.909 -34.737 -41.111 49 HG2 LYS 535 HG2 LYS 535 16.472 -34.960 -44.060 50 HG3 LYS 535 HG3 LYS 535 17.448 -33.985 -42.963 51 HD2 LYS 535 HD2 LYS 535 17.875 -35.979 -41.583 52 HD3 LYS 535 HD3 LYS 535 16.923 -36.950 -42.698 53 HE2 LYS 535 HE2 LYS 535 18.495 -36.463 -44.492 54 HE3 LYS 535 HE3 LYS 535 19.436 -35.435 -43.402 55 HZ1 LYS 535 HZ1 LYS 535 19.380 -37.554 -41.920 56 HZ3 LYS 535 HZ2 LYS 535 20.514 -37.417 -43.177 57 HZ2 LYS 535 HZ3 LYS 535 19.110 -38.349 -43.393 58 H ILE 536 H ILE 536 13.370 -35.118 -40.203 59 HA ILE 536 HA ILE 536 14.473 -37.156 -38.604 60 HB ILE 536 HB ILE 536 11.992 -35.501 -38.179 61 HG12 ILE 536 HG12 ILE 536 14.720 -35.329 -36.895 62 HG13 ILE 536 HG13 ILE 536 14.229 -34.350 -38.266 63 HG23 ILE 536 HG21 ILE 536 11.626 -37.361 -36.781 64 HG22 ILE 536 HG22 ILE 536 12.465 -36.228 -35.722 65 HG21 ILE 536 HG23 ILE 536 13.347 -37.570 -36.451 66 HD12 ILE 536 HD11 ILE 536 14.019 -33.151 -36.086 67 HD11 ILE 536 HD12 ILE 536 12.836 -34.352 -35.568 68 HD13 ILE 536 HD13 ILE 536 12.476 -33.291 -36.931 69 H ILE 537 H ILE 537 11.591 -36.957 -40.556 70 HA ILE 537 HA ILE 537 10.411 -39.305 -39.459 71 HB ILE 537 HB ILE 537 9.769 -37.768 -41.984 72 HG12 ILE 537 HG12 ILE 537 9.331 -36.701 -39.776 73 HG13 ILE 537 HG13 ILE 537 7.889 -36.951 -40.723 74 HG22 ILE 537 HG21 ILE 537 7.628 -39.206 -41.845 75 HG21 ILE 537 HG22 ILE 537 8.610 -40.306 -40.880 76 HG23 ILE 537 HG23 ILE 537 9.080 -39.926 -42.537 77 HD13 ILE 537 HD11 ILE 537 7.111 -37.583 -38.700 78 HD12 ILE 537 HD12 ILE 537 8.697 -38.103 -38.129 79 HD11 ILE 537 HD13 ILE 537 7.766 -39.138 -39.212 80 H ARG 538 H ARG 538 12.251 -38.579 -42.348 81 HA ARG 538 HA ARG 538 12.056 -41.150 -43.419 82 HB2 ARG 538 HB2 ARG 538 12.646 -39.111 -44.644 83 HB3 ARG 538 HB3 ARG 538 14.235 -39.161 -43.899 84 HG2 ARG 538 HG2 ARG 538 14.631 -41.351 -44.909 85 HG3 ARG 538 HG3 ARG 538 13.037 -41.292 -45.655 86 HD2 ARG 538 HD2 ARG 538 13.705 -39.196 -46.799 87 HD3 ARG 538 HD3 ARG 538 15.321 -39.388 -46.133 88 HE ARG 538 HE ARG 538 14.116 -40.952 -48.281 89 HH21 ARG 538 HH11 ARG 538 15.504 -42.312 -49.449 90 HH22 ARG 538 HH12 ARG 538 17.102 -42.620 -48.858 91 HH11 ARG 538 HH21 ARG 538 16.758 -40.643 -46.000 92 HH12 ARG 538 HH22 ARG 538 17.815 -41.676 -46.903 93 H ASN 539 H ASN 539 13.903 -40.116 -40.781 94 HA ASN 539 HA ASN 539 15.794 -42.353 -41.027 95 HB2 ASN 539 HB2 ASN 539 16.079 -39.632 -39.798 96 HB3 ASN 539 HB3 ASN 539 17.198 -40.939 -39.432 97 HD21 ASN 539 HD21 ASN 539 19.041 -40.159 -40.468 98 HD22 ASN 539 HD22 ASN 539 19.162 -39.880 -42.136 99 H THR 540 H THR 540 13.032 -41.964 -39.584 100 HA THR 540 HA THR 540 13.828 -43.036 -36.946 101 HB THR 540 HB THR 540 12.066 -41.232 -36.981 102 HG1 THR 540 HG1 THR 540 11.812 -42.592 -35.300 103 HG21 THR 540 HG21 THR 540 11.201 -42.527 -39.222 104 HG23 THR 540 HG22 THR 540 10.264 -41.347 -38.303 105 HG22 THR 540 HG23 THR 540 10.050 -43.073 -38.005 106 H ASN 541 H ASN 541 12.759 -44.882 -36.265 107 HA ASN 541 HA ASN 541 11.638 -46.544 -38.383 108 HB2 ASN 541 HB2 ASN 541 12.263 -47.646 -35.687 109 HB3 ASN 541 HB3 ASN 541 12.278 -48.442 -37.255 110 HD21 ASN 541 HD21 ASN 541 14.220 -47.486 -34.806 111 HD22 ASN 541 HD22 ASN 541 15.668 -47.228 -35.651 112 H PHE 542 H PHE 542 9.467 -46.720 -38.324 113 HA PHE 542 HA PHE 542 7.991 -45.055 -36.629 114 HB2 PHE 542 HB2 PHE 542 6.091 -45.694 -37.746 115 HB3 PHE 542 HB3 PHE 542 7.360 -45.926 -38.933 116 HD1 PHE 542 HD1 PHE 542 5.286 -47.767 -36.394 117 HD2 PHE 542 HD2 PHE 542 7.620 -48.013 -40.005 118 HE1 PHE 542 HE1 PHE 542 4.529 -50.123 -36.702 119 HE2 PHE 542 HE2 PHE 542 6.890 -50.376 -40.312 120 HZ PHE 542 HZ PHE 542 5.343 -51.436 -38.661 121 H GLU 543 H GLU 543 8.486 -48.557 -36.414 122 HA GLU 543 HA GLU 543 6.585 -48.975 -34.400 123 HB2 GLU 543 HB2 GLU 543 7.672 -50.786 -35.693 124 HB3 GLU 543 HB3 GLU 543 9.151 -50.511 -34.781 125 HG2 GLU 543 HG2 GLU 543 7.976 -51.052 -32.699 126 HG3 GLU 543 HG3 GLU 543 6.483 -51.277 -33.584 127 H ASP 544 H ASP 544 9.932 -48.002 -34.223 128 HA ASP 544 HA ASP 544 10.226 -48.237 -31.439 129 HB2 ASP 544 HB2 ASP 544 12.260 -46.978 -31.730 130 HB3 ASP 544 HB3 ASP 544 12.092 -48.155 -33.023 131 H ALA 545 H ALA 545 9.380 -45.489 -33.458 132 HA ALA 545 HA ALA 545 8.977 -43.504 -31.574 133 HB2 ALA 545 HB1 ALA 545 9.007 -43.265 -34.021 134 HB3 ALA 545 HB2 ALA 545 7.667 -42.448 -33.215 135 HB1 ALA 545 HB3 ALA 545 7.395 -43.976 -34.056 136 H LYS 546 H LYS 546 6.622 -45.988 -32.734 137 HA LYS 546 HA LYS 546 4.424 -45.057 -31.240 138 HB2 LYS 546 HB2 LYS 546 4.303 -46.979 -32.806 139 HB3 LYS 546 HB3 LYS 546 5.178 -47.946 -31.638 140 HG2 LYS 546 HG2 LYS 546 3.373 -47.682 -30.054 141 HG3 LYS 546 HG3 LYS 546 2.510 -46.658 -31.190 142 HD2 LYS 546 HD2 LYS 546 2.372 -48.553 -32.770 143 HD3 LYS 546 HD3 LYS 546 3.204 -49.572 -31.600 144 HE2 LYS 546 HE2 LYS 546 0.559 -48.176 -31.105 145 HE3 LYS 546 HE3 LYS 546 0.729 -49.870 -31.555 146 HZ3 LYS 546 HZ1 LYS 546 0.660 -50.081 -29.305 147 HZ2 LYS 546 HZ2 LYS 546 1.327 -48.546 -29.011 148 HZ1 LYS 546 HZ3 LYS 546 2.332 -49.838 -29.469 149 H VAL 547 H VAL 547 6.850 -47.499 -30.301 150 HA VAL 547 HA VAL 547 6.142 -47.762 -27.629 151 HB VAL 547 HB VAL 547 8.855 -47.959 -28.957 152 HG11 VAL 547 HG11 VAL 547 8.150 -48.417 -26.107 153 HG13 VAL 547 HG12 VAL 547 9.412 -47.390 -26.791 154 HG12 VAL 547 HG13 VAL 547 9.556 -49.146 -26.881 155 HG22 VAL 547 HG21 VAL 547 7.342 -49.729 -29.637 156 HG21 VAL 547 HG22 VAL 547 6.882 -50.052 -27.965 157 HG23 VAL 547 HG23 VAL 547 8.514 -50.430 -28.517 158 H LEU 548 H LEU 548 8.209 -45.270 -29.124 159 HA LEU 548 HA LEU 548 9.032 -44.033 -26.738 160 HB2 LEU 548 HB2 LEU 548 10.071 -43.457 -28.821 161 HB3 LEU 548 HB3 LEU 548 8.544 -42.970 -29.510 162 HG LEU 548 HG LEU 548 8.510 -40.998 -28.029 163 HD13 LEU 548 HD11 LEU 548 10.432 -40.382 -26.724 164 HD12 LEU 548 HD12 LEU 548 11.304 -41.825 -27.246 165 HD11 LEU 548 HD13 LEU 548 9.903 -41.975 -26.183 166 HD21 LEU 548 HD21 LEU 548 11.030 -41.489 -29.567 167 HD23 LEU 548 HD22 LEU 548 10.368 -39.907 -29.153 168 HD22 LEU 548 HD23 LEU 548 9.480 -40.983 -30.234 169 H ALA 549 H ALA 549 6.327 -43.394 -28.967 170 HA ALA 549 HA ALA 549 5.263 -41.191 -27.684 171 HB2 ALA 549 HB1 ALA 549 4.388 -41.545 -29.795 172 HB1 ALA 549 HB2 ALA 549 3.060 -42.097 -28.775 173 HB3 ALA 549 HB3 ALA 549 4.148 -43.270 -29.518 174 H GLU 550 H GLU 550 4.401 -44.593 -27.417 175 HA GLU 550 HA GLU 550 2.394 -44.191 -25.589 176 HB2 GLU 550 HB2 GLU 550 2.893 -46.283 -26.741 177 HB3 GLU 550 HB3 GLU 550 4.272 -46.507 -25.664 178 HG2 GLU 550 HG2 GLU 550 2.775 -46.331 -23.761 179 HG3 GLU 550 HG3 GLU 550 1.415 -46.194 -24.866 180 H GLN 551 H GLN 551 5.865 -44.854 -24.864 181 HA GLN 551 HA GLN 551 5.671 -44.712 -22.115 182 HB2 GLN 551 HB2 GLN 551 7.890 -43.644 -23.841 183 HB3 GLN 551 HB3 GLN 551 8.000 -43.970 -22.116 184 HG2 GLN 551 HG2 GLN 551 7.140 -46.329 -22.869 185 HG3 GLN 551 HG3 GLN 551 7.844 -45.838 -24.402 186 HE21 GLN 551 HE21 GLN 551 8.449 -47.175 -21.332 187 HE22 GLN 551 HE22 GLN 551 10.145 -47.130 -21.369 188 H ALA 552 H ALA 552 6.221 -42.018 -24.398 189 HA ALA 552 HA ALA 552 6.548 -40.035 -22.537 190 HB3 ALA 552 HB1 ALA 552 6.220 -38.485 -24.261 191 HB1 ALA 552 HB2 ALA 552 5.186 -39.595 -25.162 192 HB2 ALA 552 HB3 ALA 552 6.914 -39.919 -25.015 193 H LEU 553 H LEU 553 3.578 -41.294 -23.914 194 HA LEU 553 HA LEU 553 1.884 -39.319 -22.835 195 HB2 LEU 553 HB2 LEU 553 1.297 -42.030 -23.936 196 HB3 LEU 553 HB3 LEU 553 0.043 -41.022 -23.245 197 HG LEU 553 HG LEU 553 1.858 -40.092 -25.447 198 HD11 LEU 553 HD11 LEU 553 -0.201 -42.092 -25.722 199 HD13 LEU 553 HD12 LEU 553 0.919 -41.464 -26.931 200 HD12 LEU 553 HD13 LEU 553 -0.626 -40.658 -26.659 201 HD21 LEU 553 HD21 LEU 553 -0.643 -38.991 -24.247 202 HD23 LEU 553 HD22 LEU 553 -0.271 -38.654 -25.938 203 HD22 LEU 553 HD23 LEU 553 0.863 -38.177 -24.674 204 H ALA 554 H ALA 554 3.460 -41.792 -21.190 205 HA ALA 554 HA ALA 554 1.375 -41.864 -19.142 206 HB2 ALA 554 HB1 ALA 554 2.628 -43.731 -18.142 207 HB1 ALA 554 HB2 ALA 554 3.909 -43.530 -19.337 208 HB3 ALA 554 HB3 ALA 554 2.302 -44.048 -19.848 209 H GLN 555 H GLN 555 4.277 -40.221 -19.789 210 HA GLN 555 HA GLN 555 5.313 -39.909 -17.184 211 HB2 GLN 555 HB2 GLN 555 5.530 -38.164 -19.614 212 HB3 GLN 555 HB3 GLN 555 6.500 -37.998 -18.167 213 HG2 GLN 555 HG2 GLN 555 6.658 -40.007 -20.352 214 HG3 GLN 555 HG3 GLN 555 7.944 -39.172 -19.500 215 HE21 GLN 555 HE21 GLN 555 8.289 -39.907 -17.162 216 HE22 GLN 555 HE22 GLN 555 8.112 -41.558 -16.811 No H/Q in entry = 216 In of MODEL 1 1 HA PRO 556 HA PRO 556 2.342 -36.851 -15.898 2 HB2 PRO 556 HB2 PRO 556 3.065 -36.442 -13.346 3 HB3 PRO 556 HB3 PRO 556 2.408 -38.025 -13.834 4 HG2 PRO 556 HG2 PRO 556 5.351 -37.246 -13.520 5 HG3 PRO 556 HG3 PRO 556 4.520 -38.680 -12.870 6 HD2 PRO 556 HD2 PRO 556 5.922 -38.750 -15.218 7 HD3 PRO 556 HD3 PRO 556 4.496 -39.768 -14.925 8 H THR 557 H THR 557 5.501 -36.357 -16.665 9 HA THR 557 HA THR 557 5.384 -33.499 -16.079 10 HB THR 557 HB THR 557 6.832 -35.444 -14.558 11 HG1 THR 557 HG1 THR 557 6.379 -32.696 -14.518 12 HG23 THR 557 HG21 THR 557 9.056 -34.773 -14.544 13 HG22 THR 557 HG22 THR 557 8.731 -33.351 -15.536 14 HG21 THR 557 HG23 THR 557 8.666 -34.962 -16.253 15 H THR 558 H THR 558 6.377 -32.222 -17.547 16 HA THR 558 HA THR 558 6.838 -33.141 -20.158 17 HB THR 558 HB THR 558 7.505 -30.545 -18.735 18 HG1 THR 558 HG1 THR 558 5.935 -30.624 -20.998 19 HG22 THR 558 HG21 THR 558 7.751 -29.848 -21.310 20 HG21 THR 558 HG22 THR 558 8.426 -31.476 -21.382 21 HG23 THR 558 HG23 THR 558 9.126 -30.276 -20.294 22 H ASP 559 H ASP 559 9.158 -32.111 -17.639 23 HA ASP 559 HA ASP 559 11.435 -32.533 -19.078 24 HB2 ASP 559 HB2 ASP 559 11.555 -31.551 -16.920 25 HB3 ASP 559 HB3 ASP 559 10.994 -33.033 -16.157 26 H GLU 560 H GLU 560 9.627 -34.938 -17.274 27 HA GLU 560 HA GLU 560 11.379 -37.084 -17.668 28 HB2 GLU 560 HB2 GLU 560 8.485 -36.845 -17.015 29 HB3 GLU 560 HB3 GLU 560 9.183 -38.423 -17.352 30 HG2 GLU 560 HG2 GLU 560 10.684 -38.244 -15.567 31 HG3 GLU 560 HG3 GLU 560 10.362 -36.526 -15.371 32 H LEU 561 H LEU 561 8.786 -35.835 -19.613 33 HA LEU 561 HA LEU 561 8.810 -37.980 -21.515 34 HB2 LEU 561 HB2 LEU 561 6.826 -37.190 -21.410 35 HB3 LEU 561 HB3 LEU 561 7.319 -35.727 -20.706 36 HG LEU 561 HG LEU 561 6.297 -36.326 -23.427 37 HD12 LEU 561 HD11 LEU 561 4.783 -34.584 -22.609 38 HD11 LEU 561 HD12 LEU 561 5.751 -34.455 -21.139 39 HD13 LEU 561 HD13 LEU 561 4.881 -35.948 -21.498 40 HD23 LEU 561 HD21 LEU 561 6.710 -33.965 -23.929 41 HD22 LEU 561 HD22 LEU 561 8.216 -34.871 -23.766 42 HD21 LEU 561 HD23 LEU 561 7.662 -33.830 -22.453 43 HA MET 562 HA MET 562 11.459 -34.754 -23.875 44 HB2 MET 562 HB2 MET 562 12.592 -33.502 -21.390 45 HG2 MET 562 HG2 MET 562 10.161 -32.850 -22.276 46 HE3 MET 562 HE1 MET 562 12.014 -29.392 -23.068 47 HE2 MET 562 HE2 MET 562 12.848 -29.637 -24.599 48 HE1 MET 562 HE3 MET 562 13.291 -30.615 -23.206 49 H MET 562 HN MET 562 10.363 -34.789 -21.245 50 HB3 MET 562 HB1 MET 562 13.033 -33.130 -23.047 51 HG3 MET 562 HG1 MET 562 11.299 -31.633 -21.699 52 H THR 563 H THR 563 12.464 -36.230 -20.830 53 HA THR 563 HA THR 563 15.058 -36.919 -21.597 54 HB THR 563 HB THR 563 13.141 -38.245 -19.708 55 HG1 THR 563 HG1 THR 563 14.576 -36.081 -19.625 56 HG21 THR 563 HG21 THR 563 15.985 -38.946 -20.413 57 HG23 THR 563 HG22 THR 563 14.604 -40.025 -20.208 58 HG22 THR 563 HG23 THR 563 15.342 -39.259 -18.801 59 H LEU 564 H LEU 564 12.064 -38.801 -21.949 60 HA LEU 564 HA LEU 564 13.055 -41.123 -23.096 61 HB2 LEU 564 HB2 LEU 564 10.512 -39.644 -23.543 62 HB3 LEU 564 HB3 LEU 564 10.870 -41.109 -24.389 63 HG LEU 564 HG LEU 564 9.313 -41.619 -22.730 64 HD12 LEU 564 HD11 LEU 564 11.934 -42.359 -21.455 65 HD11 LEU 564 HD12 LEU 564 11.159 -43.258 -22.760 66 HD13 LEU 564 HD13 LEU 564 10.370 -43.126 -21.188 67 HD22 LEU 564 HD21 LEU 564 9.520 -39.641 -21.507 68 HD21 LEU 564 HD22 LEU 564 11.112 -40.123 -20.919 69 HD23 LEU 564 HD23 LEU 564 9.674 -41.016 -20.420 70 H VAL 565 H VAL 565 11.717 -38.306 -24.749 71 HA VAL 565 HA VAL 565 12.327 -38.880 -27.378 72 HB VAL 565 HB VAL 565 12.437 -36.218 -25.972 73 HG13 VAL 565 HG11 VAL 565 13.604 -35.847 -27.973 74 HG12 VAL 565 HG12 VAL 565 11.959 -35.296 -28.296 75 HG11 VAL 565 HG13 VAL 565 12.503 -36.858 -28.909 76 HG21 VAL 565 HG21 VAL 565 10.203 -37.824 -27.186 77 HG23 VAL 565 HG22 VAL 565 10.110 -36.063 -27.223 78 HG22 VAL 565 HG23 VAL 565 10.235 -36.906 -25.679 79 H ASN 566 H ASN 566 14.498 -37.209 -25.051 80 HA ASN 566 HA ASN 566 16.618 -37.006 -26.879 81 HB2 ASN 566 HB2 ASN 566 16.654 -36.960 -23.887 82 HB3 ASN 566 HB3 ASN 566 18.049 -36.617 -24.899 83 HD21 ASN 566 HD21 ASN 566 16.749 -34.848 -23.046 84 HD22 ASN 566 HD22 ASN 566 16.191 -33.503 -23.919 85 H LYS 567 H LYS 567 16.131 -39.565 -24.389 86 HA LYS 567 HA LYS 567 18.564 -40.862 -24.979 87 HB2 LYS 567 HB2 LYS 567 16.180 -41.492 -23.451 88 HB3 LYS 567 HB3 LYS 567 16.820 -42.904 -24.272 89 HG2 LYS 567 HG2 LYS 567 18.715 -42.947 -23.002 90 HG3 LYS 567 HG3 LYS 567 18.763 -41.194 -22.818 91 HD2 LYS 567 HD2 LYS 567 16.443 -41.784 -21.484 92 HD3 LYS 567 HD3 LYS 567 17.382 -43.232 -21.154 93 HE2 LYS 567 HE2 LYS 567 19.246 -41.753 -20.310 94 HE3 LYS 567 HE3 LYS 567 18.189 -40.368 -20.522 95 HZ3 LYS 567 HZ1 LYS 567 16.854 -41.012 -18.775 96 HZ2 LYS 567 HZ2 LYS 567 18.388 -41.487 -18.221 97 HZ1 LYS 567 HZ3 LYS 567 17.318 -42.641 -18.860 98 H PHE 568 H PHE 568 15.481 -40.849 -26.543 99 HA PHE 568 HA PHE 568 15.816 -43.092 -28.231 100 HB2 PHE 568 HB2 PHE 568 13.731 -41.768 -27.756 101 HB3 PHE 568 HB3 PHE 568 14.372 -40.521 -28.808 102 HD1 PHE 568 HD1 PHE 568 12.539 -43.567 -28.611 103 HD2 PHE 568 HD2 PHE 568 14.901 -41.169 -31.217 104 HE1 PHE 568 HE1 PHE 568 11.536 -44.704 -30.576 105 HE2 PHE 568 HE2 PHE 568 13.913 -42.287 -33.174 106 HZ PHE 568 HZ PHE 568 12.225 -44.060 -32.875 107 H ILE 569 H ILE 569 16.240 -39.617 -28.896 108 HA ILE 569 HA ILE 569 17.343 -39.808 -31.397 109 HB ILE 569 HB ILE 569 17.400 -37.778 -29.239 110 HG12 ILE 569 HG12 ILE 569 16.582 -37.478 -32.120 111 HG13 ILE 569 HG13 ILE 569 15.529 -38.236 -30.942 112 HG21 ILE 569 HG21 ILE 569 19.185 -37.776 -31.624 113 HG23 ILE 569 HG22 ILE 569 19.581 -37.482 -29.930 114 HG22 ILE 569 HG23 ILE 569 18.661 -36.285 -30.843 115 HD11 ILE 569 HD11 ILE 569 16.647 -35.453 -30.521 116 HD13 ILE 569 HD12 ILE 569 15.271 -36.207 -29.716 117 HD12 ILE 569 HD13 ILE 569 15.150 -35.736 -31.411 118 H GLU 570 H GLU 570 18.955 -40.042 -28.307 119 HA GLU 570 HA GLU 570 21.666 -40.092 -29.120 120 HB2 GLU 570 HB2 GLU 570 20.174 -41.352 -26.839 121 HB3 GLU 570 HB3 GLU 570 21.885 -41.604 -27.066 122 HG2 GLU 570 HG2 GLU 570 21.912 -38.979 -27.044 123 HG3 GLU 570 HG3 GLU 570 20.408 -39.218 -26.155 124 H GLU 571 H GLU 571 19.446 -42.739 -28.365 125 HA GLU 571 HA GLU 571 21.365 -44.662 -29.129 126 HB2 GLU 571 HB2 GLU 571 18.497 -45.142 -28.395 127 HB3 GLU 571 HB3 GLU 571 19.850 -46.254 -28.252 128 HG2 GLU 571 HG2 GLU 571 20.886 -44.575 -26.639 129 HG3 GLU 571 HG3 GLU 571 19.347 -43.740 -26.650 130 H LYS 572 H LYS 572 18.780 -43.166 -30.832 131 HA LYS 572 HA LYS 572 18.575 -45.438 -32.626 132 HB2 LYS 572 HB2 LYS 572 16.542 -43.282 -32.227 133 HB3 LYS 572 HB3 LYS 572 16.342 -44.754 -33.145 134 HG2 LYS 572 HG2 LYS 572 17.034 -45.020 -30.255 135 HG3 LYS 572 HG3 LYS 572 15.417 -44.461 -30.657 136 HD2 LYS 572 HD2 LYS 572 15.404 -46.501 -32.278 137 HD3 LYS 572 HD3 LYS 572 16.723 -47.083 -31.273 138 HE2 LYS 572 HE2 LYS 572 13.985 -46.300 -30.277 139 HE3 LYS 572 HE3 LYS 572 14.519 -47.944 -30.567 140 HZ2 LYS 572 HZ1 LYS 572 14.662 -46.644 -28.215 141 HZ1 LYS 572 HZ2 LYS 572 16.243 -46.454 -28.808 142 HZ3 LYS 572 HZ3 LYS 572 15.581 -48.009 -28.628 143 H THR 573 H THR 573 19.838 -42.304 -32.972 144 HA THR 573 HA THR 573 20.672 -43.027 -35.535 145 HB THR 573 HB THR 573 18.691 -42.306 -36.595 146 HG1 THR 573 HG1 THR 573 20.491 -40.120 -36.744 147 HG23 THR 573 HG21 THR 573 17.391 -40.384 -36.091 148 HG22 THR 573 HG22 THR 573 18.711 -39.608 -35.215 149 HG21 THR 573 HG23 THR 573 17.882 -40.998 -34.512 No H/Q in entry = 149 In of MODEL 1 1 H1 MET 601 H3 MET 601 -24.095 19.461 -10.584 2 H2 MET 601 H2 MET 601 -24.796 20.660 -9.606 3 H3 MET 601 H1 MET 601 -23.371 19.880 -9.109 4 HA MET 601 HA MET 601 -25.110 18.933 -7.851 5 HB2 MET 601 HB2 MET 601 -26.882 19.755 -9.484 6 HB3 MET 601 HB3 MET 601 -26.511 18.352 -10.481 7 HG2 MET 601 HG2 MET 601 -27.520 16.870 -9.013 8 HG3 MET 601 HG3 MET 601 -27.089 17.811 -7.590 9 HE1 MET 601 HE1 MET 601 -29.835 16.355 -8.899 10 HE3 MET 601 HE2 MET 601 -29.678 17.206 -10.431 11 HE2 MET 601 HE3 MET 601 -31.076 17.511 -9.403 12 H PHE 602 H PHE 602 -25.535 16.528 -7.696 13 HA PHE 602 HA PHE 602 -24.001 14.842 -9.581 14 HB2 PHE 602 HB2 PHE 602 -22.359 15.781 -7.853 15 HB3 PHE 602 HB3 PHE 602 -23.229 14.826 -6.654 16 HD1 PHE 602 HD1 PHE 602 -21.045 14.708 -9.621 17 HD2 PHE 602 HD2 PHE 602 -23.162 12.384 -6.686 18 HE1 PHE 602 HE1 PHE 602 -19.762 12.684 -10.297 19 HE2 PHE 602 HE2 PHE 602 -21.884 10.359 -7.360 20 HZ PHE 602 HZ PHE 602 -20.183 10.513 -9.171 21 H GLN 603 H GLN 603 -24.540 12.588 -9.359 22 HA GLN 603 HA GLN 603 -26.489 11.863 -7.243 23 HB2 GLN 603 HB2 GLN 603 -28.120 11.053 -8.945 24 HB3 GLN 603 HB3 GLN 603 -27.895 12.801 -9.001 25 HG2 GLN 603 HG2 GLN 603 -26.251 12.504 -10.849 26 HG3 GLN 603 HG3 GLN 603 -26.579 10.768 -10.829 27 HE21 GLN 603 HE21 GLN 603 -27.440 10.943 -13.064 28 HE22 GLN 603 HE22 GLN 603 -28.986 11.592 -13.331 29 H GLN 604 H GLN 604 -26.945 9.541 -7.196 30 HA GLN 604 HA GLN 604 -25.248 7.769 -8.820 31 HB2 GLN 604 HB2 GLN 604 -23.756 8.504 -6.980 32 HB3 GLN 604 HB3 GLN 604 -24.928 7.899 -5.812 33 HG2 GLN 604 HG2 GLN 604 -24.141 5.770 -6.023 34 HG3 GLN 604 HG3 GLN 604 -24.338 5.812 -7.771 35 HE21 GLN 604 HE21 GLN 604 -22.278 4.718 -8.125 36 HE22 GLN 604 HE22 GLN 604 -20.802 5.510 -7.861 37 H GLU 605 H GLU 605 -25.975 5.561 -8.692 38 HA GLU 605 HA GLU 605 -28.630 5.201 -7.400 39 HB2 GLU 605 HB2 GLU 605 -27.367 3.716 -9.716 40 HB3 GLU 605 HB3 GLU 605 -28.965 3.391 -9.043 41 HG2 GLU 605 HG2 GLU 605 -29.808 5.500 -9.747 42 HG3 GLU 605 HG3 GLU 605 -28.189 6.114 -10.100 43 H VAL 606 H VAL 606 -28.797 3.708 -5.792 44 HA VAL 606 HA VAL 606 -26.618 1.626 -5.581 45 HB VAL 606 HB VAL 606 -26.028 3.313 -4.012 46 HG11 VAL 606 HG11 VAL 606 -28.900 3.168 -3.053 47 HG13 VAL 606 HG12 VAL 606 -28.146 4.519 -3.890 48 HG12 VAL 606 HG13 VAL 606 -27.624 4.092 -2.264 49 HG22 VAL 606 HG21 VAL 606 -26.053 2.085 -1.951 50 HG21 VAL 606 HG22 VAL 606 -26.005 0.893 -3.249 51 HG23 VAL 606 HG23 VAL 606 -27.519 1.222 -2.408 52 H THR 607 H THR 607 -27.367 -0.321 -5.605 53 HA THR 607 HA THR 607 -30.165 -0.985 -5.220 54 HB THR 607 HB THR 607 -27.790 -2.846 -5.472 55 HG1 THR 607 HG1 THR 607 -27.881 -2.479 -7.543 56 HG23 THR 607 HG21 THR 607 -29.654 -4.124 -4.757 57 HG22 THR 607 HG22 THR 607 -29.646 -4.301 -6.509 58 HG21 THR 607 HG23 THR 607 -30.777 -3.190 -5.741 59 H ILE 608 H ILE 608 -30.913 -0.807 -3.206 60 HA ILE 608 HA ILE 608 -29.575 -1.145 -0.776 61 HB ILE 608 HB ILE 608 -32.489 -1.651 -1.426 62 HG12 ILE 608 HG12 ILE 608 -31.092 0.721 -0.140 63 HG13 ILE 608 HG13 ILE 608 -31.423 0.612 -1.867 64 HG23 ILE 608 HG21 ILE 608 -32.019 -2.772 0.710 65 HG22 ILE 608 HG22 ILE 608 -32.815 -1.247 1.090 66 HG21 ILE 608 HG23 ILE 608 -31.078 -1.401 1.288 67 HD13 ILE 608 HD11 ILE 608 -33.670 0.968 -1.604 68 HD12 ILE 608 HD12 ILE 608 -33.156 1.750 -0.108 69 HD11 ILE 608 HD13 ILE 608 -33.737 0.087 -0.082 70 H THR 609 H THR 609 -28.612 -2.764 0.131 71 HA THR 609 HA THR 609 -29.326 -5.555 -0.637 72 HB THR 609 HB THR 609 -26.997 -6.066 0.271 73 HG1 THR 609 HG1 THR 609 -26.158 -4.432 1.279 74 HG22 THR 609 HG21 THR 609 -26.865 -4.077 -1.978 75 HG21 THR 609 HG22 THR 609 -27.729 -5.599 -2.195 76 HG23 THR 609 HG23 THR 609 -26.010 -5.608 -1.802 77 H ALA 610 H ALA 610 -30.457 -3.735 1.585 78 HA ALA 610 HA ALA 610 -29.609 -5.055 4.044 79 HB3 ALA 610 HB1 ALA 610 -31.752 -3.910 4.938 80 HB2 ALA 610 HB2 ALA 610 -31.857 -3.158 3.346 81 HB1 ALA 610 HB3 ALA 610 -30.453 -2.861 4.370 No H/Q in entry = 81 In of MODEL 1 1 HA PRO 611 HA PRO 611 -32.048 -8.714 2.919 2 HB2 PRO 611 HB2 PRO 611 -31.781 -9.388 5.802 3 HB3 PRO 611 HB3 PRO 611 -31.369 -10.353 4.373 4 HG2 PRO 611 HG2 PRO 611 -29.494 -9.206 5.907 5 HG3 PRO 611 HG3 PRO 611 -29.298 -9.399 4.157 6 HD2 PRO 611 HD2 PRO 611 -29.902 -6.930 5.724 7 HD3 PRO 611 HD3 PRO 611 -29.006 -7.110 4.198 8 H ASN 612 H ASN 612 -32.868 -6.323 5.259 9 HA ASN 612 HA ASN 612 -35.684 -7.355 5.356 10 HB2 ASN 612 HB2 ASN 612 -35.940 -6.328 7.537 11 HB3 ASN 612 HB3 ASN 612 -34.501 -7.345 7.578 12 HD21 ASN 612 HD21 ASN 612 -35.443 -4.524 8.797 13 HD22 ASN 612 HD22 ASN 612 -34.018 -3.616 8.659 14 H GLY 613 H GLY 613 -33.955 -5.276 3.690 15 HA3 GLY 613 HA2 GLY 613 -34.607 -3.376 2.449 16 HA2 GLY 613 HA3 GLY 613 -36.195 -3.479 3.215 17 H LEU 614 H LEU 614 -35.344 -0.967 3.038 18 HA LEU 614 HA LEU 614 -33.698 -0.186 5.328 19 HB2 LEU 614 HB2 LEU 614 -33.990 0.937 2.950 20 HB3 LEU 614 HB3 LEU 614 -35.410 1.676 3.675 21 HG LEU 614 HG LEU 614 -33.710 2.287 5.635 22 HD13 LEU 614 HD11 LEU 614 -31.451 2.682 4.820 23 HD12 LEU 614 HD12 LEU 614 -31.892 2.130 3.213 24 HD11 LEU 614 HD13 LEU 614 -31.859 0.988 4.557 25 HD23 LEU 614 HD21 LEU 614 -33.705 3.723 2.960 26 HD22 LEU 614 HD22 LEU 614 -33.273 4.439 4.511 27 HD21 LEU 614 HD23 LEU 614 -34.930 3.915 4.214 28 H HIS 615 H HIS 615 -35.021 -1.003 7.129 29 HA HIS 615 HA HIS 615 -37.765 0.136 7.349 30 HB2 HIS 615 HB2 HIS 615 -36.408 -1.896 9.122 31 HB3 HIS 615 HB3 HIS 615 -38.012 -1.251 9.409 32 HD1 HIS 615 HD1 HIS 615 -37.787 -4.236 9.019 33 HD2 HIS 615 HD2 HIS 615 -38.400 -1.592 5.845 34 HE1 HIS 615 HE1 HIS 615 -38.952 -5.554 7.198 35 HE2 HIS 615 HE2 HIS 615 -39.342 -3.952 5.264 36 H THR 616 H THR 616 -37.935 0.384 10.167 37 HA THR 616 HA THR 616 -37.244 3.094 10.440 38 HB THR 616 HB THR 616 -37.564 1.167 12.754 39 HG1 THR 616 HG1 THR 616 -39.422 0.809 11.859 40 HG23 THR 616 HG21 THR 616 -38.439 3.103 13.912 41 HG22 THR 616 HG22 THR 616 -38.390 4.067 12.435 42 HG21 THR 616 HG23 THR 616 -36.888 3.559 13.207 43 H ARG 617 H ARG 617 -35.373 0.268 11.641 44 HA ARG 617 HA ARG 617 -33.519 1.840 13.076 45 HB2 ARG 617 HB2 ARG 617 -33.390 -0.410 13.622 46 HB3 ARG 617 HB3 ARG 617 -33.472 -0.931 11.967 47 HG2 ARG 617 HG2 ARG 617 -31.244 -1.344 12.939 48 HG3 ARG 617 HG3 ARG 617 -31.128 -0.224 11.596 49 HD2 ARG 617 HD2 ARG 617 -31.298 1.632 13.406 50 HD3 ARG 617 HD3 ARG 617 -30.941 0.360 14.553 51 HE ARG 617 HE ARG 617 -29.061 1.742 12.904 52 HH21 ARG 617 HH11 ARG 617 -27.041 0.930 12.394 53 HH22 ARG 617 HH12 ARG 617 -26.710 -0.754 12.634 54 HH11 ARG 617 HH21 ARG 617 -29.850 -1.469 13.890 55 HH12 ARG 617 HH22 ARG 617 -28.298 -2.106 13.472 No H/Q in entry = 55 In of MODEL 1 1 HA PRO 618 HA PRO 618 -30.521 1.963 9.362 2 HB2 PRO 618 HB2 PRO 618 -31.689 1.532 6.865 3 HB3 PRO 618 HB3 PRO 618 -30.755 0.333 7.766 4 HG2 PRO 618 HG2 PRO 618 -33.720 0.623 7.512 5 HG3 PRO 618 HG3 PRO 618 -32.748 -0.851 7.594 6 HD2 PRO 618 HD2 PRO 618 -34.183 0.087 9.747 7 HD3 PRO 618 HD3 PRO 618 -32.648 -0.804 9.931 8 H ALA 619 H ALA 619 -33.894 2.928 8.842 9 HA ALA 619 HA ALA 619 -33.387 5.261 7.281 10 HB2 ALA 619 HB1 ALA 619 -35.662 4.600 7.472 11 HB3 ALA 619 HB2 ALA 619 -35.561 6.089 8.415 12 HB1 ALA 619 HB3 ALA 619 -35.573 4.525 9.235 13 H ALA 620 H ALA 620 -33.758 4.875 10.810 14 HA ALA 620 HA ALA 620 -33.242 7.535 11.581 15 HB3 ALA 620 HB1 ALA 620 -33.849 5.580 13.107 16 HB1 ALA 620 HB2 ALA 620 -32.594 6.652 13.737 17 HB2 ALA 620 HB3 ALA 620 -32.154 5.101 13.032 18 H GLN 621 H GLN 621 -30.907 4.958 10.811 19 HA GLN 621 HA GLN 621 -28.648 6.672 11.402 20 HB2 GLN 621 HB2 GLN 621 -28.538 4.158 11.476 21 HB3 GLN 621 HB3 GLN 621 -28.733 4.120 9.728 22 HG2 GLN 621 HG2 GLN 621 -26.366 3.923 10.243 23 HG3 GLN 621 HG3 GLN 621 -26.642 5.511 9.526 24 HE21 GLN 621 HE21 GLN 621 -25.579 7.141 10.634 25 HE22 GLN 621 HE22 GLN 621 -25.279 7.153 12.304 26 H PHE 622 H PHE 622 -30.429 5.752 8.480 27 HA PHE 622 HA PHE 622 -28.727 7.043 6.589 28 HB2 PHE 622 HB2 PHE 622 -30.553 5.509 5.931 29 HB3 PHE 622 HB3 PHE 622 -31.742 6.705 6.448 30 HD1 PHE 622 HD1 PHE 622 -28.931 6.098 4.063 31 HD2 PHE 622 HD2 PHE 622 -32.342 8.543 5.041 32 HE1 PHE 622 HE1 PHE 622 -28.783 7.197 1.834 33 HE2 PHE 622 HE2 PHE 622 -32.187 9.644 2.812 34 HZ PHE 622 HZ PHE 622 -30.408 8.969 1.212 35 H VAL 623 H VAL 623 -31.688 8.354 8.224 36 HA VAL 623 HA VAL 623 -31.351 10.952 7.065 37 HB VAL 623 HB VAL 623 -32.816 10.118 9.593 38 HG12 VAL 623 HG11 VAL 623 -34.011 12.394 8.257 39 HG11 VAL 623 HG12 VAL 623 -32.311 12.748 8.523 40 HG13 VAL 623 HG13 VAL 623 -33.340 12.315 9.882 41 HG23 VAL 623 HG21 VAL 623 -34.806 10.186 8.041 42 HG22 VAL 623 HG22 VAL 623 -33.649 8.907 7.670 43 HG21 VAL 623 HG23 VAL 623 -33.685 10.378 6.692 44 H LYS 624 H LYS 624 -29.987 9.421 9.884 45 HA LYS 624 HA LYS 624 -29.136 11.764 11.302 46 HB2 LYS 624 HB2 LYS 624 -29.026 9.370 12.152 47 HB3 LYS 624 HB3 LYS 624 -27.583 9.164 11.161 48 HG2 LYS 624 HG2 LYS 624 -26.701 11.289 12.358 49 HG3 LYS 624 HG3 LYS 624 -27.994 10.998 13.519 50 HD2 LYS 624 HD2 LYS 624 -25.709 9.135 12.826 51 HD3 LYS 624 HD3 LYS 624 -26.014 9.923 14.373 52 HE2 LYS 624 HE2 LYS 624 -28.318 8.641 14.247 53 HE3 LYS 624 HE3 LYS 624 -27.448 7.602 13.121 54 HZ3 LYS 624 HZ1 LYS 624 -26.198 6.747 14.747 55 HZ2 LYS 624 HZ2 LYS 624 -27.411 7.329 15.789 56 HZ1 LYS 624 HZ3 LYS 624 -25.998 8.238 15.534 57 H GLU 625 H GLU 625 -27.491 9.842 8.787 58 HA GLU 625 HA GLU 625 -25.090 11.391 8.735 59 HB2 GLU 625 HB2 GLU 625 -25.438 9.113 7.672 60 HB3 GLU 625 HB3 GLU 625 -26.324 9.924 6.384 61 HG2 GLU 625 HG2 GLU 625 -24.151 9.815 5.505 62 HG3 GLU 625 HG3 GLU 625 -24.192 11.436 6.196 63 H ALA 626 H ALA 626 -28.042 11.611 6.698 64 HA ALA 626 HA ALA 626 -27.141 13.740 5.069 65 HB1 ALA 626 HB1 ALA 626 -29.966 13.102 5.945 66 HB2 ALA 626 HB2 ALA 626 -29.138 12.409 4.551 67 HB3 ALA 626 HB3 ALA 626 -29.526 14.130 4.584 68 H LYS 627 H LYS 627 -29.218 13.997 8.000 69 HA LYS 627 HA LYS 627 -29.379 16.809 8.016 70 HB2 LYS 627 HB2 LYS 627 -29.368 14.833 10.299 71 HB3 LYS 627 HB3 LYS 627 -29.583 16.564 10.562 72 HG2 LYS 627 HG2 LYS 627 -31.525 16.556 9.030 73 HG3 LYS 627 HG3 LYS 627 -31.312 14.824 8.776 74 HD2 LYS 627 HD2 LYS 627 -31.727 14.386 11.139 75 HD3 LYS 627 HD3 LYS 627 -31.832 16.110 11.474 76 HE2 LYS 627 HE2 LYS 627 -33.682 14.626 9.583 77 HE3 LYS 627 HE3 LYS 627 -34.072 14.999 11.262 78 HZ3 LYS 627 HZ1 LYS 627 -34.156 17.246 10.841 79 HZ2 LYS 627 HZ2 LYS 627 -34.813 16.608 9.410 80 HZ1 LYS 627 HZ3 LYS 627 -33.200 17.143 9.444 81 H GLY 628 H GLY 628 -26.612 14.881 8.407 82 HA3 GLY 628 HA2 GLY 628 -25.122 16.724 10.110 83 HA2 GLY 628 HA3 GLY 628 -24.434 15.382 9.191 84 H PHE 629 H PHE 629 -25.877 16.477 6.740 85 HA PHE 629 HA PHE 629 -23.834 18.554 6.040 86 HB2 PHE 629 HB2 PHE 629 -25.491 16.714 4.283 87 HB3 PHE 629 HB3 PHE 629 -24.339 17.914 3.691 88 HD1 PHE 629 HD1 PHE 629 -24.707 14.514 4.561 89 HD2 PHE 629 HD2 PHE 629 -21.937 17.797 4.890 90 HE1 PHE 629 HE1 PHE 629 -22.839 12.907 4.897 91 HE2 PHE 629 HE2 PHE 629 -20.071 16.191 5.222 92 HZ PHE 629 HZ PHE 629 -20.522 13.748 5.227 93 H THR 630 H THR 630 -24.538 20.557 5.196 94 HA THR 630 HA THR 630 -27.397 21.163 5.663 95 HB THR 630 HB THR 630 -25.558 23.302 4.681 96 HG1 THR 630 HG1 THR 630 -24.454 21.650 6.180 97 HG23 THR 630 HG21 THR 630 -27.804 23.790 5.580 98 HG22 THR 630 HG22 THR 630 -26.554 24.507 6.595 99 HG21 THR 630 HG23 THR 630 -27.361 23.027 7.109 100 H SER 631 H SER 631 -25.371 20.287 3.080 101 HA SER 631 HA SER 631 -26.460 21.848 0.948 102 HB2 SER 631 HB2 SER 631 -25.681 19.932 -0.497 103 HB3 SER 631 HB3 SER 631 -24.445 20.571 0.583 104 HG SER 631 HG SER 631 -25.592 18.104 0.491 105 H GLU 632 H GLU 632 -28.099 21.272 -0.603 106 HA GLU 632 HA GLU 632 -30.431 20.041 0.581 107 HB2 GLU 632 HB2 GLU 632 -29.874 21.683 -1.673 108 HB3 GLU 632 HB3 GLU 632 -30.568 20.209 -2.344 109 HG2 GLU 632 HG2 GLU 632 -32.520 20.430 -0.872 110 HG3 GLU 632 HG3 GLU 632 -31.817 21.864 -0.126 111 H ILE 633 H ILE 633 -31.060 17.917 0.490 112 HA ILE 633 HA ILE 633 -29.627 16.088 -1.410 113 HB ILE 633 HB ILE 633 -30.337 15.463 1.474 114 HG12 ILE 633 HG12 ILE 633 -27.591 15.846 0.221 115 HG13 ILE 633 HG13 ILE 633 -28.435 17.088 1.143 116 HG21 ILE 633 HG21 ILE 633 -29.986 13.710 -0.715 117 HG23 ILE 633 HG22 ILE 633 -29.884 13.273 0.985 118 HG22 ILE 633 HG23 ILE 633 -28.424 13.687 0.096 119 HD11 ILE 633 HD11 ILE 633 -27.968 14.338 2.296 120 HD13 ILE 633 HD12 ILE 633 -28.358 15.835 3.142 121 HD12 ILE 633 HD13 ILE 633 -26.761 15.615 2.432 122 H THR 634 H THR 634 -30.993 14.834 -2.565 123 HA THR 634 HA THR 634 -33.807 14.472 -1.585 124 HB THR 634 HB THR 634 -33.018 14.832 -4.484 125 HG1 THR 634 HG1 THR 634 -34.223 16.737 -2.774 126 HG21 THR 634 HG21 THR 634 -35.212 13.635 -3.675 127 HG23 THR 634 HG22 THR 634 -35.318 14.855 -4.936 128 HG22 THR 634 HG23 THR 634 -35.736 15.269 -3.271 129 H VAL 635 H VAL 635 -34.730 12.453 -2.081 130 HA VAL 635 HA VAL 635 -32.858 10.370 -3.166 131 HB VAL 635 HB VAL 635 -35.151 10.048 -1.186 132 HG13 VAL 635 HG11 VAL 635 -34.852 7.767 -1.295 133 HG12 VAL 635 HG12 VAL 635 -33.110 7.895 -1.539 134 HG11 VAL 635 HG13 VAL 635 -34.211 8.116 -2.895 135 HG22 VAL 635 HG21 VAL 635 -33.368 11.154 -0.053 136 HG21 VAL 635 HG22 VAL 635 -32.147 10.145 -0.832 137 HG23 VAL 635 HG23 VAL 635 -33.225 9.450 0.379 138 H THR 636 H THR 636 -33.774 9.115 -4.864 139 HA THR 636 HA THR 636 -36.613 9.756 -5.581 140 HB THR 636 HB THR 636 -34.289 9.539 -7.513 141 HG1 THR 636 HG1 THR 636 -35.567 11.652 -6.235 142 HG21 THR 636 HG21 THR 636 -37.095 9.186 -7.933 143 HG23 THR 636 HG22 THR 636 -35.843 9.340 -9.164 144 HG22 THR 636 HG23 THR 636 -36.677 10.775 -8.571 145 H SER 637 H SER 637 -37.784 7.905 -5.682 146 HA SER 637 HA SER 637 -36.451 5.416 -6.657 147 HB2 SER 637 HB2 SER 637 -37.122 4.152 -4.819 148 HB3 SER 637 HB3 SER 637 -36.724 5.682 -4.043 149 HG SER 637 HG SER 637 -38.732 5.765 -3.447 150 H ASN 638 H ASN 638 -37.613 4.620 -8.279 151 HA ASN 638 HA ASN 638 -39.404 4.401 -9.816 152 HB2 ASN 638 HB2 ASN 638 -40.243 3.361 -7.139 153 HB3 ASN 638 HB3 ASN 638 -41.466 3.411 -8.410 154 HD21 ASN 638 HD21 ASN 638 -41.402 0.994 -8.406 155 HD22 ASN 638 HD22 ASN 638 -40.150 0.184 -9.212 156 H GLY 639 H GLY 639 -39.434 6.991 -9.844 157 HA3 GLY 639 HA2 GLY 639 -40.872 8.766 -10.282 158 HA2 GLY 639 HA3 GLY 639 -42.210 7.669 -10.001 159 H LYS 640 H LYS 640 -40.683 7.414 -7.141 160 HA LYS 640 HA LYS 640 -42.148 9.793 -6.002 161 HB2 LYS 640 HB2 LYS 640 -41.577 7.056 -4.848 162 HB3 LYS 640 HB3 LYS 640 -42.135 8.411 -3.872 163 HG2 LYS 640 HG2 LYS 640 -44.141 8.621 -5.292 164 HG3 LYS 640 HG3 LYS 640 -43.588 7.261 -6.271 165 HD2 LYS 640 HD2 LYS 640 -43.905 5.710 -4.522 166 HD3 LYS 640 HD3 LYS 640 -43.914 6.962 -3.283 167 HE2 LYS 640 HE2 LYS 640 -46.191 6.136 -3.637 168 HE3 LYS 640 HE3 LYS 640 -46.074 7.806 -4.185 169 HZ1 LYS 640 HZ1 LYS 640 -45.552 5.673 -6.121 170 HZ3 LYS 640 HZ2 LYS 640 -46.245 7.207 -6.356 171 HZ2 LYS 640 HZ3 LYS 640 -47.161 5.957 -5.662 172 H SER 641 H SER 641 -40.847 11.364 -5.150 173 HA SER 641 HA SER 641 -38.140 10.557 -4.158 174 HB2 SER 641 HB2 SER 641 -38.176 13.345 -4.861 175 HB3 SER 641 HB3 SER 641 -37.243 12.058 -5.617 176 HG SER 641 HG SER 641 -39.458 13.341 -6.487 177 H ALA 642 H ALA 642 -37.426 11.441 -2.245 178 HA ALA 642 HA ALA 642 -39.285 13.294 -0.799 179 HB1 ALA 642 HB1 ALA 642 -39.470 10.649 -0.310 180 HB3 ALA 642 HB2 ALA 642 -39.695 11.849 0.954 181 HB2 ALA 642 HB3 ALA 642 -38.150 11.026 0.795 182 H SER 643 H SER 643 -38.272 14.189 1.193 183 HA SER 643 HA SER 643 -35.468 14.912 0.646 184 HB2 SER 643 HB2 SER 643 -37.731 16.168 1.846 185 HB3 SER 643 HB3 SER 643 -36.493 16.071 3.090 186 HG SER 643 HG SER 643 -36.021 16.982 0.441 187 H ALA 644 H ALA 644 -33.720 14.067 1.773 188 HA ALA 644 HA ALA 644 -34.127 11.879 3.586 189 HB2 ALA 644 HB1 ALA 644 -32.146 11.967 2.157 190 HB3 ALA 644 HB2 ALA 644 -31.652 11.971 3.851 191 HB1 ALA 644 HB3 ALA 644 -31.638 13.472 2.925 192 H LYS 645 H LYS 645 -34.033 15.268 4.018 193 HA LYS 645 HA LYS 645 -33.264 15.050 6.888 194 HB2 LYS 645 HB2 LYS 645 -33.363 17.452 6.958 195 HB3 LYS 645 HB3 LYS 645 -32.487 17.028 5.489 196 HG2 LYS 645 HG2 LYS 645 -34.876 17.124 4.380 197 HG3 LYS 645 HG3 LYS 645 -35.292 18.098 5.788 198 HD2 LYS 645 HD2 LYS 645 -32.974 18.685 3.914 199 HD3 LYS 645 HD3 LYS 645 -34.552 19.449 3.808 200 HE2 LYS 645 HE2 LYS 645 -32.893 19.546 6.336 201 HE3 LYS 645 HE3 LYS 645 -32.754 20.753 5.069 202 HZ2 LYS 645 HZ1 LYS 645 -34.459 21.001 7.046 203 HZ1 LYS 645 HZ2 LYS 645 -35.441 20.099 5.996 204 HZ3 LYS 645 HZ3 LYS 645 -34.796 21.587 5.490 205 H SER 646 H SER 646 -35.620 13.919 5.472 206 HA SER 646 HA SER 646 -37.662 14.819 7.461 207 HB2 SER 646 HB2 SER 646 -38.034 14.870 4.469 208 HB3 SER 646 HB3 SER 646 -39.404 14.816 5.581 209 HG SER 646 HG SER 646 -38.908 16.954 5.137 210 H LEU 647 H LEU 647 -37.488 12.835 8.472 211 HA LEU 647 HA LEU 647 -37.625 10.300 7.249 212 HB2 LEU 647 HB2 LEU 647 -36.983 10.728 9.617 213 HB3 LEU 647 HB3 LEU 647 -38.658 11.135 9.940 214 HG LEU 647 HG LEU 647 -39.379 8.869 9.371 215 HD13 LEU 647 HD11 LEU 647 -37.817 8.125 7.724 216 HD12 LEU 647 HD12 LEU 647 -37.475 7.138 9.141 217 HD11 LEU 647 HD13 LEU 647 -36.435 8.511 8.757 218 HD21 LEU 647 HD21 LEU 647 -38.300 9.628 11.689 219 HD23 LEU 647 HD22 LEU 647 -37.047 8.476 11.246 220 HD22 LEU 647 HD23 LEU 647 -38.721 7.938 11.414 221 H PHE 648 H PHE 648 -40.131 12.542 8.283 222 HA PHE 648 HA PHE 648 -42.397 10.874 8.126 223 HB2 PHE 648 HB2 PHE 648 -42.138 13.776 7.288 224 HB3 PHE 648 HB3 PHE 648 -43.665 12.937 7.543 225 HD1 PHE 648 HD1 PHE 648 -41.324 15.059 9.060 226 HD2 PHE 648 HD2 PHE 648 -43.787 11.627 9.919 227 HE1 PHE 648 HE1 PHE 648 -41.251 15.614 11.472 228 HE2 PHE 648 HE2 PHE 648 -43.712 12.202 12.344 229 HZ PHE 648 HZ PHE 648 -42.450 14.182 13.118 230 H LYS 649 H LYS 649 -40.984 12.891 5.489 231 HA LYS 649 HA LYS 649 -42.820 11.826 3.546 232 HB2 LYS 649 HB2 LYS 649 -40.149 13.193 3.074 233 HB3 LYS 649 HB3 LYS 649 -41.446 12.986 1.893 234 HG2 LYS 649 HG2 LYS 649 -42.945 14.205 3.642 235 HG3 LYS 649 HG3 LYS 649 -41.419 14.717 4.364 236 HD2 LYS 649 HD2 LYS 649 -42.067 15.153 1.432 237 HD3 LYS 649 HD3 LYS 649 -42.463 16.328 2.680 238 HE2 LYS 649 HE2 LYS 649 -39.684 15.485 2.944 239 HE3 LYS 649 HE3 LYS 649 -40.003 16.106 1.327 240 HZ1 LYS 649 HZ1 LYS 649 -41.333 17.829 2.962 241 HZ3 LYS 649 HZ2 LYS 649 -39.822 18.108 2.240 242 HZ2 LYS 649 HZ3 LYS 649 -39.909 17.506 3.825 243 H LEU 650 H LEU 650 -39.460 10.957 4.428 244 HA LEU 650 HA LEU 650 -38.953 9.160 2.341 245 HB2 LEU 650 HB2 LEU 650 -38.188 8.886 5.263 246 HB3 LEU 650 HB3 LEU 650 -37.638 7.756 4.031 247 HG LEU 650 HG LEU 650 -37.180 10.735 3.767 248 HD11 LEU 650 HD11 LEU 650 -35.721 8.724 5.453 249 HD13 LEU 650 HD12 LEU 650 -35.946 10.452 5.707 250 HD12 LEU 650 HD13 LEU 650 -34.745 9.890 4.560 251 HD22 LEU 650 HD21 LEU 650 -35.800 10.188 1.980 252 HD21 LEU 650 HD22 LEU 650 -36.860 8.787 1.889 253 HD23 LEU 650 HD23 LEU 650 -35.305 8.648 2.684 254 H GLN 651 H GLN 651 -40.566 8.309 5.434 255 HA GLN 651 HA GLN 651 -41.168 5.676 5.036 256 HB2 GLN 651 HB2 GLN 651 -42.625 7.932 6.317 257 HB3 GLN 651 HB3 GLN 651 -43.621 6.526 5.962 258 HG2 GLN 651 HG2 GLN 651 -42.764 6.254 8.183 259 HG3 GLN 651 HG3 GLN 651 -41.911 5.114 7.149 260 HE21 GLN 651 HE21 GLN 651 -40.867 6.183 9.665 261 HE22 GLN 651 HE22 GLN 651 -39.467 7.066 9.289 262 H THR 652 H THR 652 -42.293 8.239 2.957 263 HA THR 652 HA THR 652 -44.526 6.636 1.928 264 HB THR 652 HB THR 652 -44.899 8.505 0.409 265 HG1 THR 652 HG1 THR 652 -43.421 10.064 0.139 266 HG23 THR 652 HG21 THR 652 -45.752 8.790 2.644 267 HG22 THR 652 HG22 THR 652 -45.074 10.333 2.121 268 HG21 THR 652 HG23 THR 652 -44.169 9.302 3.235 269 H LEU 653 H LEU 653 -41.172 6.671 1.393 270 HA LEU 653 HA LEU 653 -41.443 5.761 -1.435 271 HB2 LEU 653 HB2 LEU 653 -38.902 5.922 0.207 272 HB3 LEU 653 HB3 LEU 653 -39.049 5.802 -1.545 273 HG LEU 653 HG LEU 653 -39.884 8.133 0.181 274 HD12 LEU 653 HD11 LEU 653 -37.998 8.691 -2.001 275 HD11 LEU 653 HD12 LEU 653 -37.360 7.451 -0.929 276 HD13 LEU 653 HD13 LEU 653 -37.824 9.013 -0.279 277 HD22 LEU 653 HD21 LEU 653 -41.484 8.093 -1.543 278 HD21 LEU 653 HD22 LEU 653 -40.321 7.511 -2.737 279 HD23 LEU 653 HD23 LEU 653 -40.247 9.180 -2.172 280 H GLY 654 H GLY 654 -41.856 3.620 -1.718 281 HA3 GLY 654 HA2 GLY 654 -41.403 1.689 0.417 282 HA2 GLY 654 HA3 GLY 654 -41.951 1.304 -1.216 283 H LEU 655 H LEU 655 -39.127 1.736 0.831 284 HA LEU 655 HA LEU 655 -37.318 1.026 -1.440 285 HB2 LEU 655 HB2 LEU 655 -36.563 1.821 1.386 286 HB3 LEU 655 HB3 LEU 655 -35.516 1.766 -0.029 287 HG LEU 655 HG LEU 655 -37.837 3.660 0.434 288 HD11 LEU 655 HD11 LEU 655 -35.635 4.131 1.577 289 HD13 LEU 655 HD12 LEU 655 -36.154 5.385 0.450 290 HD12 LEU 655 HD13 LEU 655 -34.901 4.238 -0.025 291 HD21 LEU 655 HD21 LEU 655 -36.194 3.044 -2.023 292 HD23 LEU 655 HD22 LEU 655 -36.897 4.645 -1.790 293 HD22 LEU 655 HD23 LEU 655 -37.940 3.229 -1.881 294 H THR 656 H THR 656 -37.769 -1.232 -1.607 295 HA THR 656 HA THR 656 -37.485 -2.901 0.824 296 HB THR 656 HB THR 656 -38.234 -4.734 -0.649 297 HG1 THR 656 HG1 THR 656 -38.913 -3.233 -2.766 298 HG23 THR 656 HG21 THR 656 -40.212 -3.855 0.120 299 HG22 THR 656 HG22 THR 656 -40.379 -3.271 -1.534 300 HG21 THR 656 HG23 THR 656 -39.751 -2.200 -0.286 301 H GLN 657 H GLN 657 -36.296 -5.112 0.277 302 HA GLN 657 HA GLN 657 -33.505 -4.489 -0.065 303 HB2 GLN 657 HB2 GLN 657 -34.087 -6.329 1.364 304 HB3 GLN 657 HB3 GLN 657 -35.011 -7.111 0.083 305 HG2 GLN 657 HG2 GLN 657 -32.560 -6.872 -1.117 306 HG3 GLN 657 HG3 GLN 657 -32.092 -7.099 0.565 307 HE21 GLN 657 HE21 GLN 657 -33.682 -8.641 -2.190 308 HE22 GLN 657 HE22 GLN 657 -33.746 -10.191 -1.503 309 H GLY 658 H GLY 658 -32.613 -4.011 -2.010 310 HA3 GLY 658 HA2 GLY 658 -31.807 -4.814 -4.168 311 HA2 GLY 658 HA3 GLY 658 -33.285 -5.763 -4.328 312 H THR 659 H THR 659 -33.965 -2.706 -3.083 313 HA THR 659 HA THR 659 -35.187 -1.902 -5.638 314 HB THR 659 HB THR 659 -35.201 -0.413 -3.004 315 HG1 THR 659 HG1 THR 659 -37.468 -1.661 -3.434 316 HG21 THR 659 HG21 THR 659 -35.923 0.869 -5.003 317 HG23 THR 659 HG22 THR 659 -37.261 0.577 -3.896 318 HG22 THR 659 HG23 THR 659 -37.107 -0.392 -5.359 319 H VAL 660 H VAL 660 -33.792 -0.976 -7.064 320 HA VAL 660 HA VAL 660 -31.490 0.559 -6.202 321 HB VAL 660 HB VAL 660 -32.725 0.492 -8.969 322 HG12 VAL 660 HG11 VAL 660 -30.295 0.943 -9.605 323 HG11 VAL 660 HG12 VAL 660 -30.005 1.281 -7.898 324 HG13 VAL 660 HG13 VAL 660 -31.142 2.272 -8.813 325 HG23 VAL 660 HG21 VAL 660 -30.346 -1.198 -8.556 326 HG22 VAL 660 HG22 VAL 660 -31.891 -1.618 -9.281 327 HG21 VAL 660 HG23 VAL 660 -31.692 -1.711 -7.535 328 H VAL 661 H VAL 661 -31.611 2.497 -5.384 329 HA VAL 661 HA VAL 661 -33.772 4.371 -6.279 330 HB VAL 661 HB VAL 661 -33.469 5.448 -4.128 331 HG13 VAL 661 HG11 VAL 661 -34.913 3.479 -4.101 332 HG12 VAL 661 HG12 VAL 661 -34.004 3.564 -2.591 333 HG11 VAL 661 HG13 VAL 661 -33.515 2.433 -3.852 334 HG21 VAL 661 HG21 VAL 661 -31.099 3.587 -3.902 335 HG23 VAL 661 HG22 VAL 661 -31.803 4.372 -2.488 336 HG22 VAL 661 HG23 VAL 661 -31.111 5.348 -3.786 337 H THR 662 H THR 662 -32.861 6.763 -5.940 338 HA THR 662 HA THR 662 -30.020 6.903 -6.830 339 HB THR 662 HB THR 662 -32.219 8.598 -8.037 340 HG1 THR 662 HG1 THR 662 -32.359 7.143 -9.526 341 HG21 THR 662 HG21 THR 662 -29.436 9.062 -7.803 342 HG23 THR 662 HG22 THR 662 -30.532 9.870 -8.919 343 HG22 THR 662 HG23 THR 662 -29.650 8.430 -9.435 344 H ILE 663 H ILE 663 -28.899 8.336 -5.616 345 HA ILE 663 HA ILE 663 -30.493 10.145 -3.836 346 HB ILE 663 HB ILE 663 -27.588 9.255 -3.690 347 HG12 ILE 663 HG12 ILE 663 -29.837 8.434 -1.837 348 HG13 ILE 663 HG13 ILE 663 -29.463 7.510 -3.288 349 HG23 ILE 663 HG21 ILE 663 -27.521 10.360 -1.556 350 HG22 ILE 663 HG22 ILE 663 -29.259 10.645 -1.575 351 HG21 ILE 663 HG23 ILE 663 -28.211 11.519 -2.680 352 HD12 ILE 663 HD11 ILE 663 -27.530 8.128 -1.033 353 HD11 ILE 663 HD12 ILE 663 -27.131 7.248 -2.506 354 HD13 ILE 663 HD13 ILE 663 -28.281 6.572 -1.357 355 H SER 664 H SER 664 -30.590 12.185 -4.615 356 HA SER 664 HA SER 664 -28.298 13.213 -6.274 357 HB2 SER 664 HB2 SER 664 -30.207 14.808 -7.143 358 HB3 SER 664 HB3 SER 664 -30.070 13.176 -7.791 359 HG SER 664 HG SER 664 -31.638 12.529 -6.244 360 H ALA 665 H ALA 665 -27.325 15.053 -5.474 361 HA ALA 665 HA ALA 665 -28.841 16.759 -3.551 362 HB1 ALA 665 HB1 ALA 665 -26.089 15.633 -2.970 363 HB3 ALA 665 HB2 ALA 665 -27.582 15.047 -2.235 364 HB2 ALA 665 HB3 ALA 665 -27.032 16.693 -1.927 365 H GLU 666 H GLU 666 -27.994 18.889 -3.392 366 HA GLU 666 HA GLU 666 -25.674 19.610 -5.105 367 HB2 GLU 666 HB2 GLU 666 -27.671 19.817 -6.570 368 HB3 GLU 666 HB3 GLU 666 -28.418 20.884 -5.382 369 HG2 GLU 666 HG2 GLU 666 -26.587 22.502 -5.654 370 HG3 GLU 666 HG3 GLU 666 -25.798 21.430 -6.808 371 H GLY 667 H GLY 667 -24.426 20.993 -3.886 372 HA3 GLY 667 HA2 GLY 667 -25.135 23.341 -2.664 373 HA2 GLY 667 HA3 GLY 667 -25.544 22.141 -1.441 374 H GLU 668 H GLU 668 -23.944 23.208 -0.185 375 HA GLU 668 HA GLU 668 -21.186 23.461 -0.825 376 HB2 GLU 668 HB2 GLU 668 -22.133 24.566 1.124 377 HB3 GLU 668 HB3 GLU 668 -22.420 23.011 1.905 378 HG2 GLU 668 HG2 GLU 668 -20.030 22.556 2.003 379 HG3 GLU 668 HG3 GLU 668 -19.683 23.996 1.042 380 H ASP 669 H ASP 669 -22.700 20.716 0.993 381 HA ASP 669 HA ASP 669 -20.133 19.224 0.588 382 HB2 ASP 669 HB2 ASP 669 -22.431 18.858 2.520 383 HB3 ASP 669 HB3 ASP 669 -21.106 17.702 2.356 384 H GLU 670 H GLU 670 -22.820 19.508 -1.140 385 HA GLU 670 HA GLU 670 -24.190 17.175 -1.467 386 HB2 GLU 670 HB2 GLU 670 -24.374 17.665 -3.840 387 HB3 GLU 670 HB3 GLU 670 -24.385 19.173 -2.934 388 HG2 GLU 670 HG2 GLU 670 -21.884 19.323 -3.341 389 HG3 GLU 670 HG3 GLU 670 -22.062 17.965 -4.452 390 H GLN 671 H GLN 671 -20.781 17.589 -2.435 391 HA GLN 671 HA GLN 671 -20.641 15.109 -3.901 392 HB2 GLN 671 HB2 GLN 671 -18.431 16.640 -2.504 393 HB3 GLN 671 HB3 GLN 671 -18.197 15.369 -3.703 394 HG2 GLN 671 HG2 GLN 671 -19.359 16.712 -5.390 395 HG3 GLN 671 HG3 GLN 671 -19.672 17.969 -4.197 396 HE21 GLN 671 HE21 GLN 671 -18.348 19.236 -5.965 397 HE22 GLN 671 HE22 GLN 671 -16.661 19.259 -5.761 398 H LYS 672 H LYS 672 -19.855 15.931 -0.521 399 HA LYS 672 HA LYS 672 -18.897 13.290 0.132 400 HB2 LYS 672 HB2 LYS 672 -20.003 15.527 1.855 401 HB3 LYS 672 HB3 LYS 672 -19.281 14.051 2.503 402 HG2 LYS 672 HG2 LYS 672 -17.162 14.541 1.432 403 HG3 LYS 672 HG3 LYS 672 -17.862 15.927 0.593 404 HD2 LYS 672 HD2 LYS 672 -18.344 16.973 2.820 405 HD3 LYS 672 HD3 LYS 672 -17.506 15.627 3.592 406 HE2 LYS 672 HE2 LYS 672 -16.141 17.252 1.446 407 HE3 LYS 672 HE3 LYS 672 -16.168 17.810 3.117 408 HZ1 LYS 672 HZ1 LYS 672 -15.492 15.148 3.244 409 HZ3 LYS 672 HZ2 LYS 672 -14.458 16.475 3.472 410 HZ2 LYS 672 HZ3 LYS 672 -14.595 15.758 1.938 411 H ALA 673 H ALA 673 -21.978 14.945 0.795 412 HA ALA 673 HA ALA 673 -23.396 12.958 2.055 413 HB1 ALA 673 HB1 ALA 673 -24.250 15.040 0.057 414 HB3 ALA 673 HB2 ALA 673 -24.483 15.021 1.804 415 HB2 ALA 673 HB3 ALA 673 -25.429 13.945 0.778 416 H VAL 674 H VAL 674 -22.752 13.083 -1.468 417 HA VAL 674 HA VAL 674 -24.495 10.750 -1.903 418 HB VAL 674 HB VAL 674 -22.526 12.066 -3.804 419 HG11 VAL 674 HG11 VAL 674 -24.392 9.708 -4.030 420 HG13 VAL 674 HG12 VAL 674 -22.789 9.931 -4.722 421 HG12 VAL 674 HG13 VAL 674 -24.177 10.740 -5.442 422 HG23 VAL 674 HG21 VAL 674 -24.595 12.974 -4.841 423 HG22 VAL 674 HG22 VAL 674 -24.407 13.528 -3.177 424 HG21 VAL 674 HG23 VAL 674 -25.551 12.237 -3.554 425 H GLU 675 H GLU 675 -21.006 11.366 -1.601 426 HA GLU 675 HA GLU 675 -20.262 8.676 -2.308 427 HB2 GLU 675 HB2 GLU 675 -18.785 10.829 -0.776 428 HB3 GLU 675 HB3 GLU 675 -18.075 9.261 -1.153 429 HG2 GLU 675 HG2 GLU 675 -18.785 9.824 -3.624 430 HG3 GLU 675 HG3 GLU 675 -18.866 11.482 -3.033 431 H HIS 676 H HIS 676 -21.028 10.201 0.845 432 HA HIS 676 HA HIS 676 -20.301 7.743 2.268 433 HB2 HIS 676 HB2 HIS 676 -21.710 10.268 3.196 434 HB3 HIS 676 HB3 HIS 676 -21.174 8.958 4.248 435 HD1 HIS 676 HD1 HIS 676 -18.747 9.244 1.636 436 HD2 HIS 676 HD2 HIS 676 -19.486 11.350 5.157 437 HE1 HIS 676 HE1 HIS 676 -16.615 10.498 2.181 438 HE2 HIS 676 HE2 HIS 676 -17.049 11.788 4.326 439 H LEU 677 H LEU 677 -23.364 9.466 1.492 440 HA LEU 677 HA LEU 677 -25.077 7.576 2.770 441 HB2 LEU 677 HB2 LEU 677 -25.585 9.302 0.333 442 HB3 LEU 677 HB3 LEU 677 -26.832 8.383 1.160 443 HG LEU 677 HG LEU 677 -25.112 10.495 2.502 444 HD13 LEU 677 HD11 LEU 677 -26.505 11.581 0.848 445 HD12 LEU 677 HD12 LEU 677 -27.241 11.852 2.427 446 HD11 LEU 677 HD13 LEU 677 -27.909 10.633 1.337 447 HD23 LEU 677 HD21 LEU 677 -27.174 10.339 4.126 448 HD22 LEU 677 HD22 LEU 677 -25.930 9.093 4.222 449 HD21 LEU 677 HD23 LEU 677 -27.437 8.771 3.372 450 H VAL 678 H VAL 678 -23.639 7.607 -0.464 451 HA VAL 678 HA VAL 678 -25.104 5.366 -1.476 452 HB VAL 678 HB VAL 678 -23.674 6.954 -2.844 453 HG11 VAL 678 HG11 VAL 678 -21.710 6.607 -1.144 454 HG13 VAL 678 HG12 VAL 678 -21.336 6.773 -2.860 455 HG12 VAL 678 HG13 VAL 678 -21.354 5.176 -2.111 456 HG21 VAL 678 HG21 VAL 678 -23.355 3.948 -3.072 457 HG23 VAL 678 HG22 VAL 678 -22.766 5.057 -4.309 458 HG22 VAL 678 HG23 VAL 678 -24.489 4.984 -3.942 459 H LYS 679 H LYS 679 -21.990 5.553 0.296 460 HA LYS 679 HA LYS 679 -21.636 2.673 0.244 461 HB2 LYS 679 HB2 LYS 679 -20.379 4.966 1.729 462 HB3 LYS 679 HB3 LYS 679 -20.123 3.324 2.319 463 HG2 LYS 679 HG2 LYS 679 -19.760 3.857 -0.598 464 HG3 LYS 679 HG3 LYS 679 -18.491 4.367 0.516 465 HD2 LYS 679 HD2 LYS 679 -18.319 2.090 1.408 466 HD3 LYS 679 HD3 LYS 679 -19.637 1.566 0.355 467 HE2 LYS 679 HE2 LYS 679 -17.122 2.846 -0.718 468 HE3 LYS 679 HE3 LYS 679 -17.268 1.104 -0.494 469 HZ2 LYS 679 HZ1 LYS 679 -17.950 2.305 -2.735 470 HZ1 LYS 679 HZ2 LYS 679 -19.431 2.437 -1.914 471 HZ3 LYS 679 HZ3 LYS 679 -18.736 0.912 -2.179 472 H LEU 680 H LEU 680 -22.585 4.934 2.864 473 HA LEU 680 HA LEU 680 -23.341 3.070 4.778 474 HB2 LEU 680 HB2 LEU 680 -24.553 5.775 4.118 475 HB3 LEU 680 HB3 LEU 680 -24.902 4.885 5.592 476 HG LEU 680 HG LEU 680 -22.071 5.580 4.784 477 HD13 LEU 680 HD11 LEU 680 -22.213 7.528 6.325 478 HD12 LEU 680 HD12 LEU 680 -23.924 7.201 6.580 479 HD11 LEU 680 HD13 LEU 680 -23.355 7.712 4.993 480 HD22 LEU 680 HD21 LEU 680 -22.056 3.914 6.437 481 HD21 LEU 680 HD22 LEU 680 -23.468 4.577 7.257 482 HD23 LEU 680 HD23 LEU 680 -21.912 5.396 7.380 483 H MET 681 H MET 681 -25.124 4.083 1.911 484 HA MET 681 HA MET 681 -27.571 2.693 2.732 485 HB2 MET 681 HB2 MET 681 -27.562 4.595 1.037 486 HB3 MET 681 HB3 MET 681 -26.833 3.455 -0.098 487 HG2 MET 681 HG2 MET 681 -29.152 3.266 -0.537 488 HG3 MET 681 HG3 MET 681 -28.808 1.889 0.502 489 HE3 MET 681 HE1 MET 681 -31.524 5.418 1.183 490 HE2 MET 681 HE2 MET 681 -31.650 4.167 -0.049 491 HE1 MET 681 HE3 MET 681 -30.263 5.256 -0.046 492 H ALA 682 H ALA 682 -24.737 2.007 0.758 493 HA ALA 682 HA ALA 682 -25.701 -0.669 0.063 494 HB1 ALA 682 HB1 ALA 682 -22.879 -0.402 -0.355 495 HB2 ALA 682 HB2 ALA 682 -23.669 1.083 -0.887 496 HB3 ALA 682 HB3 ALA 682 -24.164 -0.470 -1.560 497 H GLU 683 H GLU 683 -24.390 0.663 2.872 498 HA GLU 683 HA GLU 683 -23.082 -1.927 3.608 499 HB2 GLU 683 HB2 GLU 683 -21.862 0.386 3.750 500 HB3 GLU 683 HB3 GLU 683 -22.783 0.568 5.243 501 HG2 GLU 683 HG2 GLU 683 -21.704 -2.076 5.228 502 HG3 GLU 683 HG3 GLU 683 -20.399 -0.975 4.799 503 H LEU 684 H LEU 684 -26.016 -0.374 4.077 504 HA LEU 684 HA LEU 684 -26.278 -1.104 6.909 505 HB2 LEU 684 HB2 LEU 684 -28.235 -0.014 4.876 506 HB3 LEU 684 HB3 LEU 684 -28.728 -0.487 6.501 507 HG LEU 684 HG LEU 684 -26.458 1.447 6.007 508 HD13 LEU 684 HD11 LEU 684 -28.203 2.676 5.084 509 HD12 LEU 684 HD12 LEU 684 -28.359 3.108 6.786 510 HD11 LEU 684 HD13 LEU 684 -29.423 1.890 6.085 511 HD22 LEU 684 HD21 LEU 684 -26.528 1.835 8.288 512 HD21 LEU 684 HD22 LEU 684 -27.010 0.139 8.254 513 HD23 LEU 684 HD23 LEU 684 -28.232 1.400 8.416 514 H GLU 685 H GLU 685 -26.986 -3.014 7.655 515 HA GLU 685 HA GLU 685 -27.931 -5.030 5.680 516 HB2 GLU 685 HB2 GLU 685 -26.598 -5.327 8.382 517 HB3 GLU 685 HB3 GLU 685 -27.337 -6.682 7.530 518 HG2 GLU 685 HG2 GLU 685 -25.865 -6.273 5.587 519 HG3 GLU 685 HG3 GLU 685 -25.133 -4.908 6.421 No H/Q in entry = 519 In of MODEL 1 1 H1 MET 601 H3 MET 601 11.343 16.029 -37.958 2 H2 MET 601 H2 MET 601 12.183 17.038 -39.035 3 H3 MET 601 H1 MET 601 10.668 16.405 -39.467 4 HA MET 601 HA MET 601 12.262 15.140 -40.631 5 HB2 MET 601 HB2 MET 601 14.135 15.868 -39.070 6 HB3 MET 601 HB3 MET 601 13.598 14.615 -37.954 7 HG2 MET 601 HG2 MET 601 14.399 12.896 -39.283 8 HG3 MET 601 HG3 MET 601 14.078 13.755 -40.786 9 HE1 MET 601 HE1 MET 601 16.628 12.081 -39.346 10 HE3 MET 601 HE2 MET 601 16.593 13.076 -37.894 11 HE2 MET 601 HE3 MET 601 18.010 13.109 -38.939 12 H PHE 602 H PHE 602 12.376 12.693 -40.571 13 HA PHE 602 HA PHE 602 10.654 11.390 -38.551 14 HB2 PHE 602 HB2 PHE 602 9.132 12.374 -40.360 15 HB3 PHE 602 HB3 PHE 602 9.865 11.215 -41.469 16 HD1 PHE 602 HD1 PHE 602 7.706 11.637 -38.508 17 HD2 PHE 602 HD2 PHE 602 9.486 8.814 -41.222 18 HE1 PHE 602 HE1 PHE 602 6.182 9.860 -37.662 19 HE2 PHE 602 HE2 PHE 602 7.967 7.036 -40.376 20 HZ PHE 602 HZ PHE 602 6.315 7.562 -38.592 21 H GLN 603 H GLN 603 10.900 9.075 -38.572 22 HA GLN 603 HA GLN 603 12.724 7.925 -40.610 23 HB2 GLN 603 HB2 GLN 603 14.254 7.065 -38.838 24 HB3 GLN 603 HB3 GLN 603 14.252 8.826 -38.936 25 HG2 GLN 603 HG2 GLN 603 12.597 8.903 -37.076 26 HG3 GLN 603 HG3 GLN 603 12.702 7.146 -36.943 27 HE21 GLN 603 HE21 GLN 603 13.597 7.403 -34.728 28 HE22 GLN 603 HE22 GLN 603 15.215 7.871 -34.514 29 H GLN 604 H GLN 604 12.882 5.569 -40.451 30 HA GLN 604 HA GLN 604 10.986 4.176 -38.683 31 HB2 GLN 604 HB2 GLN 604 9.586 4.931 -40.586 32 HB3 GLN 604 HB3 GLN 604 10.660 4.081 -41.691 33 HG2 GLN 604 HG2 GLN 604 9.610 2.097 -41.298 34 HG3 GLN 604 HG3 GLN 604 9.826 2.267 -39.560 35 HE21 GLN 604 HE21 GLN 604 7.645 1.479 -39.117 36 HE22 GLN 604 HE22 GLN 604 6.281 2.425 -39.456 37 H GLU 605 H GLU 605 11.426 1.890 -38.612 38 HA GLU 605 HA GLU 605 14.002 1.083 -39.862 39 HB2 GLU 605 HB2 GLU 605 12.579 -0.019 -37.427 40 HB3 GLU 605 HB3 GLU 605 14.115 -0.604 -38.065 41 HG2 GLU 605 HG2 GLU 605 15.228 1.433 -37.545 42 HG3 GLU 605 HG3 GLU 605 13.702 2.279 -37.254 43 H VAL 606 H VAL 606 13.964 -0.554 -41.331 44 HA VAL 606 HA VAL 606 11.538 -2.351 -41.365 45 HB VAL 606 HB VAL 606 11.159 -0.742 -43.077 46 HG11 VAL 606 HG11 VAL 606 13.957 -1.366 -44.064 47 HG13 VAL 606 HG12 VAL 606 13.453 0.124 -43.278 48 HG12 VAL 606 HG13 VAL 606 12.808 -0.292 -44.862 49 HG22 VAL 606 HG21 VAL 606 10.986 -2.143 -45.013 50 HG21 VAL 606 HG22 VAL 606 10.818 -3.205 -43.616 51 HG23 VAL 606 HG23 VAL 606 12.345 -3.138 -44.496 52 H THR 607 H THR 607 12.035 -4.369 -41.166 53 HA THR 607 HA THR 607 14.720 -5.413 -41.483 54 HB THR 607 HB THR 607 12.134 -6.938 -41.083 55 HG1 THR 607 HG1 THR 607 12.305 -6.455 -39.028 56 HG23 THR 607 HG21 THR 607 13.799 -8.512 -41.636 57 HG22 THR 607 HG22 THR 607 13.833 -8.483 -39.875 58 HG21 THR 607 HG23 THR 607 15.058 -7.614 -40.795 59 H ILE 608 H ILE 608 15.469 -5.510 -43.503 60 HA ILE 608 HA ILE 608 14.081 -5.886 -45.896 61 HB ILE 608 HB ILE 608 16.910 -6.700 -45.197 62 HG12 ILE 608 HG12 ILE 608 15.816 -4.293 -46.690 63 HG13 ILE 608 HG13 ILE 608 16.146 -4.291 -44.960 64 HG23 ILE 608 HG21 ILE 608 16.284 -7.937 -47.227 65 HG22 ILE 608 HG22 ILE 608 17.267 -6.564 -47.735 66 HG21 ILE 608 HG23 ILE 608 15.524 -6.512 -47.927 67 HD13 ILE 608 HD11 ILE 608 18.420 -4.258 -45.251 68 HD12 ILE 608 HD12 ILE 608 17.993 -3.533 -46.802 69 HD11 ILE 608 HD13 ILE 608 18.354 -5.254 -46.699 70 H THR 609 H THR 609 12.910 -7.444 -46.661 71 HA THR 609 HA THR 609 13.271 -10.225 -45.648 72 HB THR 609 HB THR 609 10.880 -10.484 -46.574 73 HG1 THR 609 HG1 THR 609 9.850 -8.685 -47.129 74 HG23 THR 609 HG21 THR 609 9.931 -9.678 -44.531 75 HG22 THR 609 HG22 THR 609 11.202 -8.471 -44.341 76 HG21 THR 609 HG23 THR 609 11.575 -10.183 -44.140 77 H ALA 610 H ALA 610 14.604 -8.764 -48.019 78 HA ALA 610 HA ALA 610 13.578 -10.178 -50.355 79 HB1 ALA 610 HB1 ALA 610 16.335 -9.306 -50.634 80 HB2 ALA 610 HB2 ALA 610 15.346 -8.026 -49.931 81 HB3 ALA 610 HB3 ALA 610 14.898 -8.734 -51.483 No H/Q in entry = 81 In of MODEL 1 1 HA PRO 611 HA PRO 611 15.541 -14.006 -48.906 2 HB2 PRO 611 HB2 PRO 611 15.171 -14.887 -51.721 3 HB3 PRO 611 HB3 PRO 611 14.650 -15.665 -50.215 4 HG2 PRO 611 HG2 PRO 611 12.927 -14.423 -51.852 5 HG3 PRO 611 HG3 PRO 611 12.717 -14.445 -50.094 6 HD2 PRO 611 HD2 PRO 611 13.609 -12.207 -51.854 7 HD3 PRO 611 HD3 PRO 611 12.717 -12.150 -50.317 8 H ASN 612 H ASN 612 16.639 -11.954 -51.443 9 HA ASN 612 HA ASN 612 19.303 -13.339 -51.447 10 HB2 ASN 612 HB2 ASN 612 18.074 -11.656 -53.656 11 HB3 ASN 612 HB3 ASN 612 19.651 -12.441 -53.712 12 HD21 ASN 612 HD21 ASN 612 16.265 -12.912 -54.246 13 HD22 ASN 612 HD22 ASN 612 16.339 -14.576 -54.571 14 H GLY 613 H GLY 613 17.865 -10.920 -49.968 15 HA3 GLY 613 HA2 GLY 613 18.762 -9.014 -48.897 16 HA2 GLY 613 HA3 GLY 613 20.318 -9.386 -49.647 17 H LEU 614 H LEU 614 19.795 -6.780 -49.694 18 HA LEU 614 HA LEU 614 18.242 -5.999 -52.050 19 HB2 LEU 614 HB2 LEU 614 18.691 -4.716 -49.780 20 HB3 LEU 614 HB3 LEU 614 20.191 -4.234 -50.559 21 HG LEU 614 HG LEU 614 18.573 -3.582 -52.573 22 HD13 LEU 614 HD11 LEU 614 16.388 -2.825 -51.805 23 HD12 LEU 614 HD12 LEU 614 16.762 -3.306 -50.155 24 HD11 LEU 614 HD13 LEU 614 16.574 -4.534 -51.407 25 HD23 LEU 614 HD21 LEU 614 18.777 -1.936 -50.031 26 HD22 LEU 614 HD22 LEU 614 18.411 -1.303 -51.634 27 HD21 LEU 614 HD23 LEU 614 19.996 -2.002 -51.305 28 H HIS 615 H HIS 615 19.437 -7.134 -53.768 29 HA HIS 615 HA HIS 615 22.302 -6.377 -54.076 30 HB2 HIS 615 HB2 HIS 615 20.681 -8.366 -55.671 31 HB3 HIS 615 HB3 HIS 615 22.353 -7.960 -56.010 32 HD1 HIS 615 HD1 HIS 615 21.747 -10.847 -55.358 33 HD2 HIS 615 HD2 HIS 615 22.729 -8.037 -52.428 34 HE1 HIS 615 HE1 HIS 615 22.750 -12.139 -53.426 35 HE2 HIS 615 HE2 HIS 615 23.362 -10.438 -51.640 36 H THR 616 H THR 616 22.479 -6.402 -56.905 37 HA THR 616 HA THR 616 22.138 -3.659 -57.418 38 HB THR 616 HB THR 616 22.190 -5.805 -59.552 39 HG1 THR 616 HG1 THR 616 23.995 -6.319 -58.624 40 HG23 THR 616 HG21 THR 616 23.296 -4.108 -60.872 41 HG22 THR 616 HG22 THR 616 23.380 -3.018 -59.486 42 HG21 THR 616 HG23 THR 616 21.820 -3.396 -60.218 43 H ARG 617 H ARG 617 19.913 -6.317 -58.372 44 HA ARG 617 HA ARG 617 18.262 -4.655 -59.946 45 HB2 ARG 617 HB2 ARG 617 17.843 -6.909 -60.292 46 HB3 ARG 617 HB3 ARG 617 17.871 -7.289 -58.598 47 HG2 ARG 617 HG2 ARG 617 15.602 -7.498 -59.537 48 HG3 ARG 617 HG3 ARG 617 15.639 -6.260 -58.297 49 HD2 ARG 617 HD2 ARG 617 16.028 -4.607 -60.263 50 HD3 ARG 617 HD3 ARG 617 15.503 -5.918 -61.297 51 HE ARG 617 HE ARG 617 13.829 -4.168 -59.779 52 HH21 ARG 617 HH11 ARG 617 11.726 -4.669 -59.209 53 HH22 ARG 617 HH12 ARG 617 11.180 -6.311 -59.299 54 HH11 ARG 617 HH21 ARG 617 14.195 -7.527 -60.479 55 HH12 ARG 617 HH22 ARG 617 12.579 -7.923 -60.010 No H/Q in entry = 55 In of MODEL 1 1 HA PRO 618 HA PRO 618 15.333 -3.826 -56.267 2 HB2 PRO 618 HB2 PRO 618 16.455 -4.181 -53.738 3 HB3 PRO 618 HB3 PRO 618 15.373 -5.326 -54.533 4 HG2 PRO 618 HG2 PRO 618 18.351 -5.393 -54.294 5 HG3 PRO 618 HG3 PRO 618 17.199 -6.734 -54.249 6 HD2 PRO 618 HD2 PRO 618 18.724 -6.181 -56.474 7 HD3 PRO 618 HD3 PRO 618 17.085 -6.878 -56.582 8 H ALA 619 H ALA 619 18.805 -3.256 -55.822 9 HA ALA 619 HA ALA 619 18.612 -0.751 -54.475 10 HB2 ALA 619 HB1 ALA 619 20.782 -1.698 -54.594 11 HB1 ALA 619 HB2 ALA 619 20.863 -0.310 -55.681 12 HB3 ALA 619 HB3 ALA 619 20.668 -1.937 -56.340 13 H ALA 620 H ALA 620 18.903 -1.487 -57.954 14 HA ALA 620 HA ALA 620 18.722 1.137 -58.959 15 HB1 ALA 620 HB1 ALA 620 19.064 -1.004 -60.305 16 HB3 ALA 620 HB2 ALA 620 17.950 0.160 -61.031 17 HB2 ALA 620 HB3 ALA 620 17.322 -1.254 -60.194 18 H GLN 621 H GLN 621 16.086 -1.043 -57.973 19 HA GLN 621 HA GLN 621 14.057 0.887 -58.719 20 HB2 GLN 621 HB2 GLN 621 13.628 -1.590 -58.572 21 HB3 GLN 621 HB3 GLN 621 13.832 -1.501 -56.827 22 HG2 GLN 621 HG2 GLN 621 11.454 -1.434 -57.330 23 HG3 GLN 621 HG3 GLN 621 11.935 0.164 -56.758 24 HE21 GLN 621 HE21 GLN 621 11.076 1.808 -58.012 25 HE22 GLN 621 HE22 GLN 621 10.772 1.709 -59.678 26 H PHE 622 H PHE 622 15.731 0.007 -55.722 27 HA PHE 622 HA PHE 622 14.222 1.665 -53.958 28 HB2 PHE 622 HB2 PHE 622 15.843 -0.026 -53.160 29 HB3 PHE 622 HB3 PHE 622 17.171 0.959 -53.779 30 HD1 PHE 622 HD1 PHE 622 14.316 0.936 -51.363 31 HD2 PHE 622 HD2 PHE 622 18.016 2.813 -52.529 32 HE1 PHE 622 HE1 PHE 622 14.328 2.237 -49.240 33 HE2 PHE 622 HE2 PHE 622 18.022 4.116 -50.406 34 HZ PHE 622 HZ PHE 622 16.178 3.825 -48.765 35 H VAL 623 H VAL 623 17.312 2.440 -55.693 36 HA VAL 623 HA VAL 623 17.317 5.150 -54.767 37 HB VAL 623 HB VAL 623 18.645 3.918 -57.207 38 HG12 VAL 623 HG11 VAL 623 20.131 6.133 -56.073 39 HG11 VAL 623 HG12 VAL 623 18.487 6.675 -56.373 40 HG13 VAL 623 HG13 VAL 623 19.440 5.998 -57.687 41 HG23 VAL 623 HG21 VAL 623 20.639 3.869 -55.660 42 HG22 VAL 623 HG22 VAL 623 19.333 2.785 -55.181 43 HG21 VAL 623 HG23 VAL 623 19.561 4.319 -54.338 44 H LYS 624 H LYS 624 15.749 3.565 -57.442 45 HA LYS 624 HA LYS 624 15.190 5.863 -59.064 46 HB2 LYS 624 HB2 LYS 624 14.771 3.439 -59.702 47 HB3 LYS 624 HB3 LYS 624 13.320 3.504 -58.701 48 HG2 LYS 624 HG2 LYS 624 12.705 5.612 -60.084 49 HG3 LYS 624 HG3 LYS 624 13.943 5.059 -61.210 50 HD2 LYS 624 HD2 LYS 624 11.443 3.570 -60.364 51 HD3 LYS 624 HD3 LYS 624 11.835 4.175 -61.973 52 HE2 LYS 624 HE2 LYS 624 13.957 2.624 -61.726 53 HE3 LYS 624 HE3 LYS 624 12.971 1.808 -60.517 54 HZ3 LYS 624 HZ1 LYS 624 11.610 0.979 -62.066 55 HZ2 LYS 624 HZ2 LYS 624 12.878 1.309 -63.150 56 HZ1 LYS 624 HZ3 LYS 624 11.595 2.409 -62.981 57 H GLU 625 H GLU 625 13.333 4.395 -56.398 58 HA GLU 625 HA GLU 625 11.150 6.236 -56.488 59 HB2 GLU 625 HB2 GLU 625 11.213 4.035 -55.230 60 HB3 GLU 625 HB3 GLU 625 12.207 4.836 -54.014 61 HG2 GLU 625 HG2 GLU 625 10.044 5.082 -53.137 62 HG3 GLU 625 HG3 GLU 625 10.285 6.617 -53.968 63 H ALA 626 H ALA 626 14.121 6.255 -54.469 64 HA ALA 626 HA ALA 626 13.511 8.616 -53.038 65 HB2 ALA 626 HB1 ALA 626 16.226 7.550 -53.846 66 HB3 ALA 626 HB2 ALA 626 15.327 7.093 -52.399 67 HB1 ALA 626 HB3 ALA 626 15.930 8.740 -52.580 68 H LYS 627 H LYS 627 15.580 8.349 -55.973 69 HA LYS 627 HA LYS 627 16.099 11.106 -56.234 70 HB2 LYS 627 HB2 LYS 627 15.819 8.954 -58.335 71 HB3 LYS 627 HB3 LYS 627 16.250 10.615 -58.749 72 HG2 LYS 627 HG2 LYS 627 18.187 10.493 -57.218 73 HG3 LYS 627 HG3 LYS 627 17.759 8.832 -56.810 74 HD2 LYS 627 HD2 LYS 627 18.095 8.139 -59.125 75 HD3 LYS 627 HD3 LYS 627 18.417 9.800 -59.611 76 HE2 LYS 627 HE2 LYS 627 20.076 8.265 -57.590 77 HE3 LYS 627 HE3 LYS 627 20.497 8.434 -59.294 78 HZ3 LYS 627 HZ1 LYS 627 20.870 10.680 -59.072 79 HZ2 LYS 627 HZ2 LYS 627 21.451 10.091 -57.589 80 HZ1 LYS 627 HZ3 LYS 627 19.919 10.824 -57.676 81 H GLY 628 H GLY 628 13.105 9.520 -56.465 82 HA3 GLY 628 HA2 GLY 628 11.849 11.380 -58.328 83 HA2 GLY 628 HA3 GLY 628 11.004 10.223 -57.296 84 H PHE 629 H PHE 629 12.593 11.335 -54.947 85 HA PHE 629 HA PHE 629 10.836 13.709 -54.439 86 HB2 PHE 629 HB2 PHE 629 12.260 11.835 -52.522 87 HB3 PHE 629 HB3 PHE 629 11.275 13.217 -52.041 88 HD1 PHE 629 HD1 PHE 629 11.201 9.736 -52.607 89 HD2 PHE 629 HD2 PHE 629 8.868 13.303 -53.232 90 HE1 PHE 629 HE1 PHE 629 9.140 8.357 -52.806 91 HE2 PHE 629 HE2 PHE 629 6.812 11.925 -53.429 92 HZ PHE 629 HZ PHE 629 6.947 9.453 -53.218 93 H THR 630 H THR 630 11.796 15.673 -53.773 94 HA THR 630 HA THR 630 14.704 15.866 -54.280 95 HB THR 630 HB THR 630 13.160 18.298 -53.496 96 HG1 THR 630 HG1 THR 630 11.843 16.677 -54.848 97 HG23 THR 630 HG21 THR 630 15.444 18.416 -54.428 98 HG22 THR 630 HG22 THR 630 14.286 19.195 -55.507 99 HG21 THR 630 HG23 THR 630 14.895 17.584 -55.886 100 H SER 631 H SER 631 12.604 15.485 -51.638 101 HA SER 631 HA SER 631 13.901 17.074 -49.648 102 HB2 SER 631 HB2 SER 631 12.896 15.408 -48.040 103 HB3 SER 631 HB3 SER 631 11.741 16.102 -49.178 104 HG SER 631 HG SER 631 12.568 13.526 -48.866 105 H GLU 632 H GLU 632 15.466 16.434 -48.048 106 HA GLU 632 HA GLU 632 17.611 14.817 -49.109 107 HB2 GLU 632 HB2 GLU 632 17.286 16.706 -47.012 108 HB3 GLU 632 HB3 GLU 632 17.791 15.222 -46.211 109 HG2 GLU 632 HG2 GLU 632 19.744 15.061 -47.690 110 HG3 GLU 632 HG3 GLU 632 19.223 16.502 -48.561 111 H ILE 633 H ILE 633 17.966 12.645 -48.831 112 HA ILE 633 HA ILE 633 16.328 11.189 -46.781 113 HB ILE 633 HB ILE 633 16.930 10.226 -49.598 114 HG12 ILE 633 HG12 ILE 633 14.267 11.066 -48.391 115 HG13 ILE 633 HG13 ILE 633 15.252 12.104 -49.417 116 HG21 ILE 633 HG21 ILE 633 16.376 8.731 -47.263 117 HG23 ILE 633 HG22 ILE 633 16.207 8.163 -48.920 118 HG22 ILE 633 HG23 ILE 633 14.816 8.837 -48.074 119 HD11 ILE 633 HD11 ILE 633 14.429 9.346 -50.325 120 HD13 ILE 633 HD12 ILE 633 15.001 10.700 -51.300 121 HD12 ILE 633 HD13 ILE 633 13.394 10.748 -50.577 122 H THR 634 H THR 634 17.533 9.876 -45.516 123 HA THR 634 HA THR 634 20.270 9.073 -46.452 124 HB THR 634 HB THR 634 19.557 9.784 -43.598 125 HG1 THR 634 HG1 THR 634 20.979 11.362 -45.465 126 HG21 THR 634 HG21 THR 634 21.574 8.252 -44.293 127 HG23 THR 634 HG22 THR 634 21.844 9.555 -43.143 128 HG22 THR 634 HG23 THR 634 22.298 9.764 -44.835 129 H VAL 635 H VAL 635 20.933 7.005 -45.778 130 HA VAL 635 HA VAL 635 18.820 5.282 -44.519 131 HB VAL 635 HB VAL 635 21.038 4.497 -46.455 132 HG13 VAL 635 HG11 VAL 635 20.451 2.292 -46.149 133 HG12 VAL 635 HG12 VAL 635 18.742 2.661 -45.920 134 HG11 VAL 635 HG13 VAL 635 19.872 2.858 -44.586 135 HG22 VAL 635 HG21 VAL 635 19.401 5.718 -47.686 136 HG21 VAL 635 HG22 VAL 635 18.067 4.945 -46.828 137 HG23 VAL 635 HG23 VAL 635 19.038 4.015 -47.969 138 H THR 636 H THR 636 19.582 4.073 -42.715 139 HA THR 636 HA THR 636 22.484 4.407 -42.046 140 HB THR 636 HB THR 636 20.166 4.659 -40.111 141 HG1 THR 636 HG1 THR 636 21.693 6.471 -41.566 142 HG21 THR 636 HG21 THR 636 22.909 3.989 -39.654 143 HG23 THR 636 HG22 THR 636 21.697 4.409 -38.443 144 HG22 THR 636 HG23 THR 636 22.703 5.668 -39.157 145 H SER 637 H SER 637 23.411 2.438 -41.780 146 HA SER 637 HA SER 637 21.782 0.235 -40.595 147 HB2 SER 637 HB2 SER 637 22.272 -1.261 -42.312 148 HB3 SER 637 HB3 SER 637 22.065 0.233 -43.221 149 HG SER 637 HG SER 637 24.062 0.008 -43.815 150 H ASN 638 H ASN 638 22.844 -0.557 -38.905 151 HA ASN 638 HA ASN 638 24.606 -0.868 -37.348 152 HB2 ASN 638 HB2 ASN 638 25.286 -2.237 -39.922 153 HB3 ASN 638 HB3 ASN 638 26.514 -2.232 -38.657 154 HD21 ASN 638 HD21 ASN 638 26.143 -4.612 -38.447 155 HD22 ASN 638 HD22 ASN 638 24.805 -5.182 -37.576 156 H GLY 639 H GLY 639 24.965 1.690 -37.547 157 HA3 GLY 639 HA2 GLY 639 26.621 3.298 -37.263 158 HA2 GLY 639 HA3 GLY 639 27.806 2.019 -37.443 159 H LYS 640 H LYS 640 26.236 1.711 -40.274 160 HA LYS 640 HA LYS 640 27.982 3.776 -41.614 161 HB2 LYS 640 HB2 LYS 640 27.060 1.043 -42.522 162 HB3 LYS 640 HB3 LYS 640 27.777 2.226 -43.613 163 HG2 LYS 640 HG2 LYS 640 29.807 2.304 -42.210 164 HG3 LYS 640 HG3 LYS 640 29.092 1.115 -41.118 165 HD2 LYS 640 HD2 LYS 640 29.195 -0.611 -42.722 166 HD3 LYS 640 HD3 LYS 640 29.353 0.515 -44.066 167 HE2 LYS 640 HE2 LYS 640 31.508 -0.558 -43.634 168 HE3 LYS 640 HE3 LYS 640 31.611 1.155 -43.236 169 HZ1 LYS 640 HZ1 LYS 640 30.835 -0.717 -41.121 170 HZ3 LYS 640 HZ2 LYS 640 31.721 0.731 -41.020 171 HZ2 LYS 640 HZ3 LYS 640 32.464 -0.683 -41.597 172 H SER 641 H SER 641 26.885 5.418 -42.604 173 HA SER 641 HA SER 641 24.090 4.880 -43.530 174 HB2 SER 641 HB2 SER 641 24.485 7.691 -43.075 175 HB3 SER 641 HB3 SER 641 23.403 6.604 -42.213 176 HG SER 641 HG SER 641 25.770 7.666 -41.449 177 H ALA 642 H ALA 642 23.479 5.676 -45.516 178 HA ALA 642 HA ALA 642 25.545 7.143 -47.113 179 HB2 ALA 642 HB1 ALA 642 25.390 4.464 -47.367 180 HB3 ALA 642 HB2 ALA 642 25.756 5.510 -48.730 181 HB1 ALA 642 HB3 ALA 642 24.119 4.907 -48.505 182 H SER 643 H SER 643 24.639 7.981 -49.180 183 HA SER 643 HA SER 643 21.956 9.102 -48.707 184 HB2 SER 643 HB2 SER 643 24.349 9.951 -50.007 185 HB3 SER 643 HB3 SER 643 23.100 9.901 -51.240 186 HG SER 643 HG SER 643 22.767 11.096 -48.684 187 H ALA 644 H ALA 644 20.105 8.390 -49.762 188 HA ALA 644 HA ALA 644 20.218 6.018 -51.372 189 HB1 ALA 644 HB1 ALA 644 18.274 6.484 -49.965 190 HB3 ALA 644 HB2 ALA 644 17.771 6.401 -51.654 191 HB2 ALA 644 HB3 ALA 644 17.955 7.967 -50.863 192 H LYS 645 H LYS 645 20.551 9.340 -52.103 193 HA LYS 645 HA LYS 645 19.738 8.973 -54.944 194 HB2 LYS 645 HB2 LYS 645 20.141 11.326 -55.224 195 HB3 LYS 645 HB3 LYS 645 19.230 11.146 -53.726 196 HG2 LYS 645 HG2 LYS 645 21.620 11.035 -52.623 197 HG3 LYS 645 HG3 LYS 645 22.145 11.820 -54.110 198 HD2 LYS 645 HD2 LYS 645 19.935 12.860 -52.303 199 HD3 LYS 645 HD3 LYS 645 21.599 13.423 -52.260 200 HE2 LYS 645 HE2 LYS 645 19.945 13.509 -54.792 201 HE3 LYS 645 HE3 LYS 645 19.972 14.830 -53.635 202 HZ2 LYS 645 HZ1 LYS 645 21.677 14.685 -55.622 203 HZ1 LYS 645 HZ2 LYS 645 22.544 13.760 -54.492 204 HZ3 LYS 645 HZ3 LYS 645 22.100 15.357 -54.122 205 H SER 646 H SER 646 21.941 7.677 -53.428 206 HA SER 646 HA SER 646 24.066 8.131 -55.479 207 HB2 SER 646 HB2 SER 646 24.466 8.398 -52.502 208 HB3 SER 646 HB3 SER 646 25.809 8.073 -53.600 209 HG SER 646 HG SER 646 25.592 10.287 -53.349 210 H LEU 647 H LEU 647 23.632 6.105 -56.314 211 HA LEU 647 HA LEU 647 23.456 3.693 -54.873 212 HB2 LEU 647 HB2 LEU 647 22.853 3.988 -57.269 213 HB3 LEU 647 HB3 LEU 647 24.565 4.149 -57.622 214 HG LEU 647 HG LEU 647 24.997 1.870 -56.855 215 HD13 LEU 647 HD11 LEU 647 23.365 1.476 -55.153 216 HD12 LEU 647 HD12 LEU 647 22.891 0.420 -56.480 217 HD11 LEU 647 HD13 LEU 647 22.038 1.943 -56.220 218 HD21 LEU 647 HD21 LEU 647 24.005 2.551 -59.233 219 HD23 LEU 647 HD22 LEU 647 22.619 1.613 -58.695 220 HD22 LEU 647 HD23 LEU 647 24.209 0.853 -58.810 221 H PHE 648 H PHE 648 26.219 5.497 -56.090 222 HA PHE 648 HA PHE 648 28.255 3.573 -55.779 223 HB2 PHE 648 HB2 PHE 648 28.374 6.547 -55.201 224 HB3 PHE 648 HB3 PHE 648 29.780 5.502 -55.378 225 HD1 PHE 648 HD1 PHE 648 27.715 7.763 -57.081 226 HD2 PHE 648 HD2 PHE 648 29.715 3.983 -57.627 227 HE1 PHE 648 HE1 PHE 648 27.694 8.109 -59.535 228 HE2 PHE 648 HE2 PHE 648 29.694 4.348 -60.094 229 HZ PHE 648 HZ PHE 648 28.688 6.398 -61.046 230 H LYS 649 H LYS 649 27.131 5.977 -53.336 231 HA LYS 649 HA LYS 649 28.832 4.862 -51.299 232 HB2 LYS 649 HB2 LYS 649 26.360 6.594 -50.958 233 HB3 LYS 649 HB3 LYS 649 27.630 6.329 -49.762 234 HG2 LYS 649 HG2 LYS 649 29.257 7.187 -51.604 235 HG3 LYS 649 HG3 LYS 649 27.804 7.826 -52.374 236 HD2 LYS 649 HD2 LYS 649 28.525 8.431 -49.489 237 HD3 LYS 649 HD3 LYS 649 29.058 9.430 -50.835 238 HE2 LYS 649 HE2 LYS 649 26.192 8.929 -51.032 239 HE3 LYS 649 HE3 LYS 649 26.600 9.644 -49.476 240 HZ1 LYS 649 HZ1 LYS 649 28.125 11.034 -51.252 241 HZ3 LYS 649 HZ2 LYS 649 26.666 11.565 -50.561 242 HZ2 LYS 649 HZ3 LYS 649 26.664 10.820 -52.087 243 H LEU 650 H LEU 650 25.382 4.354 -52.114 244 HA LEU 650 HA LEU 650 24.668 2.826 -49.879 245 HB2 LEU 650 HB2 LEU 650 23.848 2.397 -52.767 246 HB3 LEU 650 HB3 LEU 650 23.170 1.459 -51.443 247 HG LEU 650 HG LEU 650 23.099 4.483 -51.442 248 HD11 LEU 650 HD11 LEU 650 21.380 2.535 -52.952 249 HD13 LEU 650 HD12 LEU 650 21.823 4.189 -53.353 250 HD12 LEU 650 HD13 LEU 650 20.569 3.889 -52.168 251 HD22 LEU 650 HD21 LEU 650 21.673 4.275 -49.620 252 HD21 LEU 650 HD22 LEU 650 22.547 2.764 -49.403 253 HD23 LEU 650 HD23 LEU 650 20.980 2.756 -50.188 254 H GLN 651 H GLN 651 26.134 1.509 -52.879 255 HA GLN 651 HA GLN 651 26.399 -1.133 -52.249 256 HB2 GLN 651 HB2 GLN 651 28.121 0.797 -53.718 257 HB3 GLN 651 HB3 GLN 651 28.933 -0.688 -53.239 258 HG2 GLN 651 HG2 GLN 651 28.031 -1.043 -55.430 259 HG3 GLN 651 HG3 GLN 651 27.049 -1.969 -54.303 260 HE21 GLN 651 HE21 GLN 651 26.127 -1.001 -56.905 261 HE22 GLN 651 HE22 GLN 651 24.856 0.083 -56.613 262 H THR 652 H THR 652 27.857 1.436 -50.401 263 HA THR 652 HA THR 652 29.876 -0.341 -49.228 264 HB THR 652 HB THR 652 30.496 1.591 -47.878 265 HG1 THR 652 HG1 THR 652 29.230 3.344 -47.751 266 HG23 THR 652 HG21 THR 652 31.361 1.567 -50.124 267 HG22 THR 652 HG22 THR 652 30.889 3.224 -49.743 268 HG21 THR 652 HG23 THR 652 29.851 2.225 -50.764 269 H LEU 653 H LEU 653 26.559 0.167 -48.709 270 HA LEU 653 HA LEU 653 26.734 -0.518 -45.809 271 HB2 LEU 653 HB2 LEU 653 24.222 -0.179 -47.467 272 HB3 LEU 653 HB3 LEU 653 24.366 -0.164 -45.712 273 HG LEU 653 HG LEU 653 25.477 1.882 -47.632 274 HD12 LEU 653 HD11 LEU 653 23.695 2.864 -45.515 275 HD11 LEU 653 HD12 LEU 653 22.896 1.628 -46.477 276 HD13 LEU 653 HD13 LEU 653 23.550 3.055 -47.259 277 HD22 LEU 653 HD21 LEU 653 27.072 1.790 -45.907 278 HD21 LEU 653 HD22 LEU 653 25.855 1.468 -44.670 279 HD23 LEU 653 HD23 LEU 653 25.990 3.077 -45.380 280 H GLY 654 H GLY 654 26.875 -2.660 -45.339 281 HA3 GLY 654 HA2 GLY 654 26.163 -4.698 -47.298 282 HA2 GLY 654 HA3 GLY 654 26.670 -5.006 -45.635 283 H LEU 655 H LEU 655 23.907 -4.398 -47.721 284 HA LEU 655 HA LEU 655 22.040 -4.670 -45.402 285 HB2 LEU 655 HB2 LEU 655 21.371 -4.036 -48.290 286 HB3 LEU 655 HB3 LEU 655 20.337 -3.835 -46.877 287 HG LEU 655 HG LEU 655 22.876 -2.300 -47.499 288 HD11 LEU 655 HD11 LEU 655 20.743 -1.652 -48.685 289 HD13 LEU 655 HD12 LEU 655 21.425 -0.381 -47.670 290 HD12 LEU 655 HD13 LEU 655 20.041 -1.313 -47.102 291 HD21 LEU 655 HD21 LEU 655 21.189 -2.482 -45.004 292 HD23 LEU 655 HD22 LEU 655 22.086 -1.010 -45.373 293 HD22 LEU 655 HD23 LEU 655 22.943 -2.536 -45.154 294 H THR 656 H THR 656 22.203 -6.944 -45.036 295 HA THR 656 HA THR 656 21.689 -8.770 -47.312 296 HB THR 656 HB THR 656 22.211 -10.546 -45.680 297 HG1 THR 656 HG1 THR 656 23.092 -8.966 -43.702 298 HG23 THR 656 HG21 THR 656 24.277 -9.998 -46.517 299 HG22 THR 656 HG22 THR 656 24.532 -9.298 -44.920 300 HG21 THR 656 HG23 THR 656 24.036 -8.268 -46.261 301 H GLN 657 H GLN 657 20.235 -10.754 -46.577 302 HA GLN 657 HA GLN 657 17.550 -9.748 -46.295 303 HB2 GLN 657 HB2 GLN 657 17.987 -11.791 -47.559 304 HB3 GLN 657 HB3 GLN 657 18.619 -12.579 -46.114 305 HG2 GLN 657 HG2 GLN 657 16.056 -11.560 -45.428 306 HG3 GLN 657 HG3 GLN 657 15.883 -12.361 -46.987 307 HE21 GLN 657 HE21 GLN 657 15.363 -13.080 -43.905 308 HE22 GLN 657 HE22 GLN 657 15.892 -14.690 -43.844 309 H GLY 658 H GLY 658 16.741 -8.998 -44.406 310 HA3 GLY 658 HA2 GLY 658 15.854 -9.496 -42.190 311 HA2 GLY 658 HA3 GLY 658 17.199 -10.610 -41.939 312 H THR 659 H THR 659 18.254 -7.786 -43.449 313 HA THR 659 HA THR 659 19.589 -6.922 -40.969 314 HB THR 659 HB THR 659 19.771 -5.680 -43.721 315 HG1 THR 659 HG1 THR 659 21.855 -7.192 -43.148 316 HG21 THR 659 HG21 THR 659 20.674 -4.341 -41.836 317 HG23 THR 659 HG22 THR 659 21.952 -4.897 -42.913 318 HG22 THR 659 HG23 THR 659 21.688 -5.710 -41.375 319 H VAL 660 H VAL 660 18.334 -5.706 -39.636 320 HA VAL 660 HA VAL 660 16.240 -3.972 -40.636 321 HB VAL 660 HB VAL 660 17.476 -3.952 -37.871 322 HG12 VAL 660 HG11 VAL 660 15.130 -3.143 -37.286 323 HG11 VAL 660 HG12 VAL 660 14.871 -2.920 -39.016 324 HG13 VAL 660 HG13 VAL 660 16.133 -2.006 -38.187 325 HG23 VAL 660 HG21 VAL 660 14.900 -5.357 -38.142 326 HG22 VAL 660 HG22 VAL 660 16.385 -5.904 -37.376 327 HG21 VAL 660 HG23 VAL 660 16.161 -6.123 -39.109 328 H VAL 661 H VAL 661 16.600 -2.146 -41.622 329 HA VAL 661 HA VAL 661 18.987 -0.490 -40.888 330 HB VAL 661 HB VAL 661 18.807 0.424 -43.127 331 HG13 VAL 661 HG11 VAL 661 19.989 -1.707 -42.975 332 HG12 VAL 661 HG12 VAL 661 19.086 -1.639 -44.490 333 HG11 VAL 661 HG13 VAL 661 18.467 -2.586 -43.137 334 HG21 VAL 661 HG21 VAL 661 16.218 -1.132 -43.196 335 HG23 VAL 661 HG22 VAL 661 17.007 -0.570 -44.670 336 HG22 VAL 661 HG23 VAL 661 16.453 0.595 -43.466 337 H THR 662 H THR 662 18.386 1.959 -41.439 338 HA THR 662 HA THR 662 15.592 2.537 -40.575 339 HB THR 662 HB THR 662 18.000 4.039 -39.514 340 HG1 THR 662 HG1 THR 662 17.965 2.714 -37.903 341 HG21 THR 662 HG21 THR 662 15.294 4.831 -39.797 342 HG23 THR 662 HG22 THR 662 16.495 5.588 -38.753 343 HG22 THR 662 HG23 THR 662 15.440 4.322 -38.114 344 H ILE 663 H ILE 663 14.653 3.991 -41.913 345 HA ILE 663 HA ILE 663 16.450 5.418 -43.839 346 HB ILE 663 HB ILE 663 13.454 4.897 -43.917 347 HG12 ILE 663 HG12 ILE 663 15.567 3.636 -45.683 348 HG13 ILE 663 HG13 ILE 663 15.091 2.898 -44.158 349 HG23 ILE 663 HG21 ILE 663 13.512 5.810 -46.140 350 HG22 ILE 663 HG22 ILE 663 15.273 5.871 -46.139 351 HG21 ILE 663 HG23 ILE 663 14.354 6.966 -45.120 352 HD12 ILE 663 HD11 ILE 663 13.232 3.559 -46.464 353 HD11 ILE 663 HD12 ILE 663 12.737 2.867 -44.920 354 HD13 ILE 663 HD13 ILE 663 13.783 1.951 -46.002 355 H SER 664 H SER 664 16.813 7.489 -43.243 356 HA SER 664 HA SER 664 14.683 8.943 -41.687 357 HB2 SER 664 HB2 SER 664 16.785 10.352 -40.956 358 HB3 SER 664 HB3 SER 664 16.446 8.813 -40.167 359 HG SER 664 HG SER 664 17.909 7.840 -41.648 360 H ALA 665 H ALA 665 13.946 10.814 -42.651 361 HA ALA 665 HA ALA 665 15.651 12.138 -44.710 362 HB2 ALA 665 HB1 ALA 665 12.771 11.325 -45.201 363 HB1 ALA 665 HB2 ALA 665 14.174 10.491 -45.875 364 HB3 ALA 665 HB3 ALA 665 13.836 12.161 -46.329 365 H GLU 666 H GLU 666 15.081 14.339 -45.061 366 HA GLU 666 HA GLU 666 12.885 15.495 -43.424 367 HB2 GLU 666 HB2 GLU 666 14.904 15.574 -41.976 368 HB3 GLU 666 HB3 GLU 666 15.771 16.428 -43.251 369 HG2 GLU 666 HG2 GLU 666 14.163 18.284 -43.128 370 HG3 GLU 666 HG3 GLU 666 13.254 17.426 -41.887 371 H GLY 667 H GLY 667 11.812 16.912 -44.762 372 HA3 GLY 667 HA2 GLY 667 12.806 19.036 -46.185 373 HA2 GLY 667 HA3 GLY 667 13.048 17.691 -47.297 374 H GLU 668 H GLU 668 11.587 18.838 -48.647 375 HA GLU 668 HA GLU 668 8.888 19.496 -48.040 376 HB2 GLU 668 HB2 GLU 668 9.954 20.297 -50.076 377 HB3 GLU 668 HB3 GLU 668 10.033 18.655 -50.717 378 HG2 GLU 668 HG2 GLU 668 7.603 18.501 -50.781 379 HG3 GLU 668 HG3 GLU 668 7.451 20.052 -49.952 380 H ASP 669 H ASP 669 10.026 16.432 -49.605 381 HA ASP 669 HA ASP 669 7.295 15.319 -49.080 382 HB2 ASP 669 HB2 ASP 669 9.513 14.496 -50.964 383 HB3 ASP 669 HB3 ASP 669 8.051 13.537 -50.702 384 H GLU 670 H GLU 670 10.009 15.411 -47.374 385 HA GLU 670 HA GLU 670 11.074 12.960 -46.837 386 HB2 GLU 670 HB2 GLU 670 11.339 13.628 -44.518 387 HB3 GLU 670 HB3 GLU 670 11.531 15.036 -45.551 388 HG2 GLU 670 HG2 GLU 670 9.075 15.539 -45.168 389 HG3 GLU 670 HG3 GLU 670 9.087 14.273 -43.942 390 H GLN 671 H GLN 671 7.754 13.887 -45.921 391 HA GLN 671 HA GLN 671 7.310 11.584 -44.244 392 HB2 GLN 671 HB2 GLN 671 5.302 13.256 -45.777 393 HB3 GLN 671 HB3 GLN 671 4.918 12.135 -44.472 394 HG2 GLN 671 HG2 GLN 671 6.255 13.460 -42.906 395 HG3 GLN 671 HG3 GLN 671 6.716 14.560 -44.206 396 HE21 GLN 671 HE21 GLN 671 5.577 16.132 -42.558 397 HE22 GLN 671 HE22 GLN 671 3.905 16.353 -42.770 398 H LYS 672 H LYS 672 6.609 12.200 -47.685 399 HA LYS 672 HA LYS 672 5.317 9.654 -48.107 400 HB2 LYS 672 HB2 LYS 672 6.684 11.573 -50.016 401 HB3 LYS 672 HB3 LYS 672 5.777 10.151 -50.534 402 HG2 LYS 672 HG2 LYS 672 3.746 10.998 -49.518 403 HG3 LYS 672 HG3 LYS 672 4.624 12.352 -48.801 404 HD2 LYS 672 HD2 LYS 672 5.217 13.128 -51.110 405 HD3 LYS 672 HD3 LYS 672 4.207 11.838 -51.763 406 HE2 LYS 672 HE2 LYS 672 3.077 13.806 -49.772 407 HE3 LYS 672 HE3 LYS 672 3.161 14.205 -51.485 408 HZ1 LYS 672 HZ1 LYS 672 2.152 11.652 -51.380 409 HZ3 LYS 672 HZ2 LYS 672 1.292 13.076 -51.729 410 HZ2 LYS 672 HZ3 LYS 672 1.351 12.483 -50.137 411 H ALA 673 H ALA 673 8.577 10.841 -48.903 412 HA ALA 673 HA ALA 673 9.722 8.584 -49.979 413 HB1 ALA 673 HB1 ALA 673 10.850 10.709 -48.169 414 HB3 ALA 673 HB2 ALA 673 11.065 10.507 -49.907 415 HB2 ALA 673 HB3 ALA 673 11.875 9.413 -48.787 416 H VAL 674 H VAL 674 9.126 9.100 -46.483 417 HA VAL 674 HA VAL 674 10.562 6.611 -45.839 418 HB VAL 674 HB VAL 674 8.792 8.328 -44.067 419 HG11 VAL 674 HG11 VAL 674 10.346 5.782 -43.628 420 HG13 VAL 674 HG12 VAL 674 8.789 6.265 -42.964 421 HG12 VAL 674 HG13 VAL 674 10.273 6.951 -42.313 422 HG23 VAL 674 HG21 VAL 674 10.969 9.052 -43.107 423 HG22 VAL 674 HG22 VAL 674 10.838 9.479 -44.813 424 HG21 VAL 674 HG23 VAL 674 11.813 8.092 -44.321 425 H GLU 675 H GLU 675 7.178 7.637 -46.205 426 HA GLU 675 HA GLU 675 6.104 5.137 -45.266 427 HB2 GLU 675 HB2 GLU 675 4.900 7.318 -46.987 428 HB3 GLU 675 HB3 GLU 675 4.001 5.892 -46.475 429 HG2 GLU 675 HG2 GLU 675 4.794 6.574 -44.060 430 HG3 GLU 675 HG3 GLU 675 5.082 8.150 -44.795 431 H HIS 676 H HIS 676 7.032 6.269 -48.538 432 HA HIS 676 HA HIS 676 5.988 3.809 -49.742 433 HB2 HIS 676 HB2 HIS 676 7.698 6.041 -50.883 434 HB3 HIS 676 HB3 HIS 676 6.993 4.724 -51.820 435 HD1 HIS 676 HD1 HIS 676 4.641 5.546 -49.250 436 HD2 HIS 676 HD2 HIS 676 5.613 7.219 -52.944 437 HE1 HIS 676 HE1 HIS 676 2.680 7.006 -49.911 438 HE2 HIS 676 HE2 HIS 676 3.256 8.033 -52.161 439 H LEU 677 H LEU 677 9.251 5.188 -49.111 440 HA LEU 677 HA LEU 677 10.699 2.991 -50.214 441 HB2 LEU 677 HB2 LEU 677 11.442 4.844 -47.933 442 HB3 LEU 677 HB3 LEU 677 12.555 3.705 -48.675 443 HG LEU 677 HG LEU 677 11.107 5.897 -50.198 444 HD13 LEU 677 HD11 LEU 677 12.636 6.947 -48.655 445 HD12 LEU 677 HD12 LEU 677 13.407 6.957 -50.241 446 HD11 LEU 677 HD13 LEU 677 13.901 5.772 -49.027 447 HD23 LEU 677 HD21 LEU 677 13.106 5.342 -51.805 448 HD22 LEU 677 HD22 LEU 677 11.722 4.251 -51.786 449 HD21 LEU 677 HD23 LEU 677 13.191 3.828 -50.913 450 H VAL 678 H VAL 678 9.302 3.489 -46.998 451 HA VAL 678 HA VAL 678 10.480 1.178 -45.787 452 HB VAL 678 HB VAL 678 9.271 3.048 -44.569 453 HG11 VAL 678 HG11 VAL 678 7.266 2.799 -46.241 454 HG13 VAL 678 HG12 VAL 678 6.930 3.166 -44.548 455 HG12 VAL 678 HG13 VAL 678 6.740 1.518 -45.147 456 HG21 VAL 678 HG21 VAL 678 8.586 0.135 -44.082 457 HG23 VAL 678 HG22 VAL 678 8.139 1.410 -42.950 458 HG22 VAL 678 HG23 VAL 678 9.839 1.096 -43.296 459 H LYS 679 H LYS 679 7.399 1.602 -47.581 460 HA LYS 679 HA LYS 679 6.683 -1.195 -47.276 461 HB2 LYS 679 HB2 LYS 679 5.716 1.104 -48.957 462 HB3 LYS 679 HB3 LYS 679 5.252 -0.536 -49.407 463 HG2 LYS 679 HG2 LYS 679 4.977 0.280 -46.546 464 HG3 LYS 679 HG3 LYS 679 3.778 0.855 -47.705 465 HD2 LYS 679 HD2 LYS 679 3.303 -1.442 -48.405 466 HD3 LYS 679 HD3 LYS 679 4.552 -2.049 -47.313 467 HE2 LYS 679 HE2 LYS 679 2.224 -0.379 -46.360 468 HE3 LYS 679 HE3 LYS 679 2.164 -2.138 -46.421 469 HZ2 LYS 679 HZ1 LYS 679 3.004 -0.820 -44.300 470 HZ1 LYS 679 HZ2 LYS 679 4.482 -0.945 -45.127 471 HZ3 LYS 679 HZ3 LYS 679 3.614 -2.344 -44.721 472 H LEU 680 H LEU 680 7.890 0.690 -50.081 473 HA LEU 680 HA LEU 680 8.388 -1.416 -51.822 474 HB2 LEU 680 HB2 LEU 680 9.942 1.158 -51.399 475 HB3 LEU 680 HB3 LEU 680 10.159 0.109 -52.790 476 HG LEU 680 HG LEU 680 7.448 1.224 -52.052 477 HD13 LEU 680 HD11 LEU 680 7.826 2.996 -53.761 478 HD12 LEU 680 HD12 LEU 680 9.482 2.435 -53.971 479 HD11 LEU 680 HD13 LEU 680 8.982 3.151 -52.440 480 HD22 LEU 680 HD21 LEU 680 7.216 -0.572 -53.548 481 HD21 LEU 680 HD22 LEU 680 8.685 -0.152 -54.429 482 HD23 LEU 680 HD23 LEU 680 7.233 0.833 -54.614 483 H MET 681 H MET 681 10.308 -0.390 -49.049 484 HA MET 681 HA MET 681 12.552 -2.149 -49.737 485 HB2 MET 681 HB2 MET 681 12.795 -0.117 -48.214 486 HB3 MET 681 HB3 MET 681 11.941 -1.057 -46.986 487 HG2 MET 681 HG2 MET 681 14.220 -1.498 -46.527 488 HG3 MET 681 HG3 MET 681 13.701 -2.903 -47.450 489 HE3 MET 681 HE1 MET 681 16.844 0.179 -48.406 490 HE2 MET 681 HE2 MET 681 16.798 -0.965 -47.069 491 HE1 MET 681 HE3 MET 681 15.572 0.297 -47.183 492 H ALA 682 H ALA 682 9.670 -2.293 -47.717 493 HA ALA 682 HA ALA 682 10.289 -4.997 -46.786 494 HB2 ALA 682 HB1 ALA 682 8.287 -4.860 -45.528 495 HB3 ALA 682 HB2 ALA 682 7.606 -3.628 -46.591 496 HB1 ALA 682 HB3 ALA 682 8.936 -3.220 -45.507 497 H GLU 683 H GLU 683 9.138 -3.761 -49.708 498 HA GLU 683 HA GLU 683 7.508 -6.217 -50.217 499 HB2 GLU 683 HB2 GLU 683 6.995 -3.493 -50.776 500 HB3 GLU 683 HB3 GLU 683 7.284 -4.271 -52.331 501 HG2 GLU 683 HG2 GLU 683 4.953 -4.545 -51.923 502 HG3 GLU 683 HG3 GLU 683 5.674 -6.106 -51.547 503 H LEU 684 H LEU 684 10.609 -5.096 -50.811 504 HA LEU 684 HA LEU 684 10.753 -6.100 -53.568 505 HB2 LEU 684 HB2 LEU 684 12.766 -4.975 -51.634 506 HB3 LEU 684 HB3 LEU 684 13.307 -5.823 -53.083 507 HG LEU 684 HG LEU 684 11.311 -3.545 -53.156 508 HD13 LEU 684 HD11 LEU 684 13.127 -2.304 -52.520 509 HD12 LEU 684 HD12 LEU 684 13.571 -2.496 -54.215 510 HD11 LEU 684 HD13 LEU 684 14.277 -3.553 -52.993 511 HD21 LEU 684 HD21 LEU 684 12.943 -5.055 -55.208 512 HD23 LEU 684 HD22 LEU 684 12.203 -3.493 -55.559 513 HD22 LEU 684 HD23 LEU 684 11.191 -4.874 -55.136 514 H GLU 685 H GLU 685 11.205 -8.142 -54.140 515 HA GLU 685 HA GLU 685 11.897 -10.088 -51.994 516 HB2 GLU 685 HB2 GLU 685 10.567 -10.445 -54.693 517 HB3 GLU 685 HB3 GLU 685 11.068 -11.795 -53.676 518 HG2 GLU 685 HG2 GLU 685 9.613 -11.026 -51.867 519 HG3 GLU 685 HG3 GLU 685 9.175 -9.593 -52.789 No H/Q in entry = 519 In of MODEL 2 1 H1 MET 1 H1 MET 1 -68.645 -22.675 15.022 2 H2 MET 1 H3 MET 1 -69.618 -24.030 14.704 3 H3 MET 1 H2 MET 1 -68.317 -24.153 15.789 4 HA MET 1 HA MET 1 -67.015 -24.805 14.137 5 HB2 MET 1 HB2 MET 1 -69.315 -24.019 12.312 6 HB3 MET 1 HB3 MET 1 -67.934 -25.012 11.848 7 HG2 MET 1 HG2 MET 1 -69.392 -25.939 14.261 8 HG3 MET 1 HG3 MET 1 -70.306 -26.037 12.756 9 HE1 MET 1 HE1 MET 1 -69.839 -27.445 10.807 10 HE3 MET 1 HE2 MET 1 -70.501 -28.443 12.103 11 HE2 MET 1 HE3 MET 1 -69.192 -29.058 11.097 No H/Q in entry = 11 In of MODEL 2 1 H ILE 2 H ILE 2 -65.850 -22.774 14.854 2 HA ILE 2 HA ILE 2 -65.817 -20.660 12.741 3 HB ILE 2 HB ILE 2 -64.652 -20.603 15.542 4 HG12 ILE 2 HG12 ILE 2 -67.082 -19.128 14.487 5 HG13 ILE 2 HG13 ILE 2 -67.193 -20.655 15.362 6 HG21 ILE 2 HG21 ILE 2 -64.938 -18.509 13.369 7 HG23 ILE 2 HG22 ILE 2 -63.433 -19.146 14.035 8 HG22 ILE 2 HG23 ILE 2 -64.485 -18.143 15.032 9 HD11 ILE 2 HD11 ILE 2 -65.862 -18.145 16.468 10 HD13 ILE 2 HD12 ILE 2 -66.147 -19.652 17.341 11 HD12 ILE 2 HD13 ILE 2 -67.511 -18.646 16.852 No H/Q in entry = 11 In of MODEL 2 1 H SER 3 H SER 3 -63.998 -20.581 11.424 2 HA SER 3 HA SER 3 -61.518 -22.010 12.335 3 HB2 SER 3 HB2 SER 3 -61.220 -22.647 9.905 4 HB3 SER 3 HB3 SER 3 -62.556 -23.454 10.719 5 HG SER 3 HG SER 3 -62.606 -21.881 8.566 No H/Q in entry = 5 In of MODEL 2 1 H GLY 4 H GLY 4 -59.585 -20.991 11.861 2 HA3 GLY 4 HA2 GLY 4 -59.714 -18.397 10.349 3 HA2 GLY 4 HA3 GLY 4 -58.754 -18.588 11.818 No H/Q in entry = 3 In of MODEL 2 1 H ILE 5 H ILE 5 -56.858 -18.009 10.408 2 HA ILE 5 HA ILE 5 -56.106 -20.077 8.414 3 HB ILE 5 HB ILE 5 -55.817 -17.375 8.426 4 HG12 ILE 5 HG12 ILE 5 -55.583 -18.904 6.494 5 HG13 ILE 5 HG13 ILE 5 -54.245 -17.758 6.544 6 HG22 ILE 5 HG21 ILE 5 -53.066 -18.456 9.138 7 HG21 ILE 5 HG22 ILE 5 -54.108 -17.668 10.315 8 HG23 ILE 5 HG23 ILE 5 -53.538 -16.776 8.904 9 HD13 ILE 5 HD11 ILE 5 -53.242 -19.887 6.102 10 HD12 ILE 5 HD12 ILE 5 -54.204 -20.683 7.343 11 HD11 ILE 5 HD13 ILE 5 -52.929 -19.563 7.806 No H/Q in entry = 11 In of MODEL 2 1 H LEU 6 H LEU 6 -55.511 -19.419 11.734 2 HA LEU 6 HA LEU 6 -53.948 -20.283 13.238 3 HB2 LEU 6 HB2 LEU 6 -53.687 -22.459 11.136 4 HB3 LEU 6 HB3 LEU 6 -53.262 -22.598 12.838 5 HG LEU 6 HG LEU 6 -55.397 -23.623 12.659 6 HD12 LEU 6 HD11 LEU 6 -56.170 -20.813 13.460 7 HD11 LEU 6 HD12 LEU 6 -55.091 -21.787 14.460 8 HD13 LEU 6 HD13 LEU 6 -56.734 -22.340 14.129 9 HD22 LEU 6 HD21 LEU 6 -57.152 -22.929 11.250 10 HD21 LEU 6 HD22 LEU 6 -55.762 -22.376 10.318 11 HD23 LEU 6 HD23 LEU 6 -56.674 -21.233 11.296 No H/Q in entry = 11 In of MODEL 2 1 H ALA 7 H ALA 7 -52.194 -18.934 13.318 2 HA ALA 7 HA ALA 7 -50.206 -18.975 11.105 3 HB3 ALA 7 HB1 ALA 7 -49.303 -16.985 12.133 4 HB1 ALA 7 HB2 ALA 7 -50.248 -17.253 13.594 5 HB2 ALA 7 HB3 ALA 7 -51.057 -16.811 12.092 No H/Q in entry = 5 In of MODEL 2 1 H SER 8 H SER 8 -50.632 -20.035 14.412 2 HA SER 8 HA SER 8 -47.945 -21.319 14.281 3 HB2 SER 8 HB2 SER 8 -47.299 -19.573 15.635 4 HB3 SER 8 HB3 SER 8 -48.911 -19.344 16.316 5 HG SER 8 HG SER 8 -46.850 -21.013 17.094 No H/Q in entry = 5 In of MODEL 2 1 HA PRO 9 HA PRO 9 -50.770 -24.506 15.830 2 HB2 PRO 9 HB2 PRO 9 -49.129 -26.641 15.685 3 HB3 PRO 9 HB3 PRO 9 -49.742 -25.851 14.215 4 HG2 PRO 9 HG2 PRO 9 -47.081 -25.551 15.549 5 HG3 PRO 9 HG3 PRO 9 -47.456 -25.743 13.825 6 HD2 PRO 9 HD2 PRO 9 -46.949 -23.298 14.993 7 HD3 PRO 9 HD3 PRO 9 -47.964 -23.505 13.548 No H/Q in entry = 7 In of MODEL 2 1 H GLY 10 H GLY 10 -51.168 -25.373 17.885 2 HA3 GLY 10 HA2 GLY 10 -49.418 -26.287 19.820 3 HA2 GLY 10 HA3 GLY 10 -49.415 -24.537 20.057 No H/Q in entry = 3 In of MODEL 2 1 H ILE 11 H ILE 11 -50.458 -25.040 22.181 2 HA ILE 11 HA ILE 11 -53.395 -24.980 21.894 3 HB ILE 11 HB ILE 11 -52.243 -26.931 23.900 4 HG12 ILE 11 HG12 ILE 11 -51.619 -27.582 21.511 5 HG13 ILE 11 HG13 ILE 11 -52.602 -28.756 22.379 6 HG21 ILE 11 HG21 ILE 11 -54.987 -26.333 22.735 7 HG23 ILE 11 HG22 ILE 11 -54.489 -26.310 24.425 8 HG22 ILE 11 HG23 ILE 11 -54.644 -27.841 23.568 9 HD13 ILE 11 HD11 ILE 11 -54.360 -28.545 20.943 10 HD12 ILE 11 HD12 ILE 11 -53.223 -27.743 19.857 11 HD11 ILE 11 HD13 ILE 11 -54.242 -26.785 20.927 No H/Q in entry = 11 In of MODEL 2 1 H ALA 12 H ALA 12 -54.399 -23.958 23.759 2 HA ALA 12 HA ALA 12 -52.649 -23.178 25.995 3 HB3 ALA 12 HB1 ALA 12 -53.903 -20.876 24.575 4 HB2 ALA 12 HB2 ALA 12 -52.430 -21.562 23.888 5 HB1 ALA 12 HB3 ALA 12 -52.428 -20.935 25.537 No H/Q in entry = 5 In of MODEL 2 1 H PHE 13 H PHE 13 -53.795 -22.198 27.743 2 HA PHE 13 HA PHE 13 -56.783 -22.177 27.539 3 HB2 PHE 13 HB2 PHE 13 -55.329 -23.191 29.993 4 HB3 PHE 13 HB3 PHE 13 -57.021 -23.405 29.553 5 HD1 PHE 13 HD1 PHE 13 -53.553 -24.232 28.363 6 HD2 PHE 13 HD2 PHE 13 -57.695 -25.416 28.529 7 HE1 PHE 13 HE1 PHE 13 -52.979 -26.411 27.308 8 HE2 PHE 13 HE2 PHE 13 -57.116 -27.587 27.469 9 HZ PHE 13 HZ PHE 13 -54.760 -28.085 26.862 No H/Q in entry = 9 In of MODEL 2 1 H GLY 14 H GLY 14 -57.546 -20.148 28.329 2 HA3 GLY 14 HA2 GLY 14 -56.520 -18.966 30.707 3 HA2 GLY 14 HA3 GLY 14 -55.727 -18.207 29.330 No H/Q in entry = 3 In of MODEL 2 1 H LYS 15 H LYS 15 -57.084 -16.490 30.681 2 HA LYS 15 HA LYS 15 -59.912 -16.293 29.939 3 HB2 LYS 15 HB2 LYS 15 -58.027 -14.347 31.281 4 HB3 LYS 15 HB3 LYS 15 -59.738 -14.019 31.004 5 HG2 LYS 15 HG2 LYS 15 -60.330 -16.036 32.302 6 HG3 LYS 15 HG3 LYS 15 -58.617 -16.351 32.582 7 HD2 LYS 15 HD2 LYS 15 -58.407 -14.196 33.761 8 HD3 LYS 15 HD3 LYS 15 -60.118 -13.871 33.483 9 HE2 LYS 15 HE2 LYS 15 -60.677 -15.955 34.738 10 HE3 LYS 15 HE3 LYS 15 -58.963 -16.179 35.081 11 HZ2 LYS 15 HZ1 LYS 15 -60.624 -13.853 35.892 12 HZ1 LYS 15 HZ2 LYS 15 -58.958 -14.012 36.184 13 HZ3 LYS 15 HZ3 LYS 15 -60.056 -15.082 36.915 No H/Q in entry = 13 In of MODEL 2 1 H ALA 16 H ALA 16 -60.769 -14.467 28.657 2 HA ALA 16 HA ALA 16 -58.932 -13.860 26.366 3 HB3 ALA 16 HB1 ALA 16 -61.866 -13.327 26.163 4 HB1 ALA 16 HB2 ALA 16 -61.361 -15.014 26.296 5 HB2 ALA 16 HB3 ALA 16 -60.752 -14.013 24.977 No H/Q in entry = 5 In of MODEL 2 1 H LEU 17 H LEU 17 -58.265 -11.838 26.000 2 HA LEU 17 HA LEU 17 -59.470 -9.614 27.581 3 HB2 LEU 17 HB2 LEU 17 -57.002 -9.948 27.749 4 HB3 LEU 17 HB3 LEU 17 -56.872 -9.725 26.009 5 HG LEU 17 HG LEU 17 -57.810 -7.442 26.239 6 HD12 LEU 17 HD11 LEU 17 -57.731 -6.563 28.704 7 HD11 LEU 17 HD12 LEU 17 -57.900 -8.264 29.142 8 HD13 LEU 17 HD13 LEU 17 -59.148 -7.465 28.180 9 HD22 LEU 17 HD21 LEU 17 -55.372 -7.762 26.270 10 HD21 LEU 17 HD22 LEU 17 -55.416 -8.042 28.009 11 HD23 LEU 17 HD23 LEU 17 -55.823 -6.455 27.362 No H/Q in entry = 11 In of MODEL 2 1 H LEU 18 H LEU 18 -60.581 -7.978 26.479 2 HA LEU 18 HA LEU 18 -60.648 -8.165 23.484 3 HB2 LEU 18 HB2 LEU 18 -62.773 -8.809 24.583 4 HB3 LEU 18 HB3 LEU 18 -62.816 -7.252 25.399 5 HG LEU 18 HG LEU 18 -62.923 -6.102 23.220 6 HD12 LEU 18 HD11 LEU 18 -63.511 -7.730 21.237 7 HD11 LEU 18 HD12 LEU 18 -62.622 -8.916 22.195 8 HD13 LEU 18 HD13 LEU 18 -61.826 -7.437 21.649 9 HD22 LEU 18 HD21 LEU 18 -65.207 -6.472 22.910 10 HD21 LEU 18 HD22 LEU 18 -64.981 -7.185 24.503 11 HD23 LEU 18 HD23 LEU 18 -65.059 -8.218 23.082 No H/Q in entry = 11 In of MODEL 2 1 H LEU 19 H LEU 19 -59.801 -6.468 22.489 2 HA LEU 19 HA LEU 19 -59.281 -3.959 23.972 3 HB2 LEU 19 HB2 LEU 19 -58.653 -4.545 21.069 4 HB3 LEU 19 HB3 LEU 19 -57.938 -3.299 22.092 5 HG LEU 19 HG LEU 19 -57.582 -6.297 22.312 6 HD12 LEU 19 HD11 LEU 19 -55.505 -4.111 22.118 7 HD11 LEU 19 HD12 LEU 19 -56.198 -4.879 20.693 8 HD13 LEU 19 HD13 LEU 19 -55.287 -5.840 21.854 9 HD22 LEU 19 HD21 LEU 19 -57.759 -5.644 24.577 10 HD21 LEU 19 HD22 LEU 19 -56.977 -4.088 24.284 11 HD23 LEU 19 HD23 LEU 19 -56.025 -5.573 24.265 No H/Q in entry = 11 In of MODEL 2 1 H LYS 20 H LYS 20 -61.123 -2.738 24.172 2 HA LYS 20 HA LYS 20 -62.898 -2.337 21.808 3 HB2 LYS 20 HB2 LYS 20 -63.131 -1.512 24.722 4 HB3 LYS 20 HB3 LYS 20 -64.329 -1.138 23.484 5 HG2 LYS 20 HG2 LYS 20 -64.892 -3.424 23.180 6 HG3 LYS 20 HG3 LYS 20 -63.463 -3.976 24.059 7 HD2 LYS 20 HD2 LYS 20 -64.346 -3.402 26.145 8 HD3 LYS 20 HD3 LYS 20 -65.460 -2.212 25.475 9 HE2 LYS 20 HE2 LYS 20 -66.688 -4.181 24.383 10 HE3 LYS 20 HE3 LYS 20 -65.705 -5.221 25.409 11 HZ2 LYS 20 HZ1 LYS 20 -67.868 -4.661 26.390 12 HZ1 LYS 20 HZ2 LYS 20 -67.428 -3.023 26.404 13 HZ3 LYS 20 HZ3 LYS 20 -66.563 -4.137 27.344 No H/Q in entry = 13 In of MODEL 2 1 H GLU 21 H GLU 21 -62.897 -0.439 20.692 2 HA GLU 21 HA GLU 21 -61.498 1.886 21.854 3 HB2 GLU 21 HB2 GLU 21 -61.299 1.087 18.949 4 HB3 GLU 21 HB3 GLU 21 -60.383 2.338 19.788 5 HG2 GLU 21 HG2 GLU 21 -59.582 0.394 21.326 6 HG3 GLU 21 HG3 GLU 21 -60.131 -0.652 20.017 No H/Q in entry = 6 In of MODEL 2 1 H ASP 22 H ASP 22 -62.643 3.717 21.763 2 HA ASP 22 HA ASP 22 -65.262 3.712 20.549 3 HB2 ASP 22 HB2 ASP 22 -63.832 6.073 21.775 4 HB3 ASP 22 HB3 ASP 22 -65.569 5.826 21.605 No H/Q in entry = 4 In of MODEL 2 1 H GLU 23 H GLU 23 -65.995 5.100 18.904 2 HA GLU 23 HA GLU 23 -64.155 5.505 16.762 3 HB2 GLU 23 HB2 GLU 23 -67.015 6.405 17.161 4 HB3 GLU 23 HB3 GLU 23 -66.112 6.617 15.658 5 HG2 GLU 23 HG2 GLU 23 -66.552 3.941 17.010 6 HG3 GLU 23 HG3 GLU 23 -67.539 4.553 15.683 No H/Q in entry = 6 In of MODEL 2 1 H ILE 24 H ILE 24 -63.154 7.329 16.052 2 HA ILE 24 HA ILE 24 -62.927 9.531 17.913 3 HB ILE 24 HB ILE 24 -61.710 9.256 15.158 4 HG12 ILE 24 HG12 ILE 24 -60.557 8.454 17.848 5 HG13 ILE 24 HG13 ILE 24 -61.195 7.317 16.659 6 HG23 ILE 24 HG21 ILE 24 -60.150 10.906 15.907 7 HG22 ILE 24 HG22 ILE 24 -60.714 10.781 17.574 8 HG21 ILE 24 HG23 ILE 24 -61.743 11.518 16.345 9 HD11 ILE 24 HD11 ILE 24 -58.926 9.264 16.151 10 HD13 ILE 24 HD12 ILE 24 -59.538 8.059 15.016 11 HD12 ILE 24 HD13 ILE 24 -58.725 7.546 16.496 No H/Q in entry = 11 In of MODEL 2 1 H VAL 25 H VAL 25 -64.163 11.291 17.897 2 HA VAL 25 HA VAL 25 -65.928 11.799 15.631 3 HB VAL 25 HB VAL 25 -65.711 13.196 18.310 4 HG13 VAL 25 HG11 VAL 25 -66.728 14.657 16.673 5 HG12 VAL 25 HG12 VAL 25 -68.020 13.990 17.672 6 HG11 VAL 25 HG13 VAL 25 -67.733 13.346 16.054 7 HG23 VAL 25 HG21 VAL 25 -67.760 11.183 17.335 8 HG22 VAL 25 HG22 VAL 25 -67.619 11.859 18.959 9 HG21 VAL 25 HG23 VAL 25 -66.382 10.755 18.353 No H/Q in entry = 9 In of MODEL 2 1 H ILE 26 H ILE 26 -65.655 13.379 14.170 2 HA ILE 26 HA ILE 26 -63.455 15.308 14.630 3 HB ILE 26 HB ILE 26 -64.459 14.262 11.972 4 HG12 ILE 26 HG12 ILE 26 -63.367 12.472 13.246 5 HG13 ILE 26 HG13 ILE 26 -62.305 13.010 11.942 6 HG22 ILE 26 HG21 ILE 26 -62.309 15.299 11.183 7 HG21 ILE 26 HG22 ILE 26 -62.112 15.997 12.790 8 HG23 ILE 26 HG23 ILE 26 -63.479 16.472 11.782 9 HD11 ILE 26 HD11 ILE 26 -61.383 14.664 13.779 10 HD13 ILE 26 HD12 ILE 26 -60.824 12.992 13.739 11 HD12 ILE 26 HD13 ILE 26 -62.062 13.480 14.894 No H/Q in entry = 11 In of MODEL 2 1 H ASP 27 H ASP 27 -64.035 17.376 14.736 2 HA ASP 27 HA ASP 27 -66.767 18.135 14.037 3 HB2 ASP 27 HB2 ASP 27 -64.703 20.004 15.168 4 HB3 ASP 27 HB3 ASP 27 -66.454 20.023 15.379 No H/Q in entry = 4 In of MODEL 2 1 H ARG 28 H ARG 28 -67.237 18.954 12.109 2 HA ARG 28 HA ARG 28 -65.087 19.990 10.413 3 HB2 ARG 28 HB2 ARG 28 -67.914 19.091 9.919 4 HB3 ARG 28 HB3 ARG 28 -67.059 20.064 8.723 5 HG2 ARG 28 HG2 ARG 28 -66.046 18.197 7.986 6 HG3 ARG 28 HG3 ARG 28 -65.245 18.055 9.553 7 HD2 ARG 28 HD2 ARG 28 -67.638 17.066 10.243 8 HD3 ARG 28 HD3 ARG 28 -67.676 16.661 8.527 9 HE ARG 28 HE ARG 28 -65.987 15.463 10.545 10 HH21 ARG 28 HH11 ARG 28 -64.642 13.781 9.819 11 HH22 ARG 28 HH12 ARG 28 -64.382 13.557 8.122 12 HH11 ARG 28 HH21 ARG 28 -66.405 16.217 7.193 13 HH12 ARG 28 HH22 ARG 28 -65.380 14.937 6.635 No H/Q in entry = 13 In of MODEL 2 1 H LYS 29 H LYS 29 -66.598 21.357 12.780 2 HA LYS 29 HA LYS 29 -67.922 23.606 11.580 3 HB2 LYS 29 HB2 LYS 29 -66.821 23.300 14.384 4 HB3 LYS 29 HB3 LYS 29 -67.984 24.510 13.844 5 HG2 LYS 29 HG2 LYS 29 -69.295 22.326 13.016 6 HG3 LYS 29 HG3 LYS 29 -68.376 21.591 14.334 7 HD2 LYS 29 HD2 LYS 29 -69.291 23.970 15.441 8 HD3 LYS 29 HD3 LYS 29 -70.652 23.424 14.457 9 HE2 LYS 29 HE2 LYS 29 -70.411 21.153 15.531 10 HE3 LYS 29 HE3 LYS 29 -69.221 21.861 16.624 11 HZ1 LYS 29 HZ1 LYS 29 -71.312 23.593 16.734 12 HZ3 LYS 29 HZ2 LYS 29 -70.958 22.394 17.885 13 HZ2 LYS 29 HZ3 LYS 29 -72.080 22.084 16.647 No H/Q in entry = 13 In of MODEL 2 1 H LYS 30 H LYS 30 -66.950 25.235 10.578 2 HA LYS 30 HA LYS 30 -64.165 25.612 10.465 3 HB2 LYS 30 HB2 LYS 30 -66.180 27.804 9.981 4 HB3 LYS 30 HB3 LYS 30 -64.622 27.556 9.191 5 HG2 LYS 30 HG2 LYS 30 -65.882 25.185 8.646 6 HG3 LYS 30 HG3 LYS 30 -67.237 26.312 8.622 7 HD2 LYS 30 HD2 LYS 30 -65.745 27.797 7.133 8 HD3 LYS 30 HD3 LYS 30 -64.732 26.366 6.938 9 HE2 LYS 30 HE2 LYS 30 -66.815 25.113 6.217 10 HE3 LYS 30 HE3 LYS 30 -67.652 26.666 6.188 11 HZ2 LYS 30 HZ1 LYS 30 -66.433 25.698 4.076 12 HZ1 LYS 30 HZ2 LYS 30 -65.100 26.481 4.780 13 HZ3 LYS 30 HZ3 LYS 30 -66.496 27.364 4.386 No H/Q in entry = 13 In of MODEL 2 1 H ILE 31 H ILE 31 -62.789 27.079 11.459 2 HA ILE 31 HA ILE 31 -63.781 28.168 14.015 3 HB ILE 31 HB ILE 31 -61.540 28.053 14.815 4 HG12 ILE 31 HG12 ILE 31 -60.763 27.475 11.937 5 HG13 ILE 31 HG13 ILE 31 -60.419 28.960 12.824 6 HG23 ILE 31 HG21 ILE 31 -61.813 25.834 15.072 7 HG22 ILE 31 HG22 ILE 31 -61.088 25.583 13.483 8 HG21 ILE 31 HG23 ILE 31 -62.837 25.773 13.634 9 HD12 ILE 31 HD11 ILE 31 -58.504 27.285 12.720 10 HD11 ILE 31 HD12 ILE 31 -59.475 26.240 13.756 11 HD13 ILE 31 HD13 ILE 31 -58.951 27.821 14.341 No H/Q in entry = 11 In of MODEL 2 1 H SER 32 H SER 32 -63.233 30.288 14.650 2 HA SER 32 HA SER 32 -63.118 32.171 12.454 3 HB2 SER 32 HB2 SER 32 -64.478 33.103 14.029 4 HB3 SER 32 HB3 SER 32 -63.682 32.268 15.360 5 HG SER 32 HG SER 32 -62.714 34.098 15.679 No H/Q in entry = 5 In of MODEL 2 1 H ALA 33 H ALA 33 -61.635 34.118 12.737 2 HA ALA 33 HA ALA 33 -58.914 33.292 12.498 3 HB1 ALA 33 HB1 ALA 33 -59.709 36.092 13.303 4 HB2 ALA 33 HB2 ALA 33 -59.990 35.486 11.673 5 HB3 ALA 33 HB3 ALA 33 -58.347 35.580 12.307 No H/Q in entry = 5 In of MODEL 2 1 H ASP 34 H ASP 34 -60.545 34.940 15.245 2 HA ASP 34 HA ASP 34 -58.303 35.033 16.958 3 HB2 ASP 34 HB2 ASP 34 -61.272 34.899 17.406 4 HB3 ASP 34 HB3 ASP 34 -60.215 34.674 18.798 No H/Q in entry = 4 In of MODEL 2 1 H GLN 35 H GLN 35 -60.348 32.323 16.076 2 HA GLN 35 HA GLN 35 -59.261 30.580 18.161 3 HB2 GLN 35 HB2 GLN 35 -61.150 30.246 15.844 4 HB3 GLN 35 HB3 GLN 35 -60.535 28.830 16.705 5 HG2 GLN 35 HG2 GLN 35 -61.468 29.611 18.780 6 HG3 GLN 35 HG3 GLN 35 -61.883 31.173 18.073 7 HE21 GLN 35 HE21 GLN 35 -63.946 29.728 19.246 8 HE22 GLN 35 HE22 GLN 35 -64.966 29.090 18.047 No H/Q in entry = 8 In of MODEL 2 1 H VAL 36 H VAL 36 -58.147 31.633 15.104 2 HA VAL 36 HA VAL 36 -56.915 29.213 14.186 3 HB VAL 36 HB VAL 36 -56.294 32.143 13.733 4 HG12 VAL 36 HG11 VAL 36 -54.777 31.290 11.892 5 HG11 VAL 36 HG12 VAL 36 -54.863 29.702 12.654 6 HG13 VAL 36 HG13 VAL 36 -54.153 31.062 13.522 7 HG22 VAL 36 HG21 VAL 36 -57.264 31.773 11.586 8 HG21 VAL 36 HG22 VAL 36 -58.335 30.956 12.724 9 HG23 VAL 36 HG23 VAL 36 -57.184 30.020 11.770 No H/Q in entry = 9 In of MODEL 2 1 H ASP 37 H ASP 37 -55.569 31.933 16.070 2 HA ASP 37 HA ASP 37 -53.051 30.733 16.559 3 HB2 ASP 37 HB2 ASP 37 -54.644 32.753 18.153 4 HB3 ASP 37 HB3 ASP 37 -52.992 32.291 18.560 No H/Q in entry = 4 In of MODEL 2 1 H GLN 38 H GLN 38 -56.104 30.508 18.378 2 HA GLN 38 HA GLN 38 -54.940 29.031 20.560 3 HB2 GLN 38 HB2 GLN 38 -57.812 29.104 19.609 4 HB3 GLN 38 HB3 GLN 38 -57.266 28.433 21.146 5 HG2 GLN 38 HG2 GLN 38 -56.155 30.836 21.438 6 HG3 GLN 38 HG3 GLN 38 -57.385 31.302 20.256 7 HE21 GLN 38 HE21 GLN 38 -57.057 31.700 23.347 8 HE22 GLN 38 HE22 GLN 38 -58.585 31.272 23.955 No H/Q in entry = 8 In of MODEL 2 1 H GLU 39 H GLU 39 -56.523 27.972 17.545 2 HA GLU 39 HA GLU 39 -56.542 25.195 18.264 3 HB2 GLU 39 HB2 GLU 39 -56.568 26.585 15.581 4 HB3 GLU 39 HB3 GLU 39 -56.707 24.834 15.761 5 HG2 GLU 39 HG2 GLU 39 -58.518 26.785 17.201 6 HG3 GLU 39 HG3 GLU 39 -58.919 26.086 15.642 No H/Q in entry = 6 In of MODEL 2 1 H VAL 40 H VAL 40 -54.093 27.196 16.596 2 HA VAL 40 HA VAL 40 -52.355 25.032 15.948 3 HB VAL 40 HB VAL 40 -51.819 27.959 16.550 4 HG12 VAL 40 HG11 VAL 40 -49.626 27.278 15.187 5 HG11 VAL 40 HG12 VAL 40 -49.942 25.697 15.906 6 HG13 VAL 40 HG13 VAL 40 -49.690 27.104 16.940 7 HG22 VAL 40 HG21 VAL 40 -51.746 28.193 14.168 8 HG21 VAL 40 HG22 VAL 40 -53.175 27.218 14.510 9 HG23 VAL 40 HG23 VAL 40 -51.700 26.447 13.924 No H/Q in entry = 9 In of MODEL 2 1 H GLU 41 H GLU 41 -52.532 27.124 18.838 2 HA GLU 41 HA GLU 41 -50.391 25.903 20.263 3 HB2 GLU 41 HB2 GLU 41 -51.512 28.030 20.934 4 HB3 GLU 41 HB3 GLU 41 -52.934 27.107 21.410 5 HG2 GLU 41 HG2 GLU 41 -51.582 27.537 23.389 6 HG3 GLU 41 HG3 GLU 41 -51.491 25.817 23.011 No H/Q in entry = 6 In of MODEL 2 1 H ARG 42 H ARG 42 -53.857 25.059 20.114 2 HA ARG 42 HA ARG 42 -53.744 22.970 22.061 3 HB2 ARG 42 HB2 ARG 42 -55.528 23.314 19.634 4 HB3 ARG 42 HB3 ARG 42 -55.724 21.999 20.790 5 HG2 ARG 42 HG2 ARG 42 -55.929 23.702 22.615 6 HG3 ARG 42 HG3 ARG 42 -55.882 24.968 21.393 7 HD2 ARG 42 HD2 ARG 42 -57.905 24.111 20.355 8 HD3 ARG 42 HD3 ARG 42 -57.916 22.722 21.433 9 HE ARG 42 HE ARG 42 -57.976 24.915 23.142 10 HH21 ARG 42 HH11 ARG 42 -59.923 25.805 23.881 11 HH22 ARG 42 HH12 ARG 42 -61.361 25.614 22.937 12 HH11 ARG 42 HH21 ARG 42 -59.802 23.798 20.432 13 HH12 ARG 42 HH22 ARG 42 -61.290 24.479 20.988 No H/Q in entry = 13 In of MODEL 2 1 H PHE 43 H PHE 43 -53.201 22.960 18.556 2 HA PHE 43 HA PHE 43 -52.662 20.169 18.291 3 HB2 PHE 43 HB2 PHE 43 -53.009 21.639 16.338 4 HB3 PHE 43 HB3 PHE 43 -51.528 22.518 16.729 5 HD1 PHE 43 HD1 PHE 43 -52.883 19.211 15.680 6 HD2 PHE 43 HD2 PHE 43 -49.375 21.666 16.145 7 HE1 PHE 43 HE1 PHE 43 -51.550 17.560 14.392 8 HE2 PHE 43 HE2 PHE 43 -48.042 20.006 14.859 9 HZ PHE 43 HZ PHE 43 -49.130 17.950 13.988 No H/Q in entry = 9 In of MODEL 2 1 H LEU 44 H LEU 44 -50.455 22.942 18.806 2 HA LEU 44 HA LEU 44 -48.079 21.388 19.034 3 HB2 LEU 44 HB2 LEU 44 -48.056 23.830 18.709 4 HB3 LEU 44 HB3 LEU 44 -48.799 24.060 20.286 5 HG LEU 44 HG LEU 44 -46.759 22.926 21.300 6 HD12 LEU 44 HD11 LEU 44 -44.689 23.054 19.756 7 HD11 LEU 44 HD12 LEU 44 -45.835 23.114 18.425 8 HD13 LEU 44 HD13 LEU 44 -45.803 21.714 19.488 9 HD23 LEU 44 HD21 LEU 44 -45.271 24.950 20.891 10 HD22 LEU 44 HD22 LEU 44 -46.910 25.317 21.435 11 HD21 LEU 44 HD23 LEU 44 -46.481 25.502 19.733 No H/Q in entry = 11 In of MODEL 2 1 H SER 45 H SER 45 -50.408 22.511 21.506 2 HA SER 45 HA SER 45 -49.003 21.378 23.740 3 HB2 SER 45 HB2 SER 45 -50.805 23.022 24.017 4 HB3 SER 45 HB3 SER 45 -51.970 21.858 23.396 5 HG SER 45 HG SER 45 -50.444 21.755 25.781 No H/Q in entry = 5 In of MODEL 2 1 H GLY 46 H GLY 46 -51.580 20.089 21.639 2 HA3 GLY 46 HA2 GLY 46 -51.755 17.541 23.004 3 HA2 GLY 46 HA3 GLY 46 -52.365 17.880 21.380 No H/Q in entry = 3 In of MODEL 2 1 H ARG 47 H ARG 47 -49.940 18.756 20.215 2 HA ARG 47 HA ARG 47 -48.730 16.254 19.484 3 HB2 ARG 47 HB2 ARG 47 -48.810 18.294 18.031 4 HB3 ARG 47 HB3 ARG 47 -47.668 19.074 19.122 5 HG2 ARG 47 HG2 ARG 47 -46.964 16.390 18.015 6 HG3 ARG 47 HG3 ARG 47 -46.812 17.800 16.962 7 HD2 ARG 47 HD2 ARG 47 -45.723 18.407 19.551 8 HD3 ARG 47 HD3 ARG 47 -45.004 16.919 18.976 9 HE ARG 47 HE ARG 47 -45.222 19.519 17.366 10 HH21 ARG 47 HH11 ARG 47 -43.438 20.128 16.215 11 HH22 ARG 47 HH12 ARG 47 -41.989 19.185 16.315 12 HH11 ARG 47 HH21 ARG 47 -43.319 16.888 18.541 13 HH12 ARG 47 HH22 ARG 47 -41.922 17.358 17.636 No H/Q in entry = 13 In of MODEL 2 1 H ALA 48 H ALA 48 -48.022 18.755 21.834 2 HA ALA 48 HA ALA 48 -45.351 18.012 22.472 3 HB1 ALA 48 HB1 ALA 48 -46.631 20.110 23.275 4 HB3 ALA 48 HB2 ALA 48 -45.652 19.291 24.495 5 HB2 ALA 48 HB3 ALA 48 -47.398 19.058 24.465 No H/Q in entry = 5 In of MODEL 2 1 H LYS 49 H LYS 49 -48.472 16.782 23.688 2 HA LYS 49 HA LYS 49 -47.303 15.023 25.630 3 HB2 LYS 49 HB2 LYS 49 -49.788 15.717 25.269 4 HB3 LYS 49 HB3 LYS 49 -49.828 14.351 24.157 5 HG2 LYS 49 HG2 LYS 49 -49.106 12.830 25.924 6 HG3 LYS 49 HG3 LYS 49 -48.915 14.165 27.050 7 HD2 LYS 49 HD2 LYS 49 -51.373 14.573 26.987 8 HD3 LYS 49 HD3 LYS 49 -51.568 13.264 25.832 9 HE2 LYS 49 HE2 LYS 49 -52.139 12.699 28.237 10 HE3 LYS 49 HE3 LYS 49 -50.961 11.624 27.487 11 HZ1 LYS 49 HZ1 LYS 49 -50.191 13.975 29.108 12 HZ3 LYS 49 HZ2 LYS 49 -49.206 12.678 28.614 13 HZ2 LYS 49 HZ3 LYS 49 -50.419 12.430 29.773 No H/Q in entry = 13 In of MODEL 2 1 H ALA 50 H ALA 50 -48.893 13.891 22.602 2 HA ALA 50 HA ALA 50 -47.836 11.430 22.356 3 HB3 ALA 50 HB1 ALA 50 -47.607 13.117 19.897 4 HB2 ALA 50 HB2 ALA 50 -49.194 12.916 20.631 5 HB1 ALA 50 HB3 ALA 50 -48.288 11.508 20.086 No H/Q in entry = 5 In of MODEL 2 1 H SER 51 H SER 51 -45.942 14.385 21.802 2 HA SER 51 HA SER 51 -43.688 13.126 20.606 3 HB2 SER 51 HB2 SER 51 -43.726 15.527 20.675 4 HB3 SER 51 HB3 SER 51 -43.911 15.538 22.428 5 HG SER 51 HG SER 51 -41.750 15.943 21.739 No H/Q in entry = 5 In of MODEL 2 1 H ALA 52 H ALA 52 -44.232 13.935 24.033 2 HA ALA 52 HA ALA 52 -41.997 12.389 24.960 3 HB3 ALA 52 HB1 ALA 52 -44.449 13.334 26.457 4 HB1 ALA 52 HB2 ALA 52 -42.958 14.248 26.245 5 HB2 ALA 52 HB3 ALA 52 -42.952 12.761 27.192 No H/Q in entry = 5 In of MODEL 2 1 H GLN 53 H GLN 53 -45.479 11.598 24.722 2 HA GLN 53 HA GLN 53 -45.210 9.077 26.101 3 HB2 GLN 53 HB2 GLN 53 -47.403 10.248 25.700 4 HB3 GLN 53 HB3 GLN 53 -47.300 9.749 24.014 5 HG2 GLN 53 HG2 GLN 53 -47.252 7.395 24.674 6 HG3 GLN 53 HG3 GLN 53 -47.242 7.853 26.377 7 HE21 GLN 53 HE21 GLN 53 -49.338 6.228 25.267 8 HE22 GLN 53 HE22 GLN 53 -50.780 7.123 25.311 No H/Q in entry = 8 In of MODEL 2 1 H LEU 54 H LEU 54 -45.022 9.945 22.644 2 HA LEU 54 HA LEU 54 -44.793 7.255 21.685 3 HB2 LEU 54 HB2 LEU 54 -43.567 8.340 19.734 4 HB3 LEU 54 HB3 LEU 54 -45.187 8.964 20.043 5 HG LEU 54 HG LEU 54 -43.881 10.690 21.579 6 HD11 LEU 54 HD11 LEU 54 -41.787 9.686 19.634 7 HD13 LEU 54 HD12 LEU 54 -41.681 9.733 21.394 8 HD12 LEU 54 HD13 LEU 54 -41.668 11.234 20.471 9 HD23 LEU 54 HD21 LEU 54 -43.451 12.086 19.392 10 HD22 LEU 54 HD22 LEU 54 -45.107 11.622 19.783 11 HD21 LEU 54 HD23 LEU 54 -44.199 10.716 18.573 No H/Q in entry = 11 In of MODEL 2 1 H GLU 55 H GLU 55 -42.405 9.577 22.858 2 HA GLU 55 HA GLU 55 -40.084 8.030 22.280 3 HB2 GLU 55 HB2 GLU 55 -40.055 10.425 22.984 4 HB3 GLU 55 HB3 GLU 55 -40.504 9.915 24.612 5 HG2 GLU 55 HG2 GLU 55 -38.464 8.618 24.827 6 HG3 GLU 55 HG3 GLU 55 -38.034 8.951 23.147 No H/Q in entry = 6 In of MODEL 2 1 H THR 56 H THR 56 -42.305 7.993 25.054 2 HA THR 56 HA THR 56 -40.751 6.257 26.705 3 HB THR 56 HB THR 56 -42.971 5.747 27.792 4 HG1 THR 56 HG1 THR 56 -44.129 7.649 26.117 5 HG22 THR 56 HG21 THR 56 -43.015 8.698 27.334 6 HG21 THR 56 HG22 THR 56 -41.528 8.036 28.007 7 HG23 THR 56 HG23 THR 56 -43.057 7.810 28.853 No H/Q in entry = 7 In of MODEL 2 1 H ILE 57 H ILE 57 -43.200 5.607 24.209 2 HA ILE 57 HA ILE 57 -43.298 2.775 24.562 3 HB ILE 57 HB ILE 57 -43.783 4.447 22.078 4 HG12 ILE 57 HG12 ILE 57 -45.724 3.193 24.048 5 HG13 ILE 57 HG13 ILE 57 -45.204 4.877 24.132 6 HG23 ILE 57 HG21 ILE 57 -43.420 2.194 21.349 7 HG22 ILE 57 HG22 ILE 57 -45.170 2.390 21.448 8 HG21 ILE 57 HG23 ILE 57 -44.305 1.536 22.726 9 HD12 ILE 57 HD11 ILE 57 -46.980 3.533 22.098 10 HD11 ILE 57 HD12 ILE 57 -46.025 4.923 21.580 11 HD13 ILE 57 HD13 ILE 57 -47.190 5.094 22.892 No H/Q in entry = 11 In of MODEL 2 1 H LYS 58 H LYS 58 -41.186 4.846 22.615 2 HA LYS 58 HA LYS 58 -39.843 2.887 21.090 3 HB2 LYS 58 HB2 LYS 58 -39.540 5.283 20.722 4 HB3 LYS 58 HB3 LYS 58 -38.859 5.475 22.331 5 HG2 LYS 58 HG2 LYS 58 -37.574 3.644 20.297 6 HG3 LYS 58 HG3 LYS 58 -37.205 5.360 20.345 7 HD2 LYS 58 HD2 LYS 58 -36.960 4.699 22.990 8 HD3 LYS 58 HD3 LYS 58 -36.414 3.211 22.221 9 HE2 LYS 58 HE2 LYS 58 -34.552 4.843 22.645 10 HE3 LYS 58 HE3 LYS 58 -34.728 4.438 20.939 11 HZ3 LYS 58 HZ1 LYS 58 -35.273 6.521 20.440 12 HZ2 LYS 58 HZ2 LYS 58 -34.708 6.941 21.986 13 HZ1 LYS 58 HZ3 LYS 58 -36.363 6.655 21.735 No H/Q in entry = 13 In of MODEL 2 1 H THR 59 H THR 59 -38.923 4.241 24.271 2 HA THR 59 HA THR 59 -36.631 2.656 24.669 3 HB THR 59 HB THR 59 -36.955 3.165 27.093 4 HG1 THR 59 HG1 THR 59 -38.832 4.367 27.615 5 HG23 THR 59 HG21 THR 59 -36.743 5.539 26.899 6 HG22 THR 59 HG22 THR 59 -37.701 5.582 25.416 7 HG21 THR 59 HG23 THR 59 -36.082 4.883 25.400 No H/Q in entry = 7 In of MODEL 2 1 H LYS 60 H LYS 60 -40.026 1.866 25.264 2 HA LYS 60 HA LYS 60 -39.471 -0.541 26.768 3 HB2 LYS 60 HB2 LYS 60 -41.855 0.689 25.498 4 HB3 LYS 60 HB3 LYS 60 -41.901 -1.064 25.695 5 HG2 LYS 60 HG2 LYS 60 -42.830 0.010 27.689 6 HG3 LYS 60 HG3 LYS 60 -41.309 -0.791 28.088 7 HD2 LYS 60 HD2 LYS 60 -40.107 1.297 28.043 8 HD3 LYS 60 HD3 LYS 60 -41.507 2.142 27.376 9 HE2 LYS 60 HE2 LYS 60 -41.454 2.645 29.729 10 HE3 LYS 60 HE3 LYS 60 -42.771 1.501 29.475 11 HZ3 LYS 60 HZ1 LYS 60 -41.683 0.553 31.234 12 HZ2 LYS 60 HZ2 LYS 60 -40.149 1.075 30.721 13 HZ1 LYS 60 HZ3 LYS 60 -40.905 -0.229 29.944 No H/Q in entry = 13 In of MODEL 2 1 H ALA 61 H ALA 61 -39.935 0.183 23.352 2 HA ALA 61 HA ALA 61 -40.019 -2.533 22.444 3 HB3 ALA 61 HB1 ALA 61 -40.241 0.006 21.285 4 HB1 ALA 61 HB2 ALA 61 -40.299 -1.533 20.430 5 HB2 ALA 61 HB3 ALA 61 -38.772 -0.660 20.568 No H/Q in entry = 5 In of MODEL 2 1 H GLY 62 H GLY 62 -37.338 -0.212 22.822 2 HA3 GLY 62 HA2 GLY 62 -35.291 -1.860 21.767 3 HA2 GLY 62 HA3 GLY 62 -35.033 -0.569 22.934 No H/Q in entry = 3 In of MODEL 2 1 H GLU 63 H GLU 63 -36.276 -1.458 25.185 2 HA GLU 63 HA GLU 63 -34.460 -3.507 26.094 3 HB2 GLU 63 HB2 GLU 63 -35.457 -1.696 27.534 4 HB3 GLU 63 HB3 GLU 63 -36.992 -2.558 27.455 5 HG2 GLU 63 HG2 GLU 63 -35.957 -4.547 28.446 6 HG3 GLU 63 HG3 GLU 63 -34.396 -3.724 28.492 No H/Q in entry = 6 In of MODEL 2 1 H THR 64 H THR 64 -37.974 -3.504 25.405 2 HA THR 64 HA THR 64 -38.435 -6.202 26.130 3 HB THR 64 HB THR 64 -39.885 -4.475 24.104 4 HG1 THR 64 HG1 THR 64 -40.471 -3.403 25.787 5 HG21 THR 64 HG21 THR 64 -40.286 -7.178 24.984 6 HG23 THR 64 HG22 THR 64 -41.240 -6.243 23.830 7 HG22 THR 64 HG23 THR 64 -41.624 -6.181 25.553 No H/Q in entry = 7 In of MODEL 2 1 H PHE 65 H PHE 65 -38.333 -4.915 22.767 2 HA PHE 65 HA PHE 65 -37.759 -7.678 21.832 3 HB2 PHE 65 HB2 PHE 65 -38.897 -5.214 20.621 4 HB3 PHE 65 HB3 PHE 65 -38.043 -6.319 19.547 5 HD1 PHE 65 HD1 PHE 65 -41.091 -5.702 21.365 6 HD2 PHE 65 HD2 PHE 65 -38.700 -8.820 19.595 7 HE1 PHE 65 HE1 PHE 65 -43.061 -7.222 21.370 8 HE2 PHE 65 HE2 PHE 65 -40.671 -10.334 19.600 9 HZ PHE 65 HZ PHE 65 -42.849 -9.533 20.487 No H/Q in entry = 9 In of MODEL 2 1 H GLY 66 H GLY 66 -36.337 -4.387 21.355 2 HA3 GLY 66 HA2 GLY 66 -33.728 -4.715 21.687 3 HA2 GLY 66 HA3 GLY 66 -33.902 -5.736 20.265 No H/Q in entry = 3 In of MODEL 2 1 H GLU 67 H GLU 67 -32.305 -4.117 19.481 2 HA GLU 67 HA GLU 67 -33.084 -1.390 18.908 3 HB2 GLU 67 HB2 GLU 67 -30.699 -2.360 19.013 4 HB3 GLU 67 HB3 GLU 67 -31.001 -2.951 17.380 5 HG2 GLU 67 HG2 GLU 67 -29.993 -0.852 17.010 6 HG3 GLU 67 HG3 GLU 67 -31.716 -0.494 16.875 No H/Q in entry = 6 In of MODEL 2 1 H GLU 68 H GLU 68 -33.600 -4.429 17.317 2 HA GLU 68 HA GLU 68 -34.060 -3.546 14.653 3 HB2 GLU 68 HB2 GLU 68 -35.491 -5.632 14.517 4 HB3 GLU 68 HB3 GLU 68 -33.853 -5.902 15.102 5 HG2 GLU 68 HG2 GLU 68 -34.664 -5.877 17.424 6 HG3 GLU 68 HG3 GLU 68 -36.307 -5.591 16.856 No H/Q in entry = 6 In of MODEL 2 1 H LYS 69 H LYS 69 -36.136 -3.630 17.506 2 HA LYS 69 HA LYS 69 -38.421 -2.551 15.946 3 HB2 LYS 69 HB2 LYS 69 -38.151 -3.675 18.724 4 HB3 LYS 69 HB3 LYS 69 -39.592 -2.803 18.217 5 HG2 LYS 69 HG2 LYS 69 -38.552 -5.057 16.515 6 HG3 LYS 69 HG3 LYS 69 -39.479 -5.428 17.968 7 HD2 LYS 69 HD2 LYS 69 -41.327 -3.960 17.112 8 HD3 LYS 69 HD3 LYS 69 -40.393 -3.685 15.646 9 HE2 LYS 69 HE2 LYS 69 -42.006 -5.452 15.210 10 HE3 LYS 69 HE3 LYS 69 -40.387 -6.146 15.225 11 HZ3 LYS 69 HZ1 LYS 69 -40.924 -7.428 16.937 12 HZ2 LYS 69 HZ2 LYS 69 -42.538 -6.922 16.758 13 HZ1 LYS 69 HZ3 LYS 69 -41.503 -6.109 17.835 No H/Q in entry = 13 In of MODEL 2 1 H GLU 70 H GLU 70 -35.971 -1.530 18.165 2 HA GLU 70 HA GLU 70 -37.331 0.734 19.278 3 HB2 GLU 70 HB2 GLU 70 -35.361 0.082 20.387 4 HB3 GLU 70 HB3 GLU 70 -34.441 0.011 18.890 5 HG2 GLU 70 HG2 GLU 70 -35.632 2.626 19.738 6 HG3 GLU 70 HG3 GLU 70 -34.154 2.064 20.515 No H/Q in entry = 6 In of MODEL 2 1 H ALA 71 H ALA 71 -35.201 0.405 16.438 2 HA ALA 71 HA ALA 71 -35.215 3.209 15.827 3 HB1 ALA 71 HB1 ALA 71 -34.525 0.770 14.203 4 HB3 ALA 71 HB2 ALA 71 -33.440 1.975 14.896 5 HB2 ALA 71 HB3 ALA 71 -34.458 2.396 13.520 No H/Q in entry = 5 In of MODEL 2 1 H ILE 72 H ILE 72 -37.488 0.636 14.989 2 HA ILE 72 HA ILE 72 -38.687 2.016 12.788 3 HB ILE 72 HB ILE 72 -39.253 -0.398 13.777 4 HG12 ILE 72 HG12 ILE 72 -40.019 0.463 11.614 5 HG13 ILE 72 HG13 ILE 72 -41.359 -0.316 12.450 6 HG22 ILE 72 HG21 ILE 72 -41.572 1.260 14.885 7 HG21 ILE 72 HG22 ILE 72 -40.241 0.734 15.895 8 HG23 ILE 72 HG23 ILE 72 -41.268 -0.459 15.107 9 HD13 ILE 72 HD11 ILE 72 -42.366 1.645 11.710 10 HD12 ILE 72 HD12 ILE 72 -40.916 2.615 11.931 11 HD11 ILE 72 HD13 ILE 72 -41.855 2.119 13.322 No H/Q in entry = 11 In of MODEL 2 1 H PHE 73 H PHE 73 -39.198 2.324 16.290 2 HA PHE 73 HA PHE 73 -41.380 4.194 16.069 3 HB2 PHE 73 HB2 PHE 73 -41.317 3.570 18.249 4 HB3 PHE 73 HB3 PHE 73 -39.582 3.246 18.208 5 HD1 PHE 73 HD1 PHE 73 -42.151 5.583 19.161 6 HD2 PHE 73 HD2 PHE 73 -37.977 5.244 18.166 7 HE1 PHE 73 HE1 PHE 73 -41.706 7.751 20.293 8 HE2 PHE 73 HE2 PHE 73 -37.526 7.407 19.301 9 HZ PHE 73 HZ PHE 73 -39.398 8.653 20.369 No H/Q in entry = 9 In of MODEL 2 1 H GLU 74 H GLU 74 -37.843 4.628 16.168 2 HA GLU 74 HA GLU 74 -37.886 7.460 16.390 3 HB2 GLU 74 HB2 GLU 74 -35.946 5.419 15.449 4 HB3 GLU 74 HB3 GLU 74 -35.681 7.066 14.874 5 HG2 GLU 74 HG2 GLU 74 -36.147 6.388 17.793 6 HG3 GLU 74 HG3 GLU 74 -34.537 6.497 17.075 No H/Q in entry = 6 In of MODEL 2 1 H GLY 75 H GLY 75 -38.131 5.343 13.542 2 HA3 GLY 75 HA2 GLY 75 -38.075 7.438 11.590 3 HA2 GLY 75 HA3 GLY 75 -38.822 5.859 11.350 No H/Q in entry = 3 In of MODEL 2 1 H HIS 76 H HIS 76 -40.783 5.816 13.251 2 HA HIS 76 HA HIS 76 -42.868 7.349 12.061 3 HB2 HIS 76 HB2 HIS 76 -42.634 5.908 14.706 4 HB3 HIS 76 HB3 HIS 76 -44.110 6.753 14.234 5 HD1 HIS 76 HD1 HIS 76 -45.042 4.162 14.351 6 HD2 HIS 76 HD2 HIS 76 -42.535 5.102 11.149 7 HE1 HIS 76 HE1 HIS 76 -45.391 2.354 12.607 8 HE2 HIS 76 HE2 HIS 76 -43.870 2.918 10.658 No H/Q in entry = 8 In of MODEL 2 1 H ILE 77 H ILE 77 -41.022 7.854 15.066 2 HA ILE 77 HA ILE 77 -42.374 10.296 15.767 3 HB ILE 77 HB ILE 77 -41.128 9.145 17.491 4 HG12 ILE 77 HG12 ILE 77 -39.787 10.961 18.370 5 HG13 ILE 77 HG13 ILE 77 -39.523 11.611 16.755 6 HG21 ILE 77 HG21 ILE 77 -39.475 8.139 15.811 7 HG23 ILE 77 HG22 ILE 77 -38.772 8.663 17.345 8 HG22 ILE 77 HG23 ILE 77 -38.601 9.666 15.901 9 HD12 ILE 77 HD11 ILE 77 -41.449 12.589 18.417 10 HD11 ILE 77 HD12 ILE 77 -42.390 11.337 17.604 11 HD13 ILE 77 HD13 ILE 77 -41.622 12.607 16.663 No H/Q in entry = 11 In of MODEL 2 1 H MET 78 H MET 78 -39.269 9.669 14.053 2 HA MET 78 HA MET 78 -38.594 12.376 13.633 3 HB2 MET 78 HB2 MET 78 -37.740 9.762 12.713 4 HB3 MET 78 HB3 MET 78 -37.682 10.936 11.400 5 HG2 MET 78 HG2 MET 78 -35.552 10.898 12.650 6 HG3 MET 78 HG3 MET 78 -36.358 12.458 12.828 7 HE2 MET 78 HE1 MET 78 -34.526 12.614 15.125 8 HE1 MET 78 HE2 MET 78 -34.068 11.039 14.464 9 HE3 MET 78 HE3 MET 78 -34.432 11.205 16.179 No H/Q in entry = 9 In of MODEL 2 1 H LEU 79 H LEU 79 -40.622 10.181 11.728 2 HA LEU 79 HA LEU 79 -41.030 11.978 9.534 3 HB2 LEU 79 HB2 LEU 79 -41.584 9.555 9.463 4 HB3 LEU 79 HB3 LEU 79 -42.903 9.841 10.586 5 HG LEU 79 HG LEU 79 -43.949 11.381 8.974 6 HD11 LEU 79 HD11 LEU 79 -41.432 10.858 7.422 7 HD13 LEU 79 HD12 LEU 79 -42.330 12.357 7.627 8 HD12 LEU 79 HD13 LEU 79 -42.929 11.117 6.538 9 HD23 LEU 79 HD21 LEU 79 -44.624 9.650 7.273 10 HD22 LEU 79 HD22 LEU 79 -44.714 9.061 8.927 11 HD21 LEU 79 HD23 LEU 79 -43.373 8.581 7.901 No H/Q in entry = 11 In of MODEL 2 1 H LEU 80 H LEU 80 -42.737 11.451 12.567 2 HA LEU 80 HA LEU 80 -44.946 13.157 12.006 3 HB2 LEU 80 HB2 LEU 80 -44.572 11.451 13.954 4 HB3 LEU 80 HB3 LEU 80 -43.838 12.821 14.789 5 HG LEU 80 HG LEU 80 -46.253 12.610 15.333 6 HD13 LEU 80 HD11 LEU 80 -46.665 14.895 15.247 7 HD12 LEU 80 HD12 LEU 80 -46.133 15.034 13.572 8 HD11 LEU 80 HD13 LEU 80 -44.944 14.899 14.870 9 HD22 LEU 80 HD21 LEU 80 -47.885 12.431 13.733 10 HD21 LEU 80 HD22 LEU 80 -46.553 11.762 12.787 11 HD23 LEU 80 HD23 LEU 80 -47.018 13.453 12.585 No H/Q in entry = 11 In of MODEL 2 1 H GLU 81 H GLU 81 -41.760 13.802 13.431 2 HA GLU 81 HA GLU 81 -42.404 16.622 13.918 3 HB2 GLU 81 HB2 GLU 81 -40.774 15.184 15.287 4 HB3 GLU 81 HB3 GLU 81 -39.653 15.372 13.938 5 HG2 GLU 81 HG2 GLU 81 -39.680 17.786 14.172 6 HG3 GLU 81 HG3 GLU 81 -40.943 17.694 15.399 No H/Q in entry = 6 In of MODEL 2 1 H ASP 82 H ASP 82 -41.946 15.036 11.103 2 HA ASP 82 HA ASP 82 -39.887 16.323 9.706 3 HB2 ASP 82 HB2 ASP 82 -41.410 16.082 7.673 4 HB3 ASP 82 HB3 ASP 82 -41.136 14.604 8.588 No H/Q in entry = 4 In of MODEL 2 1 H GLU 83 H GLU 83 -39.530 18.400 9.105 2 HA GLU 83 HA GLU 83 -41.115 20.552 10.067 3 HB2 GLU 83 HB2 GLU 83 -38.695 20.687 9.416 4 HB3 GLU 83 HB3 GLU 83 -39.191 20.643 7.720 5 HG2 GLU 83 HG2 GLU 83 -40.535 22.688 8.064 6 HG3 GLU 83 HG3 GLU 83 -40.056 22.714 9.760 No H/Q in entry = 6 In of MODEL 2 1 H GLU 84 H GLU 84 -41.537 18.611 7.230 2 HA GLU 84 HA GLU 84 -42.973 20.589 5.664 3 HB2 GLU 84 HB2 GLU 84 -43.508 18.791 4.200 4 HB3 GLU 84 HB3 GLU 84 -41.904 18.403 4.823 5 HG2 GLU 84 HG2 GLU 84 -43.162 17.102 6.677 6 HG3 GLU 84 HG3 GLU 84 -44.562 17.213 5.608 No H/Q in entry = 6 In of MODEL 2 1 H LEU 85 H LEU 85 -43.814 18.188 8.064 2 HA LEU 85 HA LEU 85 -46.700 18.397 7.745 3 HB2 LEU 85 HB2 LEU 85 -45.139 16.631 9.025 4 HB3 LEU 85 HB3 LEU 85 -45.550 17.664 10.390 5 HG LEU 85 HG LEU 85 -47.503 16.272 8.530 6 HD11 LEU 85 HD11 LEU 85 -46.297 14.960 10.367 7 HD13 LEU 85 HD12 LEU 85 -48.058 14.926 10.419 8 HD12 LEU 85 HD13 LEU 85 -47.164 15.975 11.514 9 HD23 LEU 85 HD21 LEU 85 -49.140 17.187 10.375 10 HD22 LEU 85 HD22 LEU 85 -48.634 18.268 9.076 11 HD21 LEU 85 HD23 LEU 85 -47.872 18.370 10.660 No H/Q in entry = 11 In of MODEL 2 1 H GLU 86 H GLU 86 -44.329 19.929 9.877 2 HA GLU 86 HA GLU 86 -46.166 21.315 11.539 3 HB2 GLU 86 HB2 GLU 86 -43.719 21.123 11.978 4 HB3 GLU 86 HB3 GLU 86 -43.419 22.237 10.644 5 HG2 GLU 86 HG2 GLU 86 -44.552 24.028 11.764 6 HG3 GLU 86 HG3 GLU 86 -45.196 22.938 12.991 No H/Q in entry = 6 In of MODEL 2 1 H GLN 87 H GLN 87 -44.556 22.378 8.538 2 HA GLN 87 HA GLN 87 -45.903 24.927 8.474 3 HB2 GLN 87 HB2 GLN 87 -43.774 24.396 7.267 4 HB3 GLN 87 HB3 GLN 87 -44.699 23.382 6.157 5 HG2 GLN 87 HG2 GLN 87 -44.414 25.588 5.154 6 HG3 GLN 87 HG3 GLN 87 -46.110 25.377 5.596 7 HE21 GLN 87 HE21 GLN 87 -43.576 26.007 8.009 8 HE22 GLN 87 HE22 GLN 87 -44.117 27.566 8.416 No H/Q in entry = 8 In of MODEL 2 1 H GLU 88 H GLU 88 -46.584 21.789 6.905 2 HA GLU 88 HA GLU 88 -48.804 22.775 5.356 3 HB2 GLU 88 HB2 GLU 88 -48.026 19.981 6.204 4 HB3 GLU 88 HB3 GLU 88 -49.360 20.331 5.105 5 HG2 GLU 88 HG2 GLU 88 -46.523 21.292 4.650 6 HG3 GLU 88 HG3 GLU 88 -47.168 19.809 3.949 No H/Q in entry = 6 In of MODEL 2 1 H ILE 89 H ILE 89 -48.660 21.201 8.550 2 HA ILE 89 HA ILE 89 -51.523 20.985 8.816 3 HB ILE 89 HB ILE 89 -49.505 19.932 10.221 4 HG12 ILE 89 HG12 ILE 89 -51.910 19.327 10.345 5 HG13 ILE 89 HG13 ILE 89 -51.170 19.359 11.940 6 HG23 ILE 89 HG21 ILE 89 -49.304 21.036 12.413 7 HG22 ILE 89 HG22 ILE 89 -50.372 22.327 11.873 8 HG21 ILE 89 HG23 ILE 89 -48.786 22.126 11.134 9 HD13 ILE 89 HD11 ILE 89 -53.274 20.497 12.152 10 HD12 ILE 89 HD12 ILE 89 -52.979 21.461 10.704 11 HD11 ILE 89 HD13 ILE 89 -52.036 21.744 12.163 No H/Q in entry = 11 In of MODEL 2 1 H ILE 90 H ILE 90 -49.158 23.381 9.917 2 HA ILE 90 HA ILE 90 -51.065 25.120 11.172 3 HB ILE 90 HB ILE 90 -48.232 25.419 10.206 4 HG12 ILE 90 HG12 ILE 90 -49.404 25.739 12.981 5 HG13 ILE 90 HG13 ILE 90 -48.959 24.160 12.337 6 HG22 ILE 90 HG21 ILE 90 -48.333 27.672 11.462 7 HG21 ILE 90 HG22 ILE 90 -50.084 27.567 11.248 8 HG23 ILE 90 HG23 ILE 90 -49.017 27.615 9.841 9 HD12 ILE 90 HD11 ILE 90 -47.218 25.564 13.764 10 HD11 ILE 90 HD12 ILE 90 -46.925 26.374 12.224 11 HD13 ILE 90 HD13 ILE 90 -46.685 24.632 12.368 No H/Q in entry = 11 In of MODEL 2 1 H ALA 91 H ALA 91 -49.711 25.032 7.892 2 HA ALA 91 HA ALA 91 -50.737 27.528 7.023 3 HB3 ALA 91 HB1 ALA 91 -49.087 26.169 5.753 4 HB2 ALA 91 HB2 ALA 91 -50.450 26.678 4.755 5 HB1 ALA 91 HB3 ALA 91 -50.369 25.026 5.365 No H/Q in entry = 5 In of MODEL 2 1 H LEU 92 H LEU 92 -52.262 24.287 6.776 2 HA LEU 92 HA LEU 92 -54.614 25.184 5.456 3 HB2 LEU 92 HB2 LEU 92 -53.645 22.753 6.287 4 HB3 LEU 92 HB3 LEU 92 -54.982 22.995 7.410 5 HG LEU 92 HG LEU 92 -56.336 23.645 5.248 6 HD13 LEU 92 HD11 LEU 92 -54.392 23.664 3.740 7 HD12 LEU 92 HD12 LEU 92 -55.540 22.418 3.244 8 HD11 LEU 92 HD13 LEU 92 -54.074 21.970 4.115 9 HD23 LEU 92 HD21 LEU 92 -55.520 20.746 5.677 10 HD22 LEU 92 HD22 LEU 92 -57.026 21.308 4.971 11 HD21 LEU 92 HD23 LEU 92 -56.704 21.587 6.678 No H/Q in entry = 11 In of MODEL 2 1 H ILE 93 H ILE 93 -53.943 24.806 8.942 2 HA ILE 93 HA ILE 93 -56.518 25.648 9.853 3 HB ILE 93 HB ILE 93 -53.797 25.996 11.170 4 HG12 ILE 93 HG12 ILE 93 -55.920 23.832 11.519 5 HG13 ILE 93 HG13 ILE 93 -54.416 23.629 10.625 6 HG21 ILE 93 HG21 ILE 93 -56.622 26.149 12.309 7 HG23 ILE 93 HG22 ILE 93 -55.492 27.486 12.155 8 HG22 ILE 93 HG23 ILE 93 -55.145 26.162 13.267 9 HD11 ILE 93 HD11 ILE 93 -53.217 24.332 12.785 10 HD13 ILE 93 HD12 ILE 93 -53.967 22.740 12.797 11 HD12 ILE 93 HD13 ILE 93 -54.766 24.087 13.586 No H/Q in entry = 11 In of MODEL 2 1 H LYS 94 H LYS 94 -53.509 27.438 9.344 2 HA LYS 94 HA LYS 94 -54.673 30.021 9.936 3 HB2 LYS 94 HB2 LYS 94 -52.135 29.269 8.464 4 HB3 LYS 94 HB3 LYS 94 -52.628 30.939 8.737 5 HG2 LYS 94 HG2 LYS 94 -52.751 30.382 11.217 6 HG3 LYS 94 HG3 LYS 94 -51.986 28.847 10.833 7 HD2 LYS 94 HD2 LYS 94 -49.916 29.811 10.611 8 HD3 LYS 94 HD3 LYS 94 -50.537 31.142 9.649 9 HE2 LYS 94 HE2 LYS 94 -51.305 32.282 11.689 10 HE3 LYS 94 HE3 LYS 94 -50.742 30.929 12.672 11 HZ2 LYS 94 HZ1 LYS 94 -49.254 33.038 12.262 12 HZ1 LYS 94 HZ2 LYS 94 -48.831 32.197 10.849 13 HZ3 LYS 94 HZ3 LYS 94 -48.573 31.483 12.367 No H/Q in entry = 13 In of MODEL 2 1 H ASP 95 H ASP 95 -54.060 28.310 6.865 2 HA ASP 95 HA ASP 95 -55.127 30.557 5.322 3 HB2 ASP 95 HB2 ASP 95 -53.344 28.997 4.482 4 HB3 ASP 95 HB3 ASP 95 -54.577 27.743 4.352 No H/Q in entry = 4 In of MODEL 2 1 H LYS 96 H LYS 96 -56.280 27.216 5.906 2 HA LYS 96 HA LYS 96 -58.879 27.974 4.690 3 HB2 LYS 96 HB2 LYS 96 -57.870 25.314 5.714 4 HB3 LYS 96 HB3 LYS 96 -59.460 25.575 5.012 5 HG2 LYS 96 HG2 LYS 96 -57.766 26.746 3.111 6 HG3 LYS 96 HG3 LYS 96 -56.835 25.359 3.659 7 HD2 LYS 96 HD2 LYS 96 -58.552 23.825 3.029 8 HD3 LYS 96 HD3 LYS 96 -59.738 25.114 2.810 9 HE2 LYS 96 HE2 LYS 96 -59.022 24.492 0.616 10 HE3 LYS 96 HE3 LYS 96 -58.222 26.022 0.968 11 HZ2 LYS 96 HZ1 LYS 96 -57.065 23.298 1.123 12 HZ1 LYS 96 HZ2 LYS 96 -56.292 24.674 1.751 13 HZ3 LYS 96 HZ3 LYS 96 -56.604 24.562 0.087 No H/Q in entry = 13 In of MODEL 2 1 H HIS 97 H HIS 97 -57.665 28.252 7.777 2 HA HIS 97 HA HIS 97 -58.688 28.513 9.875 3 HB2 HIS 97 HB2 HIS 97 -61.220 28.984 8.282 4 HB3 HIS 97 HB3 HIS 97 -60.792 29.652 9.859 5 HD1 HIS 97 HD1 HIS 97 -61.419 31.396 7.268 6 HD2 HIS 97 HD2 HIS 97 -57.619 30.457 8.703 7 HE1 HIS 97 HE1 HIS 97 -59.853 33.163 6.354 8 HE2 HIS 97 HE2 HIS 97 -57.532 32.608 7.224 No H/Q in entry = 8 In of MODEL 2 1 H MET 98 H MET 98 -58.482 25.914 8.882 2 HA MET 98 HA MET 98 -61.003 24.502 9.593 3 HB2 MET 98 HB2 MET 98 -58.330 23.575 8.538 4 HB3 MET 98 HB3 MET 98 -59.612 22.452 8.990 5 HG2 MET 98 HG2 MET 98 -61.091 23.334 7.328 6 HG3 MET 98 HG3 MET 98 -60.063 24.737 7.060 7 HE2 MET 98 HE1 MET 98 -59.967 20.736 5.016 8 HE1 MET 98 HE2 MET 98 -61.304 21.760 5.550 9 HE3 MET 98 HE3 MET 98 -60.373 20.835 6.725 No H/Q in entry = 9 In of MODEL 2 1 H THR 99 H THR 99 -60.723 22.524 11.107 2 HA THR 99 HA THR 99 -59.539 23.488 13.606 3 HB THR 99 HB THR 99 -60.509 21.414 14.565 4 HG1 THR 99 HG1 THR 99 -61.807 20.174 13.043 5 HG22 THR 99 HG21 THR 99 -62.929 21.890 13.751 6 HG21 THR 99 HG22 THR 99 -62.195 23.178 12.794 7 HG23 THR 99 HG23 THR 99 -62.049 23.190 14.552 No H/Q in entry = 7 In of MODEL 2 1 H ALA 100 H ALA 100 -58.008 22.139 14.875 2 HA ALA 100 HA ALA 100 -55.747 21.320 13.296 3 HB1 ALA 100 HB1 ALA 100 -55.279 22.149 15.462 4 HB2 ALA 100 HB2 ALA 100 -54.938 20.418 15.560 5 HB3 ALA 100 HB3 ALA 100 -56.443 21.057 16.222 No H/Q in entry = 5 In of MODEL 2 1 H ASP 101 H ASP 101 -58.269 19.458 15.018 2 HA ASP 101 HA ASP 101 -57.015 16.924 14.437 3 HB2 ASP 101 HB2 ASP 101 -59.233 15.952 15.081 4 HB3 ASP 101 HB3 ASP 101 -58.575 17.054 16.289 No H/Q in entry = 4 In of MODEL 2 1 H ALA 102 H ALA 102 -59.373 18.949 12.742 2 HA ALA 102 HA ALA 102 -59.884 16.881 10.723 3 HB3 ALA 102 HB1 ALA 102 -60.520 19.841 10.558 4 HB1 ALA 102 HB2 ALA 102 -61.572 18.658 11.336 5 HB2 ALA 102 HB3 ALA 102 -61.240 18.539 9.608 No H/Q in entry = 5 In of MODEL 2 1 H ALA 103 H ALA 103 -57.955 19.852 10.969 2 HA ALA 103 HA ALA 103 -57.013 19.751 8.240 3 HB3 ALA 103 HB1 ALA 103 -56.921 21.855 9.440 4 HB2 ALA 103 HB2 ALA 103 -55.270 21.363 9.075 5 HB1 ALA 103 HB3 ALA 103 -55.914 21.140 10.702 No H/Q in entry = 5 In of MODEL 2 1 H ALA 104 H ALA 104 -55.566 18.719 11.340 2 HA ALA 104 HA ALA 104 -53.111 17.771 10.231 3 HB2 ALA 104 HB1 ALA 104 -52.780 16.655 12.317 4 HB3 ALA 104 HB2 ALA 104 -54.516 16.549 12.614 5 HB1 ALA 104 HB3 ALA 104 -53.702 18.107 12.699 No H/Q in entry = 5 In of MODEL 2 1 H HIS 105 H HIS 105 -56.238 16.182 10.672 2 HA HIS 105 HA HIS 105 -55.453 13.539 9.993 3 HB2 HIS 105 HB2 HIS 105 -57.712 14.168 10.870 4 HB3 HIS 105 HB3 HIS 105 -58.085 14.883 9.308 5 HD1 HIS 105 HD1 HIS 105 -56.595 11.531 10.396 6 HD2 HIS 105 HD2 HIS 105 -59.505 13.052 7.824 7 HE1 HIS 105 HE1 HIS 105 -57.621 9.538 9.215 8 HE2 HIS 105 HE2 HIS 105 -59.390 10.450 7.645 No H/Q in entry = 8 In of MODEL 2 1 H GLU 106 H GLU 106 -56.432 16.246 7.925 2 HA GLU 106 HA GLU 106 -56.474 14.798 5.468 3 HB2 GLU 106 HB2 GLU 106 -57.314 17.198 6.040 4 HB3 GLU 106 HB3 GLU 106 -55.666 17.689 5.652 5 HG2 GLU 106 HG2 GLU 106 -56.902 17.901 3.621 6 HG3 GLU 106 HG3 GLU 106 -55.947 16.428 3.451 No H/Q in entry = 6 In of MODEL 2 1 H VAL 107 H VAL 107 -53.856 16.525 7.122 2 HA VAL 107 HA VAL 107 -51.946 16.307 5.019 3 HB VAL 107 HB VAL 107 -50.304 16.912 6.663 4 HG13 VAL 107 HG11 VAL 107 -51.882 18.685 6.158 5 HG12 VAL 107 HG12 VAL 107 -51.504 18.749 7.880 6 HG11 VAL 107 HG13 VAL 107 -53.030 18.053 7.338 7 HG23 VAL 107 HG21 VAL 107 -51.152 16.871 9.143 8 HG22 VAL 107 HG22 VAL 107 -50.559 15.372 8.420 9 HG21 VAL 107 HG23 VAL 107 -52.294 15.668 8.549 No H/Q in entry = 9 In of MODEL 2 1 H ILE 108 H ILE 108 -52.254 14.225 7.939 2 HA ILE 108 HA ILE 108 -50.283 12.335 6.993 3 HB ILE 108 HB ILE 108 -51.007 12.596 9.389 4 HG12 ILE 108 HG12 ILE 108 -51.253 10.009 9.736 5 HG13 ILE 108 HG13 ILE 108 -51.010 9.922 7.994 6 HG21 ILE 108 HG21 ILE 108 -53.541 12.552 8.505 7 HG23 ILE 108 HG22 ILE 108 -53.129 12.006 10.130 8 HG22 ILE 108 HG23 ILE 108 -53.365 10.831 8.841 9 HD11 ILE 108 HD11 ILE 108 -49.109 11.367 9.863 10 HD13 ILE 108 HD12 ILE 108 -48.829 10.955 8.174 11 HD12 ILE 108 HD13 ILE 108 -48.901 9.686 9.386 No H/Q in entry = 11 In of MODEL 2 1 H GLU 109 H GLU 109 -53.815 12.476 6.818 2 HA GLU 109 HA GLU 109 -54.163 9.890 5.589 3 HB2 GLU 109 HB2 GLU 109 -56.021 11.226 6.626 4 HB3 GLU 109 HB3 GLU 109 -55.909 12.351 5.271 5 HG2 GLU 109 HG2 GLU 109 -56.414 10.518 3.698 6 HG3 GLU 109 HG3 GLU 109 -56.515 9.387 5.045 No H/Q in entry = 6 In of MODEL 2 1 H GLY 110 H GLY 110 -53.631 13.148 4.351 2 HA3 GLY 110 HA2 GLY 110 -54.013 12.649 1.587 3 HA2 GLY 110 HA3 GLY 110 -52.944 13.897 2.231 No H/Q in entry = 3 In of MODEL 2 1 H GLN 111 H GLN 111 -50.955 12.436 3.493 2 HA GLN 111 HA GLN 111 -49.431 11.497 1.235 3 HB2 GLN 111 HB2 GLN 111 -48.991 11.417 4.212 4 HB3 GLN 111 HB3 GLN 111 -47.902 10.560 3.121 5 HG2 GLN 111 HG2 GLN 111 -48.593 13.465 2.681 6 HG3 GLN 111 HG3 GLN 111 -47.283 12.987 3.760 7 HE21 GLN 111 HE21 GLN 111 -47.564 10.658 1.327 8 HE22 GLN 111 HE22 GLN 111 -46.373 11.248 0.270 No H/Q in entry = 8 In of MODEL 2 1 H ALA 112 H ALA 112 -50.821 9.716 4.025 2 HA ALA 112 HA ALA 112 -50.151 7.119 3.148 3 HB1 ALA 112 HB1 ALA 112 -52.588 8.086 4.674 4 HB3 ALA 112 HB2 ALA 112 -51.092 7.453 5.357 5 HB2 ALA 112 HB3 ALA 112 -52.176 6.384 4.462 No H/Q in entry = 5 In of MODEL 2 1 H SER 113 H SER 113 -52.937 9.164 2.316 2 HA SER 113 HA SER 113 -54.348 7.247 0.765 3 HB2 SER 113 HB2 SER 113 -55.454 9.152 -0.285 4 HB3 SER 113 HB3 SER 113 -55.253 9.479 1.433 5 HG SER 113 HG SER 113 -53.481 10.760 0.943 No H/Q in entry = 5 In of MODEL 2 1 H ALA 114 H ALA 114 -51.712 9.463 -0.117 2 HA ALA 114 HA ALA 114 -51.706 8.829 -2.907 3 HB2 ALA 114 HB1 ALA 114 -49.364 9.679 -2.881 4 HB1 ALA 114 HB2 ALA 114 -49.419 9.713 -1.118 5 HB3 ALA 114 HB3 ALA 114 -50.477 10.768 -2.055 No H/Q in entry = 5 In of MODEL 2 1 H LEU 115 H LEU 115 -50.082 7.366 -0.105 2 HA LEU 115 HA LEU 115 -48.477 5.532 -1.601 3 HB2 LEU 115 HB2 LEU 115 -49.432 5.710 1.231 4 HB3 LEU 115 HB3 LEU 115 -48.774 4.172 0.672 5 HG LEU 115 HG LEU 115 -47.036 5.633 1.683 6 HD13 LEU 115 HD11 LEU 115 -45.465 4.875 0.217 7 HD12 LEU 115 HD12 LEU 115 -46.262 5.612 -1.173 8 HD11 LEU 115 HD13 LEU 115 -46.851 4.081 -0.528 9 HD21 LEU 115 HD21 LEU 115 -47.661 7.446 -0.670 10 HD23 LEU 115 HD22 LEU 115 -46.309 7.654 0.439 11 HD22 LEU 115 HD23 LEU 115 -47.962 7.829 1.023 No H/Q in entry = 11 In of MODEL 2 1 H GLU 116 H GLU 116 -51.824 5.221 -0.313 2 HA GLU 116 HA GLU 116 -52.155 2.486 -0.951 3 HB2 GLU 116 HB2 GLU 116 -54.166 4.754 -0.954 4 HB3 GLU 116 HB3 GLU 116 -54.600 3.047 -1.061 5 HG2 GLU 116 HG2 GLU 116 -53.496 2.625 1.105 6 HG3 GLU 116 HG3 GLU 116 -53.072 4.334 1.221 No H/Q in entry = 6 In of MODEL 2 1 H GLU 117 H GLU 117 -52.417 5.375 -2.973 2 HA GLU 117 HA GLU 117 -53.666 4.212 -5.233 3 HB2 GLU 117 HB2 GLU 117 -51.690 6.452 -4.881 4 HB3 GLU 117 HB3 GLU 117 -52.100 5.904 -6.507 5 HG2 GLU 117 HG2 GLU 117 -53.595 7.725 -5.877 6 HG3 GLU 117 HG3 GLU 117 -54.518 6.222 -5.962 No H/Q in entry = 6 In of MODEL 2 1 H LEU 118 H LEU 118 -50.515 3.675 -3.877 2 HA LEU 118 HA LEU 118 -49.121 2.786 -6.193 3 HB2 LEU 118 HB2 LEU 118 -48.902 2.241 -3.257 4 HB3 LEU 118 HB3 LEU 118 -47.942 1.286 -4.380 5 HG LEU 118 HG LEU 118 -46.786 3.361 -3.504 6 HD13 LEU 118 HD11 LEU 118 -45.572 3.154 -5.384 7 HD12 LEU 118 HD12 LEU 118 -46.795 4.035 -6.296 8 HD11 LEU 118 HD13 LEU 118 -46.916 2.289 -6.121 9 HD21 LEU 118 HD21 LEU 118 -49.032 4.698 -3.729 10 HD23 LEU 118 HD22 LEU 118 -48.537 4.928 -5.409 11 HD22 LEU 118 HD23 LEU 118 -47.521 5.523 -4.095 No H/Q in entry = 11 In of MODEL 2 1 H ASP 119 H ASP 119 -48.899 0.693 -7.083 2 HA ASP 119 HA ASP 119 -51.174 -1.144 -6.504 3 HB2 ASP 119 HB2 ASP 119 -50.616 -2.149 -8.680 4 HB3 ASP 119 HB3 ASP 119 -50.807 -0.408 -8.855 No H/Q in entry = 4 In of MODEL 2 1 H ASP 120 H ASP 120 -49.041 -1.100 -4.580 2 HA ASP 120 HA ASP 120 -47.916 -3.856 -4.968 3 HB2 ASP 120 HB2 ASP 120 -46.517 -1.363 -3.992 4 HB3 ASP 120 HB3 ASP 120 -45.904 -2.980 -3.650 No H/Q in entry = 4 In of MODEL 2 1 H GLU 121 H GLU 121 -48.209 -5.181 -3.279 2 HA GLU 121 HA GLU 121 -49.873 -4.406 -1.038 3 HB2 GLU 121 HB2 GLU 121 -49.379 -6.729 -0.217 4 HB3 GLU 121 HB3 GLU 121 -49.992 -6.681 -1.869 5 HG2 GLU 121 HG2 GLU 121 -47.709 -6.870 -2.742 6 HG3 GLU 121 HG3 GLU 121 -47.062 -6.849 -1.103 No H/Q in entry = 6 In of MODEL 2 1 H TYR 122 H TYR 122 -46.415 -4.714 -1.525 2 HA TYR 122 HA TYR 122 -45.675 -4.719 1.276 3 HB2 TYR 122 HB2 TYR 122 -44.250 -4.294 -1.352 4 HB3 TYR 122 HB3 TYR 122 -43.414 -3.993 0.167 5 HD1 TYR 122 HD1 TYR 122 -44.628 -6.507 -2.172 6 HD2 TYR 122 HD2 TYR 122 -43.179 -5.893 1.846 7 HE1 TYR 122 HE1 TYR 122 -44.191 -8.946 -1.953 8 HE2 TYR 122 HE2 TYR 122 -42.736 -8.339 2.052 9 HH TYR 122 HH TYR 122 -43.128 -10.350 1.114 No H/Q in entry = 9 In of MODEL 2 1 H LEU 123 H LEU 123 -46.015 -2.187 -1.202 2 HA LEU 123 HA LEU 123 -45.025 -0.085 0.551 3 HB2 LEU 123 HB2 LEU 123 -46.401 -0.158 -2.131 4 HB3 LEU 123 HB3 LEU 123 -46.220 1.369 -1.269 5 HG LEU 123 HG LEU 123 -43.822 1.122 -1.187 6 HD12 LEU 123 HD11 LEU 123 -42.812 -0.910 -2.464 7 HD11 LEU 123 HD12 LEU 123 -44.396 -1.655 -2.233 8 HD13 LEU 123 HD13 LEU 123 -43.434 -1.177 -0.837 9 HD21 LEU 123 HD21 LEU 123 -44.953 0.503 -3.936 10 HD23 LEU 123 HD22 LEU 123 -43.294 1.017 -3.667 11 HD22 LEU 123 HD23 LEU 123 -44.628 2.096 -3.267 No H/Q in entry = 11 In of MODEL 2 1 H LYS 124 H LYS 124 -48.150 -1.454 -0.288 2 HA LYS 124 HA LYS 124 -49.804 0.527 0.909 3 HB2 LYS 124 HB2 LYS 124 -50.578 -1.296 -0.620 4 HB3 LYS 124 HB3 LYS 124 -50.344 -2.444 0.700 5 HG2 LYS 124 HG2 LYS 124 -52.375 -1.925 1.515 6 HG3 LYS 124 HG3 LYS 124 -51.879 -0.241 1.693 7 HD2 LYS 124 HD2 LYS 124 -53.779 -0.216 0.235 8 HD3 LYS 124 HD3 LYS 124 -52.373 0.030 -0.802 9 HE2 LYS 124 HE2 LYS 124 -52.429 -2.596 -1.028 10 HE3 LYS 124 HE3 LYS 124 -54.105 -2.426 -0.505 11 HZ3 LYS 124 HZ1 LYS 124 -54.679 -1.293 -2.377 12 HZ2 LYS 124 HZ2 LYS 124 -53.453 -2.276 -3.020 13 HZ1 LYS 124 HZ3 LYS 124 -53.127 -0.658 -2.625 No H/Q in entry = 13 In of MODEL 2 1 H GLU 125 H GLU 125 -48.311 -2.410 2.334 2 HA GLU 125 HA GLU 125 -49.574 -2.173 4.885 3 HB2 GLU 125 HB2 GLU 125 -47.023 -3.443 3.958 4 HB3 GLU 125 HB3 GLU 125 -47.324 -3.284 5.686 5 HG2 GLU 125 HG2 GLU 125 -48.145 -5.451 4.929 6 HG3 GLU 125 HG3 GLU 125 -49.524 -4.435 5.358 No H/Q in entry = 6 In of MODEL 2 1 H ARG 126 H ARG 126 -46.494 -0.779 3.702 2 HA ARG 126 HA ARG 126 -45.816 0.464 6.188 3 HB2 ARG 126 HB2 ARG 126 -44.261 0.260 4.201 4 HB3 ARG 126 HB3 ARG 126 -45.176 1.544 3.412 5 HG2 ARG 126 HG2 ARG 126 -43.669 2.915 4.429 6 HG3 ARG 126 HG3 ARG 126 -44.694 2.701 5.844 7 HD2 ARG 126 HD2 ARG 126 -42.373 2.288 6.461 8 HD3 ARG 126 HD3 ARG 126 -43.269 0.773 6.537 9 HE ARG 126 HE ARG 126 -41.946 -0.027 4.744 10 HH21 ARG 126 HH11 ARG 126 -40.209 0.183 3.298 11 HH22 ARG 126 HH12 ARG 126 -39.568 1.753 2.963 12 HH11 ARG 126 HH21 ARG 126 -41.764 3.399 5.074 13 HH12 ARG 126 HH22 ARG 126 -40.447 3.569 3.964 No H/Q in entry = 13 In of MODEL 2 1 H ALA 127 H ALA 127 -47.948 1.458 3.562 2 HA ALA 127 HA ALA 127 -48.441 4.117 4.486 3 HB3 ALA 127 HB1 ALA 127 -50.062 4.174 2.855 4 HB1 ALA 127 HB2 ALA 127 -50.718 2.610 3.317 5 HB2 ALA 127 HB3 ALA 127 -49.268 2.693 2.320 No H/Q in entry = 5 In of MODEL 2 1 H ALA 128 H ALA 128 -49.473 0.980 5.566 2 HA ALA 128 HA ALA 128 -51.726 1.863 7.163 3 HB2 ALA 128 HB1 ALA 128 -50.046 -0.575 7.772 4 HB1 ALA 128 HB2 ALA 128 -51.144 -0.546 6.393 5 HB3 ALA 128 HB3 ALA 128 -51.776 -0.340 8.024 No H/Q in entry = 5 In of MODEL 2 1 H ASP 129 H ASP 129 -48.273 1.340 7.771 2 HA ASP 129 HA ASP 129 -48.372 1.862 10.594 3 HB2 ASP 129 HB2 ASP 129 -46.182 1.896 8.524 4 HB3 ASP 129 HB3 ASP 129 -45.865 2.474 10.161 No H/Q in entry = 4 In of MODEL 2 1 H VAL 130 H VAL 130 -47.856 3.938 7.765 2 HA VAL 130 HA VAL 130 -47.321 6.327 9.289 3 HB VAL 130 HB VAL 130 -48.331 5.954 6.444 4 HG12 VAL 130 HG11 VAL 130 -47.469 8.329 6.195 5 HG11 VAL 130 HG12 VAL 130 -47.447 8.413 7.956 6 HG13 VAL 130 HG13 VAL 130 -48.972 8.162 7.099 7 HG23 VAL 130 HG21 VAL 130 -45.945 6.582 5.931 8 HG22 VAL 130 HG22 VAL 130 -46.105 5.045 6.781 9 HG21 VAL 130 HG23 VAL 130 -45.602 6.490 7.658 No H/Q in entry = 9 In of MODEL 2 1 H ARG 131 H ARG 131 -50.265 4.890 7.930 2 HA ARG 131 HA ARG 131 -52.077 7.002 8.553 3 HB2 ARG 131 HB2 ARG 131 -52.566 4.940 7.153 4 HB3 ARG 131 HB3 ARG 131 -52.695 4.039 8.665 5 HG2 ARG 131 HG2 ARG 131 -54.896 4.643 8.520 6 HG3 ARG 131 HG3 ARG 131 -54.306 6.144 9.233 7 HD2 ARG 131 HD2 ARG 131 -55.628 6.729 7.295 8 HD3 ARG 131 HD3 ARG 131 -53.939 7.015 6.896 9 HE ARG 131 HE ARG 131 -54.122 5.288 5.281 10 HH21 ARG 131 HH11 ARG 131 -55.165 3.563 4.268 11 HH22 ARG 131 HH12 ARG 131 -56.628 2.934 4.944 12 HH11 ARG 131 HH21 ARG 131 -56.670 5.159 7.603 13 HH12 ARG 131 HH22 ARG 131 -57.481 3.835 6.830 No H/Q in entry = 13 In of MODEL 2 1 H ASP 132 H ASP 132 -50.905 4.260 10.455 2 HA ASP 132 HA ASP 132 -52.591 4.543 12.720 3 HB2 ASP 132 HB2 ASP 132 -51.097 2.604 12.283 4 HB3 ASP 132 HB3 ASP 132 -49.704 3.619 12.661 No H/Q in entry = 4 In of MODEL 2 1 H ILE 133 H ILE 133 -49.498 6.120 11.943 2 HA ILE 133 HA ILE 133 -49.088 7.367 14.457 3 HB ILE 133 HB ILE 133 -48.367 8.421 11.706 4 HG12 ILE 133 HG12 ILE 133 -46.728 6.746 13.644 5 HG13 ILE 133 HG13 ILE 133 -47.573 6.083 12.249 6 HG23 ILE 133 HG21 ILE 133 -48.105 10.184 13.330 7 HG22 ILE 133 HG22 ILE 133 -46.496 9.523 13.045 8 HG21 ILE 133 HG23 ILE 133 -47.387 9.081 14.500 9 HD13 ILE 133 HD11 ILE 133 -45.305 6.450 11.539 10 HD12 ILE 133 HD12 ILE 133 -45.274 8.071 12.237 11 HD11 ILE 133 HD13 ILE 133 -46.261 7.742 10.817 No H/Q in entry = 11 In of MODEL 2 1 H GLY 134 H GLY 134 -50.866 8.549 11.588 2 HA3 GLY 134 HA2 GLY 134 -51.599 11.049 12.849 3 HA2 GLY 134 HA3 GLY 134 -52.322 10.393 11.383 No H/Q in entry = 3 In of MODEL 2 1 H LYS 135 H LYS 135 -53.109 7.873 12.624 2 HA LYS 135 HA LYS 135 -55.723 8.561 13.508 3 HB2 LYS 135 HB2 LYS 135 -55.036 6.339 12.590 4 HB3 LYS 135 HB3 LYS 135 -54.156 6.015 14.079 5 HG2 LYS 135 HG2 LYS 135 -56.271 6.213 15.364 6 HG3 LYS 135 HG3 LYS 135 -57.141 6.515 13.859 7 HD2 LYS 135 HD2 LYS 135 -56.432 4.296 13.000 8 HD3 LYS 135 HD3 LYS 135 -55.555 4.000 14.501 9 HE2 LYS 135 HE2 LYS 135 -57.710 2.879 14.621 10 HE3 LYS 135 HE3 LYS 135 -57.721 4.239 15.745 11 HZ2 LYS 135 HZ1 LYS 135 -59.721 3.962 14.228 12 HZ1 LYS 135 HZ2 LYS 135 -58.717 4.522 12.979 13 HZ3 LYS 135 HZ3 LYS 135 -59.028 5.508 14.320 No H/Q in entry = 13 In of MODEL 2 1 H ARG 136 H ARG 136 -52.851 7.546 15.410 2 HA ARG 136 HA ARG 136 -54.154 7.827 17.962 3 HB2 ARG 136 HB2 ARG 136 -52.155 6.439 17.658 4 HB3 ARG 136 HB3 ARG 136 -51.220 7.863 17.204 5 HG2 ARG 136 HG2 ARG 136 -51.438 8.819 19.393 6 HG3 ARG 136 HG3 ARG 136 -52.646 7.619 19.863 7 HD2 ARG 136 HD2 ARG 136 -49.813 6.895 19.085 8 HD3 ARG 136 HD3 ARG 136 -50.310 7.177 20.746 9 HE ARG 136 HE ARG 136 -52.132 5.306 19.718 10 HH21 ARG 136 HH11 ARG 136 -51.787 3.079 19.827 11 HH22 ARG 136 HH12 ARG 136 -50.181 2.480 20.066 12 HH11 ARG 136 HH21 ARG 136 -48.731 5.625 20.157 13 HH12 ARG 136 HH22 ARG 136 -48.451 3.915 20.253 No H/Q in entry = 13 In of MODEL 2 1 H LEU 137 H LEU 137 -52.381 10.025 15.869 2 HA LEU 137 HA LEU 137 -51.803 12.063 17.738 3 HB2 LEU 137 HB2 LEU 137 -51.835 11.741 14.870 4 HB3 LEU 137 HB3 LEU 137 -52.548 13.294 15.286 5 HG LEU 137 HG LEU 137 -50.097 13.451 14.936 6 HD11 LEU 137 HD11 LEU 137 -51.527 14.780 16.735 7 HD13 LEU 137 HD12 LEU 137 -49.776 14.970 16.660 8 HD12 LEU 137 HD13 LEU 137 -50.504 13.912 17.870 9 HD22 LEU 137 HD21 LEU 137 -48.582 12.077 15.996 10 HD21 LEU 137 HD22 LEU 137 -49.957 11.001 16.193 11 HD23 LEU 137 HD23 LEU 137 -49.477 12.059 17.513 No H/Q in entry = 11 In of MODEL 2 1 H LEU 138 H LEU 138 -54.738 11.439 15.840 2 HA LEU 138 HA LEU 138 -56.185 13.746 16.697 3 HB2 LEU 138 HB2 LEU 138 -56.896 11.068 15.582 4 HB3 LEU 138 HB3 LEU 138 -58.183 12.009 16.328 5 HG LEU 138 HG LEU 138 -57.791 13.869 14.829 6 HD11 LEU 138 HD11 LEU 138 -55.311 12.296 14.152 7 HD13 LEU 138 HD12 LEU 138 -55.467 14.004 14.570 8 HD12 LEU 138 HD13 LEU 138 -55.984 13.430 12.985 9 HD22 LEU 138 HD21 LEU 138 -58.595 12.911 12.845 10 HD21 LEU 138 HD22 LEU 138 -58.949 11.637 14.007 11 HD23 LEU 138 HD23 LEU 138 -57.539 11.526 12.964 No H/Q in entry = 11 In of MODEL 2 1 H ARG 139 H ARG 139 -55.811 10.516 18.138 2 HA ARG 139 HA ARG 139 -57.701 11.019 20.276 3 HB2 ARG 139 HB2 ARG 139 -55.343 9.115 20.130 4 HB3 ARG 139 HB3 ARG 139 -56.531 9.126 21.426 5 HG2 ARG 139 HG2 ARG 139 -58.331 8.767 19.663 6 HG3 ARG 139 HG3 ARG 139 -57.037 8.538 18.491 7 HD2 ARG 139 HD2 ARG 139 -57.692 6.334 19.247 8 HD3 ARG 139 HD3 ARG 139 -56.134 6.690 19.978 9 HE ARG 139 HE ARG 139 -58.329 7.495 21.699 10 HH21 ARG 139 HH11 ARG 139 -58.809 6.179 23.475 11 HH22 ARG 139 HH12 ARG 139 -58.115 4.594 23.576 12 HH11 ARG 139 HH21 ARG 139 -56.388 4.869 20.586 13 HH12 ARG 139 HH22 ARG 139 -56.745 3.855 21.943 No H/Q in entry = 13 In of MODEL 2 1 H ASN 140 H ASN 140 -54.209 11.459 19.904 2 HA ASN 140 HA ASN 140 -53.612 12.240 22.572 3 HB2 ASN 140 HB2 ASN 140 -52.288 12.885 19.931 4 HB3 ASN 140 HB3 ASN 140 -51.614 13.384 21.484 5 HD21 ASN 140 HD21 ASN 140 -50.281 11.495 19.734 6 HD22 ASN 140 HD22 ASN 140 -50.242 9.993 20.528 No H/Q in entry = 6 In of MODEL 2 1 H ILE 141 H ILE 141 -54.764 14.224 19.807 2 HA ILE 141 HA ILE 141 -54.379 16.714 21.231 3 HB ILE 141 HB ILE 141 -56.181 16.004 18.887 4 HG12 ILE 141 HG12 ILE 141 -53.459 17.350 18.872 5 HG13 ILE 141 HG13 ILE 141 -53.700 15.631 18.617 6 HG23 ILE 141 HG21 ILE 141 -57.041 18.082 19.678 7 HG22 ILE 141 HG22 ILE 141 -55.880 18.578 18.453 8 HG21 ILE 141 HG23 ILE 141 -55.442 18.654 20.148 9 HD12 ILE 141 HD11 ILE 141 -53.555 16.866 16.472 10 HD11 ILE 141 HD12 ILE 141 -54.977 17.803 16.936 11 HD13 ILE 141 HD13 ILE 141 -55.108 16.064 16.677 No H/Q in entry = 11 In of MODEL 2 1 H LEU 142 H LEU 142 -57.105 14.501 20.679 2 HA LEU 142 HA LEU 142 -58.973 16.072 22.212 3 HB2 LEU 142 HB2 LEU 142 -58.925 13.332 21.026 4 HB3 LEU 142 HB3 LEU 142 -60.114 13.657 22.283 5 HG LEU 142 HG LEU 142 -60.927 15.613 20.978 6 HD13 LEU 142 HD11 LEU 142 -58.828 16.135 19.817 7 HD12 LEU 142 HD12 LEU 142 -60.127 15.888 18.648 8 HD11 LEU 142 HD13 LEU 142 -58.934 14.618 18.920 9 HD21 LEU 142 HD21 LEU 142 -61.933 13.328 20.653 10 HD23 LEU 142 HD22 LEU 142 -60.848 13.086 19.283 11 HD22 LEU 142 HD23 LEU 142 -62.078 14.352 19.231 No H/Q in entry = 11 In of MODEL 2 1 H GLY 143 H GLY 143 -56.691 13.495 22.959 2 HA3 GLY 143 HA2 GLY 143 -55.788 13.006 25.106 3 HA2 GLY 143 HA3 GLY 143 -56.976 14.095 25.829 No H/Q in entry = 3 In of MODEL 2 1 H LEU 144 H LEU 144 -57.466 11.364 23.616 2 HA LEU 144 HA LEU 144 -59.658 10.343 25.144 3 HB2 LEU 144 HB2 LEU 144 -58.588 9.949 22.556 4 HB3 LEU 144 HB3 LEU 144 -58.577 8.374 23.352 5 HG LEU 144 HG LEU 144 -60.991 10.197 23.383 6 HD13 LEU 144 HD11 LEU 144 -60.456 9.644 21.049 7 HD12 LEU 144 HD12 LEU 144 -61.890 8.759 21.570 8 HD11 LEU 144 HD13 LEU 144 -60.333 7.937 21.468 9 HD21 LEU 144 HD21 LEU 144 -60.512 7.261 23.969 10 HD23 LEU 144 HD22 LEU 144 -62.118 7.978 23.843 11 HD22 LEU 144 HD23 LEU 144 -61.012 8.506 25.114 No H/Q in entry = 11 In of MODEL 2 1 H LYS 145 H LYS 145 -59.769 8.548 26.462 2 HA LYS 145 HA LYS 145 -57.509 7.916 28.026 3 HB2 LYS 145 HB2 LYS 145 -59.675 7.638 28.997 4 HB3 LYS 145 HB3 LYS 145 -60.186 6.556 27.699 5 HG2 LYS 145 HG2 LYS 145 -59.474 4.821 28.946 6 HG3 LYS 145 HG3 LYS 145 -57.826 5.420 28.748 7 HD2 LYS 145 HD2 LYS 145 -58.501 7.056 30.702 8 HD3 LYS 145 HD3 LYS 145 -59.732 5.837 31.031 9 HE2 LYS 145 HE2 LYS 145 -58.077 4.124 31.334 10 HE3 LYS 145 HE3 LYS 145 -56.798 5.164 30.708 11 HZ3 LYS 145 HZ1 LYS 145 -56.475 5.958 32.732 12 HZ2 LYS 145 HZ2 LYS 145 -57.661 4.907 33.343 13 HZ1 LYS 145 HZ3 LYS 145 -58.089 6.468 32.833 No H/Q in entry = 13 In of MODEL 2 1 H ILE 146 H ILE 146 -56.000 6.346 27.896 2 HA ILE 146 HA ILE 146 -56.113 4.563 25.544 3 HB ILE 146 HB ILE 146 -53.571 4.361 26.160 4 HG12 ILE 146 HG12 ILE 146 -54.204 5.825 28.292 5 HG13 ILE 146 HG13 ILE 146 -52.651 6.035 27.475 6 HG22 ILE 146 HG21 ILE 146 -53.208 6.571 24.871 7 HG21 ILE 146 HG22 ILE 146 -54.968 6.699 24.849 8 HG23 ILE 146 HG23 ILE 146 -54.172 5.324 24.080 9 HD11 ILE 146 HD11 ILE 146 -55.058 7.635 26.628 10 HD13 ILE 146 HD12 ILE 146 -53.350 7.995 26.376 11 HD12 ILE 146 HD13 ILE 146 -54.060 8.159 27.983 No H/Q in entry = 11 In of MODEL 2 1 H ILE 147 H ILE 147 -56.078 2.398 25.802 2 HA ILE 147 HA ILE 147 -56.529 1.300 28.414 3 HB ILE 147 HB ILE 147 -56.396 -0.903 27.100 4 HG12 ILE 147 HG12 ILE 147 -56.355 1.057 24.783 5 HG13 ILE 147 HG13 ILE 147 -54.987 0.052 25.267 6 HG22 ILE 147 HG21 ILE 147 -58.341 1.243 26.190 7 HG21 ILE 147 HG22 ILE 147 -58.507 0.271 27.653 8 HG23 ILE 147 HG23 ILE 147 -58.593 -0.499 26.070 9 HD12 ILE 147 HD11 ILE 147 -57.706 -0.961 24.378 10 HD11 ILE 147 HD12 ILE 147 -56.363 -1.977 24.904 11 HD13 ILE 147 HD13 ILE 147 -56.221 -1.019 23.429 No H/Q in entry = 11 In of MODEL 2 1 H ASP 148 H ASP 148 -53.867 1.176 26.074 2 HA ASP 148 HA ASP 148 -51.601 0.626 26.340 3 HB2 ASP 148 HB2 ASP 148 -52.172 0.945 29.307 4 HB3 ASP 148 HB3 ASP 148 -50.587 0.996 28.539 No H/Q in entry = 4 In of MODEL 2 1 H LEU 149 H LEU 149 -51.122 -1.462 25.872 2 HA LEU 149 HA LEU 149 -52.413 -3.674 27.244 3 HB2 LEU 149 HB2 LEU 149 -50.453 -3.339 25.006 4 HB3 LEU 149 HB3 LEU 149 -50.573 -4.919 25.775 5 HG LEU 149 HG LEU 149 -52.076 -4.583 23.754 6 HD12 LEU 149 HD11 LEU 149 -53.637 -5.078 26.298 7 HD11 LEU 149 HD12 LEU 149 -52.447 -6.226 25.688 8 HD13 LEU 149 HD13 LEU 149 -53.863 -5.828 24.716 9 HD21 LEU 149 HD21 LEU 149 -52.663 -2.168 24.574 10 HD23 LEU 149 HD22 LEU 149 -53.843 -2.981 25.603 11 HD22 LEU 149 HD23 LEU 149 -53.934 -3.139 23.847 No H/Q in entry = 11 In of MODEL 2 1 H SER 150 H SER 150 -49.896 -1.732 28.192 2 HA SER 150 HA SER 150 -48.200 -3.883 29.276 3 HB2 SER 150 HB2 SER 150 -46.879 -1.991 30.225 4 HB3 SER 150 HB3 SER 150 -47.178 -1.778 28.501 5 HG SER 150 HG SER 150 -47.653 -0.028 30.256 No H/Q in entry = 5 In of MODEL 2 1 H ALA 151 H ALA 151 -51.010 -2.178 30.275 2 HA ALA 151 HA ALA 151 -50.479 -2.360 33.151 3 HB2 ALA 151 HB1 ALA 151 -53.174 -1.860 31.844 4 HB3 ALA 151 HB2 ALA 151 -51.934 -0.612 31.962 5 HB1 ALA 151 HB3 ALA 151 -52.612 -1.322 33.425 No H/Q in entry = 5 In of MODEL 2 1 H ILE 152 H ILE 152 -50.496 -4.926 31.565 2 HA ILE 152 HA ILE 152 -52.921 -6.276 32.585 3 HB ILE 152 HB ILE 152 -50.519 -7.402 31.119 4 HG12 ILE 152 HG12 ILE 152 -51.603 -5.683 29.804 5 HG13 ILE 152 HG13 ILE 152 -51.985 -7.257 29.119 6 HG22 ILE 152 HG21 ILE 152 -52.528 -9.077 30.480 7 HG21 ILE 152 HG22 ILE 152 -53.111 -8.574 32.068 8 HG23 ILE 152 HG23 ILE 152 -51.531 -9.324 31.912 9 HD12 ILE 152 HD11 ILE 152 -53.760 -5.320 30.564 10 HD11 ILE 152 HD12 ILE 152 -54.114 -7.036 30.728 11 HD13 ILE 152 HD13 ILE 152 -54.098 -6.300 29.136 No H/Q in entry = 11 In of MODEL 2 1 H GLN 153 H GLN 153 -52.960 -7.075 34.636 2 HA GLN 153 HA GLN 153 -50.374 -7.684 36.005 3 HB2 GLN 153 HB2 GLN 153 -53.169 -7.165 37.035 4 HB3 GLN 153 HB3 GLN 153 -51.908 -7.842 38.063 5 HG2 GLN 153 HG2 GLN 153 -50.479 -5.885 37.589 6 HG3 GLN 153 HG3 GLN 153 -51.760 -5.198 36.591 7 HE21 GLN 153 HE21 GLN 153 -50.979 -3.705 38.809 8 HE22 GLN 153 HE22 GLN 153 -52.169 -3.779 40.013 No H/Q in entry = 8 In of MODEL 2 1 H ASP 154 H ASP 154 -53.009 -9.294 34.482 2 HA ASP 154 HA ASP 154 -52.220 -11.867 35.845 3 HB2 ASP 154 HB2 ASP 154 -54.960 -10.922 34.979 4 HB3 ASP 154 HB3 ASP 154 -54.598 -12.586 35.431 No H/Q in entry = 4 In of MODEL 2 1 H GLU 155 H GLU 155 -52.219 -13.727 34.541 2 HA GLU 155 HA GLU 155 -51.416 -13.370 31.814 3 HB2 GLU 155 HB2 GLU 155 -52.315 -15.828 33.352 4 HB3 GLU 155 HB3 GLU 155 -51.696 -15.891 31.701 5 HG2 GLU 155 HG2 GLU 155 -49.589 -14.847 32.444 6 HG3 GLU 155 HG3 GLU 155 -50.199 -14.783 34.099 No H/Q in entry = 6 In of MODEL 2 1 H VAL 156 H VAL 156 -52.612 -13.355 29.980 2 HA VAL 156 HA VAL 156 -55.406 -14.331 29.981 3 HB VAL 156 HB VAL 156 -56.270 -12.156 29.113 4 HG12 VAL 156 HG11 VAL 156 -54.950 -11.723 31.795 5 HG11 VAL 156 HG12 VAL 156 -56.277 -12.864 31.591 6 HG13 VAL 156 HG13 VAL 156 -56.522 -11.153 31.246 7 HG22 VAL 156 HG21 VAL 156 -54.158 -11.235 28.279 8 HG21 VAL 156 HG22 VAL 156 -53.506 -11.187 29.916 9 HG23 VAL 156 HG23 VAL 156 -54.851 -10.137 29.471 No H/Q in entry = 9 In of MODEL 2 1 H ILE 157 H ILE 157 -56.346 -14.209 27.717 2 HA ILE 157 HA ILE 157 -54.181 -14.622 25.702 3 HB ILE 157 HB ILE 157 -57.173 -15.148 25.472 4 HG12 ILE 157 HG12 ILE 157 -54.909 -17.136 25.888 5 HG13 ILE 157 HG13 ILE 157 -55.915 -16.533 27.197 6 HG22 ILE 157 HG21 ILE 157 -54.989 -16.330 23.736 7 HG21 ILE 157 HG22 ILE 157 -55.657 -14.749 23.359 8 HG23 ILE 157 HG23 ILE 157 -56.708 -16.157 23.385 9 HD12 ILE 157 HD11 ILE 157 -56.490 -18.723 25.454 10 HD11 ILE 157 HD12 ILE 157 -57.641 -17.455 25.047 11 HD13 ILE 157 HD13 ILE 157 -57.533 -18.050 26.701 No H/Q in entry = 11 In of MODEL 2 1 H LEU 158 H LEU 158 -54.165 -13.267 23.824 2 HA LEU 158 HA LEU 158 -55.527 -10.653 24.261 3 HB2 LEU 158 HB2 LEU 158 -53.074 -10.695 23.985 4 HB3 LEU 158 HB3 LEU 158 -53.270 -11.452 22.402 5 HG LEU 158 HG LEU 158 -54.544 -9.463 21.627 6 HD12 LEU 158 HD11 LEU 158 -54.182 -7.388 23.222 7 HD11 LEU 158 HD12 LEU 158 -54.056 -8.616 24.482 8 HD13 LEU 158 HD13 LEU 158 -55.527 -8.479 23.518 9 HD22 LEU 158 HD21 LEU 158 -52.169 -9.548 21.183 10 HD21 LEU 158 HD22 LEU 158 -51.799 -8.989 22.812 11 HD23 LEU 158 HD23 LEU 158 -52.560 -7.898 21.656 No H/Q in entry = 11 In of MODEL 2 1 H VAL 159 H VAL 159 -57.388 -10.326 23.177 2 HA VAL 159 HA VAL 159 -57.709 -11.529 20.430 3 HB VAL 159 HB VAL 159 -59.856 -10.945 22.499 4 HG12 VAL 159 HG11 VAL 159 -61.324 -12.155 20.927 5 HG11 VAL 159 HG12 VAL 159 -59.981 -12.301 19.792 6 HG13 VAL 159 HG13 VAL 159 -60.639 -10.712 20.182 7 HG22 VAL 159 HG21 VAL 159 -59.993 -13.311 22.840 8 HG21 VAL 159 HG22 VAL 159 -58.287 -12.888 22.979 9 HG23 VAL 159 HG23 VAL 159 -58.897 -13.632 21.500 No H/Q in entry = 9 In of MODEL 2 1 H ALA 160 H ALA 160 -58.045 -10.016 18.831 2 HA ALA 160 HA ALA 160 -59.330 -7.439 19.432 3 HB3 ALA 160 HB1 ALA 160 -56.483 -7.507 18.379 4 HB1 ALA 160 HB2 ALA 160 -56.908 -7.113 20.045 5 HB2 ALA 160 HB3 ALA 160 -57.447 -6.071 18.729 No H/Q in entry = 5 In of MODEL 2 1 H ALA 161 H ALA 161 -59.705 -6.211 17.350 2 HA ALA 161 HA ALA 161 -60.339 -8.051 15.206 3 HB1 ALA 161 HB1 ALA 161 -61.548 -5.857 15.669 4 HB2 ALA 161 HB2 ALA 161 -61.086 -6.108 13.987 5 HB3 ALA 161 HB3 ALA 161 -60.135 -5.032 15.010 No H/Q in entry = 5 In of MODEL 2 1 H ASP 162 H ASP 162 -57.738 -5.778 15.901 2 HA ASP 162 HA ASP 162 -55.855 -7.203 14.277 3 HB2 ASP 162 HB2 ASP 162 -55.409 -5.386 12.612 4 HB3 ASP 162 HB3 ASP 162 -56.976 -6.156 12.391 No H/Q in entry = 4 In of MODEL 2 1 H LEU 163 H LEU 163 -53.723 -6.484 14.735 2 HA LEU 163 HA LEU 163 -53.536 -4.342 16.835 3 HB2 LEU 163 HB2 LEU 163 -52.555 -7.041 16.681 4 HB3 LEU 163 HB3 LEU 163 -51.180 -5.943 16.777 5 HG LEU 163 HG LEU 163 -52.381 -4.799 18.715 6 HD13 LEU 163 HD11 LEU 163 -54.244 -5.808 19.790 7 HD12 LEU 163 HD12 LEU 163 -53.984 -7.360 18.996 8 HD11 LEU 163 HD13 LEU 163 -54.625 -6.001 18.080 9 HD21 LEU 163 HD21 LEU 163 -50.488 -6.476 18.931 10 HD23 LEU 163 HD22 LEU 163 -51.715 -7.707 19.247 11 HD22 LEU 163 HD23 LEU 163 -51.536 -6.339 20.341 No H/Q in entry = 11 In of MODEL 2 1 H THR 164 H THR 164 -52.109 -2.654 16.505 2 HA THR 164 HA THR 164 -50.797 -2.501 13.855 3 HB THR 164 HB THR 164 -50.420 -0.111 14.476 4 HG1 THR 164 HG1 THR 164 -52.030 0.113 16.520 5 HG21 THR 164 HG21 THR 164 -52.526 -0.870 13.350 6 HG23 THR 164 HG22 THR 164 -52.746 0.571 14.342 7 HG22 THR 164 HG23 THR 164 -53.278 -1.001 14.940 No H/Q in entry = 7 In of MODEL 2 1 HA PRO 165 HA PRO 165 -46.683 -3.596 15.216 2 HB2 PRO 165 HB2 PRO 165 -45.940 -0.868 14.171 3 HB3 PRO 165 HB3 PRO 165 -45.124 -2.427 13.923 4 HG2 PRO 165 HG2 PRO 165 -46.696 -1.366 12.043 5 HG3 PRO 165 HG3 PRO 165 -46.626 -3.113 12.317 6 HD2 PRO 165 HD2 PRO 165 -48.838 -1.224 12.939 7 HD3 PRO 165 HD3 PRO 165 -48.882 -2.985 12.707 No H/Q in entry = 7 In of MODEL 2 1 H SER 166 H SER 166 -47.814 -0.302 15.954 2 HA SER 166 HA SER 166 -45.961 0.309 18.001 3 HB2 SER 166 HB2 SER 166 -47.514 1.972 17.037 4 HB3 SER 166 HB3 SER 166 -48.866 1.153 17.817 5 HG SER 166 HG SER 166 -46.896 1.629 19.590 No H/Q in entry = 5 In of MODEL 2 1 H GLU 167 H GLU 167 -49.065 -1.427 18.183 2 HA GLU 167 HA GLU 167 -49.038 -1.626 21.055 3 HB2 GLU 167 HB2 GLU 167 -50.419 -3.348 18.974 4 HB3 GLU 167 HB3 GLU 167 -50.748 -3.402 20.706 5 HG2 GLU 167 HG2 GLU 167 -51.011 -0.912 18.997 6 HG3 GLU 167 HG3 GLU 167 -52.361 -1.953 19.452 No H/Q in entry = 6 In of MODEL 2 1 H THR 168 H THR 168 -47.900 -3.796 18.476 2 HA THR 168 HA THR 168 -47.269 -6.025 20.051 3 HB THR 168 HB THR 168 -45.772 -4.986 17.649 4 HG1 THR 168 HG1 THR 168 -47.194 -6.066 16.479 5 HG22 THR 168 HG21 THR 168 -45.151 -7.451 17.430 6 HG21 THR 168 HG22 THR 168 -45.667 -7.623 19.106 7 HG23 THR 168 HG23 THR 168 -44.329 -6.549 18.705 No H/Q in entry = 7 In of MODEL 2 1 H ALA 169 H ALA 169 -45.436 -3.026 19.773 2 HA ALA 169 HA ALA 169 -43.050 -4.105 21.019 3 HB3 ALA 169 HB1 ALA 169 -42.764 -2.132 19.727 4 HB1 ALA 169 HB2 ALA 169 -42.529 -1.639 21.405 5 HB2 ALA 169 HB3 ALA 169 -44.052 -1.292 20.584 No H/Q in entry = 5 In of MODEL 2 1 H GLN 170 H GLN 170 -45.635 -1.974 22.233 2 HA GLN 170 HA GLN 170 -44.699 -2.299 24.994 3 HB2 GLN 170 HB2 GLN 170 -46.640 -0.596 23.557 4 HB3 GLN 170 HB3 GLN 170 -47.127 -1.055 25.188 5 HG2 GLN 170 HG2 GLN 170 -44.354 -0.005 24.628 6 HG3 GLN 170 HG3 GLN 170 -45.698 1.093 24.927 7 HE21 GLN 170 HE21 GLN 170 -45.728 1.724 27.073 8 HE22 GLN 170 HE22 GLN 170 -45.348 0.728 28.394 No H/Q in entry = 8 In of MODEL 2 1 H LEU 171 H LEU 171 -45.492 -4.721 23.655 2 HA LEU 171 HA LEU 171 -48.055 -5.415 25.000 3 HB2 LEU 171 HB2 LEU 171 -47.255 -5.806 22.425 4 HB3 LEU 171 HB3 LEU 171 -46.718 -7.314 23.148 5 HG LEU 171 HG LEU 171 -49.533 -6.340 23.634 6 HD11 LEU 171 HD11 LEU 171 -48.508 -7.810 21.188 7 HD13 LEU 171 HD12 LEU 171 -49.385 -6.293 21.213 8 HD12 LEU 171 HD13 LEU 171 -50.201 -7.774 21.675 9 HD23 LEU 171 HD21 LEU 171 -48.436 -9.133 23.307 10 HD22 LEU 171 HD22 LEU 171 -49.933 -8.640 24.099 11 HD21 LEU 171 HD23 LEU 171 -48.381 -8.283 24.852 No H/Q in entry = 11 In of MODEL 2 1 H ASN 172 H ASN 172 -48.057 -6.991 26.601 2 HA ASN 172 HA ASN 172 -45.437 -7.795 27.697 3 HB2 ASN 172 HB2 ASN 172 -48.272 -7.866 28.621 4 HB3 ASN 172 HB3 ASN 172 -47.184 -9.082 29.285 5 HD21 ASN 172 HD21 ASN 172 -45.039 -8.145 30.196 6 HD22 ASN 172 HD22 ASN 172 -45.129 -6.640 30.978 No H/Q in entry = 6 In of MODEL 2 1 H LEU 173 H LEU 173 -44.524 -9.421 26.442 2 HA LEU 173 HA LEU 173 -45.999 -11.498 25.132 3 HB2 LEU 173 HB2 LEU 173 -43.130 -11.689 26.067 4 HB3 LEU 173 HB3 LEU 173 -43.870 -12.548 24.722 5 HG LEU 173 HG LEU 173 -43.413 -9.552 24.905 6 HD13 LEU 173 HD11 LEU 173 -41.733 -9.904 23.113 7 HD12 LEU 173 HD12 LEU 173 -42.131 -11.620 23.043 8 HD11 LEU 173 HD13 LEU 173 -41.354 -10.955 24.473 9 HD23 LEU 173 HD21 LEU 173 -44.135 -9.730 22.409 10 HD22 LEU 173 HD22 LEU 173 -45.403 -9.792 23.630 11 HD21 LEU 173 HD23 LEU 173 -44.842 -11.276 22.863 No H/Q in entry = 11 In of MODEL 2 1 H LYS 174 H LYS 174 -44.359 -11.442 28.324 2 HA LYS 174 HA LYS 174 -44.783 -14.216 28.863 3 HB2 LYS 174 HB2 LYS 174 -43.191 -12.552 30.019 4 HB3 LYS 174 HB3 LYS 174 -44.592 -12.080 30.978 5 HG2 LYS 174 HG2 LYS 174 -43.787 -13.763 32.334 6 HG3 LYS 174 HG3 LYS 174 -44.798 -14.738 31.264 7 HD2 LYS 174 HD2 LYS 174 -42.771 -15.893 31.153 8 HD3 LYS 174 HD3 LYS 174 -42.641 -14.816 29.763 9 HE2 LYS 174 HE2 LYS 174 -41.277 -13.242 31.027 10 HE3 LYS 174 HE3 LYS 174 -41.523 -14.171 32.509 11 HZ1 LYS 174 HZ1 LYS 174 -40.463 -16.080 31.337 12 HZ3 LYS 174 HZ2 LYS 174 -39.423 -14.772 31.636 13 HZ2 LYS 174 HZ3 LYS 174 -40.053 -15.015 30.077 No H/Q in entry = 13 In of MODEL 2 1 H LYS 175 H LYS 175 -46.872 -11.393 29.383 2 HA LYS 175 HA LYS 175 -48.680 -13.049 31.059 3 HB2 LYS 175 HB2 LYS 175 -49.208 -11.087 32.002 4 HB3 LYS 175 HB3 LYS 175 -48.077 -10.284 30.906 5 HG2 LYS 175 HG2 LYS 175 -50.999 -10.882 30.366 6 HG3 LYS 175 HG3 LYS 175 -50.268 -9.297 30.587 7 HD2 LYS 175 HD2 LYS 175 -48.733 -10.279 28.560 8 HD3 LYS 175 HD3 LYS 175 -50.284 -11.048 28.210 9 HE2 LYS 175 HE2 LYS 175 -51.400 -8.998 27.983 10 HE3 LYS 175 HE3 LYS 175 -50.169 -8.114 28.881 11 HZ1 LYS 175 HZ1 LYS 175 -48.742 -9.076 26.838 12 HZ3 LYS 175 HZ2 LYS 175 -49.476 -7.544 26.838 13 HZ2 LYS 175 HZ3 LYS 175 -50.250 -8.854 26.083 No H/Q in entry = 13 In of MODEL 2 1 H VAL 176 H VAL 176 -48.258 -12.440 27.769 2 HA VAL 176 HA VAL 176 -51.157 -12.902 27.169 3 HB VAL 176 HB VAL 176 -50.098 -11.049 25.930 4 HG11 VAL 176 HG11 VAL 176 -47.803 -12.348 26.115 5 HG13 VAL 176 HG12 VAL 176 -48.095 -11.245 24.774 6 HG12 VAL 176 HG13 VAL 176 -48.278 -12.985 24.541 7 HG22 VAL 176 HG21 VAL 176 -50.977 -11.635 23.811 8 HG21 VAL 176 HG22 VAL 176 -51.763 -12.838 24.825 9 HG23 VAL 176 HG23 VAL 176 -50.345 -13.278 23.871 No H/Q in entry = 9 In of MODEL 2 1 H LEU 177 H LEU 177 -51.617 -15.053 27.092 2 HA LEU 177 HA LEU 177 -49.483 -16.999 26.569 3 HB2 LEU 177 HB2 LEU 177 -51.078 -18.665 27.202 4 HB3 LEU 177 HB3 LEU 177 -51.334 -17.298 28.285 5 HG LEU 177 HG LEU 177 -53.074 -16.532 26.478 6 HD11 LEU 177 HD11 LEU 177 -52.223 -19.144 25.522 7 HD13 LEU 177 HD12 LEU 177 -53.212 -17.926 24.716 8 HD12 LEU 177 HD13 LEU 177 -53.962 -19.093 25.803 9 HD21 LEU 177 HD21 LEU 177 -53.296 -18.538 28.657 10 HD23 LEU 177 HD22 LEU 177 -54.660 -18.475 27.541 11 HD22 LEU 177 HD23 LEU 177 -54.172 -17.035 28.433 No H/Q in entry = 11 In of MODEL 2 1 H GLY 178 H GLY 178 -51.094 -15.147 24.479 2 HA3 GLY 178 HA2 GLY 178 -50.428 -16.596 22.197 3 HA2 GLY 178 HA3 GLY 178 -52.073 -17.114 22.592 No H/Q in entry = 3 In of MODEL 2 1 H PHE 179 H PHE 179 -51.883 -15.868 20.243 2 HA PHE 179 HA PHE 179 -53.053 -13.166 20.775 3 HB2 PHE 179 HB2 PHE 179 -51.334 -13.756 18.352 4 HB3 PHE 179 HB3 PHE 179 -51.831 -12.191 18.992 5 HD1 PHE 179 HD1 PHE 179 -49.313 -14.786 19.062 6 HD2 PHE 179 HD2 PHE 179 -50.910 -11.446 21.262 7 HE1 PHE 179 HE1 PHE 179 -47.227 -14.675 20.421 8 HE2 PHE 179 HE2 PHE 179 -48.832 -11.347 22.621 9 HZ PHE 179 HZ PHE 179 -46.989 -12.957 22.195 No H/Q in entry = 9 In of MODEL 2 1 H ILE 180 H ILE 180 -55.019 -12.983 19.804 2 HA ILE 180 HA ILE 180 -55.620 -14.719 17.447 3 HB ILE 180 HB ILE 180 -57.488 -14.205 19.771 4 HG12 ILE 180 HG12 ILE 180 -55.501 -15.743 20.178 5 HG13 ILE 180 HG13 ILE 180 -57.087 -16.471 20.417 6 HG21 ILE 180 HG21 ILE 180 -57.749 -15.473 17.072 7 HG23 ILE 180 HG22 ILE 180 -58.936 -14.554 18.003 8 HG22 ILE 180 HG23 ILE 180 -58.596 -16.237 18.421 9 HD13 ILE 180 HD11 ILE 180 -56.777 -17.967 18.716 10 HD12 ILE 180 HD12 ILE 180 -55.068 -17.534 18.798 11 HD11 ILE 180 HD13 ILE 180 -56.123 -16.729 17.642 No H/Q in entry = 11 In of MODEL 2 1 H THR 181 H THR 181 -56.338 -13.518 15.777 2 HA THR 181 HA THR 181 -57.932 -11.098 16.305 3 HB THR 181 HB THR 181 -56.493 -9.664 14.927 4 HG1 THR 181 HG1 THR 181 -55.506 -11.102 13.601 5 HG23 THR 181 HG21 THR 181 -54.724 -9.354 16.512 6 HG22 THR 181 HG22 THR 181 -54.828 -11.031 17.041 7 HG21 THR 181 HG23 THR 181 -56.134 -9.906 17.411 No H/Q in entry = 7 In of MODEL 2 1 H ASP 182 H ASP 182 -58.859 -10.170 14.346 2 HA ASP 182 HA ASP 182 -59.350 -12.298 12.288 3 HB2 ASP 182 HB2 ASP 182 -61.143 -9.975 12.135 4 HB3 ASP 182 HB3 ASP 182 -61.539 -11.674 12.340 No H/Q in entry = 4 In of MODEL 2 1 H ALA 183 H ALA 183 -56.987 -10.314 12.365 2 HA ALA 183 HA ALA 183 -57.322 -8.260 10.492 3 HB1 ALA 183 HB1 ALA 183 -54.918 -10.017 11.113 4 HB3 ALA 183 HB2 ALA 183 -55.301 -8.437 11.802 5 HB2 ALA 183 HB3 ALA 183 -54.837 -8.575 10.105 No H/Q in entry = 5 In of MODEL 2 1 H GLY 184 H GLY 184 -55.516 -8.729 8.424 2 HA3 GLY 184 HA2 GLY 184 -57.214 -10.067 6.493 3 HA2 GLY 184 HA3 GLY 184 -55.644 -9.335 6.163 No H/Q in entry = 3 In of MODEL 2 1 H GLY 185 H GLY 185 -53.853 -10.753 7.652 2 HA3 GLY 185 HA2 GLY 185 -54.203 -13.530 7.903 3 HA2 GLY 185 HA3 GLY 185 -53.739 -13.257 6.227 No H/Q in entry = 3 In of MODEL 2 1 H ARG 186 H ARG 186 -51.702 -14.184 6.354 2 HA ARG 186 HA ARG 186 -49.809 -13.697 8.449 3 HB2 ARG 186 HB2 ARG 186 -48.167 -14.667 6.946 4 HB3 ARG 186 HB3 ARG 186 -49.657 -15.595 6.867 5 HG2 ARG 186 HG2 ARG 186 -49.248 -15.357 4.582 6 HG3 ARG 186 HG3 ARG 186 -50.253 -13.950 4.859 7 HD2 ARG 186 HD2 ARG 186 -48.551 -12.511 4.356 8 HD3 ARG 186 HD3 ARG 186 -47.366 -13.394 5.297 9 HE ARG 186 HE ARG 186 -47.827 -14.966 3.026 10 HH21 ARG 186 HH11 ARG 186 -46.604 -14.796 1.151 11 HH22 ARG 186 HH12 ARG 186 -45.833 -13.293 0.767 12 HH11 ARG 186 HH21 ARG 186 -46.998 -11.675 3.576 13 HH12 ARG 186 HH22 ARG 186 -46.061 -11.532 2.135 No H/Q in entry = 13 In of MODEL 2 1 H THR 187 H THR 187 -50.702 -11.902 5.598 2 HA THR 187 HA THR 187 -48.310 -10.348 5.341 3 HB THR 187 HB THR 187 -49.649 -10.052 3.484 4 HG1 THR 187 HG1 THR 187 -49.271 -7.975 4.233 5 HG23 THR 187 HG21 THR 187 -51.558 -11.299 4.138 6 HG22 THR 187 HG22 THR 187 -52.181 -9.693 3.758 7 HG21 THR 187 HG23 THR 187 -51.942 -10.172 5.439 No H/Q in entry = 7 In of MODEL 2 1 H SER 188 H SER 188 -50.226 -10.597 7.966 2 HA SER 188 HA SER 188 -50.250 -7.728 8.698 3 HB2 SER 188 HB2 SER 188 -51.328 -10.243 9.970 4 HB3 SER 188 HB3 SER 188 -51.298 -8.712 10.837 5 HG SER 188 HG SER 188 -52.584 -7.824 9.240 No H/Q in entry = 5 In of MODEL 2 1 H HIS 189 H HIS 189 -48.710 -6.810 9.996 2 HA HIS 189 HA HIS 189 -46.221 -7.874 10.550 3 HB2 HIS 189 HB2 HIS 189 -47.808 -5.598 11.359 4 HB3 HIS 189 HB3 HIS 189 -46.837 -6.158 12.710 5 HD1 HIS 189 HD1 HIS 189 -44.483 -5.309 12.756 6 HD2 HIS 189 HD2 HIS 189 -46.078 -5.231 8.901 7 HE1 HIS 189 HE1 HIS 189 -42.685 -4.335 11.259 8 HE2 HIS 189 HE2 HIS 189 -43.645 -4.280 8.892 No H/Q in entry = 8 In of MODEL 2 1 H THR 190 H THR 190 -48.881 -7.704 12.934 2 HA THR 190 HA THR 190 -47.573 -9.074 15.017 3 HB THR 190 HB THR 190 -50.525 -9.356 14.444 4 HG1 THR 190 HG1 THR 190 -50.399 -7.246 14.410 5 HG23 THR 190 HG21 THR 190 -49.648 -10.662 16.329 6 HG22 THR 190 HG22 THR 190 -50.652 -9.336 16.917 7 HG21 THR 190 HG23 THR 190 -48.893 -9.213 16.995 No H/Q in entry = 7 In of MODEL 2 1 H SER 191 H SER 191 -49.299 -10.439 12.228 2 HA SER 191 HA SER 191 -49.433 -13.129 13.140 3 HB2 SER 191 HB2 SER 191 -49.780 -13.732 10.846 4 HB3 SER 191 HB3 SER 191 -50.520 -12.150 11.061 5 HG SER 191 HG SER 191 -48.513 -12.880 9.429 No H/Q in entry = 5 In of MODEL 2 1 H ILE 192 H ILE 192 -46.801 -11.420 11.460 2 HA ILE 192 HA ILE 192 -45.124 -13.696 11.086 3 HB ILE 192 HB ILE 192 -44.253 -10.817 11.505 4 HG12 ILE 192 HG12 ILE 192 -44.978 -12.261 8.937 5 HG13 ILE 192 HG13 ILE 192 -46.023 -11.104 9.759 6 HG23 ILE 192 HG21 ILE 192 -42.264 -11.404 10.320 7 HG22 ILE 192 HG22 ILE 192 -42.921 -12.966 9.834 8 HG21 ILE 192 HG23 ILE 192 -42.495 -12.677 11.517 9 HD13 ILE 192 HD11 ILE 192 -44.825 -9.942 8.000 10 HD12 ILE 192 HD12 ILE 192 -43.278 -10.549 8.590 11 HD11 ILE 192 HD13 ILE 192 -44.202 -9.395 9.555 No H/Q in entry = 11 In of MODEL 2 1 H MET 193 H MET 193 -45.527 -11.456 13.804 2 HA MET 193 HA MET 193 -43.298 -12.332 15.342 3 HB2 MET 193 HB2 MET 193 -45.942 -11.073 16.031 4 HB3 MET 193 HB3 MET 193 -44.851 -11.610 17.309 5 HG2 MET 193 HG2 MET 193 -44.274 -9.327 16.878 6 HG3 MET 193 HG3 MET 193 -43.016 -10.303 16.125 7 HE1 MET 193 HE1 MET 193 -42.279 -8.242 14.711 8 HE3 MET 193 HE2 MET 193 -42.758 -8.368 13.016 9 HE2 MET 193 HE3 MET 193 -42.165 -9.785 13.876 No H/Q in entry = 9 In of MODEL 2 1 H ALA 194 H ALA 194 -46.640 -13.638 15.200 2 HA ALA 194 HA ALA 194 -46.358 -15.502 17.320 3 HB1 ALA 194 HB1 ALA 194 -47.974 -15.634 14.752 4 HB2 ALA 194 HB2 ALA 194 -48.546 -15.154 16.351 5 HB3 ALA 194 HB3 ALA 194 -48.106 -16.834 16.042 No H/Q in entry = 5 In of MODEL 2 1 H ARG 195 H ARG 195 -45.548 -15.748 13.876 2 HA ARG 195 HA ARG 195 -44.704 -18.468 13.895 3 HB2 ARG 195 HB2 ARG 195 -43.881 -16.081 12.237 4 HB3 ARG 195 HB3 ARG 195 -43.212 -17.688 11.948 5 HG2 ARG 195 HG2 ARG 195 -46.196 -17.210 12.082 6 HG3 ARG 195 HG3 ARG 195 -45.294 -17.020 10.580 7 HD2 ARG 195 HD2 ARG 195 -45.692 -19.534 12.230 8 HD3 ARG 195 HD3 ARG 195 -46.079 -19.287 10.529 9 HE ARG 195 HE ARG 195 -43.510 -20.096 11.574 10 HH21 ARG 195 HH11 ARG 195 -41.866 -20.351 10.040 11 HH22 ARG 195 HH12 ARG 195 -42.014 -19.581 8.497 12 HH11 ARG 195 HH21 ARG 195 -45.093 -18.154 9.205 13 HH12 ARG 195 HH22 ARG 195 -43.840 -18.336 8.022 No H/Q in entry = 13 In of MODEL 2 1 H SER 196 H SER 196 -42.643 -15.537 14.082 2 HA SER 196 HA SER 196 -40.253 -16.916 14.735 3 HB2 SER 196 HB2 SER 196 -39.451 -14.682 15.452 4 HB3 SER 196 HB3 SER 196 -40.243 -14.639 13.881 5 HG SER 196 HG SER 196 -41.204 -13.020 14.954 No H/Q in entry = 5 In of MODEL 2 1 H LEU 197 H LEU 197 -42.752 -15.499 16.870 2 HA LEU 197 HA LEU 197 -41.199 -15.959 19.277 3 HB2 LEU 197 HB2 LEU 197 -44.038 -15.211 18.674 4 HB3 LEU 197 HB3 LEU 197 -43.654 -15.805 20.288 5 HG LEU 197 HG LEU 197 -43.503 -13.264 19.924 6 HD11 LEU 197 HD11 LEU 197 -42.486 -14.571 21.826 7 HD13 LEU 197 HD12 LEU 197 -41.635 -13.077 21.432 8 HD12 LEU 197 HD13 LEU 197 -40.987 -14.629 20.898 9 HD21 LEU 197 HD21 LEU 197 -42.176 -13.706 17.696 10 HD23 LEU 197 HD22 LEU 197 -40.778 -13.845 18.763 11 HD22 LEU 197 HD23 LEU 197 -41.708 -12.348 18.708 No H/Q in entry = 11 In of MODEL 2 1 H GLU 198 H GLU 198 -43.241 -17.915 17.286 2 HA GLU 198 HA GLU 198 -43.775 -20.159 17.362 3 HB2 GLU 198 HB2 GLU 198 -41.742 -20.321 19.612 4 HB3 GLU 198 HB3 GLU 198 -42.431 -21.678 18.735 5 HG2 GLU 198 HG2 GLU 198 -40.826 -19.448 17.460 6 HG3 GLU 198 HG3 GLU 198 -40.186 -21.035 17.882 No H/Q in entry = 6 In of MODEL 2 1 H LEU 199 H LEU 199 -45.553 -18.527 18.543 2 HA LEU 199 HA LEU 199 -46.447 -20.092 20.945 3 HB2 LEU 199 HB2 LEU 199 -46.283 -17.148 20.482 4 HB3 LEU 199 HB3 LEU 199 -47.725 -17.731 21.308 5 HG LEU 199 HG LEU 199 -45.781 -17.094 22.825 6 HD12 LEU 199 HD11 LEU 199 -46.501 -20.013 23.079 7 HD11 LEU 199 HD12 LEU 199 -47.698 -18.747 23.330 8 HD13 LEU 199 HD13 LEU 199 -46.269 -18.824 24.355 9 HD23 LEU 199 HD21 LEU 199 -44.561 -19.745 22.109 10 HD22 LEU 199 HD22 LEU 199 -43.797 -18.335 22.847 11 HD21 LEU 199 HD23 LEU 199 -44.163 -18.345 21.120 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 200 HA PRO 200 -49.954 -20.991 18.331 2 HB2 PRO 200 HB2 PRO 200 -51.971 -21.132 20.286 3 HB3 PRO 200 HB3 PRO 200 -50.902 -22.459 19.807 4 HG2 PRO 200 HG2 PRO 200 -50.757 -20.675 22.175 5 HG3 PRO 200 HG3 PRO 200 -50.270 -22.368 22.005 6 HD2 PRO 200 HD2 PRO 200 -48.465 -20.299 22.066 7 HD3 PRO 200 HD3 PRO 200 -48.146 -21.816 21.196 No H/Q in entry = 7 In of MODEL 2 1 H ALA 201 H ALA 201 -51.416 -19.747 17.148 2 HA ALA 201 HA ALA 201 -52.963 -17.598 18.333 3 HB2 ALA 201 HB1 ALA 201 -51.690 -15.764 16.957 4 HB1 ALA 201 HB2 ALA 201 -50.362 -16.927 16.950 5 HB3 ALA 201 HB3 ALA 201 -50.981 -16.306 18.480 No H/Q in entry = 5 In of MODEL 2 1 H ILE 202 H ILE 202 -54.414 -16.626 16.865 2 HA ILE 202 HA ILE 202 -54.444 -17.713 14.069 3 HB ILE 202 HB ILE 202 -56.913 -16.994 15.688 4 HG12 ILE 202 HG12 ILE 202 -55.695 -19.745 15.277 5 HG13 ILE 202 HG13 ILE 202 -55.652 -18.839 16.791 6 HG21 ILE 202 HG21 ILE 202 -56.415 -18.545 13.127 7 HG23 ILE 202 HG22 ILE 202 -57.317 -17.046 13.297 8 HG22 ILE 202 HG23 ILE 202 -57.964 -18.537 13.965 9 HD11 ILE 202 HD11 ILE 202 -58.216 -19.605 15.356 10 HD13 ILE 202 HD12 ILE 202 -58.078 -18.889 16.966 11 HD12 ILE 202 HD13 ILE 202 -57.513 -20.535 16.675 No H/Q in entry = 11 In of MODEL 2 1 H VAL 203 H VAL 203 -55.117 -16.153 12.454 2 HA VAL 203 HA VAL 203 -55.380 -13.326 13.448 3 HB VAL 203 HB VAL 203 -54.064 -12.662 11.413 4 HG13 VAL 203 HG11 VAL 203 -52.885 -12.664 13.485 5 HG12 VAL 203 HG12 VAL 203 -51.853 -13.550 12.367 6 HG11 VAL 203 HG13 VAL 203 -52.836 -14.425 13.540 7 HG22 VAL 203 HG21 VAL 203 -52.751 -14.392 10.273 8 HG21 VAL 203 HG22 VAL 203 -54.467 -14.771 10.147 9 HG23 VAL 203 HG23 VAL 203 -53.454 -15.635 11.305 No H/Q in entry = 9 In of MODEL 2 1 H GLY 204 H GLY 204 -56.677 -15.829 11.544 2 HA3 GLY 204 HA2 GLY 204 -58.263 -13.904 9.879 3 HA2 GLY 204 HA3 GLY 204 -57.931 -15.571 9.429 No H/Q in entry = 3 In of MODEL 2 1 H THR 205 H THR 205 -58.793 -14.909 12.745 2 HA THR 205 HA THR 205 -60.830 -16.759 12.958 3 HB THR 205 HB THR 205 -61.793 -15.120 14.725 4 HG1 THR 205 HG1 THR 205 -60.112 -13.499 15.183 5 HG22 THR 205 HG21 THR 205 -58.849 -15.739 14.979 6 HG21 THR 205 HG22 THR 205 -60.094 -16.982 15.123 7 HG23 THR 205 HG23 THR 205 -60.050 -15.646 16.266 No H/Q in entry = 7 In of MODEL 2 1 H GLY 206 H GLY 206 -61.194 -13.389 11.906 2 HA3 GLY 206 HA2 GLY 206 -62.767 -12.678 10.218 3 HA2 GLY 206 HA3 GLY 206 -63.676 -14.165 10.463 No H/Q in entry = 3 In of MODEL 2 1 H SER 207 H SER 207 -64.246 -14.140 13.175 2 HA SER 207 HA SER 207 -65.216 -11.480 13.955 3 HB2 SER 207 HB2 SER 207 -66.872 -12.264 12.239 4 HB3 SER 207 HB3 SER 207 -67.237 -13.634 13.284 5 HG SER 207 HG SER 207 -68.176 -11.144 13.400 No H/Q in entry = 5 In of MODEL 2 1 H VAL 208 H VAL 208 -63.557 -13.391 15.289 2 HA VAL 208 HA VAL 208 -65.210 -14.803 17.244 3 HB VAL 208 HB VAL 208 -62.235 -14.338 16.945 4 HG12 VAL 208 HG11 VAL 208 -62.040 -15.893 18.955 5 HG11 VAL 208 HG12 VAL 208 -63.740 -15.558 19.263 6 HG13 VAL 208 HG13 VAL 208 -62.563 -14.250 19.327 7 HG22 VAL 208 HG21 VAL 208 -62.180 -16.668 16.487 8 HG21 VAL 208 HG22 VAL 208 -63.623 -16.104 15.648 9 HG23 VAL 208 HG23 VAL 208 -63.772 -16.937 17.194 No H/Q in entry = 9 In of MODEL 2 1 H THR 209 H THR 209 -63.293 -11.807 17.217 2 HA THR 209 HA THR 209 -63.540 -11.133 19.953 3 HB THR 209 HB THR 209 -62.774 -9.040 19.373 4 HG1 THR 209 HG1 THR 209 -64.055 -7.877 18.221 5 HG22 THR 209 HG21 THR 209 -62.388 -10.281 16.647 6 HG21 THR 209 HG22 THR 209 -61.499 -10.884 18.047 7 HG23 THR 209 HG23 THR 209 -61.289 -9.215 17.519 No H/Q in entry = 7 In of MODEL 2 1 H SER 210 H SER 210 -65.942 -10.839 17.379 2 HA SER 210 HA SER 210 -67.715 -9.151 18.967 3 HB2 SER 210 HB2 SER 210 -68.189 -10.786 16.461 4 HB3 SER 210 HB3 SER 210 -69.377 -9.700 17.174 5 HG SER 210 HG SER 210 -67.142 -8.346 17.016 No H/Q in entry = 5 In of MODEL 2 1 H GLN 211 H GLN 211 -66.928 -12.442 18.931 2 HA GLN 211 HA GLN 211 -69.525 -13.255 20.150 3 HB2 GLN 211 HB2 GLN 211 -68.480 -14.580 18.254 4 HB3 GLN 211 HB3 GLN 211 -67.180 -15.006 19.364 5 HG2 GLN 211 HG2 GLN 211 -68.901 -16.873 19.471 6 HG3 GLN 211 HG3 GLN 211 -68.958 -15.906 20.941 7 HE21 GLN 211 HE21 GLN 211 -71.196 -15.989 21.399 8 HE22 GLN 211 HE22 GLN 211 -72.396 -15.423 20.339 No H/Q in entry = 8 In of MODEL 2 1 H VAL 212 H VAL 212 -66.330 -12.360 20.977 2 HA VAL 212 HA VAL 212 -66.484 -13.803 23.607 3 HB VAL 212 HB VAL 212 -64.111 -12.511 22.222 4 HG12 VAL 212 HG11 VAL 212 -64.179 -14.237 24.709 5 HG11 VAL 212 HG12 VAL 212 -64.004 -12.483 24.741 6 HG13 VAL 212 HG13 VAL 212 -62.769 -13.470 23.984 7 HG22 VAL 212 HG21 VAL 212 -64.760 -14.509 21.080 8 HG21 VAL 212 HG22 VAL 212 -65.013 -15.370 22.598 9 HG23 VAL 212 HG23 VAL 212 -63.379 -14.924 22.097 No H/Q in entry = 9 In of MODEL 2 1 H LYS 213 H LYS 213 -66.409 -12.705 25.511 2 HA LYS 213 HA LYS 213 -66.446 -9.706 25.427 3 HB2 LYS 213 HB2 LYS 213 -67.713 -11.699 27.348 4 HB3 LYS 213 HB3 LYS 213 -67.501 -10.002 27.759 5 HG2 LYS 213 HG2 LYS 213 -69.708 -10.139 26.908 6 HG3 LYS 213 HG3 LYS 213 -68.752 -9.453 25.595 7 HD2 LYS 213 HD2 LYS 213 -68.784 -11.439 24.350 8 HD3 LYS 213 HD3 LYS 213 -69.150 -12.442 25.748 9 HE2 LYS 213 HE2 LYS 213 -71.379 -12.265 25.332 10 HE3 LYS 213 HE3 LYS 213 -71.295 -10.504 25.336 11 HZ2 LYS 213 HZ1 LYS 213 -71.452 -12.288 23.129 12 HZ1 LYS 213 HZ2 LYS 213 -70.099 -11.277 22.990 13 HZ3 LYS 213 HZ3 LYS 213 -71.646 -10.599 23.169 No H/Q in entry = 13 In of MODEL 2 1 H ASN 214 H ASN 214 -65.138 -8.727 27.243 2 HA ASN 214 HA ASN 214 -62.663 -10.105 27.621 3 HB2 ASN 214 HB2 ASN 214 -62.080 -8.374 29.200 4 HB3 ASN 214 HB3 ASN 214 -62.980 -7.617 27.888 5 HD21 ASN 214 HD21 ASN 214 -62.944 -6.220 30.262 6 HD22 ASN 214 HD22 ASN 214 -64.437 -6.336 31.059 No H/Q in entry = 6 In of MODEL 2 1 H ASP 215 H ASP 215 -61.841 -11.119 29.504 2 HA ASP 215 HA ASP 215 -61.856 -12.385 31.453 3 HB2 ASP 215 HB2 ASP 215 -64.146 -10.596 31.884 4 HB3 ASP 215 HB3 ASP 215 -64.434 -12.174 32.593 No H/Q in entry = 4 In of MODEL 2 1 H ASP 216 H ASP 216 -63.373 -13.075 28.743 2 HA ASP 216 HA ASP 216 -65.058 -15.298 29.665 3 HB2 ASP 216 HB2 ASP 216 -64.417 -14.000 27.094 4 HB3 ASP 216 HB3 ASP 216 -64.504 -15.747 26.945 No H/Q in entry = 4 In of MODEL 2 1 H TYR 217 H TYR 217 -64.438 -17.480 29.649 2 HA TYR 217 HA TYR 217 -61.500 -17.955 29.639 3 HB2 TYR 217 HB2 TYR 217 -62.978 -18.813 31.512 4 HB3 TYR 217 HB3 TYR 217 -63.718 -19.906 30.344 5 HD1 TYR 217 HD1 TYR 217 -60.723 -19.171 32.335 6 HD2 TYR 217 HD2 TYR 217 -62.374 -21.711 29.270 7 HE1 TYR 217 HE1 TYR 217 -58.855 -20.783 32.662 8 HE2 TYR 217 HE2 TYR 217 -60.509 -23.321 29.600 9 HH TYR 217 HH TYR 217 -58.474 -23.267 32.270 No H/Q in entry = 9 In of MODEL 2 1 H LEU 218 H LEU 218 -60.575 -18.717 27.794 2 HA LEU 218 HA LEU 218 -62.274 -20.318 25.889 3 HB2 LEU 218 HB2 LEU 218 -60.133 -18.295 25.183 4 HB3 LEU 218 HB3 LEU 218 -61.106 -19.221 24.044 5 HG LEU 218 HG LEU 218 -62.197 -17.232 26.049 6 HD12 LEU 218 HD11 LEU 218 -61.861 -16.978 23.048 7 HD11 LEU 218 HD12 LEU 218 -60.804 -16.228 24.249 8 HD13 LEU 218 HD13 LEU 218 -62.499 -15.761 24.145 9 HD22 LEU 218 HD21 LEU 218 -64.028 -18.587 25.625 10 HD21 LEU 218 HD22 LEU 218 -63.442 -19.091 24.041 11 HD23 LEU 218 HD23 LEU 218 -64.171 -17.494 24.251 No H/Q in entry = 11 In of MODEL 2 1 H ILE 219 H ILE 219 -61.207 -21.999 24.795 2 HA ILE 219 HA ILE 219 -58.369 -22.533 25.663 3 HB ILE 219 HB ILE 219 -60.498 -24.568 24.925 4 HG12 ILE 219 HG12 ILE 219 -59.234 -23.939 27.613 5 HG13 ILE 219 HG13 ILE 219 -60.853 -23.439 27.141 6 HG22 ILE 219 HG21 ILE 219 -57.681 -24.876 25.994 7 HG21 ILE 219 HG22 ILE 219 -58.181 -25.216 24.337 8 HG23 ILE 219 HG23 ILE 219 -58.804 -26.195 25.663 9 HD12 ILE 219 HD11 ILE 219 -59.829 -26.196 27.746 10 HD11 ILE 219 HD12 ILE 219 -61.187 -26.014 26.628 11 HD13 ILE 219 HD13 ILE 219 -61.313 -25.421 28.284 No H/Q in entry = 11 In of MODEL 2 1 H LEU 220 H LEU 220 -56.965 -22.465 23.963 2 HA LEU 220 HA LEU 220 -58.101 -22.312 21.217 3 HB2 LEU 220 HB2 LEU 220 -56.705 -20.462 21.844 4 HB3 LEU 220 HB3 LEU 220 -55.460 -21.532 22.478 5 HG LEU 220 HG LEU 220 -54.950 -22.329 20.225 6 HD12 LEU 220 HD11 LEU 220 -56.102 -21.061 18.303 7 HD11 LEU 220 HD12 LEU 220 -57.326 -20.611 19.494 8 HD13 LEU 220 HD13 LEU 220 -57.047 -22.312 19.112 9 HD22 LEU 220 HD21 LEU 220 -53.976 -20.295 19.360 10 HD21 LEU 220 HD22 LEU 220 -53.965 -20.163 21.120 11 HD23 LEU 220 HD23 LEU 220 -55.184 -19.303 20.177 No H/Q in entry = 11 In of MODEL 2 1 H ASP 221 H ASP 221 -58.073 -24.159 20.052 2 HA ASP 221 HA ASP 221 -56.431 -26.436 20.852 3 HB2 ASP 221 HB2 ASP 221 -57.462 -27.612 19.004 4 HB3 ASP 221 HB3 ASP 221 -58.724 -26.645 19.766 No H/Q in entry = 4 In of MODEL 2 1 H ALA 222 H ALA 222 -56.461 -24.148 18.135 2 HA ALA 222 HA ALA 222 -54.808 -23.693 16.525 3 HB3 ALA 222 HB1 ALA 222 -53.356 -22.599 17.933 4 HB2 ALA 222 HB2 ALA 222 -52.405 -24.084 17.846 5 HB1 ALA 222 HB3 ALA 222 -53.519 -23.835 19.185 No H/Q in entry = 5 In of MODEL 2 1 H VAL 223 H VAL 223 -55.633 -26.602 17.280 2 HA VAL 223 HA VAL 223 -53.556 -27.939 15.585 3 HB VAL 223 HB VAL 223 -54.697 -28.781 18.227 4 HG12 VAL 223 HG11 VAL 223 -54.017 -31.169 17.536 5 HG11 VAL 223 HG12 VAL 223 -54.136 -30.589 15.873 6 HG13 VAL 223 HG13 VAL 223 -55.557 -30.569 16.921 7 HG21 VAL 223 HG21 VAL 223 -52.310 -27.952 17.767 8 HG23 VAL 223 HG22 VAL 223 -52.065 -29.473 16.907 9 HG22 VAL 223 HG23 VAL 223 -52.449 -29.490 18.626 No H/Q in entry = 9 In of MODEL 2 1 H ASN 224 H ASN 224 -56.862 -28.040 16.891 2 HA ASN 224 HA ASN 224 -57.784 -29.435 14.410 3 HB2 ASN 224 HB2 ASN 224 -58.584 -30.331 16.619 4 HB3 ASN 224 HB3 ASN 224 -59.342 -28.770 16.942 5 HD21 ASN 224 HD21 ASN 224 -61.509 -29.745 16.912 6 HD22 ASN 224 HD22 ASN 224 -62.225 -30.234 15.451 No H/Q in entry = 6 In of MODEL 2 1 H ASN 225 H ASN 225 -57.106 -26.458 15.492 2 HA ASN 225 HA ASN 225 -57.704 -24.307 14.833 3 HB2 ASN 225 HB2 ASN 225 -59.240 -25.714 12.632 4 HB3 ASN 225 HB3 ASN 225 -58.641 -24.054 12.611 5 HD21 ASN 225 HD21 ASN 225 -57.559 -25.049 10.529 6 HD22 ASN 225 HD22 ASN 225 -56.029 -25.757 10.740 No H/Q in entry = 6 In of MODEL 2 1 H GLN 226 H GLN 226 -59.231 -25.334 16.896 2 HA GLN 226 HA GLN 226 -61.921 -24.126 16.325 3 HB2 GLN 226 HB2 GLN 226 -62.052 -26.643 16.377 4 HB3 GLN 226 HB3 GLN 226 -61.451 -26.593 18.034 5 HG2 GLN 226 HG2 GLN 226 -63.389 -25.348 18.766 6 HG3 GLN 226 HG3 GLN 226 -63.940 -25.132 17.106 7 HE21 GLN 226 HE21 GLN 226 -63.955 -27.538 15.929 8 HE22 GLN 226 HE22 GLN 226 -64.803 -28.704 16.826 No H/Q in entry = 8 In of MODEL 2 1 H VAL 227 H VAL 227 -62.936 -23.215 18.208 2 HA VAL 227 HA VAL 227 -61.107 -22.771 20.535 3 HB VAL 227 HB VAL 227 -63.012 -20.767 19.279 4 HG12 VAL 227 HG11 VAL 227 -61.898 -19.220 20.960 5 HG11 VAL 227 HG12 VAL 227 -61.236 -20.663 21.732 6 HG13 VAL 227 HG13 VAL 227 -62.982 -20.425 21.659 7 HG22 VAL 227 HG21 VAL 227 -61.173 -19.745 18.323 8 HG21 VAL 227 HG22 VAL 227 -60.593 -21.410 18.309 9 HG23 VAL 227 HG23 VAL 227 -60.076 -20.304 19.585 No H/Q in entry = 9 In of MODEL 2 1 H TYR 228 H TYR 228 -62.025 -23.298 22.463 2 HA TYR 228 HA TYR 228 -64.934 -23.971 22.462 3 HB2 TYR 228 HB2 TYR 228 -62.667 -24.843 24.270 4 HB3 TYR 228 HB3 TYR 228 -64.363 -25.195 24.612 5 HD1 TYR 228 HD1 TYR 228 -61.502 -25.915 22.420 6 HD2 TYR 228 HD2 TYR 228 -65.661 -26.698 23.167 7 HE1 TYR 228 HE1 TYR 228 -61.415 -27.858 20.879 8 HE2 TYR 228 HE2 TYR 228 -65.572 -28.640 21.626 9 HH TYR 228 HH TYR 228 -64.337 -29.756 20.148 No H/Q in entry = 9 In of MODEL 2 1 H VAL 229 H VAL 229 -66.264 -22.580 23.433 2 HA VAL 229 HA VAL 229 -65.156 -20.518 25.254 3 HB VAL 229 HB VAL 229 -67.868 -20.620 23.905 4 HG12 VAL 229 HG11 VAL 229 -67.725 -18.117 24.465 5 HG11 VAL 229 HG12 VAL 229 -66.404 -18.548 25.548 6 HG13 VAL 229 HG13 VAL 229 -68.016 -19.209 25.819 7 HG22 VAL 229 HG21 VAL 229 -66.992 -19.346 22.166 8 HG21 VAL 229 HG22 VAL 229 -65.615 -20.389 22.526 9 HG23 VAL 229 HG23 VAL 229 -65.657 -18.740 23.147 No H/Q in entry = 9 In of MODEL 2 1 H ASN 230 H ASN 230 -65.312 -21.007 27.403 2 HA ASN 230 HA ASN 230 -66.170 -21.813 29.417 3 HB2 ASN 230 HB2 ASN 230 -67.884 -20.070 28.812 4 HB3 ASN 230 HB3 ASN 230 -68.860 -21.356 28.109 5 HD21 ASN 230 HD21 ASN 230 -70.065 -20.045 30.187 6 HD22 ASN 230 HD22 ASN 230 -70.033 -20.983 31.602 No H/Q in entry = 6 In of MODEL 2 1 HA PRO 231 HA PRO 231 -67.559 -25.831 27.290 2 HB2 PRO 231 HB2 PRO 231 -65.187 -27.037 26.763 3 HB3 PRO 231 HB3 PRO 231 -65.967 -25.924 25.624 4 HG2 PRO 231 HG2 PRO 231 -63.693 -25.446 27.480 5 HG3 PRO 231 HG3 PRO 231 -63.953 -24.845 25.836 6 HD2 PRO 231 HD2 PRO 231 -64.420 -23.361 28.135 7 HD3 PRO 231 HD3 PRO 231 -65.182 -23.039 26.562 No H/Q in entry = 7 In of MODEL 2 1 H THR 232 H THR 232 -67.669 -27.838 28.343 2 HA THR 232 HA THR 232 -67.228 -27.898 31.107 3 HB THR 232 HB THR 232 -67.816 -30.001 29.047 4 HG1 THR 232 HG1 THR 232 -69.683 -29.270 29.646 5 HG22 THR 232 HG21 THR 232 -68.063 -31.586 31.016 6 HG21 THR 232 HG22 THR 232 -67.139 -30.419 31.966 7 HG23 THR 232 HG23 THR 232 -66.401 -31.200 30.565 No H/Q in entry = 7 In of MODEL 2 1 H ASN 233 H ASN 233 -66.024 -30.295 31.723 2 HA ASN 233 HA ASN 233 -63.217 -29.592 31.388 3 HB2 ASN 233 HB2 ASN 233 -64.808 -31.143 33.299 4 HB3 ASN 233 HB3 ASN 233 -63.270 -31.900 32.885 5 HD21 ASN 233 HD21 ASN 233 -64.727 -29.394 34.752 6 HD22 ASN 233 HD22 ASN 233 -63.292 -28.645 35.264 No H/Q in entry = 6 In of MODEL 2 1 H GLU 234 H GLU 234 -65.485 -31.653 29.924 2 HA GLU 234 HA GLU 234 -63.802 -33.842 29.239 3 HB2 GLU 234 HB2 GLU 234 -65.559 -34.583 27.906 4 HB3 GLU 234 HB3 GLU 234 -66.405 -33.593 29.097 5 HG2 GLU 234 HG2 GLU 234 -66.255 -31.661 27.503 6 HG3 GLU 234 HG3 GLU 234 -65.582 -32.762 26.302 No H/Q in entry = 6 In of MODEL 2 1 H VAL 235 H VAL 235 -64.302 -30.651 27.894 2 HA VAL 235 HA VAL 235 -62.730 -31.284 25.508 3 HB VAL 235 HB VAL 235 -64.187 -28.779 26.398 4 HG11 VAL 235 HG11 VAL 235 -61.977 -28.668 24.908 5 HG13 VAL 235 HG12 VAL 235 -63.377 -27.660 24.541 6 HG12 VAL 235 HG13 VAL 235 -63.100 -29.148 23.636 7 HG22 VAL 235 HG21 VAL 235 -65.660 -29.318 24.492 8 HG21 VAL 235 HG22 VAL 235 -65.625 -30.649 25.649 9 HG23 VAL 235 HG23 VAL 235 -64.698 -30.756 24.151 No H/Q in entry = 9 In of MODEL 2 1 H ILE 236 H ILE 236 -62.634 -29.310 28.478 2 HA ILE 236 HA ILE 236 -60.142 -28.040 28.039 3 HB ILE 236 HB ILE 236 -61.243 -28.979 30.703 4 HG12 ILE 236 HG12 ILE 236 -61.825 -26.424 29.164 5 HG13 ILE 236 HG13 ILE 236 -62.973 -27.734 29.449 6 HG23 ILE 236 HG21 ILE 236 -58.957 -28.153 30.808 7 HG22 ILE 236 HG22 ILE 236 -60.032 -26.941 31.504 8 HG21 ILE 236 HG23 ILE 236 -59.392 -26.724 29.873 9 HD11 ILE 236 HD11 ILE 236 -62.439 -27.364 31.966 10 HD13 ILE 236 HD12 ILE 236 -63.483 -26.193 31.156 11 HD12 ILE 236 HD13 ILE 236 -61.784 -25.813 31.443 No H/Q in entry = 11 In of MODEL 2 1 H ASP 237 H ASP 237 -61.110 -31.249 28.659 2 HA ASP 237 HA ASP 237 -58.497 -32.041 29.595 3 HB2 ASP 237 HB2 ASP 237 -61.109 -33.422 29.334 4 HB3 ASP 237 HB3 ASP 237 -59.636 -34.378 29.449 No H/Q in entry = 4 In of MODEL 2 1 H LYS 238 H LYS 238 -60.453 -32.961 26.757 2 HA LYS 238 HA LYS 238 -58.701 -34.441 25.227 3 HB2 LYS 238 HB2 LYS 238 -60.494 -32.198 24.312 4 HB3 LYS 238 HB3 LYS 238 -59.703 -33.323 23.241 5 HG2 LYS 238 HG2 LYS 238 -61.033 -35.149 24.196 6 HG3 LYS 238 HG3 LYS 238 -61.826 -33.995 25.274 7 HD2 LYS 238 HD2 LYS 238 -62.957 -32.934 23.543 8 HD3 LYS 238 HD3 LYS 238 -61.761 -33.391 22.342 9 HE2 LYS 238 HE2 LYS 238 -62.887 -35.808 23.240 10 HE3 LYS 238 HE3 LYS 238 -64.240 -34.690 23.037 11 HZ3 LYS 238 HZ1 LYS 238 -64.053 -35.268 20.886 12 HZ2 LYS 238 HZ2 LYS 238 -62.448 -35.804 21.046 13 HZ1 LYS 238 HZ3 LYS 238 -62.779 -34.148 20.861 No H/Q in entry = 13 In of MODEL 2 1 H MET 239 H MET 239 -59.019 -30.922 25.265 2 HA MET 239 HA MET 239 -56.932 -30.233 23.563 3 HB2 MET 239 HB2 MET 239 -58.234 -28.777 25.846 4 HB3 MET 239 HB3 MET 239 -56.968 -28.054 24.871 5 HG2 MET 239 HG2 MET 239 -59.751 -28.821 24.099 6 HG3 MET 239 HG3 MET 239 -58.928 -27.280 23.903 7 HE1 MET 239 HE1 MET 239 -56.763 -26.839 22.223 8 HE3 MET 239 HE2 MET 239 -56.262 -27.871 20.889 9 HE2 MET 239 HE3 MET 239 -55.874 -28.340 22.542 No H/Q in entry = 9 In of MODEL 2 1 H ARG 240 H ARG 240 -56.932 -30.594 27.098 2 HA ARG 240 HA ARG 240 -54.289 -29.802 27.464 3 HB2 ARG 240 HB2 ARG 240 -56.348 -30.663 29.102 4 HB3 ARG 240 HB3 ARG 240 -55.110 -31.886 29.318 5 HG2 ARG 240 HG2 ARG 240 -54.553 -30.347 30.970 6 HG3 ARG 240 HG3 ARG 240 -53.503 -29.849 29.654 7 HD2 ARG 240 HD2 ARG 240 -55.392 -28.184 29.039 8 HD3 ARG 240 HD3 ARG 240 -56.051 -28.535 30.627 9 HE ARG 240 HE ARG 240 -53.300 -27.732 30.750 10 HH21 ARG 240 HH11 ARG 240 -52.773 -25.672 31.625 11 HH22 ARG 240 HH12 ARG 240 -54.016 -24.478 31.782 12 HH11 ARG 240 HH21 ARG 240 -56.546 -26.470 30.480 13 HH12 ARG 240 HH22 ARG 240 -56.125 -24.925 31.139 No H/Q in entry = 13 In of MODEL 2 1 H ALA 241 H ALA 241 -55.646 -32.861 26.441 2 HA ALA 241 HA ALA 241 -53.128 -34.274 26.582 3 HB3 ALA 241 HB1 ALA 241 -55.467 -35.340 26.712 4 HB2 ALA 241 HB2 ALA 241 -54.248 -36.158 25.734 5 HB1 ALA 241 HB3 ALA 241 -55.491 -35.180 24.955 No H/Q in entry = 5 In of MODEL 2 1 H VAL 242 H VAL 242 -54.849 -32.381 24.243 2 HA VAL 242 HA VAL 242 -53.400 -33.218 21.932 3 HB VAL 242 HB VAL 242 -54.889 -30.617 22.426 4 HG11 VAL 242 HG11 VAL 242 -53.316 -30.442 20.585 5 HG13 VAL 242 HG12 VAL 242 -54.981 -30.424 20.008 6 HG12 VAL 242 HG13 VAL 242 -54.007 -31.885 19.846 7 HG23 VAL 242 HG21 VAL 242 -56.025 -32.725 20.684 8 HG22 VAL 242 HG22 VAL 242 -56.827 -31.637 21.816 9 HG21 VAL 242 HG23 VAL 242 -56.004 -33.079 22.414 No H/Q in entry = 9 In of MODEL 2 1 H GLN 243 H GLN 243 -53.084 -30.769 24.335 2 HA GLN 243 HA GLN 243 -50.802 -29.361 23.469 3 HB2 GLN 243 HB2 GLN 243 -52.535 -28.777 25.187 4 HB3 GLN 243 HB3 GLN 243 -51.727 -29.893 26.264 5 HG2 GLN 243 HG2 GLN 243 -50.100 -27.829 24.972 6 HG3 GLN 243 HG3 GLN 243 -51.241 -27.322 26.215 7 HE21 GLN 243 HE21 GLN 243 -49.639 -26.815 27.755 8 HE22 GLN 243 HE22 GLN 243 -48.713 -28.011 28.524 No H/Q in entry = 8 In of MODEL 2 1 H GLU 244 H GLU 244 -51.218 -32.290 25.402 2 HA GLU 244 HA GLU 244 -48.502 -32.648 26.143 3 HB2 GLU 244 HB2 GLU 244 -50.350 -33.937 27.138 4 HB3 GLU 244 HB3 GLU 244 -50.598 -34.752 25.605 5 HG2 GLU 244 HG2 GLU 244 -48.394 -35.841 25.787 6 HG3 GLU 244 HG3 GLU 244 -48.030 -34.932 27.244 No H/Q in entry = 6 In of MODEL 2 1 H GLN 245 H GLN 245 -50.316 -33.707 23.264 2 HA GLN 245 HA GLN 245 -48.250 -35.243 22.105 3 HB2 GLN 245 HB2 GLN 245 -50.440 -33.663 20.751 4 HB3 GLN 245 HB3 GLN 245 -49.442 -34.870 19.968 5 HG2 GLN 245 HG2 GLN 245 -50.376 -36.562 21.558 6 HG3 GLN 245 HG3 GLN 245 -51.467 -35.319 22.159 7 HE21 GLN 245 HE21 GLN 245 -53.259 -34.692 20.916 8 HE22 GLN 245 HE22 GLN 245 -53.716 -35.468 19.479 No H/Q in entry = 8 In of MODEL 2 1 H VAL 246 H VAL 246 -49.265 -31.915 21.704 2 HA VAL 246 HA VAL 246 -47.458 -30.972 19.855 3 HB VAL 246 HB VAL 246 -49.074 -29.803 22.044 4 HG12 VAL 246 HG11 VAL 246 -48.224 -27.482 21.450 5 HG11 VAL 246 HG12 VAL 246 -46.828 -28.270 20.712 6 HG13 VAL 246 HG13 VAL 246 -47.137 -28.464 22.436 7 HG22 VAL 246 HG21 VAL 246 -50.034 -28.564 20.171 8 HG21 VAL 246 HG22 VAL 246 -50.001 -30.297 19.846 9 HG23 VAL 246 HG23 VAL 246 -48.810 -29.234 19.094 No H/Q in entry = 9 In of MODEL 2 1 H ALA 247 H ALA 247 -47.093 -31.145 23.382 2 HA ALA 247 HA ALA 247 -44.478 -30.073 23.451 3 HB3 ALA 247 HB1 ALA 247 -45.860 -31.817 25.471 4 HB1 ALA 247 HB2 ALA 247 -45.941 -30.057 25.385 5 HB2 ALA 247 HB3 ALA 247 -44.409 -30.853 25.748 No H/Q in entry = 5 In of MODEL 2 1 H SER 248 H SER 248 -45.594 -33.418 23.133 2 HA SER 248 HA SER 248 -43.025 -34.643 23.390 3 HB2 SER 248 HB2 SER 248 -45.429 -35.623 21.855 4 HB3 SER 248 HB3 SER 248 -44.041 -36.581 22.341 5 HG SER 248 HG SER 248 -45.360 -35.184 24.328 No H/Q in entry = 5 In of MODEL 2 1 H GLU 249 H GLU 249 -44.942 -33.379 20.692 2 HA GLU 249 HA GLU 249 -43.287 -34.240 18.601 3 HB2 GLU 249 HB2 GLU 249 -44.984 -31.780 18.870 4 HB3 GLU 249 HB3 GLU 249 -44.105 -32.178 17.403 5 HG2 GLU 249 HG2 GLU 249 -46.132 -33.980 18.726 6 HG3 GLU 249 HG3 GLU 249 -46.490 -32.904 17.386 No H/Q in entry = 6 In of MODEL 2 1 H LYS 250 H LYS 250 -43.044 -31.377 20.708 2 HA LYS 250 HA LYS 250 -40.819 -30.247 19.373 3 HB2 LYS 250 HB2 LYS 250 -42.115 -29.000 21.095 4 HB3 LYS 250 HB3 LYS 250 -41.445 -30.049 22.325 5 HG2 LYS 250 HG2 LYS 250 -39.203 -29.222 21.763 6 HG3 LYS 250 HG3 LYS 250 -39.916 -28.141 20.573 7 HD2 LYS 250 HD2 LYS 250 -40.711 -28.091 23.478 8 HD3 LYS 250 HD3 LYS 250 -39.382 -27.123 22.834 9 HE2 LYS 250 HE2 LYS 250 -42.296 -27.001 22.130 10 HE3 LYS 250 HE3 LYS 250 -41.251 -25.709 22.713 11 HZ2 LYS 250 HZ1 LYS 250 -41.242 -26.991 20.068 12 HZ1 LYS 250 HZ2 LYS 250 -39.982 -25.993 20.620 13 HZ3 LYS 250 HZ3 LYS 250 -41.552 -25.370 20.448 No H/Q in entry = 13 In of MODEL 2 1 H ALA 251 H ALA 251 -41.050 -32.251 22.267 2 HA ALA 251 HA ALA 251 -38.404 -32.622 22.818 3 HB3 ALA 251 HB1 ALA 251 -40.660 -34.559 23.136 4 HB1 ALA 251 HB2 ALA 251 -40.051 -33.400 24.317 5 HB2 ALA 251 HB3 ALA 251 -39.058 -34.776 23.838 No H/Q in entry = 5 In of MODEL 2 1 H GLU 252 H GLU 252 -40.282 -34.441 20.401 2 HA GLU 252 HA GLU 252 -38.112 -36.228 19.816 3 HB2 GLU 252 HB2 GLU 252 -40.600 -35.570 18.249 4 HB3 GLU 252 HB3 GLU 252 -39.464 -36.839 17.828 5 HG2 GLU 252 HG2 GLU 252 -41.049 -36.695 20.401 6 HG3 GLU 252 HG3 GLU 252 -41.446 -37.704 19.021 No H/Q in entry = 6 In of MODEL 2 1 H LEU 253 H LEU 253 -39.494 -33.465 18.036 2 HA LEU 253 HA LEU 253 -37.665 -33.313 15.929 3 HB2 LEU 253 HB2 LEU 253 -39.824 -31.989 16.298 4 HB3 LEU 253 HB3 LEU 253 -38.860 -30.913 17.308 5 HG LEU 253 HG LEU 253 -37.272 -31.088 15.095 6 HD12 LEU 253 HD11 LEU 253 -40.013 -30.800 13.913 7 HD11 LEU 253 HD12 LEU 253 -39.334 -32.414 14.115 8 HD13 LEU 253 HD13 LEU 253 -38.498 -31.223 13.118 9 HD23 LEU 253 HD21 LEU 253 -38.445 -28.897 14.429 10 HD22 LEU 253 HD22 LEU 253 -37.774 -28.983 16.058 11 HD21 LEU 253 HD23 LEU 253 -39.507 -29.192 15.805 No H/Q in entry = 11 In of MODEL 2 1 H ALA 254 H ALA 254 -37.457 -32.090 19.208 2 HA ALA 254 HA ALA 254 -35.304 -30.422 19.217 3 HB2 ALA 254 HB1 ALA 254 -36.797 -31.754 21.106 4 HB1 ALA 254 HB2 ALA 254 -35.477 -30.633 21.434 5 HB3 ALA 254 HB3 ALA 254 -35.168 -32.368 21.381 No H/Q in entry = 5 In of MODEL 2 1 H LYS 255 H LYS 255 -35.227 -33.791 18.537 2 HA LYS 255 HA LYS 255 -32.483 -34.310 19.143 3 HB2 LYS 255 HB2 LYS 255 -34.191 -35.751 17.100 4 HB3 LYS 255 HB3 LYS 255 -32.804 -36.385 17.983 5 HG2 LYS 255 HG2 LYS 255 -35.259 -35.409 19.440 6 HG3 LYS 255 HG3 LYS 255 -35.171 -37.051 18.805 7 HD2 LYS 255 HD2 LYS 255 -33.098 -37.428 20.113 8 HD3 LYS 255 HD3 LYS 255 -33.222 -35.791 20.764 9 HE2 LYS 255 HE2 LYS 255 -35.401 -36.324 21.763 10 HE3 LYS 255 HE3 LYS 255 -35.339 -37.948 21.070 11 HZ2 LYS 255 HZ1 LYS 255 -33.686 -36.795 23.232 12 HZ1 LYS 255 HZ2 LYS 255 -33.116 -38.115 22.324 13 HZ3 LYS 255 HZ3 LYS 255 -34.557 -38.251 23.215 No H/Q in entry = 13 In of MODEL 2 1 H LEU 256 H LEU 256 -30.863 -34.893 17.466 2 HA LEU 256 HA LEU 256 -30.312 -32.732 15.754 3 HB2 LEU 256 HB2 LEU 256 -28.621 -34.332 16.674 4 HB3 LEU 256 HB3 LEU 256 -29.215 -35.547 15.542 5 HG LEU 256 HG LEU 256 -28.719 -33.975 13.660 6 HD13 LEU 256 HD11 LEU 256 -28.721 -31.821 14.494 7 HD12 LEU 256 HD12 LEU 256 -26.988 -32.142 14.486 8 HD11 LEU 256 HD13 LEU 256 -27.902 -32.281 15.987 9 HD23 LEU 256 HD21 LEU 256 -26.251 -34.207 13.800 10 HD22 LEU 256 HD22 LEU 256 -27.076 -35.689 14.281 11 HD21 LEU 256 HD23 LEU 256 -26.399 -34.618 15.508 No H/Q in entry = 11 In of MODEL 2 1 H LYS 257 H LYS 257 -31.434 -36.024 14.939 2 HA LYS 257 HA LYS 257 -31.955 -36.845 12.766 3 HB2 LYS 257 HB2 LYS 257 -34.283 -36.262 12.378 4 HB3 LYS 257 HB3 LYS 257 -34.009 -36.409 14.117 5 HG2 LYS 257 HG2 LYS 257 -33.678 -33.942 14.237 6 HG3 LYS 257 HG3 LYS 257 -34.067 -33.829 12.521 7 HD2 LYS 257 HD2 LYS 257 -36.275 -34.973 13.070 8 HD3 LYS 257 HD3 LYS 257 -35.882 -34.713 14.774 9 HE2 LYS 257 HE2 LYS 257 -36.273 -32.621 12.623 10 HE3 LYS 257 HE3 LYS 257 -37.198 -32.834 14.110 11 HZ1 LYS 257 HZ1 LYS 257 -34.288 -32.233 14.085 12 HZ3 LYS 257 HZ2 LYS 257 -35.339 -32.183 15.424 13 HZ2 LYS 257 HZ3 LYS 257 -35.476 -31.028 14.179 No H/Q in entry = 13 In of MODEL 2 1 H ASP 258 H ASP 258 -30.047 -34.756 12.372 2 HA ASP 258 HA ASP 258 -30.955 -32.822 10.499 3 HB2 ASP 258 HB2 ASP 258 -28.295 -33.810 11.433 4 HB3 ASP 258 HB3 ASP 258 -28.365 -32.856 9.959 No H/Q in entry = 4 In of MODEL 2 1 H LEU 259 H LEU 259 -30.871 -32.768 8.314 2 HA LEU 259 HA LEU 259 -30.282 -35.316 6.919 3 HB2 LEU 259 HB2 LEU 259 -32.274 -33.216 6.037 4 HB3 LEU 259 HB3 LEU 259 -32.054 -34.832 5.369 5 HG LEU 259 HG LEU 259 -32.794 -34.407 8.270 6 HD12 LEU 259 HD11 LEU 259 -34.675 -34.792 5.923 7 HD11 LEU 259 HD12 LEU 259 -34.505 -33.309 6.865 8 HD13 LEU 259 HD13 LEU 259 -35.135 -34.769 7.624 9 HD23 LEU 259 HD21 LEU 259 -33.915 -36.747 7.211 10 HD22 LEU 259 HD22 LEU 259 -32.495 -36.640 8.250 11 HD21 LEU 259 HD23 LEU 259 -32.305 -36.663 6.498 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 260 HA PRO 260 -27.282 -31.821 5.745 2 HB2 PRO 260 HB2 PRO 260 -25.741 -34.328 5.225 3 HB3 PRO 260 HB3 PRO 260 -25.215 -32.808 5.964 4 HG2 PRO 260 HG2 PRO 260 -25.732 -35.018 7.400 5 HG3 PRO 260 HG3 PRO 260 -25.979 -33.380 8.024 6 HD2 PRO 260 HD2 PRO 260 -27.993 -35.402 7.259 7 HD3 PRO 260 HD3 PRO 260 -28.160 -33.978 8.306 No H/Q in entry = 7 In of MODEL 2 1 H ALA 261 H ALA 261 -27.012 -34.932 4.019 2 HA ALA 261 HA ALA 261 -28.381 -34.015 1.707 3 HB1 ALA 261 HB1 ALA 261 -26.744 -32.814 0.769 4 HB3 ALA 261 HB2 ALA 261 -25.910 -34.343 0.494 5 HB2 ALA 261 HB3 ALA 261 -25.556 -33.392 1.936 No H/Q in entry = 5 In of MODEL 2 1 H ILE 262 H ILE 262 -29.322 -36.186 2.215 2 HA ILE 262 HA ILE 262 -27.667 -38.370 1.112 3 HB ILE 262 HB ILE 262 -29.453 -39.720 2.671 4 HG12 ILE 262 HG12 ILE 262 -29.435 -38.585 4.897 5 HG13 ILE 262 HG13 ILE 262 -28.778 -37.154 4.126 6 HG22 ILE 262 HG21 ILE 262 -27.642 -39.902 4.371 7 HG21 ILE 262 HG22 ILE 262 -26.777 -38.616 3.532 8 HG23 ILE 262 HG23 ILE 262 -27.075 -40.153 2.719 9 HD13 ILE 262 HD11 ILE 262 -30.796 -36.803 2.878 10 HD12 ILE 262 HD12 ILE 262 -31.272 -37.113 4.549 11 HD11 ILE 262 HD13 ILE 262 -31.426 -38.385 3.335 No H/Q in entry = 11 In of MODEL 2 1 H THR 263 H THR 263 -28.529 -39.261 -0.629 2 HA THR 263 HA THR 263 -31.075 -38.690 -1.713 3 HB THR 263 HB THR 263 -30.654 -40.643 -3.108 4 HG1 THR 263 HG1 THR 263 -29.649 -41.851 -1.364 5 HG23 THR 263 HG21 THR 263 -28.909 -39.690 -4.306 6 HG22 THR 263 HG22 THR 263 -28.016 -39.248 -2.849 7 HG21 THR 263 HG23 THR 263 -29.448 -38.330 -3.320 No H/Q in entry = 7 In of MODEL 2 1 H LEU 264 H LEU 264 -32.834 -40.162 -1.923 2 HA LEU 264 HA LEU 264 -34.005 -41.321 0.271 3 HB2 LEU 264 HB2 LEU 264 -35.170 -40.902 -1.849 4 HB3 LEU 264 HB3 LEU 264 -34.286 -42.232 -2.600 5 HG LEU 264 HG LEU 264 -35.775 -42.677 -0.058 6 HD11 LEU 264 HD11 LEU 264 -37.137 -42.338 -2.682 7 HD13 LEU 264 HD12 LEU 264 -37.643 -41.851 -1.065 8 HD12 LEU 264 HD13 LEU 264 -37.737 -43.546 -1.547 9 HD22 LEU 264 HD21 LEU 264 -34.901 -44.751 -0.341 10 HD21 LEU 264 HD22 LEU 264 -34.380 -44.380 -1.985 11 HD23 LEU 264 HD23 LEU 264 -36.014 -44.975 -1.695 No H/Q in entry = 11 In of MODEL 2 1 H ASP 265 H ASP 265 -31.842 -42.928 -2.031 2 HA ASP 265 HA ASP 265 -32.025 -45.395 -0.520 3 HB2 ASP 265 HB2 ASP 265 -30.622 -46.343 -2.333 4 HB3 ASP 265 HB3 ASP 265 -32.149 -45.660 -2.874 No H/Q in entry = 4 In of MODEL 2 1 H GLY 266 H GLY 266 -30.449 -42.984 0.524 2 HA3 GLY 266 HA2 GLY 266 -28.911 -43.183 2.241 3 HA2 GLY 266 HA3 GLY 266 -28.483 -44.757 1.650 No H/Q in entry = 3 In of MODEL 2 1 H HIS 267 H HIS 267 -28.010 -42.256 -0.660 2 HA HIS 267 HA HIS 267 -25.118 -42.564 -0.272 3 HB2 HIS 267 HB2 HIS 267 -26.433 -42.770 -2.557 4 HB3 HIS 267 HB3 HIS 267 -26.350 -41.019 -2.536 5 HD1 HIS 267 HD1 HIS 267 -24.043 -39.944 -2.927 6 HD2 HIS 267 HD2 HIS 267 -23.985 -44.095 -3.029 7 HE1 HIS 267 HE1 HIS 267 -21.790 -40.561 -3.870 8 HE2 HIS 267 HE2 HIS 267 -21.771 -43.083 -3.908 No H/Q in entry = 8 In of MODEL 2 1 H GLN 268 H GLN 268 -24.006 -41.044 0.724 2 HA GLN 268 HA GLN 268 -25.264 -38.434 1.161 3 HB2 GLN 268 HB2 GLN 268 -23.796 -38.192 3.030 4 HB3 GLN 268 HB3 GLN 268 -24.640 -39.730 3.126 5 HG2 GLN 268 HG2 GLN 268 -22.543 -40.434 3.608 6 HG3 GLN 268 HG3 GLN 268 -22.486 -40.572 1.856 7 HE21 GLN 268 HE21 GLN 268 -21.904 -38.171 4.464 8 HE22 GLN 268 HE22 GLN 268 -20.537 -37.473 3.736 No H/Q in entry = 8 In of MODEL 2 1 H VAL 269 H VAL 269 -24.329 -36.531 0.717 2 HA VAL 269 HA VAL 269 -21.544 -36.506 -0.226 3 HB VAL 269 HB VAL 269 -23.778 -34.999 -1.613 4 HG13 VAL 269 HG11 VAL 269 -22.244 -33.497 -2.098 5 HG12 VAL 269 HG12 VAL 269 -21.408 -34.743 -3.026 6 HG11 VAL 269 HG13 VAL 269 -20.978 -34.460 -1.339 7 HG23 VAL 269 HG21 VAL 269 -22.530 -36.262 -3.575 8 HG22 VAL 269 HG22 VAL 269 -23.837 -37.015 -2.659 9 HG21 VAL 269 HG23 VAL 269 -22.155 -37.388 -2.272 No H/Q in entry = 9 In of MODEL 2 1 H GLU 270 H GLU 270 -20.525 -34.319 0.058 2 HA GLU 270 HA GLU 270 -21.745 -32.955 2.333 3 HB2 GLU 270 HB2 GLU 270 -19.147 -32.566 0.869 4 HB3 GLU 270 HB3 GLU 270 -19.699 -31.525 2.161 5 HG2 GLU 270 HG2 GLU 270 -18.225 -32.952 3.239 6 HG3 GLU 270 HG3 GLU 270 -19.781 -33.701 3.570 No H/Q in entry = 6 In of MODEL 2 1 H VAL 271 H VAL 271 -22.217 -30.742 2.218 2 HA VAL 271 HA VAL 271 -22.469 -29.509 -0.420 3 HB VAL 271 HB VAL 271 -24.788 -29.104 -0.185 4 HG11 VAL 271 HG11 VAL 271 -24.078 -31.536 -0.569 5 HG13 VAL 271 HG12 VAL 271 -25.761 -31.197 -0.168 6 HG12 VAL 271 HG13 VAL 271 -24.664 -31.803 1.071 7 HG23 VAL 271 HG21 VAL 271 -25.995 -29.799 1.956 8 HG22 VAL 271 HG22 VAL 271 -24.977 -28.361 2.047 9 HG21 VAL 271 HG23 VAL 271 -24.396 -29.897 2.692 No H/Q in entry = 9 In of MODEL 2 1 H CYS 272 H CYS 272 -21.421 -27.645 -0.105 2 HA CYS 272 HA CYS 272 -21.420 -26.431 2.595 3 HB2 CYS 272 HB2 CYS 272 -19.235 -26.813 2.678 4 HB3 CYS 272 HB3 CYS 272 -19.328 -27.669 1.151 5 HG CYS 272 HG CYS 272 -19.119 -25.100 0.196 No H/Q in entry = 5 In of MODEL 2 1 H ALA 273 H ALA 273 -20.356 -24.279 2.516 2 HA ALA 273 HA ALA 273 -21.491 -22.825 0.251 3 HB2 ALA 273 HB1 ALA 273 -22.166 -22.212 2.545 4 HB3 ALA 273 HB2 ALA 273 -21.457 -20.890 1.613 5 HB1 ALA 273 HB3 ALA 273 -20.503 -21.714 2.848 No H/Q in entry = 5 In of MODEL 2 1 H ASN 274 H ASN 274 -20.312 -21.528 -1.034 2 HA ASN 274 HA ASN 274 -17.380 -21.499 -0.824 3 HB2 ASN 274 HB2 ASN 274 -18.394 -21.623 -3.065 4 HB3 ASN 274 HB3 ASN 274 -19.374 -20.209 -2.706 5 HD21 ASN 274 HD21 ASN 274 -17.917 -20.036 -4.923 6 HD22 ASN 274 HD22 ASN 274 -16.562 -19.037 -4.719 No H/Q in entry = 6 In of MODEL 2 1 H ILE 275 H ILE 275 -16.440 -19.652 0.148 2 HA ILE 275 HA ILE 275 -18.271 -17.402 0.670 3 HB ILE 275 HB ILE 275 -17.048 -16.970 2.872 4 HG12 ILE 275 HG12 ILE 275 -16.365 -19.898 2.654 5 HG13 ILE 275 HG13 ILE 275 -15.230 -18.601 2.365 6 HG23 ILE 275 HG21 ILE 275 -18.798 -17.806 4.012 7 HG22 ILE 275 HG22 ILE 275 -18.578 -19.435 3.373 8 HG21 ILE 275 HG23 ILE 275 -19.404 -18.212 2.406 9 HD11 ILE 275 HD11 ILE 275 -16.598 -19.200 5.013 10 HD13 ILE 275 HD12 ILE 275 -15.447 -17.894 4.734 11 HD12 ILE 275 HD13 ILE 275 -14.922 -19.572 4.605 No H/Q in entry = 11 In of MODEL 2 1 H GLY 276 H GLY 276 -17.155 -15.437 1.398 2 HA3 GLY 276 HA2 GLY 276 -14.601 -15.094 -0.011 3 HA2 GLY 276 HA3 GLY 276 -15.877 -13.891 -0.027 No H/Q in entry = 3 In of MODEL 2 1 H THR 277 H THR 277 -16.261 -14.680 2.938 2 HA THR 277 HA THR 277 -14.210 -13.149 4.335 3 HB THR 277 HB THR 277 -16.921 -11.889 3.870 4 HG1 THR 277 HG1 THR 277 -14.796 -10.783 2.534 5 HG22 THR 277 HG21 THR 277 -15.202 -9.870 4.294 6 HG21 THR 277 HG22 THR 277 -14.328 -11.145 5.140 7 HG23 THR 277 HG23 THR 277 -15.975 -10.736 5.620 No H/Q in entry = 7 In of MODEL 2 1 H VAL 278 H VAL 278 -14.515 -13.524 6.623 2 HA VAL 278 HA VAL 278 -16.098 -15.371 7.840 3 HB VAL 278 HB VAL 278 -16.357 -13.605 9.743 4 HG12 VAL 278 HG11 VAL 278 -13.548 -14.182 8.786 5 HG11 VAL 278 HG12 VAL 278 -14.594 -15.446 9.431 6 HG13 VAL 278 HG13 VAL 278 -14.137 -14.080 10.444 7 HG23 VAL 278 HG21 VAL 278 -14.257 -12.197 8.087 8 HG22 VAL 278 HG22 VAL 278 -15.093 -11.616 9.526 9 HG21 VAL 278 HG23 VAL 278 -15.955 -11.729 7.993 No H/Q in entry = 9 In of MODEL 2 1 H ARG 279 H ARG 279 -17.254 -12.221 6.741 2 HA ARG 279 HA ARG 279 -19.749 -12.222 7.971 3 HB2 ARG 279 HB2 ARG 279 -18.880 -10.227 6.950 4 HB3 ARG 279 HB3 ARG 279 -18.826 -10.998 5.363 5 HG2 ARG 279 HG2 ARG 279 -21.289 -11.217 5.380 6 HG3 ARG 279 HG3 ARG 279 -21.349 -10.451 6.969 7 HD2 ARG 279 HD2 ARG 279 -20.560 -8.370 6.093 8 HD3 ARG 279 HD3 ARG 279 -20.084 -9.113 4.567 9 HE ARG 279 HE ARG 279 -22.416 -9.301 3.982 10 HH21 ARG 279 HH11 ARG 279 -24.421 -8.358 4.041 11 HH22 ARG 279 HH12 ARG 279 -24.857 -7.269 5.318 12 HH11 ARG 279 HH21 ARG 279 -21.802 -7.540 6.885 13 HH12 ARG 279 HH22 ARG 279 -23.365 -6.808 6.914 No H/Q in entry = 13 In of MODEL 2 1 H ASP 280 H ASP 280 -18.682 -14.192 5.352 2 HA ASP 280 HA ASP 280 -21.331 -14.590 4.270 3 HB2 ASP 280 HB2 ASP 280 -18.719 -15.986 3.656 4 HB3 ASP 280 HB3 ASP 280 -20.188 -16.047 2.689 No H/Q in entry = 4 In of MODEL 2 1 H VAL 281 H VAL 281 -19.434 -15.842 6.796 2 HA VAL 281 HA VAL 281 -20.168 -18.567 6.752 3 HB VAL 281 HB VAL 281 -19.376 -18.673 9.014 4 HG12 VAL 281 HG11 VAL 281 -17.291 -17.050 8.794 5 HG11 VAL 281 HG12 VAL 281 -17.906 -16.841 7.155 6 HG13 VAL 281 HG13 VAL 281 -17.461 -18.446 7.732 7 HG22 VAL 281 HG21 VAL 281 -20.279 -17.020 10.318 8 HG21 VAL 281 HG22 VAL 281 -20.203 -15.817 9.033 9 HG23 VAL 281 HG23 VAL 281 -18.756 -16.209 9.958 No H/Q in entry = 9 In of MODEL 2 1 H GLU 282 H GLU 282 -21.675 -15.657 7.850 2 HA GLU 282 HA GLU 282 -23.631 -16.764 9.518 3 HB2 GLU 282 HB2 GLU 282 -23.629 -14.248 7.829 4 HB3 GLU 282 HB3 GLU 282 -24.893 -14.647 8.994 5 HG2 GLU 282 HG2 GLU 282 -23.244 -14.700 10.807 6 HG3 GLU 282 HG3 GLU 282 -21.945 -14.388 9.663 No H/Q in entry = 6 In of MODEL 2 1 H GLY 283 H GLY 283 -23.947 -15.676 6.096 2 HA3 GLY 283 HA2 GLY 283 -26.412 -16.832 5.452 3 HA2 GLY 283 HA3 GLY 283 -25.101 -16.580 4.316 No H/Q in entry = 3 In of MODEL 2 1 H ALA 284 H ALA 284 -23.225 -18.399 5.585 2 HA ALA 284 HA ALA 284 -24.051 -20.776 4.289 3 HB1 ALA 284 HB1 ALA 284 -21.677 -20.003 4.668 4 HB3 ALA 284 HB2 ALA 284 -21.978 -21.703 5.032 5 HB2 ALA 284 HB3 ALA 284 -21.852 -20.530 6.343 No H/Q in entry = 5 In of MODEL 2 1 H GLU 285 H GLU 285 -23.907 -19.857 7.703 2 HA GLU 285 HA GLU 285 -24.687 -22.428 8.696 3 HB2 GLU 285 HB2 GLU 285 -23.511 -20.892 10.174 4 HB3 GLU 285 HB3 GLU 285 -24.739 -19.651 9.934 5 HG2 GLU 285 HG2 GLU 285 -25.211 -20.692 12.052 6 HG3 GLU 285 HG3 GLU 285 -26.426 -21.278 10.925 No H/Q in entry = 6 In of MODEL 2 1 H ARG 286 H ARG 286 -26.245 -19.423 7.804 2 HA ARG 286 HA ARG 286 -28.837 -19.902 8.710 3 HB2 ARG 286 HB2 ARG 286 -27.740 -18.279 6.421 4 HB3 ARG 286 HB3 ARG 286 -29.464 -18.324 6.782 5 HG2 ARG 286 HG2 ARG 286 -27.481 -17.726 8.970 6 HG3 ARG 286 HG3 ARG 286 -27.989 -16.448 7.866 7 HD2 ARG 286 HD2 ARG 286 -30.373 -17.729 8.584 8 HD3 ARG 286 HD3 ARG 286 -29.447 -17.665 10.078 9 HE ARG 286 HE ARG 286 -30.054 -15.270 8.419 10 HH21 ARG 286 HH11 ARG 286 -30.478 -13.433 9.618 11 HH22 ARG 286 HH12 ARG 286 -30.390 -13.486 11.342 12 HH11 ARG 286 HH21 ARG 286 -29.534 -16.818 11.452 13 HH12 ARG 286 HH22 ARG 286 -29.857 -15.400 12.378 No H/Q in entry = 13 In of MODEL 2 1 H ASN 287 H ASN 287 -27.268 -20.925 5.754 2 HA ASN 287 HA ASN 287 -29.729 -22.033 4.682 3 HB2 ASN 287 HB2 ASN 287 -27.053 -21.433 3.428 4 HB3 ASN 287 HB3 ASN 287 -28.428 -22.125 2.575 5 HD21 ASN 287 HD21 ASN 287 -30.119 -20.284 4.539 6 HD22 ASN 287 HD22 ASN 287 -30.082 -18.796 3.729 No H/Q in entry = 6 In of MODEL 2 1 H GLY 288 H GLY 288 -27.595 -23.227 6.662 2 HA3 GLY 288 HA2 GLY 288 -27.571 -25.410 7.355 3 HA2 GLY 288 HA3 GLY 288 -28.416 -25.840 5.881 No H/Q in entry = 3 In of MODEL 2 1 H ALA 289 H ALA 289 -25.486 -24.150 5.529 2 HA ALA 289 HA ALA 289 -24.106 -26.014 3.983 3 HB2 ALA 289 HB1 ALA 289 -22.851 -23.906 5.771 4 HB1 ALA 289 HB2 ALA 289 -23.641 -23.519 4.242 5 HB3 ALA 289 HB3 ALA 289 -22.210 -24.552 4.257 No H/Q in entry = 5 In of MODEL 2 1 H GLU 290 H GLU 290 -22.704 -27.691 4.491 2 HA GLU 290 HA GLU 290 -22.537 -28.399 7.342 3 HB2 GLU 290 HB2 GLU 290 -23.224 -30.095 5.613 4 HB3 GLU 290 HB3 GLU 290 -21.573 -30.059 5.038 5 HG2 GLU 290 HG2 GLU 290 -20.761 -30.955 7.087 6 HG3 GLU 290 HG3 GLU 290 -22.314 -30.725 7.876 No H/Q in entry = 6 In of MODEL 2 1 H GLY 291 H GLY 291 -20.754 -26.532 5.389 2 HA3 GLY 291 HA2 GLY 291 -18.592 -26.105 6.969 3 HA2 GLY 291 HA3 GLY 291 -18.064 -27.448 5.936 No H/Q in entry = 3 In of MODEL 2 1 H VAL 292 H VAL 292 -16.587 -25.518 5.269 2 HA VAL 292 HA VAL 292 -17.880 -23.978 3.120 3 HB VAL 292 HB VAL 292 -15.522 -23.395 4.875 4 HG13 VAL 292 HG11 VAL 292 -14.605 -23.045 2.725 5 HG12 VAL 292 HG12 VAL 292 -15.032 -21.460 3.373 6 HG11 VAL 292 HG13 VAL 292 -16.062 -22.226 2.164 7 HG21 VAL 292 HG21 VAL 292 -17.977 -22.605 5.284 8 HG23 VAL 292 HG22 VAL 292 -17.638 -21.439 4.004 9 HG22 VAL 292 HG23 VAL 292 -16.663 -21.442 5.474 No H/Q in entry = 9 In of MODEL 2 1 H GLY 293 H GLY 293 -17.369 -24.493 1.109 2 HA3 GLY 293 HA2 GLY 293 -15.416 -26.616 0.732 3 HA2 GLY 293 HA3 GLY 293 -16.685 -26.141 -0.396 No H/Q in entry = 3 In of MODEL 2 1 H LEU 294 H LEU 294 -15.654 -23.245 0.261 2 HA LEU 294 HA LEU 294 -13.064 -23.191 -0.997 3 HB2 LEU 294 HB2 LEU 294 -14.680 -23.531 -2.929 4 HB3 LEU 294 HB3 LEU 294 -15.384 -21.988 -2.508 5 HG LEU 294 HG LEU 294 -12.498 -22.401 -3.325 6 HD11 LEU 294 HD11 LEU 294 -15.007 -21.923 -4.802 7 HD13 LEU 294 HD12 LEU 294 -13.546 -22.788 -5.285 8 HD12 LEU 294 HD13 LEU 294 -13.582 -21.025 -5.323 9 HD22 LEU 294 HD21 LEU 294 -12.512 -20.355 -2.163 10 HD21 LEU 294 HD22 LEU 294 -14.150 -19.961 -2.687 11 HD23 LEU 294 HD23 LEU 294 -12.810 -19.856 -3.828 No H/Q in entry = 11 In of MODEL 2 1 H TYR 295 H TYR 295 -12.146 -21.597 0.016 2 HA TYR 295 HA TYR 295 -13.706 -19.238 0.819 3 HB2 TYR 295 HB2 TYR 295 -12.822 -20.491 2.753 4 HB3 TYR 295 HB3 TYR 295 -11.235 -20.565 2.017 5 HD1 TYR 295 HD1 TYR 295 -13.764 -18.096 3.222 6 HD2 TYR 295 HD2 TYR 295 -9.623 -18.985 2.665 7 HE1 TYR 295 HE1 TYR 295 -13.188 -16.043 4.384 8 HE2 TYR 295 HE2 TYR 295 -9.028 -16.888 3.839 9 HH TYR 295 HH TYR 295 -9.886 -15.037 4.887 No H/Q in entry = 9 In of MODEL 2 1 H ARG 296 H ARG 296 -13.494 -18.228 -1.042 2 HA ARG 296 HA ARG 296 -11.175 -18.044 -2.700 3 HB2 ARG 296 HB2 ARG 296 -13.227 -17.490 -3.776 4 HB3 ARG 296 HB3 ARG 296 -13.745 -16.467 -2.448 5 HG2 ARG 296 HG2 ARG 296 -13.160 -14.872 -4.005 6 HG3 ARG 296 HG3 ARG 296 -11.646 -15.031 -3.131 7 HD2 ARG 296 HD2 ARG 296 -11.498 -14.997 -5.692 8 HD3 ARG 296 HD3 ARG 296 -10.641 -16.296 -4.875 9 HE ARG 296 HE ARG 296 -11.970 -17.762 -6.030 10 HH21 ARG 296 HH11 ARG 296 -13.754 -18.487 -7.264 11 HH22 ARG 296 HH12 ARG 296 -15.077 -17.407 -7.547 12 HH11 ARG 296 HH21 ARG 296 -13.685 -14.728 -5.791 13 HH12 ARG 296 HH22 ARG 296 -15.039 -15.286 -6.717 No H/Q in entry = 13 In of MODEL 2 1 H THR 297 H THR 297 -9.379 -17.393 -1.463 2 HA THR 297 HA THR 297 -9.678 -15.420 0.533 3 HB THR 297 HB THR 297 -7.257 -15.477 0.806 4 HG1 THR 297 HG1 THR 297 -6.162 -16.887 -0.659 5 HG22 THR 297 HG21 THR 297 -7.070 -18.079 0.864 6 HG21 THR 297 HG22 THR 297 -8.770 -18.047 0.393 7 HG23 THR 297 HG23 THR 297 -8.261 -17.301 1.907 No H/Q in entry = 7 In of MODEL 2 1 H GLU 298 H GLU 298 -9.172 -15.025 -2.855 2 HA GLU 298 HA GLU 298 -7.894 -12.552 -3.116 3 HB2 GLU 298 HB2 GLU 298 -8.829 -13.874 -5.038 4 HB3 GLU 298 HB3 GLU 298 -10.434 -13.397 -4.540 5 HG2 GLU 298 HG2 GLU 298 -8.392 -11.341 -5.134 6 HG3 GLU 298 HG3 GLU 298 -9.190 -12.188 -6.447 No H/Q in entry = 6 In of MODEL 2 1 H PHE 299 H PHE 299 -11.184 -13.378 -2.310 2 HA PHE 299 HA PHE 299 -12.283 -10.843 -2.534 3 HB2 PHE 299 HB2 PHE 299 -13.185 -13.395 -2.039 4 HB3 PHE 299 HB3 PHE 299 -13.575 -12.547 -0.553 5 HD1 PHE 299 HD1 PHE 299 -15.182 -13.658 -3.224 6 HD2 PHE 299 HD2 PHE 299 -14.278 -9.852 -1.466 7 HE1 PHE 299 HE1 PHE 299 -17.169 -12.711 -4.327 8 HE2 PHE 299 HE2 PHE 299 -16.276 -8.864 -2.575 9 HZ PHE 299 HZ PHE 299 -17.726 -10.316 -4.027 No H/Q in entry = 9 In of MODEL 2 1 H LEU 300 H LEU 300 -10.717 -12.480 0.148 2 HA LEU 300 HA LEU 300 -11.302 -10.485 2.084 3 HB2 LEU 300 HB2 LEU 300 -10.538 -12.809 2.484 4 HB3 LEU 300 HB3 LEU 300 -8.983 -12.364 1.895 5 HG LEU 300 HG LEU 300 -9.417 -12.824 4.344 6 HD13 LEU 300 HD11 LEU 300 -7.286 -12.208 3.560 7 HD12 LEU 300 HD12 LEU 300 -7.612 -11.266 5.015 8 HD11 LEU 300 HD13 LEU 300 -7.743 -10.509 3.427 9 HD22 LEU 300 HD21 LEU 300 -10.170 -11.171 5.813 10 HD21 LEU 300 HD22 LEU 300 -11.333 -11.122 4.487 11 HD23 LEU 300 HD23 LEU 300 -10.069 -9.897 4.595 No H/Q in entry = 11 In of MODEL 2 1 H PHE 301 H PHE 301 -8.935 -10.860 -0.451 2 HA PHE 301 HA PHE 301 -7.163 -8.792 0.424 3 HB2 PHE 301 HB2 PHE 301 -6.420 -10.608 -1.021 4 HB3 PHE 301 HB3 PHE 301 -7.569 -10.130 -2.254 5 HD1 PHE 301 HD1 PHE 301 -5.765 -7.559 -0.400 6 HD2 PHE 301 HD2 PHE 301 -5.779 -9.971 -3.888 7 HE1 PHE 301 HE1 PHE 301 -4.074 -6.100 -1.388 8 HE2 PHE 301 HE2 PHE 301 -4.070 -8.524 -4.860 9 HZ PHE 301 HZ PHE 301 -3.216 -6.574 -3.611 No H/Q in entry = 9 In of MODEL 2 1 H MET 302 H MET 302 -10.080 -8.936 -1.477 2 HA MET 302 HA MET 302 -9.745 -6.163 -2.446 3 HB2 MET 302 HB2 MET 302 -11.446 -8.482 -3.118 4 HB3 MET 302 HB3 MET 302 -12.295 -6.941 -3.105 5 HG2 MET 302 HG2 MET 302 -9.905 -7.720 -4.754 6 HG3 MET 302 HG3 MET 302 -11.498 -7.276 -5.329 7 HE1 MET 302 HE1 MET 302 -12.419 -5.060 -5.628 8 HE3 MET 302 HE2 MET 302 -11.846 -3.566 -4.889 9 HE2 MET 302 HE3 MET 302 -12.475 -4.859 -3.871 No H/Q in entry = 9 In of MODEL 2 1 H ASP 303 H ASP 303 -10.537 -7.552 0.363 2 HA ASP 303 HA ASP 303 -12.813 -5.832 0.977 3 HB2 ASP 303 HB2 ASP 303 -11.393 -8.002 2.520 4 HB3 ASP 303 HB3 ASP 303 -12.596 -6.952 3.254 No H/Q in entry = 4 In of MODEL 2 1 H ARG 304 H ARG 304 -9.673 -5.343 0.639 2 HA ARG 304 HA ARG 304 -9.351 -3.357 2.760 3 HB2 ARG 304 HB2 ARG 304 -7.639 -4.375 3.784 4 HB3 ARG 304 HB3 ARG 304 -8.289 -5.830 3.039 5 HG2 ARG 304 HG2 ARG 304 -6.054 -4.113 2.040 6 HG3 ARG 304 HG3 ARG 304 -5.935 -5.755 2.619 7 HD2 ARG 304 HD2 ARG 304 -6.819 -6.654 0.733 8 HD3 ARG 304 HD3 ARG 304 -7.818 -5.265 0.385 9 HE ARG 304 HE ARG 304 -4.899 -5.093 0.025 10 HH21 ARG 304 HH11 ARG 304 -4.265 -4.278 -1.958 11 HH22 ARG 304 HH12 ARG 304 -5.439 -3.983 -3.186 12 HH11 ARG 304 HH21 ARG 304 -8.075 -5.018 -1.262 13 HH12 ARG 304 HH22 ARG 304 -7.591 -4.394 -2.793 No H/Q in entry = 13 In of MODEL 2 1 H ASP 305 H ASP 305 -7.493 -1.755 2.330 2 HA ASP 305 HA ASP 305 -7.214 -1.440 -0.614 3 HB2 ASP 305 HB2 ASP 305 -6.628 0.926 -0.074 4 HB3 ASP 305 HB3 ASP 305 -8.261 0.463 0.394 No H/Q in entry = 4 In of MODEL 2 1 H ALA 306 H ALA 306 -5.511 -3.075 1.276 2 HA ALA 306 HA ALA 306 -2.980 -2.408 0.052 3 HB1 ALA 306 HB1 ALA 306 -3.153 -1.239 2.381 4 HB3 ALA 306 HB2 ALA 306 -1.707 -2.183 2.023 5 HB2 ALA 306 HB3 ALA 306 -2.980 -2.869 3.033 No H/Q in entry = 5 In of MODEL 2 1 H LEU 307 H LEU 307 -1.504 -4.242 0.197 2 HA LEU 307 HA LEU 307 -2.823 -6.785 0.050 3 HB2 LEU 307 HB2 LEU 307 -0.969 -6.958 -1.189 4 HB3 LEU 307 HB3 LEU 307 -0.104 -5.766 -0.259 5 HG LEU 307 HG LEU 307 -0.495 -8.576 0.706 6 HD13 LEU 307 HD11 LEU 307 0.481 -8.884 -1.430 7 HD12 LEU 307 HD12 LEU 307 1.809 -9.007 -0.276 8 HD11 LEU 307 HD13 LEU 307 1.589 -7.528 -1.210 9 HD23 LEU 307 HD21 LEU 307 2.012 -7.649 1.461 10 HD22 LEU 307 HD22 LEU 307 0.588 -7.805 2.488 11 HD21 LEU 307 HD23 LEU 307 0.941 -6.269 1.695 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 308 HA PRO 308 -2.761 -7.312 4.402 2 HB2 PRO 308 HB2 PRO 308 -3.916 -9.803 4.579 3 HB3 PRO 308 HB3 PRO 308 -4.824 -8.303 4.331 4 HG2 PRO 308 HG2 PRO 308 -4.200 -10.454 2.450 5 HG3 PRO 308 HG3 PRO 308 -5.521 -9.283 2.437 6 HD2 PRO 308 HD2 PRO 308 -3.145 -9.142 0.815 7 HD3 PRO 308 HD3 PRO 308 -4.363 -7.864 1.029 No H/Q in entry = 7 In of MODEL 2 1 H THR 309 H THR 309 -1.136 -7.850 5.646 2 HA THR 309 HA THR 309 1.102 -9.287 4.729 3 HB THR 309 HB THR 309 1.683 -7.722 6.339 4 HG1 THR 309 HG1 THR 309 2.690 -9.396 7.245 5 HG23 THR 309 HG21 THR 309 -0.366 -6.909 7.023 6 HG22 THR 309 HG22 THR 309 0.273 -7.611 8.508 7 HG21 THR 309 HG23 THR 309 -0.926 -8.491 7.560 No H/Q in entry = 7 In of MODEL 2 1 H GLU 310 H GLU 310 2.120 -10.947 6.325 2 HA GLU 310 HA GLU 310 0.605 -13.285 6.291 3 HB2 GLU 310 HB2 GLU 310 2.209 -14.152 7.929 4 HB3 GLU 310 HB3 GLU 310 2.999 -13.335 6.588 5 HG2 GLU 310 HG2 GLU 310 3.109 -11.307 8.012 6 HG3 GLU 310 HG3 GLU 310 2.515 -12.282 9.345 No H/Q in entry = 6 In of MODEL 2 1 H GLU 311 H GLU 311 1.105 -10.940 8.896 2 HA GLU 311 HA GLU 311 -0.372 -12.313 10.827 3 HB2 GLU 311 HB2 GLU 311 1.235 -10.718 11.505 4 HB3 GLU 311 HB3 GLU 311 0.502 -9.449 10.557 5 HG2 GLU 311 HG2 GLU 311 0.091 -8.999 12.860 6 HG3 GLU 311 HG3 GLU 311 -1.432 -9.475 12.132 No H/Q in entry = 6 In of MODEL 2 1 H GLU 312 H GLU 312 -1.422 -9.766 8.564 2 HA GLU 312 HA GLU 312 -4.007 -9.547 9.749 3 HB2 GLU 312 HB2 GLU 312 -3.062 -7.741 8.386 4 HB3 GLU 312 HB3 GLU 312 -3.161 -8.763 6.957 5 HG2 GLU 312 HG2 GLU 312 -5.097 -7.337 6.916 6 HG3 GLU 312 HG3 GLU 312 -5.654 -8.942 7.347 No H/Q in entry = 6 In of MODEL 2 1 H GLN 313 H GLN 313 -2.620 -11.582 7.283 2 HA GLN 313 HA GLN 313 -5.094 -12.623 6.344 3 HB2 GLN 313 HB2 GLN 313 -2.261 -13.607 6.197 4 HB3 GLN 313 HB3 GLN 313 -3.602 -14.506 5.515 5 HG2 GLN 313 HG2 GLN 313 -4.141 -12.433 4.143 6 HG3 GLN 313 HG3 GLN 313 -2.613 -11.765 4.699 7 HE21 GLN 313 HE21 GLN 313 -1.229 -11.847 3.031 8 HE22 GLN 313 HE22 GLN 313 -0.946 -13.182 2.022 No H/Q in entry = 8 In of MODEL 2 1 H PHE 314 H PHE 314 -2.650 -13.712 8.587 2 HA PHE 314 HA PHE 314 -3.691 -16.140 9.363 3 HB2 PHE 314 HB2 PHE 314 -1.628 -15.643 10.234 4 HB3 PHE 314 HB3 PHE 314 -2.079 -14.000 10.647 5 HD1 PHE 314 HD1 PHE 314 -2.183 -17.537 11.700 6 HD2 PHE 314 HD2 PHE 314 -3.172 -13.482 12.737 7 HE1 PHE 314 HE1 PHE 314 -2.529 -18.255 14.044 8 HE2 PHE 314 HE2 PHE 314 -3.538 -14.177 15.050 9 HZ PHE 314 HZ PHE 314 -3.202 -16.582 15.720 No H/Q in entry = 9 In of MODEL 2 1 H ALA 315 H ALA 315 -4.435 -12.872 10.603 2 HA ALA 315 HA ALA 315 -6.123 -13.719 12.673 3 HB3 ALA 315 HB1 ALA 315 -6.387 -11.039 11.305 4 HB1 ALA 315 HB2 ALA 315 -5.029 -11.407 12.368 5 HB2 ALA 315 HB3 ALA 315 -6.676 -11.436 13.000 No H/Q in entry = 5 In of MODEL 2 1 H ALA 316 H ALA 316 -6.726 -12.639 9.423 2 HA ALA 316 HA ALA 316 -9.517 -12.652 9.421 3 HB2 ALA 316 HB1 ALA 316 -8.376 -11.526 7.701 4 HB3 ALA 316 HB2 ALA 316 -9.189 -12.897 6.943 5 HB1 ALA 316 HB3 ALA 316 -7.457 -12.969 7.272 No H/Q in entry = 5 In of MODEL 2 1 H TYR 317 H TYR 317 -7.124 -15.128 8.524 2 HA TYR 317 HA TYR 317 -9.020 -17.104 7.813 3 HB2 TYR 317 HB2 TYR 317 -6.199 -17.612 8.744 4 HB3 TYR 317 HB3 TYR 317 -7.225 -18.706 7.833 5 HD1 TYR 317 HD1 TYR 317 -4.418 -17.699 6.988 6 HD2 TYR 317 HD2 TYR 317 -8.349 -16.308 6.098 7 HE1 TYR 317 HE1 TYR 317 -3.616 -16.712 4.820 8 HE2 TYR 317 HE2 TYR 317 -7.577 -15.335 3.998 9 HH TYR 317 HH TYR 317 -5.100 -14.445 3.242 No H/Q in entry = 9 In of MODEL 2 1 H LYS 318 H LYS 318 -7.392 -16.373 10.821 2 HA LYS 318 HA LYS 318 -8.225 -18.598 12.349 3 HB2 LYS 318 HB2 LYS 318 -6.491 -17.237 13.250 4 HB3 LYS 318 HB3 LYS 318 -7.453 -15.787 13.115 5 HG2 LYS 318 HG2 LYS 318 -8.499 -17.883 14.993 6 HG3 LYS 318 HG3 LYS 318 -7.013 -17.066 15.477 7 HD2 LYS 318 HD2 LYS 318 -8.142 -14.867 15.160 8 HD3 LYS 318 HD3 LYS 318 -9.619 -15.694 14.709 9 HE2 LYS 318 HE2 LYS 318 -9.958 -15.047 16.975 10 HE3 LYS 318 HE3 LYS 318 -9.563 -16.754 17.066 11 HZ2 LYS 318 HZ1 LYS 318 -8.445 -15.167 18.686 12 HZ1 LYS 318 HZ2 LYS 318 -7.484 -14.682 17.371 13 HZ3 LYS 318 HZ3 LYS 318 -7.461 -16.299 17.894 No H/Q in entry = 13 In of MODEL 2 1 H ALA 319 H ALA 319 -9.597 -15.330 11.969 2 HA ALA 319 HA ALA 319 -11.832 -15.771 13.573 3 HB3 ALA 319 HB1 ALA 319 -12.973 -13.963 12.422 4 HB1 ALA 319 HB2 ALA 319 -11.839 -14.057 11.076 5 HB2 ALA 319 HB3 ALA 319 -11.281 -13.527 12.663 No H/Q in entry = 5 In of MODEL 2 1 H VAL 320 H VAL 320 -11.462 -16.483 10.087 2 HA VAL 320 HA VAL 320 -14.116 -17.313 9.738 3 HB VAL 320 HB VAL 320 -11.629 -18.155 8.200 4 HG13 VAL 320 HG11 VAL 320 -13.392 -19.782 7.796 5 HG12 VAL 320 HG12 VAL 320 -13.174 -18.770 6.369 6 HG11 VAL 320 HG13 VAL 320 -14.539 -18.490 7.448 7 HG22 VAL 320 HG21 VAL 320 -12.207 -16.508 6.619 8 HG21 VAL 320 HG22 VAL 320 -12.244 -15.741 8.208 9 HG23 VAL 320 HG23 VAL 320 -13.751 -16.197 7.411 No H/Q in entry = 9 In of MODEL 2 1 H ALA 321 H ALA 321 -11.153 -19.160 10.363 2 HA ALA 321 HA ALA 321 -12.168 -21.708 10.452 3 HB1 ALA 321 HB1 ALA 321 -10.120 -20.628 12.344 4 HB3 ALA 321 HB2 ALA 321 -9.801 -20.965 10.641 5 HB2 ALA 321 HB3 ALA 321 -10.271 -22.271 11.730 No H/Q in entry = 5 In of MODEL 2 1 H GLU 322 H GLU 322 -12.333 -19.182 12.828 2 HA GLU 322 HA GLU 322 -13.411 -21.014 14.776 3 HB2 GLU 322 HB2 GLU 322 -11.760 -19.415 15.517 4 HB3 GLU 322 HB3 GLU 322 -12.786 -18.079 15.012 5 HG2 GLU 322 HG2 GLU 322 -14.488 -18.755 16.622 6 HG3 GLU 322 HG3 GLU 322 -13.522 -20.139 17.091 No H/Q in entry = 6 In of MODEL 2 1 H ALA 323 H ALA 323 -14.581 -18.422 12.712 2 HA ALA 323 HA ALA 323 -17.200 -18.393 13.870 3 HB1 ALA 323 HB1 ALA 323 -16.447 -17.702 11.060 4 HB2 ALA 323 HB2 ALA 323 -16.280 -16.603 12.431 5 HB3 ALA 323 HB3 ALA 323 -17.875 -17.185 11.953 No H/Q in entry = 5 In of MODEL 2 1 H CYS 324 H CYS 324 -15.501 -20.701 12.103 2 HA CYS 324 HA CYS 324 -17.999 -21.793 11.054 3 HB2 CYS 324 HB2 CYS 324 -15.252 -22.880 10.555 4 HB3 CYS 324 HB3 CYS 324 -16.746 -23.236 9.681 5 HG CYS 324 HG CYS 324 -16.584 -20.411 9.385 No H/Q in entry = 5 In of MODEL 2 1 H GLY 325 H GLY 325 -16.329 -22.029 13.869 2 HA3 GLY 325 HA2 GLY 325 -16.496 -23.498 15.631 3 HA2 GLY 325 HA3 GLY 325 -17.954 -24.081 14.838 No H/Q in entry = 3 In of MODEL 2 1 H SER 326 H SER 326 -17.921 -26.170 14.582 2 HA SER 326 HA SER 326 -15.497 -27.671 14.756 3 HB2 SER 326 HB2 SER 326 -18.379 -28.425 14.261 4 HB3 SER 326 HB3 SER 326 -17.081 -29.619 14.260 5 HG SER 326 HG SER 326 -17.699 -29.559 16.341 No H/Q in entry = 5 In of MODEL 2 1 H GLN 327 H GLN 327 -17.275 -26.251 12.216 2 HA GLN 327 HA GLN 327 -16.909 -28.227 10.250 3 HB2 GLN 327 HB2 GLN 327 -17.664 -25.319 10.082 4 HB3 GLN 327 HB3 GLN 327 -17.650 -26.392 8.685 5 HG2 GLN 327 HG2 GLN 327 -19.259 -27.886 9.771 6 HG3 GLN 327 HG3 GLN 327 -19.233 -26.891 11.225 7 HE21 GLN 327 HE21 GLN 327 -21.309 -25.949 11.223 8 HE22 GLN 327 HE22 GLN 327 -21.953 -25.076 9.920 No H/Q in entry = 8 In of MODEL 2 1 H ALA 328 H ALA 328 -15.777 -28.294 8.373 2 HA ALA 328 HA ALA 328 -13.038 -27.370 8.489 3 HB1 ALA 328 HB1 ALA 328 -14.418 -29.050 6.355 4 HB2 ALA 328 HB2 ALA 328 -13.677 -29.720 7.809 5 HB3 ALA 328 HB3 ALA 328 -12.679 -28.893 6.613 No H/Q in entry = 5 In of MODEL 2 1 H VAL 329 H VAL 329 -12.144 -25.771 7.242 2 HA VAL 329 HA VAL 329 -13.858 -24.656 5.126 3 HB VAL 329 HB VAL 329 -12.864 -22.493 5.432 4 HG12 VAL 329 HG11 VAL 329 -13.429 -22.046 7.797 5 HG11 VAL 329 HG12 VAL 329 -13.680 -23.783 7.991 6 HG13 VAL 329 HG13 VAL 329 -14.682 -22.864 6.867 7 HG23 VAL 329 HG21 VAL 329 -11.228 -23.763 7.606 8 HG22 VAL 329 HG22 VAL 329 -11.203 -22.068 7.117 9 HG21 VAL 329 HG23 VAL 329 -10.625 -23.314 6.012 No H/Q in entry = 9 In of MODEL 2 1 H ILE 330 H ILE 330 -13.092 -24.699 3.072 2 HA ILE 330 HA ILE 330 -10.342 -25.665 2.741 3 HB ILE 330 HB ILE 330 -12.514 -25.585 0.606 4 HG12 ILE 330 HG12 ILE 330 -11.199 -27.977 1.906 5 HG13 ILE 330 HG13 ILE 330 -12.755 -27.352 2.418 6 HG23 ILE 330 HG21 ILE 330 -10.296 -25.323 -0.314 7 HG22 ILE 330 HG22 ILE 330 -10.892 -26.950 -0.644 8 HG21 ILE 330 HG23 ILE 330 -9.715 -26.683 0.643 9 HD12 ILE 330 HD11 ILE 330 -12.413 -29.332 0.536 10 HD11 ILE 330 HD12 ILE 330 -12.577 -27.905 -0.487 11 HD13 ILE 330 HD13 ILE 330 -13.853 -28.319 0.659 No H/Q in entry = 11 In of MODEL 2 1 H VAL 331 H VAL 331 -9.074 -24.022 2.932 2 HA VAL 331 HA VAL 331 -9.760 -21.372 2.012 3 HB VAL 331 HB VAL 331 -7.331 -22.559 3.379 4 HG12 VAL 331 HG11 VAL 331 -6.995 -19.917 3.600 5 HG11 VAL 331 HG12 VAL 331 -7.713 -20.018 1.991 6 HG13 VAL 331 HG13 VAL 331 -6.238 -20.913 2.359 7 HG23 VAL 331 HG21 VAL 331 -9.312 -20.470 4.342 8 HG22 VAL 331 HG22 VAL 331 -7.984 -21.165 5.272 9 HG21 VAL 331 HG23 VAL 331 -9.351 -22.175 4.799 No H/Q in entry = 9 In of MODEL 2 1 H ARG 332 H ARG 332 -9.461 -20.913 -0.137 2 HA ARG 332 HA ARG 332 -7.395 -22.454 -1.557 3 HB2 ARG 332 HB2 ARG 332 -8.315 -21.682 -3.594 4 HB3 ARG 332 HB3 ARG 332 -9.693 -22.063 -2.585 5 HG2 ARG 332 HG2 ARG 332 -10.368 -19.899 -2.465 6 HG3 ARG 332 HG3 ARG 332 -8.727 -19.268 -2.506 7 HD2 ARG 332 HD2 ARG 332 -9.987 -18.685 -4.538 8 HD3 ARG 332 HD3 ARG 332 -8.596 -19.703 -4.903 9 HE ARG 332 HE ARG 332 -10.637 -21.473 -4.579 10 HH21 ARG 332 HH11 ARG 332 -11.976 -22.280 -6.193 11 HH22 ARG 332 HH12 ARG 332 -12.254 -21.348 -7.627 12 HH11 ARG 332 HH21 ARG 332 -10.192 -18.675 -6.623 13 HH12 ARG 332 HH22 ARG 332 -11.228 -19.277 -7.874 No H/Q in entry = 13 In of MODEL 2 1 H THR 333 H THR 333 -5.516 -21.605 -2.136 2 HA THR 333 HA THR 333 -4.751 -19.044 -1.070 3 HB THR 333 HB THR 333 -2.632 -19.424 -1.932 4 HG1 THR 333 HG1 THR 333 -2.599 -19.952 -3.958 5 HG21 THR 333 HG21 THR 333 -3.332 -21.115 -0.233 6 HG23 THR 333 HG22 THR 333 -2.132 -21.754 -1.356 7 HG22 THR 333 HG23 THR 333 -3.831 -22.188 -1.542 No H/Q in entry = 7 In of MODEL 2 1 H MET 334 H MET 334 -3.971 -17.409 -2.435 2 HA MET 334 HA MET 334 -6.173 -16.263 -3.429 3 HB2 MET 334 HB2 MET 334 -4.639 -14.380 -3.914 4 HB3 MET 334 HB3 MET 334 -4.592 -15.045 -2.303 5 HG2 MET 334 HG2 MET 334 -2.615 -15.918 -4.337 6 HG3 MET 334 HG3 MET 334 -2.425 -14.377 -3.480 7 HE3 MET 334 HE1 MET 334 -0.672 -18.197 -2.169 8 HE2 MET 334 HE2 MET 334 -0.406 -16.948 -3.382 9 HE1 MET 334 HE3 MET 334 -1.768 -18.052 -3.553 No H/Q in entry = 9 In of MODEL 2 1 H ASP 335 H ASP 335 -7.064 -15.675 -5.280 2 HA ASP 335 HA ASP 335 -5.677 -16.416 -7.758 3 HB2 ASP 335 HB2 ASP 335 -7.375 -18.103 -7.265 4 HB3 ASP 335 HB3 ASP 335 -8.602 -16.850 -7.173 No H/Q in entry = 4 In of MODEL 2 1 H ILE 336 H ILE 336 -5.035 -14.298 -7.875 2 HA ILE 336 HA ILE 336 -7.097 -12.387 -8.639 3 HB ILE 336 HB ILE 336 -4.238 -11.590 -8.260 4 HG12 ILE 336 HG12 ILE 336 -4.915 -11.339 -5.770 5 HG13 ILE 336 HG13 ILE 336 -6.105 -12.574 -6.136 6 HG22 ILE 336 HG21 ILE 336 -6.829 -10.328 -7.373 7 HG21 ILE 336 HG22 ILE 336 -5.937 -9.904 -8.833 8 HG23 ILE 336 HG23 ILE 336 -5.221 -9.614 -7.248 9 HD12 ILE 336 HD11 ILE 336 -3.554 -12.992 -5.333 10 HD11 ILE 336 HD12 ILE 336 -3.449 -13.204 -7.082 11 HD13 ILE 336 HD13 ILE 336 -4.589 -14.168 -6.140 No H/Q in entry = 11 In of MODEL 2 1 H GLY 337 H GLY 337 -7.049 -11.475 -10.697 2 HA3 GLY 337 HA2 GLY 337 -5.636 -10.784 -12.444 3 HA2 GLY 337 HA3 GLY 337 -4.844 -12.327 -12.384 No H/Q in entry = 3 In of MODEL 2 1 H GLY 338 H GLY 338 -8.272 -12.596 -12.575 2 HA3 GLY 338 HA2 GLY 338 -7.963 -12.754 -15.546 3 HA2 GLY 338 HA3 GLY 338 -9.199 -13.678 -14.645 No H/Q in entry = 3 In of MODEL 2 1 H ASP 339 H ASP 339 -11.113 -12.713 -14.356 2 HA ASP 339 HA ASP 339 -11.365 -9.859 -14.794 3 HB2 ASP 339 HB2 ASP 339 -13.134 -11.476 -15.428 4 HB3 ASP 339 HB3 ASP 339 -13.403 -11.786 -13.719 No H/Q in entry = 4 In of MODEL 2 1 H LYS 340 H LYS 340 -10.036 -11.529 -12.240 2 HA LYS 340 HA LYS 340 -11.024 -9.380 -10.557 3 HB2 LYS 340 HB2 LYS 340 -10.448 -12.053 -9.414 4 HB3 LYS 340 HB3 LYS 340 -10.682 -10.605 -8.475 5 HG2 LYS 340 HG2 LYS 340 -12.929 -10.435 -9.371 6 HG3 LYS 340 HG3 LYS 340 -12.661 -11.948 -10.248 7 HD2 LYS 340 HD2 LYS 340 -12.030 -13.007 -8.119 8 HD3 LYS 340 HD3 LYS 340 -12.467 -11.520 -7.290 9 HE2 LYS 340 HE2 LYS 340 -14.288 -13.301 -8.890 10 HE3 LYS 340 HE3 LYS 340 -14.254 -13.146 -7.153 11 HZ1 LYS 340 HZ1 LYS 340 -14.719 -10.640 -8.168 12 HZ3 LYS 340 HZ2 LYS 340 -15.801 -11.665 -7.355 13 HZ2 LYS 340 HZ3 LYS 340 -15.700 -11.704 -9.050 No H/Q in entry = 13 In of MODEL 2 1 H GLU 341 H GLU 341 -9.636 -7.968 -11.102 2 HA GLU 341 HA GLU 341 -6.898 -8.404 -10.293 3 HB2 GLU 341 HB2 GLU 341 -6.644 -6.037 -11.113 4 HB3 GLU 341 HB3 GLU 341 -7.188 -7.190 -12.336 5 HG2 GLU 341 HG2 GLU 341 -9.207 -5.649 -10.700 6 HG3 GLU 341 HG3 GLU 341 -8.455 -4.889 -12.088 No H/Q in entry = 6 In of MODEL 2 1 H LEU 342 H LEU 342 -5.967 -7.181 -8.588 2 HA LEU 342 HA LEU 342 -7.903 -5.585 -7.159 3 HB2 LEU 342 HB2 LEU 342 -5.822 -7.197 -5.767 4 HB3 LEU 342 HB3 LEU 342 -6.278 -5.642 -5.114 5 HG LEU 342 HG LEU 342 -8.685 -6.579 -5.319 6 HD11 LEU 342 HD11 LEU 342 -6.943 -8.983 -5.597 7 HD13 LEU 342 HD12 LEU 342 -8.388 -8.532 -6.504 8 HD12 LEU 342 HD13 LEU 342 -8.530 -9.101 -4.839 9 HD23 LEU 342 HD21 LEU 342 -8.020 -8.004 -3.138 10 HD22 LEU 342 HD22 LEU 342 -8.239 -6.254 -3.169 11 HD21 LEU 342 HD23 LEU 342 -6.620 -6.944 -3.294 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 343 HA PRO 343 -5.979 -2.353 -9.304 2 HB2 PRO 343 HB2 PRO 343 -7.388 -1.039 -6.979 3 HB3 PRO 343 HB3 PRO 343 -7.381 -0.567 -8.695 4 HG2 PRO 343 HG2 PRO 343 -9.482 -1.865 -7.757 5 HG3 PRO 343 HG3 PRO 343 -8.795 -2.361 -9.319 6 HD2 PRO 343 HD2 PRO 343 -8.505 -3.656 -6.635 7 HD3 PRO 343 HD3 PRO 343 -8.679 -4.389 -8.246 No H/Q in entry = 7 In of MODEL 2 1 H TYR 344 H TYR 344 -5.845 -2.477 -5.684 2 HA TYR 344 HA TYR 344 -3.704 -0.694 -5.519 3 HB2 TYR 344 HB2 TYR 344 -5.094 -1.458 -3.592 4 HB3 TYR 344 HB3 TYR 344 -4.083 -2.872 -3.511 5 HD1 TYR 344 HD1 TYR 344 -4.306 0.743 -2.786 6 HD2 TYR 344 HD2 TYR 344 -1.796 -2.725 -2.637 7 HE1 TYR 344 HE1 TYR 344 -2.834 1.890 -1.174 8 HE2 TYR 344 HE2 TYR 344 -0.299 -1.577 -1.061 9 HH TYR 344 HH TYR 344 -0.345 1.712 -0.464 No H/Q in entry = 9 In of MODEL 2 1 HA MET 345 HA MET 345 -0.692 -4.118 -6.121 2 HB2 MET 345 HB2 MET 345 -2.569 -5.941 -6.786 3 HG2 MET 345 HG2 MET 345 -0.863 -7.556 -7.141 4 HE2 MET 345 HE1 MET 345 2.558 -6.642 -4.747 5 HE1 MET 345 HE2 MET 345 2.079 -7.897 -5.882 6 HE3 MET 345 HE3 MET 345 1.970 -8.209 -4.153 7 H MET 345 HN MET 345 -3.491 -3.780 -6.847 8 HB3 MET 345 HB1 MET 345 -1.769 -5.735 -8.328 9 HG3 MET 345 HG1 MET 345 0.320 -6.297 -7.348 No H/Q in entry = 9 In of MODEL 2 1 H ASN 346 H ASN 346 -2.508 -2.586 -8.562 2 HA ASN 346 HA ASN 346 -1.957 -1.578 -10.518 3 HB2 ASN 346 HB2 ASN 346 0.606 -1.238 -8.990 4 HB3 ASN 346 HB3 ASN 346 0.299 -0.468 -10.539 5 HD21 ASN 346 HD21 ASN 346 0.449 0.365 -7.412 6 HD22 ASN 346 HD22 ASN 346 -0.833 1.470 -7.279 No H/Q in entry = 6 In of MODEL 2 1 H PHE 347 H PHE 347 -1.509 -4.497 -10.488 2 HA PHE 347 HA PHE 347 0.818 -5.147 -11.895 3 HB2 PHE 347 HB2 PHE 347 -1.311 -6.724 -12.911 4 HB3 PHE 347 HB3 PHE 347 -0.088 -7.174 -11.732 5 HD1 PHE 347 HD1 PHE 347 -2.991 -4.809 -11.539 6 HD2 PHE 347 HD2 PHE 347 -1.128 -8.317 -9.975 7 HE1 PHE 347 HE1 PHE 347 -4.705 -4.954 -9.777 8 HE2 PHE 347 HE2 PHE 347 -2.849 -8.445 -8.225 9 HZ PHE 347 HZ PHE 347 -4.643 -6.765 -8.124 No H/Q in entry = 9 In of MODEL 2 1 HA PRO 348 HA PRO 348 0.063 -3.245 -15.754 2 HB2 PRO 348 HB2 PRO 348 1.379 -4.872 -17.485 3 HB3 PRO 348 HB3 PRO 348 2.212 -3.771 -16.370 4 HG2 PRO 348 HG2 PRO 348 1.781 -6.723 -16.139 5 HG3 PRO 348 HG3 PRO 348 3.204 -5.761 -15.719 6 HD2 PRO 348 HD2 PRO 348 1.361 -6.625 -13.839 7 HD3 PRO 348 HD3 PRO 348 2.348 -5.159 -13.638 No H/Q in entry = 7 In of MODEL 2 1 H LYS 349 H LYS 349 -1.098 -3.478 -17.761 2 HA LYS 349 HA LYS 349 -3.302 -5.266 -17.640 3 HB2 LYS 349 HB2 LYS 349 -2.378 -3.384 -19.801 4 HB3 LYS 349 HB3 LYS 349 -3.859 -4.324 -19.893 5 HG2 LYS 349 HG2 LYS 349 -4.676 -3.210 -17.826 6 HG3 LYS 349 HG3 LYS 349 -3.199 -2.262 -17.761 7 HD2 LYS 349 HD2 LYS 349 -3.804 -1.161 -19.941 8 HD3 LYS 349 HD3 LYS 349 -5.268 -2.126 -20.029 9 HE2 LYS 349 HE2 LYS 349 -4.725 -0.194 -17.746 10 HE3 LYS 349 HE3 LYS 349 -5.528 0.308 -19.223 11 HZ3 LYS 349 HZ1 LYS 349 -7.446 -0.405 -18.348 12 HZ2 LYS 349 HZ2 LYS 349 -6.649 -0.953 -16.953 13 HZ1 LYS 349 HZ3 LYS 349 -6.846 -1.991 -18.282 No H/Q in entry = 13 In of MODEL 2 1 H GLU 350 H GLU 350 -3.924 -6.798 -19.110 2 HA GLU 350 HA GLU 350 -1.819 -8.066 -20.742 3 HB2 GLU 350 HB2 GLU 350 -3.118 -10.236 -20.165 4 HB3 GLU 350 HB3 GLU 350 -1.912 -9.611 -19.050 5 HG2 GLU 350 HG2 GLU 350 -4.885 -9.291 -18.888 6 HG3 GLU 350 HG3 GLU 350 -3.860 -10.261 -17.842 No H/Q in entry = 6 In of MODEL 2 1 H GLU 351 H GLU 351 -2.481 -9.075 -22.583 2 HA GLU 351 HA GLU 351 -4.728 -7.954 -23.831 3 HB2 GLU 351 HB2 GLU 351 -2.835 -10.143 -24.665 4 HB3 GLU 351 HB3 GLU 351 -4.116 -9.528 -25.697 5 HG2 GLU 351 HG2 GLU 351 -3.124 -7.273 -25.595 6 HG3 GLU 351 HG3 GLU 351 -1.856 -7.870 -24.532 No H/Q in entry = 6 In of MODEL 2 1 H ASN 352 H ASN 352 -4.222 -11.058 -22.220 2 HA ASN 352 HA ASN 352 -7.141 -11.387 -22.264 3 HB2 ASN 352 HB2 ASN 352 -5.337 -13.771 -22.774 4 HB3 ASN 352 HB3 ASN 352 -7.084 -13.795 -22.625 5 HD21 ASN 352 HD21 ASN 352 -8.350 -13.091 -24.329 6 HD22 ASN 352 HD22 ASN 352 -7.721 -12.837 -25.885 No H/Q in entry = 6 In of MODEL 2 1 HA PRO 353 HA PRO 353 -5.272 -11.450 -18.202 2 HB2 PRO 353 HB2 PRO 353 -7.831 -11.171 -16.943 3 HB3 PRO 353 HB3 PRO 353 -6.570 -9.939 -17.111 4 HG2 PRO 353 HG2 PRO 353 -9.026 -10.313 -18.610 5 HG3 PRO 353 HG3 PRO 353 -8.001 -8.882 -18.447 6 HD2 PRO 353 HD2 PRO 353 -8.215 -10.406 -20.739 7 HD3 PRO 353 HD3 PRO 353 -6.816 -9.375 -20.364 No H/Q in entry = 7 In of MODEL 2 1 H PHE 354 H PHE 354 -8.272 -13.101 -19.206 2 HA PHE 354 HA PHE 354 -8.132 -15.012 -17.136 3 HB2 PHE 354 HB2 PHE 354 -9.778 -14.665 -19.526 4 HB3 PHE 354 HB3 PHE 354 -9.618 -16.317 -18.959 5 HD1 PHE 354 HD1 PHE 354 -11.620 -13.549 -18.792 6 HD2 PHE 354 HD2 PHE 354 -9.741 -16.420 -16.211 7 HE1 PHE 354 HE1 PHE 354 -13.347 -13.131 -17.044 8 HE2 PHE 354 HE2 PHE 354 -11.458 -16.002 -14.467 9 HZ PHE 354 HZ PHE 354 -13.284 -14.333 -14.913 No H/Q in entry = 9 In of MODEL 2 1 H LEU 355 H LEU 355 -6.395 -14.897 -20.020 2 HA LEU 355 HA LEU 355 -5.405 -17.648 -19.614 3 HB2 LEU 355 HB2 LEU 355 -5.273 -15.817 -21.985 4 HB3 LEU 355 HB3 LEU 355 -4.361 -17.299 -21.849 5 HG LEU 355 HG LEU 355 -6.685 -17.091 -23.123 6 HD11 LEU 355 HD11 LEU 355 -5.605 -19.436 -21.542 7 HD13 LEU 355 HD12 LEU 355 -5.177 -18.976 -23.192 8 HD12 LEU 355 HD13 LEU 355 -6.798 -19.573 -22.834 9 HD23 LEU 355 HD21 LEU 355 -7.413 -17.901 -20.265 10 HD22 LEU 355 HD22 LEU 355 -8.515 -17.910 -21.642 11 HD21 LEU 355 HD23 LEU 355 -7.870 -16.384 -21.040 No H/Q in entry = 11 In of MODEL 2 1 H GLY 356 H GLY 356 -4.732 -15.132 -18.105 2 HA3 GLY 356 HA2 GLY 356 -1.962 -14.733 -19.038 3 HA2 GLY 356 HA3 GLY 356 -2.931 -13.516 -18.226 No H/Q in entry = 3 In of MODEL 2 1 H TRP 357 H TRP 357 -1.578 -13.082 -16.689 2 HA TRP 357 HA TRP 357 -0.136 -15.060 -15.202 3 HB2 TRP 357 HB2 TRP 357 0.707 -12.872 -14.145 4 HB3 TRP 357 HB3 TRP 357 1.126 -13.231 -15.801 5 HD1 TRP 357 HD1 TRP 357 -1.491 -11.020 -13.899 6 HE1 TRP 357 HE1 TRP 357 -1.794 -8.837 -15.239 7 HE3 TRP 357 HE3 TRP 357 1.447 -12.106 -17.932 8 HZ2 TRP 357 HZ2 TRP 357 -0.906 -7.715 -17.664 9 HZ3 TRP 357 HZ3 TRP 357 1.666 -10.431 -19.717 10 HH2 TRP 357 HH2 TRP 357 0.503 -8.278 -19.590 No H/Q in entry = 10 In of MODEL 2 1 H ARG 358 H ARG 358 -1.965 -15.978 -14.297 2 HA ARG 358 HA ARG 358 -3.496 -14.400 -12.379 3 HB2 ARG 358 HB2 ARG 358 -4.558 -16.918 -13.407 4 HB3 ARG 358 HB3 ARG 358 -5.315 -15.350 -13.261 5 HG2 ARG 358 HG2 ARG 358 -3.305 -15.942 -15.371 6 HG3 ARG 358 HG3 ARG 358 -5.012 -16.336 -15.559 7 HD2 ARG 358 HD2 ARG 358 -4.126 -13.981 -16.385 8 HD3 ARG 358 HD3 ARG 358 -5.681 -14.083 -15.558 9 HE ARG 358 HE ARG 358 -4.051 -13.687 -13.503 10 HH21 ARG 358 HH11 ARG 358 -3.256 -11.762 -12.671 11 HH22 ARG 358 HH12 ARG 358 -3.026 -10.410 -13.730 12 HH11 ARG 358 HH21 ARG 358 -4.161 -12.092 -16.563 13 HH12 ARG 358 HH22 ARG 358 -3.540 -10.600 -15.938 No H/Q in entry = 13 In of MODEL 2 1 H ALA 359 H ALA 359 -3.875 -15.082 -10.345 2 HA ALA 359 HA ALA 359 -3.836 -16.285 -8.395 3 HB2 ALA 359 HB1 ALA 359 -5.337 -17.709 -9.835 4 HB3 ALA 359 HB2 ALA 359 -4.453 -18.653 -8.637 5 HB1 ALA 359 HB3 ALA 359 -3.925 -18.651 -10.319 No H/Q in entry = 5 In of MODEL 2 1 H ILE 360 H ILE 360 -2.594 -19.128 -9.417 2 HA ILE 360 HA ILE 360 -0.440 -18.999 -7.646 3 HB ILE 360 HB ILE 360 -1.378 -20.891 -9.700 4 HG12 ILE 360 HG12 ILE 360 -1.576 -20.802 -6.753 5 HG13 ILE 360 HG13 ILE 360 -2.819 -20.422 -7.945 6 HG22 ILE 360 HG21 ILE 360 0.876 -21.518 -7.866 7 HG21 ILE 360 HG22 ILE 360 0.916 -21.391 -9.626 8 HG23 ILE 360 HG23 ILE 360 -0.018 -22.673 -8.854 9 HD12 ILE 360 HD11 ILE 360 -3.077 -22.705 -7.069 10 HD11 ILE 360 HD12 ILE 360 -1.455 -23.096 -7.641 11 HD13 ILE 360 HD13 ILE 360 -2.729 -22.705 -8.798 No H/Q in entry = 11 In of MODEL 2 1 H ARG 361 H ARG 361 -0.599 -18.176 -10.928 2 HA ARG 361 HA ARG 361 2.105 -18.621 -11.583 3 HB2 ARG 361 HB2 ARG 361 -0.088 -16.951 -12.772 4 HB3 ARG 361 HB3 ARG 361 1.531 -17.056 -13.471 5 HG2 ARG 361 HG2 ARG 361 1.346 -19.418 -13.715 6 HG3 ARG 361 HG3 ARG 361 -0.163 -19.444 -12.815 7 HD2 ARG 361 HD2 ARG 361 -1.247 -18.195 -14.567 8 HD3 ARG 361 HD3 ARG 361 0.273 -18.101 -15.457 9 HE ARG 361 HE ARG 361 -0.220 -20.809 -14.929 10 HH21 ARG 361 HH11 ARG 361 -1.216 -22.166 -16.527 11 HH22 ARG 361 HH12 ARG 361 -2.119 -21.426 -17.807 12 HH11 ARG 361 HH21 ARG 361 -1.602 -18.124 -16.641 13 HH12 ARG 361 HH22 ARG 361 -2.344 -19.088 -17.874 No H/Q in entry = 13 In of MODEL 2 1 H ILE 362 H ILE 362 0.354 -16.178 -9.919 2 HA ILE 362 HA ILE 362 2.467 -14.174 -10.055 3 HB ILE 362 HB ILE 362 -0.079 -13.774 -9.748 4 HG12 ILE 362 HG12 ILE 362 0.390 -11.758 -8.334 5 HG13 ILE 362 HG13 ILE 362 2.030 -12.347 -8.148 6 HG22 ILE 362 HG21 ILE 362 0.658 -14.033 -6.859 7 HG21 ILE 362 HG22 ILE 362 -0.088 -15.349 -7.770 8 HG23 ILE 362 HG23 ILE 362 -0.935 -13.812 -7.583 9 HD11 ILE 362 HD11 ILE 362 1.379 -12.292 -10.972 10 HD13 ILE 362 HD12 ILE 362 2.626 -11.382 -10.119 11 HD12 ILE 362 HD13 ILE 362 0.996 -10.725 -10.259 No H/Q in entry = 11 In of MODEL 2 1 H ALA 363 H ALA 363 0.964 -16.236 -7.563 2 HA ALA 363 HA ALA 363 2.648 -15.353 -5.542 3 HB3 ALA 363 HB1 ALA 363 1.537 -16.778 -4.225 4 HB1 ALA 363 HB2 ALA 363 1.657 -18.111 -5.375 5 HB2 ALA 363 HB3 ALA 363 0.455 -16.843 -5.614 No H/Q in entry = 5 In of MODEL 2 1 HA MET 364 HA MET 364 5.631 -18.677 -6.856 2 HB2 MET 364 HB2 MET 364 4.358 -20.254 -8.188 3 HG2 MET 364 HG2 MET 364 6.068 -21.094 -9.678 4 HE3 MET 364 HE1 MET 364 9.304 -22.553 -7.776 5 HE2 MET 364 HE2 MET 364 9.184 -21.555 -9.221 6 HE1 MET 364 HE3 MET 364 8.049 -22.880 -8.988 7 H MET 364 HN MET 364 3.178 -17.692 -8.063 8 HB3 MET 364 HB1 MET 364 4.500 -19.221 -9.599 9 HG3 MET 364 HG1 MET 364 6.901 -19.552 -9.640 No H/Q in entry = 9 In of MODEL 2 1 H ASP 365 H ASP 365 4.792 -15.988 -8.828 2 HA ASP 365 HA ASP 365 7.638 -15.797 -9.543 3 HB2 ASP 365 HB2 ASP 365 7.114 -13.997 -11.037 4 HB3 ASP 365 HB3 ASP 365 6.052 -15.355 -11.378 No H/Q in entry = 4 In of MODEL 2 1 H ARG 366 H ARG 366 5.672 -15.026 -7.054 2 HA ARG 366 HA ARG 366 7.619 -13.038 -6.144 3 HB2 ARG 366 HB2 ARG 366 5.453 -11.964 -7.164 4 HB3 ARG 366 HB3 ARG 366 4.694 -12.550 -5.697 5 HG2 ARG 366 HG2 ARG 366 5.248 -10.477 -5.023 6 HG3 ARG 366 HG3 ARG 366 6.766 -11.295 -4.622 7 HD2 ARG 366 HD2 ARG 366 7.273 -9.373 -5.879 8 HD3 ARG 366 HD3 ARG 366 7.552 -10.795 -6.880 9 HE ARG 366 HE ARG 366 4.926 -9.676 -7.170 10 HH21 ARG 366 HH11 ARG 366 4.406 -8.729 -9.161 11 HH22 ARG 366 HH12 ARG 366 5.666 -8.358 -10.289 12 HH11 ARG 366 HH21 ARG 366 8.254 -9.557 -8.224 13 HH12 ARG 366 HH22 ARG 366 7.878 -8.834 -9.752 No H/Q in entry = 13 In of MODEL 2 1 H ARG 367 H ARG 367 8.202 -14.931 -4.941 2 HA ARG 367 HA ARG 367 6.545 -16.524 -3.516 3 HB2 ARG 367 HB2 ARG 367 8.511 -17.023 -2.079 4 HB3 ARG 367 HB3 ARG 367 8.751 -17.179 -3.815 5 HG2 ARG 367 HG2 ARG 367 9.383 -14.498 -3.059 6 HG3 ARG 367 HG3 ARG 367 10.231 -15.603 -1.976 7 HD2 ARG 367 HD2 ARG 367 11.062 -16.858 -3.934 8 HD3 ARG 367 HD3 ARG 367 10.246 -15.728 -4.999 9 HE ARG 367 HE ARG 367 11.994 -14.324 -3.286 10 HH21 ARG 367 HH11 ARG 367 13.977 -13.540 -4.032 11 HH22 ARG 367 HH12 ARG 367 14.677 -14.211 -5.467 12 HH11 ARG 367 HH21 ARG 367 12.105 -16.503 -6.019 13 HH12 ARG 367 HH22 ARG 367 13.618 -15.887 -6.594 No H/Q in entry = 13 In of MODEL 2 1 H GLU 368 H GLU 368 7.801 -13.403 -2.290 2 HA GLU 368 HA GLU 368 7.110 -13.673 0.360 3 HB2 GLU 368 HB2 GLU 368 6.341 -11.192 0.180 4 HB3 GLU 368 HB3 GLU 368 8.022 -11.614 -0.044 5 HG2 GLU 368 HG2 GLU 368 7.788 -11.408 -2.467 6 HG3 GLU 368 HG3 GLU 368 6.064 -11.144 -2.314 No H/Q in entry = 6 In of MODEL 2 1 H ILE 369 H ILE 369 4.881 -13.400 -2.367 2 HA ILE 369 HA ILE 369 2.539 -12.834 -0.809 3 HB ILE 369 HB ILE 369 2.681 -13.878 -3.665 4 HG12 ILE 369 HG12 ILE 369 3.990 -11.760 -3.144 5 HG13 ILE 369 HG13 ILE 369 2.822 -11.689 -4.451 6 HG22 ILE 369 HG21 ILE 369 0.534 -12.601 -3.879 7 HG21 ILE 369 HG22 ILE 369 0.535 -12.455 -2.121 8 HG23 ILE 369 HG23 ILE 369 0.456 -14.048 -2.876 9 HD12 ILE 369 HD11 ILE 369 2.985 -9.798 -2.586 10 HD11 ILE 369 HD12 ILE 369 1.893 -10.894 -1.738 11 HD13 ILE 369 HD13 ILE 369 1.446 -10.249 -3.319 No H/Q in entry = 11 In of MODEL 2 1 H LEU 370 H LEU 370 3.573 -15.679 -2.646 2 HA LEU 370 HA LEU 370 1.710 -17.504 -1.737 3 HB2 LEU 370 HB2 LEU 370 3.165 -17.947 -3.579 4 HB3 LEU 370 HB3 LEU 370 4.583 -17.768 -2.563 5 HG LEU 370 HG LEU 370 3.953 -19.732 -1.302 6 HD13 LEU 370 HD11 LEU 370 1.623 -19.713 -1.303 7 HD12 LEU 370 HD12 LEU 370 2.041 -21.139 -2.254 8 HD11 LEU 370 HD13 LEU 370 1.526 -19.659 -3.063 9 HD23 LEU 370 HD21 LEU 370 3.963 -20.202 -4.275 10 HD22 LEU 370 HD22 LEU 370 4.362 -21.394 -3.037 11 HD21 LEU 370 HD23 LEU 370 5.381 -19.970 -3.251 No H/Q in entry = 11 In of MODEL 2 1 H ARG 371 H ARG 371 4.869 -16.531 -0.329 2 HA ARG 371 HA ARG 371 4.845 -18.512 1.652 3 HB2 ARG 371 HB2 ARG 371 6.328 -16.141 2.387 4 HB3 ARG 371 HB3 ARG 371 6.872 -17.790 2.126 5 HG2 ARG 371 HG2 ARG 371 6.836 -17.406 -0.302 6 HG3 ARG 371 HG3 ARG 371 6.316 -15.747 -0.023 7 HD2 ARG 371 HD2 ARG 371 8.647 -15.620 -0.352 8 HD3 ARG 371 HD3 ARG 371 8.416 -15.479 1.386 9 HE ARG 371 HE ARG 371 8.786 -18.180 0.820 10 HH21 ARG 371 HH11 ARG 371 10.725 -19.224 1.053 11 HH22 ARG 371 HH12 ARG 371 12.210 -18.334 1.051 12 HH11 ARG 371 HH21 ARG 371 10.717 -15.219 0.591 13 HH12 ARG 371 HH22 ARG 371 12.212 -16.070 0.792 No H/Q in entry = 13 In of MODEL 2 1 H ASP 372 H ASP 372 4.101 -15.045 1.974 2 HA ASP 372 HA ASP 372 3.473 -14.882 4.672 3 HB2 ASP 372 HB2 ASP 372 3.289 -12.816 3.582 4 HB3 ASP 372 HB3 ASP 372 2.447 -13.508 2.207 No H/Q in entry = 4 In of MODEL 2 1 H GLN 373 H GLN 373 1.449 -15.614 1.835 2 HA GLN 373 HA GLN 373 -0.842 -15.993 3.391 3 HB2 GLN 373 HB2 GLN 373 -1.206 -15.544 1.095 4 HB3 GLN 373 HB3 GLN 373 -0.298 -16.968 0.602 5 HG2 GLN 373 HG2 GLN 373 -2.247 -18.096 0.561 6 HG3 GLN 373 HG3 GLN 373 -2.278 -17.973 2.310 7 HE21 GLN 373 HE21 GLN 373 -4.600 -18.093 2.042 8 HE22 GLN 373 HE22 GLN 373 -5.484 -16.691 1.679 No H/Q in entry = 8 In of MODEL 2 1 H LEU 374 H LEU 374 1.206 -18.577 1.943 2 HA LEU 374 HA LEU 374 -0.322 -20.624 3.086 3 HB2 LEU 374 HB2 LEU 374 2.365 -20.422 1.935 4 HB3 LEU 374 HB3 LEU 374 2.067 -21.797 2.993 5 HG LEU 374 HG LEU 374 1.613 -22.154 0.546 6 HD12 LEU 374 HD11 LEU 374 -0.869 -22.655 2.177 7 HD11 LEU 374 HD12 LEU 374 0.662 -23.381 2.660 8 HD13 LEU 374 HD13 LEU 374 -0.020 -23.738 1.074 9 HD21 LEU 374 HD21 LEU 374 0.331 -19.762 0.543 10 HD23 LEU 374 HD22 LEU 374 -1.057 -20.810 0.843 11 HD22 LEU 374 HD23 LEU 374 -0.074 -21.042 -0.604 No H/Q in entry = 11 In of MODEL 2 1 H ARG 375 H ARG 375 2.548 -19.017 4.353 2 HA ARG 375 HA ARG 375 2.850 -20.177 6.845 3 HB2 ARG 375 HB2 ARG 375 4.372 -18.483 6.202 4 HB3 ARG 375 HB3 ARG 375 3.091 -17.320 5.928 5 HG2 ARG 375 HG2 ARG 375 2.693 -17.123 8.322 6 HG3 ARG 375 HG3 ARG 375 3.840 -18.421 8.655 7 HD2 ARG 375 HD2 ARG 375 5.612 -16.959 7.485 8 HD3 ARG 375 HD3 ARG 375 4.442 -15.648 7.565 9 HE ARG 375 HE ARG 375 4.491 -16.332 10.104 10 HH21 ARG 375 HH11 ARG 375 6.057 -15.874 11.729 11 HH22 ARG 375 HH12 ARG 375 7.706 -15.622 11.258 12 HH11 ARG 375 HH21 ARG 375 7.140 -16.105 7.872 13 HH12 ARG 375 HH22 ARG 375 8.313 -15.751 9.096 No H/Q in entry = 13 In of MODEL 2 1 H ALA 376 H ALA 376 0.702 -17.396 6.111 2 HA ALA 376 HA ALA 376 -0.581 -17.284 8.564 3 HB2 ALA 376 HB1 ALA 376 -0.808 -15.487 7.115 4 HB3 ALA 376 HB2 ALA 376 -2.419 -16.186 7.296 5 HB1 ALA 376 HB3 ALA 376 -1.478 -16.500 5.838 No H/Q in entry = 5 In of MODEL 2 1 H ILE 377 H ILE 377 -1.598 -19.185 5.683 2 HA ILE 377 HA ILE 377 -4.011 -20.057 6.862 3 HB ILE 377 HB ILE 377 -2.327 -21.402 4.725 4 HG12 ILE 377 HG12 ILE 377 -5.112 -20.398 4.309 5 HG13 ILE 377 HG13 ILE 377 -3.794 -19.246 4.371 6 HG22 ILE 377 HG21 ILE 377 -4.571 -22.799 4.422 7 HG21 ILE 377 HG22 ILE 377 -4.744 -22.467 6.145 8 HG23 ILE 377 HG23 ILE 377 -3.319 -23.319 5.553 9 HD12 ILE 377 HD11 ILE 377 -4.043 -21.563 2.405 10 HD11 ILE 377 HD12 ILE 377 -2.681 -20.444 2.475 11 HD13 ILE 377 HD13 ILE 377 -4.284 -19.853 2.033 No H/Q in entry = 11 In of MODEL 2 1 H LEU 378 H LEU 378 -0.845 -21.711 6.632 2 HA LEU 378 HA LEU 378 -1.481 -23.921 8.126 3 HB2 LEU 378 HB2 LEU 378 1.100 -22.398 7.880 4 HB3 LEU 378 HB3 LEU 378 0.977 -23.841 8.886 5 HG LEU 378 HG LEU 378 -0.115 -23.949 6.138 6 HD11 LEU 378 HD11 LEU 378 2.838 -23.985 6.721 7 HD13 LEU 378 HD12 LEU 378 1.958 -22.866 5.680 8 HD12 LEU 378 HD13 LEU 378 2.110 -24.562 5.222 9 HD21 LEU 378 HD21 LEU 378 -0.278 -25.833 7.817 10 HD23 LEU 378 HD22 LEU 378 1.472 -26.017 7.680 11 HD22 LEU 378 HD23 LEU 378 0.444 -26.275 6.268 No H/Q in entry = 11 In of MODEL 2 1 H ARG 379 H ARG 379 -0.289 -20.804 9.362 2 HA ARG 379 HA ARG 379 -0.215 -21.660 12.016 3 HB2 ARG 379 HB2 ARG 379 -0.573 -18.930 10.811 4 HB3 ARG 379 HB3 ARG 379 -0.454 -19.191 12.538 5 HG2 ARG 379 HG2 ARG 379 1.757 -20.119 12.247 6 HG3 ARG 379 HG3 ARG 379 1.625 -19.891 10.500 7 HD2 ARG 379 HD2 ARG 379 2.818 -18.027 11.498 8 HD3 ARG 379 HD3 ARG 379 1.265 -17.490 10.854 9 HE ARG 379 HE ARG 379 1.392 -18.241 13.679 10 HH21 ARG 379 HH11 ARG 379 0.714 -16.768 15.162 11 HH22 ARG 379 HH12 ARG 379 0.378 -15.138 14.681 12 HH11 ARG 379 HH21 ARG 379 1.144 -15.698 11.321 13 HH12 ARG 379 HH22 ARG 379 0.626 -14.525 12.484 No H/Q in entry = 13 In of MODEL 2 1 H ALA 380 H ALA 380 -2.817 -20.188 10.071 2 HA ALA 380 HA ALA 380 -4.646 -19.867 12.219 3 HB2 ALA 380 HB1 ALA 380 -4.812 -18.826 9.970 4 HB3 ALA 380 HB2 ALA 380 -6.306 -19.529 10.591 5 HB1 ALA 380 HB3 ALA 380 -5.368 -20.386 9.366 No H/Q in entry = 5 In of MODEL 2 1 H SER 381 H SER 381 -3.706 -22.694 10.401 2 HA SER 381 HA SER 381 -6.025 -24.241 10.889 3 HB2 SER 381 HB2 SER 381 -3.260 -25.357 10.461 4 HB3 SER 381 HB3 SER 381 -4.798 -26.102 10.074 5 HG SER 381 HG SER 381 -4.914 -24.015 8.669 No H/Q in entry = 5 In of MODEL 2 1 H ALA 382 H ALA 382 -3.734 -23.090 13.032 2 HA ALA 382 HA ALA 382 -3.758 -25.390 14.791 3 HB2 ALA 382 HB1 ALA 382 -1.850 -23.983 15.014 4 HB3 ALA 382 HB2 ALA 382 -2.827 -23.736 16.462 5 HB1 ALA 382 HB3 ALA 382 -2.850 -22.540 15.166 No H/Q in entry = 5 In of MODEL 2 1 H PHE 383 H PHE 383 -6.086 -23.339 13.784 2 HA PHE 383 HA PHE 383 -7.347 -23.236 16.434 3 HB2 PHE 383 HB2 PHE 383 -7.347 -21.096 14.328 4 HB3 PHE 383 HB3 PHE 383 -8.344 -21.064 15.773 5 HD1 PHE 383 HD1 PHE 383 -4.970 -20.883 14.444 6 HD2 PHE 383 HD2 PHE 383 -7.402 -20.679 17.917 7 HE1 PHE 383 HE1 PHE 383 -3.036 -19.999 15.719 8 HE2 PHE 383 HE2 PHE 383 -5.482 -19.778 19.237 9 HZ PHE 383 HZ PHE 383 -3.281 -19.432 18.137 No H/Q in entry = 9 In of MODEL 2 1 H GLY 384 H GLY 384 -7.832 -24.722 13.607 2 HA3 GLY 384 HA2 GLY 384 -10.404 -25.555 14.143 3 HA2 GLY 384 HA3 GLY 384 -10.574 -24.143 13.090 No H/Q in entry = 3 In of MODEL 2 1 H LYS 385 H LYS 385 -11.291 -26.801 12.241 2 HA LYS 385 HA LYS 385 -9.107 -27.932 10.805 3 HB2 LYS 385 HB2 LYS 385 -12.035 -28.315 10.222 4 HB3 LYS 385 HB3 LYS 385 -10.720 -29.307 9.628 5 HG2 LYS 385 HG2 LYS 385 -11.321 -28.964 12.561 6 HG3 LYS 385 HG3 LYS 385 -12.024 -30.248 11.570 7 HD2 LYS 385 HD2 LYS 385 -9.733 -30.902 10.909 8 HD3 LYS 385 HD3 LYS 385 -9.108 -29.714 12.044 9 HE2 LYS 385 HE2 LYS 385 -10.899 -32.035 12.811 10 HE3 LYS 385 HE3 LYS 385 -9.148 -32.048 12.944 11 HZ3 LYS 385 HZ1 LYS 385 -10.009 -31.504 15.074 12 HZ2 LYS 385 HZ2 LYS 385 -11.062 -30.330 14.443 13 HZ1 LYS 385 HZ3 LYS 385 -9.386 -30.058 14.441 No H/Q in entry = 13 In of MODEL 2 1 H LEU 386 H LEU 386 -8.042 -26.975 9.250 2 HA LEU 386 HA LEU 386 -9.556 -25.549 7.140 3 HB2 LEU 386 HB2 LEU 386 -6.988 -24.944 8.502 4 HB3 LEU 386 HB3 LEU 386 -7.060 -24.650 6.787 5 HG LEU 386 HG LEU 386 -8.883 -23.038 7.154 6 HD11 LEU 386 HD11 LEU 386 -9.684 -24.348 9.195 7 HD13 LEU 386 HD12 LEU 386 -9.651 -22.596 9.399 8 HD12 LEU 386 HD13 LEU 386 -8.371 -23.588 10.097 9 HD21 LEU 386 HD21 LEU 386 -6.272 -22.844 8.655 10 HD23 LEU 386 HD22 LEU 386 -7.416 -21.503 8.694 11 HD22 LEU 386 HD23 LEU 386 -6.740 -22.043 7.156 No H/Q in entry = 11 In of MODEL 2 1 H ARG 387 H ARG 387 -8.949 -25.990 5.046 2 HA ARG 387 HA ARG 387 -6.787 -27.929 4.614 3 HB2 ARG 387 HB2 ARG 387 -9.172 -27.649 2.797 4 HB3 ARG 387 HB3 ARG 387 -7.896 -28.854 2.720 5 HG2 ARG 387 HG2 ARG 387 -8.643 -29.583 4.976 6 HG3 ARG 387 HG3 ARG 387 -10.036 -28.545 4.756 7 HD2 ARG 387 HD2 ARG 387 -10.211 -29.988 2.478 8 HD3 ARG 387 HD3 ARG 387 -9.410 -31.170 3.511 9 HE ARG 387 HE ARG 387 -12.128 -30.285 3.707 10 HH21 ARG 387 HH11 ARG 387 -13.460 -31.126 5.325 11 HH22 ARG 387 HH12 ARG 387 -12.754 -31.889 6.710 12 HH11 ARG 387 HH21 ARG 387 -9.438 -31.384 5.687 13 HH12 ARG 387 HH22 ARG 387 -10.467 -32.037 6.917 No H/Q in entry = 13 In of MODEL 2 1 H ILE 388 H ILE 388 -5.580 -27.504 2.661 2 HA ILE 388 HA ILE 388 -5.667 -24.687 1.721 3 HB ILE 388 HB ILE 388 -3.416 -24.700 2.082 4 HG12 ILE 388 HG12 ILE 388 -2.005 -26.107 0.526 5 HG13 ILE 388 HG13 ILE 388 -3.503 -26.794 -0.078 6 HG23 ILE 388 HG21 ILE 388 -3.393 -26.394 3.733 7 HG22 ILE 388 HG22 ILE 388 -2.132 -26.856 2.588 8 HG21 ILE 388 HG23 ILE 388 -3.697 -27.667 2.549 9 HD11 ILE 388 HD11 ILE 388 -4.005 -24.115 -0.227 10 HD13 ILE 388 HD12 ILE 388 -3.435 -25.121 -1.559 11 HD12 ILE 388 HD13 ILE 388 -2.282 -24.194 -0.597 No H/Q in entry = 11 In of MODEL 2 1 H MET 389 H MET 389 -6.007 -24.337 -0.403 2 HA MET 389 HA MET 389 -5.752 -26.635 -2.227 3 HB2 MET 389 HB2 MET 389 -8.108 -26.542 -1.544 4 HB3 MET 389 HB3 MET 389 -8.171 -24.842 -1.961 5 HG2 MET 389 HG2 MET 389 -7.825 -25.361 -4.252 6 HG3 MET 389 HG3 MET 389 -7.625 -27.066 -3.863 7 HE3 MET 389 HE1 MET 389 -10.543 -24.076 -2.945 8 HE2 MET 389 HE2 MET 389 -11.526 -24.496 -4.343 9 HE1 MET 389 HE3 MET 389 -9.837 -24.051 -4.568 No H/Q in entry = 9 In of MODEL 2 1 H PHE 390 H PHE 390 -5.201 -25.982 -4.251 2 HA PHE 390 HA PHE 390 -4.342 -23.181 -4.563 3 HB2 PHE 390 HB2 PHE 390 -3.033 -25.663 -4.963 4 HB3 PHE 390 HB3 PHE 390 -3.226 -24.893 -6.527 5 HD1 PHE 390 HD1 PHE 390 -3.047 -22.800 -3.585 6 HD2 PHE 390 HD2 PHE 390 -0.791 -24.717 -6.653 7 HE1 PHE 390 HE1 PHE 390 -1.114 -21.322 -3.043 8 HE2 PHE 390 HE2 PHE 390 1.151 -23.266 -6.162 9 HZ PHE 390 HZ PHE 390 1.009 -21.541 -4.350 No H/Q in entry = 9 In of MODEL 2 1 HA PRO 391 HA PRO 391 -7.067 -22.915 -8.076 2 HB2 PRO 391 HB2 PRO 391 -6.489 -20.326 -8.660 3 HB3 PRO 391 HB3 PRO 391 -7.483 -20.791 -7.261 4 HG2 PRO 391 HG2 PRO 391 -4.619 -19.938 -7.339 5 HG3 PRO 391 HG3 PRO 391 -5.843 -19.642 -6.099 6 HD2 PRO 391 HD2 PRO 391 -3.838 -21.604 -5.970 7 HD3 PRO 391 HD3 PRO 391 -5.329 -21.549 -5.000 No H/Q in entry = 7 In of MODEL 2 1 H MET 392 H MET 392 -6.913 -22.564 -10.408 2 HA MET 392 HA MET 392 -5.960 -22.663 -12.466 3 HB2 MET 392 HB2 MET 392 -4.148 -20.759 -11.071 4 HB3 MET 392 HB3 MET 392 -4.009 -21.116 -12.783 5 HG2 MET 392 HG2 MET 392 -6.741 -20.533 -12.137 6 HG3 MET 392 HG3 MET 392 -5.706 -19.257 -11.520 7 HE1 MET 392 HE1 MET 392 -5.651 -21.626 -14.747 8 HE3 MET 392 HE2 MET 392 -6.246 -20.555 -16.012 9 HE2 MET 392 HE3 MET 392 -7.296 -20.982 -14.665 No H/Q in entry = 9 In of MODEL 2 1 H ILE 393 H ILE 393 -4.861 -24.734 -10.648 2 HA ILE 393 HA ILE 393 -2.164 -25.246 -11.330 3 HB ILE 393 HB ILE 393 -4.463 -26.893 -10.408 4 HG12 ILE 393 HG12 ILE 393 -3.392 -25.447 -8.797 5 HG13 ILE 393 HG13 ILE 393 -3.135 -27.131 -8.391 6 HG22 ILE 393 HG21 ILE 393 -2.614 -28.750 -10.186 7 HG21 ILE 393 HG22 ILE 393 -1.925 -27.905 -11.573 8 HG23 ILE 393 HG23 ILE 393 -3.562 -28.558 -11.662 9 HD11 ILE 393 HD11 ILE 393 -0.930 -26.605 -9.839 10 HD13 ILE 393 HD12 ILE 393 -1.039 -26.469 -8.083 11 HD12 ILE 393 HD13 ILE 393 -1.236 -25.038 -9.097 No H/Q in entry = 11 In of MODEL 2 1 H ILE 394 H ILE 394 -1.248 -26.175 -13.024 2 HA ILE 394 HA ILE 394 -2.992 -27.089 -15.202 3 HB ILE 394 HB ILE 394 -1.792 -25.849 -16.737 4 HG12 ILE 394 HG12 ILE 394 0.371 -26.356 -15.873 5 HG13 ILE 394 HG13 ILE 394 0.208 -24.622 -16.155 6 HG22 ILE 394 HG21 ILE 394 -1.971 -23.933 -14.461 7 HG21 ILE 394 HG22 ILE 394 -3.398 -24.572 -15.278 8 HG23 ILE 394 HG23 ILE 394 -2.205 -23.640 -16.183 9 HD13 ILE 394 HD11 ILE 394 1.113 -24.666 -14.080 10 HD12 ILE 394 HD12 ILE 394 0.248 -26.135 -13.624 11 HD11 ILE 394 HD13 ILE 394 -0.609 -24.597 -13.719 No H/Q in entry = 11 In of MODEL 2 1 H SER 395 H SER 395 -0.211 -27.780 -13.369 2 HA SER 395 HA SER 395 0.409 -30.079 -15.088 3 HB2 SER 395 HB2 SER 395 2.289 -27.851 -14.312 4 HB3 SER 395 HB3 SER 395 2.847 -29.417 -14.873 5 HG SER 395 HG SER 395 2.721 -28.305 -16.718 No H/Q in entry = 5 In of MODEL 2 1 H VAL 396 H VAL 396 1.836 -31.651 -14.006 2 HA VAL 396 HA VAL 396 1.432 -31.842 -11.171 3 HB VAL 396 HB VAL 396 2.506 -33.867 -11.270 4 HG13 VAL 396 HG11 VAL 396 1.896 -35.013 -13.318 5 HG12 VAL 396 HG12 VAL 396 1.700 -33.467 -14.145 6 HG11 VAL 396 HG13 VAL 396 0.617 -33.905 -12.825 7 HG23 VAL 396 HG21 VAL 396 4.252 -34.430 -12.971 8 HG22 VAL 396 HG22 VAL 396 4.693 -33.068 -11.941 9 HG21 VAL 396 HG23 VAL 396 4.129 -32.782 -13.588 No H/Q in entry = 9 In of MODEL 2 1 H GLU 397 H GLU 397 3.958 -30.653 -13.364 2 HA GLU 397 HA GLU 397 6.036 -30.220 -11.583 3 HB2 GLU 397 HB2 GLU 397 6.108 -29.636 -13.975 4 HB3 GLU 397 HB3 GLU 397 5.134 -28.219 -13.631 5 HG2 GLU 397 HG2 GLU 397 6.886 -27.329 -12.206 6 HG3 GLU 397 HG3 GLU 397 7.842 -28.783 -12.423 No H/Q in entry = 6 In of MODEL 2 1 H GLU 398 H GLU 398 3.361 -27.917 -12.163 2 HA GLU 398 HA GLU 398 4.092 -26.027 -10.273 3 HB2 GLU 398 HB2 GLU 398 2.221 -25.904 -12.012 4 HB3 GLU 398 HB3 GLU 398 1.207 -26.644 -10.788 5 HG2 GLU 398 HG2 GLU 398 0.889 -24.348 -10.649 6 HG3 GLU 398 HG3 GLU 398 1.869 -24.813 -9.271 No H/Q in entry = 6 In of MODEL 2 1 H VAL 399 H VAL 399 1.865 -28.772 -9.704 2 HA VAL 399 HA VAL 399 1.333 -28.216 -7.019 3 HB VAL 399 HB VAL 399 1.610 -31.010 -8.066 4 HG12 VAL 399 HG11 VAL 399 -0.156 -29.692 -6.042 5 HG11 VAL 399 HG12 VAL 399 1.245 -30.711 -5.704 6 HG13 VAL 399 HG13 VAL 399 -0.182 -31.396 -6.488 7 HG23 VAL 399 HG21 VAL 399 -0.732 -30.791 -8.840 8 HG22 VAL 399 HG22 VAL 399 0.330 -29.678 -9.705 9 HG21 VAL 399 HG23 VAL 399 -0.711 -29.080 -8.414 No H/Q in entry = 9 In of MODEL 2 1 H ARG 400 H ARG 400 3.994 -30.270 -8.271 2 HA ARG 400 HA ARG 400 4.920 -30.961 -5.706 3 HB2 ARG 400 HB2 ARG 400 6.407 -30.807 -8.318 4 HB3 ARG 400 HB3 ARG 400 7.079 -31.462 -6.833 5 HG2 ARG 400 HG2 ARG 400 5.317 -33.113 -6.778 6 HG3 ARG 400 HG3 ARG 400 4.655 -32.450 -8.272 7 HD2 ARG 400 HD2 ARG 400 7.415 -33.520 -7.925 8 HD3 ARG 400 HD3 ARG 400 6.060 -34.394 -8.638 9 HE ARG 400 HE ARG 400 6.314 -31.938 -9.960 10 HH21 ARG 400 HH11 ARG 400 7.289 -31.753 -11.955 11 HH22 ARG 400 HH12 ARG 400 8.384 -32.974 -12.511 12 HH11 ARG 400 HH21 ARG 400 8.159 -34.932 -9.611 13 HH12 ARG 400 HH22 ARG 400 8.883 -34.789 -11.178 No H/Q in entry = 13 In of MODEL 2 1 H ALA 401 H ALA 401 5.559 -28.127 -7.756 2 HA ALA 401 HA ALA 401 7.806 -27.365 -6.213 3 HB3 ALA 401 HB1 ALA 401 7.637 -26.535 -8.439 4 HB2 ALA 401 HB2 ALA 401 7.579 -25.166 -7.327 5 HB1 ALA 401 HB3 ALA 401 6.097 -25.754 -8.084 No H/Q in entry = 5 In of MODEL 2 1 H LEU 402 H LEU 402 4.407 -26.875 -5.926 2 HA LEU 402 HA LEU 402 4.602 -24.755 -3.994 3 HB2 LEU 402 HB2 LEU 402 2.660 -24.356 -4.927 4 HB3 LEU 402 HB3 LEU 402 2.591 -25.924 -5.648 5 HG LEU 402 HG LEU 402 0.564 -25.473 -4.561 6 HD12 LEU 402 HD11 LEU 402 1.733 -27.271 -2.550 7 HD11 LEU 402 HD12 LEU 402 1.892 -27.707 -4.251 8 HD13 LEU 402 HD13 LEU 402 0.293 -27.448 -3.552 9 HD22 LEU 402 HD21 LEU 402 0.245 -24.994 -2.196 10 HD21 LEU 402 HD22 LEU 402 1.313 -23.769 -2.878 11 HD23 LEU 402 HD23 LEU 402 1.984 -25.074 -1.901 No H/Q in entry = 11 In of MODEL 2 1 H ARG 403 H ARG 403 3.968 -28.225 -3.898 2 HA ARG 403 HA ARG 403 3.321 -28.527 -1.133 3 HB2 ARG 403 HB2 ARG 403 4.674 -30.306 -3.136 4 HB3 ARG 403 HB3 ARG 403 4.307 -30.812 -1.496 5 HG2 ARG 403 HG2 ARG 403 2.146 -29.719 -3.262 6 HG3 ARG 403 HG3 ARG 403 2.652 -31.405 -3.395 7 HD2 ARG 403 HD2 ARG 403 2.449 -30.891 -0.673 8 HD3 ARG 403 HD3 ARG 403 1.036 -30.135 -1.403 9 HE ARG 403 HE ARG 403 1.021 -32.528 -2.591 10 HH21 ARG 403 HH11 ARG 403 0.059 -34.420 -1.833 11 HH22 ARG 403 HH12 ARG 403 -0.069 -34.695 -0.128 12 HH11 ARG 403 HH21 ARG 403 1.474 -31.654 0.752 13 HH12 ARG 403 HH22 ARG 403 0.745 -33.103 1.362 No H/Q in entry = 13 In of MODEL 2 1 H LYS 404 H LYS 404 6.283 -28.532 -2.982 2 HA LYS 404 HA LYS 404 8.126 -29.098 -0.929 3 HB2 LYS 404 HB2 LYS 404 8.119 -28.083 -3.653 4 HB3 LYS 404 HB3 LYS 404 9.347 -27.326 -2.664 5 HG2 LYS 404 HG2 LYS 404 9.771 -29.926 -2.054 6 HG3 LYS 404 HG3 LYS 404 9.199 -30.056 -3.729 7 HD2 LYS 404 HD2 LYS 404 11.645 -29.634 -3.650 8 HD3 LYS 404 HD3 LYS 404 10.775 -28.310 -4.427 9 HE2 LYS 404 HE2 LYS 404 10.706 -27.322 -1.949 10 HE3 LYS 404 HE3 LYS 404 12.073 -28.382 -1.696 11 HZ3 LYS 404 HZ1 LYS 404 13.082 -26.415 -2.259 12 HZ2 LYS 404 HZ2 LYS 404 11.870 -25.958 -3.357 13 HZ1 LYS 404 HZ3 LYS 404 12.999 -27.153 -3.784 No H/Q in entry = 13 In of MODEL 2 1 H GLU 405 H GLU 405 6.782 -26.118 -2.251 2 HA GLU 405 HA GLU 405 8.053 -24.337 -0.505 3 HB2 GLU 405 HB2 GLU 405 6.311 -24.157 -2.618 4 HB3 GLU 405 HB3 GLU 405 5.372 -23.559 -1.262 5 HG2 GLU 405 HG2 GLU 405 6.626 -21.786 -2.483 6 HG3 GLU 405 HG3 GLU 405 7.004 -21.875 -0.774 No H/Q in entry = 6 In of MODEL 2 1 H ILE 406 H ILE 406 4.784 -25.861 -0.162 2 HA ILE 406 HA ILE 406 4.192 -24.832 2.343 3 HB ILE 406 HB ILE 406 3.581 -27.514 1.131 4 HG12 ILE 406 HG12 ILE 406 1.709 -25.282 1.877 5 HG13 ILE 406 HG13 ILE 406 2.560 -25.304 0.342 6 HG22 ILE 406 HG21 ILE 406 1.889 -27.769 2.964 7 HG21 ILE 406 HG22 ILE 406 2.718 -26.470 3.822 8 HG23 ILE 406 HG23 ILE 406 3.565 -27.976 3.471 9 HD13 ILE 406 HD11 ILE 406 1.123 -26.751 -0.509 10 HD12 ILE 406 HD12 ILE 406 0.136 -26.494 0.931 11 HD11 ILE 406 HD13 ILE 406 1.288 -27.829 0.876 No H/Q in entry = 11 In of MODEL 2 1 H GLU 407 H GLU 407 6.019 -27.868 1.710 2 HA GLU 407 HA GLU 407 6.554 -28.498 4.308 3 HB2 GLU 407 HB2 GLU 407 8.053 -29.042 1.782 4 HB3 GLU 407 HB3 GLU 407 8.585 -29.675 3.332 5 HG2 GLU 407 HG2 GLU 407 6.069 -30.275 1.813 6 HG3 GLU 407 HG3 GLU 407 7.277 -31.392 2.429 No H/Q in entry = 6 In of MODEL 2 1 H ILE 408 H ILE 408 8.288 -26.143 2.349 2 HA ILE 408 HA ILE 408 10.407 -25.770 4.231 3 HB ILE 408 HB ILE 408 9.364 -23.984 2.047 4 HG12 ILE 408 HG12 ILE 408 11.825 -25.740 2.219 5 HG13 ILE 408 HG13 ILE 408 10.395 -26.070 1.265 6 HG22 ILE 408 HG21 ILE 408 11.623 -22.830 2.397 7 HG21 ILE 408 HG22 ILE 408 11.631 -23.613 3.978 8 HG23 ILE 408 HG23 ILE 408 10.337 -22.491 3.555 9 HD11 ILE 408 HD11 ILE 408 10.992 -23.757 0.088 10 HD13 ILE 408 HD12 ILE 408 11.868 -25.218 -0.367 11 HD12 ILE 408 HD13 ILE 408 12.601 -24.064 0.746 No H/Q in entry = 11 In of MODEL 2 1 H TYR 409 H TYR 409 7.429 -23.969 3.541 2 HA TYR 409 HA TYR 409 7.684 -22.111 5.624 3 HB2 TYR 409 HB2 TYR 409 5.169 -23.170 4.350 4 HB3 TYR 409 HB3 TYR 409 5.331 -21.676 5.263 5 HD1 TYR 409 HD1 TYR 409 4.540 -22.307 2.170 6 HD2 TYR 409 HD2 TYR 409 7.980 -20.802 4.209 7 HE1 TYR 409 HE1 TYR 409 5.257 -21.095 0.109 8 HE2 TYR 409 HE2 TYR 409 8.696 -19.637 2.226 9 HH TYR 409 HH TYR 409 8.162 -18.914 0.310 No H/Q in entry = 9 In of MODEL 2 1 H LYS 410 H LYS 410 6.540 -25.452 5.605 2 HA LYS 410 HA LYS 410 5.166 -25.315 8.091 3 HB2 LYS 410 HB2 LYS 410 6.345 -27.538 6.464 4 HB3 LYS 410 HB3 LYS 410 5.898 -27.855 8.124 5 HG2 LYS 410 HG2 LYS 410 3.572 -27.150 7.583 6 HG3 LYS 410 HG3 LYS 410 4.062 -26.949 5.900 7 HD2 LYS 410 HD2 LYS 410 4.725 -29.265 5.806 8 HD3 LYS 410 HD3 LYS 410 4.289 -29.473 7.495 9 HE2 LYS 410 HE2 LYS 410 1.959 -28.568 6.629 10 HE3 LYS 410 HE3 LYS 410 2.556 -29.228 5.103 11 HZ3 LYS 410 HZ1 LYS 410 1.741 -31.119 5.941 12 HZ2 LYS 410 HZ2 LYS 410 1.828 -30.587 7.553 13 HZ1 LYS 410 HZ3 LYS 410 3.219 -31.170 6.770 No H/Q in entry = 13 In of MODEL 2 1 H GLN 411 H GLN 411 8.501 -26.143 7.179 2 HA GLN 411 HA GLN 411 9.376 -26.875 9.756 3 HB2 GLN 411 HB2 GLN 411 10.572 -26.397 7.187 4 HB3 GLN 411 HB3 GLN 411 11.535 -25.652 8.440 5 HG2 GLN 411 HG2 GLN 411 10.984 -28.524 7.908 6 HG3 GLN 411 HG3 GLN 411 12.502 -27.719 8.258 7 HE21 GLN 411 HE21 GLN 411 10.732 -30.036 9.391 8 HE22 GLN 411 HE22 GLN 411 10.845 -29.799 11.069 No H/Q in entry = 8 In of MODEL 2 1 H GLU 412 H GLU 412 9.593 -23.804 7.994 2 HA GLU 412 HA GLU 412 10.992 -22.360 9.885 3 HB2 GLU 412 HB2 GLU 412 8.788 -21.454 8.048 4 HB3 GLU 412 HB3 GLU 412 9.889 -20.387 8.911 5 HG2 GLU 412 HG2 GLU 412 11.792 -21.428 7.749 6 HG3 GLU 412 HG3 GLU 412 10.686 -22.478 6.883 No H/Q in entry = 6 In of MODEL 2 1 H LEU 413 H LEU 413 7.433 -22.751 9.622 2 HA LEU 413 HA LEU 413 6.806 -21.400 11.978 3 HB2 LEU 413 HB2 LEU 413 5.402 -23.757 10.769 4 HB3 LEU 413 HB3 LEU 413 4.772 -22.793 12.088 5 HG LEU 413 HG LEU 413 5.403 -21.825 9.309 6 HD12 LEU 413 HD11 LEU 413 2.881 -21.565 9.236 7 HD11 LEU 413 HD12 LEU 413 2.842 -22.576 10.681 8 HD13 LEU 413 HD13 LEU 413 3.520 -23.209 9.180 9 HD21 LEU 413 HD21 LEU 413 4.423 -20.331 11.747 10 HD23 LEU 413 HD22 LEU 413 3.965 -19.795 10.130 11 HD22 LEU 413 HD23 LEU 413 5.668 -19.865 10.585 No H/Q in entry = 11 In of MODEL 2 1 H ARG 414 H ARG 414 7.400 -24.922 11.680 2 HA ARG 414 HA ARG 414 7.393 -25.697 14.342 3 HB2 ARG 414 HB2 ARG 414 8.944 -26.599 11.975 4 HB3 ARG 414 HB3 ARG 414 9.382 -27.211 13.562 5 HG2 ARG 414 HG2 ARG 414 7.035 -27.966 13.888 6 HG3 ARG 414 HG3 ARG 414 6.641 -27.397 12.281 7 HD2 ARG 414 HD2 ARG 414 8.647 -29.586 12.875 8 HD3 ARG 414 HD3 ARG 414 6.968 -29.862 12.412 9 HE ARG 414 HE ARG 414 8.994 -28.542 10.726 10 HH21 ARG 414 HH11 ARG 414 8.785 -28.705 8.549 11 HH22 ARG 414 HH12 ARG 414 7.454 -29.568 7.853 12 HH11 ARG 414 HH21 ARG 414 6.002 -30.421 10.950 13 HH12 ARG 414 HH22 ARG 414 5.854 -30.555 9.229 No H/Q in entry = 13 In of MODEL 2 1 H ASP 415 H ASP 415 9.984 -24.019 12.642 2 HA ASP 415 HA ASP 415 11.839 -24.191 14.805 3 HB2 ASP 415 HB2 ASP 415 11.773 -22.582 12.263 4 HB3 ASP 415 HB3 ASP 415 13.106 -22.521 13.406 No H/Q in entry = 4 In of MODEL 2 1 H GLU 416 H GLU 416 9.337 -21.957 13.999 2 HA GLU 416 HA GLU 416 10.508 -19.889 15.709 3 HB2 GLU 416 HB2 GLU 416 7.925 -19.716 14.232 4 HB3 GLU 416 HB3 GLU 416 8.927 -18.418 14.829 5 HG2 GLU 416 HG2 GLU 416 10.600 -19.013 13.118 6 HG3 GLU 416 HG3 GLU 416 9.459 -20.200 12.487 No H/Q in entry = 6 In of MODEL 2 1 H GLY 417 H GLY 417 8.818 -22.583 16.280 2 HA3 GLY 417 HA2 GLY 417 7.580 -23.356 18.049 3 HA2 GLY 417 HA3 GLY 417 7.897 -21.815 18.838 No H/Q in entry = 3 In of MODEL 2 1 H LYS 418 H LYS 418 6.240 -22.608 15.874 2 HA LYS 418 HA LYS 418 3.752 -21.336 16.788 3 HB2 LYS 418 HB2 LYS 418 5.302 -21.103 14.247 4 HB3 LYS 418 HB3 LYS 418 3.572 -20.825 14.256 5 HG2 LYS 418 HG2 LYS 418 3.945 -19.145 16.024 6 HG3 LYS 418 HG3 LYS 418 5.673 -19.359 15.778 7 HD2 LYS 418 HD2 LYS 418 5.379 -18.727 13.388 8 HD3 LYS 418 HD3 LYS 418 3.670 -18.418 13.712 9 HE2 LYS 418 HE2 LYS 418 4.097 -16.520 14.937 10 HE3 LYS 418 HE3 LYS 418 5.619 -17.134 15.556 11 HZ2 LYS 418 HZ1 LYS 418 5.064 -15.901 12.957 12 HZ1 LYS 418 HZ2 LYS 418 6.489 -16.770 13.274 13 HZ3 LYS 418 HZ3 LYS 418 6.120 -15.377 14.175 No H/Q in entry = 13 In of MODEL 2 1 H ALA 419 H ALA 419 2.279 -22.859 17.035 2 HA ALA 419 HA ALA 419 2.246 -25.438 15.948 3 HB1 ALA 419 HB1 ALA 419 0.108 -25.694 16.979 4 HB3 ALA 419 HB2 ALA 419 -0.245 -23.970 16.867 5 HB2 ALA 419 HB3 ALA 419 0.962 -24.549 18.015 No H/Q in entry = 5 In of MODEL 2 1 H PHE 420 H PHE 420 1.126 -26.354 14.359 2 HA PHE 420 HA PHE 420 -0.879 -25.021 12.891 3 HB2 PHE 420 HB2 PHE 420 0.080 -25.399 10.662 4 HB3 PHE 420 HB3 PHE 420 1.031 -24.240 11.570 5 HD1 PHE 420 HD1 PHE 420 0.924 -27.729 10.308 6 HD2 PHE 420 HD2 PHE 420 3.306 -24.681 12.087 7 HE1 PHE 420 HE1 PHE 420 2.957 -29.070 9.845 8 HE2 PHE 420 HE2 PHE 420 5.314 -26.014 11.636 9 HZ PHE 420 HZ PHE 420 5.151 -28.209 10.547 No H/Q in entry = 9 In of MODEL 2 1 H ASP 421 H ASP 421 -2.090 -26.616 11.761 2 HA ASP 421 HA ASP 421 -2.252 -29.101 13.128 3 HB2 ASP 421 HB2 ASP 421 -4.203 -27.908 12.122 4 HB3 ASP 421 HB3 ASP 421 -3.514 -28.143 10.525 No H/Q in entry = 4 In of MODEL 2 1 H GLU 422 H GLU 422 -0.667 -30.625 12.798 2 HA GLU 422 HA GLU 422 0.959 -30.657 10.440 3 HB2 GLU 422 HB2 GLU 422 0.650 -32.726 12.604 4 HB3 GLU 422 HB3 GLU 422 1.774 -32.870 11.273 5 HG2 GLU 422 HG2 GLU 422 1.893 -30.482 13.121 6 HG3 GLU 422 HG3 GLU 422 2.605 -32.002 13.607 No H/Q in entry = 6 In of MODEL 2 1 H SER 423 H SER 423 -2.141 -31.869 11.058 2 HA SER 423 HA SER 423 -2.148 -34.128 9.244 3 HB2 SER 423 HB2 SER 423 -4.000 -32.721 11.062 4 HB3 SER 423 HB3 SER 423 -4.748 -33.430 9.636 5 HG SER 423 HG SER 423 -2.900 -34.877 11.177 No H/Q in entry = 5 In of MODEL 2 1 H ILE 424 H ILE 424 -2.012 -30.892 8.624 2 HA ILE 424 HA ILE 424 -4.429 -30.359 7.481 3 HB ILE 424 HB ILE 424 -2.997 -28.566 8.165 4 HG12 ILE 424 HG12 ILE 424 -3.342 -28.209 5.215 5 HG13 ILE 424 HG13 ILE 424 -4.734 -28.421 6.263 6 HG23 ILE 424 HG21 ILE 424 -0.939 -28.011 7.219 7 HG22 ILE 424 HG22 ILE 424 -1.236 -28.967 5.767 8 HG21 ILE 424 HG23 ILE 424 -0.896 -29.772 7.299 9 HD13 ILE 424 HD11 ILE 424 -4.411 -26.156 6.003 10 HD12 ILE 424 HD12 ILE 424 -2.678 -26.297 6.309 11 HD11 ILE 424 HD13 ILE 424 -3.834 -26.566 7.615 No H/Q in entry = 11 In of MODEL 2 1 H GLU 425 H GLU 425 -5.404 -30.676 5.633 2 HA GLU 425 HA GLU 425 -3.898 -32.257 3.725 3 HB2 GLU 425 HB2 GLU 425 -6.818 -31.652 3.609 4 HB3 GLU 425 HB3 GLU 425 -5.941 -32.933 2.795 5 HG2 GLU 425 HG2 GLU 425 -5.585 -34.086 4.844 6 HG3 GLU 425 HG3 GLU 425 -6.209 -32.723 5.779 No H/Q in entry = 6 In of MODEL 2 1 H ILE 426 H ILE 426 -3.738 -31.913 1.666 2 HA ILE 426 HA ILE 426 -4.054 -29.142 0.746 3 HB ILE 426 HB ILE 426 -1.893 -31.149 0.152 4 HG12 ILE 426 HG12 ILE 426 -2.143 -28.951 2.185 5 HG13 ILE 426 HG13 ILE 426 -1.924 -30.659 2.483 6 HG23 ILE 426 HG21 ILE 426 -1.896 -29.585 -1.600 7 HG22 ILE 426 HG22 ILE 426 -0.693 -28.957 -0.473 8 HG21 ILE 426 HG23 ILE 426 -2.307 -28.249 -0.526 9 HD13 ILE 426 HD11 ILE 426 0.227 -30.365 2.559 10 HD12 ILE 426 HD12 ILE 426 -0.014 -28.639 2.285 11 HD11 ILE 426 HD13 ILE 426 0.222 -29.729 0.917 No H/Q in entry = 11 In of MODEL 2 1 H GLY 427 H GLY 427 -5.015 -28.896 -1.220 2 HA3 GLY 427 HA2 GLY 427 -5.184 -31.202 -3.037 3 HA2 GLY 427 HA3 GLY 427 -6.689 -30.446 -2.529 No H/Q in entry = 3 In of MODEL 2 1 H VAL 428 H VAL 428 -6.764 -30.210 -5.007 2 HA VAL 428 HA VAL 428 -5.614 -27.577 -5.623 3 HB VAL 428 HB VAL 428 -5.147 -30.129 -7.133 4 HG13 VAL 428 HG11 VAL 428 -6.165 -28.897 -8.824 5 HG12 VAL 428 HG12 VAL 428 -4.432 -28.677 -9.072 6 HG11 VAL 428 HG13 VAL 428 -5.385 -27.396 -8.320 7 HG22 VAL 428 HG21 VAL 428 -3.328 -29.432 -5.764 8 HG21 VAL 428 HG22 VAL 428 -3.428 -27.775 -6.360 9 HG23 VAL 428 HG23 VAL 428 -2.885 -29.068 -7.431 No H/Q in entry = 9 In of MODEL 2 1 H MET 429 H MET 429 -6.725 -26.433 -7.168 2 HA MET 429 HA MET 429 -9.522 -27.053 -7.577 3 HB2 MET 429 HB2 MET 429 -7.535 -24.998 -8.551 4 HB3 MET 429 HB3 MET 429 -9.111 -25.137 -9.307 5 HG2 MET 429 HG2 MET 429 -8.539 -24.449 -6.417 6 HG3 MET 429 HG3 MET 429 -9.172 -23.371 -7.659 7 HE2 MET 429 HE1 MET 429 -11.546 -25.533 -9.240 8 HE1 MET 429 HE2 MET 429 -11.103 -23.832 -9.118 9 HE3 MET 429 HE3 MET 429 -12.694 -24.358 -8.574 No H/Q in entry = 9 In of MODEL 2 1 H VAL 430 H VAL 430 -10.192 -28.288 -9.362 2 HA VAL 430 HA VAL 430 -8.187 -28.654 -11.513 3 HB VAL 430 HB VAL 430 -10.691 -30.282 -11.024 4 HG11 VAL 430 HG11 VAL 430 -8.659 -30.262 -13.186 5 HG13 VAL 430 HG12 VAL 430 -10.393 -30.581 -13.258 6 HG12 VAL 430 HG13 VAL 430 -9.290 -31.827 -12.670 7 HG23 VAL 430 HG21 VAL 430 -9.139 -32.119 -10.445 8 HG22 VAL 430 HG22 VAL 430 -9.125 -30.782 -9.293 9 HG21 VAL 430 HG23 VAL 430 -7.817 -30.954 -10.464 No H/Q in entry = 9 In of MODEL 2 1 H GLU 431 H GLU 431 -8.617 -26.676 -12.589 2 HA GLU 431 HA GLU 431 -11.382 -26.341 -13.522 3 HB2 GLU 431 HB2 GLU 431 -11.304 -23.990 -12.951 4 HB3 GLU 431 HB3 GLU 431 -11.157 -25.012 -11.538 5 HG2 GLU 431 HG2 GLU 431 -9.528 -23.549 -11.040 6 HG3 GLU 431 HG3 GLU 431 -8.570 -24.615 -12.068 No H/Q in entry = 6 In of MODEL 2 1 H THR 432 H THR 432 -8.528 -26.918 -14.339 2 HA THR 432 HA THR 432 -8.428 -25.339 -16.824 3 HB THR 432 HB THR 432 -6.001 -26.380 -16.516 4 HG1 THR 432 HG1 THR 432 -5.732 -27.283 -14.695 5 HG22 THR 432 HG21 THR 432 -5.602 -24.365 -14.907 6 HG21 THR 432 HG22 THR 432 -7.200 -23.956 -15.534 7 HG23 THR 432 HG23 THR 432 -5.855 -24.230 -16.644 No H/Q in entry = 7 In of MODEL 2 1 HA PRO 433 HA PRO 433 -9.327 -29.363 -18.690 2 HB2 PRO 433 HB2 PRO 433 -7.829 -28.376 -21.056 3 HB3 PRO 433 HB3 PRO 433 -9.521 -28.887 -20.939 4 HG2 PRO 433 HG2 PRO 433 -8.833 -26.350 -21.275 5 HG3 PRO 433 HG3 PRO 433 -10.230 -26.825 -20.279 6 HD2 PRO 433 HD2 PRO 433 -7.481 -25.997 -19.392 7 HD3 PRO 433 HD3 PRO 433 -9.071 -25.581 -18.709 No H/Q in entry = 7 In of MODEL 2 1 H ALA 434 H ALA 434 -6.121 -27.864 -18.687 2 HA ALA 434 HA ALA 434 -4.555 -30.152 -19.229 3 HB2 ALA 434 HB1 ALA 434 -2.809 -29.030 -18.085 4 HB1 ALA 434 HB2 ALA 434 -3.958 -27.959 -17.282 5 HB3 ALA 434 HB3 ALA 434 -3.706 -27.841 -19.026 No H/Q in entry = 5 In of MODEL 2 1 H ALA 435 H ALA 435 -5.494 -28.741 -16.102 2 HA ALA 435 HA ALA 435 -4.567 -30.834 -14.524 3 HB2 ALA 435 HB1 ALA 435 -6.896 -28.966 -14.050 4 HB1 ALA 435 HB2 ALA 435 -5.265 -28.861 -13.388 5 HB3 ALA 435 HB3 ALA 435 -6.353 -30.139 -12.849 No H/Q in entry = 5 In of MODEL 2 1 H ALA 436 H ALA 436 -7.715 -30.456 -16.093 2 HA ALA 436 HA ALA 436 -8.880 -32.718 -14.926 3 HB3 ALA 436 HB1 ALA 436 -10.510 -32.672 -16.703 4 HB1 ALA 436 HB2 ALA 436 -9.466 -31.629 -17.669 5 HB2 ALA 436 HB3 ALA 436 -10.166 -31.028 -16.166 No H/Q in entry = 5 In of MODEL 2 1 H THR 437 H THR 437 -6.963 -32.337 -17.858 2 HA THR 437 HA THR 437 -7.199 -34.943 -18.847 3 HB THR 437 HB THR 437 -4.908 -33.074 -19.235 4 HG1 THR 437 HG1 THR 437 -7.578 -33.093 -19.985 5 HG22 THR 437 HG21 THR 437 -6.127 -35.132 -21.105 6 HG21 THR 437 HG22 THR 437 -4.703 -35.453 -20.115 7 HG23 THR 437 HG23 THR 437 -4.650 -34.202 -21.356 No H/Q in entry = 7 In of MODEL 2 1 H ILE 438 H ILE 438 -4.921 -33.640 -16.548 2 HA ILE 438 HA ILE 438 -3.523 -36.215 -16.462 3 HB ILE 438 HB ILE 438 -2.569 -33.471 -15.603 4 HG12 ILE 438 HG12 ILE 438 -2.464 -33.501 -17.943 5 HG13 ILE 438 HG13 ILE 438 -0.842 -33.925 -17.435 6 HG23 ILE 438 HG21 ILE 438 -1.337 -34.706 -14.138 7 HG22 ILE 438 HG22 ILE 438 -0.321 -34.961 -15.557 8 HG21 ILE 438 HG23 ILE 438 -1.496 -36.189 -15.081 9 HD11 ILE 438 HD11 ILE 438 -1.577 -36.361 -17.750 10 HD13 ILE 438 HD12 ILE 438 -1.326 -35.387 -19.201 11 HD12 ILE 438 HD13 ILE 438 -2.962 -35.694 -18.616 No H/Q in entry = 11 In of MODEL 2 1 H ALA 439 H ALA 439 -6.089 -35.239 -15.231 2 HA ALA 439 HA ALA 439 -5.925 -34.882 -12.522 3 HB3 ALA 439 HB1 ALA 439 -8.074 -35.892 -12.333 4 HB2 ALA 439 HB2 ALA 439 -7.864 -36.737 -13.866 5 HB1 ALA 439 HB3 ALA 439 -8.012 -34.979 -13.840 No H/Q in entry = 5 In of MODEL 2 1 H ARG 440 H ARG 440 -5.385 -38.010 -14.255 2 HA ARG 440 HA ARG 440 -5.454 -39.522 -11.862 3 HB2 ARG 440 HB2 ARG 440 -3.878 -40.157 -14.350 4 HB3 ARG 440 HB3 ARG 440 -4.058 -41.236 -12.981 5 HG2 ARG 440 HG2 ARG 440 -6.561 -40.211 -14.184 6 HG3 ARG 440 HG3 ARG 440 -5.618 -41.294 -15.183 7 HD2 ARG 440 HD2 ARG 440 -5.691 -42.877 -13.031 8 HD3 ARG 440 HD3 ARG 440 -7.072 -41.887 -12.586 9 HE ARG 440 HE ARG 440 -8.268 -43.199 -14.037 10 HH21 ARG 440 HH11 ARG 440 -8.734 -44.488 -15.908 11 HH22 ARG 440 HH12 ARG 440 -7.485 -44.771 -17.074 12 HH11 ARG 440 HH21 ARG 440 -5.024 -42.952 -15.413 13 HH12 ARG 440 HH22 ARG 440 -5.417 -43.915 -16.798 No H/Q in entry = 13 In of MODEL 2 1 H HIS 441 H HIS 441 -2.701 -38.245 -13.689 2 HA HIS 441 HA HIS 441 -0.695 -38.810 -11.864 3 HB2 HIS 441 HB2 HIS 441 -1.011 -36.555 -13.776 4 HB3 HIS 441 HB3 HIS 441 0.389 -36.685 -12.727 5 HD1 HIS 441 HD1 HIS 441 1.186 -39.505 -12.844 6 HD2 HIS 441 HD2 HIS 441 -0.297 -37.531 -16.188 7 HE1 HIS 441 HE1 HIS 441 2.030 -40.820 -14.829 8 HE2 HIS 441 HE2 HIS 441 1.133 -39.589 -16.846 No H/Q in entry = 8 In of MODEL 2 1 H LEU 442 H LEU 442 -2.854 -35.986 -11.827 2 HA LEU 442 HA LEU 442 -1.381 -34.709 -9.747 3 HB2 LEU 442 HB2 LEU 442 -4.188 -34.258 -10.657 4 HB3 LEU 442 HB3 LEU 442 -3.386 -33.290 -9.463 5 HG LEU 442 HG LEU 442 -2.746 -33.458 -12.400 6 HD12 LEU 442 HD11 LEU 442 -3.474 -31.003 -12.337 7 HD11 LEU 442 HD12 LEU 442 -4.157 -31.347 -10.748 8 HD13 LEU 442 HD13 LEU 442 -4.755 -32.206 -12.167 9 HD22 LEU 442 HD21 LEU 442 -0.861 -32.342 -12.127 10 HD21 LEU 442 HD22 LEU 442 -0.973 -32.773 -10.420 11 HD23 LEU 442 HD23 LEU 442 -1.594 -31.220 -10.982 No H/Q in entry = 11 In of MODEL 2 1 H ALA 443 H ALA 443 -4.122 -36.870 -9.781 2 HA ALA 443 HA ALA 443 -5.005 -36.574 -7.158 3 HB1 ALA 443 HB1 ALA 443 -5.119 -39.120 -8.740 4 HB2 ALA 443 HB2 ALA 443 -6.226 -37.759 -8.931 5 HB3 ALA 443 HB3 ALA 443 -6.164 -38.639 -7.403 No H/Q in entry = 5 In of MODEL 2 1 H LYS 444 H LYS 444 -2.206 -38.385 -8.222 2 HA LYS 444 HA LYS 444 -1.755 -39.851 -5.770 3 HB2 LYS 444 HB2 LYS 444 0.307 -38.937 -7.788 4 HB3 LYS 444 HB3 LYS 444 0.548 -40.123 -6.526 5 HG2 LYS 444 HG2 LYS 444 -0.758 -41.724 -7.645 6 HG3 LYS 444 HG3 LYS 444 -1.452 -40.517 -8.729 7 HD2 LYS 444 HD2 LYS 444 0.990 -40.091 -9.484 8 HD3 LYS 444 HD3 LYS 444 1.353 -41.626 -8.708 9 HE2 LYS 444 HE2 LYS 444 -0.248 -42.770 -10.169 10 HE3 LYS 444 HE3 LYS 444 -0.692 -41.234 -10.912 11 HZ1 LYS 444 HZ1 LYS 444 2.134 -41.653 -10.945 12 HZ3 LYS 444 HZ2 LYS 444 1.081 -41.311 -12.234 13 HZ2 LYS 444 HZ3 LYS 444 1.316 -42.916 -11.728 No H/Q in entry = 13 In of MODEL 2 1 H GLU 445 H GLU 445 -1.289 -36.633 -6.871 2 HA GLU 445 HA GLU 445 0.827 -36.232 -4.922 3 HB2 GLU 445 HB2 GLU 445 -0.093 -34.408 -7.145 4 HB3 GLU 445 HB3 GLU 445 1.362 -34.220 -6.179 5 HG2 GLU 445 HG2 GLU 445 1.127 -36.844 -7.505 6 HG3 GLU 445 HG3 GLU 445 1.230 -35.489 -8.618 No H/Q in entry = 6 In of MODEL 2 1 H VAL 446 H VAL 446 -2.488 -35.657 -5.012 2 HA VAL 446 HA VAL 446 -2.206 -33.618 -2.900 3 HB VAL 446 HB VAL 446 -4.228 -32.556 -3.717 4 HG12 VAL 446 HG11 VAL 446 -3.254 -31.775 -5.969 5 HG11 VAL 446 HG12 VAL 446 -1.907 -32.852 -5.600 6 HG13 VAL 446 HG13 VAL 446 -2.290 -31.514 -4.516 7 HG21 VAL 446 HG21 VAL 446 -4.013 -34.618 -5.901 8 HG23 VAL 446 HG22 VAL 446 -5.086 -33.218 -5.953 9 HG22 VAL 446 HG23 VAL 446 -5.305 -34.454 -4.713 No H/Q in entry = 9 In of MODEL 2 1 H ASP 447 H ASP 447 -4.253 -33.459 -1.589 2 HA ASP 447 HA ASP 447 -5.192 -36.150 -0.949 3 HB2 ASP 447 HB2 ASP 447 -5.804 -33.562 0.460 4 HB3 ASP 447 HB3 ASP 447 -6.208 -35.177 1.023 No H/Q in entry = 4 In of MODEL 2 1 H PHE 448 H PHE 448 -6.318 -33.444 -2.684 2 HA PHE 448 HA PHE 448 -8.760 -34.807 -3.244 3 HB2 PHE 448 HB2 PHE 448 -10.332 -33.387 -2.141 4 HB3 PHE 448 HB3 PHE 448 -9.220 -34.034 -0.951 5 HD1 PHE 448 HD1 PHE 448 -10.234 -31.032 -2.844 6 HD2 PHE 448 HD2 PHE 448 -7.760 -32.617 0.263 7 HE1 PHE 448 HE1 PHE 448 -9.811 -28.729 -2.081 8 HE2 PHE 448 HE2 PHE 448 -7.305 -30.307 1.051 9 HZ PHE 448 HZ PHE 448 -8.339 -28.343 -0.111 No H/Q in entry = 9 In of MODEL 2 1 H PHE 449 H PHE 449 -10.381 -33.272 -4.329 2 HA PHE 449 HA PHE 449 -9.007 -31.239 -6.024 3 HB2 PHE 449 HB2 PHE 449 -10.878 -33.495 -6.852 4 HB3 PHE 449 HB3 PHE 449 -10.539 -32.110 -7.866 5 HD1 PHE 449 HD1 PHE 449 -10.010 -35.317 -8.123 6 HD2 PHE 449 HD2 PHE 449 -7.597 -31.847 -7.377 7 HE1 PHE 449 HE1 PHE 449 -8.042 -36.512 -8.986 8 HE2 PHE 449 HE2 PHE 449 -5.593 -33.050 -8.235 9 HZ PHE 449 HZ PHE 449 -5.822 -35.400 -9.049 No H/Q in entry = 9 In of MODEL 2 1 H SER 450 H SER 450 -10.389 -29.618 -6.536 2 HA SER 450 HA SER 450 -13.231 -30.020 -6.091 3 HB2 SER 450 HB2 SER 450 -13.524 -27.735 -5.408 4 HB3 SER 450 HB3 SER 450 -12.367 -28.501 -4.313 5 HG SER 450 HG SER 450 -11.198 -27.501 -6.554 No H/Q in entry = 5 In of MODEL 2 1 H ILE 451 H ILE 451 -14.189 -29.780 -8.057 2 HA ILE 451 HA ILE 451 -12.569 -28.808 -10.256 3 HB ILE 451 HB ILE 451 -15.243 -30.105 -10.037 4 HG12 ILE 451 HG12 ILE 451 -12.787 -31.062 -10.499 5 HG13 ILE 451 HG13 ILE 451 -14.249 -31.816 -11.110 6 HG23 ILE 451 HG21 ILE 451 -15.901 -28.367 -11.470 7 HG22 ILE 451 HG22 ILE 451 -15.472 -29.680 -12.566 8 HG21 ILE 451 HG23 ILE 451 -14.349 -28.345 -12.308 9 HD11 ILE 451 HD11 ILE 451 -12.804 -29.748 -12.681 10 HD13 ILE 451 HD12 ILE 451 -13.922 -30.997 -13.235 11 HD12 ILE 451 HD13 ILE 451 -12.299 -31.437 -12.695 No H/Q in entry = 11 In of MODEL 2 1 H GLY 452 H GLY 452 -12.479 -26.762 -10.915 2 HA3 GLY 452 HA2 GLY 452 -14.643 -24.932 -10.125 3 HA2 GLY 452 HA3 GLY 452 -13.078 -24.457 -10.800 No H/Q in entry = 3 In of MODEL 2 1 H THR 453 H THR 453 -16.310 -25.470 -11.537 2 HA THR 453 HA THR 453 -15.802 -26.059 -14.270 3 HB THR 453 HB THR 453 -18.514 -25.299 -13.269 4 HG1 THR 453 HG1 THR 453 -18.367 -27.742 -12.723 5 HG23 THR 453 HG21 THR 453 -19.279 -26.724 -14.936 6 HG22 THR 453 HG22 THR 453 -17.824 -27.723 -14.895 7 HG21 THR 453 HG23 THR 453 -17.787 -26.142 -15.675 No H/Q in entry = 7 In of MODEL 2 1 H ASN 454 H ASN 454 -16.319 -23.055 -12.609 2 HA ASN 454 HA ASN 454 -17.446 -21.619 -14.805 3 HB2 ASN 454 HB2 ASN 454 -17.192 -20.833 -12.377 4 HB3 ASN 454 HB3 ASN 454 -15.542 -20.426 -12.815 5 HD21 ASN 454 HD21 ASN 454 -17.991 -18.866 -12.061 6 HD22 ASN 454 HD22 ASN 454 -18.129 -17.670 -13.256 No H/Q in entry = 6 In of MODEL 2 1 H ASP 455 H ASP 455 -14.126 -22.024 -13.618 2 HA ASP 455 HA ASP 455 -13.029 -20.850 -15.946 3 HB2 ASP 455 HB2 ASP 455 -11.219 -22.579 -14.530 4 HB3 ASP 455 HB3 ASP 455 -11.138 -20.851 -14.858 No H/Q in entry = 4 In of MODEL 2 1 H LEU 456 H LEU 456 -13.195 -24.290 -14.934 2 HA LEU 456 HA LEU 456 -12.013 -25.438 -17.131 3 HB2 LEU 456 HB2 LEU 456 -12.941 -26.458 -15.009 4 HB3 LEU 456 HB3 LEU 456 -14.484 -26.506 -15.836 5 HG LEU 456 HG LEU 456 -13.074 -28.604 -15.823 6 HD13 LEU 456 HD11 LEU 456 -14.979 -28.527 -17.326 7 HD12 LEU 456 HD12 LEU 456 -13.623 -29.250 -18.187 8 HD11 LEU 456 HD13 LEU 456 -14.073 -27.575 -18.505 9 HD21 LEU 456 HD21 LEU 456 -10.963 -27.217 -16.413 10 HD23 LEU 456 HD22 LEU 456 -11.515 -27.360 -18.083 11 HD22 LEU 456 HD23 LEU 456 -11.148 -28.810 -17.148 No H/Q in entry = 11 In of MODEL 2 1 H THR 457 H THR 457 -15.406 -24.371 -16.872 2 HA THR 457 HA THR 457 -16.155 -25.329 -19.403 3 HB THR 457 HB THR 457 -17.645 -24.453 -17.518 4 HG1 THR 457 HG1 THR 457 -18.960 -23.352 -19.338 5 HG22 THR 457 HG21 THR 457 -17.184 -21.808 -18.890 6 HG21 THR 457 HG22 THR 457 -16.387 -22.245 -17.377 7 HG23 THR 457 HG23 THR 457 -18.147 -22.132 -17.447 No H/Q in entry = 7 In of MODEL 2 1 H GLN 458 H GLN 458 -14.987 -22.207 -18.258 2 HA GLN 458 HA GLN 458 -14.976 -20.744 -20.538 3 HB2 GLN 458 HB2 GLN 458 -14.478 -19.775 -18.417 4 HB3 GLN 458 HB3 GLN 458 -13.011 -20.719 -18.271 5 HG2 GLN 458 HG2 GLN 458 -12.007 -19.494 -20.098 6 HG3 GLN 458 HG3 GLN 458 -13.503 -18.604 -20.354 7 HE21 GLN 458 HE21 GLN 458 -13.273 -19.083 -17.078 8 HE22 GLN 458 HE22 GLN 458 -12.507 -17.636 -16.627 No H/Q in entry = 8 In of MODEL 2 1 H TYR 459 H TYR 459 -12.244 -22.793 -19.400 2 HA TYR 459 HA TYR 459 -10.797 -22.127 -21.805 3 HB2 TYR 459 HB2 TYR 459 -10.051 -24.313 -19.896 4 HB3 TYR 459 HB3 TYR 459 -9.010 -23.444 -21.019 5 HD1 TYR 459 HD1 TYR 459 -9.874 -23.695 -17.678 6 HD2 TYR 459 HD2 TYR 459 -9.295 -20.790 -20.738 7 HE1 TYR 459 HE1 TYR 459 -9.506 -21.979 -15.991 8 HE2 TYR 459 HE2 TYR 459 -8.902 -19.108 -19.054 9 HH TYR 459 HH TYR 459 -9.469 -19.659 -15.736 No H/Q in entry = 9 In of MODEL 2 1 H THR 460 H THR 460 -12.794 -24.790 -20.809 2 HA THR 460 HA THR 460 -11.691 -26.559 -22.758 3 HB THR 460 HB THR 460 -14.436 -26.620 -21.509 4 HG1 THR 460 HG1 THR 460 -12.410 -28.151 -20.438 5 HG22 THR 460 HG21 THR 460 -12.765 -28.973 -22.268 6 HG21 THR 460 HG22 THR 460 -13.729 -28.133 -23.482 7 HG23 THR 460 HG23 THR 460 -14.513 -28.859 -22.078 No H/Q in entry = 7 In of MODEL 2 1 H LEU 461 H LEU 461 -14.440 -24.315 -22.573 2 HA LEU 461 HA LEU 461 -15.050 -24.804 -25.379 3 HB2 LEU 461 HB2 LEU 461 -16.474 -23.256 -23.252 4 HB3 LEU 461 HB3 LEU 461 -16.908 -23.130 -24.931 5 HG LEU 461 HG LEU 461 -18.369 -24.591 -23.502 6 HD12 LEU 461 HD11 LEU 461 -17.013 -25.995 -25.779 7 HD11 LEU 461 HD12 LEU 461 -18.271 -24.771 -25.946 8 HD13 LEU 461 HD13 LEU 461 -18.631 -26.307 -25.155 9 HD23 LEU 461 HD21 LEU 461 -17.581 -26.886 -23.167 10 HD22 LEU 461 HD22 LEU 461 -16.746 -25.691 -22.174 11 HD21 LEU 461 HD23 LEU 461 -15.961 -26.352 -23.610 No H/Q in entry = 11 In of MODEL 2 1 H ALA 462 H ALA 462 -12.915 -22.817 -23.779 2 HA ALA 462 HA ALA 462 -12.051 -20.715 -24.229 3 HB2 ALA 462 HB1 ALA 462 -12.671 -21.549 -27.059 4 HB1 ALA 462 HB2 ALA 462 -11.147 -21.756 -26.195 5 HB3 ALA 462 HB3 ALA 462 -11.707 -20.139 -26.620 No H/Q in entry = 5 In of MODEL 2 1 H VAL 463 H VAL 463 -14.549 -20.512 -23.291 2 HA VAL 463 HA VAL 463 -15.235 -18.085 -24.690 3 HB VAL 463 HB VAL 463 -17.003 -19.372 -25.453 4 HG11 VAL 463 HG11 VAL 463 -16.700 -21.123 -23.722 5 HG13 VAL 463 HG12 VAL 463 -18.344 -20.815 -24.287 6 HG12 VAL 463 HG13 VAL 463 -17.813 -20.192 -22.723 7 HG21 VAL 463 HG21 VAL 463 -17.562 -17.116 -24.527 8 HG23 VAL 463 HG22 VAL 463 -18.280 -17.967 -23.157 9 HG22 VAL 463 HG23 VAL 463 -18.903 -18.230 -24.789 No H/Q in entry = 9 In of MODEL 2 1 H ASP 464 H ASP 464 -15.179 -16.402 -23.699 2 HA ASP 464 HA ASP 464 -14.092 -16.267 -21.122 3 HB2 ASP 464 HB2 ASP 464 -14.946 -13.741 -21.687 4 HB3 ASP 464 HB3 ASP 464 -13.431 -14.430 -22.245 No H/Q in entry = 4 In of MODEL 2 1 H ARG 465 H ARG 465 -15.083 -16.317 -19.269 2 HA ARG 465 HA ARG 465 -17.798 -16.719 -18.826 3 HB2 ARG 465 HB2 ARG 465 -16.097 -17.335 -17.240 4 HB3 ARG 465 HB3 ARG 465 -15.663 -15.651 -17.007 5 HG2 ARG 465 HG2 ARG 465 -17.033 -16.450 -15.166 6 HG3 ARG 465 HG3 ARG 465 -17.904 -15.221 -16.087 7 HD2 ARG 465 HD2 ARG 465 -19.265 -16.779 -17.128 8 HD3 ARG 465 HD3 ARG 465 -18.170 -18.102 -16.800 9 HE ARG 465 HE ARG 465 -19.265 -18.442 -14.795 10 HH21 ARG 465 HH11 ARG 465 -20.893 -18.012 -13.206 11 HH22 ARG 465 HH12 ARG 465 -21.767 -16.518 -13.289 12 HH11 ARG 465 HH21 ARG 465 -19.999 -15.305 -16.063 13 HH12 ARG 465 HH22 ARG 465 -21.255 -14.974 -14.917 No H/Q in entry = 13 In of MODEL 2 1 H GLY 466 H GLY 466 -16.028 -13.820 -19.308 2 HA3 GLY 466 HA2 GLY 466 -18.002 -12.078 -18.082 3 HA2 GLY 466 HA3 GLY 466 -16.484 -11.593 -18.819 No H/Q in entry = 3 In of MODEL 2 1 H ASN 467 H ASN 467 -17.457 -13.360 -21.224 2 HA ASN 467 HA ASN 467 -18.289 -10.975 -22.613 3 HB2 ASN 467 HB2 ASN 467 -17.353 -11.960 -24.453 4 HB3 ASN 467 HB3 ASN 467 -16.453 -12.713 -23.150 5 HD21 ASN 467 HD21 ASN 467 -17.240 -13.471 -25.985 6 HD22 ASN 467 HD22 ASN 467 -17.857 -15.047 -25.852 No H/Q in entry = 6 In of MODEL 2 1 H ASP 468 H ASP 468 -20.457 -10.550 -22.471 2 HA ASP 468 HA ASP 468 -22.456 -12.536 -22.489 3 HB2 ASP 468 HB2 ASP 468 -22.826 -9.620 -23.119 4 HB3 ASP 468 HB3 ASP 468 -24.097 -10.769 -22.729 No H/Q in entry = 4 In of MODEL 2 1 HA MET 469 HA MET 469 -22.890 -11.246 -27.095 2 HB2 MET 469 HB2 MET 469 -19.904 -11.228 -27.415 3 HG2 MET 469 HG2 MET 469 -20.705 -9.220 -26.327 4 HE1 MET 469 HE1 MET 469 -21.565 -8.669 -30.136 5 HE3 MET 469 HE2 MET 469 -22.038 -7.023 -29.736 6 HE2 MET 469 HE3 MET 469 -23.259 -8.160 -30.292 7 H MET 469 HN MET 469 -21.026 -10.740 -25.120 8 HB3 MET 469 HB1 MET 469 -21.095 -11.034 -28.698 9 HG3 MET 469 HG1 MET 469 -20.244 -8.876 -27.987 No H/Q in entry = 9 In of MODEL 2 1 H ILE 470 H ILE 470 -20.431 -13.502 -25.857 2 HA ILE 470 HA ILE 470 -21.692 -15.497 -27.596 3 HB ILE 470 HB ILE 470 -19.064 -16.038 -26.294 4 HG12 ILE 470 HG12 ILE 470 -18.770 -13.949 -27.459 5 HG13 ILE 470 HG13 ILE 470 -17.929 -15.244 -28.284 6 HG21 ILE 470 HG21 ILE 470 -20.821 -17.574 -27.709 7 HG23 ILE 470 HG22 ILE 470 -19.105 -17.915 -27.489 8 HG22 ILE 470 HG23 ILE 470 -19.661 -17.092 -28.947 9 HD11 ILE 470 HD11 ILE 470 -20.486 -15.053 -29.430 10 HD13 ILE 470 HD12 ILE 470 -18.926 -14.643 -30.147 11 HD12 ILE 470 HD13 ILE 470 -19.851 -13.416 -29.279 No H/Q in entry = 11 In of MODEL 2 1 H SER 471 H SER 471 -22.437 -14.545 -24.742 2 HA SER 471 HA SER 471 -21.750 -16.554 -22.991 3 HB2 SER 471 HB2 SER 471 -24.135 -14.781 -23.121 4 HB3 SER 471 HB3 SER 471 -24.117 -16.106 -21.965 5 HG SER 471 HG SER 471 -22.211 -15.286 -21.144 No H/Q in entry = 5 In of MODEL 2 1 H HIS 472 H HIS 472 -24.103 -16.766 -25.585 2 HA HIS 472 HA HIS 472 -25.582 -18.905 -24.591 3 HB2 HIS 472 HB2 HIS 472 -25.069 -18.149 -27.465 4 HB3 HIS 472 HB3 HIS 472 -26.283 -19.297 -26.937 5 HD1 HIS 472 HD1 HIS 472 -28.220 -18.244 -25.364 6 HD2 HIS 472 HD2 HIS 472 -25.880 -15.520 -27.476 7 HE1 HIS 472 HE1 HIS 472 -29.488 -16.056 -25.303 8 HE2 HIS 472 HE2 HIS 472 -28.062 -14.433 -26.614 No H/Q in entry = 8 In of MODEL 2 1 H LEU 473 H LEU 473 -22.420 -18.846 -25.804 2 HA LEU 473 HA LEU 473 -22.267 -21.712 -26.385 3 HB2 LEU 473 HB2 LEU 473 -20.432 -19.395 -26.724 4 HB3 LEU 473 HB3 LEU 473 -19.755 -21.000 -26.608 5 HG LEU 473 HG LEU 473 -21.216 -21.633 -28.542 6 HD12 LEU 473 HD11 LEU 473 -21.455 -18.878 -29.475 7 HD11 LEU 473 HD12 LEU 473 -22.461 -19.233 -28.070 8 HD13 LEU 473 HD13 LEU 473 -22.617 -20.203 -29.536 9 HD22 LEU 473 HD21 LEU 473 -19.643 -20.865 -30.118 10 HD21 LEU 473 HD22 LEU 473 -18.771 -21.003 -28.591 11 HD23 LEU 473 HD23 LEU 473 -19.287 -19.418 -29.173 No H/Q in entry = 11 In of MODEL 2 1 H TYR 474 H TYR 474 -22.090 -19.818 -23.617 2 HA TYR 474 HA TYR 474 -19.839 -21.288 -22.506 3 HB2 TYR 474 HB2 TYR 474 -19.729 -19.551 -21.114 4 HB3 TYR 474 HB3 TYR 474 -21.121 -18.840 -21.913 5 HD1 TYR 474 HD1 TYR 474 -20.119 -21.102 -19.145 6 HD2 TYR 474 HD2 TYR 474 -23.225 -18.741 -20.825 7 HE1 TYR 474 HE1 TYR 474 -21.455 -21.406 -17.109 8 HE2 TYR 474 HE2 TYR 474 -24.545 -19.030 -18.802 9 HH TYR 474 HH TYR 474 -24.775 -20.201 -16.913 No H/Q in entry = 9 In of MODEL 2 1 H GLN 475 H GLN 475 -20.455 -23.423 -22.356 2 HA GLN 475 HA GLN 475 -22.946 -23.927 -20.842 3 HB2 GLN 475 HB2 GLN 475 -21.892 -25.629 -23.075 4 HB3 GLN 475 HB3 GLN 475 -23.397 -25.842 -22.190 5 HG2 GLN 475 HG2 GLN 475 -24.160 -23.683 -23.024 6 HG3 GLN 475 HG3 GLN 475 -22.671 -23.522 -23.935 7 HE21 GLN 475 HE21 GLN 475 -25.833 -24.704 -23.868 8 HE22 GLN 475 HE22 GLN 475 -25.857 -25.556 -25.336 No H/Q in entry = 8 In of MODEL 2 1 HA PRO 476 HA PRO 476 -19.785 -26.229 -18.722 2 HB2 PRO 476 HB2 PRO 476 -21.739 -26.155 -16.501 3 HB3 PRO 476 HB3 PRO 476 -20.044 -25.625 -16.512 4 HG2 PRO 476 HG2 PRO 476 -21.999 -23.813 -16.369 5 HG3 PRO 476 HG3 PRO 476 -20.569 -23.506 -17.375 6 HD2 PRO 476 HD2 PRO 476 -23.271 -24.519 -18.236 7 HD3 PRO 476 HD3 PRO 476 -22.280 -23.206 -18.928 No H/Q in entry = 7 In of MODEL 2 1 H MET 477 H MET 477 -23.087 -26.589 -19.567 2 HA MET 477 HA MET 477 -23.027 -29.400 -18.790 3 HB2 MET 477 HB2 MET 477 -25.461 -29.355 -19.288 4 HB3 MET 477 HB3 MET 477 -24.947 -28.348 -17.932 5 HG2 MET 477 HG2 MET 477 -24.871 -26.415 -19.409 6 HG3 MET 477 HG3 MET 477 -25.401 -27.417 -20.748 7 HE2 MET 477 HE1 MET 477 -26.850 -24.943 -17.748 8 HE1 MET 477 HE2 MET 477 -25.884 -26.322 -17.227 9 HE3 MET 477 HE3 MET 477 -27.600 -26.260 -16.831 No H/Q in entry = 9 In of MODEL 2 1 H SER 478 H SER 478 -21.363 -29.067 -20.542 2 HA SER 478 HA SER 478 -22.535 -29.760 -23.151 3 HB2 SER 478 HB2 SER 478 -20.889 -28.174 -23.561 4 HB3 SER 478 HB3 SER 478 -19.903 -28.710 -22.197 5 HG SER 478 HG SER 478 -19.942 -29.541 -24.749 No H/Q in entry = 5 In of MODEL 2 1 HA PRO 479 HA PRO 479 -21.255 -33.961 -22.472 2 HB2 PRO 479 HB2 PRO 479 -20.205 -33.784 -25.245 3 HB3 PRO 479 HB3 PRO 479 -21.338 -34.950 -24.546 4 HG2 PRO 479 HG2 PRO 479 -22.041 -33.018 -26.233 5 HG3 PRO 479 HG3 PRO 479 -23.111 -33.701 -25.007 6 HD2 PRO 479 HD2 PRO 479 -21.843 -30.996 -25.054 7 HD3 PRO 479 HD3 PRO 479 -23.272 -31.565 -24.154 No H/Q in entry = 7 In of MODEL 2 1 H SER 480 H SER 480 -19.243 -31.381 -23.847 2 HA SER 480 HA SER 480 -16.791 -32.813 -23.470 3 HB2 SER 480 HB2 SER 480 -15.947 -31.242 -24.744 4 HB3 SER 480 HB3 SER 480 -17.544 -30.515 -24.819 5 HG SER 480 HG SER 480 -16.956 -29.359 -22.901 No H/Q in entry = 5 In of MODEL 2 1 H VAL 481 H VAL 481 -18.449 -30.352 -21.478 2 HA VAL 481 HA VAL 481 -16.182 -30.321 -19.719 3 HB VAL 481 HB VAL 481 -17.670 -28.884 -18.257 4 HG12 VAL 481 HG11 VAL 481 -17.731 -27.007 -19.883 5 HG11 VAL 481 HG12 VAL 481 -17.250 -28.152 -21.136 6 HG13 VAL 481 HG13 VAL 481 -16.176 -27.827 -19.775 7 HG23 VAL 481 HG21 VAL 481 -19.629 -28.023 -19.891 8 HG22 VAL 481 HG22 VAL 481 -19.866 -29.282 -18.677 9 HG21 VAL 481 HG23 VAL 481 -19.572 -29.723 -20.360 No H/Q in entry = 9 In of MODEL 2 1 H LEU 482 H LEU 482 -19.335 -31.899 -19.804 2 HA LEU 482 HA LEU 482 -19.258 -32.934 -17.180 3 HB2 LEU 482 HB2 LEU 482 -20.647 -34.089 -19.603 4 HB3 LEU 482 HB3 LEU 482 -20.900 -34.623 -17.940 5 HG LEU 482 HG LEU 482 -21.315 -31.829 -18.982 6 HD12 LEU 482 HD11 LEU 482 -23.602 -33.427 -18.010 7 HD11 LEU 482 HD12 LEU 482 -22.960 -33.753 -19.619 8 HD13 LEU 482 HD13 LEU 482 -23.532 -32.135 -19.209 9 HD22 LEU 482 HD21 LEU 482 -20.899 -31.359 -16.810 10 HD21 LEU 482 HD22 LEU 482 -21.427 -32.944 -16.240 11 HD23 LEU 482 HD23 LEU 482 -22.621 -31.721 -16.682 No H/Q in entry = 11 In of MODEL 2 1 H ASN 483 H ASN 483 -18.229 -34.412 -20.241 2 HA ASN 483 HA ASN 483 -17.264 -36.747 -19.120 3 HB2 ASN 483 HB2 ASN 483 -16.596 -35.264 -21.578 4 HB3 ASN 483 HB3 ASN 483 -15.632 -36.660 -21.100 5 HD21 ASN 483 HD21 ASN 483 -18.705 -35.491 -22.142 6 HD22 ASN 483 HD22 ASN 483 -19.414 -37.004 -22.437 No H/Q in entry = 6 In of MODEL 2 1 H LEU 484 H LEU 484 -15.493 -33.711 -19.452 2 HA LEU 484 HA LEU 484 -13.097 -34.620 -18.296 3 HB2 LEU 484 HB2 LEU 484 -14.281 -31.998 -18.887 4 HB3 LEU 484 HB3 LEU 484 -13.084 -32.033 -17.625 5 HG LEU 484 HG LEU 484 -11.444 -32.923 -19.256 6 HD13 LEU 484 HD11 LEU 484 -11.953 -33.369 -21.457 7 HD12 LEU 484 HD12 LEU 484 -13.311 -32.245 -21.486 8 HD11 LEU 484 HD13 LEU 484 -13.480 -33.810 -20.695 9 HD21 LEU 484 HD21 LEU 484 -11.682 -30.484 -18.830 10 HD23 LEU 484 HD22 LEU 484 -12.815 -30.383 -20.177 11 HD22 LEU 484 HD23 LEU 484 -11.135 -30.834 -20.469 No H/Q in entry = 11 In of MODEL 2 1 H ILE 485 H ILE 485 -16.038 -33.258 -16.856 2 HA ILE 485 HA ILE 485 -15.094 -33.135 -14.175 3 HB ILE 485 HB ILE 485 -17.528 -32.684 -15.442 4 HG12 ILE 485 HG12 ILE 485 -16.432 -31.340 -13.700 5 HG13 ILE 485 HG13 ILE 485 -18.126 -31.643 -13.344 6 HG21 ILE 485 HG21 ILE 485 -18.225 -35.009 -14.974 7 HG23 ILE 485 HG22 ILE 485 -19.188 -33.851 -14.056 8 HG22 ILE 485 HG23 ILE 485 -17.903 -34.758 -13.256 9 HD11 ILE 485 HD11 ILE 485 -16.576 -33.729 -12.268 10 HD13 ILE 485 HD12 ILE 485 -17.573 -32.533 -11.439 11 HD12 ILE 485 HD13 ILE 485 -15.878 -32.187 -11.785 No H/Q in entry = 11 In of MODEL 2 1 H LYS 486 H LYS 486 -16.707 -35.778 -15.916 2 HA LYS 486 HA LYS 486 -16.812 -37.616 -13.824 3 HB2 LYS 486 HB2 LYS 486 -17.890 -37.853 -16.144 4 HB3 LYS 486 HB3 LYS 486 -16.313 -38.385 -16.712 5 HG2 LYS 486 HG2 LYS 486 -16.541 -40.063 -14.617 6 HG3 LYS 486 HG3 LYS 486 -18.256 -39.793 -14.902 7 HD2 LYS 486 HD2 LYS 486 -17.970 -40.513 -17.278 8 HD3 LYS 486 HD3 LYS 486 -16.260 -40.787 -16.989 9 HE2 LYS 486 HE2 LYS 486 -18.384 -42.663 -16.667 10 HE3 LYS 486 HE3 LYS 486 -16.691 -42.904 -16.275 11 HZ2 LYS 486 HZ1 LYS 486 -18.763 -43.002 -14.491 12 HZ1 LYS 486 HZ2 LYS 486 -18.132 -41.448 -14.224 13 HZ3 LYS 486 HZ3 LYS 486 -17.129 -42.810 -14.074 No H/Q in entry = 13 In of MODEL 2 1 H GLN 487 H GLN 487 -14.340 -36.811 -16.110 2 HA GLN 487 HA GLN 487 -12.836 -39.130 -15.665 3 HB2 GLN 487 HB2 GLN 487 -12.517 -38.127 -17.736 4 HB3 GLN 487 HB3 GLN 487 -12.463 -36.514 -17.068 5 HG2 GLN 487 HG2 GLN 487 -10.222 -36.960 -16.218 6 HG3 GLN 487 HG3 GLN 487 -10.292 -38.579 -16.902 7 HE21 GLN 487 HE21 GLN 487 -11.417 -38.183 -19.338 8 HE22 GLN 487 HE22 GLN 487 -10.436 -37.195 -20.308 No H/Q in entry = 8 In of MODEL 2 1 H VAL 488 H VAL 488 -12.930 -35.932 -14.276 2 HA VAL 488 HA VAL 488 -10.541 -36.114 -12.724 3 HB VAL 488 HB VAL 488 -12.919 -34.267 -12.410 4 HG11 VAL 488 HG11 VAL 488 -10.195 -34.185 -11.124 5 HG13 VAL 488 HG12 VAL 488 -11.763 -34.307 -10.325 6 HG12 VAL 488 HG13 VAL 488 -11.310 -32.819 -11.156 7 HG21 VAL 488 HG21 VAL 488 -11.629 -34.204 -14.532 8 HG23 VAL 488 HG22 VAL 488 -10.245 -33.674 -13.575 9 HG22 VAL 488 HG23 VAL 488 -11.712 -32.694 -13.628 No H/Q in entry = 9 In of MODEL 2 1 H ILE 489 H ILE 489 -13.994 -36.456 -11.953 2 HA ILE 489 HA ILE 489 -13.782 -36.977 -9.227 3 HB ILE 489 HB ILE 489 -15.685 -38.110 -11.251 4 HG12 ILE 489 HG12 ILE 489 -15.928 -35.821 -9.297 5 HG13 ILE 489 HG13 ILE 489 -15.746 -35.676 -11.035 6 HG23 ILE 489 HG21 ILE 489 -15.763 -39.596 -9.410 7 HG22 ILE 489 HG22 ILE 489 -17.132 -38.503 -9.204 8 HG21 ILE 489 HG23 ILE 489 -15.670 -38.277 -8.243 9 HD12 ILE 489 HD11 ILE 489 -18.148 -36.407 -9.427 10 HD11 ILE 489 HD12 ILE 489 -17.962 -37.190 -10.996 11 HD13 ILE 489 HD13 ILE 489 -18.026 -35.431 -10.891 No H/Q in entry = 11 In of MODEL 2 1 H ASP 490 H ASP 490 -13.788 -39.223 -11.983 2 HA ASP 490 HA ASP 490 -13.376 -41.557 -10.561 3 HB2 ASP 490 HB2 ASP 490 -12.655 -40.870 -13.399 4 HB3 ASP 490 HB3 ASP 490 -12.472 -42.478 -12.716 No H/Q in entry = 4 In of MODEL 2 1 H ALA 491 H ALA 491 -10.936 -39.384 -12.008 2 HA ALA 491 HA ALA 491 -8.659 -40.796 -11.239 3 HB1 ALA 491 HB1 ALA 491 -9.091 -37.822 -11.253 4 HB3 ALA 491 HB2 ALA 491 -8.331 -38.814 -12.498 5 HB2 ALA 491 HB3 ALA 491 -7.533 -38.587 -10.941 No H/Q in entry = 5 In of MODEL 2 1 H SER 492 H SER 492 -10.371 -38.355 -9.245 2 HA SER 492 HA SER 492 -9.130 -38.482 -6.814 3 HB2 SER 492 HB2 SER 492 -11.990 -38.330 -7.629 4 HB3 SER 492 HB3 SER 492 -11.645 -38.692 -5.938 5 HG SER 492 HG SER 492 -10.084 -36.722 -6.998 No H/Q in entry = 5 In of MODEL 2 1 H HIS 493 H HIS 493 -11.779 -40.578 -7.848 2 HA HIS 493 HA HIS 493 -11.720 -41.998 -5.456 3 HB2 HIS 493 HB2 HIS 493 -13.041 -42.748 -8.052 4 HB3 HIS 493 HB3 HIS 493 -13.305 -43.561 -6.522 5 HD1 HIS 493 HD1 HIS 493 -13.154 -40.470 -5.198 6 HD2 HIS 493 HD2 HIS 493 -15.868 -42.104 -7.878 7 HE1 HIS 493 HE1 HIS 493 -15.232 -39.066 -4.985 8 HE2 HIS 493 HE2 HIS 493 -16.870 -40.084 -6.609 No H/Q in entry = 8 In of MODEL 2 1 H ALA 494 H ALA 494 -10.180 -42.528 -8.546 2 HA ALA 494 HA ALA 494 -9.556 -45.228 -8.020 3 HB2 ALA 494 HB1 ALA 494 -8.090 -45.208 -9.851 4 HB3 ALA 494 HB2 ALA 494 -7.794 -43.475 -9.712 5 HB1 ALA 494 HB3 ALA 494 -9.357 -44.059 -10.284 No H/Q in entry = 5 In of MODEL 2 1 H GLU 495 H GLU 495 -8.020 -42.207 -6.974 2 HA GLU 495 HA GLU 495 -5.823 -43.722 -5.750 3 HB2 GLU 495 HB2 GLU 495 -6.471 -40.794 -5.589 4 HB3 GLU 495 HB3 GLU 495 -5.110 -41.560 -4.801 5 HG2 GLU 495 HG2 GLU 495 -5.616 -41.199 -7.710 6 HG3 GLU 495 HG3 GLU 495 -4.322 -40.524 -6.729 No H/Q in entry = 6 In of MODEL 2 1 H GLY 496 H GLY 496 -8.950 -43.235 -4.924 2 HA3 GLY 496 HA2 GLY 496 -10.041 -43.583 -2.911 3 HA2 GLY 496 HA3 GLY 496 -8.481 -43.792 -2.136 No H/Q in entry = 3 In of MODEL 2 1 H LYS 497 H LYS 497 -8.937 -40.922 -3.966 2 HA LYS 497 HA LYS 497 -9.394 -39.295 -1.533 3 HB2 LYS 497 HB2 LYS 497 -8.206 -38.671 -4.229 4 HB3 LYS 497 HB3 LYS 497 -8.874 -37.400 -3.221 5 HG2 LYS 497 HG2 LYS 497 -6.542 -37.484 -2.876 6 HG3 LYS 497 HG3 LYS 497 -7.335 -38.075 -1.431 7 HD2 LYS 497 HD2 LYS 497 -6.846 -40.384 -2.144 8 HD3 LYS 497 HD3 LYS 497 -5.996 -39.745 -3.552 9 HE2 LYS 497 HE2 LYS 497 -4.498 -38.497 -2.038 10 HE3 LYS 497 HE3 LYS 497 -5.307 -39.263 -0.659 11 HZ3 LYS 497 HZ1 LYS 497 -3.401 -40.522 -1.306 12 HZ2 LYS 497 HZ2 LYS 497 -3.979 -40.643 -2.899 13 HZ1 LYS 497 HZ3 LYS 497 -4.813 -41.402 -1.627 No H/Q in entry = 13 In of MODEL 2 1 H TRP 498 H TRP 498 -10.508 -37.156 -2.549 2 HA TRP 498 HA TRP 498 -12.960 -38.059 -3.884 3 HB2 TRP 498 HB2 TRP 498 -14.173 -36.565 -2.254 4 HB3 TRP 498 HB3 TRP 498 -13.511 -38.045 -1.585 5 HD1 TRP 498 HD1 TRP 498 -10.800 -37.527 -0.539 6 HE1 TRP 498 HE1 TRP 498 -10.150 -35.630 1.080 7 HE3 TRP 498 HE3 TRP 498 -14.711 -34.337 -1.389 8 HZ2 TRP 498 HZ2 TRP 498 -11.117 -33.173 1.900 9 HZ3 TRP 498 HZ3 TRP 498 -14.763 -32.176 -0.147 10 HH2 TRP 498 HH2 TRP 498 -12.984 -31.618 1.473 No H/Q in entry = 10 In of MODEL 2 1 H THR 499 H THR 499 -14.226 -36.388 -4.837 2 HA THR 499 HA THR 499 -12.658 -33.969 -5.444 3 HB THR 499 HB THR 499 -12.930 -35.453 -7.412 4 HG1 THR 499 HG1 THR 499 -13.832 -32.933 -7.106 5 HG23 THR 499 HG21 THR 499 -14.917 -36.377 -8.032 6 HG22 THR 499 HG22 THR 499 -15.843 -34.965 -7.521 7 HG21 THR 499 HG23 THR 499 -15.321 -36.156 -6.330 No H/Q in entry = 7 In of MODEL 2 1 H GLY 500 H GLY 500 -13.658 -32.170 -5.001 2 HA3 GLY 500 HA2 GLY 500 -16.572 -32.216 -4.494 3 HA2 GLY 500 HA3 GLY 500 -15.484 -31.049 -3.737 No H/Q in entry = 3 In of MODEL 2 1 H MET 501 H MET 501 -17.320 -29.808 -4.962 2 HA MET 501 HA MET 501 -16.138 -28.760 -7.424 3 HB2 MET 501 HB2 MET 501 -18.942 -29.767 -7.071 4 HB3 MET 501 HB3 MET 501 -18.510 -28.596 -8.310 5 HG2 MET 501 HG2 MET 501 -16.670 -30.786 -8.302 6 HG3 MET 501 HG3 MET 501 -18.309 -31.382 -8.410 7 HE2 MET 501 HE1 MET 501 -19.215 -28.215 -10.533 8 HE1 MET 501 HE2 MET 501 -20.047 -29.661 -9.971 9 HE3 MET 501 HE3 MET 501 -19.743 -29.446 -11.692 No H/Q in entry = 9 In of MODEL 2 1 H CYS 502 H CYS 502 -15.896 -26.593 -7.090 2 HA CYS 502 HA CYS 502 -17.954 -25.272 -5.459 3 HB2 CYS 502 HB2 CYS 502 -15.390 -23.882 -5.970 4 HB3 CYS 502 HB3 CYS 502 -16.458 -23.810 -4.579 5 HG CYS 502 HG CYS 502 -14.191 -25.760 -5.013 No H/Q in entry = 5 In of MODEL 2 1 H GLY 503 H GLY 503 -16.881 -25.584 -8.594 2 HA3 GLY 503 HA2 GLY 503 -17.494 -23.030 -9.691 3 HA2 GLY 503 HA3 GLY 503 -17.657 -24.579 -10.520 No H/Q in entry = 3 In of MODEL 2 1 H GLU 504 H GLU 504 -19.457 -22.491 -10.826 2 HA GLU 504 HA GLU 504 -21.617 -22.625 -9.054 3 HB2 GLU 504 HB2 GLU 504 -20.909 -20.906 -10.939 4 HB3 GLU 504 HB3 GLU 504 -22.232 -21.726 -11.761 5 HG2 GLU 504 HG2 GLU 504 -22.335 -20.425 -9.047 6 HG3 GLU 504 HG3 GLU 504 -23.063 -19.816 -10.524 No H/Q in entry = 6 In of MODEL 2 1 H LEU 505 H LEU 505 -20.844 -24.835 -11.533 2 HA LEU 505 HA LEU 505 -23.387 -25.843 -12.167 3 HB2 LEU 505 HB2 LEU 505 -21.027 -26.504 -12.991 4 HB3 LEU 505 HB3 LEU 505 -21.080 -27.640 -11.664 5 HG LEU 505 HG LEU 505 -23.105 -28.633 -12.616 6 HD11 LEU 505 HD11 LEU 505 -22.772 -26.305 -14.374 7 HD13 LEU 505 HD12 LEU 505 -24.232 -27.060 -13.731 8 HD12 LEU 505 HD13 LEU 505 -23.398 -27.778 -15.110 9 HD22 LEU 505 HD21 LEU 505 -21.258 -29.864 -13.335 10 HD21 LEU 505 HD22 LEU 505 -20.608 -28.531 -14.290 11 HD23 LEU 505 HD23 LEU 505 -22.018 -29.422 -14.864 No H/Q in entry = 11 In of MODEL 2 1 H ALA 506 H ALA 506 -21.328 -26.476 -9.364 2 HA ALA 506 HA ALA 506 -22.659 -28.611 -8.178 3 HB1 ALA 506 HB1 ALA 506 -21.131 -26.288 -7.055 4 HB2 ALA 506 HB2 ALA 506 -20.700 -27.999 -7.079 5 HB3 ALA 506 HB3 ALA 506 -21.950 -27.418 -5.977 No H/Q in entry = 5 In of MODEL 2 1 H GLY 507 H GLY 507 -23.325 -25.137 -8.044 2 HA3 GLY 507 HA2 GLY 507 -25.637 -25.536 -6.355 3 HA2 GLY 507 HA3 GLY 507 -25.021 -24.006 -6.943 No H/Q in entry = 3 In of MODEL 2 1 H ASP 508 H ASP 508 -25.303 -25.977 -9.589 2 HA ASP 508 HA ASP 508 -27.664 -24.526 -10.480 3 HB2 ASP 508 HB2 ASP 508 -25.490 -24.765 -11.747 4 HB3 ASP 508 HB3 ASP 508 -25.877 -26.459 -11.969 No H/Q in entry = 4 In of MODEL 2 1 H GLU 509 H GLU 509 -29.652 -25.400 -10.123 2 HA GLU 509 HA GLU 509 -30.377 -27.870 -9.196 3 HB2 GLU 509 HB2 GLU 509 -31.930 -26.143 -11.089 4 HB3 GLU 509 HB3 GLU 509 -32.592 -27.531 -10.260 5 HG2 GLU 509 HG2 GLU 509 -32.232 -26.436 -8.123 6 HG3 GLU 509 HG3 GLU 509 -31.497 -25.062 -8.938 No H/Q in entry = 6 In of MODEL 2 1 H ARG 510 H ARG 510 -29.392 -27.217 -12.427 2 HA ARG 510 HA ARG 510 -30.906 -29.418 -13.542 3 HB2 ARG 510 HB2 ARG 510 -29.142 -27.257 -14.601 4 HB3 ARG 510 HB3 ARG 510 -29.610 -28.606 -15.621 5 HG2 ARG 510 HG2 ARG 510 -31.240 -27.089 -16.100 6 HG3 ARG 510 HG3 ARG 510 -32.003 -28.000 -14.795 7 HD2 ARG 510 HD2 ARG 510 -31.136 -26.333 -13.190 8 HD3 ARG 510 HD3 ARG 510 -30.529 -25.391 -14.553 9 HE ARG 510 HE ARG 510 -32.682 -24.713 -14.988 10 HH21 ARG 510 HH11 ARG 510 -34.856 -24.561 -14.706 11 HH22 ARG 510 HH12 ARG 510 -35.688 -25.690 -13.690 12 HH11 ARG 510 HH21 ARG 510 -32.793 -27.514 -12.893 13 HH12 ARG 510 HH22 ARG 510 -34.503 -27.397 -12.642 No H/Q in entry = 13 In of MODEL 2 1 H ALA 511 H ALA 511 -27.800 -28.946 -12.251 2 HA ALA 511 HA ALA 511 -26.766 -31.210 -13.781 3 HB3 ALA 511 HB1 ALA 511 -24.723 -30.366 -13.548 4 HB2 ALA 511 HB2 ALA 511 -25.040 -29.753 -11.923 5 HB1 ALA 511 HB3 ALA 511 -25.624 -28.867 -13.332 No H/Q in entry = 5 In of MODEL 2 1 H THR 512 H THR 512 -28.032 -30.368 -10.744 2 HA THR 512 HA THR 512 -26.532 -31.658 -8.946 3 HB THR 512 HB THR 512 -29.524 -31.768 -8.913 4 HG1 THR 512 HG1 THR 512 -29.457 -29.725 -8.171 5 HG22 THR 512 HG21 THR 512 -29.104 -31.595 -6.465 6 HG21 THR 512 HG22 THR 512 -27.384 -31.811 -6.800 7 HG23 THR 512 HG23 THR 512 -28.527 -33.096 -7.192 No H/Q in entry = 7 In of MODEL 2 1 H LEU 513 H LEU 513 -29.201 -33.341 -10.732 2 HA LEU 513 HA LEU 513 -28.652 -35.872 -9.577 3 HB2 LEU 513 HB2 LEU 513 -29.774 -35.562 -12.317 4 HB3 LEU 513 HB3 LEU 513 -29.947 -36.909 -11.226 5 HG LEU 513 HG LEU 513 -31.096 -34.210 -10.596 6 HD11 LEU 513 HD11 LEU 513 -32.293 -36.372 -12.323 7 HD13 LEU 513 HD12 LEU 513 -31.992 -34.685 -12.746 8 HD12 LEU 513 HD13 LEU 513 -33.247 -35.090 -11.573 9 HD23 LEU 513 HD21 LEU 513 -31.881 -36.983 -9.784 10 HD22 LEU 513 HD22 LEU 513 -32.689 -35.490 -9.302 11 HD21 LEU 513 HD23 LEU 513 -31.029 -35.803 -8.790 No H/Q in entry = 11 In of MODEL 2 1 H LEU 514 H LEU 514 -27.215 -34.343 -12.400 2 HA LEU 514 HA LEU 514 -25.827 -36.708 -13.254 3 HB2 LEU 514 HB2 LEU 514 -25.744 -33.819 -13.949 4 HB3 LEU 514 HB3 LEU 514 -24.324 -34.779 -14.324 5 HG LEU 514 HG LEU 514 -25.629 -36.251 -15.723 6 HD11 LEU 514 HD11 LEU 514 -27.639 -36.193 -14.356 7 HD13 LEU 514 HD12 LEU 514 -27.970 -35.916 -16.067 8 HD12 LEU 514 HD13 LEU 514 -27.963 -34.561 -14.939 9 HD21 LEU 514 HD21 LEU 514 -24.968 -33.691 -16.273 10 HD23 LEU 514 HD22 LEU 514 -26.701 -33.643 -16.599 11 HD22 LEU 514 HD23 LEU 514 -25.673 -34.791 -17.457 No H/Q in entry = 11 In of MODEL 2 1 H LEU 515 H LEU 515 -24.797 -33.765 -11.540 2 HA LEU 515 HA LEU 515 -22.161 -34.454 -11.034 3 HB2 LEU 515 HB2 LEU 515 -24.248 -32.867 -9.591 4 HB3 LEU 515 HB3 LEU 515 -22.685 -33.153 -8.830 5 HG LEU 515 HG LEU 515 -21.530 -32.108 -10.669 6 HD11 LEU 515 HD11 LEU 515 -24.268 -32.006 -11.889 7 HD13 LEU 515 HD12 LEU 515 -22.847 -32.852 -12.503 8 HD12 LEU 515 HD13 LEU 515 -22.888 -31.090 -12.491 9 HD22 LEU 515 HD21 LEU 515 -22.460 -29.864 -10.483 10 HD21 LEU 515 HD22 LEU 515 -22.520 -30.686 -8.922 11 HD23 LEU 515 HD23 LEU 515 -23.983 -30.532 -9.896 No H/Q in entry = 11 In of MODEL 2 1 H LEU 516 H LEU 516 -25.114 -35.164 -9.180 2 HA LEU 516 HA LEU 516 -23.901 -36.723 -7.177 3 HB2 LEU 516 HB2 LEU 516 -26.616 -36.977 -8.365 4 HB3 LEU 516 HB3 LEU 516 -26.105 -37.696 -6.884 5 HG LEU 516 HG LEU 516 -26.656 -34.792 -7.403 6 HD13 LEU 516 HD11 LEU 516 -28.734 -36.062 -7.096 7 HD12 LEU 516 HD12 LEU 516 -28.413 -35.041 -5.694 8 HD11 LEU 516 HD13 LEU 516 -28.090 -36.771 -5.614 9 HD21 LEU 516 HD21 LEU 516 -25.485 -36.277 -5.051 10 HD23 LEU 516 HD22 LEU 516 -26.167 -34.656 -4.907 11 HD22 LEU 516 HD23 LEU 516 -24.776 -34.939 -5.957 No H/Q in entry = 11 In of MODEL 2 1 H GLY 517 H GLY 517 -25.436 -37.823 -10.202 2 HA3 GLY 517 HA2 GLY 517 -25.083 -40.564 -9.790 3 HA2 GLY 517 HA3 GLY 517 -25.343 -39.796 -11.353 No H/Q in entry = 3 In of MODEL 2 1 H MET 518 H MET 518 -22.977 -38.126 -11.081 2 HA MET 518 HA MET 518 -21.100 -39.977 -12.217 3 HB2 MET 518 HB2 MET 518 -21.174 -37.034 -11.766 4 HB3 MET 518 HB3 MET 518 -19.694 -37.829 -12.261 5 HG2 MET 518 HG2 MET 518 -20.964 -38.747 -14.254 6 HG3 MET 518 HG3 MET 518 -22.302 -37.672 -13.789 7 HE3 MET 518 HE1 MET 518 -22.367 -35.347 -15.232 8 HE2 MET 518 HE2 MET 518 -21.420 -34.209 -14.274 9 HE1 MET 518 HE3 MET 518 -22.322 -35.491 -13.469 No H/Q in entry = 9 In of MODEL 2 1 H GLY 519 H GLY 519 -21.821 -39.155 -9.111 2 HA3 GLY 519 HA2 GLY 519 -20.826 -40.051 -7.239 3 HA2 GLY 519 HA3 GLY 519 -19.395 -40.390 -8.181 No H/Q in entry = 3 In of MODEL 2 1 H LEU 520 H LEU 520 -20.364 -37.117 -8.333 2 HA LEU 520 HA LEU 520 -18.065 -36.055 -7.175 3 HB2 LEU 520 HB2 LEU 520 -20.106 -34.251 -6.681 4 HB3 LEU 520 HB3 LEU 520 -19.061 -34.301 -8.081 5 HG LEU 520 HG LEU 520 -21.082 -36.139 -8.619 6 HD13 LEU 520 HD11 LEU 520 -22.381 -35.226 -6.780 7 HD12 LEU 520 HD12 LEU 520 -23.093 -34.734 -8.316 8 HD11 LEU 520 HD13 LEU 520 -22.128 -33.589 -7.384 9 HD22 LEU 520 HD21 LEU 520 -21.569 -34.542 -10.343 10 HD21 LEU 520 HD22 LEU 520 -19.825 -34.590 -10.066 11 HD23 LEU 520 HD23 LEU 520 -20.788 -33.260 -9.420 No H/Q in entry = 11 In of MODEL 2 1 H ASP 521 H ASP 521 -17.459 -35.694 -5.113 2 HA ASP 521 HA ASP 521 -18.959 -37.042 -3.030 3 HB2 ASP 521 HB2 ASP 521 -16.493 -37.305 -3.344 4 HB3 ASP 521 HB3 ASP 521 -16.303 -35.635 -2.824 No H/Q in entry = 4 In of MODEL 2 1 H GLU 522 H GLU 522 -18.073 -33.842 -3.936 2 HA GLU 522 HA GLU 522 -19.476 -32.803 -1.584 3 HB2 GLU 522 HB2 GLU 522 -17.307 -32.849 -0.794 4 HB3 GLU 522 HB3 GLU 522 -16.613 -32.506 -2.365 5 HG2 GLU 522 HG2 GLU 522 -16.319 -30.623 -0.925 6 HG3 GLU 522 HG3 GLU 522 -17.451 -30.205 -2.201 No H/Q in entry = 6 In of MODEL 2 1 H PHE 523 H PHE 523 -20.618 -30.989 -1.909 2 HA PHE 523 HA PHE 523 -20.245 -29.615 -4.516 3 HB2 PHE 523 HB2 PHE 523 -22.746 -29.246 -2.957 4 HB3 PHE 523 HB3 PHE 523 -22.502 -29.240 -4.692 5 HD1 PHE 523 HD1 PHE 523 -24.483 -30.684 -2.623 6 HD2 PHE 523 HD2 PHE 523 -21.193 -31.913 -5.049 7 HE1 PHE 523 HE1 PHE 523 -25.379 -33.007 -2.659 8 HE2 PHE 523 HE2 PHE 523 -22.043 -34.205 -5.106 9 HZ PHE 523 HZ PHE 523 -24.165 -34.765 -3.942 No H/Q in entry = 9 In of MODEL 2 1 H SER 524 H SER 524 -19.841 -27.403 -4.409 2 HA SER 524 HA SER 524 -20.508 -26.215 -1.803 3 HB2 SER 524 HB2 SER 524 -18.362 -25.017 -1.685 4 HB3 SER 524 HB3 SER 524 -18.156 -26.765 -1.606 5 HG SER 524 HG SER 524 -17.040 -25.127 -3.266 No H/Q in entry = 5 In of MODEL 2 1 H MET 525 H MET 525 -21.434 -24.258 -1.934 2 HA MET 525 HA MET 525 -21.361 -22.912 -4.560 3 HB2 MET 525 HB2 MET 525 -23.883 -22.880 -4.296 4 HB3 MET 525 HB3 MET 525 -23.137 -24.395 -4.787 5 HG2 MET 525 HG2 MET 525 -23.143 -25.057 -2.372 6 HG3 MET 525 HG3 MET 525 -24.136 -23.630 -2.066 7 HE2 MET 525 HE1 MET 525 -25.710 -27.711 -2.560 8 HE1 MET 525 HE2 MET 525 -24.024 -27.214 -2.434 9 HE3 MET 525 HE3 MET 525 -24.685 -27.658 -4.005 No H/Q in entry = 9 In of MODEL 2 1 H SER 526 H SER 526 -22.927 -21.026 -4.481 2 HA SER 526 HA SER 526 -22.611 -19.182 -2.357 3 HB2 SER 526 HB2 SER 526 -24.415 -18.092 -3.353 4 HB3 SER 526 HB3 SER 526 -23.714 -18.960 -4.710 5 HG SER 526 HG SER 526 -25.524 -19.951 -4.886 No H/Q in entry = 5 In of MODEL 2 1 H ALA 527 H ALA 527 -23.568 -19.230 -0.393 2 HA ALA 527 HA ALA 527 -24.670 -21.491 0.769 3 HB1 ALA 527 HB1 ALA 527 -23.804 -19.472 1.912 4 HB3 ALA 527 HB2 ALA 527 -25.336 -20.074 2.549 5 HB2 ALA 527 HB3 ALA 527 -25.311 -18.658 1.496 No H/Q in entry = 5 In of MODEL 2 1 H ILE 528 H ILE 528 -26.411 -18.743 -0.754 2 HA ILE 528 HA ILE 528 -28.997 -19.471 -0.115 3 HB ILE 528 HB ILE 528 -29.692 -18.194 -2.093 4 HG12 ILE 528 HG12 ILE 528 -26.729 -18.066 -2.738 5 HG13 ILE 528 HG13 ILE 528 -27.871 -19.104 -3.590 6 HG21 ILE 528 HG21 ILE 528 -28.600 -17.214 0.104 7 HG23 ILE 528 HG22 ILE 528 -28.932 -16.155 -1.267 8 HG22 ILE 528 HG23 ILE 528 -27.298 -16.756 -0.993 9 HD11 ILE 528 HD11 ILE 528 -29.108 -16.604 -3.590 10 HD13 ILE 528 HD12 ILE 528 -28.268 -17.347 -4.950 11 HD12 ILE 528 HD13 ILE 528 -27.408 -16.241 -3.881 No H/Q in entry = 11 In of MODEL 2 1 H SER 529 H SER 529 -26.938 -21.193 -2.317 2 HA SER 529 HA SER 529 -29.270 -22.356 -3.623 3 HB2 SER 529 HB2 SER 529 -27.349 -21.760 -4.984 4 HB3 SER 529 HB3 SER 529 -26.347 -22.880 -4.060 5 HG SER 529 HG SER 529 -27.086 -24.365 -5.338 No H/Q in entry = 5 In of MODEL 2 1 H ILE 530 H ILE 530 -27.489 -22.939 -0.902 2 HA ILE 530 HA ILE 530 -27.060 -25.656 -1.114 3 HB ILE 530 HB ILE 530 -25.928 -25.174 0.680 4 HG12 ILE 530 HG12 ILE 530 -27.179 -25.329 2.812 5 HG13 ILE 530 HG13 ILE 530 -28.670 -25.208 1.905 6 HG21 ILE 530 HG21 ILE 530 -27.757 -22.819 0.829 7 HG23 ILE 530 HG22 ILE 530 -26.013 -22.870 0.574 8 HG22 ILE 530 HG23 ILE 530 -26.680 -23.187 2.176 9 HD11 ILE 530 HD11 ILE 530 -27.235 -27.302 0.725 10 HD13 ILE 530 HD12 ILE 530 -28.664 -27.419 1.752 11 HD12 ILE 530 HD13 ILE 530 -27.053 -27.509 2.467 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 531 HA PRO 531 -31.225 -26.601 0.919 2 HB2 PRO 531 HB2 PRO 531 -32.870 -24.272 0.086 3 HB3 PRO 531 HB3 PRO 531 -32.937 -25.249 1.570 4 HG2 PRO 531 HG2 PRO 531 -31.841 -22.848 1.693 5 HG3 PRO 531 HG3 PRO 531 -31.013 -24.211 2.485 6 HD2 PRO 531 HD2 PRO 531 -30.451 -22.998 -0.213 7 HD3 PRO 531 HD3 PRO 531 -29.322 -23.384 1.113 No H/Q in entry = 7 In of MODEL 2 1 H ARG 532 H ARG 532 -31.419 -24.767 -2.229 2 HA ARG 532 HA ARG 532 -33.501 -26.367 -3.305 3 HB2 ARG 532 HB2 ARG 532 -31.237 -25.023 -4.768 4 HB3 ARG 532 HB3 ARG 532 -32.618 -25.772 -5.546 5 HG2 ARG 532 HG2 ARG 532 -34.100 -24.196 -4.382 6 HG3 ARG 532 HG3 ARG 532 -32.689 -23.432 -3.655 7 HD2 ARG 532 HD2 ARG 532 -31.841 -22.814 -5.868 8 HD3 ARG 532 HD3 ARG 532 -33.178 -23.657 -6.642 9 HE ARG 532 HE ARG 532 -34.660 -21.947 -5.835 10 HH21 ARG 532 HH11 ARG 532 -35.032 -19.749 -5.555 11 HH22 ARG 532 HH12 ARG 532 -33.711 -18.686 -5.205 12 HH11 ARG 532 HH21 ARG 532 -31.272 -21.231 -5.223 13 HH12 ARG 532 HH22 ARG 532 -31.552 -19.536 -5.012 No H/Q in entry = 13 In of MODEL 2 1 H ILE 533 H ILE 533 -30.014 -26.679 -3.412 2 HA ILE 533 HA ILE 533 -30.078 -28.983 -5.035 3 HB ILE 533 HB ILE 533 -27.931 -27.832 -3.288 4 HG12 ILE 533 HG12 ILE 533 -28.770 -26.323 -5.033 5 HG13 ILE 533 HG13 ILE 533 -27.086 -26.730 -5.230 6 HG23 ILE 533 HG21 ILE 533 -27.302 -30.084 -3.550 7 HG22 ILE 533 HG22 ILE 533 -26.363 -29.217 -4.766 8 HG21 ILE 533 HG23 ILE 533 -27.797 -30.127 -5.244 9 HD11 ILE 533 HD11 ILE 533 -27.744 -28.315 -7.030 10 HD13 ILE 533 HD12 ILE 533 -28.144 -26.633 -7.375 11 HD12 ILE 533 HD13 ILE 533 -29.408 -27.750 -6.857 No H/Q in entry = 11 In of MODEL 2 1 H LYS 534 H LYS 534 -29.691 -28.473 -1.543 2 HA LYS 534 HA LYS 534 -29.293 -31.114 -0.745 3 HB2 LYS 534 HB2 LYS 534 -29.312 -30.042 1.212 4 HB3 LYS 534 HB3 LYS 534 -30.008 -28.620 0.461 5 HG2 LYS 534 HG2 LYS 534 -32.243 -29.565 0.777 6 HG3 LYS 534 HG3 LYS 534 -31.544 -30.985 1.516 7 HD2 LYS 534 HD2 LYS 534 -30.776 -29.626 3.447 8 HD3 LYS 534 HD3 LYS 534 -31.402 -28.165 2.684 9 HE2 LYS 534 HE2 LYS 534 -33.648 -29.035 2.764 10 HE3 LYS 534 HE3 LYS 534 -33.081 -30.576 3.349 11 HZ1 LYS 534 HZ1 LYS 534 -32.243 -28.765 5.196 12 HZ3 LYS 534 HZ2 LYS 534 -33.563 -29.827 5.323 13 HZ2 LYS 534 HZ3 LYS 534 -33.795 -28.242 4.760 No H/Q in entry = 13 In of MODEL 2 1 H LYS 535 H LYS 535 -32.328 -29.300 -1.367 2 HA LYS 535 HA LYS 535 -34.149 -31.289 -0.764 3 HB2 LYS 535 HB2 LYS 535 -34.768 -28.977 -1.211 4 HB3 LYS 535 HB3 LYS 535 -34.405 -29.206 -2.912 5 HG2 LYS 535 HG2 LYS 535 -36.178 -30.859 -3.095 6 HG3 LYS 535 HG3 LYS 535 -36.510 -30.720 -1.368 7 HD2 LYS 535 HD2 LYS 535 -38.117 -29.336 -2.399 8 HD3 LYS 535 HD3 LYS 535 -36.885 -28.228 -1.807 9 HE2 LYS 535 HE2 LYS 535 -36.002 -27.892 -3.959 10 HE3 LYS 535 HE3 LYS 535 -36.848 -29.302 -4.610 11 HZ3 LYS 535 HZ1 LYS 535 -38.485 -27.936 -5.142 12 HZ2 LYS 535 HZ2 LYS 535 -37.780 -26.640 -4.302 13 HZ1 LYS 535 HZ3 LYS 535 -38.795 -27.731 -3.489 No H/Q in entry = 13 In of MODEL 2 1 H ILE 536 H ILE 536 -32.613 -30.614 -3.885 2 HA ILE 536 HA ILE 536 -33.972 -32.628 -5.308 3 HB ILE 536 HB ILE 536 -31.326 -31.296 -5.843 4 HG12 ILE 536 HG12 ILE 536 -33.595 -30.063 -5.960 5 HG13 ILE 536 HG13 ILE 536 -32.489 -29.918 -7.313 6 HG21 ILE 536 HG21 ILE 536 -32.840 -33.376 -7.437 7 HG23 ILE 536 HG22 ILE 536 -31.138 -33.378 -6.979 8 HG22 ILE 536 HG23 ILE 536 -31.720 -32.250 -8.204 9 HD12 ILE 536 HD11 ILE 536 -35.102 -30.484 -7.629 10 HD11 ILE 536 HD12 ILE 536 -34.486 -32.128 -7.456 11 HD13 ILE 536 HD13 ILE 536 -33.866 -31.084 -8.736 No H/Q in entry = 11 In of MODEL 2 1 H ILE 537 H ILE 537 -31.082 -32.626 -3.357 2 HA ILE 537 HA ILE 537 -30.215 -35.193 -4.234 3 HB ILE 537 HB ILE 537 -28.431 -35.043 -2.728 4 HG12 ILE 537 HG12 ILE 537 -28.739 -33.200 -0.805 5 HG13 ILE 537 HG13 ILE 537 -30.427 -33.561 -1.058 6 HG22 ILE 537 HG21 ILE 537 -28.570 -32.171 -2.671 7 HG21 ILE 537 HG22 ILE 537 -29.182 -32.778 -4.211 8 HG23 ILE 537 HG23 ILE 537 -27.563 -33.219 -3.669 9 HD12 ILE 537 HD11 ILE 537 -28.284 -35.485 -0.189 10 HD11 ILE 537 HD12 ILE 537 -29.968 -35.914 -0.497 11 HD13 ILE 537 HD13 ILE 537 -29.564 -34.800 0.810 No H/Q in entry = 11 In of MODEL 2 1 H ARG 538 H ARG 538 -31.938 -33.987 -1.435 2 HA ARG 538 HA ARG 538 -32.069 -36.456 -0.140 3 HB2 ARG 538 HB2 ARG 538 -32.393 -34.245 0.885 4 HB3 ARG 538 HB3 ARG 538 -33.985 -34.182 0.149 5 HG2 ARG 538 HG2 ARG 538 -34.636 -36.187 1.367 6 HG3 ARG 538 HG3 ARG 538 -33.029 -36.281 2.082 7 HD2 ARG 538 HD2 ARG 538 -34.551 -35.233 3.639 8 HD3 ARG 538 HD3 ARG 538 -33.364 -34.061 3.084 9 HE ARG 538 HE ARG 538 -35.656 -33.916 1.438 10 HH21 ARG 538 HH11 ARG 538 -37.145 -32.220 1.678 11 HH22 ARG 538 HH12 ARG 538 -37.198 -31.330 3.163 12 HH11 ARG 538 HH21 ARG 538 -34.622 -33.128 4.690 13 HH12 ARG 538 HH22 ARG 538 -35.768 -31.843 4.872 No H/Q in entry = 13 In of MODEL 2 1 H ASN 539 H ASN 539 -33.777 -35.433 -2.875 2 HA ASN 539 HA ASN 539 -35.937 -37.380 -2.448 3 HB2 ASN 539 HB2 ASN 539 -37.314 -36.007 -3.906 4 HB3 ASN 539 HB3 ASN 539 -36.692 -35.078 -2.550 5 HD21 ASN 539 HD21 ASN 539 -36.821 -33.040 -3.573 6 HD22 ASN 539 HD22 ASN 539 -35.844 -32.585 -4.884 No H/Q in entry = 6 In of MODEL 2 1 H THR 540 H THR 540 -33.153 -37.474 -3.898 2 HA THR 540 HA THR 540 -34.087 -38.665 -6.437 3 HB THR 540 HB THR 540 -31.208 -38.388 -5.540 4 HG1 THR 540 HG1 THR 540 -31.819 -36.302 -5.537 5 HG23 THR 540 HG21 THR 540 -31.596 -39.785 -7.454 6 HG22 THR 540 HG22 THR 540 -30.883 -38.263 -7.993 7 HG21 THR 540 HG23 THR 540 -32.614 -38.549 -8.194 No H/Q in entry = 7 In of MODEL 2 1 H ASN 541 H ASN 541 -33.264 -40.685 -6.944 2 HA ASN 541 HA ASN 541 -32.358 -42.283 -4.680 3 HB2 ASN 541 HB2 ASN 541 -34.069 -42.899 -6.991 4 HB3 ASN 541 HB3 ASN 541 -32.779 -44.061 -6.715 5 HD21 ASN 541 HD21 ASN 541 -35.629 -42.518 -5.322 6 HD22 ASN 541 HD22 ASN 541 -35.892 -43.677 -4.109 No H/Q in entry = 6 In of MODEL 2 1 H PHE 542 H PHE 542 -30.227 -42.738 -4.705 2 HA PHE 542 HA PHE 542 -28.557 -41.431 -6.528 3 HB2 PHE 542 HB2 PHE 542 -27.737 -41.834 -4.356 4 HB3 PHE 542 HB3 PHE 542 -27.941 -43.566 -4.520 5 HD1 PHE 542 HD1 PHE 542 -26.010 -40.656 -5.854 6 HD2 PHE 542 HD2 PHE 542 -26.174 -44.933 -5.369 7 HE1 PHE 542 HE1 PHE 542 -23.664 -40.844 -6.677 8 HE2 PHE 542 HE2 PHE 542 -23.837 -45.136 -6.217 9 HZ PHE 542 HZ PHE 542 -22.574 -43.083 -6.860 No H/Q in entry = 9 In of MODEL 2 1 H GLU 543 H GLU 543 -29.494 -44.847 -6.439 2 HA GLU 543 HA GLU 543 -27.668 -45.679 -8.392 3 HB2 GLU 543 HB2 GLU 543 -29.263 -47.572 -8.789 4 HB3 GLU 543 HB3 GLU 543 -28.765 -47.349 -7.118 5 HG2 GLU 543 HG2 GLU 543 -30.860 -46.171 -6.639 6 HG3 GLU 543 HG3 GLU 543 -31.349 -46.332 -8.313 No H/Q in entry = 6 In of MODEL 2 1 H ASP 544 H ASP 544 -30.865 -44.307 -8.682 2 HA ASP 544 HA ASP 544 -31.195 -44.748 -11.437 3 HB2 ASP 544 HB2 ASP 544 -33.058 -43.239 -11.276 4 HB3 ASP 544 HB3 ASP 544 -33.023 -44.283 -9.863 No H/Q in entry = 4 In of MODEL 2 1 H ALA 545 H ALA 545 -29.999 -41.963 -9.660 2 HA ALA 545 HA ALA 545 -29.352 -40.219 -11.708 3 HB2 ALA 545 HB1 ALA 545 -28.018 -40.715 -9.086 4 HB3 ALA 545 HB2 ALA 545 -29.332 -39.585 -9.417 5 HB1 ALA 545 HB3 ALA 545 -27.739 -39.323 -10.128 No H/Q in entry = 5 In of MODEL 2 1 H LYS 546 H LYS 546 -27.329 -42.870 -10.315 2 HA LYS 546 HA LYS 546 -25.036 -42.362 -11.867 3 HB2 LYS 546 HB2 LYS 546 -26.189 -44.810 -10.661 4 HB3 LYS 546 HB3 LYS 546 -25.018 -45.028 -11.945 5 HG2 LYS 546 HG2 LYS 546 -24.419 -43.227 -9.658 6 HG3 LYS 546 HG3 LYS 546 -24.270 -44.968 -9.478 7 HD2 LYS 546 HD2 LYS 546 -22.935 -43.538 -11.761 8 HD3 LYS 546 HD3 LYS 546 -22.181 -43.606 -10.172 9 HE2 LYS 546 HE2 LYS 546 -22.463 -46.127 -10.272 10 HE3 LYS 546 HE3 LYS 546 -22.923 -45.929 -11.960 11 HZ2 LYS 546 HZ1 LYS 546 -20.310 -45.370 -10.686 12 HZ1 LYS 546 HZ2 LYS 546 -20.728 -44.659 -12.170 13 HZ3 LYS 546 HZ3 LYS 546 -20.646 -46.350 -12.028 No H/Q in entry = 13 In of MODEL 2 1 H VAL 547 H VAL 547 -27.756 -44.548 -12.607 2 HA VAL 547 HA VAL 547 -27.095 -45.134 -15.241 3 HB VAL 547 HB VAL 547 -29.807 -44.867 -13.922 4 HG11 VAL 547 HG11 VAL 547 -29.176 -45.660 -16.715 5 HG13 VAL 547 HG12 VAL 547 -30.294 -44.424 -16.134 6 HG12 VAL 547 HG13 VAL 547 -30.661 -46.133 -15.892 7 HG22 VAL 547 HG21 VAL 547 -28.531 -46.748 -13.077 8 HG21 VAL 547 HG22 VAL 547 -28.121 -47.273 -14.710 9 HG23 VAL 547 HG23 VAL 547 -29.786 -47.390 -14.140 No H/Q in entry = 9 In of MODEL 2 1 H LEU 548 H LEU 548 -28.824 -42.278 -13.987 2 HA LEU 548 HA LEU 548 -29.489 -41.161 -16.479 3 HB2 LEU 548 HB2 LEU 548 -30.440 -40.276 -14.463 4 HB3 LEU 548 HB3 LEU 548 -28.861 -39.928 -13.807 5 HG LEU 548 HG LEU 548 -28.580 -38.116 -15.455 6 HD13 LEU 548 HD11 LEU 548 -30.413 -37.377 -16.825 7 HD12 LEU 548 HD12 LEU 548 -31.459 -38.646 -16.186 8 HD11 LEU 548 HD13 LEU 548 -30.093 -39.066 -17.220 9 HD21 LEU 548 HD21 LEU 548 -31.138 -38.144 -13.901 10 HD23 LEU 548 HD22 LEU 548 -30.279 -36.702 -14.447 11 HD22 LEU 548 HD23 LEU 548 -29.534 -37.782 -13.268 No H/Q in entry = 11 In of MODEL 2 1 H ALA 549 H ALA 549 -26.718 -40.678 -14.293 2 HA ALA 549 HA ALA 549 -25.386 -38.749 -15.756 3 HB1 ALA 549 HB1 ALA 549 -24.557 -39.024 -13.615 4 HB3 ALA 549 HB2 ALA 549 -23.312 -39.829 -14.572 5 HB2 ALA 549 HB3 ALA 549 -24.539 -40.783 -13.737 No H/Q in entry = 5 In of MODEL 2 1 H GLU 550 H GLU 550 -24.966 -42.244 -15.715 2 HA GLU 550 HA GLU 550 -22.929 -42.263 -17.555 3 HB2 GLU 550 HB2 GLU 550 -23.688 -44.165 -16.228 4 HB3 GLU 550 HB3 GLU 550 -25.088 -44.306 -17.292 5 HG2 GLU 550 HG2 GLU 550 -23.586 -44.491 -19.192 6 HG3 GLU 550 HG3 GLU 550 -22.216 -44.431 -18.092 No H/Q in entry = 6 In of MODEL 2 1 H GLN 551 H GLN 551 -26.459 -42.541 -18.248 2 HA GLN 551 HA GLN 551 -26.257 -42.668 -20.997 3 HB2 GLN 551 HB2 GLN 551 -28.317 -41.177 -19.390 4 HB3 GLN 551 HB3 GLN 551 -28.472 -41.638 -21.080 5 HG2 GLN 551 HG2 GLN 551 -27.917 -44.011 -20.116 6 HG3 GLN 551 HG3 GLN 551 -28.549 -43.301 -18.637 7 HE21 GLN 551 HE21 GLN 551 -29.329 -44.816 -21.583 8 HE22 GLN 551 HE22 GLN 551 -31.005 -44.552 -21.564 No H/Q in entry = 8 In of MODEL 2 1 H ALA 552 H ALA 552 -26.452 -39.735 -18.964 2 HA ALA 552 HA ALA 552 -26.530 -37.898 -20.994 3 HB2 ALA 552 HB1 ALA 552 -26.001 -36.256 -19.410 4 HB1 ALA 552 HB2 ALA 552 -25.114 -37.406 -18.408 5 HB3 ALA 552 HB3 ALA 552 -26.869 -37.519 -18.539 No H/Q in entry = 5 In of MODEL 2 1 H LEU 553 H LEU 553 -23.740 -39.398 -19.488 2 HA LEU 553 HA LEU 553 -21.811 -37.758 -20.722 3 HB2 LEU 553 HB2 LEU 553 -21.571 -40.414 -19.383 4 HB3 LEU 553 HB3 LEU 553 -20.201 -39.639 -20.150 5 HG LEU 553 HG LEU 553 -21.876 -38.295 -18.053 6 HD11 LEU 553 HD11 LEU 553 -20.088 -40.508 -17.587 7 HD13 LEU 553 HD12 LEU 553 -21.114 -39.639 -16.446 8 HD12 LEU 553 HD13 LEU 553 -19.480 -39.063 -16.775 9 HD21 LEU 553 HD21 LEU 553 -19.259 -37.631 -19.325 10 HD23 LEU 553 HD22 LEU 553 -19.579 -37.102 -17.673 11 HD22 LEU 553 HD23 LEU 553 -20.647 -36.598 -18.983 No H/Q in entry = 11 In of MODEL 2 1 H ALA 554 H ALA 554 -23.695 -40.146 -22.156 2 HA ALA 554 HA ALA 554 -21.642 -40.663 -24.173 3 HB2 ALA 554 HB1 ALA 554 -23.126 -42.436 -25.016 4 HB1 ALA 554 HB2 ALA 554 -24.367 -41.969 -23.853 5 HB3 ALA 554 HB3 ALA 554 -22.838 -42.640 -23.286 No H/Q in entry = 5 In of MODEL 2 1 H GLN 555 H GLN 555 -24.309 -38.613 -23.697 2 HA GLN 555 HA GLN 555 -25.305 -38.403 -26.328 3 HB2 GLN 555 HB2 GLN 555 -25.290 -36.437 -24.063 4 HB3 GLN 555 HB3 GLN 555 -26.236 -36.277 -25.526 5 HG2 GLN 555 HG2 GLN 555 -26.642 -38.049 -23.175 6 HG3 GLN 555 HG3 GLN 555 -27.813 -37.136 -24.107 7 HE21 GLN 555 HE21 GLN 555 -28.256 -38.024 -26.374 8 HE22 GLN 555 HE22 GLN 555 -28.292 -39.709 -26.578 No H/Q in entry = 8 In of MODEL 2 1 HA PRO 556 HA PRO 556 -21.972 -35.873 -27.853 2 HB2 PRO 556 HB2 PRO 556 -22.645 -35.602 -30.437 3 HB3 PRO 556 HB3 PRO 556 -22.194 -37.207 -29.807 4 HG2 PRO 556 HG2 PRO 556 -25.014 -36.090 -30.212 5 HG3 PRO 556 HG3 PRO 556 -24.375 -37.670 -30.727 6 HD2 PRO 556 HD2 PRO 556 -25.768 -37.353 -28.393 7 HD3 PRO 556 HD3 PRO 556 -24.483 -38.567 -28.584 No H/Q in entry = 7 In of MODEL 2 1 H THR 557 H THR 557 -25.040 -34.916 -27.159 2 HA THR 557 HA THR 557 -24.561 -32.159 -27.992 3 HB THR 557 HB THR 557 -26.251 -34.030 -29.348 4 HG1 THR 557 HG1 THR 557 -25.451 -31.376 -29.626 5 HG23 THR 557 HG21 THR 557 -28.371 -33.085 -29.439 6 HG22 THR 557 HG22 THR 557 -27.864 -31.634 -28.573 7 HG21 THR 557 HG23 THR 557 -28.002 -33.171 -27.717 No H/Q in entry = 7 In of MODEL 2 1 H THR 558 H THR 558 -25.378 -30.641 -26.650 2 HA THR 558 HA THR 558 -25.945 -31.260 -23.972 3 HB THR 558 HB THR 558 -26.280 -28.736 -25.624 4 HG1 THR 558 HG1 THR 558 -24.726 -28.815 -23.349 5 HG22 THR 558 HG21 THR 558 -26.427 -27.788 -23.121 6 HG21 THR 558 HG22 THR 558 -27.304 -29.305 -22.913 7 HG23 THR 558 HG23 THR 558 -27.849 -28.127 -24.108 No H/Q in entry = 7 In of MODEL 2 1 H ASP 559 H ASP 559 -28.123 -30.170 -26.591 2 HA ASP 559 HA ASP 559 -30.430 -30.170 -25.139 3 HB2 ASP 559 HB2 ASP 559 -30.039 -30.943 -28.005 4 HB3 ASP 559 HB3 ASP 559 -31.616 -30.737 -27.255 No H/Q in entry = 4 In of MODEL 2 1 H GLU 560 H GLU 560 -28.949 -32.934 -26.710 2 HA GLU 560 HA GLU 560 -30.960 -34.797 -26.143 3 HB2 GLU 560 HB2 GLU 560 -28.061 -34.987 -26.791 4 HB3 GLU 560 HB3 GLU 560 -28.953 -36.427 -26.323 5 HG2 GLU 560 HG2 GLU 560 -30.424 -36.217 -28.129 6 HG3 GLU 560 HG3 GLU 560 -29.887 -34.577 -28.472 No H/Q in entry = 6 In of MODEL 2 1 H LEU 561 H LEU 561 -28.222 -33.721 -24.295 2 HA LEU 561 HA LEU 561 -28.514 -35.670 -22.212 3 HB2 LEU 561 HB2 LEU 561 -26.445 -35.151 -22.370 4 HB3 LEU 561 HB3 LEU 561 -26.750 -33.705 -23.204 5 HG LEU 561 HG LEU 561 -25.804 -34.187 -20.432 6 HD12 LEU 561 HD11 LEU 561 -24.083 -32.731 -21.387 7 HD11 LEU 561 HD12 LEU 561 -25.031 -32.610 -22.871 8 HD13 LEU 561 HD13 LEU 561 -24.358 -34.164 -22.375 9 HD23 LEU 561 HD21 LEU 561 -25.911 -31.757 -20.142 10 HD22 LEU 561 HD22 LEU 561 -27.521 -32.475 -20.238 11 HD21 LEU 561 HD23 LEU 561 -26.843 -31.633 -21.633 No H/Q in entry = 11 In of MODEL 2 1 HA MET 562 HA MET 562 -30.722 -31.938 -20.166 2 HB2 MET 562 HB2 MET 562 -30.395 -30.113 -21.788 3 HG2 MET 562 HG2 MET 562 -32.706 -29.049 -21.514 4 HE1 MET 562 HE1 MET 562 -30.751 -27.441 -21.002 5 HE3 MET 562 HE2 MET 562 -30.532 -26.803 -19.377 6 HE2 MET 562 HE3 MET 562 -32.144 -26.841 -20.082 7 H MET 562 HN MET 562 -29.648 -32.344 -22.773 8 HB3 MET 562 HB1 MET 562 -31.694 -30.779 -22.762 9 HG3 MET 562 HG1 MET 562 -33.162 -30.525 -20.661 No H/Q in entry = 9 In of MODEL 2 1 H THR 563 H THR 563 -31.917 -33.537 -23.077 2 HA THR 563 HA THR 563 -34.575 -33.819 -22.274 3 HB THR 563 HB THR 563 -32.848 -35.540 -24.023 4 HG1 THR 563 HG1 THR 563 -33.996 -33.227 -24.308 5 HG21 THR 563 HG21 THR 563 -35.757 -35.808 -23.283 6 HG23 THR 563 HG22 THR 563 -34.525 -37.067 -23.380 7 HG22 THR 563 HG23 THR 563 -35.164 -36.341 -24.856 No H/Q in entry = 7 In of MODEL 2 1 H LEU 564 H LEU 564 -31.844 -36.029 -21.734 2 HA LEU 564 HA LEU 564 -33.120 -38.095 -20.396 3 HB2 LEU 564 HB2 LEU 564 -30.407 -36.919 -20.059 4 HB3 LEU 564 HB3 LEU 564 -30.947 -38.245 -19.091 5 HG LEU 564 HG LEU 564 -29.473 -39.094 -20.685 6 HD12 LEU 564 HD11 LEU 564 -32.171 -39.604 -21.912 7 HD11 LEU 564 HD12 LEU 564 -31.513 -40.476 -20.527 8 HD13 LEU 564 HD13 LEU 564 -30.718 -40.585 -22.098 9 HD22 LEU 564 HD21 LEU 564 -29.430 -37.221 -22.079 10 HD21 LEU 564 HD22 LEU 564 -31.072 -37.547 -22.636 11 HD23 LEU 564 HD23 LEU 564 -29.761 -38.656 -23.043 No H/Q in entry = 11 In of MODEL 2 1 H VAL 565 H VAL 565 -31.428 -35.337 -18.986 2 HA VAL 565 HA VAL 565 -32.099 -35.595 -16.322 3 HB VAL 565 HB VAL 565 -31.873 -33.074 -17.956 4 HG13 VAL 565 HG11 VAL 565 -32.976 -32.382 -16.006 5 HG12 VAL 565 HG12 VAL 565 -31.274 -32.019 -15.719 6 HG11 VAL 565 HG13 VAL 565 -32.010 -33.440 -14.976 7 HG21 VAL 565 HG21 VAL 565 -29.858 -34.838 -16.587 8 HG23 VAL 565 HG22 VAL 565 -29.541 -33.107 -16.705 9 HG22 VAL 565 HG23 VAL 565 -29.777 -34.060 -18.170 No H/Q in entry = 9 In of MODEL 2 1 H ASN 566 H ASN 566 -34.046 -33.872 -18.804 2 HA ASN 566 HA ASN 566 -36.117 -33.241 -17.018 3 HB2 ASN 566 HB2 ASN 566 -36.156 -33.454 -20.002 4 HB3 ASN 566 HB3 ASN 566 -37.493 -32.849 -19.036 5 HD21 ASN 566 HD21 ASN 566 -35.984 -31.430 -21.026 6 HD22 ASN 566 HD22 ASN 566 -35.256 -30.096 -20.271 No H/Q in entry = 6 In of MODEL 2 1 H LYS 567 H LYS 567 -35.968 -36.050 -19.269 2 HA LYS 567 HA LYS 567 -38.545 -36.970 -18.588 3 HB2 LYS 567 HB2 LYS 567 -36.265 -38.031 -20.034 4 HB3 LYS 567 HB3 LYS 567 -37.077 -39.272 -19.098 5 HG2 LYS 567 HG2 LYS 567 -38.966 -39.185 -20.374 6 HG3 LYS 567 HG3 LYS 567 -38.791 -37.463 -20.713 7 HD2 LYS 567 HD2 LYS 567 -36.570 -38.460 -21.971 8 HD3 LYS 567 HD3 LYS 567 -37.686 -39.799 -22.180 9 HE2 LYS 567 HE2 LYS 567 -39.349 -38.175 -23.165 10 HE3 LYS 567 HE3 LYS 567 -38.124 -36.922 -23.068 11 HZ3 LYS 567 HZ1 LYS 567 -36.887 -37.883 -24.740 12 HZ2 LYS 567 HZ2 LYS 567 -38.471 -38.206 -25.262 13 HZ1 LYS 567 HZ3 LYS 567 -37.555 -39.426 -24.516 No H/Q in entry = 13 In of MODEL 2 1 H PHE 568 H PHE 568 -35.480 -37.212 -17.006 2 HA PHE 568 HA PHE 568 -36.093 -39.236 -15.130 3 HB2 PHE 568 HB2 PHE 568 -33.858 -38.235 -15.702 4 HB3 PHE 568 HB3 PHE 568 -34.331 -36.829 -14.769 5 HD1 PHE 568 HD1 PHE 568 -32.902 -40.089 -14.683 6 HD2 PHE 568 HD2 PHE 568 -34.931 -37.189 -12.317 7 HE1 PHE 568 HE1 PHE 568 -32.047 -41.167 -12.617 8 HE2 PHE 568 HE2 PHE 568 -34.088 -38.247 -10.261 9 HZ PHE 568 HZ PHE 568 -32.641 -40.240 -10.389 No H/Q in entry = 9 In of MODEL 2 1 H ILE 569 H ILE 569 -36.069 -35.690 -14.776 2 HA ILE 569 HA ILE 569 -37.179 -35.518 -12.278 3 HB ILE 569 HB ILE 569 -36.983 -33.696 -14.606 4 HG12 ILE 569 HG12 ILE 569 -36.125 -33.251 -11.755 5 HG13 ILE 569 HG13 ILE 569 -35.181 -34.236 -12.854 6 HG21 ILE 569 HG21 ILE 569 -38.746 -33.256 -12.245 7 HG23 ILE 569 HG22 ILE 569 -39.107 -33.064 -13.961 8 HG22 ILE 569 HG23 ILE 569 -38.039 -31.918 -13.149 9 HD11 ILE 569 HD11 ILE 569 -35.936 -31.381 -13.526 10 HD13 ILE 569 HD12 ILE 569 -34.671 -32.373 -14.251 11 HD12 ILE 569 HD13 ILE 569 -34.485 -31.773 -12.603 No H/Q in entry = 11 In of MODEL 2 1 H GLU 570 H GLU 570 -38.817 -35.817 -15.348 2 HA GLU 570 HA GLU 570 -41.511 -35.449 -14.555 3 HB2 GLU 570 HB2 GLU 570 -40.198 -37.084 -16.705 4 HB3 GLU 570 HB3 GLU 570 -41.927 -37.096 -16.471 5 HG2 GLU 570 HG2 GLU 570 -41.618 -34.502 -16.723 6 HG3 GLU 570 HG3 GLU 570 -40.160 -35.007 -17.575 No H/Q in entry = 6 In of MODEL 2 1 H GLU 571 H GLU 571 -39.648 -38.413 -15.056 2 HA GLU 571 HA GLU 571 -41.794 -40.002 -14.143 3 HB2 GLU 571 HB2 GLU 571 -39.013 -40.905 -14.809 4 HB3 GLU 571 HB3 GLU 571 -40.498 -41.845 -14.864 5 HG2 GLU 571 HG2 GLU 571 -41.316 -40.196 -16.627 6 HG3 GLU 571 HG3 GLU 571 -39.683 -39.567 -16.676 No H/Q in entry = 6 In of MODEL 2 1 H LYS 572 H LYS 572 -39.034 -38.702 -12.557 2 HA LYS 572 HA LYS 572 -39.115 -40.815 -10.568 3 HB2 LYS 572 HB2 LYS 572 -36.825 -38.979 -11.138 4 HB3 LYS 572 HB3 LYS 572 -36.812 -40.378 -10.093 5 HG2 LYS 572 HG2 LYS 572 -37.541 -40.807 -12.954 6 HG3 LYS 572 HG3 LYS 572 -35.865 -40.425 -12.589 7 HD2 LYS 572 HD2 LYS 572 -36.106 -42.299 -10.796 8 HD3 LYS 572 HD3 LYS 572 -37.492 -42.795 -11.757 9 HE2 LYS 572 HE2 LYS 572 -34.680 -42.458 -12.795 10 HE3 LYS 572 HE3 LYS 572 -35.418 -43.989 -12.365 11 HZ2 LYS 572 HZ1 LYS 572 -35.402 -42.894 -14.824 12 HZ1 LYS 572 HZ2 LYS 572 -36.944 -42.453 -14.263 13 HZ3 LYS 572 HZ3 LYS 572 -36.486 -44.088 -14.300 No H/Q in entry = 13 In of MODEL 2 1 H THR 573 H THR 573 -39.967 -37.528 -10.509 2 HA THR 573 HA THR 573 -40.878 -37.909 -7.900 3 HB THR 573 HB THR 573 -38.897 -35.633 -7.876 4 HG1 THR 573 HG1 THR 573 -38.218 -37.771 -6.327 5 HG21 THR 573 HG21 THR 573 -40.856 -35.575 -6.283 6 HG23 THR 573 HG22 THR 573 -39.288 -35.581 -5.478 7 HG22 THR 573 HG23 THR 573 -40.247 -37.059 -5.550 No H/Q in entry = 7 In of MODEL 2 1 H1 MET 1 H2 MET 1 49.961 -33.524 -59.615 2 H2 MET 1 H1 MET 1 50.768 -34.950 -59.173 3 H3 MET 1 H3 MET 1 49.455 -35.018 -60.245 4 HA MET 1 HA MET 1 48.091 -35.345 -58.547 5 HB2 MET 1 HB2 MET 1 50.485 -34.700 -56.788 6 HB3 MET 1 HB3 MET 1 48.992 -35.465 -56.243 7 HG2 MET 1 HG2 MET 1 50.301 -36.778 -58.565 8 HG3 MET 1 HG3 MET 1 51.206 -36.859 -57.053 9 HE2 MET 1 HE1 MET 1 49.715 -39.527 -55.108 10 HE1 MET 1 HE2 MET 1 50.613 -38.011 -55.017 11 HE3 MET 1 HE3 MET 1 51.077 -39.241 -56.193 No H/Q in entry = 11 In of MODEL 2 1 H ILE 2 H ILE 2 47.188 -33.250 -59.442 2 HA ILE 2 HA ILE 2 47.438 -30.974 -57.524 3 HB ILE 2 HB ILE 2 46.266 -31.011 -60.323 4 HG12 ILE 2 HG12 ILE 2 48.879 -29.785 -59.395 5 HG13 ILE 2 HG13 ILE 2 48.779 -31.380 -60.140 6 HG21 ILE 2 HG21 ILE 2 46.842 -28.788 -58.340 7 HG23 ILE 2 HG22 ILE 2 45.263 -29.286 -58.947 8 HG22 ILE 2 HG23 ILE 2 46.422 -28.517 -60.030 9 HD11 ILE 2 HD11 ILE 2 47.757 -28.828 -61.456 10 HD13 ILE 2 HD12 ILE 2 47.872 -30.421 -62.199 11 HD12 ILE 2 HD13 ILE 2 49.339 -29.534 -61.783 No H/Q in entry = 11 In of MODEL 2 1 H SER 3 H SER 3 45.657 -30.548 -56.226 2 HA SER 3 HA SER 3 43.005 -31.724 -57.015 3 HB2 SER 3 HB2 SER 3 42.654 -32.088 -54.531 4 HB3 SER 3 HB3 SER 3 43.844 -33.145 -55.280 5 HG SER 3 HG SER 3 44.178 -31.503 -53.244 No H/Q in entry = 5 In of MODEL 2 1 H GLY 4 H GLY 4 41.224 -30.428 -56.638 2 HA3 GLY 4 HA2 GLY 4 41.693 -27.751 -55.360 3 HA2 GLY 4 HA3 GLY 4 40.706 -27.946 -56.811 No H/Q in entry = 3 In of MODEL 2 1 H ILE 5 H ILE 5 38.910 -27.008 -55.463 2 HA ILE 5 HA ILE 5 37.915 -28.779 -53.297 3 HB ILE 5 HB ILE 5 37.974 -26.079 -53.548 4 HG12 ILE 5 HG12 ILE 5 37.552 -27.391 -51.492 5 HG13 ILE 5 HG13 ILE 5 36.383 -26.083 -51.647 6 HG22 ILE 5 HG21 ILE 5 35.106 -26.851 -54.180 7 HG21 ILE 5 HG22 ILE 5 36.238 -26.301 -55.411 8 HG23 ILE 5 HG23 ILE 5 35.788 -25.230 -54.080 9 HD13 ILE 5 HD11 ILE 5 35.093 -28.000 -51.033 10 HD12 ILE 5 HD12 ILE 5 35.942 -29.038 -52.173 11 HD11 ILE 5 HD13 ILE 5 34.833 -27.805 -52.763 No H/Q in entry = 11 In of MODEL 2 1 H LEU 6 H LEU 6 37.384 -28.345 -56.663 2 HA LEU 6 HA LEU 6 35.712 -29.131 -58.091 3 HB2 LEU 6 HB2 LEU 6 35.182 -31.066 -55.813 4 HB3 LEU 6 HB3 LEU 6 34.745 -31.296 -57.501 5 HG LEU 6 HG LEU 6 36.731 -32.561 -57.214 6 HD12 LEU 6 HD11 LEU 6 37.838 -29.945 -58.247 7 HD11 LEU 6 HD12 LEU 6 36.659 -30.874 -59.173 8 HD13 LEU 6 HD13 LEU 6 38.226 -31.580 -58.766 9 HD22 LEU 6 HD21 LEU 6 38.559 -31.980 -55.849 10 HD21 LEU 6 HD22 LEU 6 37.255 -31.169 -54.986 11 HD23 LEU 6 HD23 LEU 6 38.305 -30.247 -56.051 No H/Q in entry = 11 In of MODEL 2 1 H ALA 7 H ALA 7 34.144 -27.581 -58.297 2 HA ALA 7 HA ALA 7 32.180 -27.176 -56.094 3 HB2 ALA 7 HB1 ALA 7 31.515 -25.192 -57.319 4 HB3 ALA 7 HB2 ALA 7 32.452 -25.698 -58.723 5 HB1 ALA 7 HB3 ALA 7 33.277 -25.223 -57.238 No H/Q in entry = 5 In of MODEL 2 1 H SER 8 H SER 8 32.446 -28.566 -59.294 2 HA SER 8 HA SER 8 29.618 -29.481 -59.060 3 HB2 SER 8 HB2 SER 8 29.199 -27.780 -60.559 4 HB3 SER 8 HB3 SER 8 30.813 -27.848 -61.269 5 HG SER 8 HG SER 8 28.526 -29.295 -61.853 No H/Q in entry = 5 In of MODEL 2 1 HA PRO 9 HA PRO 9 32.000 -33.127 -60.313 2 HB2 PRO 9 HB2 PRO 9 30.105 -35.013 -59.986 3 HB3 PRO 9 HB3 PRO 9 30.822 -34.181 -58.588 4 HG2 PRO 9 HG2 PRO 9 28.211 -33.660 -59.954 5 HG3 PRO 9 HG3 PRO 9 28.569 -33.755 -58.219 6 HD2 PRO 9 HD2 PRO 9 28.368 -31.380 -59.600 7 HD3 PRO 9 HD3 PRO 9 29.362 -31.572 -58.139 No H/Q in entry = 7 In of MODEL 2 1 H GLY 10 H GLY 10 32.269 -34.214 -62.282 2 HA3 GLY 10 HA2 GLY 10 30.402 -35.063 -64.135 3 HA2 GLY 10 HA3 GLY 10 30.622 -33.355 -64.528 No H/Q in entry = 3 In of MODEL 2 1 H ILE 11 H ILE 11 31.575 -34.172 -66.593 2 HA ILE 11 HA ILE 11 34.492 -34.462 -66.302 3 HB ILE 11 HB ILE 11 33.090 -36.416 -68.136 4 HG12 ILE 11 HG12 ILE 11 32.409 -36.770 -65.696 5 HG13 ILE 11 HG13 ILE 11 33.223 -38.133 -66.460 6 HG21 ILE 11 HG21 ILE 11 35.897 -36.076 -67.015 7 HG23 ILE 11 HG22 ILE 11 35.391 -36.136 -68.702 8 HG22 ILE 11 HG23 ILE 11 35.356 -37.595 -67.714 9 HD13 ILE 11 HD11 ILE 11 35.007 -38.028 -65.046 10 HD12 ILE 11 HD12 ILE 11 33.999 -36.998 -64.033 11 HD11 ILE 11 HD13 ILE 11 35.119 -36.275 -65.181 No H/Q in entry = 11 In of MODEL 2 1 H ALA 12 H ALA 12 35.607 -33.741 -68.249 2 HA ALA 12 HA ALA 12 33.951 -32.946 -70.549 3 HB3 ALA 12 HB1 ALA 12 35.502 -30.708 -69.331 4 HB1 ALA 12 HB2 ALA 12 33.956 -31.134 -68.595 5 HB2 ALA 12 HB3 ALA 12 34.025 -30.659 -70.291 No H/Q in entry = 5 In of MODEL 2 1 H PHE 13 H PHE 13 35.199 -32.273 -72.372 2 HA PHE 13 HA PHE 13 38.168 -32.619 -72.159 3 HB2 PHE 13 HB2 PHE 13 36.578 -33.650 -74.521 4 HB3 PHE 13 HB3 PHE 13 38.232 -34.038 -74.061 5 HD1 PHE 13 HD1 PHE 13 34.697 -34.310 -72.811 6 HD2 PHE 13 HD2 PHE 13 38.652 -36.020 -72.861 7 HE1 PHE 13 HE1 PHE 13 33.856 -36.296 -71.571 8 HE2 PHE 13 HE2 PHE 13 37.810 -37.999 -71.616 9 HZ PHE 13 HZ PHE 13 35.414 -38.137 -70.973 No H/Q in entry = 9 In of MODEL 2 1 H GLY 14 H GLY 14 39.175 -30.780 -73.124 2 HA3 GLY 14 HA2 GLY 14 38.290 -29.690 -75.600 3 HA2 GLY 14 HA3 GLY 14 37.611 -28.719 -74.298 No H/Q in entry = 3 In of MODEL 2 1 H LYS 15 H LYS 15 39.168 -27.312 -75.792 2 HA LYS 15 HA LYS 15 42.002 -27.416 -75.061 3 HB2 LYS 15 HB2 LYS 15 40.369 -25.369 -76.574 4 HB3 LYS 15 HB3 LYS 15 42.108 -25.238 -76.322 5 HG2 LYS 15 HG2 LYS 15 42.429 -27.419 -77.435 6 HG3 LYS 15 HG3 LYS 15 40.690 -27.537 -77.693 7 HD2 LYS 15 HD2 LYS 15 40.742 -25.485 -79.055 8 HD3 LYS 15 HD3 LYS 15 42.485 -25.359 -78.804 9 HE2 LYS 15 HE2 LYS 15 42.766 -27.598 -79.868 10 HE3 LYS 15 HE3 LYS 15 41.032 -27.632 -80.198 11 HZ2 LYS 15 HZ1 LYS 15 42.969 -25.616 -81.202 12 HZ1 LYS 15 HZ2 LYS 15 41.296 -25.587 -81.485 13 HZ3 LYS 15 HZ3 LYS 15 42.244 -26.847 -82.115 No H/Q in entry = 13 In of MODEL 2 1 H ALA 16 H ALA 16 43.094 -25.606 -73.940 2 HA ALA 16 HA ALA 16 41.367 -24.573 -71.718 3 HB1 ALA 16 HB1 ALA 16 44.345 -24.403 -71.554 4 HB2 ALA 16 HB2 ALA 16 43.630 -26.015 -71.538 5 HB3 ALA 16 HB3 ALA 16 43.163 -24.832 -70.314 No H/Q in entry = 5 In of MODEL 2 1 H LEU 17 H LEU 17 40.965 -22.455 -71.532 2 HA LEU 17 HA LEU 17 42.431 -20.552 -73.299 3 HB2 LEU 17 HB2 LEU 17 39.937 -20.583 -73.448 4 HB3 LEU 17 HB3 LEU 17 39.851 -20.193 -71.731 5 HG LEU 17 HG LEU 17 41.072 -18.077 -72.161 6 HD12 LEU 17 HD11 LEU 17 41.085 -17.415 -74.692 7 HD11 LEU 17 HD12 LEU 17 41.032 -19.156 -74.978 8 HD13 LEU 17 HD13 LEU 17 42.379 -18.442 -74.088 9 HD22 LEU 17 HD21 LEU 17 38.615 -18.088 -72.170 10 HD21 LEU 17 HD22 LEU 17 38.607 -18.523 -73.877 11 HD23 LEU 17 HD23 LEU 17 39.218 -16.949 -73.371 No H/Q in entry = 11 In of MODEL 2 1 H LEU 18 H LEU 18 43.748 -18.982 -72.342 2 HA LEU 18 HA LEU 18 43.817 -18.911 -69.343 3 HB2 LEU 18 HB2 LEU 18 45.834 -19.916 -70.372 4 HB3 LEU 18 HB3 LEU 18 46.066 -18.452 -71.324 5 HG LEU 18 HG LEU 18 46.340 -17.141 -69.253 6 HD12 LEU 18 HD11 LEU 18 46.728 -18.650 -67.133 7 HD11 LEU 18 HD12 LEU 18 45.689 -19.791 -67.985 8 HD13 LEU 18 HD13 LEU 18 45.091 -18.181 -67.574 9 HD22 LEU 18 HD21 LEU 18 48.559 -17.770 -68.903 10 HD21 LEU 18 HD22 LEU 18 48.231 -18.585 -70.432 11 HD23 LEU 18 HD23 LEU 18 48.188 -19.492 -68.920 No H/Q in entry = 11 In of MODEL 2 1 H LEU 19 H LEU 19 43.199 -17.041 -68.505 2 HA LEU 19 HA LEU 19 42.993 -14.625 -70.201 3 HB2 LEU 19 HB2 LEU 19 42.319 -14.872 -67.261 4 HB3 LEU 19 HB3 LEU 19 41.759 -13.638 -68.391 5 HG LEU 19 HG LEU 19 41.023 -16.573 -68.350 6 HD12 LEU 19 HD11 LEU 19 39.243 -14.130 -68.356 7 HD11 LEU 19 HD12 LEU 19 39.842 -14.855 -66.864 8 HD13 LEU 19 HD13 LEU 19 38.808 -15.787 -67.943 9 HD22 LEU 19 HD21 LEU 19 41.264 -16.148 -70.661 10 HD21 LEU 19 HD22 LEU 19 40.688 -14.486 -70.509 11 HD23 LEU 19 HD23 LEU 19 39.555 -15.832 -70.364 No H/Q in entry = 11 In of MODEL 2 1 H LYS 20 H LYS 20 44.974 -13.671 -70.504 2 HA LYS 20 HA LYS 20 46.803 -13.294 -68.176 3 HB2 LYS 20 HB2 LYS 20 47.118 -12.763 -71.151 4 HB3 LYS 20 HB3 LYS 20 48.360 -12.438 -69.948 5 HG2 LYS 20 HG2 LYS 20 48.631 -14.743 -69.443 6 HG3 LYS 20 HG3 LYS 20 47.138 -15.183 -70.274 7 HD2 LYS 20 HD2 LYS 20 48.069 -14.909 -72.399 8 HD3 LYS 20 HD3 LYS 20 49.331 -13.818 -71.832 9 HE2 LYS 20 HE2 LYS 20 50.306 -15.827 -70.566 10 HE3 LYS 20 HE3 LYS 20 49.194 -16.818 -71.501 11 HZ2 LYS 20 HZ1 LYS 20 51.400 -16.627 -72.522 12 HZ1 LYS 20 HZ2 LYS 20 51.171 -14.951 -72.680 13 HZ3 LYS 20 HZ3 LYS 20 50.167 -16.025 -73.522 No H/Q in entry = 13 In of MODEL 2 1 H GLU 21 H GLU 21 47.053 -11.323 -67.234 2 HA GLU 21 HA GLU 21 45.950 -8.946 -68.599 3 HB2 GLU 21 HB2 GLU 21 45.674 -9.456 -65.634 4 HB3 GLU 21 HB3 GLU 21 44.921 -8.175 -66.585 5 HG2 GLU 21 HG2 GLU 21 43.867 -10.131 -67.949 6 HG3 GLU 21 HG3 GLU 21 44.286 -11.120 -66.553 No H/Q in entry = 6 In of MODEL 2 1 H ASP 22 H ASP 22 47.319 -7.277 -68.666 2 HA ASP 22 HA ASP 22 49.927 -7.509 -67.449 3 HB2 ASP 22 HB2 ASP 22 48.799 -5.101 -68.881 4 HB3 ASP 22 HB3 ASP 22 50.492 -5.552 -68.686 No H/Q in entry = 4 In of MODEL 2 1 H GLU 23 H GLU 23 50.844 -6.088 -65.928 2 HA GLU 23 HA GLU 23 49.087 -5.265 -63.836 3 HB2 GLU 23 HB2 GLU 23 52.037 -4.771 -64.304 4 HB3 GLU 23 HB3 GLU 23 51.179 -4.322 -62.828 5 HG2 GLU 23 HG2 GLU 23 51.272 -7.136 -63.948 6 HG3 GLU 23 HG3 GLU 23 52.337 -6.545 -62.673 No H/Q in entry = 6 In of MODEL 2 1 H ILE 24 H ILE 24 48.334 -3.274 -63.291 2 HA ILE 24 HA ILE 24 48.374 -1.231 -65.341 3 HB ILE 24 HB ILE 24 47.151 -1.114 -62.576 4 HG12 ILE 24 HG12 ILE 24 45.878 -1.957 -65.200 5 HG13 ILE 24 HG13 ILE 24 46.381 -3.084 -63.936 6 HG23 ILE 24 HG21 ILE 24 45.783 0.643 -63.498 7 HG22 ILE 24 HG22 ILE 24 46.398 0.343 -65.125 8 HG21 ILE 24 HG23 ILE 24 47.458 1.030 -63.891 9 HD11 ILE 24 HD11 ILE 24 44.391 -0.829 -63.546 10 HD13 ILE 24 HD12 ILE 24 44.849 -2.035 -62.344 11 HD12 ILE 24 HD13 ILE 24 43.957 -2.521 -63.785 No H/Q in entry = 11 In of MODEL 2 1 H VAL 25 H VAL 25 49.819 0.351 -65.476 2 HA VAL 25 HA VAL 25 51.658 0.827 -63.256 3 HB VAL 25 HB VAL 25 51.597 2.001 -66.049 4 HG13 VAL 25 HG11 VAL 25 52.808 3.461 -64.561 5 HG12 VAL 25 HG12 VAL 25 54.001 2.535 -65.473 6 HG11 VAL 25 HG13 VAL 25 53.631 2.098 -63.805 7 HG23 VAL 25 HG21 VAL 25 53.356 -0.183 -64.886 8 HG22 VAL 25 HG22 VAL 25 53.337 0.386 -66.557 9 HG21 VAL 25 HG23 VAL 25 51.949 -0.490 -65.906 No H/Q in entry = 9 In of MODEL 2 1 H ILE 26 H ILE 26 51.597 2.552 -61.942 2 HA ILE 26 HA ILE 26 49.658 4.696 -62.577 3 HB ILE 26 HB ILE 26 50.543 3.769 -59.835 4 HG12 ILE 26 HG12 ILE 26 49.216 2.029 -60.948 5 HG13 ILE 26 HG13 ILE 26 48.245 2.813 -59.701 6 HG22 ILE 26 HG21 ILE 26 48.538 5.137 -59.153 7 HG21 ILE 26 HG22 ILE 26 48.433 5.713 -60.819 8 HG23 ILE 26 HG23 ILE 26 49.852 6.092 -59.840 9 HD11 ILE 26 HD11 ILE 26 47.533 4.403 -61.682 10 HD13 ILE 26 HD12 ILE 26 46.759 2.830 -61.490 11 HD12 ILE 26 HD13 ILE 26 48.039 3.044 -62.685 No H/Q in entry = 11 In of MODEL 2 1 H ASP 27 H ASP 27 50.496 6.658 -62.865 2 HA ASP 27 HA ASP 27 53.309 7.121 -62.225 3 HB2 ASP 27 HB2 ASP 27 51.489 9.130 -63.521 4 HB3 ASP 27 HB3 ASP 27 53.227 8.909 -63.730 No H/Q in entry = 4 In of MODEL 2 1 H ARG 28 H ARG 28 53.893 8.036 -60.374 2 HA ARG 28 HA ARG 28 51.904 9.484 -58.783 3 HB2 ARG 28 HB2 ARG 28 54.599 8.280 -58.204 4 HB3 ARG 28 HB3 ARG 28 53.885 9.455 -57.100 5 HG2 ARG 28 HG2 ARG 28 52.647 7.802 -56.205 6 HG3 ARG 28 HG3 ARG 28 51.826 7.626 -57.756 7 HD2 ARG 28 HD2 ARG 28 54.065 6.286 -58.347 8 HD3 ARG 28 HD3 ARG 28 54.066 6.031 -56.604 9 HE ARG 28 HE ARG 28 52.220 4.884 -58.514 10 HH21 ARG 28 HH11 ARG 28 50.678 3.460 -57.648 11 HH22 ARG 28 HH12 ARG 28 50.407 3.419 -55.938 12 HH11 ARG 28 HH21 ARG 28 52.759 5.872 -55.241 13 HH12 ARG 28 HH22 ARG 28 51.585 4.787 -54.576 No H/Q in entry = 13 In of MODEL 2 1 H LYS 29 H LYS 29 53.561 10.435 -61.255 2 HA LYS 29 HA LYS 29 55.169 12.592 -60.254 3 HB2 LYS 29 HB2 LYS 29 54.015 12.183 -63.026 4 HB3 LYS 29 HB3 LYS 29 55.330 13.280 -62.590 5 HG2 LYS 29 HG2 LYS 29 56.354 11.027 -61.571 6 HG3 LYS 29 HG3 LYS 29 55.340 10.304 -62.817 7 HD2 LYS 29 HD2 LYS 29 56.541 12.439 -64.128 8 HD3 LYS 29 HD3 LYS 29 57.829 11.815 -63.097 9 HE2 LYS 29 HE2 LYS 29 57.294 9.506 -63.968 10 HE3 LYS 29 HE3 LYS 29 56.196 10.262 -65.123 11 HZ1 LYS 29 HZ1 LYS 29 58.488 11.698 -65.378 12 HZ3 LYS 29 HZ2 LYS 29 57.975 10.455 -66.418 13 HZ2 LYS 29 HZ3 LYS 29 59.059 10.114 -65.155 No H/Q in entry = 13 In of MODEL 2 1 H LYS 30 H LYS 30 54.419 14.414 -59.402 2 HA LYS 30 HA LYS 30 51.707 15.154 -59.333 3 HB2 LYS 30 HB2 LYS 30 53.988 17.103 -59.036 4 HB3 LYS 30 HB3 LYS 30 52.418 17.126 -58.234 5 HG2 LYS 30 HG2 LYS 30 53.367 14.670 -57.480 6 HG3 LYS 30 HG3 LYS 30 54.857 15.613 -57.549 7 HD2 LYS 30 HD2 LYS 30 53.579 17.401 -56.200 8 HD3 LYS 30 HD3 LYS 30 52.394 16.134 -55.883 9 HE2 LYS 30 HE2 LYS 30 54.306 14.694 -55.049 10 HE3 LYS 30 HE3 LYS 30 55.333 16.124 -55.153 11 HZ2 LYS 30 HZ1 LYS 30 54.019 15.509 -52.970 12 HZ1 LYS 30 HZ2 LYS 30 52.790 16.389 -53.743 13 HZ3 LYS 30 HZ3 LYS 30 54.289 17.119 -53.424 No H/Q in entry = 13 In of MODEL 2 1 H ILE 31 H ILE 31 50.522 16.689 -60.457 2 HA ILE 31 HA ILE 31 51.623 17.414 -63.093 3 HB ILE 31 HB ILE 31 49.379 17.517 -63.890 4 HG12 ILE 31 HG12 ILE 31 48.560 17.296 -60.975 5 HG13 ILE 31 HG13 ILE 31 48.399 18.730 -61.990 6 HG23 ILE 31 HG21 ILE 31 49.367 15.267 -63.951 7 HG22 ILE 31 HG22 ILE 31 48.627 15.249 -62.347 8 HG21 ILE 31 HG23 ILE 31 50.384 15.204 -62.510 9 HD12 ILE 31 HD11 ILE 31 46.287 17.327 -61.747 10 HD11 ILE 31 HD12 ILE 31 47.110 16.080 -62.682 11 HD13 ILE 31 HD13 ILE 31 46.786 17.658 -63.404 No H/Q in entry = 11 In of MODEL 2 1 H SER 32 H SER 32 51.343 19.521 -63.916 2 HA SER 32 HA SER 32 51.486 21.590 -61.895 3 HB2 SER 32 HB2 SER 32 52.941 22.201 -63.539 4 HB3 SER 32 HB3 SER 32 52.036 21.359 -64.796 5 HG SER 32 HG SER 32 51.306 23.265 -65.278 No H/Q in entry = 5 In of MODEL 2 1 H ALA 33 H ALA 33 50.261 23.678 -62.355 2 HA ALA 33 HA ALA 33 47.458 23.231 -62.050 3 HB2 ALA 33 HB1 ALA 33 48.597 25.826 -63.098 4 HB1 ALA 33 HB2 ALA 33 48.812 25.334 -61.418 5 HB3 ALA 33 HB3 ALA 33 47.191 25.579 -62.062 No H/Q in entry = 5 In of MODEL 2 1 H ASP 34 H ASP 34 49.265 24.410 -64.928 2 HA ASP 34 HA ASP 34 47.040 24.637 -66.650 3 HB2 ASP 34 HB2 ASP 34 49.965 24.087 -67.072 4 HB3 ASP 34 HB3 ASP 34 48.876 23.878 -68.446 No H/Q in entry = 4 In of MODEL 2 1 H GLN 35 H GLN 35 48.729 21.778 -65.525 2 HA GLN 35 HA GLN 35 47.416 20.010 -67.450 3 HB2 GLN 35 HB2 GLN 35 49.262 19.644 -65.108 4 HB3 GLN 35 HB3 GLN 35 48.466 18.247 -65.843 5 HG2 GLN 35 HG2 GLN 35 49.475 18.717 -67.977 6 HG3 GLN 35 HG3 GLN 35 50.090 20.269 -67.409 7 HE21 GLN 35 HE21 GLN 35 51.944 18.476 -68.442 8 HE22 GLN 35 HE22 GLN 35 52.884 17.819 -67.187 No H/Q in entry = 8 In of MODEL 2 1 H VAL 36 H VAL 36 46.467 21.462 -64.504 2 HA VAL 36 HA VAL 36 44.944 19.307 -63.379 3 HB VAL 36 HB VAL 36 44.706 22.321 -63.190 4 HG12 VAL 36 HG11 VAL 36 43.107 21.833 -61.284 5 HG11 VAL 36 HG12 VAL 36 42.983 20.186 -61.903 6 HG13 VAL 36 HG13 VAL 36 42.445 21.545 -62.890 7 HG22 VAL 36 HG21 VAL 36 45.634 22.019 -61.016 8 HG21 VAL 36 HG22 VAL 36 46.585 20.977 -62.072 9 HG23 VAL 36 HG23 VAL 36 45.334 20.281 -61.044 No H/Q in entry = 9 In of MODEL 2 1 H ASP 37 H ASP 37 43.939 22.003 -65.501 2 HA ASP 37 HA ASP 37 41.286 21.095 -65.891 3 HB2 ASP 37 HB2 ASP 37 43.110 22.745 -67.651 4 HB3 ASP 37 HB3 ASP 37 41.410 22.466 -68.019 No H/Q in entry = 4 In of MODEL 2 1 H GLN 38 H GLN 38 44.272 20.322 -67.671 2 HA GLN 38 HA GLN 38 42.909 18.820 -69.719 3 HB2 GLN 38 HB2 GLN 38 45.776 18.609 -68.770 4 HB3 GLN 38 HB3 GLN 38 45.140 17.881 -70.245 5 HG2 GLN 38 HG2 GLN 38 44.338 20.371 -70.747 6 HG3 GLN 38 HG3 GLN 38 45.628 20.778 -69.609 7 HE21 GLN 38 HE21 GLN 38 45.330 20.942 -72.725 8 HE22 GLN 38 HE22 GLN 38 46.783 20.271 -73.286 No H/Q in entry = 8 In of MODEL 2 1 H GLU 39 H GLU 39 44.370 17.837 -66.620 2 HA GLU 39 HA GLU 39 44.033 15.027 -67.089 3 HB2 GLU 39 HB2 GLU 39 44.254 16.633 -64.540 4 HB3 GLU 39 HB3 GLU 39 44.168 14.869 -64.564 5 HG2 GLU 39 HG2 GLU 39 46.200 16.438 -66.165 6 HG3 GLU 39 HG3 GLU 39 46.523 15.833 -64.547 No H/Q in entry = 6 In of MODEL 2 1 H VAL 40 H VAL 40 41.870 17.464 -65.612 2 HA VAL 40 HA VAL 40 39.876 15.605 -64.782 3 HB VAL 40 HB VAL 40 39.712 18.510 -65.641 4 HG12 VAL 40 HG11 VAL 40 37.460 18.238 -64.231 5 HG11 VAL 40 HG12 VAL 40 37.570 16.570 -64.806 6 HG13 VAL 40 HG13 VAL 40 37.489 17.902 -65.963 7 HG22 VAL 40 HG21 VAL 40 39.687 18.958 -63.290 8 HG21 VAL 40 HG22 VAL 40 40.976 17.787 -63.540 9 HG23 VAL 40 HG23 VAL 40 39.423 17.261 -62.893 No H/Q in entry = 9 In of MODEL 2 1 H GLU 41 H GLU 41 40.295 17.394 -67.842 2 HA GLU 41 HA GLU 41 38.004 16.335 -69.162 3 HB2 GLU 41 HB2 GLU 41 39.380 18.237 -70.017 4 HB3 GLU 41 HB3 GLU 41 40.670 17.099 -70.404 5 HG2 GLU 41 HG2 GLU 41 39.368 17.525 -72.415 6 HG3 GLU 41 HG3 GLU 41 39.060 15.871 -71.890 No H/Q in entry = 6 In of MODEL 2 1 H ARG 42 H ARG 42 41.334 15.072 -68.930 2 HA ARG 42 HA ARG 42 40.942 12.853 -70.687 3 HB2 ARG 42 HB2 ARG 42 42.775 13.178 -68.292 4 HB3 ARG 42 HB3 ARG 42 42.794 11.752 -69.329 5 HG2 ARG 42 HG2 ARG 42 43.195 13.249 -71.296 6 HG3 ARG 42 HG3 ARG 42 43.322 14.612 -70.191 7 HD2 ARG 42 HD2 ARG 42 45.228 13.601 -69.072 8 HD3 ARG 42 HD3 ARG 42 45.052 12.130 -70.025 9 HE ARG 42 HE ARG 42 45.380 14.140 -71.922 10 HH21 ARG 42 HH11 ARG 42 47.417 14.709 -72.728 11 HH22 ARG 42 HH12 ARG 42 48.826 14.417 -71.765 12 HH11 ARG 42 HH21 ARG 42 47.065 13.042 -69.116 13 HH12 ARG 42 HH22 ARG 42 48.627 13.477 -69.725 No H/Q in entry = 13 In of MODEL 2 1 H PHE 43 H PHE 43 40.432 13.219 -67.196 2 HA PHE 43 HA PHE 43 39.542 10.554 -66.687 3 HB2 PHE 43 HB2 PHE 43 40.089 12.136 -64.871 4 HB3 PHE 43 HB3 PHE 43 38.727 13.157 -65.340 5 HD1 PHE 43 HD1 PHE 43 39.663 9.807 -64.009 6 HD2 PHE 43 HD2 PHE 43 36.492 12.643 -64.684 7 HE1 PHE 43 HE1 PHE 43 38.146 8.457 -62.585 8 HE2 PHE 43 HE2 PHE 43 34.972 11.280 -63.259 9 HZ PHE 43 HZ PHE 43 35.799 9.183 -62.213 No H/Q in entry = 9 In of MODEL 2 1 H LEU 44 H LEU 44 37.702 13.530 -67.450 2 HA LEU 44 HA LEU 44 35.147 12.278 -67.551 3 HB2 LEU 44 HB2 LEU 44 35.430 14.720 -67.439 4 HB3 LEU 44 HB3 LEU 44 36.194 14.717 -69.024 5 HG LEU 44 HG LEU 44 34.025 13.769 -69.956 6 HD12 LEU 44 HD11 LEU 44 31.996 14.306 -68.437 7 HD11 LEU 44 HD12 LEU 44 33.143 14.303 -67.109 8 HD13 LEU 44 HD13 LEU 44 32.915 12.849 -68.070 9 HD23 LEU 44 HD21 LEU 44 32.803 15.993 -69.731 10 HD22 LEU 44 HD22 LEU 44 34.469 16.096 -70.302 11 HD21 LEU 44 HD23 LEU 44 34.086 16.486 -68.625 No H/Q in entry = 11 In of MODEL 2 1 H SER 45 H SER 45 37.579 12.876 -70.105 2 HA SER 45 HA SER 45 36.023 11.738 -72.234 3 HB2 SER 45 HB2 SER 45 38.028 13.111 -72.633 4 HB3 SER 45 HB3 SER 45 39.029 11.846 -71.934 5 HG SER 45 HG SER 45 37.451 11.760 -74.287 No H/Q in entry = 5 In of MODEL 2 1 H GLY 46 H GLY 46 38.431 10.317 -70.019 2 HA3 GLY 46 HA2 GLY 46 38.272 7.659 -71.153 3 HA2 GLY 46 HA3 GLY 46 38.932 8.058 -69.563 No H/Q in entry = 3 In of MODEL 2 1 H ARG 47 H ARG 47 36.648 9.337 -68.489 2 HA ARG 47 HA ARG 47 35.136 7.084 -67.547 3 HB2 ARG 47 HB2 ARG 47 35.488 9.217 -66.278 4 HB3 ARG 47 HB3 ARG 47 34.438 10.034 -67.437 5 HG2 ARG 47 HG2 ARG 47 33.420 7.569 -66.093 6 HG3 ARG 47 HG3 ARG 47 33.451 9.076 -65.174 7 HD2 ARG 47 HD2 ARG 47 32.421 9.574 -67.808 8 HD3 ARG 47 HD3 ARG 47 31.529 8.247 -67.103 9 HE ARG 47 HE ARG 47 32.085 10.932 -65.733 10 HH21 ARG 47 HH11 ARG 47 30.401 11.863 -64.650 11 HH22 ARG 47 HH12 ARG 47 28.842 11.109 -64.675 12 HH11 ARG 47 HH21 ARG 47 29.855 8.472 -66.677 13 HH12 ARG 47 HH22 ARG 47 28.533 9.194 -65.827 No H/Q in entry = 13 In of MODEL 2 1 H ALA 48 H ALA 48 34.732 9.438 -70.109 2 HA ALA 48 HA ALA 48 31.984 8.989 -70.686 3 HB2 ALA 48 HB1 ALA 48 33.514 10.826 -71.666 4 HB3 ALA 48 HB2 ALA 48 32.428 10.036 -72.812 5 HB1 ALA 48 HB3 ALA 48 34.131 9.585 -72.756 No H/Q in entry = 5 In of MODEL 2 1 H LYS 49 H LYS 49 34.911 7.268 -71.779 2 HA LYS 49 HA LYS 49 33.513 5.512 -73.564 3 HB2 LYS 49 HB2 LYS 49 36.069 5.910 -73.258 4 HB3 LYS 49 HB3 LYS 49 35.944 4.655 -72.028 5 HG2 LYS 49 HG2 LYS 49 35.022 3.085 -73.651 6 HG3 LYS 49 HG3 LYS 49 34.988 4.328 -74.896 7 HD2 LYS 49 HD2 LYS 49 37.478 4.429 -74.869 8 HD3 LYS 49 HD3 LYS 49 37.519 3.216 -73.599 9 HE2 LYS 49 HE2 LYS 49 37.990 2.362 -75.940 10 HE3 LYS 49 HE3 LYS 49 36.684 1.526 -75.103 11 HZ1 LYS 49 HZ1 LYS 49 36.215 3.805 -76.926 12 HZ3 LYS 49 HZ2 LYS 49 35.080 2.686 -76.332 13 HZ2 LYS 49 HZ3 LYS 49 36.248 2.193 -77.458 No H/Q in entry = 13 In of MODEL 2 1 H ALA 50 H ALA 50 34.971 4.454 -70.442 2 HA ALA 50 HA ALA 50 33.610 2.178 -69.984 3 HB1 ALA 50 HB1 ALA 50 33.627 4.103 -67.688 4 HB3 ALA 50 HB2 ALA 50 35.164 3.613 -68.393 5 HB2 ALA 50 HB3 ALA 50 34.077 2.402 -67.724 No H/Q in entry = 5 In of MODEL 2 1 H SER 51 H SER 51 32.113 5.388 -69.700 2 HA SER 51 HA SER 51 29.727 4.537 -68.406 3 HB2 SER 51 HB2 SER 51 30.192 6.915 -68.754 4 HB3 SER 51 HB3 SER 51 30.122 6.698 -70.500 5 HG SER 51 HG SER 51 28.139 7.445 -69.795 No H/Q in entry = 5 In of MODEL 2 1 H ALA 52 H ALA 52 30.342 4.967 -71.886 2 HA ALA 52 HA ALA 52 27.921 3.642 -72.681 3 HB1 ALA 52 HB1 ALA 52 30.463 4.127 -74.251 4 HB3 ALA 52 HB2 ALA 52 29.106 5.246 -74.120 5 HB2 ALA 52 HB3 ALA 52 28.894 3.698 -74.937 No H/Q in entry = 5 In of MODEL 2 1 H GLN 53 H GLN 53 31.278 2.439 -72.363 2 HA GLN 53 HA GLN 53 30.678 -0.138 -73.515 3 HB2 GLN 53 HB2 GLN 53 33.004 0.769 -73.212 4 HB3 GLN 53 HB3 GLN 53 32.852 0.442 -71.489 5 HG2 GLN 53 HG2 GLN 53 32.500 -1.935 -71.936 6 HG3 GLN 53 HG3 GLN 53 32.536 -1.635 -73.673 7 HE21 GLN 53 HE21 GLN 53 34.414 -3.413 -72.419 8 HE22 GLN 53 HE22 GLN 53 35.958 -2.720 -72.538 No H/Q in entry = 8 In of MODEL 2 1 H LEU 54 H LEU 54 30.627 1.045 -70.151 2 HA LEU 54 HA LEU 54 30.066 -1.498 -68.961 3 HB2 LEU 54 HB2 LEU 54 29.004 -0.099 -67.114 4 HB3 LEU 54 HB3 LEU 54 30.685 0.280 -67.470 5 HG LEU 54 HG LEU 54 29.598 2.016 -69.158 6 HD11 LEU 54 HD11 LEU 54 27.409 1.453 -67.141 7 HD13 LEU 54 HD12 LEU 54 27.299 1.378 -68.901 8 HD12 LEU 54 HD13 LEU 54 27.484 2.935 -68.094 9 HD23 LEU 54 HD21 LEU 54 29.370 3.647 -67.110 10 HD22 LEU 54 HD22 LEU 54 30.950 2.937 -67.446 11 HD21 LEU 54 HD23 LEU 54 29.936 2.273 -66.164 No H/Q in entry = 11 In of MODEL 2 1 H GLU 55 H GLU 55 27.985 0.998 -70.338 2 HA GLU 55 HA GLU 55 25.490 -0.186 -69.634 3 HB2 GLU 55 HB2 GLU 55 25.784 2.126 -70.553 4 HB3 GLU 55 HB3 GLU 55 26.113 1.409 -72.130 5 HG2 GLU 55 HG2 GLU 55 23.910 0.369 -72.166 6 HG3 GLU 55 HG3 GLU 55 23.572 0.970 -70.541 No H/Q in entry = 6 In of MODEL 2 1 H THR 56 H THR 56 27.666 -0.746 -72.387 2 HA THR 56 HA THR 56 25.890 -2.411 -73.884 3 HB THR 56 HB THR 56 28.022 -3.295 -74.914 4 HG1 THR 56 HG1 THR 56 29.415 -1.412 -73.395 5 HG22 THR 56 HG21 THR 56 28.444 -0.343 -74.717 6 HG21 THR 56 HG22 THR 56 26.883 -0.868 -75.338 7 HG23 THR 56 HG23 THR 56 28.365 -1.360 -76.151 No H/Q in entry = 7 In of MODEL 2 1 H ILE 57 H ILE 57 28.259 -3.145 -71.333 2 HA ILE 57 HA ILE 57 27.992 -5.985 -71.437 3 HB ILE 57 HB ILE 57 28.712 -4.174 -69.113 4 HG12 ILE 57 HG12 ILE 57 30.452 -5.863 -70.936 5 HG13 ILE 57 HG13 ILE 57 30.159 -4.146 -71.197 6 HG23 ILE 57 HG21 ILE 57 28.061 -6.270 -68.165 7 HG22 ILE 57 HG22 ILE 57 29.820 -6.333 -68.290 8 HG21 ILE 57 HG23 ILE 57 28.822 -7.179 -69.475 9 HD12 ILE 57 HD11 ILE 57 31.761 -5.492 -69.029 10 HD11 ILE 57 HD12 ILE 57 30.993 -3.950 -68.654 11 HD13 ILE 57 HD13 ILE 57 32.160 -4.055 -69.971 No H/Q in entry = 11 In of MODEL 2 1 H LYS 58 H LYS 58 26.176 -3.500 -69.684 2 HA LYS 58 HA LYS 58 24.604 -5.132 -67.997 3 HB2 LYS 58 HB2 LYS 58 24.611 -2.695 -67.839 4 HB3 LYS 58 HB3 LYS 58 23.953 -2.557 -69.464 5 HG2 LYS 58 HG2 LYS 58 22.454 -4.024 -67.287 6 HG3 LYS 58 HG3 LYS 58 22.310 -2.286 -67.488 7 HD2 LYS 58 HD2 LYS 58 21.970 -3.136 -70.066 8 HD3 LYS 58 HD3 LYS 58 21.238 -4.467 -69.172 9 HE2 LYS 58 HE2 LYS 58 19.603 -2.650 -69.754 10 HE3 LYS 58 HE3 LYS 58 19.730 -2.922 -68.017 11 HZ3 LYS 58 HZ1 LYS 58 20.549 -0.893 -67.696 12 HZ2 LYS 58 HZ2 LYS 58 20.041 -0.537 -69.278 13 HZ1 LYS 58 HZ3 LYS 58 21.643 -1.020 -68.988 No H/Q in entry = 13 In of MODEL 2 1 H THR 59 H THR 59 23.842 -3.955 -71.288 2 HA THR 59 HA THR 59 21.361 -5.263 -71.552 3 HB THR 59 HB THR 59 21.733 -5.018 -74.014 4 HG1 THR 59 HG1 THR 59 23.733 -4.152 -74.653 5 HG23 THR 59 HG21 THR 59 21.818 -2.627 -74.029 6 HG22 THR 59 HG22 THR 59 22.780 -2.574 -72.549 7 HG21 THR 59 HG23 THR 59 21.087 -3.063 -72.483 No H/Q in entry = 7 In of MODEL 2 1 H LYS 60 H LYS 60 24.623 -6.529 -72.064 2 HA LYS 60 HA LYS 60 23.756 -8.970 -73.353 3 HB2 LYS 60 HB2 LYS 60 26.290 -7.946 -72.187 4 HB3 LYS 60 HB3 LYS 60 26.107 -9.702 -72.230 5 HG2 LYS 60 HG2 LYS 60 27.150 -8.932 -74.307 6 HG3 LYS 60 HG3 LYS 60 25.538 -9.568 -74.640 7 HD2 LYS 60 HD2 LYS 60 24.611 -7.343 -74.771 8 HD3 LYS 60 HD3 LYS 60 26.120 -6.631 -74.197 9 HE2 LYS 60 HE2 LYS 60 26.066 -6.351 -76.595 10 HE3 LYS 60 HE3 LYS 60 27.256 -7.600 -76.232 11 HZ3 LYS 60 HZ1 LYS 60 26.066 -8.648 -77.842 12 HZ2 LYS 60 HZ2 LYS 60 24.615 -7.845 -77.470 13 HZ1 LYS 60 HZ3 LYS 60 25.154 -9.129 -76.495 No H/Q in entry = 13 In of MODEL 2 1 H ALA 61 H ALA 61 24.337 -8.012 -70.016 2 HA ALA 61 HA ALA 61 24.082 -10.628 -68.869 3 HB3 ALA 61 HB1 ALA 61 24.629 -8.042 -67.937 4 HB2 ALA 61 HB2 ALA 61 24.507 -9.498 -66.955 5 HB1 ALA 61 HB3 ALA 61 23.098 -8.457 -67.166 No H/Q in entry = 5 In of MODEL 2 1 H GLY 62 H GLY 62 21.715 -8.024 -69.459 2 HA3 GLY 62 HA2 GLY 62 19.484 -9.301 -68.268 3 HA2 GLY 62 HA3 GLY 62 19.381 -8.095 -69.547 No H/Q in entry = 3 In of MODEL 2 1 H GLU 63 H GLU 63 20.485 -9.328 -71.706 2 HA GLU 63 HA GLU 63 18.413 -11.200 -72.438 3 HB2 GLU 63 HB2 GLU 63 19.624 -9.665 -74.029 4 HB3 GLU 63 HB3 GLU 63 21.037 -10.707 -73.868 5 HG2 GLU 63 HG2 GLU 63 19.745 -12.624 -74.683 6 HG3 GLU 63 HG3 GLU 63 18.303 -11.618 -74.808 No H/Q in entry = 6 In of MODEL 2 1 H THR 64 H THR 64 21.904 -11.584 -71.738 2 HA THR 64 HA THR 64 22.014 -14.376 -72.223 3 HB THR 64 HB THR 64 23.688 -12.670 -70.355 4 HG1 THR 64 HG1 THR 64 24.371 -11.829 -72.127 5 HG21 THR 64 HG21 THR 64 23.735 -15.474 -70.997 6 HG23 THR 64 HG22 THR 64 24.797 -14.573 -69.911 7 HG22 THR 64 HG23 THR 64 25.190 -14.705 -71.627 No H/Q in entry = 7 In of MODEL 2 1 H PHE 65 H PHE 65 22.103 -12.794 -68.985 2 HA PHE 65 HA PHE 65 21.190 -15.368 -67.814 3 HB2 PHE 65 HB2 PHE 65 22.639 -12.973 -66.820 4 HB3 PHE 65 HB3 PHE 65 21.661 -13.865 -65.655 5 HD1 PHE 65 HD1 PHE 65 24.750 -13.794 -67.518 6 HD2 PHE 65 HD2 PHE 65 22.000 -16.421 -65.485 7 HE1 PHE 65 HE1 PHE 65 26.512 -15.545 -67.386 8 HE2 PHE 65 HE2 PHE 65 23.767 -18.165 -65.357 9 HZ PHE 65 HZ PHE 65 26.021 -17.726 -66.305 No H/Q in entry = 9 In of MODEL 2 1 H GLY 66 H GLY 66 20.201 -11.894 -67.633 2 HA3 GLY 66 HA2 GLY 66 17.572 -11.917 -67.943 3 HA2 GLY 66 HA3 GLY 66 17.624 -12.823 -66.435 No H/Q in entry = 3 In of MODEL 2 1 H GLU 67 H GLU 67 16.252 -10.950 -65.802 2 HA GLU 67 HA GLU 67 17.377 -8.304 -65.471 3 HB2 GLU 67 HB2 GLU 67 14.887 -8.974 -65.498 4 HB3 GLU 67 HB3 GLU 67 15.124 -9.445 -63.815 5 HG2 GLU 67 HG2 GLU 67 14.396 -7.211 -63.637 6 HG3 GLU 67 HG3 GLU 67 16.149 -7.069 -63.526 No H/Q in entry = 6 In of MODEL 2 1 H GLU 68 H GLU 68 17.515 -11.234 -63.615 2 HA GLU 68 HA GLU 68 18.104 -10.184 -61.040 3 HB2 GLU 68 HB2 GLU 68 19.259 -12.414 -60.714 4 HB3 GLU 68 HB3 GLU 68 17.593 -12.527 -61.278 5 HG2 GLU 68 HG2 GLU 68 18.386 -12.806 -63.595 6 HG3 GLU 68 HG3 GLU 68 20.058 -12.693 -63.041 No H/Q in entry = 6 In of MODEL 2 1 H LYS 69 H LYS 69 20.129 -10.784 -63.865 2 HA LYS 69 HA LYS 69 22.545 -9.870 -62.400 3 HB2 LYS 69 HB2 LYS 69 22.109 -11.192 -65.067 4 HB3 LYS 69 HB3 LYS 69 23.653 -10.471 -64.641 5 HG2 LYS 69 HG2 LYS 69 22.353 -12.420 -62.751 6 HG3 LYS 69 HG3 LYS 69 23.224 -13.025 -64.157 7 HD2 LYS 69 HD2 LYS 69 25.236 -11.716 -63.415 8 HD3 LYS 69 HD3 LYS 69 24.345 -11.218 -61.981 9 HE2 LYS 69 HE2 LYS 69 25.760 -13.130 -61.423 10 HE3 LYS 69 HE3 LYS 69 24.067 -13.605 -61.346 11 HZ3 LYS 69 HZ1 LYS 69 24.348 -15.053 -62.993 12 HZ2 LYS 69 HZ2 LYS 69 26.022 -14.831 -62.802 13 HZ1 LYS 69 HZ3 LYS 69 25.169 -13.931 -63.963 No H/Q in entry = 13 In of MODEL 2 1 H GLU 70 H GLU 70 20.229 -8.745 -64.710 2 HA GLU 70 HA GLU 70 21.857 -6.780 -66.011 3 HB2 GLU 70 HB2 GLU 70 19.811 -7.270 -67.063 4 HB3 GLU 70 HB3 GLU 70 18.895 -7.090 -65.574 5 HG2 GLU 70 HG2 GLU 70 20.417 -4.734 -66.635 6 HG3 GLU 70 HG3 GLU 70 18.873 -5.167 -67.370 No H/Q in entry = 6 In of MODEL 2 1 H ALA 71 H ALA 71 19.721 -6.586 -63.163 2 HA ALA 71 HA ALA 71 20.099 -3.762 -62.798 3 HB1 ALA 71 HB1 ALA 71 19.154 -5.926 -60.923 4 HB2 ALA 71 HB2 ALA 71 18.186 -4.730 -61.786 5 HB3 ALA 71 HB3 ALA 71 19.233 -4.225 -60.459 No H/Q in entry = 5 In of MODEL 2 1 H ILE 72 H ILE 72 22.033 -6.520 -61.730 2 HA ILE 72 HA ILE 72 23.416 -5.117 -59.655 3 HB ILE 72 HB ILE 72 23.663 -7.659 -60.433 4 HG12 ILE 72 HG12 ILE 72 24.552 -6.726 -58.345 5 HG13 ILE 72 HG13 ILE 72 25.773 -7.736 -59.111 6 HG22 ILE 72 HG21 ILE 72 26.164 -6.404 -61.668 7 HG21 ILE 72 HG22 ILE 72 24.774 -6.850 -62.637 8 HG23 ILE 72 HG23 ILE 72 25.648 -8.087 -61.739 9 HD13 ILE 72 HD11 ILE 72 27.024 -5.860 -58.535 10 HD12 ILE 72 HD12 ILE 72 25.708 -4.737 -58.846 11 HD11 ILE 72 HD13 ILE 72 26.567 -5.468 -60.188 No H/Q in entry = 11 In of MODEL 2 1 H PHE 73 H PHE 73 23.935 -5.184 -63.168 2 HA PHE 73 HA PHE 73 26.337 -3.594 -63.107 3 HB2 PHE 73 HB2 PHE 73 26.177 -4.401 -65.220 4 HB3 PHE 73 HB3 PHE 73 24.415 -4.492 -65.158 5 HD1 PHE 73 HD1 PHE 73 27.266 -2.593 -66.290 6 HD2 PHE 73 HD2 PHE 73 23.083 -2.311 -65.317 7 HE1 PHE 73 HE1 PHE 73 27.101 -0.499 -67.615 8 HE2 PHE 73 HE2 PHE 73 22.913 -0.220 -66.647 9 HZ PHE 73 HZ PHE 73 24.928 0.678 -67.799 No H/Q in entry = 9 In of MODEL 2 1 H GLU 74 H GLU 74 22.887 -2.724 -63.256 2 HA GLU 74 HA GLU 74 23.285 0.049 -63.727 3 HB2 GLU 74 HB2 GLU 74 21.108 -1.641 -62.608 4 HB3 GLU 74 HB3 GLU 74 21.058 0.073 -62.188 5 HG2 GLU 74 HG2 GLU 74 21.426 -0.913 -65.033 6 HG3 GLU 74 HG3 GLU 74 19.839 -0.564 -64.337 No H/Q in entry = 6 In of MODEL 2 1 H GLY 75 H GLY 75 23.281 -1.825 -60.700 2 HA3 GLY 75 HA2 GLY 75 23.508 0.423 -58.940 3 HA2 GLY 75 HA3 GLY 75 24.049 -1.212 -58.560 No H/Q in entry = 3 In of MODEL 2 1 H HIS 76 H HIS 76 25.974 -1.669 -60.444 2 HA HIS 76 HA HIS 76 28.248 -0.317 -59.386 3 HB2 HIS 76 HB2 HIS 76 27.808 -1.946 -61.893 4 HB3 HIS 76 HB3 HIS 76 29.382 -1.255 -61.497 5 HD1 HIS 76 HD1 HIS 76 29.968 -3.951 -61.384 6 HD2 HIS 76 HD2 HIS 76 27.661 -2.404 -58.273 7 HE1 HIS 76 HE1 HIS 76 30.107 -5.624 -59.484 8 HE2 HIS 76 HE2 HIS 76 28.706 -4.689 -57.589 No H/Q in entry = 8 In of MODEL 2 1 H ILE 77 H ILE 77 26.455 0.153 -62.429 2 HA ILE 77 HA ILE 77 28.102 2.331 -63.341 3 HB ILE 77 HB ILE 77 26.708 1.199 -64.957 4 HG12 ILE 77 HG12 ILE 77 25.608 3.088 -66.001 5 HG13 ILE 77 HG13 ILE 77 25.429 3.907 -64.453 6 HG21 ILE 77 HG21 ILE 77 24.957 0.553 -63.216 7 HG23 ILE 77 HG22 ILE 77 24.310 1.047 -64.782 8 HG22 ILE 77 HG23 ILE 77 24.280 2.171 -63.420 9 HD12 ILE 77 HD11 ILE 77 27.455 4.497 -66.171 10 HD11 ILE 77 HD12 ILE 77 28.238 3.200 -65.269 11 HD13 ILE 77 HD13 ILE 77 27.644 4.623 -64.421 No H/Q in entry = 11 In of MODEL 2 1 H MET 78 H MET 78 24.957 2.260 -61.587 2 HA MET 78 HA MET 78 24.635 5.057 -61.409 3 HB2 MET 78 HB2 MET 78 23.464 2.663 -60.263 4 HB3 MET 78 HB3 MET 78 23.564 3.948 -59.062 5 HG2 MET 78 HG2 MET 78 21.441 4.084 -60.298 6 HG3 MET 78 HG3 MET 78 22.444 5.491 -60.647 7 HE2 MET 78 HE1 MET 78 20.629 5.682 -62.898 8 HE1 MET 78 HE2 MET 78 19.951 4.231 -62.149 9 HE3 MET 78 HE3 MET 78 20.334 4.239 -63.868 No H/Q in entry = 9 In of MODEL 2 1 H LEU 79 H LEU 79 26.383 2.797 -59.310 2 HA LEU 79 HA LEU 79 27.035 4.711 -57.282 3 HB2 LEU 79 HB2 LEU 79 27.275 2.255 -56.994 4 HB3 LEU 79 HB3 LEU 79 28.607 2.265 -58.138 5 HG LEU 79 HG LEU 79 29.862 3.795 -56.673 6 HD11 LEU 79 HD11 LEU 79 27.316 3.747 -55.078 7 HD13 LEU 79 HD12 LEU 79 28.396 5.090 -55.420 8 HD12 LEU 79 HD13 LEU 79 28.844 3.890 -54.219 9 HD23 LEU 79 HD21 LEU 79 30.294 2.146 -54.798 10 HD22 LEU 79 HD22 LEU 79 30.354 1.431 -56.401 11 HD21 LEU 79 HD23 LEU 79 28.941 1.187 -55.385 No H/Q in entry = 11 In of MODEL 2 1 H LEU 80 H LEU 80 28.635 3.708 -60.252 2 HA LEU 80 HA LEU 80 31.046 5.160 -59.836 3 HB2 LEU 80 HB2 LEU 80 30.442 3.352 -61.633 4 HB3 LEU 80 HB3 LEU 80 29.888 4.730 -62.582 5 HG LEU 80 HG LEU 80 32.249 4.166 -63.091 6 HD13 LEU 80 HD11 LEU 80 32.952 6.382 -63.198 7 HD12 LEU 80 HD12 LEU 80 32.441 6.730 -61.546 8 HD11 LEU 80 HD13 LEU 80 31.247 6.633 -62.842 9 HD22 LEU 80 HD21 LEU 80 33.858 3.924 -61.473 10 HD21 LEU 80 HD22 LEU 80 32.459 3.510 -60.482 11 HD23 LEU 80 HD23 LEU 80 33.133 5.139 -60.419 No H/Q in entry = 11 In of MODEL 2 1 H GLU 81 H GLU 81 27.958 6.080 -61.323 2 HA GLU 81 HA GLU 81 28.951 8.739 -62.054 3 HB2 GLU 81 HB2 GLU 81 27.148 7.413 -63.302 4 HB3 GLU 81 HB3 GLU 81 26.066 7.842 -61.973 5 HG2 GLU 81 HG2 GLU 81 26.371 10.205 -62.411 6 HG3 GLU 81 HG3 GLU 81 27.620 9.866 -63.610 No H/Q in entry = 6 In of MODEL 2 1 H ASP 82 H ASP 82 28.319 7.478 -59.111 2 HA ASP 82 HA ASP 82 26.450 9.134 -57.838 3 HB2 ASP 82 HB2 ASP 82 27.937 8.880 -55.788 4 HB3 ASP 82 HB3 ASP 82 27.478 7.372 -56.576 No H/Q in entry = 4 In of MODEL 2 1 H GLU 83 H GLU 83 26.366 11.286 -57.423 2 HA GLU 83 HA GLU 83 28.206 13.124 -58.568 3 HB2 GLU 83 HB2 GLU 83 25.826 13.624 -57.938 4 HB3 GLU 83 HB3 GLU 83 26.327 13.669 -56.245 5 HG2 GLU 83 HG2 GLU 83 27.921 15.485 -56.769 6 HG3 GLU 83 HG3 GLU 83 27.425 15.423 -58.459 No H/Q in entry = 6 In of MODEL 2 1 H GLU 84 H GLU 84 28.399 11.402 -55.568 2 HA GLU 84 HA GLU 84 30.086 13.312 -54.177 3 HB2 GLU 84 HB2 GLU 84 30.400 11.593 -52.564 4 HB3 GLU 84 HB3 GLU 84 28.754 11.360 -53.153 5 HG2 GLU 84 HG2 GLU 84 29.828 9.753 -54.884 6 HG3 GLU 84 HG3 GLU 84 31.231 9.770 -53.814 No H/Q in entry = 6 In of MODEL 2 1 H LEU 85 H LEU 85 30.598 10.622 -56.353 2 HA LEU 85 HA LEU 85 33.486 10.490 -56.047 3 HB2 LEU 85 HB2 LEU 85 31.700 8.835 -57.173 4 HB3 LEU 85 HB3 LEU 85 32.234 9.679 -58.622 5 HG LEU 85 HG LEU 85 33.999 8.214 -56.636 6 HD11 LEU 85 HD11 LEU 85 32.618 6.926 -58.372 7 HD13 LEU 85 HD12 LEU 85 34.357 6.641 -58.386 8 HD12 LEU 85 HD13 LEU 85 33.630 7.702 -59.584 9 HD23 LEU 85 HD21 LEU 85 35.729 8.741 -58.545 10 HD22 LEU 85 HD22 LEU 85 35.379 9.988 -57.348 11 HD21 LEU 85 HD23 LEU 85 34.627 10.053 -58.938 No H/Q in entry = 11 In of MODEL 2 1 H GLU 86 H GLU 86 31.314 12.119 -58.315 2 HA GLU 86 HA GLU 86 33.299 13.105 -60.084 3 HB2 GLU 86 HB2 GLU 86 30.848 13.192 -60.518 4 HB3 GLU 86 HB3 GLU 86 30.697 14.439 -59.281 5 HG2 GLU 86 HG2 GLU 86 32.039 15.977 -60.535 6 HG3 GLU 86 HG3 GLU 86 32.532 14.718 -61.672 No H/Q in entry = 6 In of MODEL 2 1 H GLN 87 H GLN 87 31.863 14.624 -57.191 2 HA GLN 87 HA GLN 87 33.524 16.976 -57.348 3 HB2 GLN 87 HB2 GLN 87 31.350 16.830 -56.110 4 HB3 GLN 87 HB3 GLN 87 32.147 15.808 -54.912 5 HG2 GLN 87 HG2 GLN 87 32.155 18.106 -54.105 6 HG3 GLN 87 HG3 GLN 87 33.804 17.638 -54.515 7 HE21 GLN 87 HE21 GLN 87 31.365 18.387 -56.989 8 HE22 GLN 87 HE22 GLN 87 32.100 19.819 -57.527 No H/Q in entry = 8 In of MODEL 2 1 H GLU 88 H GLU 88 33.812 13.925 -55.508 2 HA GLU 88 HA GLU 88 36.149 14.755 -54.044 3 HB2 GLU 88 HB2 GLU 88 35.017 12.019 -54.647 4 HB3 GLU 88 HB3 GLU 88 36.394 12.290 -53.577 5 HG2 GLU 88 HG2 GLU 88 33.707 13.643 -53.222 6 HG3 GLU 88 HG3 GLU 88 34.162 12.158 -52.386 No H/Q in entry = 6 In of MODEL 2 1 H ILE 89 H ILE 89 35.783 12.938 -57.087 2 HA ILE 89 HA ILE 89 38.591 12.337 -57.323 3 HB ILE 89 HB ILE 89 36.443 11.431 -58.634 4 HG12 ILE 89 HG12 ILE 89 38.736 10.499 -58.695 5 HG13 ILE 89 HG13 ILE 89 38.004 10.499 -60.292 6 HG23 ILE 89 HG21 ILE 89 36.359 12.348 -60.913 7 HG22 ILE 89 HG22 ILE 89 37.601 13.525 -60.503 8 HG21 ILE 89 HG23 ILE 89 36.013 13.614 -59.744 9 HD13 ILE 89 HD11 ILE 89 40.246 11.312 -60.580 10 HD12 ILE 89 HD12 ILE 89 40.089 12.431 -59.221 11 HD11 ILE 89 HD13 ILE 89 39.192 12.714 -60.711 No H/Q in entry = 11 In of MODEL 2 1 H ILE 90 H ILE 90 36.544 14.908 -58.638 2 HA ILE 90 HA ILE 90 38.642 16.274 -60.037 3 HB ILE 90 HB ILE 90 35.880 17.016 -59.108 4 HG12 ILE 90 HG12 ILE 90 37.065 16.926 -61.896 5 HG13 ILE 90 HG13 ILE 90 36.411 15.489 -61.114 6 HG22 ILE 90 HG21 ILE 90 36.253 19.118 -60.551 7 HG21 ILE 90 HG22 ILE 90 37.979 18.806 -60.344 8 HG23 ILE 90 HG23 ILE 90 36.958 19.115 -58.938 9 HD12 ILE 90 HD11 ILE 90 34.875 16.989 -62.675 10 HD11 ILE 90 HD12 ILE 90 34.700 17.959 -61.211 11 HD13 ILE 90 HD13 ILE 90 34.227 16.264 -61.210 No H/Q in entry = 11 In of MODEL 2 1 H ALA 91 H ALA 91 37.318 16.646 -56.767 2 HA ALA 91 HA ALA 91 38.659 19.059 -56.116 3 HB3 ALA 91 HB1 ALA 91 36.863 18.062 -54.737 4 HB1 ALA 91 HB2 ALA 91 38.296 18.441 -53.777 5 HB2 ALA 91 HB3 ALA 91 37.968 16.774 -54.258 No H/Q in entry = 5 In of MODEL 2 1 H LEU 92 H LEU 92 39.762 15.681 -55.580 2 HA LEU 92 HA LEU 92 42.222 16.385 -54.336 3 HB2 LEU 92 HB2 LEU 92 40.943 14.037 -54.951 4 HB3 LEU 92 HB3 LEU 92 42.288 14.002 -56.091 5 HG LEU 92 HG LEU 92 43.731 14.665 -53.984 6 HD11 LEU 92 HD11 LEU 92 41.795 15.055 -52.504 7 HD13 LEU 92 HD12 LEU 92 42.813 13.753 -51.883 8 HD12 LEU 92 HD13 LEU 92 41.301 13.373 -52.712 9 HD23 LEU 92 HD21 LEU 92 42.553 11.868 -54.177 10 HD22 LEU 92 HD22 LEU 92 44.119 12.284 -53.502 11 HD21 LEU 92 HD23 LEU 92 43.836 12.464 -55.229 No H/Q in entry = 11 In of MODEL 2 1 H ILE 93 H ILE 93 41.477 15.793 -57.779 2 HA ILE 93 HA ILE 93 44.131 16.215 -58.752 3 HB ILE 93 HB ILE 93 41.467 16.788 -60.103 4 HG12 ILE 93 HG12 ILE 93 43.297 14.355 -60.252 5 HG13 ILE 93 HG13 ILE 93 41.783 14.421 -59.355 6 HG21 ILE 93 HG21 ILE 93 44.280 16.488 -61.240 7 HG23 ILE 93 HG22 ILE 93 43.330 17.963 -61.209 8 HG22 ILE 93 HG23 ILE 93 42.810 16.604 -62.202 9 HD11 ILE 93 HD11 ILE 93 40.676 15.079 -61.581 10 HD13 ILE 93 HD12 ILE 93 41.215 13.408 -61.442 11 HD12 ILE 93 HD13 ILE 93 42.179 14.565 -62.339 No H/Q in entry = 11 In of MODEL 2 1 H LYS 94 H LYS 94 41.379 18.413 -58.414 2 HA LYS 94 HA LYS 94 42.858 20.764 -59.224 3 HB2 LYS 94 HB2 LYS 94 40.258 20.473 -57.701 4 HB3 LYS 94 HB3 LYS 94 40.955 22.036 -58.116 5 HG2 LYS 94 HG2 LYS 94 40.987 21.253 -60.540 6 HG3 LYS 94 HG3 LYS 94 40.034 19.866 -60.025 7 HD2 LYS 94 HD2 LYS 94 38.107 21.103 -59.895 8 HD3 LYS 94 HD3 LYS 94 38.899 22.424 -59.051 9 HE2 LYS 94 HE2 LYS 94 39.789 23.273 -61.182 10 HE3 LYS 94 HE3 LYS 94 39.053 21.923 -62.042 11 HZ2 LYS 94 HZ1 LYS 94 37.848 24.230 -61.826 12 HZ1 LYS 94 HZ2 LYS 94 37.334 23.578 -60.345 13 HZ3 LYS 94 HZ3 LYS 94 36.974 22.772 -61.796 No H/Q in entry = 13 In of MODEL 2 1 H ASP 95 H ASP 95 42.055 19.419 -56.017 2 HA ASP 95 HA ASP 95 43.414 21.637 -54.673 3 HB2 ASP 95 HB2 ASP 95 41.451 20.399 -53.708 4 HB3 ASP 95 HB3 ASP 95 42.517 19.015 -53.463 No H/Q in entry = 4 In of MODEL 2 1 H LYS 96 H LYS 96 44.125 18.142 -54.958 2 HA LYS 96 HA LYS 96 46.811 18.664 -53.808 3 HB2 LYS 96 HB2 LYS 96 45.462 16.074 -54.596 4 HB3 LYS 96 HB3 LYS 96 47.078 16.191 -53.915 5 HG2 LYS 96 HG2 LYS 96 45.562 17.733 -52.128 6 HG3 LYS 96 HG3 LYS 96 44.459 16.434 -52.556 7 HD2 LYS 96 HD2 LYS 96 45.972 14.753 -51.787 8 HD3 LYS 96 HD3 LYS 96 47.314 15.896 -51.678 9 HE2 LYS 96 HE2 LYS 96 46.542 15.564 -49.440 10 HE3 LYS 96 HE3 LYS 96 45.940 17.146 -49.927 11 HZ2 LYS 96 HZ1 LYS 96 44.445 14.588 -49.847 12 HZ1 LYS 96 HZ2 LYS 96 43.850 15.991 -50.596 13 HZ3 LYS 96 HZ3 LYS 96 44.154 15.987 -48.929 No H/Q in entry = 13 In of MODEL 2 1 H HIS 97 H HIS 97 45.619 18.823 -56.911 2 HA HIS 97 HA HIS 97 46.649 18.766 -59.015 3 HB2 HIS 97 HB2 HIS 97 49.233 19.049 -57.466 4 HB3 HIS 97 HB3 HIS 97 48.883 19.625 -59.096 5 HD1 HIS 97 HD1 HIS 97 49.746 21.495 -56.666 6 HD2 HIS 97 HD2 HIS 97 45.845 20.928 -58.025 7 HE1 HIS 97 HE1 HIS 97 48.424 23.522 -55.916 8 HE2 HIS 97 HE2 HIS 97 46.044 23.191 -56.742 No H/Q in entry = 8 In of MODEL 2 1 H MET 98 H MET 98 46.121 16.313 -57.803 2 HA MET 98 HA MET 98 48.439 14.534 -58.375 3 HB2 MET 98 HB2 MET 98 45.674 14.051 -57.254 4 HB3 MET 98 HB3 MET 98 46.802 12.739 -57.600 5 HG2 MET 98 HG2 MET 98 48.391 13.566 -56.018 6 HG3 MET 98 HG3 MET 98 47.554 15.108 -55.879 7 HE2 MET 98 HE1 MET 98 46.966 11.346 -53.488 8 HE1 MET 98 HE2 MET 98 48.419 12.143 -54.110 9 HE3 MET 98 HE3 MET 98 47.367 11.244 -55.201 No H/Q in entry = 9 In of MODEL 2 1 H THR 99 H THR 99 47.895 12.483 -59.713 2 HA THR 99 HA THR 99 46.822 13.368 -62.291 3 HB THR 99 HB THR 99 47.513 11.109 -63.061 4 HG1 THR 99 HG1 THR 99 48.654 9.853 -61.433 5 HG22 THR 99 HG21 THR 99 49.982 11.344 -62.282 6 HG21 THR 99 HG22 THR 99 49.426 12.794 -61.445 7 HG23 THR 99 HG23 THR 99 49.269 12.672 -63.199 No H/Q in entry = 7 In of MODEL 2 1 H ALA 100 H ALA 100 45.123 12.119 -63.437 2 HA ALA 100 HA ALA 100 42.788 11.736 -61.805 3 HB2 ALA 100 HB1 ALA 100 42.408 12.423 -64.034 4 HB3 ALA 100 HB2 ALA 100 41.851 10.749 -63.979 5 HB1 ALA 100 HB3 ALA 100 43.419 11.132 -64.690 No H/Q in entry = 5 In of MODEL 2 1 H ASP 101 H ASP 101 45.040 9.424 -63.348 2 HA ASP 101 HA ASP 101 43.478 7.131 -62.549 3 HB2 ASP 101 HB2 ASP 101 45.561 5.837 -63.088 4 HB3 ASP 101 HB3 ASP 101 45.018 6.885 -64.399 No H/Q in entry = 4 In of MODEL 2 1 H ALA 102 H ALA 102 46.088 8.979 -61.030 2 HA ALA 102 HA ALA 102 46.348 7.047 -58.837 3 HB1 ALA 102 HB1 ALA 102 47.353 9.906 -58.920 4 HB3 ALA 102 HB2 ALA 102 48.239 8.543 -59.604 5 HB2 ALA 102 HB3 ALA 102 47.915 8.605 -57.869 No H/Q in entry = 5 In of MODEL 2 1 H ALA 103 H ALA 103 44.809 10.209 -59.350 2 HA ALA 103 HA ALA 103 43.888 10.467 -56.625 3 HB1 ALA 103 HB1 ALA 103 44.032 12.465 -57.962 4 HB2 ALA 103 HB2 ALA 103 42.322 12.190 -57.636 5 HB3 ALA 103 HB3 ALA 103 42.997 11.770 -59.213 No H/Q in entry = 5 In of MODEL 2 1 H ALA 104 H ALA 104 42.295 9.360 -59.627 2 HA ALA 104 HA ALA 104 39.749 8.836 -58.447 3 HB3 ALA 104 HB1 ALA 104 39.261 7.585 -60.427 4 HB1 ALA 104 HB2 ALA 104 40.967 7.240 -60.708 5 HB2 ALA 104 HB3 ALA 104 40.353 8.877 -60.932 No H/Q in entry = 5 In of MODEL 2 1 H HIS 105 H HIS 105 42.642 6.825 -58.736 2 HA HIS 105 HA HIS 105 41.534 4.375 -57.830 3 HB2 HIS 105 HB2 HIS 105 43.845 4.633 -58.751 4 HB3 HIS 105 HB3 HIS 105 44.319 5.426 -57.257 5 HD1 HIS 105 HD1 HIS 105 42.407 2.210 -58.055 6 HD2 HIS 105 HD2 HIS 105 45.506 3.567 -55.613 7 HE1 HIS 105 HE1 HIS 105 43.180 0.215 -56.702 8 HE2 HIS 105 HE2 HIS 105 45.060 1.026 -55.208 No H/Q in entry = 8 In of MODEL 2 1 H GLU 106 H GLU 106 42.864 7.108 -56.003 2 HA GLU 106 HA GLU 106 42.741 5.886 -53.430 3 HB2 GLU 106 HB2 GLU 106 43.875 8.099 -54.209 4 HB3 GLU 106 HB3 GLU 106 42.306 8.827 -53.868 5 HG2 GLU 106 HG2 GLU 106 43.576 9.059 -51.861 6 HG3 GLU 106 HG3 GLU 106 42.451 7.735 -51.563 No H/Q in entry = 6 In of MODEL 2 1 H VAL 107 H VAL 107 40.350 7.779 -55.237 2 HA VAL 107 HA VAL 107 38.447 7.994 -53.130 3 HB VAL 107 HB VAL 107 36.884 8.661 -54.821 4 HG13 VAL 107 HG11 VAL 107 38.689 10.253 -54.497 5 HG12 VAL 107 HG12 VAL 107 38.303 10.194 -56.217 6 HG11 VAL 107 HG13 VAL 107 39.731 9.360 -55.603 7 HG23 VAL 107 HG21 VAL 107 37.683 8.278 -57.287 8 HG22 VAL 107 HG22 VAL 107 36.906 6.944 -56.426 9 HG21 VAL 107 HG23 VAL 107 38.662 6.991 -56.584 No H/Q in entry = 9 In of MODEL 2 1 H ILE 108 H ILE 108 38.465 5.640 -55.852 2 HA ILE 108 HA ILE 108 36.277 4.107 -54.751 3 HB ILE 108 HB ILE 108 37.004 4.065 -57.159 4 HG12 ILE 108 HG12 ILE 108 36.929 1.450 -57.284 5 HG13 ILE 108 HG13 ILE 108 36.688 1.542 -55.541 6 HG21 ILE 108 HG21 ILE 108 39.522 3.792 -56.277 7 HG23 ILE 108 HG22 ILE 108 39.032 3.142 -57.843 8 HG22 ILE 108 HG23 ILE 108 39.137 2.081 -56.443 9 HD11 ILE 108 HD11 ILE 108 34.966 3.020 -57.553 10 HD13 ILE 108 HD12 ILE 108 34.660 2.841 -55.827 11 HD12 ILE 108 HD13 ILE 108 34.555 1.446 -56.887 No H/Q in entry = 11 In of MODEL 2 1 H GLU 109 H GLU 109 39.799 3.813 -54.579 2 HA GLU 109 HA GLU 109 39.825 1.320 -53.128 3 HB2 GLU 109 HB2 GLU 109 41.828 2.324 -54.273 4 HB3 GLU 109 HB3 GLU 109 41.875 3.555 -53.012 5 HG2 GLU 109 HG2 GLU 109 42.155 1.801 -51.295 6 HG3 GLU 109 HG3 GLU 109 42.097 0.564 -52.552 No H/Q in entry = 6 In of MODEL 2 1 H GLY 110 H GLY 110 39.719 4.718 -52.180 2 HA3 GLY 110 HA2 GLY 110 40.058 4.415 -49.384 3 HA2 GLY 110 HA3 GLY 110 39.150 5.729 -50.137 No H/Q in entry = 3 In of MODEL 2 1 H GLN 111 H GLN 111 36.983 4.428 -51.273 2 HA GLN 111 HA GLN 111 35.370 3.892 -48.945 3 HB2 GLN 111 HB2 GLN 111 34.901 3.607 -51.905 4 HB3 GLN 111 HB3 GLN 111 33.718 3.002 -50.744 5 HG2 GLN 111 HG2 GLN 111 34.784 5.820 -50.565 6 HG3 GLN 111 HG3 GLN 111 33.413 5.421 -51.601 7 HE21 GLN 111 HE21 GLN 111 33.408 3.301 -48.968 8 HE22 GLN 111 HE22 GLN 111 32.314 4.135 -47.969 No H/Q in entry = 8 In of MODEL 2 1 H ALA 112 H ALA 112 36.501 1.713 -51.566 2 HA ALA 112 HA ALA 112 35.512 -0.690 -50.462 3 HB3 ALA 112 HB1 ALA 112 38.065 -0.213 -52.030 4 HB1 ALA 112 HB2 ALA 112 36.488 -0.628 -52.701 5 HB2 ALA 112 HB3 ALA 112 37.367 -1.803 -51.722 No H/Q in entry = 5 In of MODEL 2 1 H SER 113 H SER 113 38.541 1.045 -49.807 2 HA SER 113 HA SER 113 39.711 -0.893 -48.089 3 HB2 SER 113 HB2 SER 113 41.049 0.952 -47.197 4 HB3 SER 113 HB3 SER 113 40.895 1.132 -48.941 5 HG SER 113 HG SER 113 39.345 2.690 -48.624 No H/Q in entry = 5 In of MODEL 2 1 H ALA 114 H ALA 114 37.387 1.712 -47.418 2 HA ALA 114 HA ALA 114 37.320 1.331 -44.576 3 HB1 ALA 114 HB1 ALA 114 35.094 2.458 -44.695 4 HB2 ALA 114 HB2 ALA 114 35.164 2.346 -46.454 5 HB3 ALA 114 HB3 ALA 114 36.343 3.331 -45.583 No H/Q in entry = 5 In of MODEL 2 1 H LEU 115 H LEU 115 35.499 -0.150 -47.246 2 HA LEU 115 HA LEU 115 33.686 -1.632 -45.600 3 HB2 LEU 115 HB2 LEU 115 34.634 -1.824 -48.432 4 HB3 LEU 115 HB3 LEU 115 33.793 -3.211 -47.742 5 HG LEU 115 HG LEU 115 32.244 -1.637 -48.883 6 HD13 LEU 115 HD11 LEU 115 30.600 -2.051 -47.362 7 HD12 LEU 115 HD12 LEU 115 31.501 -1.316 -46.037 8 HD11 LEU 115 HD13 LEU 115 31.875 -2.958 -46.554 9 HD21 LEU 115 HD21 LEU 115 33.118 0.282 -46.697 10 HD23 LEU 115 HD22 LEU 115 31.782 0.558 -47.811 11 HD22 LEU 115 HD23 LEU 115 33.432 0.479 -48.421 No H/Q in entry = 11 In of MODEL 2 1 H GLU 116 H GLU 116 36.956 -2.476 -46.846 2 HA GLU 116 HA GLU 116 36.943 -5.166 -45.968 3 HB2 GLU 116 HB2 GLU 116 39.230 -3.185 -46.149 4 HB3 GLU 116 HB3 GLU 116 39.437 -4.919 -45.905 5 HG2 GLU 116 HG2 GLU 116 38.258 -5.356 -48.034 6 HG3 GLU 116 HG3 GLU 116 38.080 -3.620 -48.288 No H/Q in entry = 6 In of MODEL 2 1 H GLU 117 H GLU 117 37.588 -2.167 -44.203 2 HA GLU 117 HA GLU 117 38.694 -3.277 -41.849 3 HB2 GLU 117 HB2 GLU 117 37.016 -0.844 -42.399 4 HB3 GLU 117 HB3 GLU 117 37.370 -1.295 -40.729 5 HG2 GLU 117 HG2 GLU 117 39.078 0.260 -41.520 6 HG3 GLU 117 HG3 GLU 117 39.801 -1.334 -41.299 No H/Q in entry = 6 In of MODEL 2 1 H LEU 118 H LEU 118 35.491 -3.524 -43.163 2 HA LEU 118 HA LEU 118 34.015 -4.023 -40.781 3 HB2 LEU 118 HB2 LEU 118 33.702 -4.791 -43.659 4 HB3 LEU 118 HB3 LEU 118 32.637 -5.510 -42.460 5 HG LEU 118 HG LEU 118 31.750 -3.391 -43.520 6 HD13 LEU 118 HD11 LEU 118 30.535 -3.273 -41.631 7 HD12 LEU 118 HD12 LEU 118 31.870 -2.481 -40.797 8 HD11 LEU 118 HD13 LEU 118 31.765 -4.237 -40.818 9 HD21 LEU 118 HD21 LEU 118 34.150 -2.340 -43.408 10 HD23 LEU 118 HD22 LEU 118 33.707 -1.902 -41.759 11 HD22 LEU 118 HD23 LEU 118 32.760 -1.297 -43.121 No H/Q in entry = 11 In of MODEL 2 1 H ASP 119 H ASP 119 33.534 -5.982 -39.713 2 HA ASP 119 HA ASP 119 35.551 -8.138 -40.119 3 HB2 ASP 119 HB2 ASP 119 34.885 -8.870 -37.866 4 HB3 ASP 119 HB3 ASP 119 35.297 -7.158 -37.841 No H/Q in entry = 4 In of MODEL 2 1 H ASP 120 H ASP 120 33.428 -7.991 -42.045 2 HA ASP 120 HA ASP 120 31.964 -10.538 -41.419 3 HB2 ASP 120 HB2 ASP 120 30.902 -7.973 -42.588 4 HB3 ASP 120 HB3 ASP 120 30.067 -9.504 -42.843 No H/Q in entry = 4 In of MODEL 2 1 H GLU 121 H GLU 121 32.073 -12.032 -42.986 2 HA GLU 121 HA GLU 121 33.803 -11.675 -45.282 3 HB2 GLU 121 HB2 GLU 121 33.012 -13.977 -45.900 4 HB3 GLU 121 HB3 GLU 121 33.639 -13.867 -44.256 5 HG2 GLU 121 HG2 GLU 121 31.354 -13.684 -43.381 6 HG3 GLU 121 HG3 GLU 121 30.706 -13.729 -45.019 No H/Q in entry = 6 In of MODEL 2 1 H TYR 122 H TYR 122 30.338 -11.496 -44.779 2 HA TYR 122 HA TYR 122 29.581 -11.652 -47.572 3 HB2 TYR 122 HB2 TYR 122 28.246 -10.828 -44.995 4 HB3 TYR 122 HB3 TYR 122 27.440 -10.549 -46.533 5 HD1 TYR 122 HD1 TYR 122 28.345 -12.998 -43.993 6 HD2 TYR 122 HD2 TYR 122 26.948 -12.536 -48.049 7 HE1 TYR 122 HE1 TYR 122 27.602 -15.370 -44.010 8 HE2 TYR 122 HE2 TYR 122 26.196 -14.914 -48.053 9 HH TYR 122 HH TYR 122 26.294 -16.863 -46.948 No H/Q in entry = 9 In of MODEL 2 1 H LEU 123 H LEU 123 30.258 -8.976 -45.324 2 HA LEU 123 HA LEU 123 29.532 -6.927 -47.261 3 HB2 LEU 123 HB2 LEU 123 30.906 -6.944 -44.575 4 HB3 LEU 123 HB3 LEU 123 30.923 -5.486 -45.569 5 HG LEU 123 HG LEU 123 28.511 -5.425 -45.648 6 HD12 LEU 123 HD11 LEU 123 27.256 -7.185 -44.193 7 HD11 LEU 123 HD12 LEU 123 28.728 -8.146 -44.349 8 HD13 LEU 123 HD13 LEU 123 27.823 -7.674 -45.789 9 HD21 LEU 123 HD21 LEU 123 29.551 -5.936 -42.839 10 HD23 LEU 123 HD22 LEU 123 27.987 -5.210 -43.183 11 HD22 LEU 123 HD23 LEU 123 29.466 -4.383 -43.659 No H/Q in entry = 11 In of MODEL 2 1 H LYS 124 H LYS 124 32.465 -8.606 -46.293 2 HA LYS 124 HA LYS 124 34.347 -6.963 -47.655 3 HB2 LYS 124 HB2 LYS 124 34.894 -8.728 -45.970 4 HB3 LYS 124 HB3 LYS 124 34.509 -9.949 -47.181 5 HG2 LYS 124 HG2 LYS 124 36.576 -9.765 -48.041 6 HG3 LYS 124 HG3 LYS 124 36.304 -8.053 -48.357 7 HD2 LYS 124 HD2 LYS 124 38.200 -8.151 -46.905 8 HD3 LYS 124 HD3 LYS 124 36.849 -7.645 -45.894 9 HE2 LYS 124 HE2 LYS 124 36.564 -10.217 -45.433 10 HE3 LYS 124 HE3 LYS 124 38.233 -10.329 -45.996 11 HZ3 LYS 124 HZ1 LYS 124 39.010 -9.119 -44.248 12 HZ2 LYS 124 HZ2 LYS 124 37.694 -9.890 -43.496 13 HZ1 LYS 124 HZ3 LYS 124 37.555 -8.280 -44.015 No H/Q in entry = 13 In of MODEL 2 1 H GLU 125 H GLU 125 32.482 -9.799 -48.820 2 HA GLU 125 HA GLU 125 33.746 -9.949 -51.380 3 HB2 GLU 125 HB2 GLU 125 31.060 -10.798 -50.353 4 HB3 GLU 125 HB3 GLU 125 31.365 -10.831 -52.087 5 HG2 GLU 125 HG2 GLU 125 31.909 -13.009 -51.134 6 HG3 GLU 125 HG3 GLU 125 33.399 -12.217 -51.656 No H/Q in entry = 6 In of MODEL 2 1 H ARG 126 H ARG 126 30.877 -8.076 -50.332 2 HA ARG 126 HA ARG 126 30.340 -6.980 -52.919 3 HB2 ARG 126 HB2 ARG 126 28.789 -6.810 -50.930 4 HB3 ARG 126 HB3 ARG 126 29.870 -5.593 -50.249 5 HG2 ARG 126 HG2 ARG 126 28.538 -4.129 -51.381 6 HG3 ARG 126 HG3 ARG 126 29.522 -4.590 -52.768 7 HD2 ARG 126 HD2 ARG 126 27.169 -4.753 -53.366 8 HD3 ARG 126 HD3 ARG 126 27.855 -6.373 -53.300 9 HE ARG 126 HE ARG 126 26.438 -6.830 -51.460 10 HH21 ARG 126 HH11 ARG 126 24.753 -6.264 -50.049 11 HH22 ARG 126 HH12 ARG 126 24.335 -4.599 -49.851 12 HH11 ARG 126 HH21 ARG 126 26.730 -3.451 -52.074 13 HH12 ARG 126 HH22 ARG 126 25.450 -3.009 -50.991 No H/Q in entry = 13 In of MODEL 2 1 H ALA 127 H ALA 127 32.603 -6.041 -50.382 2 HA ALA 127 HA ALA 127 33.425 -3.558 -51.539 3 HB1 ALA 127 HB1 ALA 127 35.059 -3.566 -49.918 4 HB2 ALA 127 HB2 ALA 127 35.496 -5.240 -50.233 5 HB3 ALA 127 HB3 ALA 127 34.078 -4.871 -49.253 No H/Q in entry = 5 In of MODEL 2 1 H ALA 128 H ALA 128 34.038 -6.881 -52.336 2 HA ALA 128 HA ALA 128 36.374 -6.438 -53.995 3 HB1 ALA 128 HB1 ALA 128 34.389 -8.684 -54.386 4 HB3 ALA 128 HB2 ALA 128 35.504 -8.675 -53.019 5 HB2 ALA 128 HB3 ALA 128 36.131 -8.696 -54.667 No H/Q in entry = 5 In of MODEL 2 1 H ASP 129 H ASP 129 32.875 -6.567 -54.567 2 HA ASP 129 HA ASP 129 33.020 -6.309 -57.423 3 HB2 ASP 129 HB2 ASP 129 30.867 -5.814 -55.373 4 HB3 ASP 129 HB3 ASP 129 30.613 -5.351 -57.054 No H/Q in entry = 4 In of MODEL 2 1 H VAL 130 H VAL 130 32.794 -3.948 -54.789 2 HA VAL 130 HA VAL 130 32.554 -1.651 -56.518 3 HB VAL 130 HB VAL 130 33.530 -1.900 -53.650 4 HG12 VAL 130 HG11 VAL 130 33.014 0.570 -53.597 5 HG11 VAL 130 HG12 VAL 130 32.934 0.517 -55.359 6 HG13 VAL 130 HG13 VAL 130 34.446 0.140 -54.531 7 HG23 VAL 130 HG21 VAL 130 31.250 -0.928 -53.198 8 HG22 VAL 130 HG22 VAL 130 31.204 -2.540 -53.914 9 HG21 VAL 130 HG23 VAL 130 30.886 -1.122 -54.916 No H/Q in entry = 9 In of MODEL 2 1 H ARG 131 H ARG 131 35.306 -3.326 -55.030 2 HA ARG 131 HA ARG 131 37.365 -1.527 -55.831 3 HB2 ARG 131 HB2 ARG 131 37.602 -3.498 -54.252 4 HB3 ARG 131 HB3 ARG 131 37.594 -4.543 -55.675 5 HG2 ARG 131 HG2 ARG 131 39.853 -4.221 -55.594 6 HG3 ARG 131 HG3 ARG 131 39.459 -2.721 -56.431 7 HD2 ARG 131 HD2 ARG 131 40.872 -2.159 -54.553 8 HD3 ARG 131 HD3 ARG 131 39.242 -1.615 -54.175 9 HE ARG 131 HE ARG 131 39.203 -3.214 -52.427 10 HH21 ARG 131 HH11 ARG 131 40.034 -4.956 -51.258 11 HH22 ARG 131 HH12 ARG 131 41.411 -5.811 -51.864 12 HH11 ARG 131 HH21 ARG 131 41.718 -3.846 -54.702 13 HH12 ARG 131 HH22 ARG 131 42.366 -5.183 -53.813 No H/Q in entry = 13 In of MODEL 2 1 H ASP 132 H ASP 132 35.837 -4.252 -57.489 2 HA ASP 132 HA ASP 132 37.531 -4.386 -59.765 3 HB2 ASP 132 HB2 ASP 132 35.785 -6.063 -59.144 4 HB3 ASP 132 HB3 ASP 132 34.548 -4.916 -59.662 No H/Q in entry = 4 In of MODEL 2 1 H ILE 133 H ILE 133 34.669 -2.364 -59.139 2 HA ILE 133 HA ILE 133 34.398 -1.305 -61.755 3 HB ILE 133 HB ILE 133 33.841 0.071 -59.109 4 HG12 ILE 133 HG12 ILE 133 31.985 -1.539 -60.899 5 HG13 ILE 133 HG13 ILE 133 32.751 -2.184 -59.449 6 HG23 ILE 133 HG21 ILE 133 33.797 1.697 -60.898 7 HG22 ILE 133 HG22 ILE 133 32.121 1.289 -60.538 8 HG21 ILE 133 HG23 ILE 133 32.913 0.599 -61.953 9 HD13 ILE 133 HD11 ILE 133 30.557 -1.474 -58.773 10 HD12 ILE 133 HD12 ILE 133 30.721 0.070 -59.615 11 HD11 ILE 133 HD13 ILE 133 31.674 -0.253 -58.170 No H/Q in entry = 11 In of MODEL 2 1 H GLY 134 H GLY 134 36.335 -0.109 -58.995 2 HA3 GLY 134 HA2 GLY 134 37.371 2.158 -60.470 3 HA2 GLY 134 HA3 GLY 134 38.015 1.543 -58.949 No H/Q in entry = 3 In of MODEL 2 1 H LYS 135 H LYS 135 38.465 -1.154 -59.959 2 HA LYS 135 HA LYS 135 41.140 -0.884 -60.892 3 HB2 LYS 135 HB2 LYS 135 40.181 -2.912 -59.784 4 HB3 LYS 135 HB3 LYS 135 39.258 -3.252 -61.244 5 HG2 LYS 135 HG2 LYS 135 41.375 -3.436 -62.528 6 HG3 LYS 135 HG3 LYS 135 42.284 -3.115 -61.051 7 HD2 LYS 135 HD2 LYS 135 41.319 -5.144 -60.006 8 HD3 LYS 135 HD3 LYS 135 40.383 -5.451 -61.467 9 HE2 LYS 135 HE2 LYS 135 42.366 -6.853 -61.507 10 HE3 LYS 135 HE3 LYS 135 42.531 -5.608 -62.746 11 HZ2 LYS 135 HZ1 LYS 135 44.522 -5.990 -61.270 12 HZ1 LYS 135 HZ2 LYS 135 43.626 -5.276 -60.015 13 HZ3 LYS 135 HZ3 LYS 135 43.997 -4.380 -61.411 No H/Q in entry = 13 In of MODEL 2 1 H ARG 136 H ARG 136 38.147 -1.688 -62.707 2 HA ARG 136 HA ARG 136 39.456 -1.800 -65.270 3 HB2 ARG 136 HB2 ARG 136 37.299 -2.890 -64.856 4 HB3 ARG 136 HB3 ARG 136 36.553 -1.326 -64.524 5 HG2 ARG 136 HG2 ARG 136 36.869 -0.590 -66.784 6 HG3 ARG 136 HG3 ARG 136 37.912 -1.970 -67.150 7 HD2 ARG 136 HD2 ARG 136 35.017 -2.258 -66.318 8 HD3 ARG 136 HD3 ARG 136 35.534 -2.194 -67.996 9 HE ARG 136 HE ARG 136 37.110 -4.183 -66.797 10 HH21 ARG 136 HH11 ARG 136 36.482 -6.347 -66.704 11 HH22 ARG 136 HH12 ARG 136 34.812 -6.754 -66.892 12 HH11 ARG 136 HH21 ARG 136 33.775 -3.474 -67.274 13 HH12 ARG 136 HH22 ARG 136 33.278 -5.132 -67.214 No H/Q in entry = 13 In of MODEL 2 1 H LEU 137 H LEU 137 37.994 0.781 -63.383 2 HA LEU 137 HA LEU 137 37.663 2.706 -65.426 3 HB2 LEU 137 HB2 LEU 137 37.677 2.634 -62.541 4 HB3 LEU 137 HB3 LEU 137 38.581 4.040 -63.091 5 HG LEU 137 HG LEU 137 36.174 4.541 -62.759 6 HD11 LEU 137 HD11 LEU 137 37.749 5.495 -64.679 7 HD13 LEU 137 HD12 LEU 137 36.043 5.934 -64.612 8 HD12 LEU 137 HD13 LEU 137 36.593 4.680 -65.722 9 HD22 LEU 137 HD21 LEU 137 34.480 3.285 -63.696 10 HD21 LEU 137 HD22 LEU 137 35.704 2.024 -63.783 11 HD23 LEU 137 HD23 LEU 137 35.356 3.010 -65.200 No H/Q in entry = 11 In of MODEL 2 1 H LEU 138 H LEU 138 40.510 1.879 -63.471 2 HA LEU 138 HA LEU 138 42.230 3.898 -64.522 3 HB2 LEU 138 HB2 LEU 138 42.604 1.261 -63.174 4 HB3 LEU 138 HB3 LEU 138 43.995 1.960 -63.996 5 HG LEU 138 HG LEU 138 43.849 3.980 -62.665 6 HD11 LEU 138 HD11 LEU 138 41.200 2.793 -61.867 7 HD13 LEU 138 HD12 LEU 138 41.565 4.429 -62.420 8 HD12 LEU 138 HD13 LEU 138 42.019 3.922 -60.793 9 HD22 LEU 138 HD21 LEU 138 44.553 3.107 -60.608 10 HD21 LEU 138 HD22 LEU 138 44.721 1.695 -61.648 11 HD23 LEU 138 HD23 LEU 138 43.322 1.870 -60.599 No H/Q in entry = 11 In of MODEL 2 1 H ARG 139 H ARG 139 41.439 0.627 -65.676 2 HA ARG 139 HA ARG 139 43.362 0.698 -67.843 3 HB2 ARG 139 HB2 ARG 139 40.782 -0.870 -67.532 4 HB3 ARG 139 HB3 ARG 139 41.944 -1.121 -68.829 5 HG2 ARG 139 HG2 ARG 139 43.708 -1.552 -67.042 6 HG3 ARG 139 HG3 ARG 139 42.409 -1.517 -65.853 7 HD2 ARG 139 HD2 ARG 139 42.770 -3.839 -66.413 8 HD3 ARG 139 HD3 ARG 139 41.264 -3.352 -67.176 9 HE ARG 139 HE ARG 139 43.525 -2.992 -68.958 10 HH21 ARG 139 HH11 ARG 139 43.816 -4.509 -70.610 11 HH22 ARG 139 HH12 ARG 139 42.922 -5.994 -70.571 12 HH11 ARG 139 HH21 ARG 139 41.271 -5.235 -67.621 13 HH12 ARG 139 HH22 ARG 139 41.483 -6.403 -68.884 No H/Q in entry = 13 In of MODEL 2 1 H ASN 140 H ASN 140 39.956 1.611 -67.522 2 HA ASN 140 HA ASN 140 39.442 2.225 -70.251 3 HB2 ASN 140 HB2 ASN 140 38.233 3.263 -67.683 4 HB3 ASN 140 HB3 ASN 140 37.614 3.705 -69.277 5 HD21 ASN 140 HD21 ASN 140 36.057 2.174 -67.376 6 HD22 ASN 140 HD22 ASN 140 35.824 0.620 -68.027 No H/Q in entry = 6 In of MODEL 2 1 H ILE 141 H ILE 141 40.858 4.280 -67.668 2 HA ILE 141 HA ILE 141 40.783 6.665 -69.307 3 HB ILE 141 HB ILE 141 42.499 5.938 -66.902 4 HG12 ILE 141 HG12 ILE 141 39.967 7.616 -67.017 5 HG13 ILE 141 HG13 ILE 141 39.992 5.908 -66.606 6 HG23 ILE 141 HG21 ILE 141 43.610 7.813 -67.862 7 HG22 ILE 141 HG22 ILE 141 42.521 8.562 -66.700 8 HG21 ILE 141 HG23 ILE 141 42.100 8.537 -68.402 9 HD12 ILE 141 HD11 ILE 141 40.021 7.349 -64.585 10 HD11 ILE 141 HD12 ILE 141 41.554 8.040 -65.125 11 HD13 ILE 141 HD13 ILE 141 41.454 6.330 -64.707 No H/Q in entry = 11 In of MODEL 2 1 H LEU 142 H LEU 142 43.209 4.179 -68.552 2 HA LEU 142 HA LEU 142 45.248 5.359 -70.213 3 HB2 LEU 142 HB2 LEU 142 44.865 2.764 -68.790 4 HB3 LEU 142 HB3 LEU 142 46.073 2.823 -70.067 5 HG LEU 142 HG LEU 142 47.139 4.767 -68.934 6 HD13 LEU 142 HD11 LEU 142 45.130 5.646 -67.832 7 HD12 LEU 142 HD12 LEU 142 46.399 5.344 -66.644 8 HD11 LEU 142 HD13 LEU 142 45.056 4.214 -66.802 9 HD21 LEU 142 HD21 LEU 142 47.874 2.427 -68.410 10 HD23 LEU 142 HD22 LEU 142 46.753 2.410 -67.048 11 HD22 LEU 142 HD23 LEU 142 48.117 3.527 -67.061 No H/Q in entry = 11 In of MODEL 2 1 H GLY 143 H GLY 143 42.654 3.037 -70.737 2 HA3 GLY 143 HA2 GLY 143 41.677 2.481 -72.835 3 HA2 GLY 143 HA3 GLY 143 42.988 3.342 -73.647 No H/Q in entry = 3 In of MODEL 2 1 H LEU 144 H LEU 144 43.148 0.776 -71.202 2 HA LEU 144 HA LEU 144 45.178 -0.646 -72.627 3 HB2 LEU 144 HB2 LEU 144 44.087 -0.672 -70.016 4 HB3 LEU 144 HB3 LEU 144 43.867 -2.297 -70.672 5 HG LEU 144 HG LEU 144 46.495 -0.807 -70.860 6 HD13 LEU 144 HD11 LEU 144 45.909 -1.082 -68.484 7 HD12 LEU 144 HD12 LEU 144 47.222 -2.175 -68.927 8 HD11 LEU 144 HD13 LEU 144 45.578 -2.792 -68.754 9 HD21 LEU 144 HD21 LEU 144 45.636 -3.697 -71.185 10 HD23 LEU 144 HD22 LEU 144 47.324 -3.184 -71.119 11 HD22 LEU 144 HD23 LEU 144 46.285 -2.633 -72.432 No H/Q in entry = 11 In of MODEL 2 1 H LYS 145 H LYS 145 45.047 -2.549 -73.781 2 HA LYS 145 HA LYS 145 42.713 -3.022 -75.291 3 HB2 LYS 145 HB2 LYS 145 44.817 -3.660 -76.226 4 HB3 LYS 145 HB3 LYS 145 45.200 -4.677 -74.838 5 HG2 LYS 145 HG2 LYS 145 44.262 -6.412 -75.927 6 HG3 LYS 145 HG3 LYS 145 42.707 -5.592 -75.791 7 HD2 LYS 145 HD2 LYS 145 43.565 -4.233 -77.879 8 HD3 LYS 145 HD3 LYS 145 44.629 -5.623 -78.096 9 HE2 LYS 145 HE2 LYS 145 42.769 -7.130 -78.251 10 HE3 LYS 145 HE3 LYS 145 41.636 -5.885 -77.723 11 HZ3 LYS 145 HZ1 LYS 145 41.400 -5.238 -79.812 12 HZ2 LYS 145 HZ2 LYS 145 42.440 -6.483 -80.323 13 HZ1 LYS 145 HZ3 LYS 145 43.065 -4.945 -79.953 No H/Q in entry = 13 In of MODEL 2 1 H ILE 146 H ILE 146 41.017 -4.370 -75.029 2 HA ILE 146 HA ILE 146 40.923 -5.940 -72.529 3 HB ILE 146 HB ILE 146 38.371 -5.871 -73.130 4 HG12 ILE 146 HG12 ILE 146 39.166 -4.691 -75.380 5 HG13 ILE 146 HG13 ILE 146 37.659 -4.218 -74.595 6 HG22 ILE 146 HG21 ILE 146 38.298 -3.531 -72.040 7 HG21 ILE 146 HG22 ILE 146 40.062 -3.620 -72.033 8 HG23 ILE 146 HG23 ILE 146 39.111 -4.812 -71.143 9 HD11 ILE 146 HD11 ILE 146 40.255 -2.864 -73.880 10 HD13 ILE 146 HD12 ILE 146 38.607 -2.270 -73.668 11 HD12 ILE 146 HD13 ILE 146 39.320 -2.336 -75.279 No H/Q in entry = 11 In of MODEL 2 1 H ILE 147 H ILE 147 40.610 -8.096 -72.596 2 HA ILE 147 HA ILE 147 40.896 -9.465 -75.099 3 HB ILE 147 HB ILE 147 40.495 -11.515 -73.598 4 HG12 ILE 147 HG12 ILE 147 40.725 -9.367 -71.462 5 HG13 ILE 147 HG13 ILE 147 39.236 -10.225 -71.856 6 HG22 ILE 147 HG21 ILE 147 42.707 -9.567 -72.870 7 HG21 ILE 147 HG22 ILE 147 42.732 -10.663 -74.252 8 HG23 ILE 147 HG23 ILE 147 42.737 -11.312 -72.610 9 HD12 ILE 147 HD11 ILE 147 41.810 -11.494 -70.873 10 HD11 ILE 147 HD12 ILE 147 40.353 -12.379 -71.325 11 HD13 ILE 147 HD13 ILE 147 40.328 -11.291 -69.935 No H/Q in entry = 11 In of MODEL 2 1 H ASP 148 H ASP 148 38.258 -9.046 -72.766 2 HA ASP 148 HA ASP 148 35.939 -9.324 -72.989 3 HB2 ASP 148 HB2 ASP 148 36.521 -9.346 -75.972 4 HB3 ASP 148 HB3 ASP 148 34.961 -9.025 -75.213 No H/Q in entry = 4 In of MODEL 2 1 H LEU 149 H LEU 149 35.202 -11.285 -72.341 2 HA LEU 149 HA LEU 149 36.188 -13.756 -73.512 3 HB2 LEU 149 HB2 LEU 149 34.310 -12.976 -71.314 4 HB3 LEU 149 HB3 LEU 149 34.216 -14.618 -71.943 5 HG LEU 149 HG LEU 149 35.768 -14.307 -69.957 6 HD12 LEU 149 HD11 LEU 149 37.231 -15.221 -72.441 7 HD11 LEU 149 HD12 LEU 149 35.905 -16.147 -71.738 8 HD13 LEU 149 HD13 LEU 149 37.369 -15.853 -70.799 9 HD21 LEU 149 HD21 LEU 149 36.656 -12.071 -70.984 10 HD23 LEU 149 HD22 LEU 149 37.712 -13.117 -71.936 11 HD22 LEU 149 HD23 LEU 149 37.796 -13.134 -70.172 No H/Q in entry = 11 In of MODEL 2 1 H SER 150 H SER 150 33.932 -11.599 -74.633 2 HA SER 150 HA SER 150 31.967 -13.602 -75.529 3 HB2 SER 150 HB2 SER 150 30.883 -11.654 -76.631 4 HB3 SER 150 HB3 SER 150 31.240 -11.325 -74.939 5 HG SER 150 HG SER 150 31.888 -9.805 -76.839 No H/Q in entry = 5 In of MODEL 2 1 H ALA 151 H ALA 151 34.964 -12.363 -76.665 2 HA ALA 151 HA ALA 151 34.394 -12.727 -79.516 3 HB3 ALA 151 HB1 ALA 151 37.140 -12.465 -78.250 4 HB2 ALA 151 HB2 ALA 151 36.070 -11.084 -78.477 5 HB1 ALA 151 HB3 ALA 151 36.634 -11.997 -79.874 No H/Q in entry = 5 In of MODEL 2 1 H ILE 152 H ILE 152 34.095 -15.126 -77.707 2 HA ILE 152 HA ILE 152 36.323 -16.857 -78.599 3 HB ILE 152 HB ILE 152 33.806 -17.538 -77.048 4 HG12 ILE 152 HG12 ILE 152 35.111 -15.860 -75.886 5 HG13 ILE 152 HG13 ILE 152 35.294 -17.404 -75.063 6 HG22 ILE 152 HG21 ILE 152 35.590 -19.393 -76.259 7 HG21 ILE 152 HG22 ILE 152 36.220 -19.108 -77.880 8 HG23 ILE 152 HG23 ILE 152 34.559 -19.633 -77.665 9 HD12 ILE 152 HD11 ILE 152 37.291 -15.841 -76.666 10 HD11 ILE 152 HD12 ILE 152 37.421 -17.598 -76.677 11 HD13 ILE 152 HD13 ILE 152 37.514 -16.729 -75.157 No H/Q in entry = 11 In of MODEL 2 1 H GLN 153 H GLN 153 36.242 -17.833 -80.571 2 HA GLN 153 HA GLN 153 33.589 -18.227 -81.891 3 HB2 GLN 153 HB2 GLN 153 36.417 -18.158 -82.952 4 HB3 GLN 153 HB3 GLN 153 35.074 -18.756 -83.921 5 HG2 GLN 153 HG2 GLN 153 33.908 -16.600 -83.627 6 HG3 GLN 153 HG3 GLN 153 35.274 -15.996 -82.687 7 HE21 GLN 153 HE21 GLN 153 34.672 -14.618 -85.033 8 HE22 GLN 153 HE22 GLN 153 35.834 -14.946 -86.222 No H/Q in entry = 8 In of MODEL 2 1 H ASP 154 H ASP 154 36.009 -20.018 -80.223 2 HA ASP 154 HA ASP 154 34.888 -22.580 -81.357 3 HB2 ASP 154 HB2 ASP 154 37.734 -21.914 -80.568 4 HB3 ASP 154 HB3 ASP 154 37.157 -23.556 -80.874 No H/Q in entry = 4 In of MODEL 2 1 H GLU 155 H GLU 155 34.662 -24.304 -79.896 2 HA GLU 155 HA GLU 155 33.930 -23.609 -77.212 3 HB2 GLU 155 HB2 GLU 155 34.499 -26.283 -78.524 4 HB3 GLU 155 HB3 GLU 155 33.887 -26.123 -76.876 5 HG2 GLU 155 HG2 GLU 155 31.927 -24.890 -77.717 6 HG3 GLU 155 HG3 GLU 155 32.524 -25.049 -79.368 No H/Q in entry = 6 In of MODEL 2 1 H VAL 156 H VAL 156 35.132 -23.585 -75.382 2 HA VAL 156 HA VAL 156 37.780 -24.904 -75.288 3 HB VAL 156 HB VAL 156 38.922 -22.791 -74.611 4 HG12 VAL 156 HG11 VAL 156 37.646 -22.431 -77.325 5 HG11 VAL 156 HG12 VAL 156 38.818 -23.707 -77.017 6 HG13 VAL 156 HG13 VAL 156 39.282 -22.018 -76.823 7 HG22 VAL 156 HG21 VAL 156 36.950 -21.538 -73.870 8 HG21 VAL 156 HG22 VAL 156 36.296 -21.550 -75.507 9 HG23 VAL 156 HG23 VAL 156 37.768 -20.645 -75.152 No H/Q in entry = 9 In of MODEL 2 1 H ILE 157 H ILE 157 38.748 -24.705 -73.040 2 HA ILE 157 HA ILE 157 36.563 -24.660 -71.007 3 HB ILE 157 HB ILE 157 39.467 -25.542 -70.721 4 HG12 ILE 157 HG12 ILE 157 36.962 -27.256 -70.966 5 HG13 ILE 157 HG13 ILE 157 38.027 -26.901 -72.320 6 HG22 ILE 157 HG21 ILE 157 37.164 -26.278 -68.893 7 HG21 ILE 157 HG22 ILE 157 38.028 -24.770 -68.654 8 HG23 ILE 157 HG23 ILE 157 38.891 -26.296 -68.553 9 HD12 ILE 157 HD11 ILE 157 38.334 -28.987 -70.389 10 HD11 ILE 157 HD12 ILE 157 39.639 -27.844 -70.092 11 HD13 ILE 157 HD13 ILE 157 39.445 -28.562 -71.687 No H/Q in entry = 11 In of MODEL 2 1 H LEU 158 H LEU 158 36.735 -23.157 -69.254 2 HA LEU 158 HA LEU 158 38.413 -20.782 -69.913 3 HB2 LEU 158 HB2 LEU 158 35.979 -20.491 -69.641 4 HB3 LEU 158 HB3 LEU 158 36.090 -21.123 -68.001 5 HG LEU 158 HG LEU 158 37.612 -19.253 -67.399 6 HD12 LEU 158 HD11 LEU 158 37.503 -17.296 -69.170 7 HD11 LEU 158 HD12 LEU 158 37.213 -18.606 -70.318 8 HD13 LEU 158 HD13 LEU 158 38.698 -18.574 -69.365 9 HD22 LEU 158 HD21 LEU 158 35.246 -18.997 -66.956 10 HD21 LEU 158 HD22 LEU 158 34.941 -18.538 -68.628 11 HD23 LEU 158 HD23 LEU 158 35.845 -17.458 -67.572 No H/Q in entry = 11 In of MODEL 2 1 H VAL 159 H VAL 159 40.311 -20.602 -68.858 2 HA VAL 159 HA VAL 159 40.499 -21.593 -66.014 3 HB VAL 159 HB VAL 159 42.686 -21.470 -68.119 4 HG12 VAL 159 HG11 VAL 159 43.999 -22.714 -66.441 5 HG11 VAL 159 HG12 VAL 159 42.659 -22.590 -65.303 6 HG13 VAL 159 HG13 VAL 159 43.509 -21.137 -65.828 7 HG22 VAL 159 HG21 VAL 159 42.519 -23.854 -68.250 8 HG21 VAL 159 HG22 VAL 159 40.878 -23.234 -68.431 9 HG23 VAL 159 HG23 VAL 159 41.400 -23.915 -66.890 No H/Q in entry = 9 In of MODEL 2 1 H ALA 160 H ALA 160 41.035 -20.001 -64.555 2 HA ALA 160 HA ALA 160 42.635 -17.672 -65.374 3 HB1 ALA 160 HB1 ALA 160 39.808 -17.305 -64.342 4 HB3 ALA 160 HB2 ALA 160 40.281 -17.081 -66.028 5 HB2 ALA 160 HB3 ALA 160 40.931 -16.018 -64.781 No H/Q in entry = 5 In of MODEL 2 1 H ALA 161 H ALA 161 43.180 -16.325 -63.405 2 HA ALA 161 HA ALA 161 43.592 -18.032 -61.107 3 HB1 ALA 161 HB1 ALA 161 45.066 -16.060 -61.760 4 HB3 ALA 161 HB2 ALA 161 44.589 -16.102 -60.061 5 HB2 ALA 161 HB3 ALA 161 43.775 -15.008 -61.177 No H/Q in entry = 5 In of MODEL 2 1 H ASP 162 H ASP 162 41.296 -15.517 -62.007 2 HA ASP 162 HA ASP 162 39.255 -16.543 -60.270 3 HB2 ASP 162 HB2 ASP 162 39.061 -14.532 -58.782 4 HB3 ASP 162 HB3 ASP 162 40.506 -15.493 -58.473 No H/Q in entry = 4 In of MODEL 2 1 H LEU 163 H LEU 163 37.232 -15.601 -60.799 2 HA LEU 163 HA LEU 163 37.302 -13.645 -63.079 3 HB2 LEU 163 HB2 LEU 163 35.979 -16.171 -62.688 4 HB3 LEU 163 HB3 LEU 163 34.762 -14.917 -62.892 5 HG LEU 163 HG LEU 163 36.086 -14.118 -64.915 6 HD13 LEU 163 HD11 LEU 163 37.802 -15.442 -65.879 7 HD12 LEU 163 HD12 LEU 163 37.352 -16.876 -64.958 8 HD11 LEU 163 HD13 LEU 163 38.161 -15.535 -64.159 9 HD21 LEU 163 HD21 LEU 163 33.998 -15.560 -64.992 10 HD23 LEU 163 HD22 LEU 163 35.061 -16.953 -65.197 11 HD22 LEU 163 HD23 LEU 163 35.042 -15.668 -66.403 No H/Q in entry = 11 In of MODEL 2 1 H THR 164 H THR 164 36.104 -11.766 -62.906 2 HA THR 164 HA THR 164 34.842 -11.216 -60.284 3 HB THR 164 HB THR 164 34.770 -8.861 -61.105 4 HG1 THR 164 HG1 THR 164 36.373 -9.037 -63.167 5 HG21 THR 164 HG21 THR 164 36.767 -9.740 -59.911 6 HG23 THR 164 HG22 THR 164 37.188 -8.488 -61.077 7 HG22 THR 164 HG23 THR 164 37.477 -10.186 -61.464 No H/Q in entry = 7 In of MODEL 2 1 HA PRO 165 HA PRO 165 30.614 -11.893 -61.552 2 HB2 PRO 165 HB2 PRO 165 30.229 -9.012 -60.758 3 HB3 PRO 165 HB3 PRO 165 29.226 -10.426 -60.373 4 HG2 PRO 165 HG2 PRO 165 30.943 -9.407 -58.593 5 HG3 PRO 165 HG3 PRO 165 30.640 -11.148 -58.706 6 HD2 PRO 165 HD2 PRO 165 33.067 -9.623 -59.488 7 HD3 PRO 165 HD3 PRO 165 32.896 -11.349 -59.102 No H/Q in entry = 7 In of MODEL 2 1 H SER 166 H SER 166 32.148 -8.848 -62.574 2 HA SER 166 HA SER 166 30.371 -8.187 -64.675 3 HB2 SER 166 HB2 SER 166 32.134 -6.658 -63.853 4 HB3 SER 166 HB3 SER 166 33.363 -7.709 -64.561 5 HG SER 166 HG SER 166 31.461 -7.148 -66.373 No H/Q in entry = 5 In of MODEL 2 1 H GLU 167 H GLU 167 33.227 -10.314 -64.694 2 HA GLU 167 HA GLU 167 33.153 -10.757 -67.536 3 HB2 GLU 167 HB2 GLU 167 34.321 -12.455 -65.305 4 HB3 GLU 167 HB3 GLU 167 34.623 -12.701 -67.026 5 HG2 GLU 167 HG2 GLU 167 35.223 -10.131 -65.533 6 HG3 GLU 167 HG3 GLU 167 36.423 -11.367 -65.909 No H/Q in entry = 6 In of MODEL 2 1 H THR 168 H THR 168 31.767 -12.530 -64.779 2 HA THR 168 HA THR 168 30.846 -14.790 -66.153 3 HB THR 168 HB THR 168 29.515 -13.362 -63.857 4 HG1 THR 168 HG1 THR 168 30.871 -14.408 -62.620 5 HG22 THR 168 HG21 THR 168 28.578 -15.697 -63.428 6 HG21 THR 168 HG22 THR 168 29.056 -16.080 -65.081 7 HG23 THR 168 HG23 THR 168 27.871 -14.806 -64.780 No H/Q in entry = 7 In of MODEL 2 1 H ALA 169 H ALA 169 29.414 -11.570 -66.148 2 HA ALA 169 HA ALA 169 26.896 -12.441 -67.301 3 HB1 ALA 169 HB1 ALA 169 26.872 -10.344 -66.190 4 HB3 ALA 169 HB2 ALA 169 26.692 -9.972 -67.904 5 HB2 ALA 169 HB3 ALA 169 28.254 -9.753 -67.108 No H/Q in entry = 5 In of MODEL 2 1 H GLN 170 H GLN 170 29.723 -10.773 -68.691 2 HA GLN 170 HA GLN 170 28.732 -11.218 -71.414 3 HB2 GLN 170 HB2 GLN 170 30.889 -9.637 -70.137 4 HB3 GLN 170 HB3 GLN 170 31.290 -10.304 -71.717 5 HG2 GLN 170 HG2 GLN 170 28.652 -8.923 -71.254 6 HG3 GLN 170 HG3 GLN 170 30.099 -7.994 -71.638 7 HE21 GLN 170 HE21 GLN 170 30.170 -7.546 -73.829 8 HE22 GLN 170 HE22 GLN 170 29.695 -8.609 -75.063 No H/Q in entry = 8 In of MODEL 2 1 H LEU 171 H LEU 171 29.218 -13.592 -69.863 2 HA LEU 171 HA LEU 171 31.666 -14.723 -71.135 3 HB2 LEU 171 HB2 LEU 171 30.833 -14.782 -68.538 4 HB3 LEU 171 HB3 LEU 171 30.112 -16.268 -69.132 5 HG LEU 171 HG LEU 171 33.023 -15.691 -69.676 6 HD11 LEU 171 HD11 LEU 171 31.825 -16.790 -67.119 7 HD13 LEU 171 HD12 LEU 171 32.909 -15.420 -67.273 8 HD12 LEU 171 HD13 LEU 171 33.505 -17.040 -67.595 9 HD23 LEU 171 HD21 LEU 171 31.618 -18.299 -69.110 10 HD22 LEU 171 HD22 LEU 171 33.144 -18.047 -69.956 11 HD21 LEU 171 HD23 LEU 171 31.625 -17.585 -70.722 No H/Q in entry = 11 In of MODEL 2 1 H ASN 172 H ASN 172 31.452 -16.423 -72.591 2 HA ASN 172 HA ASN 172 28.744 -16.976 -73.620 3 HB2 ASN 172 HB2 ASN 172 31.538 -17.487 -74.527 4 HB3 ASN 172 HB3 ASN 172 30.301 -18.612 -75.085 5 HD21 ASN 172 HD21 ASN 172 28.281 -17.495 -76.078 6 HD22 ASN 172 HD22 ASN 172 28.549 -16.090 -76.989 No H/Q in entry = 6 In of MODEL 2 1 H LEU 173 H LEU 173 27.640 -18.357 -72.232 2 HA LEU 173 HA LEU 173 28.852 -20.479 -70.740 3 HB2 LEU 173 HB2 LEU 173 25.974 -20.392 -71.662 4 HB3 LEU 173 HB3 LEU 173 26.609 -21.210 -70.241 5 HG LEU 173 HG LEU 173 26.534 -18.209 -70.700 6 HD13 LEU 173 HD11 LEU 173 24.825 -18.180 -68.904 7 HD12 LEU 173 HD12 LEU 173 25.017 -19.911 -68.650 8 HD11 LEU 173 HD13 LEU 173 24.317 -19.309 -70.150 9 HD23 LEU 173 HD21 LEU 173 27.241 -18.257 -68.190 10 HD22 LEU 173 HD22 LEU 173 28.484 -18.573 -69.401 11 HD21 LEU 173 HD23 LEU 173 27.754 -19.909 -68.510 No H/Q in entry = 11 In of MODEL 2 1 H LYS 174 H LYS 174 27.204 -20.500 -73.930 2 HA LYS 174 HA LYS 174 27.269 -23.340 -74.219 3 HB2 LYS 174 HB2 LYS 174 25.891 -21.598 -75.521 4 HB3 LYS 174 HB3 LYS 174 27.330 -21.390 -76.516 5 HG2 LYS 174 HG2 LYS 174 26.306 -23.066 -77.717 6 HG3 LYS 174 HG3 LYS 174 27.200 -24.066 -76.571 7 HD2 LYS 174 HD2 LYS 174 25.044 -24.943 -76.358 8 HD3 LYS 174 HD3 LYS 174 25.064 -23.742 -75.067 9 HE2 LYS 174 HE2 LYS 174 23.890 -22.128 -76.464 10 HE3 LYS 174 HE3 LYS 174 24.011 -23.201 -77.863 11 HZ1 LYS 174 HZ1 LYS 174 22.732 -24.858 -76.539 12 HZ3 LYS 174 HZ2 LYS 174 21.857 -23.459 -76.940 13 HZ2 LYS 174 HZ3 LYS 174 22.468 -23.659 -75.370 No H/Q in entry = 13 In of MODEL 2 1 H LYS 175 H LYS 175 29.694 -20.863 -74.977 2 HA LYS 175 HA LYS 175 31.266 -22.876 -76.498 3 HB2 LYS 175 HB2 LYS 175 32.034 -21.089 -77.605 4 HB3 LYS 175 HB3 LYS 175 31.022 -20.055 -76.594 5 HG2 LYS 175 HG2 LYS 175 33.847 -20.972 -75.987 6 HG3 LYS 175 HG3 LYS 175 33.323 -19.329 -76.352 7 HD2 LYS 175 HD2 LYS 175 31.691 -19.919 -74.253 8 HD3 LYS 175 HD3 LYS 175 33.131 -20.849 -73.829 9 HE2 LYS 175 HE2 LYS 175 34.505 -18.949 -73.774 10 HE3 LYS 175 HE3 LYS 175 33.395 -18.000 -74.761 11 HZ1 LYS 175 HZ1 LYS 175 31.867 -18.585 -72.644 12 HZ3 LYS 175 HZ2 LYS 175 32.778 -17.161 -72.788 13 HZ2 LYS 175 HZ3 LYS 175 33.391 -18.477 -71.906 No H/Q in entry = 13 In of MODEL 2 1 H VAL 176 H VAL 176 30.949 -21.932 -73.276 2 HA VAL 176 HA VAL 176 33.769 -22.705 -72.627 3 HB VAL 176 HB VAL 176 32.962 -20.630 -71.560 4 HG11 VAL 176 HG11 VAL 176 30.519 -21.696 -71.616 5 HG13 VAL 176 HG12 VAL 176 30.948 -20.460 -70.434 6 HG12 VAL 176 HG13 VAL 176 30.940 -22.164 -69.972 7 HG22 VAL 176 HG21 VAL 176 33.779 -21.129 -69.398 8 HG21 VAL 176 HG22 VAL 176 34.402 -22.503 -70.301 9 HG23 VAL 176 HG23 VAL 176 32.952 -22.682 -69.313 No H/Q in entry = 9 In of MODEL 2 1 H LEU 177 H LEU 177 33.952 -24.880 -72.359 2 HA LEU 177 HA LEU 177 31.594 -26.487 -71.677 3 HB2 LEU 177 HB2 LEU 177 32.958 -28.393 -72.154 4 HB3 LEU 177 HB3 LEU 177 33.379 -27.170 -73.352 5 HG LEU 177 HG LEU 177 35.217 -26.475 -71.610 6 HD11 LEU 177 HD11 LEU 177 34.047 -28.865 -70.437 7 HD13 LEU 177 HD12 LEU 177 35.186 -27.719 -69.733 8 HD12 LEU 177 HD13 LEU 177 35.775 -29.063 -70.711 9 HD21 LEU 177 HD21 LEU 177 35.163 -28.674 -73.612 10 HD23 LEU 177 HD22 LEU 177 36.534 -28.689 -72.498 11 HD22 LEU 177 HD23 LEU 177 36.226 -27.278 -73.512 No H/Q in entry = 11 In of MODEL 2 1 H GLY 178 H GLY 178 33.444 -24.681 -69.753 2 HA3 GLY 178 HA2 GLY 178 32.617 -25.828 -67.353 3 HA2 GLY 178 HA3 GLY 178 34.178 -26.583 -67.693 No H/Q in entry = 3 In of MODEL 2 1 H PHE 179 H PHE 179 34.168 -25.123 -65.464 2 HA PHE 179 HA PHE 179 35.669 -22.648 -66.227 3 HB2 PHE 179 HB2 PHE 179 33.912 -22.796 -63.767 4 HB3 PHE 179 HB3 PHE 179 34.594 -21.370 -64.546 5 HD1 PHE 179 HD1 PHE 179 31.764 -23.613 -64.376 6 HD2 PHE 179 HD2 PHE 179 33.762 -20.735 -66.886 7 HE1 PHE 179 HE1 PHE 179 29.696 -23.361 -65.747 8 HE2 PHE 179 HE2 PHE 179 31.700 -20.495 -68.252 9 HZ PHE 179 HZ PHE 179 29.665 -21.807 -67.677 No H/Q in entry = 9 In of MODEL 2 1 H ILE 180 H ILE 180 37.649 -22.630 -65.271 2 HA ILE 180 HA ILE 180 38.044 -24.217 -62.769 3 HB ILE 180 HB ILE 180 39.943 -24.155 -65.126 4 HG12 ILE 180 HG12 ILE 180 37.764 -25.459 -65.381 5 HG13 ILE 180 HG13 ILE 180 39.240 -26.397 -65.563 6 HG21 ILE 180 HG21 ILE 180 40.060 -25.212 -62.326 7 HG23 ILE 180 HG22 ILE 180 41.342 -24.507 -63.315 8 HG22 ILE 180 HG23 ILE 180 40.816 -26.166 -63.606 9 HD13 ILE 180 HD11 ILE 180 38.797 -27.670 -63.707 10 HD12 ILE 180 HD12 ILE 180 37.144 -27.070 -63.854 11 HD11 ILE 180 HD13 ILE 180 38.278 -26.269 -62.770 No H/Q in entry = 11 In of MODEL 2 1 H THR 181 H THR 181 38.922 -22.975 -61.210 2 HA THR 181 HA THR 181 40.806 -20.831 -61.943 3 HB THR 181 HB THR 181 39.573 -19.115 -60.691 4 HG1 THR 181 HG1 THR 181 38.402 -20.275 -59.259 5 HG23 THR 181 HG21 THR 181 37.871 -18.697 -62.318 6 HG22 THR 181 HG22 THR 181 37.723 -20.415 -62.692 7 HG21 THR 181 HG23 THR 181 39.177 -19.532 -63.154 No H/Q in entry = 7 In of MODEL 2 1 H ASP 182 H ASP 182 41.860 -19.865 -60.070 2 HA ASP 182 HA ASP 182 42.093 -21.848 -57.831 3 HB2 ASP 182 HB2 ASP 182 44.167 -19.770 -57.875 4 HB3 ASP 182 HB3 ASP 182 44.343 -21.515 -57.932 No H/Q in entry = 4 In of MODEL 2 1 H ALA 183 H ALA 183 39.997 -19.593 -58.088 2 HA ALA 183 HA ALA 183 40.609 -17.442 -56.404 3 HB1 ALA 183 HB1 ALA 183 37.996 -18.924 -56.875 4 HB2 ALA 183 HB2 ALA 183 38.571 -17.471 -57.696 5 HB3 ALA 183 HB3 ALA 183 38.108 -17.404 -55.996 No H/Q in entry = 5 In of MODEL 2 1 H GLY 184 H GLY 184 38.775 -17.495 -54.309 2 HA3 GLY 184 HA2 GLY 184 40.304 -18.864 -52.261 3 HA2 GLY 184 HA3 GLY 184 38.842 -17.912 -52.000 No H/Q in entry = 3 In of MODEL 2 1 H GLY 185 H GLY 185 36.874 -19.215 -53.364 2 HA3 GLY 185 HA2 GLY 185 36.865 -22.025 -53.372 3 HA2 GLY 185 HA3 GLY 185 36.454 -21.549 -51.726 No H/Q in entry = 3 In of MODEL 2 1 H ARG 186 H ARG 186 34.314 -22.218 -51.780 2 HA ARG 186 HA ARG 186 32.483 -21.680 -53.916 3 HB2 ARG 186 HB2 ARG 186 30.742 -22.296 -52.337 4 HB3 ARG 186 HB3 ARG 186 32.101 -23.395 -52.170 5 HG2 ARG 186 HG2 ARG 186 31.743 -22.901 -49.916 6 HG3 ARG 186 HG3 ARG 186 32.917 -21.667 -50.315 7 HD2 ARG 186 HD2 ARG 186 31.414 -19.984 -49.952 8 HD3 ARG 186 HD3 ARG 186 30.119 -20.793 -50.813 9 HE ARG 186 HE ARG 186 30.398 -22.198 -48.404 10 HH21 ARG 186 HH11 ARG 186 29.225 -21.705 -46.555 11 HH22 ARG 186 HH12 ARG 186 28.655 -20.089 -46.313 12 HH11 ARG 186 HH21 ARG 186 29.988 -18.891 -49.257 13 HH12 ARG 186 HH22 ARG 186 29.092 -18.500 -47.834 No H/Q in entry = 13 In of MODEL 2 1 H THR 187 H THR 187 33.618 -19.768 -51.227 2 HA THR 187 HA THR 187 31.446 -17.905 -51.117 3 HB THR 187 HB THR 187 32.824 -17.622 -49.290 4 HG1 THR 187 HG1 THR 187 32.710 -15.587 -50.235 5 HG23 THR 187 HG21 THR 187 34.555 -19.153 -49.822 6 HG22 THR 187 HG22 THR 187 35.379 -17.614 -49.581 7 HG21 THR 187 HG23 THR 187 35.073 -18.203 -51.216 No H/Q in entry = 7 In of MODEL 2 1 H SER 188 H SER 188 33.293 -18.625 -53.705 2 HA SER 188 HA SER 188 33.674 -15.859 -54.687 3 HB2 SER 188 HB2 SER 188 34.418 -18.591 -55.729 4 HB3 SER 188 HB3 SER 188 34.572 -17.149 -56.728 5 HG SER 188 HG SER 188 35.981 -16.295 -55.221 No H/Q in entry = 5 In of MODEL 2 1 H HIS 189 H HIS 189 32.256 -14.869 -56.064 2 HA HIS 189 HA HIS 189 29.650 -15.653 -56.531 3 HB2 HIS 189 HB2 HIS 189 31.504 -13.675 -57.532 4 HB3 HIS 189 HB3 HIS 189 30.459 -14.224 -58.834 5 HD1 HIS 189 HD1 HIS 189 28.229 -13.097 -58.963 6 HD2 HIS 189 HD2 HIS 189 29.857 -12.866 -55.124 7 HE1 HIS 189 HE1 HIS 189 26.581 -11.769 -57.566 8 HE2 HIS 189 HE2 HIS 189 27.563 -11.619 -55.213 No H/Q in entry = 8 In of MODEL 2 1 H THR 190 H THR 190 32.287 -16.031 -58.910 2 HA THR 190 HA THR 190 30.799 -17.400 -60.872 3 HB THR 190 HB THR 190 33.698 -18.010 -60.272 4 HG1 THR 190 HG1 THR 190 33.827 -15.899 -60.407 5 HG23 THR 190 HG21 THR 190 32.634 -19.350 -62.031 6 HG22 THR 190 HG22 THR 190 33.788 -18.217 -62.739 7 HG21 THR 190 HG23 THR 190 32.060 -17.879 -62.818 No H/Q in entry = 7 In of MODEL 2 1 H SER 191 H SER 191 32.359 -18.726 -57.967 2 HA SER 191 HA SER 191 32.144 -21.480 -58.636 3 HB2 SER 191 HB2 SER 191 32.432 -21.915 -56.297 4 HB3 SER 191 HB3 SER 191 33.358 -20.463 -56.647 5 HG SER 191 HG SER 191 31.283 -20.795 -54.970 No H/Q in entry = 5 In of MODEL 2 1 H ILE 192 H ILE 192 29.765 -19.309 -57.125 2 HA ILE 192 HA ILE 192 27.816 -21.311 -56.554 3 HB ILE 192 HB ILE 192 27.315 -18.391 -57.230 4 HG12 ILE 192 HG12 ILE 192 27.866 -19.687 -54.545 5 HG13 ILE 192 HG13 ILE 192 29.046 -18.751 -55.457 6 HG23 ILE 192 HG21 ILE 192 25.277 -18.611 -56.009 7 HG22 ILE 192 HG22 ILE 192 25.730 -20.194 -55.378 8 HG21 ILE 192 HG23 ILE 192 25.330 -20.010 -57.081 9 HD13 ILE 192 HD11 ILE 192 28.028 -17.285 -53.820 10 HD12 ILE 192 HD12 ILE 192 26.407 -17.744 -54.347 11 HD11 ILE 192 HD13 ILE 192 27.454 -16.813 -55.418 No H/Q in entry = 11 In of MODEL 2 1 H MET 193 H MET 193 28.476 -19.390 -59.461 2 HA MET 193 HA MET 193 26.143 -20.104 -60.921 3 HB2 MET 193 HB2 MET 193 28.919 -19.259 -61.712 4 HB3 MET 193 HB3 MET 193 27.756 -19.759 -62.940 5 HG2 MET 193 HG2 MET 193 27.493 -17.385 -62.702 6 HG3 MET 193 HG3 MET 193 26.115 -18.127 -61.896 7 HE1 MET 193 HE1 MET 193 25.628 -15.907 -60.670 8 HE3 MET 193 HE2 MET 193 26.094 -15.916 -58.969 9 HE2 MET 193 HE3 MET 193 25.329 -17.333 -59.682 No H/Q in entry = 9 In of MODEL 2 1 H ALA 194 H ALA 194 29.293 -21.807 -60.653 2 HA ALA 194 HA ALA 194 28.759 -23.798 -62.605 3 HB3 ALA 194 HB1 ALA 194 30.364 -23.910 -60.027 4 HB1 ALA 194 HB2 ALA 194 30.982 -23.651 -61.660 5 HB2 ALA 194 HB3 ALA 194 30.333 -25.226 -61.202 No H/Q in entry = 5 In of MODEL 2 1 H ARG 195 H ARG 195 27.952 -23.635 -59.153 2 HA ARG 195 HA ARG 195 26.769 -26.218 -58.937 3 HB2 ARG 195 HB2 ARG 195 26.271 -23.609 -57.498 4 HB3 ARG 195 HB3 ARG 195 25.403 -25.085 -57.074 5 HG2 ARG 195 HG2 ARG 195 28.420 -25.015 -57.234 6 HG3 ARG 195 HG3 ARG 195 27.567 -24.574 -55.755 7 HD2 ARG 195 HD2 ARG 195 27.617 -27.255 -57.166 8 HD3 ARG 195 HD3 ARG 195 28.036 -26.908 -55.493 9 HE ARG 195 HE ARG 195 25.381 -27.462 -56.484 10 HH21 ARG 195 HH11 ARG 195 23.729 -27.373 -54.942 11 HH22 ARG 195 HH12 ARG 195 23.988 -26.503 -53.468 12 HH11 ARG 195 HH21 ARG 195 27.219 -25.552 -54.282 13 HH12 ARG 195 HH22 ARG 195 25.963 -25.471 -53.094 No H/Q in entry = 13 In of MODEL 2 1 H SER 196 H SER 196 25.094 -23.075 -59.387 2 HA SER 196 HA SER 196 22.546 -24.190 -59.923 3 HB2 SER 196 HB2 SER 196 22.026 -21.943 -60.840 4 HB3 SER 196 HB3 SER 196 22.834 -21.863 -59.278 5 HG SER 196 HG SER 196 23.958 -20.472 -60.517 No H/Q in entry = 5 In of MODEL 2 1 H LEU 197 H LEU 197 25.183 -23.297 -62.165 2 HA LEU 197 HA LEU 197 23.569 -23.765 -64.528 3 HB2 LEU 197 HB2 LEU 197 26.484 -23.333 -63.983 4 HB3 LEU 197 HB3 LEU 197 26.014 -24.015 -65.541 5 HG LEU 197 HG LEU 197 26.194 -21.454 -65.402 6 HD11 LEU 197 HD11 LEU 197 25.002 -22.778 -67.188 7 HD13 LEU 197 HD12 LEU 197 24.348 -21.158 -66.922 8 HD12 LEU 197 HD13 LEU 197 23.517 -22.566 -66.263 9 HD21 LEU 197 HD21 LEU 197 24.828 -21.535 -63.149 10 HD23 LEU 197 HD22 LEU 197 23.424 -21.561 -64.215 11 HD22 LEU 197 HD23 LEU 197 24.553 -20.210 -64.273 No H/Q in entry = 11 In of MODEL 2 1 H GLU 198 H GLU 198 25.361 -25.781 -62.367 2 HA GLU 198 HA GLU 198 25.603 -28.073 -62.244 3 HB2 GLU 198 HB2 GLU 198 23.559 -28.186 -64.484 4 HB3 GLU 198 HB3 GLU 198 24.063 -29.525 -63.467 5 HG2 GLU 198 HG2 GLU 198 22.819 -26.981 -62.393 6 HG3 GLU 198 HG3 GLU 198 21.906 -28.448 -62.750 No H/Q in entry = 6 In of MODEL 2 1 H LEU 199 H LEU 199 27.564 -26.791 -63.557 2 HA LEU 199 HA LEU 199 28.233 -28.663 -65.812 3 HB2 LEU 199 HB2 LEU 199 28.454 -25.694 -65.607 4 HB3 LEU 199 HB3 LEU 199 29.799 -26.527 -66.378 5 HG LEU 199 HG LEU 199 27.940 -25.778 -67.946 6 HD12 LEU 199 HD11 LEU 199 28.272 -28.781 -67.934 7 HD11 LEU 199 HD12 LEU 199 29.618 -27.703 -68.305 8 HD13 LEU 199 HD13 LEU 199 28.179 -27.690 -69.316 9 HD23 LEU 199 HD21 LEU 199 26.394 -28.174 -66.998 10 HD22 LEU 199 HD22 LEU 199 25.814 -26.751 -67.869 11 HD21 LEU 199 HD23 LEU 199 26.183 -26.645 -66.147 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 200 HA PRO 200 31.620 -29.768 -63.115 2 HB2 PRO 200 HB2 PRO 200 33.585 -30.339 -65.042 3 HB3 PRO 200 HB3 PRO 200 32.359 -31.469 -64.453 4 HG2 PRO 200 HG2 PRO 200 32.426 -29.896 -66.972 5 HG3 PRO 200 HG3 PRO 200 31.726 -31.494 -66.653 6 HD2 PRO 200 HD2 PRO 200 30.198 -29.222 -66.901 7 HD3 PRO 200 HD3 PRO 200 29.700 -30.608 -65.902 No H/Q in entry = 7 In of MODEL 2 1 H ALA 201 H ALA 201 33.237 -28.619 -62.041 2 HA ALA 201 HA ALA 201 35.034 -26.800 -63.406 3 HB3 ALA 201 HB1 ALA 201 34.013 -24.707 -62.198 4 HB1 ALA 201 HB2 ALA 201 32.549 -25.684 -62.101 5 HB2 ALA 201 HB3 ALA 201 33.237 -25.280 -63.675 No H/Q in entry = 5 In of MODEL 2 1 H ILE 202 H ILE 202 36.610 -25.896 -62.027 2 HA ILE 202 HA ILE 202 36.522 -26.729 -59.145 3 HB ILE 202 HB ILE 202 39.049 -26.478 -60.819 4 HG12 ILE 202 HG12 ILE 202 37.496 -28.998 -60.152 5 HG13 ILE 202 HG13 ILE 202 37.553 -28.242 -61.744 6 HG21 ILE 202 HG21 ILE 202 38.388 -27.710 -58.123 7 HG23 ILE 202 HG22 ILE 202 39.468 -26.356 -58.434 8 HG22 ILE 202 HG23 ILE 202 39.919 -27.971 -58.956 9 HD11 ILE 202 HD11 ILE 202 40.009 -29.200 -60.234 10 HD13 ILE 202 HD12 ILE 202 39.957 -28.613 -61.898 11 HD12 ILE 202 HD13 ILE 202 39.188 -30.141 -61.473 No H/Q in entry = 11 In of MODEL 2 1 H VAL 203 H VAL 203 37.402 -25.132 -57.672 2 HA VAL 203 HA VAL 203 38.015 -22.460 -58.908 3 HB VAL 203 HB VAL 203 36.810 -21.458 -56.944 4 HG13 VAL 203 HG11 VAL 203 35.623 -21.494 -59.012 5 HG12 VAL 203 HG12 VAL 203 34.498 -22.135 -57.821 6 HG11 VAL 203 HG13 VAL 203 35.349 -23.230 -58.912 7 HG22 VAL 203 HG21 VAL 203 35.304 -22.894 -55.655 8 HG21 VAL 203 HG22 VAL 203 36.957 -23.489 -55.500 9 HG23 VAL 203 HG23 VAL 203 35.820 -24.304 -56.577 No H/Q in entry = 9 In of MODEL 2 1 H GLY 204 H GLY 204 38.997 -24.931 -56.787 2 HA3 GLY 204 HA2 GLY 204 40.830 -23.085 -55.292 3 HA2 GLY 204 HA3 GLY 204 40.292 -24.651 -54.700 No H/Q in entry = 3 In of MODEL 2 1 H THR 205 H THR 205 41.204 -24.396 -58.058 2 HA THR 205 HA THR 205 42.987 -26.502 -58.099 3 HB THR 205 HB THR 205 44.138 -25.162 -60.000 4 HG1 THR 205 HG1 THR 205 42.667 -23.385 -60.607 5 HG22 THR 205 HG21 THR 205 41.137 -25.430 -60.206 6 HG21 THR 205 HG22 THR 205 42.220 -26.821 -60.245 7 HG23 THR 205 HG23 THR 205 42.327 -25.590 -61.497 No H/Q in entry = 7 In of MODEL 2 1 H GLY 206 H GLY 206 43.786 -23.130 -57.346 2 HA3 GLY 206 HA2 GLY 206 45.451 -22.477 -55.725 3 HA2 GLY 206 HA3 GLY 206 46.160 -24.084 -55.834 No H/Q in entry = 3 In of MODEL 2 1 H SER 207 H SER 207 46.706 -24.369 -58.535 2 HA SER 207 HA SER 207 48.003 -21.935 -59.542 3 HB2 SER 207 HB2 SER 207 49.554 -22.782 -57.753 4 HB3 SER 207 HB3 SER 207 49.746 -24.259 -58.693 5 HG SER 207 HG SER 207 50.968 -21.909 -58.995 No H/Q in entry = 5 In of MODEL 2 1 H VAL 208 H VAL 208 46.100 -23.725 -60.709 2 HA VAL 208 HA VAL 208 47.547 -25.504 -62.527 3 HB VAL 208 HB VAL 208 44.658 -24.641 -62.282 4 HG12 VAL 208 HG11 VAL 208 44.249 -26.329 -64.146 5 HG11 VAL 208 HG12 VAL 208 45.974 -26.239 -64.478 6 HG13 VAL 208 HG13 VAL 208 44.975 -24.801 -64.660 7 HG22 VAL 208 HG21 VAL 208 44.310 -26.900 -61.627 8 HG21 VAL 208 HG22 VAL 208 45.813 -26.445 -60.826 9 HG23 VAL 208 HG23 VAL 208 45.856 -27.423 -62.293 No H/Q in entry = 9 In of MODEL 2 1 H THR 209 H THR 209 46.026 -22.299 -62.769 2 HA THR 209 HA THR 209 46.337 -21.906 -65.555 3 HB THR 209 HB THR 209 45.853 -19.684 -65.162 4 HG1 THR 209 HG1 THR 209 47.297 -18.615 -64.116 5 HG22 THR 209 HG21 THR 209 45.314 -20.597 -62.340 6 HG21 THR 209 HG22 THR 209 44.370 -21.250 -63.679 7 HG23 THR 209 HG23 THR 209 44.344 -19.518 -63.337 No H/Q in entry = 7 In of MODEL 2 1 H SER 210 H SER 210 48.776 -21.692 -63.008 2 HA SER 210 HA SER 210 50.736 -20.392 -64.734 3 HB2 SER 210 HB2 SER 210 51.016 -21.847 -62.094 4 HB3 SER 210 HB3 SER 210 52.331 -20.987 -62.887 5 HG SER 210 HG SER 210 50.276 -19.356 -62.864 No H/Q in entry = 5 In of MODEL 2 1 H GLN 211 H GLN 211 49.537 -23.541 -64.409 2 HA GLN 211 HA GLN 211 51.998 -24.781 -65.543 3 HB2 GLN 211 HB2 GLN 211 50.778 -25.776 -63.541 4 HB3 GLN 211 HB3 GLN 211 49.458 -26.157 -64.640 5 HG2 GLN 211 HG2 GLN 211 50.907 -28.148 -64.451 6 HG3 GLN 211 HG3 GLN 211 51.105 -27.467 -66.062 7 HE21 GLN 211 HE21 GLN 211 53.278 -27.760 -66.589 8 HE22 GLN 211 HE22 GLN 211 54.583 -27.360 -65.579 No H/Q in entry = 8 In of MODEL 2 1 H VAL 212 H VAL 212 48.938 -23.560 -66.457 2 HA VAL 212 HA VAL 212 48.887 -25.237 -68.948 3 HB VAL 212 HB VAL 212 46.706 -23.537 -67.691 4 HG12 VAL 212 HG11 VAL 212 46.536 -25.467 -70.019 5 HG11 VAL 212 HG12 VAL 212 46.586 -23.716 -70.203 6 HG13 VAL 212 HG13 VAL 212 45.241 -24.469 -69.367 7 HG22 VAL 212 HG21 VAL 212 47.107 -25.494 -66.375 8 HG21 VAL 212 HG22 VAL 212 47.237 -26.507 -67.811 9 HG23 VAL 212 HG23 VAL 212 45.675 -25.816 -67.354 No H/Q in entry = 9 In of MODEL 2 1 H LYS 213 H LYS 213 48.937 -24.311 -70.944 2 HA LYS 213 HA LYS 213 49.355 -21.344 -71.122 3 HB2 LYS 213 HB2 LYS 213 50.344 -23.641 -72.856 4 HB3 LYS 213 HB3 LYS 213 50.345 -21.975 -73.417 5 HG2 LYS 213 HG2 LYS 213 52.522 -22.318 -72.548 6 HG3 LYS 213 HG3 LYS 213 51.672 -21.403 -71.303 7 HD2 LYS 213 HD2 LYS 213 51.460 -23.258 -69.891 8 HD3 LYS 213 HD3 LYS 213 51.687 -24.420 -71.196 9 HE2 LYS 213 HE2 LYS 213 53.922 -24.491 -70.788 10 HE3 LYS 213 HE3 LYS 213 54.062 -22.741 -70.947 11 HZ2 LYS 213 HZ1 LYS 213 54.011 -24.332 -68.590 12 HZ1 LYS 213 HZ2 LYS 213 52.796 -23.146 -68.545 13 HZ3 LYS 213 HZ3 LYS 213 54.416 -22.693 -68.777 No H/Q in entry = 13 In of MODEL 2 1 H ASN 214 H ASN 214 48.170 -20.370 -73.020 2 HA ASN 214 HA ASN 214 45.535 -21.449 -73.288 3 HB2 ASN 214 HB2 ASN 214 45.165 -19.802 -75.013 4 HB3 ASN 214 HB3 ASN 214 46.164 -19.054 -73.770 5 HD21 ASN 214 HD21 ASN 214 46.288 -17.877 -76.256 6 HD22 ASN 214 HD22 ASN 214 47.747 -18.252 -77.036 No H/Q in entry = 6 In of MODEL 2 1 H ASP 215 H ASP 215 44.575 -22.510 -75.075 2 HA ASP 215 HA ASP 215 44.415 -23.934 -76.905 3 HB2 ASP 215 HB2 ASP 215 46.910 -22.496 -77.484 4 HB3 ASP 215 HB3 ASP 215 46.988 -24.150 -78.050 No H/Q in entry = 4 In of MODEL 2 1 H ASP 216 H ASP 216 45.851 -24.570 -74.139 2 HA ASP 216 HA ASP 216 47.233 -27.064 -74.857 3 HB2 ASP 216 HB2 ASP 216 46.784 -25.474 -72.412 4 HB3 ASP 216 HB3 ASP 216 46.648 -27.197 -72.112 No H/Q in entry = 4 In of MODEL 2 1 H TYR 217 H TYR 217 46.342 -29.139 -74.652 2 HA TYR 217 HA TYR 217 43.366 -29.230 -74.609 3 HB2 TYR 217 HB2 TYR 217 44.706 -30.434 -76.395 4 HB3 TYR 217 HB3 TYR 217 45.311 -31.506 -75.132 5 HD1 TYR 217 HD1 TYR 217 42.418 -30.569 -77.192 6 HD2 TYR 217 HD2 TYR 217 43.760 -33.023 -73.908 7 HE1 TYR 217 HE1 TYR 217 40.359 -31.953 -77.380 8 HE2 TYR 217 HE2 TYR 217 41.702 -34.403 -74.102 9 HH TYR 217 HH TYR 217 39.667 -34.324 -76.771 No H/Q in entry = 9 In of MODEL 2 1 H LEU 218 H LEU 218 42.366 -29.705 -72.708 2 HA LEU 218 HA LEU 218 43.864 -31.338 -70.664 3 HB2 LEU 218 HB2 LEU 218 42.004 -29.002 -70.144 4 HB3 LEU 218 HB3 LEU 218 42.860 -29.941 -68.924 5 HG LEU 218 HG LEU 218 44.180 -28.292 -71.094 6 HD12 LEU 218 HD11 LEU 218 43.899 -27.737 -68.129 7 HD11 LEU 218 HD12 LEU 218 42.940 -26.964 -69.394 8 HD13 LEU 218 HD13 LEU 218 44.682 -26.708 -69.327 9 HD22 LEU 218 HD21 LEU 218 45.827 -29.825 -70.549 10 HD21 LEU 218 HD22 LEU 218 45.194 -30.110 -68.925 11 HD23 LEU 218 HD23 LEU 218 46.118 -28.646 -69.273 No H/Q in entry = 11 In of MODEL 2 1 H ILE 219 H ILE 219 42.600 -32.766 -69.429 2 HA ILE 219 HA ILE 219 39.710 -33.006 -70.257 3 HB ILE 219 HB ILE 219 41.571 -35.226 -69.337 4 HG12 ILE 219 HG12 ILE 219 40.374 -34.678 -72.073 5 HG13 ILE 219 HG13 ILE 219 42.047 -34.348 -71.641 6 HG22 ILE 219 HG21 ILE 219 38.727 -35.264 -70.383 7 HG21 ILE 219 HG22 ILE 219 39.193 -35.520 -68.702 8 HG23 ILE 219 HG23 ILE 219 39.676 -36.683 -69.932 9 HD12 ILE 219 HD11 ILE 219 40.676 -36.994 -72.002 10 HD11 ILE 219 HD12 ILE 219 42.051 -36.891 -70.902 11 HD13 ILE 219 HD13 ILE 219 42.243 -36.466 -72.602 No H/Q in entry = 11 In of MODEL 2 1 H LEU 220 H LEU 220 38.339 -32.611 -68.572 2 HA LEU 220 HA LEU 220 39.510 -32.364 -65.850 3 HB2 LEU 220 HB2 LEU 220 38.353 -30.415 -66.638 4 HB3 LEU 220 HB3 LEU 220 36.978 -31.369 -67.181 5 HG LEU 220 HG LEU 220 36.388 -31.894 -64.869 6 HD12 LEU 220 HD11 LEU 220 37.710 -30.618 -63.060 7 HD11 LEU 220 HD12 LEU 220 38.970 -30.437 -64.283 8 HD13 LEU 220 HD13 LEU 220 38.478 -32.047 -63.756 9 HD22 LEU 220 HD21 LEU 220 35.687 -29.682 -64.188 10 HD21 LEU 220 HD22 LEU 220 35.679 -29.707 -65.953 11 HD23 LEU 220 HD23 LEU 220 37.006 -28.931 -65.088 No H/Q in entry = 11 In of MODEL 2 1 H ASP 221 H ASP 221 39.253 -34.086 -64.525 2 HA ASP 221 HA ASP 221 37.331 -36.194 -65.129 3 HB2 ASP 221 HB2 ASP 221 38.219 -37.327 -63.178 4 HB3 ASP 221 HB3 ASP 221 39.586 -36.600 -64.023 No H/Q in entry = 4 In of MODEL 2 1 H ALA 222 H ALA 222 37.670 -33.701 -62.620 2 HA ALA 222 HA ALA 222 36.106 -32.898 -61.062 3 HB2 ALA 222 HB1 ALA 222 34.796 -31.756 -62.569 4 HB1 ALA 222 HB2 ALA 222 33.662 -33.085 -62.355 5 HB3 ALA 222 HB3 ALA 222 34.792 -33.106 -63.703 No H/Q in entry = 5 In of MODEL 2 1 H VAL 223 H VAL 223 36.546 -35.944 -61.557 2 HA VAL 223 HA VAL 223 34.330 -36.852 -59.758 3 HB VAL 223 HB VAL 223 35.328 -38.059 -62.314 4 HG12 VAL 223 HG11 VAL 223 34.368 -40.276 -61.420 5 HG11 VAL 223 HG12 VAL 223 34.572 -39.573 -59.813 6 HG13 VAL 223 HG13 VAL 223 35.975 -39.816 -60.853 7 HG21 VAL 223 HG21 VAL 223 33.072 -36.898 -61.928 8 HG23 VAL 223 HG22 VAL 223 32.643 -38.291 -60.935 9 HG22 VAL 223 HG23 VAL 223 33.005 -38.510 -62.647 No H/Q in entry = 9 In of MODEL 2 1 H ASN 224 H ASN 224 37.584 -37.486 -61.037 2 HA ASN 224 HA ASN 224 38.344 -38.764 -58.440 3 HB2 ASN 224 HB2 ASN 224 39.000 -39.941 -60.567 4 HB3 ASN 224 HB3 ASN 224 39.959 -38.530 -61.011 5 HD21 ASN 224 HD21 ASN 224 41.995 -39.727 -60.873 6 HD22 ASN 224 HD22 ASN 224 42.637 -40.203 -59.375 No H/Q in entry = 6 In of MODEL 2 1 H ASN 225 H ASN 225 38.040 -35.834 -59.786 2 HA ASN 225 HA ASN 225 38.910 -33.726 -59.314 3 HB2 ASN 225 HB2 ASN 225 40.272 -35.126 -56.994 4 HB3 ASN 225 HB3 ASN 225 39.895 -33.407 -57.116 5 HD21 ASN 225 HD21 ASN 225 38.706 -34.057 -54.966 6 HD22 ASN 225 HD22 ASN 225 37.097 -34.581 -55.117 No H/Q in entry = 6 In of MODEL 2 1 H GLN 226 H GLN 226 40.276 -35.115 -61.274 2 HA GLN 226 HA GLN 226 43.106 -34.215 -60.802 3 HB2 GLN 226 HB2 GLN 226 42.917 -36.722 -60.630 4 HB3 GLN 226 HB3 GLN 226 42.311 -36.745 -62.286 5 HG2 GLN 226 HG2 GLN 226 44.380 -35.827 -63.130 6 HG3 GLN 226 HG3 GLN 226 44.973 -35.530 -61.494 7 HE21 GLN 226 HE21 GLN 226 44.682 -37.813 -60.105 8 HE22 GLN 226 HE22 GLN 226 45.377 -39.149 -60.892 No H/Q in entry = 8 In of MODEL 2 1 H VAL 227 H VAL 227 44.212 -33.607 -62.757 2 HA VAL 227 HA VAL 227 42.437 -33.143 -65.120 3 HB VAL 227 HB VAL 227 44.590 -31.295 -64.037 4 HG12 VAL 227 HG11 VAL 227 43.671 -29.773 -65.854 5 HG11 VAL 227 HG12 VAL 227 42.824 -31.178 -66.495 6 HG13 VAL 227 HG13 VAL 227 44.587 -31.161 -66.437 7 HG22 VAL 227 HG21 VAL 227 42.906 -29.966 -63.181 8 HG21 VAL 227 HG22 VAL 227 42.117 -31.535 -63.024 9 HG23 VAL 227 HG23 VAL 227 41.736 -30.490 -64.393 No H/Q in entry = 9 In of MODEL 2 1 H TYR 228 H TYR 228 43.266 -33.948 -66.988 2 HA TYR 228 HA TYR 228 46.065 -34.984 -66.920 3 HB2 TYR 228 HB2 TYR 228 43.692 -35.714 -68.653 4 HB3 TYR 228 HB3 TYR 228 45.326 -36.307 -68.954 5 HD1 TYR 228 HD1 TYR 228 42.414 -36.463 -66.717 6 HD2 TYR 228 HD2 TYR 228 46.433 -37.833 -67.379 7 HE1 TYR 228 HE1 TYR 228 42.090 -38.236 -65.011 8 HE2 TYR 228 HE2 TYR 228 46.108 -39.607 -65.674 9 HH TYR 228 HH TYR 228 44.756 -40.420 -64.107 No H/Q in entry = 9 In of MODEL 2 1 H VAL 229 H VAL 229 47.553 -33.865 -68.004 2 HA VAL 229 HA VAL 229 46.702 -31.844 -70.004 3 HB VAL 229 HB VAL 229 49.391 -32.174 -68.642 4 HG12 VAL 229 HG11 VAL 229 49.562 -29.732 -69.419 5 HG11 VAL 229 HG12 VAL 229 48.185 -30.084 -70.467 6 HG13 VAL 229 HG13 VAL 229 49.699 -30.967 -70.671 7 HG22 VAL 229 HG21 VAL 229 48.695 -30.652 -67.024 8 HG21 VAL 229 HG22 VAL 229 47.194 -31.539 -67.296 9 HG23 VAL 229 HG23 VAL 229 47.441 -29.967 -68.058 No H/Q in entry = 9 In of MODEL 2 1 H ASN 230 H ASN 230 46.776 -32.538 -72.102 2 HA ASN 230 HA ASN 230 47.508 -33.619 -74.034 3 HB2 ASN 230 HB2 ASN 230 49.435 -32.060 -73.578 4 HB3 ASN 230 HB3 ASN 230 50.246 -33.398 -72.763 5 HD21 ASN 230 HD21 ASN 230 51.591 -32.439 -74.944 6 HD22 ASN 230 HD22 ASN 230 51.429 -33.486 -76.271 No H/Q in entry = 6 In of MODEL 2 1 HA PRO 231 HA PRO 231 48.395 -37.579 -71.558 2 HB2 PRO 231 HB2 PRO 231 45.889 -38.423 -70.934 3 HB3 PRO 231 HB3 PRO 231 46.815 -37.321 -69.892 4 HG2 PRO 231 HG2 PRO 231 44.607 -36.726 -71.793 5 HG3 PRO 231 HG3 PRO 231 44.954 -36.017 -70.207 6 HD2 PRO 231 HD2 PRO 231 45.588 -34.812 -72.627 7 HD3 PRO 231 HD3 PRO 231 46.395 -34.453 -71.084 No H/Q in entry = 7 In of MODEL 2 1 H THR 232 H THR 232 48.238 -39.670 -72.429 2 HA THR 232 HA THR 232 47.770 -39.913 -75.180 3 HB THR 232 HB THR 232 48.102 -41.886 -72.940 4 HG1 THR 232 HG1 THR 232 50.044 -41.456 -73.594 5 HG22 THR 232 HG21 THR 232 48.131 -43.656 -74.762 6 HG21 THR 232 HG22 THR 232 47.353 -42.471 -75.811 7 HG23 THR 232 HG23 THR 232 46.535 -43.025 -74.349 No H/Q in entry = 7 In of MODEL 2 1 H ASN 233 H ASN 233 46.267 -42.183 -75.586 2 HA ASN 233 HA ASN 233 43.574 -41.099 -75.322 3 HB2 ASN 233 HB2 ASN 233 44.940 -43.004 -77.084 4 HB3 ASN 233 HB3 ASN 233 43.323 -43.519 -76.610 5 HD21 ASN 233 HD21 ASN 233 45.071 -41.392 -78.686 6 HD22 ASN 233 HD22 ASN 233 43.738 -40.513 -79.265 No H/Q in entry = 6 In of MODEL 2 1 H GLU 234 H GLU 234 45.574 -43.299 -73.674 2 HA GLU 234 HA GLU 234 43.631 -45.186 -72.805 3 HB2 GLU 234 HB2 GLU 234 45.291 -46.027 -71.407 4 HB3 GLU 234 HB3 GLU 234 46.245 -45.261 -72.678 5 HG2 GLU 234 HG2 GLU 234 46.355 -43.191 -71.262 6 HG3 GLU 234 HG3 GLU 234 45.559 -44.090 -69.970 No H/Q in entry = 6 In of MODEL 2 1 H VAL 235 H VAL 235 44.547 -41.982 -71.747 2 HA VAL 235 HA VAL 235 42.923 -42.193 -69.318 3 HB VAL 235 HB VAL 235 44.681 -39.982 -70.419 4 HG11 VAL 235 HG11 VAL 235 42.516 -39.460 -68.955 5 HG13 VAL 235 HG12 VAL 235 44.035 -38.612 -68.673 6 HG12 VAL 235 HG13 VAL 235 43.577 -39.967 -67.639 7 HG22 VAL 235 HG21 VAL 235 46.087 -40.537 -68.469 8 HG21 VAL 235 HG22 VAL 235 45.875 -41.950 -69.506 9 HG23 VAL 235 HG23 VAL 235 44.954 -41.808 -68.007 No H/Q in entry = 9 In of MODEL 2 1 H ILE 236 H ILE 236 43.055 -40.492 -72.451 2 HA ILE 236 HA ILE 236 40.749 -38.881 -72.133 3 HB ILE 236 HB ILE 236 41.703 -40.185 -74.700 4 HG12 ILE 236 HG12 ILE 236 42.615 -37.600 -73.392 5 HG13 ILE 236 HG13 ILE 236 43.585 -39.065 -73.555 6 HG23 ILE 236 HG21 ILE 236 39.537 -39.089 -74.885 7 HG22 ILE 236 HG22 ILE 236 40.750 -38.086 -75.681 8 HG21 ILE 236 HG23 ILE 236 40.159 -37.649 -74.077 9 HD11 ILE 236 HD11 ILE 236 43.082 -38.852 -76.094 10 HD13 ILE 236 HD12 ILE 236 44.272 -37.759 -75.391 11 HD12 ILE 236 HD13 ILE 236 42.635 -37.189 -75.715 No H/Q in entry = 11 In of MODEL 2 1 H ASP 237 H ASP 237 41.295 -42.231 -72.464 2 HA ASP 237 HA ASP 237 38.594 -42.762 -73.335 3 HB2 ASP 237 HB2 ASP 237 41.011 -44.437 -72.946 4 HB3 ASP 237 HB3 ASP 237 39.428 -45.204 -72.983 No H/Q in entry = 4 In of MODEL 2 1 H LYS 238 H LYS 238 40.440 -43.672 -70.420 2 HA LYS 238 HA LYS 238 38.528 -44.777 -68.771 3 HB2 LYS 238 HB2 LYS 238 40.599 -42.709 -68.054 4 HB3 LYS 238 HB3 LYS 238 39.680 -43.627 -66.890 5 HG2 LYS 238 HG2 LYS 238 40.759 -45.683 -67.676 6 HG3 LYS 238 HG3 LYS 238 41.683 -44.737 -68.849 7 HD2 LYS 238 HD2 LYS 238 42.953 -43.681 -67.215 8 HD3 LYS 238 HD3 LYS 238 41.721 -43.876 -65.981 9 HE2 LYS 238 HE2 LYS 238 42.522 -46.484 -66.659 10 HE3 LYS 238 HE3 LYS 238 44.007 -45.538 -66.552 11 HZ3 LYS 238 HZ1 LYS 238 43.764 -45.895 -64.357 12 HZ2 LYS 238 HZ2 LYS 238 42.105 -46.234 -64.476 13 HZ1 LYS 238 HZ3 LYS 238 42.646 -44.625 -64.437 No H/Q in entry = 13 In of MODEL 2 1 H MET 239 H MET 239 39.292 -41.342 -69.119 2 HA MET 239 HA MET 239 37.321 -40.248 -67.490 3 HB2 MET 239 HB2 MET 239 38.779 -39.176 -69.889 4 HB3 MET 239 HB3 MET 239 37.626 -38.214 -68.986 5 HG2 MET 239 HG2 MET 239 40.294 -39.259 -68.141 6 HG3 MET 239 HG3 MET 239 39.675 -37.615 -68.085 7 HE1 MET 239 HE1 MET 239 37.597 -36.755 -66.458 8 HE3 MET 239 HE2 MET 239 36.980 -37.595 -65.038 9 HE2 MET 239 HE3 MET 239 36.520 -38.151 -66.645 No H/Q in entry = 9 In of MODEL 2 1 H ARG 240 H ARG 240 37.248 -40.912 -70.982 2 HA ARG 240 HA ARG 240 34.724 -39.825 -71.426 3 HB2 ARG 240 HB2 ARG 240 36.643 -41.082 -72.975 4 HB3 ARG 240 HB3 ARG 240 35.257 -42.153 -73.083 5 HG2 ARG 240 HG2 ARG 240 34.887 -40.707 -74.868 6 HG3 ARG 240 HG3 ARG 240 33.921 -39.967 -73.603 7 HD2 ARG 240 HD2 ARG 240 36.012 -38.508 -73.132 8 HD3 ARG 240 HD3 ARG 240 36.608 -39.075 -74.678 9 HE ARG 240 HE ARG 240 33.982 -37.944 -74.883 10 HH21 ARG 240 HH11 ARG 240 33.711 -35.917 -75.938 11 HH22 ARG 240 HH12 ARG 240 35.098 -34.908 -76.195 12 HH11 ARG 240 HH21 ARG 240 37.362 -37.087 -74.713 13 HH12 ARG 240 HH22 ARG 240 37.138 -35.565 -75.508 No H/Q in entry = 13 In of MODEL 2 1 H ALA 241 H ALA 241 35.689 -42.933 -70.132 2 HA ALA 241 HA ALA 241 33.010 -44.021 -70.158 3 HB1 ALA 241 HB1 ALA 241 35.194 -45.384 -70.183 4 HB2 ALA 241 HB2 ALA 241 33.889 -45.948 -69.142 5 HB3 ALA 241 HB3 ALA 241 35.253 -45.073 -68.448 No H/Q in entry = 5 In of MODEL 2 1 H VAL 242 H VAL 242 34.979 -42.163 -67.988 2 HA VAL 242 HA VAL 242 33.453 -42.602 -65.617 3 HB VAL 242 HB VAL 242 35.259 -40.271 -66.333 4 HG11 VAL 242 HG11 VAL 242 33.734 -39.719 -64.532 5 HG13 VAL 242 HG12 VAL 242 35.390 -39.871 -63.943 6 HG12 VAL 242 HG13 VAL 242 34.229 -41.170 -63.658 7 HG23 VAL 242 HG21 VAL 242 36.123 -42.338 -64.401 8 HG22 VAL 242 HG22 VAL 242 37.053 -41.472 -65.622 9 HG21 VAL 242 HG23 VAL 242 36.045 -42.842 -66.090 No H/Q in entry = 9 In of MODEL 2 1 H GLN 243 H GLN 243 33.430 -40.353 -68.226 2 HA GLN 243 HA GLN 243 31.352 -38.595 -67.495 3 HB2 GLN 243 HB2 GLN 243 33.136 -38.393 -69.252 4 HB3 GLN 243 HB3 GLN 243 32.177 -39.485 -70.228 5 HG2 GLN 243 HG2 GLN 243 30.845 -37.121 -69.125 6 HG3 GLN 243 HG3 GLN 243 32.029 -36.877 -70.406 7 HE21 GLN 243 HE21 GLN 243 30.509 -36.313 -71.998 8 HE22 GLN 243 HE22 GLN 243 29.419 -37.435 -72.655 No H/Q in entry = 8 In of MODEL 2 1 H GLU 244 H GLU 244 31.378 -41.714 -69.160 2 HA GLU 244 HA GLU 244 28.635 -41.786 -69.877 3 HB2 GLU 244 HB2 GLU 244 30.288 -43.381 -70.751 4 HB3 GLU 244 HB3 GLU 244 30.455 -44.079 -69.152 5 HG2 GLU 244 HG2 GLU 244 28.129 -44.895 -69.228 6 HG3 GLU 244 HG3 GLU 244 27.860 -44.083 -70.763 No H/Q in entry = 6 In of MODEL 2 1 H GLN 245 H GLN 245 30.321 -42.811 -66.910 2 HA GLN 245 HA GLN 245 28.087 -43.962 -65.629 3 HB2 GLN 245 HB2 GLN 245 30.473 -42.562 -64.415 4 HB3 GLN 245 HB3 GLN 245 29.334 -43.555 -63.528 5 HG2 GLN 245 HG2 GLN 245 30.029 -45.492 -64.955 6 HG3 GLN 245 HG3 GLN 245 31.267 -44.456 -65.660 7 HE21 GLN 245 HE21 GLN 245 33.127 -43.947 -64.466 8 HE22 GLN 245 HE22 GLN 245 33.492 -44.644 -62.965 No H/Q in entry = 8 In of MODEL 2 1 H VAL 246 H VAL 246 29.518 -40.768 -65.518 2 HA VAL 246 HA VAL 246 27.863 -39.445 -63.764 3 HB VAL 246 HB VAL 246 29.597 -38.689 -66.040 4 HG12 VAL 246 HG11 VAL 246 29.049 -36.233 -65.652 5 HG11 VAL 246 HG12 VAL 246 27.569 -36.775 -64.862 6 HG13 VAL 246 HG13 VAL 246 27.849 -37.151 -66.562 7 HG22 VAL 246 HG21 VAL 246 30.722 -37.423 -64.288 8 HG21 VAL 246 HG22 VAL 246 30.471 -39.102 -63.806 9 HG23 VAL 246 HG23 VAL 246 29.431 -37.833 -63.156 No H/Q in entry = 9 In of MODEL 2 1 H ALA 247 H ALA 247 27.447 -39.877 -67.263 2 HA ALA 247 HA ALA 247 24.991 -38.491 -67.434 3 HB1 ALA 247 HB1 ALA 247 26.132 -40.568 -69.288 4 HB2 ALA 247 HB2 ALA 247 26.425 -38.830 -69.356 5 HB3 ALA 247 HB3 ALA 247 24.805 -39.464 -69.655 No H/Q in entry = 5 In of MODEL 2 1 H SER 248 H SER 248 25.673 -41.910 -66.819 2 HA SER 248 HA SER 248 22.969 -42.817 -66.977 3 HB2 SER 248 HB2 SER 248 25.256 -43.951 -65.373 4 HB3 SER 248 HB3 SER 248 23.742 -44.762 -65.735 5 HG SER 248 HG SER 248 25.181 -43.760 -67.874 No H/Q in entry = 5 In of MODEL 2 1 H GLU 249 H GLU 249 25.051 -41.575 -64.393 2 HA GLU 249 HA GLU 249 23.318 -42.031 -62.243 3 HB2 GLU 249 HB2 GLU 249 25.307 -39.836 -62.718 4 HB3 GLU 249 HB3 GLU 249 24.402 -40.001 -61.222 5 HG2 GLU 249 HG2 GLU 249 26.162 -42.156 -62.386 6 HG3 GLU 249 HG3 GLU 249 26.687 -41.011 -61.165 No H/Q in entry = 6 In of MODEL 2 1 H LYS 250 H LYS 250 23.426 -39.358 -64.595 2 HA LYS 250 HA LYS 250 21.372 -37.842 -63.372 3 HB2 LYS 250 HB2 LYS 250 22.804 -36.921 -65.185 4 HB3 LYS 250 HB3 LYS 250 21.994 -37.975 -66.326 5 HG2 LYS 250 HG2 LYS 250 19.881 -36.824 -65.836 6 HG3 LYS 250 HG3 LYS 250 20.741 -35.750 -64.742 7 HD2 LYS 250 HD2 LYS 250 21.505 -36.049 -67.640 8 HD3 LYS 250 HD3 LYS 250 20.310 -34.871 -67.087 9 HE2 LYS 250 HE2 LYS 250 23.223 -35.058 -66.387 10 HE3 LYS 250 HE3 LYS 250 22.352 -33.700 -67.091 11 HZ2 LYS 250 HZ1 LYS 250 22.197 -34.731 -64.340 12 HZ1 LYS 250 HZ2 LYS 250 21.068 -33.635 -64.982 13 HZ3 LYS 250 HZ3 LYS 250 22.707 -33.201 -64.858 No H/Q in entry = 13 In of MODEL 2 1 H ALA 251 H ALA 251 21.322 -40.103 -66.074 2 HA ALA 251 HA ALA 251 18.647 -40.182 -66.600 3 HB2 ALA 251 HB1 ALA 251 20.651 -42.394 -66.747 4 HB1 ALA 251 HB2 ALA 251 20.147 -41.291 -68.029 5 HB3 ALA 251 HB3 ALA 251 19.019 -42.497 -67.405 No H/Q in entry = 5 In of MODEL 2 1 H GLU 252 H GLU 252 20.298 -42.004 -64.026 2 HA GLU 252 HA GLU 252 17.922 -43.445 -63.294 3 HB2 GLU 252 HB2 GLU 252 20.488 -42.975 -61.787 4 HB3 GLU 252 HB3 GLU 252 19.202 -44.042 -61.253 5 HG2 GLU 252 HG2 GLU 252 20.766 -44.334 -63.828 6 HG3 GLU 252 HG3 GLU 252 21.038 -45.263 -62.366 No H/Q in entry = 6 In of MODEL 2 1 H LEU 253 H LEU 253 19.660 -40.732 -61.756 2 HA LEU 253 HA LEU 253 17.872 -40.166 -59.680 3 HB2 LEU 253 HB2 LEU 253 19.775 -38.470 -61.281 4 HB3 LEU 253 HB3 LEU 253 18.785 -37.778 -59.995 5 HG LEU 253 HG LEU 253 20.600 -40.178 -59.616 6 HD12 LEU 253 HD11 LEU 253 21.521 -37.910 -58.181 7 HD11 LEU 253 HD12 LEU 253 21.251 -37.384 -59.842 8 HD13 LEU 253 HD13 LEU 253 22.324 -38.744 -59.511 9 HD22 LEU 253 HD21 LEU 253 19.393 -40.351 -57.713 10 HD21 LEU 253 HD22 LEU 253 18.588 -38.808 -57.999 11 HD23 LEU 253 HD23 LEU 253 20.159 -38.848 -57.201 No H/Q in entry = 11 In of MODEL 2 1 H ALA 254 H ALA 254 17.803 -39.219 -63.053 2 HA ALA 254 HA ALA 254 15.880 -37.296 -63.213 3 HB2 ALA 254 HB1 ALA 254 15.327 -39.160 -65.274 4 HB1 ALA 254 HB2 ALA 254 17.059 -39.217 -64.954 5 HB3 ALA 254 HB3 ALA 254 16.288 -37.685 -65.361 No H/Q in entry = 5 In of MODEL 2 1 H LYS 255 H LYS 255 15.323 -40.504 -62.077 2 HA LYS 255 HA LYS 255 12.752 -41.102 -62.820 3 HB2 LYS 255 HB2 LYS 255 14.114 -41.432 -60.146 4 HB3 LYS 255 HB3 LYS 255 12.501 -42.075 -60.466 5 HG2 LYS 255 HG2 LYS 255 13.341 -43.421 -62.299 6 HG3 LYS 255 HG3 LYS 255 14.938 -42.696 -62.156 7 HD2 LYS 255 HD2 LYS 255 15.018 -43.585 -59.776 8 HD3 LYS 255 HD3 LYS 255 13.542 -44.480 -60.142 9 HE2 LYS 255 HE2 LYS 255 15.450 -45.947 -60.507 10 HE3 LYS 255 HE3 LYS 255 14.732 -45.551 -62.074 11 HZ3 LYS 255 HZ1 LYS 255 17.106 -45.280 -62.233 12 HZ2 LYS 255 HZ2 LYS 255 17.124 -44.291 -60.843 13 HZ1 LYS 255 HZ3 LYS 255 16.386 -43.734 -62.260 No H/Q in entry = 13 In of MODEL 2 1 H LEU 256 H LEU 256 13.021 -39.885 -59.525 2 HA LEU 256 HA LEU 256 11.741 -37.455 -59.672 3 HB2 LEU 256 HB2 LEU 256 9.541 -37.760 -60.045 4 HB3 LEU 256 HB3 LEU 256 9.953 -39.373 -60.598 5 HG LEU 256 HG LEU 256 9.519 -38.919 -57.658 6 HD11 LEU 256 HD11 LEU 256 7.494 -38.795 -59.823 7 HD13 LEU 256 HD12 LEU 256 7.489 -38.043 -58.228 8 HD12 LEU 256 HD13 LEU 256 7.093 -39.752 -58.399 9 HD21 LEU 256 HD21 LEU 256 9.306 -41.184 -59.630 10 HD23 LEU 256 HD22 LEU 256 8.507 -41.269 -58.061 11 HD22 LEU 256 HD23 LEU 256 10.260 -41.102 -58.149 No H/Q in entry = 11 In of MODEL 2 1 H LYS 257 H LYS 257 10.524 -36.916 -57.576 2 HA LYS 257 HA LYS 257 11.964 -38.228 -55.364 3 HB2 LYS 257 HB2 LYS 257 10.545 -35.555 -55.534 4 HB3 LYS 257 HB3 LYS 257 11.272 -36.202 -54.063 5 HG2 LYS 257 HG2 LYS 257 13.466 -36.310 -55.186 6 HG3 LYS 257 HG3 LYS 257 12.744 -35.665 -56.663 7 HD2 LYS 257 HD2 LYS 257 12.062 -33.624 -55.399 8 HD3 LYS 257 HD3 LYS 257 12.897 -34.254 -53.978 9 HE2 LYS 257 HE2 LYS 257 14.223 -33.751 -56.661 10 HE3 LYS 257 HE3 LYS 257 14.282 -32.632 -55.294 11 HZ3 LYS 257 HZ1 LYS 257 16.002 -33.795 -54.536 12 HZ2 LYS 257 HZ2 LYS 257 15.826 -34.969 -55.752 13 HZ1 LYS 257 HZ3 LYS 257 14.970 -35.119 -54.293 No H/Q in entry = 13 In of MODEL 2 1 H ASP 258 H ASP 258 10.698 -40.019 -55.025 2 HA ASP 258 HA ASP 258 7.836 -39.677 -54.575 3 HB2 ASP 258 HB2 ASP 258 7.865 -42.170 -54.366 4 HB3 ASP 258 HB3 ASP 258 8.470 -41.585 -55.906 No H/Q in entry = 4 In of MODEL 2 1 H LEU 259 H LEU 259 7.906 -41.997 -52.694 2 HA LEU 259 HA LEU 259 7.316 -41.749 -50.372 3 HB2 LEU 259 HB2 LEU 259 9.828 -42.138 -49.390 4 HB3 LEU 259 HB3 LEU 259 8.824 -43.408 -50.078 5 HG LEU 259 HG LEU 259 10.137 -42.098 -52.236 6 HD12 LEU 259 HD11 LEU 259 12.052 -42.946 -50.062 7 HD11 LEU 259 HD12 LEU 259 11.703 -41.267 -50.477 8 HD13 LEU 259 HD13 LEU 259 12.464 -42.329 -51.662 9 HD21 LEU 259 HD21 LEU 259 10.510 -44.771 -50.872 10 HD23 LEU 259 HD22 LEU 259 11.245 -44.343 -52.417 11 HD22 LEU 259 HD23 LEU 259 9.491 -44.423 -52.269 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 260 HA PRO 260 8.605 -37.224 -49.995 2 HB2 PRO 260 HB2 PRO 260 5.881 -37.257 -48.773 3 HB3 PRO 260 HB3 PRO 260 6.600 -36.090 -49.899 4 HG2 PRO 260 HG2 PRO 260 4.793 -37.876 -50.705 5 HG3 PRO 260 HG3 PRO 260 6.137 -37.377 -51.740 6 HD2 PRO 260 HD2 PRO 260 5.745 -39.933 -50.252 7 HD3 PRO 260 HD3 PRO 260 6.579 -39.634 -51.793 No H/Q in entry = 7 In of MODEL 2 1 H ALA 261 H ALA 261 6.711 -39.116 -47.612 2 HA ALA 261 HA ALA 261 8.738 -38.482 -45.600 3 HB1 ALA 261 HB1 ALA 261 7.203 -36.780 -45.097 4 HB3 ALA 261 HB2 ALA 261 6.800 -38.066 -43.958 5 HB2 ALA 261 HB3 ALA 261 5.814 -37.823 -45.401 No H/Q in entry = 5 In of MODEL 2 1 H ILE 262 H ILE 262 9.347 -40.740 -45.798 2 HA ILE 262 HA ILE 262 7.436 -42.589 -44.512 3 HB ILE 262 HB ILE 262 9.024 -44.287 -45.942 4 HG12 ILE 262 HG12 ILE 262 9.132 -43.361 -48.259 5 HG13 ILE 262 HG13 ILE 262 8.668 -41.795 -47.619 6 HG22 ILE 262 HG21 ILE 262 7.189 -44.396 -47.615 7 HG21 ILE 262 HG22 ILE 262 6.505 -42.930 -46.911 8 HG23 ILE 262 HG23 ILE 262 6.605 -44.405 -45.950 9 HD13 ILE 262 HD11 ILE 262 10.724 -41.589 -46.406 10 HD12 ILE 262 HD12 ILE 262 11.145 -42.115 -48.035 11 HD11 ILE 262 HD13 ILE 262 11.143 -43.277 -46.708 No H/Q in entry = 11 In of MODEL 2 1 H THR 263 H THR 263 8.192 -43.426 -42.696 2 HA THR 263 HA THR 263 10.799 -43.091 -41.659 3 HB THR 263 HB THR 263 10.147 -44.850 -40.101 4 HG1 THR 263 HG1 THR 263 8.973 -46.060 -41.733 5 HG23 THR 263 HG21 THR 263 8.540 -43.583 -38.994 6 HG22 THR 263 HG22 THR 263 7.715 -43.138 -40.488 7 HG21 THR 263 HG23 THR 263 9.261 -42.392 -40.074 No H/Q in entry = 7 In of MODEL 2 1 H LEU 264 H LEU 264 12.357 -44.751 -41.315 2 HA LEU 264 HA LEU 264 13.354 -46.238 -43.395 3 HB2 LEU 264 HB2 LEU 264 14.581 -45.785 -41.317 4 HB3 LEU 264 HB3 LEU 264 13.540 -46.922 -40.455 5 HG LEU 264 HG LEU 264 14.941 -47.775 -42.943 6 HD11 LEU 264 HD11 LEU 264 16.353 -47.370 -40.356 7 HD13 LEU 264 HD12 LEU 264 16.911 -47.114 -42.010 8 HD12 LEU 264 HD13 LEU 264 16.785 -48.750 -41.365 9 HD22 LEU 264 HD21 LEU 264 13.823 -49.695 -42.477 10 HD21 LEU 264 HD22 LEU 264 13.350 -49.109 -40.882 11 HD23 LEU 264 HD23 LEU 264 14.898 -49.926 -41.094 No H/Q in entry = 11 In of MODEL 2 1 H ASP 265 H ASP 265 11.023 -47.348 -40.966 2 HA ASP 265 HA ASP 265 10.878 -49.942 -42.254 3 HB2 ASP 265 HB2 ASP 265 9.381 -50.541 -40.367 4 HB3 ASP 265 HB3 ASP 265 10.986 -50.009 -39.886 No H/Q in entry = 4 In of MODEL 2 1 H GLY 266 H GLY 266 9.613 -47.451 -43.511 2 HA3 GLY 266 HA2 GLY 266 8.049 -47.601 -45.208 3 HA2 GLY 266 HA3 GLY 266 7.428 -49.050 -44.482 No H/Q in entry = 3 In of MODEL 2 1 H HIS 267 H HIS 267 7.296 -46.316 -42.403 2 HA HIS 267 HA HIS 267 4.385 -46.286 -42.771 3 HB2 HIS 267 HB2 HIS 267 5.682 -46.457 -40.474 4 HB3 HIS 267 HB3 HIS 267 5.824 -44.718 -40.649 5 HD1 HIS 267 HD1 HIS 267 3.682 -43.325 -40.354 6 HD2 HIS 267 HD2 HIS 267 3.086 -47.410 -39.901 7 HE1 HIS 267 HE1 HIS 267 1.373 -43.561 -39.368 8 HE2 HIS 267 HE2 HIS 267 1.027 -46.048 -39.116 No H/Q in entry = 8 In of MODEL 2 1 H GLN 268 H GLN 268 3.468 -44.730 -43.902 2 HA GLN 268 HA GLN 268 5.045 -42.350 -44.562 3 HB2 GLN 268 HB2 GLN 268 3.607 -42.088 -46.451 4 HB3 GLN 268 HB3 GLN 268 4.243 -43.725 -46.409 5 HG2 GLN 268 HG2 GLN 268 2.073 -44.194 -46.836 6 HG3 GLN 268 HG3 GLN 268 2.011 -44.166 -45.078 7 HE21 GLN 268 HE21 GLN 268 1.708 -41.963 -47.899 8 HE22 GLN 268 HE22 GLN 268 0.452 -41.033 -47.238 No H/Q in entry = 8 In of MODEL 2 1 H VAL 269 H VAL 269 4.363 -40.312 -44.291 2 HA VAL 269 HA VAL 269 1.611 -39.849 -43.363 3 HB VAL 269 HB VAL 269 4.029 -38.521 -42.107 4 HG13 VAL 269 HG11 VAL 269 2.698 -36.805 -41.755 5 HG12 VAL 269 HG12 VAL 269 1.721 -37.853 -40.726 6 HG11 VAL 269 HG13 VAL 269 1.316 -37.664 -42.432 7 HG23 VAL 269 HG21 VAL 269 2.626 -39.450 -40.052 8 HG22 VAL 269 HG22 VAL 269 3.858 -40.410 -40.871 9 HG21 VAL 269 HG23 VAL 269 2.154 -40.640 -41.262 No H/Q in entry = 9 In of MODEL 2 1 H GLU 270 H GLU 270 0.877 -37.584 -43.842 2 HA GLU 270 HA GLU 270 2.242 -36.591 -46.225 3 HB2 GLU 270 HB2 GLU 270 -0.274 -35.750 -44.810 4 HB3 GLU 270 HB3 GLU 270 0.397 -34.902 -46.185 5 HG2 GLU 270 HG2 GLU 270 -1.254 -36.220 -47.143 6 HG3 GLU 270 HG3 GLU 270 0.192 -37.187 -47.399 No H/Q in entry = 6 In of MODEL 2 1 H VAL 271 H VAL 271 2.993 -34.455 -46.304 2 HA VAL 271 HA VAL 271 3.421 -33.038 -43.784 3 HB VAL 271 HB VAL 271 5.773 -32.949 -44.052 4 HG11 VAL 271 HG11 VAL 271 4.756 -35.225 -43.444 5 HG13 VAL 271 HG12 VAL 271 6.470 -35.137 -43.857 6 HG12 VAL 271 HG13 VAL 271 5.304 -35.718 -45.046 7 HG23 VAL 271 HG21 VAL 271 6.862 -33.991 -46.114 8 HG22 VAL 271 HG22 VAL 271 6.028 -32.454 -46.349 9 HG21 VAL 271 HG23 VAL 271 5.256 -33.962 -46.841 No H/Q in entry = 9 In of MODEL 2 1 H CYS 272 H CYS 272 2.617 -31.090 -44.265 2 HA CYS 272 HA CYS 272 2.749 -30.128 -47.061 3 HB2 CYS 272 HB2 CYS 272 0.531 -30.228 -47.119 4 HB3 CYS 272 HB3 CYS 272 0.528 -30.962 -45.526 5 HG CYS 272 HG CYS 272 0.684 -28.280 -44.834 No H/Q in entry = 5 In of MODEL 2 1 H ALA 273 H ALA 273 1.967 -27.859 -47.176 2 HA ALA 273 HA ALA 273 3.297 -26.368 -45.045 3 HB1 ALA 273 HB1 ALA 273 4.035 -26.042 -47.371 4 HB2 ALA 273 HB2 ALA 273 3.484 -24.567 -46.575 5 HB3 ALA 273 HB3 ALA 273 2.442 -25.383 -47.739 No H/Q in entry = 5 In of MODEL 2 1 H ASN 274 H ASN 274 2.303 -24.824 -43.883 2 HA ASN 274 HA ASN 274 -0.603 -24.440 -44.104 3 HB2 ASN 274 HB2 ASN 274 0.400 -24.492 -41.855 4 HB3 ASN 274 HB3 ASN 274 1.556 -23.259 -42.336 5 HD21 ASN 274 HD21 ASN 274 0.206 -22.639 -40.164 6 HD22 ASN 274 HD22 ASN 274 -1.030 -21.514 -40.459 No H/Q in entry = 6 In of MODEL 2 1 H ILE 275 H ILE 275 -1.308 -22.581 -45.238 2 HA ILE 275 HA ILE 275 0.790 -20.637 -45.951 3 HB ILE 275 HB ILE 275 -0.386 -20.247 -48.186 4 HG12 ILE 275 HG12 ILE 275 -1.432 -23.034 -47.714 5 HG13 ILE 275 HG13 ILE 275 -2.393 -21.584 -47.543 6 HG23 ILE 275 HG21 ILE 275 1.225 -21.404 -49.250 7 HG22 ILE 275 HG22 ILE 275 0.816 -22.924 -48.454 8 HG21 ILE 275 HG23 ILE 275 1.800 -21.725 -47.614 9 HD11 ILE 275 HD11 ILE 275 -1.129 -22.571 -50.126 10 HD13 ILE 275 HD12 ILE 275 -2.117 -21.120 -49.962 11 HD12 ILE 275 HD13 ILE 275 -2.833 -22.709 -49.691 No H/Q in entry = 11 In of MODEL 2 1 H GLY 276 H GLY 276 -0.073 -18.618 -46.852 2 HA3 GLY 276 HA2 GLY 276 -2.550 -17.829 -45.488 3 HA2 GLY 276 HA3 GLY 276 -1.132 -16.802 -45.574 No H/Q in entry = 3 In of MODEL 2 1 H THR 277 H THR 277 -0.877 -17.891 -48.457 2 HA THR 277 HA THR 277 -2.727 -16.242 -49.990 3 HB THR 277 HB THR 277 0.108 -15.261 -49.780 4 HG1 THR 277 HG1 THR 277 -1.569 -13.836 -48.227 5 HG22 THR 277 HG21 THR 277 -1.017 -13.116 -50.325 6 HG21 THR 277 HG22 THR 277 -2.573 -13.944 -50.311 7 HG23 THR 277 HG23 THR 277 -1.362 -14.361 -51.524 No H/Q in entry = 7 In of MODEL 2 1 H VAL 278 H VAL 278 -2.491 -16.851 -52.234 2 HA VAL 278 HA VAL 278 -1.167 -18.982 -53.279 3 HB VAL 278 HB VAL 278 -0.752 -17.527 -55.353 4 HG13 VAL 278 HG11 VAL 278 -3.104 -17.507 -55.875 5 HG12 VAL 278 HG12 VAL 278 -3.540 -17.458 -54.168 6 HG11 VAL 278 HG13 VAL 278 -2.808 -18.909 -54.850 7 HG22 VAL 278 HG21 VAL 278 -1.672 -15.310 -55.343 8 HG21 VAL 278 HG22 VAL 278 -0.603 -15.401 -53.946 9 HG23 VAL 278 HG23 VAL 278 -2.349 -15.525 -53.730 No H/Q in entry = 9 In of MODEL 2 1 H ARG 279 H ARG 279 0.391 -15.921 -52.457 2 HA ARG 279 HA ARG 279 2.851 -16.360 -53.675 3 HB2 ARG 279 HB2 ARG 279 1.898 -14.242 -52.550 4 HB3 ARG 279 HB3 ARG 279 2.576 -14.900 -51.061 5 HG2 ARG 279 HG2 ARG 279 4.298 -13.516 -51.924 6 HG3 ARG 279 HG3 ARG 279 4.781 -15.149 -52.379 7 HD2 ARG 279 HD2 ARG 279 4.201 -14.837 -54.629 8 HD3 ARG 279 HD3 ARG 279 3.094 -13.515 -54.260 9 HE ARG 279 HE ARG 279 4.896 -12.047 -54.368 10 HH21 ARG 279 HH11 ARG 279 7.053 -11.504 -54.623 11 HH22 ARG 279 HH12 ARG 279 8.271 -12.744 -54.554 12 HH11 ARG 279 HH21 ARG 279 6.028 -15.289 -54.063 13 HH12 ARG 279 HH22 ARG 279 7.693 -14.863 -54.261 No H/Q in entry = 13 In of MODEL 2 1 H ASP 280 H ASP 280 1.568 -17.929 -50.896 2 HA ASP 280 HA ASP 280 4.152 -18.566 -49.770 3 HB2 ASP 280 HB2 ASP 280 1.354 -19.485 -49.069 4 HB3 ASP 280 HB3 ASP 280 2.801 -19.815 -48.123 No H/Q in entry = 4 In of MODEL 2 1 H VAL 281 H VAL 281 2.091 -19.783 -52.187 2 HA VAL 281 HA VAL 281 2.480 -22.563 -51.896 3 HB VAL 281 HB VAL 281 1.710 -22.779 -54.171 4 HG12 VAL 281 HG11 VAL 281 0.086 -20.421 -53.527 5 HG11 VAL 281 HG12 VAL 281 0.280 -21.532 -52.176 6 HG13 VAL 281 HG13 VAL 281 -0.396 -22.103 -53.701 7 HG21 VAL 281 HG21 VAL 281 2.810 -20.043 -54.389 8 HG23 VAL 281 HG22 VAL 281 1.284 -20.295 -55.231 9 HG22 VAL 281 HG23 VAL 281 2.677 -21.306 -55.611 No H/Q in entry = 9 In of MODEL 2 1 H GLU 282 H GLU 282 4.330 -19.980 -53.244 2 HA GLU 282 HA GLU 282 6.118 -21.466 -54.807 3 HB2 GLU 282 HB2 GLU 282 5.933 -19.007 -54.932 4 HB3 GLU 282 HB3 GLU 282 6.583 -18.874 -53.297 5 HG2 GLU 282 HG2 GLU 282 8.669 -19.975 -54.039 6 HG3 GLU 282 HG3 GLU 282 8.020 -20.107 -55.670 No H/Q in entry = 6 In of MODEL 2 1 H GLY 283 H GLY 283 6.597 -20.133 -51.491 2 HA3 GLY 283 HA2 GLY 283 8.898 -21.531 -50.739 3 HA2 GLY 283 HA3 GLY 283 7.638 -21.015 -49.634 No H/Q in entry = 3 In of MODEL 2 1 H ALA 284 H ALA 284 5.537 -22.685 -50.744 2 HA ALA 284 HA ALA 284 6.064 -25.025 -49.240 3 HB3 ALA 284 HB1 ALA 284 3.882 -25.731 -49.882 4 HB2 ALA 284 HB2 ALA 284 3.899 -24.706 -51.317 5 HB1 ALA 284 HB3 ALA 284 3.806 -23.977 -49.714 No H/Q in entry = 5 In of MODEL 2 1 H GLU 285 H GLU 285 6.011 -24.396 -52.723 2 HA GLU 285 HA GLU 285 6.452 -27.126 -53.473 3 HB2 GLU 285 HB2 GLU 285 6.292 -26.347 -55.626 4 HB3 GLU 285 HB3 GLU 285 5.662 -24.898 -54.845 5 HG2 GLU 285 HG2 GLU 285 7.985 -23.975 -54.776 6 HG3 GLU 285 HG3 GLU 285 8.545 -25.389 -55.662 No H/Q in entry = 6 In of MODEL 2 1 H ARG 286 H ARG 286 8.383 -24.276 -52.857 2 HA ARG 286 HA ARG 286 10.884 -25.162 -53.707 3 HB2 ARG 286 HB2 ARG 286 9.945 -23.161 -51.688 4 HB3 ARG 286 HB3 ARG 286 11.662 -23.540 -51.793 5 HG2 ARG 286 HG2 ARG 286 10.051 -22.834 -54.252 6 HG3 ARG 286 HG3 ARG 286 10.785 -21.585 -53.244 7 HD2 ARG 286 HD2 ARG 286 12.226 -23.864 -54.636 8 HD3 ARG 286 HD3 ARG 286 12.321 -22.155 -55.054 9 HE ARG 286 HE ARG 286 13.659 -23.480 -52.823 10 HH21 ARG 286 HH11 ARG 286 15.101 -22.221 -51.670 11 HH22 ARG 286 HH12 ARG 286 15.125 -20.507 -51.889 12 HH11 ARG 286 HH21 ARG 286 12.583 -20.518 -54.213 13 HH12 ARG 286 HH22 ARG 286 13.702 -19.543 -53.328 No H/Q in entry = 13 In of MODEL 2 1 H ASN 287 H ASN 287 9.225 -25.713 -50.676 2 HA ASN 287 HA ASN 287 11.534 -27.023 -49.502 3 HB2 ASN 287 HB2 ASN 287 8.971 -25.954 -48.329 4 HB3 ASN 287 HB3 ASN 287 10.210 -26.793 -47.403 5 HD21 ASN 287 HD21 ASN 287 9.234 -23.724 -48.425 6 HD22 ASN 287 HD22 ASN 287 10.699 -22.911 -48.162 No H/Q in entry = 6 In of MODEL 2 1 H GLY 288 H GLY 288 9.249 -28.107 -51.376 2 HA3 GLY 288 HA2 GLY 288 8.940 -30.322 -51.874 3 HA2 GLY 288 HA3 GLY 288 9.736 -30.724 -50.366 No H/Q in entry = 3 In of MODEL 2 1 H ALA 289 H ALA 289 7.047 -28.650 -50.172 2 HA ALA 289 HA ALA 289 5.454 -30.180 -48.473 3 HB2 ALA 289 HB1 ALA 289 4.453 -28.101 -50.443 4 HB3 ALA 289 HB2 ALA 289 5.313 -27.676 -48.963 5 HB1 ALA 289 HB3 ALA 289 3.763 -28.513 -48.873 No H/Q in entry = 5 In of MODEL 2 1 H GLU 290 H GLU 290 3.846 -31.702 -48.835 2 HA GLU 290 HA GLU 290 3.566 -32.632 -51.614 3 HB2 GLU 290 HB2 GLU 290 4.046 -34.246 -49.743 4 HB3 GLU 290 HB3 GLU 290 2.419 -33.945 -49.173 5 HG2 GLU 290 HG2 GLU 290 1.474 -34.901 -51.134 6 HG3 GLU 290 HG3 GLU 290 3.035 -34.945 -51.941 No H/Q in entry = 6 In of MODEL 2 1 H GLY 291 H GLY 291 2.052 -30.388 -49.838 2 HA3 GLY 291 HA2 GLY 291 -0.051 -29.829 -51.456 3 HA2 GLY 291 HA3 GLY 291 -0.737 -30.998 -50.311 No H/Q in entry = 3 In of MODEL 2 1 H VAL 292 H VAL 292 -1.951 -28.844 -49.821 2 HA VAL 292 HA VAL 292 -0.454 -27.299 -47.812 3 HB VAL 292 HB VAL 292 -2.737 -26.576 -49.616 4 HG13 VAL 292 HG11 VAL 292 -3.571 -25.926 -47.500 5 HG12 VAL 292 HG12 VAL 292 -2.963 -24.472 -48.293 6 HG11 VAL 292 HG13 VAL 292 -2.015 -25.248 -47.023 7 HG21 VAL 292 HG21 VAL 292 -0.206 -26.149 -50.096 8 HG23 VAL 292 HG22 VAL 292 -0.376 -24.841 -48.924 9 HG22 VAL 292 HG23 VAL 292 -1.362 -24.848 -50.386 No H/Q in entry = 9 In of MODEL 2 1 H GLY 293 H GLY 293 -1.011 -27.566 -45.766 2 HA3 GLY 293 HA2 GLY 293 -3.215 -29.381 -45.209 3 HA2 GLY 293 HA3 GLY 293 -1.887 -28.974 -44.123 No H/Q in entry = 3 In of MODEL 2 1 H LEU 294 H LEU 294 -2.546 -26.040 -45.037 2 HA LEU 294 HA LEU 294 -5.097 -25.545 -43.796 3 HB2 LEU 294 HB2 LEU 294 -3.534 -25.918 -41.832 4 HB3 LEU 294 HB3 LEU 294 -2.628 -24.531 -42.390 5 HG LEU 294 HG LEU 294 -5.537 -24.459 -41.564 6 HD11 LEU 294 HD11 LEU 294 -2.980 -24.193 -40.110 7 HD13 LEU 294 HD12 LEU 294 -4.530 -24.842 -39.573 8 HD12 LEU 294 HD13 LEU 294 -4.289 -23.097 -39.671 9 HD22 LEU 294 HD21 LEU 294 -5.237 -22.542 -42.892 10 HD21 LEU 294 HD22 LEU 294 -3.555 -22.348 -42.400 11 HD23 LEU 294 HD23 LEU 294 -4.852 -21.947 -41.275 No H/Q in entry = 11 In of MODEL 2 1 H TYR 295 H TYR 295 -5.813 -23.943 -44.949 2 HA TYR 295 HA TYR 295 -3.973 -21.881 -45.952 3 HB2 TYR 295 HB2 TYR 295 -5.025 -23.176 -47.771 4 HB3 TYR 295 HB3 TYR 295 -6.602 -22.985 -47.036 5 HD1 TYR 295 HD1 TYR 295 -3.787 -20.962 -48.431 6 HD2 TYR 295 HD2 TYR 295 -8.007 -21.284 -47.842 7 HE1 TYR 295 HE1 TYR 295 -4.108 -18.964 -49.772 8 HE2 TYR 295 HE2 TYR 295 -8.340 -19.240 -49.197 9 HH TYR 295 HH TYR 295 -7.249 -17.554 -50.315 No H/Q in entry = 9 In of MODEL 2 1 H ARG 296 H ARG 296 -4.039 -20.693 -44.187 2 HA ARG 296 HA ARG 296 -6.302 -20.071 -42.560 3 HB2 ARG 296 HB2 ARG 296 -4.191 -19.688 -41.528 4 HB3 ARG 296 HB3 ARG 296 -3.551 -18.866 -42.940 5 HG2 ARG 296 HG2 ARG 296 -3.918 -17.073 -41.539 6 HG3 ARG 296 HG3 ARG 296 -5.445 -17.115 -42.404 7 HD2 ARG 296 HD2 ARG 296 -5.572 -16.830 -39.857 8 HD3 ARG 296 HD3 ARG 296 -6.593 -18.077 -40.558 9 HE ARG 296 HE ARG 296 -5.456 -19.592 -39.270 10 HH21 ARG 296 HH11 ARG 296 -3.774 -20.423 -37.963 11 HH22 ARG 296 HH12 ARG 296 -2.321 -19.500 -37.768 12 HH11 ARG 296 HH21 ARG 296 -3.371 -16.834 -39.766 13 HH12 ARG 296 HH22 ARG 296 -2.093 -17.474 -38.785 No H/Q in entry = 13 In of MODEL 2 1 H THR 297 H THR 297 -8.011 -19.307 -43.855 2 HA THR 297 HA THR 297 -7.479 -17.571 -46.016 3 HB THR 297 HB THR 297 -9.889 -17.342 -46.290 4 HG1 THR 297 HG1 THR 297 -11.163 -18.404 -44.718 5 HG22 THR 297 HG21 THR 297 -10.407 -19.893 -46.125 6 HG21 THR 297 HG22 THR 297 -8.716 -20.040 -45.646 7 HG23 THR 297 HG23 THR 297 -9.131 -19.369 -47.224 No H/Q in entry = 7 In of MODEL 2 1 H GLU 298 H GLU 298 -7.903 -16.818 -42.677 2 HA GLU 298 HA GLU 298 -8.854 -14.189 -42.640 3 HB2 GLU 298 HB2 GLU 298 -8.077 -15.451 -40.607 4 HB3 GLU 298 HB3 GLU 298 -6.429 -15.220 -41.141 5 HG2 GLU 298 HG2 GLU 298 -8.203 -12.887 -40.727 6 HG3 GLU 298 HG3 GLU 298 -7.493 -13.706 -39.348 No H/Q in entry = 6 In of MODEL 2 1 H PHE 299 H PHE 299 -5.703 -15.496 -43.359 2 HA PHE 299 HA PHE 299 -4.288 -13.112 -43.357 3 HB2 PHE 299 HB2 PHE 299 -3.722 -15.793 -43.624 4 HB3 PHE 299 HB3 PHE 299 -3.238 -15.134 -45.175 5 HD1 PHE 299 HD1 PHE 299 -1.769 -16.202 -42.406 6 HD2 PHE 299 HD2 PHE 299 -2.189 -12.485 -44.504 7 HE1 PHE 299 HE1 PHE 299 0.331 -15.421 -41.383 8 HE2 PHE 299 HE2 PHE 299 -0.073 -11.665 -43.480 9 HZ PHE 299 HZ PHE 299 1.189 -13.154 -41.894 No H/Q in entry = 9 In of MODEL 2 1 H LEU 300 H LEU 300 -6.072 -14.765 -45.888 2 HA LEU 300 HA LEU 300 -5.253 -13.039 -47.991 3 HB2 LEU 300 HB2 LEU 300 -6.309 -15.271 -48.185 4 HB3 LEU 300 HB3 LEU 300 -7.792 -14.582 -47.644 5 HG LEU 300 HG LEU 300 -7.436 -15.308 -50.043 6 HD13 LEU 300 HD11 LEU 300 -9.472 -14.372 -49.351 7 HD12 LEU 300 HD12 LEU 300 -9.021 -13.566 -50.853 8 HD11 LEU 300 HD13 LEU 300 -8.802 -12.742 -49.310 9 HD22 LEU 300 HD21 LEU 300 -6.489 -13.898 -51.645 10 HD21 LEU 300 HD22 LEU 300 -5.319 -13.880 -50.326 11 HD23 LEU 300 HD23 LEU 300 -6.423 -12.521 -50.546 No H/Q in entry = 11 In of MODEL 2 1 H PHE 301 H PHE 301 -7.628 -12.885 -45.440 2 HA PHE 301 HA PHE 301 -9.129 -10.692 -46.500 3 HB2 PHE 301 HB2 PHE 301 -10.089 -12.261 -44.904 4 HB3 PHE 301 HB3 PHE 301 -8.874 -11.838 -43.715 5 HD1 PHE 301 HD1 PHE 301 -10.334 -9.209 -45.776 6 HD2 PHE 301 HD2 PHE 301 -10.624 -11.316 -42.107 7 HE1 PHE 301 HE1 PHE 301 -11.810 -7.464 -44.917 8 HE2 PHE 301 HE2 PHE 301 -12.121 -9.581 -41.263 9 HZ PHE 301 HZ PHE 301 -12.712 -7.638 -42.669 No H/Q in entry = 9 In of MODEL 2 1 H MET 302 H MET 302 -6.239 -11.039 -44.584 2 HA MET 302 HA MET 302 -6.227 -8.168 -43.906 3 HB2 MET 302 HB2 MET 302 -5.582 -9.893 -42.195 4 HB3 MET 302 HB3 MET 302 -4.211 -10.314 -43.219 5 HG2 MET 302 HG2 MET 302 -3.455 -8.753 -41.521 6 HG3 MET 302 HG3 MET 302 -3.439 -7.928 -43.074 7 HE3 MET 302 HE1 MET 302 -5.315 -8.286 -39.573 8 HE2 MET 302 HE2 MET 302 -5.185 -6.545 -39.330 9 HE1 MET 302 HE3 MET 302 -3.757 -7.472 -39.776 No H/Q in entry = 9 In of MODEL 2 1 H ASP 303 H ASP 303 -5.626 -9.892 -46.538 2 HA ASP 303 HA ASP 303 -3.153 -8.538 -47.296 3 HB2 ASP 303 HB2 ASP 303 -4.750 -10.807 -48.374 4 HB3 ASP 303 HB3 ASP 303 -3.861 -9.831 -49.534 No H/Q in entry = 4 In of MODEL 2 1 H ARG 304 H ARG 304 -6.202 -7.624 -47.011 2 HA ARG 304 HA ARG 304 -6.287 -5.808 -49.300 3 HB2 ARG 304 HB2 ARG 304 -8.115 -6.694 -50.238 4 HB3 ARG 304 HB3 ARG 304 -7.664 -8.143 -49.349 5 HG2 ARG 304 HG2 ARG 304 -9.655 -6.057 -48.564 6 HG3 ARG 304 HG3 ARG 304 -9.977 -7.729 -48.951 7 HD2 ARG 304 HD2 ARG 304 -9.324 -8.476 -46.939 8 HD3 ARG 304 HD3 ARG 304 -8.018 -7.328 -46.795 9 HE ARG 304 HE ARG 304 -10.774 -6.370 -46.458 10 HH21 ARG 304 HH11 ARG 304 -11.116 -5.173 -44.610 11 HH22 ARG 304 HH12 ARG 304 -9.902 -5.112 -43.386 12 HH11 ARG 304 HH21 ARG 304 -7.732 -7.133 -45.090 13 HH12 ARG 304 HH22 ARG 304 -7.989 -6.210 -43.657 No H/Q in entry = 13 In of MODEL 2 1 H ASP 305 H ASP 305 -7.922 -3.949 -49.018 2 HA ASP 305 HA ASP 305 -8.135 -3.347 -46.114 3 HB2 ASP 305 HB2 ASP 305 -8.436 -0.978 -46.881 4 HB3 ASP 305 HB3 ASP 305 -6.865 -1.680 -47.252 No H/Q in entry = 4 In of MODEL 2 1 H ALA 306 H ALA 306 -10.046 -4.911 -47.857 2 HA ALA 306 HA ALA 306 -12.461 -3.820 -46.706 3 HB1 ALA 306 HB1 ALA 306 -12.933 -4.629 -49.492 4 HB3 ALA 306 HB2 ALA 306 -11.942 -3.176 -49.351 5 HB2 ALA 306 HB3 ALA 306 -13.543 -3.226 -48.612 No H/Q in entry = 5 In of MODEL 2 1 H LEU 307 H LEU 307 -14.161 -5.456 -46.693 2 HA LEU 307 HA LEU 307 -13.175 -8.124 -46.317 3 HB2 LEU 307 HB2 LEU 307 -15.027 -7.948 -45.074 4 HB3 LEU 307 HB3 LEU 307 -15.741 -6.744 -46.109 5 HG LEU 307 HG LEU 307 -15.716 -9.654 -46.825 6 HD13 LEU 307 HD11 LEU 307 -16.700 -9.640 -44.664 7 HD12 LEU 307 HD12 LEU 307 -18.038 -9.717 -45.809 8 HD11 LEU 307 HD13 LEU 307 -17.645 -8.192 -45.017 9 HD23 LEU 307 HD21 LEU 307 -18.098 -8.469 -47.652 10 HD22 LEU 307 HD22 LEU 307 -16.724 -8.917 -48.663 11 HD21 LEU 307 HD23 LEU 307 -16.849 -7.280 -48.017 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 308 HA PRO 308 -13.339 -9.019 -50.607 2 HB2 PRO 308 HB2 PRO 308 -12.511 -11.643 -50.559 3 HB3 PRO 308 HB3 PRO 308 -11.418 -10.255 -50.442 4 HG2 PRO 308 HG2 PRO 308 -12.295 -12.135 -48.380 5 HG3 PRO 308 HG3 PRO 308 -10.838 -11.145 -48.466 6 HD2 PRO 308 HD2 PRO 308 -13.162 -10.559 -46.870 7 HD3 PRO 308 HD3 PRO 308 -11.794 -9.472 -47.194 No H/Q in entry = 7 In of MODEL 2 1 H THR 309 H THR 309 -15.030 -9.453 -51.803 2 HA THR 309 HA THR 309 -17.425 -10.506 -50.771 3 HB THR 309 HB THR 309 -17.825 -9.033 -52.512 4 HG1 THR 309 HG1 THR 309 -19.032 -10.611 -53.315 5 HG23 THR 309 HG21 THR 309 -15.676 -8.548 -53.231 6 HG22 THR 309 HG22 THR 309 -16.426 -9.248 -54.667 7 HG21 THR 309 HG23 THR 309 -15.343 -10.223 -53.673 No H/Q in entry = 7 In of MODEL 2 1 H GLU 310 H GLU 310 -18.659 -12.156 -52.217 2 HA GLU 310 HA GLU 310 -17.453 -14.656 -51.972 3 HB2 GLU 310 HB2 GLU 310 -19.166 -15.455 -53.528 4 HB3 GLU 310 HB3 GLU 310 -19.838 -14.424 -52.272 5 HG2 GLU 310 HG2 GLU 310 -19.691 -12.537 -53.880 6 HG3 GLU 310 HG3 GLU 310 -19.244 -13.702 -55.114 No H/Q in entry = 6 In of MODEL 2 1 H GLU 311 H GLU 311 -17.672 -12.506 -54.775 2 HA GLU 311 HA GLU 311 -16.398 -14.219 -56.573 3 HB2 GLU 311 HB2 GLU 311 -17.795 -12.497 -57.391 4 HB3 GLU 311 HB3 GLU 311 -16.895 -11.254 -56.562 5 HG2 GLU 311 HG2 GLU 311 -16.458 -11.075 -58.899 6 HG3 GLU 311 HG3 GLU 311 -15.000 -11.660 -58.124 No H/Q in entry = 6 In of MODEL 2 1 H GLU 312 H GLU 312 -15.013 -11.638 -54.540 2 HA GLU 312 HA GLU 312 -12.431 -11.856 -55.731 3 HB2 GLU 312 HB2 GLU 312 -13.125 -9.830 -54.536 4 HB3 GLU 312 HB3 GLU 312 -13.148 -10.728 -53.023 5 HG2 GLU 312 HG2 GLU 312 -11.045 -9.553 -53.111 6 HG3 GLU 312 HG3 GLU 312 -10.702 -11.253 -53.374 No H/Q in entry = 6 In of MODEL 2 1 H GLN 313 H GLN 313 -14.046 -13.473 -53.101 2 HA GLN 313 HA GLN 313 -11.717 -14.734 -52.065 3 HB2 GLN 313 HB2 GLN 313 -14.651 -15.335 -51.843 4 HB3 GLN 313 HB3 GLN 313 -13.428 -16.330 -51.075 5 HG2 GLN 313 HG2 GLN 313 -12.624 -14.221 -49.897 6 HG3 GLN 313 HG3 GLN 313 -14.063 -13.424 -50.516 7 HE21 GLN 313 HE21 GLN 313 -15.409 -13.173 -48.829 8 HE22 GLN 313 HE22 GLN 313 -15.855 -14.372 -47.714 No H/Q in entry = 8 In of MODEL 2 1 H PHE 314 H PHE 314 -14.298 -15.695 -54.211 2 HA PHE 314 HA PHE 314 -13.581 -18.294 -54.767 3 HB2 PHE 314 HB2 PHE 314 -15.572 -17.617 -55.684 4 HB3 PHE 314 HB3 PHE 314 -14.917 -16.088 -56.241 5 HD1 PHE 314 HD1 PHE 314 -15.272 -19.689 -56.973 6 HD2 PHE 314 HD2 PHE 314 -13.789 -15.900 -58.368 7 HE1 PHE 314 HE1 PHE 314 -15.040 -20.651 -59.241 8 HE2 PHE 314 HE2 PHE 314 -13.535 -16.840 -60.607 9 HZ PHE 314 HZ PHE 314 -14.177 -19.231 -61.060 No H/Q in entry = 9 In of MODEL 2 1 H ALA 315 H ALA 315 -12.437 -15.270 -56.288 2 HA ALA 315 HA ALA 315 -10.888 -16.504 -58.270 3 HB2 ALA 315 HB1 ALA 315 -10.278 -13.766 -57.143 4 HB3 ALA 315 HB2 ALA 315 -11.676 -14.057 -58.177 5 HB1 ALA 315 HB3 ALA 315 -10.049 -14.347 -58.794 No H/Q in entry = 5 In of MODEL 2 1 H ALA 316 H ALA 316 -10.125 -15.228 -55.126 2 HA ALA 316 HA ALA 316 -7.360 -15.597 -55.114 3 HB3 ALA 316 HB1 ALA 316 -8.335 -14.188 -53.501 4 HB2 ALA 316 HB2 ALA 316 -7.694 -15.578 -52.625 5 HB1 ALA 316 HB3 ALA 316 -9.425 -15.461 -52.952 No H/Q in entry = 5 In of MODEL 2 1 H TYR 317 H TYR 317 -10.040 -17.659 -54.009 2 HA TYR 317 HA TYR 317 -8.405 -19.791 -53.121 3 HB2 TYR 317 HB2 TYR 317 -11.276 -20.016 -54.013 4 HB3 TYR 317 HB3 TYR 317 -10.392 -21.147 -53.005 5 HD1 TYR 317 HD1 TYR 317 -13.040 -19.713 -52.265 6 HD2 TYR 317 HD2 TYR 317 -8.956 -18.773 -51.481 7 HE1 TYR 317 HE1 TYR 317 -13.693 -18.445 -50.196 8 HE2 TYR 317 HE2 TYR 317 -9.581 -17.528 -49.478 9 HH TYR 317 HH TYR 317 -11.815 -16.263 -48.789 No H/Q in entry = 9 In of MODEL 2 1 H LYS 318 H LYS 318 -9.952 -19.125 -56.187 2 HA LYS 318 HA LYS 318 -9.421 -21.564 -57.510 3 HB2 LYS 318 HB2 LYS 318 -10.974 -20.079 -58.534 4 HB3 LYS 318 HB3 LYS 318 -9.837 -18.756 -58.523 5 HG2 LYS 318 HG2 LYS 318 -9.081 -21.125 -60.205 6 HG3 LYS 318 HG3 LYS 318 -10.451 -20.168 -60.765 7 HD2 LYS 318 HD2 LYS 318 -9.045 -18.113 -60.634 8 HD3 LYS 318 HD3 LYS 318 -7.684 -19.083 -60.109 9 HE2 LYS 318 HE2 LYS 318 -7.285 -18.679 -62.423 10 HE3 LYS 318 HE3 LYS 318 -7.892 -20.326 -62.366 11 HZ2 LYS 318 HZ1 LYS 318 -8.814 -18.750 -64.119 12 HZ1 LYS 318 HZ2 LYS 318 -9.701 -18.046 -62.852 13 HZ3 LYS 318 HZ3 LYS 318 -9.923 -19.685 -63.241 No H/Q in entry = 13 In of MODEL 2 1 H ALA 319 H ALA 319 -7.642 -18.477 -57.415 2 HA ALA 319 HA ALA 319 -5.494 -19.338 -58.968 3 HB3 ALA 319 HB1 ALA 319 -4.118 -17.600 -57.961 4 HB1 ALA 319 HB2 ALA 319 -5.265 -17.420 -56.633 5 HB2 ALA 319 HB3 ALA 319 -5.738 -16.972 -58.274 No H/Q in entry = 5 In of MODEL 2 1 H VAL 320 H VAL 320 -5.923 -19.688 -55.433 2 HA VAL 320 HA VAL 320 -3.394 -20.816 -55.004 3 HB VAL 320 HB VAL 320 -5.956 -21.189 -53.406 4 HG13 VAL 320 HG11 VAL 320 -4.456 -22.997 -52.832 5 HG12 VAL 320 HG12 VAL 320 -4.459 -21.819 -51.519 6 HG11 VAL 320 HG13 VAL 320 -3.108 -21.872 -52.651 7 HG22 VAL 320 HG21 VAL 320 -5.095 -19.525 -51.943 8 HG21 VAL 320 HG22 VAL 320 -5.081 -18.890 -53.588 9 HG23 VAL 320 HG23 VAL 320 -3.582 -19.450 -52.843 No H/Q in entry = 9 In of MODEL 2 1 H ALA 321 H ALA 321 -6.572 -22.318 -55.473 2 HA ALA 321 HA ALA 321 -5.891 -24.972 -55.334 3 HB3 ALA 321 HB1 ALA 321 -7.793 -23.832 -57.336 4 HB1 ALA 321 HB2 ALA 321 -8.144 -23.926 -55.609 5 HB2 ALA 321 HB3 ALA 321 -7.860 -25.402 -56.537 No H/Q in entry = 5 In of MODEL 2 1 H GLU 322 H GLU 322 -5.425 -22.706 -57.923 2 HA GLU 322 HA GLU 322 -4.605 -24.825 -59.698 3 HB2 GLU 322 HB2 GLU 322 -6.046 -23.101 -60.583 4 HB3 GLU 322 HB3 GLU 322 -4.854 -21.866 -60.194 5 HG2 GLU 322 HG2 GLU 322 -3.265 -22.882 -61.736 6 HG3 GLU 322 HG3 GLU 322 -4.391 -24.181 -62.077 No H/Q in entry = 6 In of MODEL 2 1 H ALA 323 H ALA 323 -3.098 -22.232 -57.867 2 HA ALA 323 HA ALA 323 -0.506 -22.639 -59.015 3 HB1 ALA 323 HB1 ALA 323 -1.143 -21.615 -56.279 4 HB2 ALA 323 HB2 ALA 323 -1.178 -20.626 -57.741 5 HB3 ALA 323 HB3 ALA 323 0.334 -21.363 -57.209 No H/Q in entry = 5 In of MODEL 2 1 H CYS 324 H CYS 324 -2.470 -24.547 -57.057 2 HA CYS 324 HA CYS 324 -0.123 -25.852 -55.907 3 HB2 CYS 324 HB2 CYS 324 -2.986 -26.517 -55.323 4 HB3 CYS 324 HB3 CYS 324 -1.549 -27.009 -54.423 5 HG CYS 324 HG CYS 324 -1.354 -24.146 -54.407 No H/Q in entry = 5 In of MODEL 2 1 H GLY 325 H GLY 325 -1.833 -26.121 -58.697 2 HA3 GLY 325 HA2 GLY 325 -1.868 -27.747 -60.321 3 HA2 GLY 325 HA3 GLY 325 -0.490 -28.439 -59.475 No H/Q in entry = 3 In of MODEL 2 1 H SER 326 H SER 326 -0.786 -30.480 -59.037 2 HA SER 326 HA SER 326 -3.383 -31.668 -59.085 3 HB2 SER 326 HB2 SER 326 -0.983 -33.124 -58.043 4 HB3 SER 326 HB3 SER 326 -2.276 -33.703 -59.092 5 HG SER 326 HG SER 326 -1.186 -33.026 -60.771 No H/Q in entry = 5 In of MODEL 2 1 H GLN 327 H GLN 327 -1.419 -30.266 -56.674 2 HA GLN 327 HA GLN 327 -2.026 -32.001 -54.547 3 HB2 GLN 327 HB2 GLN 327 -1.032 -29.159 -54.393 4 HB3 GLN 327 HB3 GLN 327 -0.881 -30.399 -53.148 5 HG2 GLN 327 HG2 GLN 327 0.400 -30.397 -55.894 6 HG3 GLN 327 HG3 GLN 327 1.218 -30.321 -54.337 7 HE21 GLN 327 HE21 GLN 327 1.438 -32.406 -56.515 8 HE22 GLN 327 HE22 GLN 327 1.070 -33.871 -55.745 No H/Q in entry = 8 In of MODEL 2 1 H ALA 328 H ALA 328 -3.133 -31.756 -52.671 2 HA ALA 328 HA ALA 328 -5.733 -30.504 -52.876 3 HB3 ALA 328 HB1 ALA 328 -4.564 -32.151 -50.597 4 HB2 ALA 328 HB2 ALA 328 -5.391 -32.848 -51.990 5 HB1 ALA 328 HB3 ALA 328 -6.271 -31.800 -50.877 No H/Q in entry = 5 In of MODEL 2 1 H VAL 329 H VAL 329 -6.406 -28.701 -51.778 2 HA VAL 329 HA VAL 329 -4.547 -27.633 -49.763 3 HB VAL 329 HB VAL 329 -5.257 -25.397 -50.262 4 HG12 VAL 329 HG11 VAL 329 -4.648 -25.226 -52.645 5 HG11 VAL 329 HG12 VAL 329 -4.651 -26.989 -52.707 6 HG13 VAL 329 HG13 VAL 329 -3.515 -26.144 -51.655 7 HG23 VAL 329 HG21 VAL 329 -7.065 -26.635 -52.314 8 HG22 VAL 329 HG22 VAL 329 -6.866 -24.913 -51.989 9 HG21 VAL 329 HG23 VAL 329 -7.588 -25.964 -50.771 No H/Q in entry = 9 In of MODEL 2 1 H ILE 330 H ILE 330 -5.296 -27.396 -47.716 2 HA ILE 330 HA ILE 330 -8.142 -27.971 -47.310 3 HB ILE 330 HB ILE 330 -5.956 -27.984 -45.187 4 HG12 ILE 330 HG12 ILE 330 -7.590 -30.289 -46.268 5 HG13 ILE 330 HG13 ILE 330 -5.974 -29.920 -46.837 6 HG23 ILE 330 HG21 ILE 330 -8.106 -27.353 -44.288 7 HG22 ILE 330 HG22 ILE 330 -7.730 -29.012 -43.821 8 HG21 ILE 330 HG23 ILE 330 -8.877 -28.699 -45.126 9 HD12 ILE 330 HD11 ILE 330 -6.536 -31.669 -44.789 10 HD11 ILE 330 HD12 ILE 330 -6.190 -30.194 -43.890 11 HD13 ILE 330 HD13 ILE 330 -4.985 -30.854 -44.994 No H/Q in entry = 11 In of MODEL 2 1 H VAL 331 H VAL 331 -9.193 -26.203 -47.649 2 HA VAL 331 HA VAL 331 -8.167 -23.591 -46.964 3 HB VAL 331 HB VAL 331 -10.740 -24.573 -48.226 4 HG12 VAL 331 HG11 VAL 331 -10.737 -21.942 -48.687 5 HG11 VAL 331 HG12 VAL 331 -10.017 -21.988 -47.077 6 HG13 VAL 331 HG13 VAL 331 -11.601 -22.713 -47.360 7 HG23 VAL 331 HG21 VAL 331 -8.523 -22.850 -49.375 8 HG22 VAL 331 HG22 VAL 331 -9.932 -23.468 -50.239 9 HG21 VAL 331 HG23 VAL 331 -8.691 -24.582 -49.663 No H/Q in entry = 9 In of MODEL 2 1 H ARG 332 H ARG 332 -8.389 -22.912 -44.865 2 HA ARG 332 HA ARG 332 -10.622 -24.045 -43.321 3 HB2 ARG 332 HB2 ARG 332 -9.597 -23.218 -41.356 4 HB3 ARG 332 HB3 ARG 332 -8.285 -23.860 -42.322 5 HG2 ARG 332 HG2 ARG 332 -7.339 -21.821 -42.632 6 HG3 ARG 332 HG3 ARG 332 -8.885 -20.984 -42.658 7 HD2 ARG 332 HD2 ARG 332 -7.552 -20.385 -40.679 8 HD3 ARG 332 HD3 ARG 332 -9.060 -21.178 -40.233 9 HE ARG 332 HE ARG 332 -7.257 -23.215 -40.385 10 HH21 ARG 332 HH11 ARG 332 -6.034 -24.041 -38.689 11 HH22 ARG 332 HH12 ARG 332 -5.649 -23.034 -37.334 12 HH11 ARG 332 HH21 ARG 332 -7.361 -20.222 -38.588 13 HH12 ARG 332 HH22 ARG 332 -6.412 -20.839 -37.277 No H/Q in entry = 13 In of MODEL 2 1 H THR 333 H THR 333 -12.373 -22.916 -42.825 2 HA THR 333 HA THR 333 -12.814 -20.382 -44.115 3 HB THR 333 HB THR 333 -14.957 -20.412 -43.227 4 HG1 THR 333 HG1 THR 333 -15.110 -20.802 -41.182 5 HG21 THR 333 HG21 THR 333 -14.465 -22.328 -44.768 6 HG23 THR 333 HG22 THR 333 -15.761 -22.681 -43.626 7 HG22 THR 333 HG23 THR 333 -14.145 -23.335 -43.356 No H/Q in entry = 7 In of MODEL 2 1 H MET 334 H MET 334 -13.368 -18.547 -42.902 2 HA MET 334 HA MET 334 -11.030 -17.609 -42.006 3 HB2 MET 334 HB2 MET 334 -12.304 -15.509 -41.698 4 HB3 MET 334 HB3 MET 334 -12.457 -16.306 -43.240 5 HG2 MET 334 HG2 MET 334 -14.505 -16.735 -41.137 6 HG3 MET 334 HG3 MET 334 -14.503 -15.257 -42.118 7 HE3 MET 334 HE1 MET 334 -16.745 -18.918 -43.107 8 HE2 MET 334 HE2 MET 334 -16.832 -17.559 -41.989 9 HE1 MET 334 HE3 MET 334 -15.617 -18.810 -41.745 No H/Q in entry = 9 In of MODEL 2 1 H ASP 335 H ASP 335 -10.057 -16.979 -40.211 2 HA ASP 335 HA ASP 335 -11.507 -17.316 -37.682 3 HB2 ASP 335 HB2 ASP 335 -10.040 -19.242 -38.022 4 HB3 ASP 335 HB3 ASP 335 -8.663 -18.167 -38.214 No H/Q in entry = 4 In of MODEL 2 1 H ILE 336 H ILE 336 -11.873 -15.132 -37.754 2 HA ILE 336 HA ILE 336 -9.578 -13.440 -37.156 3 HB ILE 336 HB ILE 336 -12.317 -12.324 -37.614 4 HG12 ILE 336 HG12 ILE 336 -11.632 -12.376 -40.113 5 HG13 ILE 336 HG13 ILE 336 -10.607 -13.717 -39.635 6 HG21 ILE 336 HG21 ILE 336 -9.587 -11.483 -38.583 7 HG23 ILE 336 HG22 ILE 336 -10.430 -10.812 -37.185 8 HG22 ILE 336 HG23 ILE 336 -11.091 -10.589 -38.806 9 HD12 ILE 336 HD11 ILE 336 -13.196 -13.874 -40.410 10 HD11 ILE 336 HD12 ILE 336 -13.320 -13.912 -38.652 11 HD13 ILE 336 HD13 ILE 336 -12.319 -15.096 -39.495 No H/Q in entry = 11 In of MODEL 2 1 H GLY 337 H GLY 337 -9.493 -12.351 -35.186 2 HA3 GLY 337 HA2 GLY 337 -10.793 -11.335 -33.511 3 HA2 GLY 337 HA3 GLY 337 -11.775 -12.764 -33.436 No H/Q in entry = 3 In of MODEL 2 1 H GLY 338 H GLY 338 -8.407 -13.450 -33.213 2 HA3 GLY 338 HA2 GLY 338 -8.710 -13.305 -30.241 3 HA2 GLY 338 HA3 GLY 338 -7.608 -14.455 -31.052 No H/Q in entry = 3 In of MODEL 2 1 H ASP 339 H ASP 339 -5.591 -13.771 -31.420 2 HA ASP 339 HA ASP 339 -4.974 -10.945 -31.234 3 HB2 ASP 339 HB2 ASP 339 -3.420 -12.719 -30.455 4 HB3 ASP 339 HB3 ASP 339 -3.202 -13.199 -32.133 No H/Q in entry = 4 In of MODEL 2 1 H LYS 340 H LYS 340 -6.525 -12.650 -33.635 2 HA LYS 340 HA LYS 340 -5.285 -10.801 -35.497 3 HB2 LYS 340 HB2 LYS 340 -6.207 -13.469 -36.402 4 HB3 LYS 340 HB3 LYS 340 -5.795 -12.151 -37.465 5 HG2 LYS 340 HG2 LYS 340 -3.539 -12.190 -36.574 6 HG3 LYS 340 HG3 LYS 340 -3.993 -13.579 -35.575 7 HD2 LYS 340 HD2 LYS 340 -4.771 -14.720 -37.613 8 HD3 LYS 340 HD3 LYS 340 -4.143 -13.378 -38.558 9 HE2 LYS 340 HE2 LYS 340 -2.560 -15.228 -36.794 10 HE3 LYS 340 HE3 LYS 340 -2.592 -15.243 -38.538 11 HZ1 LYS 340 HZ1 LYS 340 -1.796 -12.729 -37.758 12 HZ3 LYS 340 HZ2 LYS 340 -0.870 -13.954 -38.488 13 HZ2 LYS 340 HZ3 LYS 340 -0.944 -13.833 -36.794 No H/Q in entry = 13 In of MODEL 2 1 H GLU 341 H GLU 341 -6.478 -9.182 -35.083 2 HA GLU 341 HA GLU 341 -9.255 -9.334 -35.859 3 HB2 GLU 341 HB2 GLU 341 -9.197 -6.890 -35.251 4 HB3 GLU 341 HB3 GLU 341 -8.796 -7.992 -33.930 5 HG2 GLU 341 HG2 GLU 341 -6.609 -6.871 -35.691 6 HG3 GLU 341 HG3 GLU 341 -7.246 -5.905 -34.375 No H/Q in entry = 6 In of MODEL 2 1 H LEU 342 H LEU 342 -10.037 -8.157 -37.669 2 HA LEU 342 HA LEU 342 -7.925 -6.952 -39.227 3 HB2 LEU 342 HB2 LEU 342 -10.206 -8.401 -40.476 4 HB3 LEU 342 HB3 LEU 342 -9.556 -6.982 -41.265 5 HG LEU 342 HG LEU 342 -7.292 -8.202 -40.970 6 HD11 LEU 342 HD11 LEU 342 -9.327 -10.324 -40.477 7 HD13 LEU 342 HD12 LEU 342 -7.825 -9.984 -39.616 8 HD12 LEU 342 HD13 LEU 342 -7.779 -10.714 -41.220 9 HD23 LEU 342 HD21 LEU 342 -8.158 -9.720 -43.015 10 HD22 LEU 342 HD22 LEU 342 -7.706 -8.018 -43.142 11 HD21 LEU 342 HD23 LEU 342 -9.401 -8.472 -42.960 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 343 HA PRO 343 -9.405 -3.325 -37.381 2 HB2 PRO 343 HB2 PRO 343 -7.858 -2.412 -39.810 3 HB3 PRO 343 HB3 PRO 343 -7.792 -1.793 -38.142 4 HG2 PRO 343 HG2 PRO 343 -5.880 -3.424 -38.951 5 HG3 PRO 343 HG3 PRO 343 -6.615 -3.692 -37.353 6 HD2 PRO 343 HD2 PRO 343 -7.087 -5.167 -39.917 7 HD3 PRO 343 HD3 PRO 343 -6.995 -5.775 -38.249 No H/Q in entry = 7 In of MODEL 2 1 H TYR 344 H TYR 344 -9.583 -3.749 -40.976 2 HA TYR 344 HA TYR 344 -11.481 -1.729 -41.305 3 HB2 TYR 344 HB2 TYR 344 -10.216 -2.830 -43.155 4 HB3 TYR 344 HB3 TYR 344 -11.398 -4.105 -43.111 5 HD1 TYR 344 HD1 TYR 344 -10.721 -0.627 -44.152 6 HD2 TYR 344 HD2 TYR 344 -13.656 -3.743 -44.004 7 HE1 TYR 344 HE1 TYR 344 -12.046 0.555 -45.864 8 HE2 TYR 344 HE2 TYR 344 -15.005 -2.555 -45.680 9 HH TYR 344 HH TYR 344 -14.542 0.637 -46.563 No H/Q in entry = 9 In of MODEL 2 1 HA MET 345 HA MET 345 -14.899 -4.674 -40.413 2 HB2 MET 345 HB2 MET 345 -13.268 -6.659 -39.587 3 HG2 MET 345 HG2 MET 345 -15.171 -7.998 -39.075 4 HE2 MET 345 HE1 MET 345 -18.441 -6.863 -41.582 5 HE1 MET 345 HE2 MET 345 -18.138 -8.065 -40.334 6 HE3 MET 345 HE3 MET 345 -18.080 -8.544 -42.026 7 H MET 345 HN MET 345 -12.073 -4.634 -39.711 8 HB3 MET 345 HB1 MET 345 -14.016 -6.214 -38.069 9 HG3 MET 345 HG1 MET 345 -16.174 -6.576 -39.009 No H/Q in entry = 9 In of MODEL 2 1 H ASN 346 H ASN 346 -12.883 -3.179 -38.111 2 HA ASN 346 HA ASN 346 -13.285 -1.941 -36.253 3 HB2 ASN 346 HB2 ASN 346 -15.794 -1.413 -37.817 4 HB3 ASN 346 HB3 ASN 346 -15.386 -0.557 -36.337 5 HD21 ASN 346 HD21 ASN 346 -15.433 0.005 -39.532 6 HD22 ASN 346 HD22 ASN 346 -14.026 0.930 -39.746 No H/Q in entry = 6 In of MODEL 2 1 H PHE 347 H PHE 347 -14.102 -4.770 -36.027 2 HA PHE 347 HA PHE 347 -16.480 -4.992 -34.575 3 HB2 PHE 347 HB2 PHE 347 -14.562 -6.732 -33.417 4 HB3 PHE 347 HB3 PHE 347 -15.842 -7.123 -34.553 5 HD1 PHE 347 HD1 PHE 347 -12.662 -5.178 -34.944 6 HD2 PHE 347 HD2 PHE 347 -14.972 -8.539 -36.202 7 HE1 PHE 347 HE1 PHE 347 -10.993 -5.697 -36.678 8 HE2 PHE 347 HE2 PHE 347 -13.292 -9.043 -37.927 9 HZ PHE 347 HZ PHE 347 -11.298 -7.622 -38.167 No H/Q in entry = 9 In of MODEL 2 1 HA PRO 348 HA PRO 348 -15.458 -2.869 -30.897 2 HB2 PRO 348 HB2 PRO 348 -16.957 -4.157 -29.033 3 HB3 PRO 348 HB3 PRO 348 -17.653 -3.061 -30.244 4 HG2 PRO 348 HG2 PRO 348 -17.600 -6.054 -30.211 5 HG3 PRO 348 HG3 PRO 348 -18.894 -4.960 -30.718 6 HD2 PRO 348 HD2 PRO 348 -17.193 -6.211 -32.510 7 HD3 PRO 348 HD3 PRO 348 -17.986 -4.654 -32.842 No H/Q in entry = 7 In of MODEL 2 1 H LYS 349 H LYS 349 -14.320 -3.072 -28.874 2 HA LYS 349 HA LYS 349 -12.363 -5.129 -28.829 3 HB2 LYS 349 HB2 LYS 349 -13.023 -2.959 -26.850 4 HB3 LYS 349 HB3 LYS 349 -11.678 -4.072 -26.663 5 HG2 LYS 349 HG2 LYS 349 -10.727 -3.268 -28.811 6 HG3 LYS 349 HG3 LYS 349 -12.066 -2.145 -28.980 7 HD2 LYS 349 HD2 LYS 349 -11.321 -0.942 -26.896 8 HD3 LYS 349 HD3 LYS 349 -9.988 -2.069 -26.719 9 HE2 LYS 349 HE2 LYS 349 -10.305 -0.290 -29.162 10 HE3 LYS 349 HE3 LYS 349 -9.432 0.230 -27.732 11 HZ3 LYS 349 HZ1 LYS 349 -7.627 -0.793 -28.534 12 HZ2 LYS 349 HZ2 LYS 349 -8.496 -1.344 -29.887 13 HZ1 LYS 349 HZ3 LYS 349 -8.424 -2.291 -28.477 No H/Q in entry = 13 In of MODEL 2 1 H GLU 350 H GLU 350 -11.928 -6.594 -27.228 2 HA GLU 350 HA GLU 350 -14.164 -7.434 -25.497 3 HB2 GLU 350 HB2 GLU 350 -13.150 -9.794 -25.876 4 HB3 GLU 350 HB3 GLU 350 -14.284 -9.125 -27.040 5 HG2 GLU 350 HG2 GLU 350 -11.298 -9.194 -27.237 6 HG3 GLU 350 HG3 GLU 350 -12.447 -10.119 -28.188 No H/Q in entry = 6 In of MODEL 2 1 H GLU 351 H GLU 351 -13.621 -8.354 -23.572 2 HA GLU 351 HA GLU 351 -11.240 -7.423 -22.421 3 HB2 GLU 351 HB2 GLU 351 -13.389 -9.272 -21.403 4 HB3 GLU 351 HB3 GLU 351 -12.032 -8.735 -20.425 5 HG2 GLU 351 HG2 GLU 351 -12.731 -6.390 -20.727 6 HG3 GLU 351 HG3 GLU 351 -14.070 -6.911 -21.741 No H/Q in entry = 6 In of MODEL 2 1 H ASN 352 H ASN 352 -12.150 -10.566 -23.753 2 HA ASN 352 HA ASN 352 -9.296 -11.260 -23.672 3 HB2 ASN 352 HB2 ASN 352 -11.385 -13.341 -22.959 4 HB3 ASN 352 HB3 ASN 352 -9.656 -13.599 -23.099 5 HD21 ASN 352 HD21 ASN 352 -8.304 -12.956 -21.453 6 HD22 ASN 352 HD22 ASN 352 -8.878 -12.473 -19.930 No H/Q in entry = 6 In of MODEL 2 1 HA PRO 353 HA PRO 353 -11.191 -11.441 -27.718 2 HB2 PRO 353 HB2 PRO 353 -8.626 -11.602 -28.987 3 HB3 PRO 353 HB3 PRO 353 -9.720 -10.210 -28.936 4 HG2 PRO 353 HG2 PRO 353 -7.321 -10.753 -27.400 5 HG3 PRO 353 HG3 PRO 353 -8.163 -9.226 -27.690 6 HD2 PRO 353 HD2 PRO 353 -8.116 -10.565 -25.279 7 HD3 PRO 353 HD3 PRO 353 -9.377 -9.398 -25.736 No H/Q in entry = 7 In of MODEL 2 1 H PHE 354 H PHE 354 -8.417 -13.366 -26.562 2 HA PHE 354 HA PHE 354 -8.817 -15.418 -28.457 3 HB2 PHE 354 HB2 PHE 354 -7.119 -15.073 -26.104 4 HB3 PHE 354 HB3 PHE 354 -7.495 -16.734 -26.517 5 HD1 PHE 354 HD1 PHE 354 -5.154 -14.279 -26.931 6 HD2 PHE 354 HD2 PHE 354 -7.416 -17.101 -29.248 7 HE1 PHE 354 HE1 PHE 354 -3.403 -14.251 -28.705 8 HE2 PHE 354 HE2 PHE 354 -5.676 -17.071 -31.018 9 HZ PHE 354 HZ PHE 354 -3.644 -15.619 -30.720 No H/Q in entry = 9 In of MODEL 2 1 H LEU 355 H LEU 355 -10.502 -14.830 -25.600 2 HA LEU 355 HA LEU 355 -11.837 -17.457 -25.765 3 HB2 LEU 355 HB2 LEU 355 -11.693 -15.426 -23.564 4 HB3 LEU 355 HB3 LEU 355 -12.818 -16.760 -23.571 5 HG LEU 355 HG LEU 355 -10.496 -16.803 -22.300 6 HD11 LEU 355 HD11 LEU 355 -11.936 -19.052 -23.720 7 HD13 LEU 355 HD12 LEU 355 -12.208 -18.462 -22.079 8 HD12 LEU 355 HD13 LEU 355 -10.714 -19.314 -22.474 9 HD23 LEU 355 HD21 LEU 355 -9.870 -17.906 -25.084 10 HD22 LEU 355 HD22 LEU 355 -8.789 -17.971 -23.692 11 HD21 LEU 355 HD23 LEU 355 -9.210 -16.416 -24.407 No H/Q in entry = 11 In of MODEL 2 1 H GLY 356 H GLY 356 -12.197 -15.018 -27.492 2 HA3 GLY 356 HA2 GLY 356 -14.886 -14.188 -26.606 3 HA2 GLY 356 HA3 GLY 356 -13.776 -13.182 -27.519 No H/Q in entry = 3 In of MODEL 2 1 H TRP 357 H TRP 357 -15.075 -12.715 -29.092 2 HA TRP 357 HA TRP 357 -16.769 -14.616 -30.404 3 HB2 TRP 357 HB2 TRP 357 -17.332 -12.439 -31.656 4 HB3 TRP 357 HB3 TRP 357 -17.785 -12.596 -29.978 5 HD1 TRP 357 HD1 TRP 357 -14.927 -10.903 -32.054 6 HE1 TRP 357 HE1 TRP 357 -14.340 -8.671 -30.903 7 HE3 TRP 357 HE3 TRP 357 -17.935 -11.269 -27.945 8 HZ2 TRP 357 HZ2 TRP 357 -15.053 -7.248 -28.583 9 HZ3 TRP 357 HZ3 TRP 357 -17.924 -9.436 -26.306 10 HH2 TRP 357 HH2 TRP 357 -16.501 -7.464 -26.614 No H/Q in entry = 10 In of MODEL 2 1 H ARG 358 H ARG 358 -15.080 -15.835 -31.218 2 HA ARG 358 HA ARG 358 -13.376 -14.640 -33.264 3 HB2 ARG 358 HB2 ARG 358 -12.634 -17.173 -32.016 4 HB3 ARG 358 HB3 ARG 358 -11.686 -15.731 -32.295 5 HG2 ARG 358 HG2 ARG 358 -13.742 -15.878 -30.149 6 HG3 ARG 358 HG3 ARG 358 -12.098 -16.473 -29.919 7 HD2 ARG 358 HD2 ARG 358 -12.665 -13.959 -29.302 8 HD3 ARG 358 HD3 ARG 358 -11.144 -14.331 -30.113 9 HE ARG 358 HE ARG 358 -12.730 -13.907 -32.200 10 HH21 ARG 358 HH11 ARG 358 -13.278 -11.974 -33.195 11 HH22 ARG 358 HH12 ARG 358 -13.321 -10.519 -32.257 12 HH11 ARG 358 HH21 ARG 358 -12.384 -12.082 -29.288 13 HH12 ARG 358 HH22 ARG 358 -12.814 -10.582 -30.040 No H/Q in entry = 13 In of MODEL 2 1 H ALA 359 H ALA 359 -13.104 -15.541 -35.229 2 HA ALA 359 HA ALA 359 -13.311 -16.896 -37.065 3 HB2 ALA 359 HB1 ALA 359 -11.992 -18.367 -35.502 4 HB3 ALA 359 HB2 ALA 359 -12.998 -19.294 -36.614 5 HB1 ALA 359 HB3 ALA 359 -13.507 -19.076 -34.939 No H/Q in entry = 5 In of MODEL 2 1 H ILE 360 H ILE 360 -14.897 -19.457 -35.800 2 HA ILE 360 HA ILE 360 -17.031 -19.210 -37.582 3 HB ILE 360 HB ILE 360 -16.320 -21.018 -35.370 4 HG12 ILE 360 HG12 ILE 360 -16.147 -21.207 -38.313 5 HG13 ILE 360 HG13 ILE 360 -14.851 -20.898 -37.157 6 HG22 ILE 360 HG21 ILE 360 -18.663 -21.502 -37.131 7 HG21 ILE 360 HG22 ILE 360 -18.656 -21.232 -35.388 8 HG23 ILE 360 HG23 ILE 360 -17.906 -22.681 -36.060 9 HD12 ILE 360 HD11 ILE 360 -14.890 -23.255 -37.824 10 HD11 ILE 360 HD12 ILE 360 -16.555 -23.385 -37.261 11 HD13 ILE 360 HD13 ILE 360 -15.258 -23.072 -36.109 No H/Q in entry = 11 In of MODEL 2 1 H ARG 361 H ARG 361 -16.742 -18.129 -34.385 2 HA ARG 361 HA ARG 361 -19.475 -18.166 -33.701 3 HB2 ARG 361 HB2 ARG 361 -17.077 -16.694 -32.658 4 HB3 ARG 361 HB3 ARG 361 -18.690 -16.526 -31.959 5 HG2 ARG 361 HG2 ARG 361 -18.811 -18.859 -31.505 6 HG3 ARG 361 HG3 ARG 361 -17.325 -19.162 -32.392 7 HD2 ARG 361 HD2 ARG 361 -16.072 -17.917 -30.755 8 HD3 ARG 361 HD3 ARG 361 -17.560 -17.542 -29.884 9 HE ARG 361 HE ARG 361 -17.426 -20.328 -30.164 10 HH21 ARG 361 HH11 ARG 361 -16.615 -21.653 -28.439 11 HH22 ARG 361 HH12 ARG 361 -15.626 -20.922 -27.220 12 HH11 ARG 361 HH21 ARG 361 -15.711 -17.700 -28.684 13 HH12 ARG 361 HH22 ARG 361 -15.101 -18.636 -27.362 No H/Q in entry = 13 In of MODEL 2 1 H ILE 362 H ILE 362 -17.440 -16.122 -35.570 2 HA ILE 362 HA ILE 362 -19.280 -13.861 -35.618 3 HB ILE 362 HB ILE 362 -16.707 -13.817 -35.950 4 HG12 ILE 362 HG12 ILE 362 -16.924 -11.884 -37.526 5 HG13 ILE 362 HG13 ILE 362 -18.624 -12.277 -37.683 6 HG22 ILE 362 HG21 ILE 362 -17.500 -14.229 -38.806 7 HG21 ILE 362 HG22 ILE 362 -16.916 -15.544 -37.786 8 HG23 ILE 362 HG23 ILE 362 -15.883 -14.151 -38.105 9 HD11 ILE 362 HD11 ILE 362 -17.959 -12.066 -34.863 10 HD13 ILE 362 HD12 ILE 362 -19.102 -11.100 -35.797 11 HD12 ILE 362 HD13 ILE 362 -17.407 -10.617 -35.709 No H/Q in entry = 11 In of MODEL 2 1 H ALA 363 H ALA 363 -18.072 -16.309 -37.913 2 HA ALA 363 HA ALA 363 -19.646 -15.399 -40.009 3 HB1 ALA 363 HB1 ALA 363 -18.723 -17.054 -41.191 4 HB3 ALA 363 HB2 ALA 363 -19.024 -18.264 -39.942 5 HB2 ALA 363 HB3 ALA 363 -17.663 -17.154 -39.786 No H/Q in entry = 5 In of MODEL 2 1 HA MET 364 HA MET 364 -23.018 -18.187 -38.416 2 HB2 MET 364 HB2 MET 364 -21.942 -19.788 -36.943 3 HG2 MET 364 HG2 MET 364 -23.738 -20.269 -35.392 4 HE3 MET 364 HE1 MET 364 -27.144 -21.471 -37.179 5 HE2 MET 364 HE2 MET 364 -26.891 -20.366 -35.833 6 HE1 MET 364 HE3 MET 364 -25.937 -21.842 -35.932 7 H MET 364 HN MET 364 -20.450 -17.420 -37.293 8 HB3 MET 364 HB1 MET 364 -21.945 -18.625 -35.630 9 HG3 MET 364 HG1 MET 364 -24.372 -18.642 -35.581 No H/Q in entry = 9 In of MODEL 2 1 H ASP 365 H ASP 365 -21.827 -15.464 -36.686 2 HA ASP 365 HA ASP 365 -24.619 -14.850 -36.000 3 HB2 ASP 365 HB2 ASP 365 -23.862 -13.010 -34.668 4 HB3 ASP 365 HB3 ASP 365 -22.974 -14.455 -34.208 No H/Q in entry = 4 In of MODEL 2 1 H ARG 366 H ARG 366 -22.592 -14.557 -38.542 2 HA ARG 366 HA ARG 366 -24.277 -12.425 -39.630 3 HB2 ARG 366 HB2 ARG 366 -21.983 -11.551 -38.704 4 HB3 ARG 366 HB3 ARG 366 -21.319 -12.355 -40.109 5 HG2 ARG 366 HG2 ARG 366 -21.608 -10.296 -40.964 6 HG3 ARG 366 HG3 ARG 366 -23.218 -10.948 -41.300 7 HD2 ARG 366 HD2 ARG 366 -23.474 -8.874 -40.219 8 HD3 ARG 366 HD3 ARG 366 -23.924 -10.156 -39.099 9 HE ARG 366 HE ARG 366 -21.179 -9.363 -38.891 10 HH21 ARG 366 HH11 ARG 366 -20.530 -8.312 -36.991 11 HH22 ARG 366 HH12 ARG 366 -21.728 -7.677 -35.914 12 HH11 ARG 366 HH21 ARG 366 -24.459 -8.712 -37.881 13 HH12 ARG 366 HH22 ARG 366 -23.985 -7.906 -36.423 No H/Q in entry = 13 In of MODEL 2 1 H ARG 367 H ARG 367 -25.107 -14.327 -40.663 2 HA ARG 367 HA ARG 367 -23.678 -16.237 -41.936 3 HB2 ARG 367 HB2 ARG 367 -25.704 -16.603 -43.329 4 HB3 ARG 367 HB3 ARG 367 -25.946 -16.579 -41.588 5 HG2 ARG 367 HG2 ARG 367 -26.238 -13.914 -42.580 6 HG3 ARG 367 HG3 ARG 367 -27.234 -14.994 -43.557 7 HD2 ARG 367 HD2 ARG 367 -28.191 -15.953 -41.492 8 HD3 ARG 367 HD3 ARG 367 -27.225 -14.843 -40.536 9 HE ARG 367 HE ARG 367 -28.796 -13.381 -42.361 10 HH21 ARG 367 HH11 ARG 367 -30.660 -12.295 -41.692 11 HH22 ARG 367 HH12 ARG 367 -31.437 -12.755 -40.213 12 HH11 ARG 367 HH21 ARG 367 -29.174 -15.307 -39.465 13 HH12 ARG 367 HH22 ARG 367 -30.597 -14.460 -38.953 No H/Q in entry = 13 In of MODEL 2 1 H GLU 368 H GLU 368 -24.536 -13.101 -43.437 2 HA GLU 368 HA GLU 368 -23.906 -13.689 -46.050 3 HB2 GLU 368 HB2 GLU 368 -22.824 -11.321 -46.088 4 HB3 GLU 368 HB3 GLU 368 -24.545 -11.501 -45.834 5 HG2 GLU 368 HG2 GLU 368 -24.260 -11.124 -43.432 6 HG3 GLU 368 HG3 GLU 368 -22.521 -11.080 -43.612 No H/Q in entry = 6 In of MODEL 2 1 H ILE 369 H ILE 369 -21.638 -13.464 -43.351 2 HA ILE 369 HA ILE 369 -19.257 -13.341 -44.945 3 HB ILE 369 HB ILE 369 -19.506 -14.103 -42.009 4 HG12 ILE 369 HG12 ILE 369 -20.544 -11.892 -42.716 5 HG13 ILE 369 HG13 ILE 369 -19.366 -11.855 -41.417 6 HG22 ILE 369 HG21 ILE 369 -17.213 -13.083 -41.906 7 HG21 ILE 369 HG22 ILE 369 -17.212 -13.104 -43.671 8 HG23 ILE 369 HG23 ILE 369 -17.325 -14.618 -42.770 9 HD12 ILE 369 HD11 ILE 369 -19.309 -10.129 -43.442 10 HD11 ILE 369 HD12 ILE 369 -18.364 -11.422 -44.185 11 HD13 ILE 369 HD13 ILE 369 -17.831 -10.702 -42.665 No H/Q in entry = 11 In of MODEL 2 1 H LEU 370 H LEU 370 -20.629 -15.858 -42.868 2 HA LEU 370 HA LEU 370 -19.021 -17.979 -43.606 3 HB2 LEU 370 HB2 LEU 370 -20.503 -18.074 -41.737 4 HB3 LEU 370 HB3 LEU 370 -21.897 -17.797 -42.765 5 HG LEU 370 HG LEU 370 -21.544 -19.927 -43.853 6 HD13 LEU 370 HD11 LEU 370 -19.228 -20.209 -43.856 7 HD12 LEU 370 HD12 LEU 370 -19.818 -21.486 -42.792 8 HD11 LEU 370 HD13 LEU 370 -19.105 -20.026 -42.107 9 HD23 LEU 370 HD21 LEU 370 -21.580 -20.125 -40.849 10 HD22 LEU 370 HD22 LEU 370 -22.128 -21.371 -41.969 11 HD21 LEU 370 HD23 LEU 370 -22.966 -19.821 -41.895 No H/Q in entry = 11 In of MODEL 2 1 H ARG 371 H ARG 371 -22.042 -16.738 -45.105 2 HA ARG 371 HA ARG 371 -22.286 -18.872 -46.903 3 HB2 ARG 371 HB2 ARG 371 -23.460 -16.403 -47.851 4 HB3 ARG 371 HB3 ARG 371 -24.208 -17.941 -47.449 5 HG2 ARG 371 HG2 ARG 371 -24.105 -17.356 -45.063 6 HG3 ARG 371 HG3 ARG 371 -23.381 -15.807 -45.482 7 HD2 ARG 371 HD2 ARG 371 -25.675 -15.359 -45.174 8 HD3 ARG 371 HD3 ARG 371 -25.439 -15.395 -46.916 9 HE ARG 371 HE ARG 371 -26.143 -17.971 -46.133 10 HH21 ARG 371 HH11 ARG 371 -28.202 -18.777 -46.280 11 HH22 ARG 371 HH12 ARG 371 -29.563 -17.709 -46.348 12 HH11 ARG 371 HH21 ARG 371 -27.686 -14.780 -46.141 13 HH12 ARG 371 HH22 ARG 371 -29.277 -15.449 -46.272 No H/Q in entry = 13 In of MODEL 2 1 H ASP 372 H ASP 372 -21.110 -15.570 -47.527 2 HA ASP 372 HA ASP 372 -20.488 -15.727 -50.228 3 HB2 ASP 372 HB2 ASP 372 -20.033 -13.614 -49.325 4 HB3 ASP 372 HB3 ASP 372 -19.276 -14.282 -47.891 No H/Q in entry = 4 In of MODEL 2 1 H GLN 373 H GLN 373 -18.550 -16.458 -47.330 2 HA GLN 373 HA GLN 373 -16.339 -17.261 -48.840 3 HB2 GLN 373 HB2 GLN 373 -15.910 -16.660 -46.588 4 HB3 GLN 373 HB3 GLN 373 -16.978 -17.917 -45.978 5 HG2 GLN 373 HG2 GLN 373 -15.182 -19.272 -45.844 6 HG3 GLN 373 HG3 GLN 373 -15.141 -19.285 -47.596 7 HE21 GLN 373 HE21 GLN 373 -12.851 -19.658 -47.320 8 HE22 GLN 373 HE22 GLN 373 -11.803 -18.348 -47.053 No H/Q in entry = 8 In of MODEL 2 1 H LEU 374 H LEU 374 -18.688 -19.426 -47.177 2 HA LEU 374 HA LEU 374 -17.442 -21.744 -48.129 3 HB2 LEU 374 HB2 LEU 374 -20.071 -21.101 -47.006 4 HB3 LEU 374 HB3 LEU 374 -19.963 -22.587 -47.940 5 HG LEU 374 HG LEU 374 -19.534 -22.793 -45.474 6 HD12 LEU 374 HD11 LEU 374 -17.144 -23.742 -47.038 7 HD11 LEU 374 HD12 LEU 374 -18.757 -24.295 -47.487 8 HD13 LEU 374 HD13 LEU 374 -18.135 -24.614 -45.867 9 HD21 LEU 374 HD21 LEU 374 -17.949 -20.593 -45.684 10 HD23 LEU 374 HD22 LEU 374 -16.714 -21.839 -45.866 11 HD22 LEU 374 HD23 LEU 374 -17.720 -21.801 -44.418 No H/Q in entry = 11 In of MODEL 2 1 H ARG 375 H ARG 375 -20.094 -19.901 -49.542 2 HA ARG 375 HA ARG 375 -20.562 -21.228 -51.923 3 HB2 ARG 375 HB2 ARG 375 -21.849 -19.301 -51.431 4 HB3 ARG 375 HB3 ARG 375 -20.425 -18.294 -51.267 5 HG2 ARG 375 HG2 ARG 375 -20.037 -18.371 -53.669 6 HG3 ARG 375 HG3 ARG 375 -21.350 -19.529 -53.879 7 HD2 ARG 375 HD2 ARG 375 -22.900 -17.748 -52.852 8 HD3 ARG 375 HD3 ARG 375 -21.567 -16.615 -53.040 9 HE ARG 375 HE ARG 375 -21.722 -17.492 -55.513 10 HH21 ARG 375 HH11 ARG 375 -23.230 -16.979 -57.175 11 HH22 ARG 375 HH12 ARG 375 -24.830 -16.485 -56.733 12 HH11 ARG 375 HH21 ARG 375 -24.308 -16.753 -53.317 13 HH12 ARG 375 HH22 ARG 375 -25.435 -16.358 -54.571 No H/Q in entry = 13 In of MODEL 2 1 H ALA 376 H ALA 376 -18.071 -18.690 -51.430 2 HA ALA 376 HA ALA 376 -16.805 -18.958 -53.880 3 HB2 ALA 376 HB1 ALA 376 -16.336 -17.084 -52.599 4 HB3 ALA 376 HB2 ALA 376 -14.831 -17.999 -52.707 5 HB1 ALA 376 HB3 ALA 376 -15.797 -18.053 -51.231 No H/Q in entry = 5 In of MODEL 2 1 H ILE 377 H ILE 377 -16.014 -20.713 -50.839 2 HA ILE 377 HA ILE 377 -13.742 -21.986 -51.929 3 HB ILE 377 HB ILE 377 -15.565 -22.900 -49.683 4 HG12 ILE 377 HG12 ILE 377 -12.659 -22.260 -49.363 5 HG13 ILE 377 HG13 ILE 377 -13.807 -20.946 -49.527 6 HG22 ILE 377 HG21 ILE 377 -13.519 -24.557 -49.266 7 HG21 ILE 377 HG22 ILE 377 -13.351 -24.417 -51.014 8 HG23 ILE 377 HG23 ILE 377 -14.861 -25.003 -50.320 9 HD12 ILE 377 HD11 ILE 377 -13.827 -23.083 -47.352 10 HD11 ILE 377 HD12 ILE 377 -15.057 -21.832 -47.534 11 HD13 ILE 377 HD13 ILE 377 -13.396 -21.383 -47.146 No H/Q in entry = 11 In of MODEL 2 1 H LEU 378 H LEU 378 -17.091 -23.196 -51.564 2 HA LEU 378 HA LEU 378 -16.753 -25.591 -52.855 3 HB2 LEU 378 HB2 LEU 378 -19.116 -23.736 -52.747 4 HB3 LEU 378 HB3 LEU 378 -19.188 -25.261 -53.630 5 HG LEU 378 HG LEU 378 -18.096 -25.280 -50.880 6 HD11 LEU 378 HD11 LEU 378 -21.043 -25.031 -51.447 7 HD13 LEU 378 HD12 LEU 378 -20.029 -23.892 -50.557 8 HD12 LEU 378 HD13 LEU 378 -20.346 -25.497 -49.896 9 HD21 LEU 378 HD21 LEU 378 -18.208 -27.295 -52.420 10 HD23 LEU 378 HD22 LEU 378 -19.960 -27.253 -52.216 11 HD22 LEU 378 HD23 LEU 378 -18.915 -27.519 -50.820 No H/Q in entry = 11 In of MODEL 2 1 H ARG 379 H ARG 379 -17.549 -22.468 -54.365 2 HA ARG 379 HA ARG 379 -17.753 -23.538 -56.933 3 HB2 ARG 379 HB2 ARG 379 -17.040 -20.781 -55.973 4 HB3 ARG 379 HB3 ARG 379 -17.207 -21.175 -57.670 5 HG2 ARG 379 HG2 ARG 379 -19.515 -21.783 -57.305 6 HG3 ARG 379 HG3 ARG 379 -19.341 -21.422 -55.584 7 HD2 ARG 379 HD2 ARG 379 -20.294 -19.516 -56.748 8 HD3 ARG 379 HD3 ARG 379 -18.682 -19.128 -56.144 9 HE ARG 379 HE ARG 379 -18.921 -20.098 -58.895 10 HH21 ARG 379 HH11 ARG 379 -18.069 -18.859 -60.496 11 HH22 ARG 379 HH12 ARG 379 -17.526 -17.249 -60.157 12 HH11 ARG 379 HH21 ARG 379 -18.335 -17.414 -56.764 13 HH12 ARG 379 HH22 ARG 379 -17.678 -16.421 -58.022 No H/Q in entry = 13 In of MODEL 2 1 H ALA 380 H ALA 380 -14.969 -22.245 -55.118 2 HA ALA 380 HA ALA 380 -13.132 -22.349 -57.280 3 HB1 ALA 380 HB1 ALA 380 -12.812 -21.143 -55.134 4 HB3 ALA 380 HB2 ALA 380 -11.428 -22.090 -55.682 5 HB2 ALA 380 HB3 ALA 380 -12.460 -22.702 -54.389 No H/Q in entry = 5 In of MODEL 2 1 H SER 381 H SER 381 -14.409 -24.863 -55.223 2 HA SER 381 HA SER 381 -12.310 -26.730 -55.565 3 HB2 SER 381 HB2 SER 381 -15.189 -27.446 -55.052 4 HB3 SER 381 HB3 SER 381 -13.754 -28.338 -54.589 5 HG SER 381 HG SER 381 -13.355 -26.195 -53.362 No H/Q in entry = 5 In of MODEL 2 1 H ALA 382 H ALA 382 -14.453 -25.489 -57.808 2 HA ALA 382 HA ALA 382 -14.736 -27.919 -59.358 3 HB3 ALA 382 HB1 ALA 382 -16.451 -26.303 -59.706 4 HB1 ALA 382 HB2 ALA 382 -15.466 -26.315 -61.170 5 HB2 ALA 382 HB3 ALA 382 -15.275 -25.019 -59.988 No H/Q in entry = 5 In of MODEL 2 1 H PHE 383 H PHE 383 -12.158 -26.101 -58.528 2 HA PHE 383 HA PHE 383 -10.916 -26.393 -61.173 3 HB2 PHE 383 HB2 PHE 383 -10.624 -24.094 -59.264 4 HB3 PHE 383 HB3 PHE 383 -9.646 -24.316 -60.705 5 HD1 PHE 383 HD1 PHE 383 -12.954 -23.586 -59.398 6 HD2 PHE 383 HD2 PHE 383 -10.557 -24.006 -62.875 7 HE1 PHE 383 HE1 PHE 383 -14.773 -22.577 -60.747 8 HE2 PHE 383 HE2 PHE 383 -12.363 -22.984 -64.271 9 HZ PHE 383 HZ PHE 383 -14.487 -22.264 -63.204 No H/Q in entry = 9 In of MODEL 2 1 H GLY 384 H GLY 384 -10.601 -27.675 -58.224 2 HA3 GLY 384 HA2 GLY 384 -8.160 -28.872 -58.677 3 HA2 GLY 384 HA3 GLY 384 -7.803 -27.407 -57.752 No H/Q in entry = 3 In of MODEL 2 1 H LYS 385 H LYS 385 -7.424 -30.049 -56.669 2 HA LYS 385 HA LYS 385 -9.723 -30.762 -55.146 3 HB2 LYS 385 HB2 LYS 385 -6.863 -31.461 -54.519 4 HB3 LYS 385 HB3 LYS 385 -8.292 -32.224 -53.849 5 HG2 LYS 385 HG2 LYS 385 -7.650 -32.218 -56.793 6 HG3 LYS 385 HG3 LYS 385 -7.139 -33.495 -55.687 7 HD2 LYS 385 HD2 LYS 385 -9.507 -33.751 -55.007 8 HD3 LYS 385 HD3 LYS 385 -9.945 -32.608 -56.268 9 HE2 LYS 385 HE2 LYS 385 -8.469 -35.201 -56.781 10 HE3 LYS 385 HE3 LYS 385 -10.212 -35.029 -56.905 11 HZ3 LYS 385 HZ1 LYS 385 -9.349 -34.793 -59.082 12 HZ2 LYS 385 HZ2 LYS 385 -8.132 -33.716 -58.582 13 HZ1 LYS 385 HZ3 LYS 385 -9.757 -33.220 -58.587 No H/Q in entry = 13 In of MODEL 2 1 H LEU 386 H LEU 386 -10.644 -29.544 -53.685 2 HA LEU 386 HA LEU 386 -8.944 -28.143 -51.704 3 HB2 LEU 386 HB2 LEU 386 -11.425 -27.338 -53.123 4 HB3 LEU 386 HB3 LEU 386 -11.301 -26.905 -51.441 5 HG LEU 386 HG LEU 386 -9.287 -25.580 -51.942 6 HD11 LEU 386 HD11 LEU 386 -8.681 -27.152 -53.858 7 HD13 LEU 386 HD12 LEU 386 -8.492 -25.435 -54.218 8 HD12 LEU 386 HD13 LEU 386 -9.896 -26.315 -54.824 9 HD21 LEU 386 HD21 LEU 386 -11.863 -25.182 -53.468 10 HD23 LEU 386 HD22 LEU 386 -10.558 -24.002 -53.600 11 HD22 LEU 386 HD23 LEU 386 -11.294 -24.332 -52.031 No H/Q in entry = 11 In of MODEL 2 1 H ARG 387 H ARG 387 -9.584 -28.317 -49.582 2 HA ARG 387 HA ARG 387 -11.972 -29.919 -48.987 3 HB2 ARG 387 HB2 ARG 387 -9.559 -29.785 -47.190 4 HB3 ARG 387 HB3 ARG 387 -10.976 -30.807 -47.015 5 HG2 ARG 387 HG2 ARG 387 -10.339 -31.818 -49.196 6 HG3 ARG 387 HG3 ARG 387 -8.826 -30.947 -49.060 7 HD2 ARG 387 HD2 ARG 387 -8.822 -32.202 -46.666 8 HD3 ARG 387 HD3 ARG 387 -9.770 -33.358 -47.598 9 HE ARG 387 HE ARG 387 -6.963 -32.843 -47.853 10 HH21 ARG 387 HH11 ARG 387 -5.760 -33.982 -49.387 11 HH22 ARG 387 HH12 ARG 387 -6.565 -34.770 -50.701 12 HH11 ARG 387 HH21 ARG 387 -9.783 -33.763 -49.744 13 HH12 ARG 387 HH22 ARG 387 -8.852 -34.648 -50.906 No H/Q in entry = 13 In of MODEL 2 1 H ILE 388 H ILE 388 -13.099 -29.173 -47.083 2 HA ILE 388 HA ILE 388 -12.647 -26.319 -46.394 3 HB ILE 388 HB ILE 388 -14.885 -26.075 -46.758 4 HG12 ILE 388 HG12 ILE 388 -16.454 -27.142 -45.094 5 HG13 ILE 388 HG13 ILE 388 -15.061 -27.982 -44.433 6 HG23 ILE 388 HG21 ILE 388 -15.139 -27.883 -48.258 7 HG22 ILE 388 HG22 ILE 388 -16.435 -28.090 -47.080 8 HG21 ILE 388 HG23 ILE 388 -14.981 -29.082 -46.974 9 HD11 ILE 388 HD11 ILE 388 -14.207 -25.377 -44.512 10 HD13 ILE 388 HD12 ILE 388 -14.857 -26.204 -43.096 11 HD12 ILE 388 HD13 ILE 388 -15.914 -25.217 -44.103 No H/Q in entry = 11 In of MODEL 2 1 H MET 389 H MET 389 -12.247 -25.830 -44.307 2 HA MET 389 HA MET 389 -12.779 -27.907 -42.290 3 HB2 MET 389 HB2 MET 389 -10.434 -28.173 -42.975 4 HB3 MET 389 HB3 MET 389 -10.154 -26.464 -42.700 5 HG2 MET 389 HG2 MET 389 -10.539 -26.744 -40.377 6 HG3 MET 389 HG3 MET 389 -10.968 -28.432 -40.620 7 HE3 MET 389 HE1 MET 389 -7.685 -25.947 -41.774 8 HE2 MET 389 HE2 MET 389 -6.755 -26.380 -40.342 9 HE1 MET 389 HE3 MET 389 -8.368 -25.697 -40.158 No H/Q in entry = 9 In of MODEL 2 1 H PHE 390 H PHE 390 -13.225 -27.015 -40.334 2 HA PHE 390 HA PHE 390 -13.719 -24.110 -40.272 3 HB2 PHE 390 HB2 PHE 390 -15.331 -26.359 -39.662 4 HB3 PHE 390 HB3 PHE 390 -15.028 -25.490 -38.170 5 HD1 PHE 390 HD1 PHE 390 -14.957 -23.637 -41.270 6 HD2 PHE 390 HD2 PHE 390 -17.423 -25.003 -38.071 7 HE1 PHE 390 HE1 PHE 390 -16.691 -21.974 -41.939 8 HE2 PHE 390 HE2 PHE 390 -19.168 -23.361 -38.687 9 HZ PHE 390 HZ PHE 390 -18.816 -21.819 -40.627 No H/Q in entry = 9 In of MODEL 2 1 HA PRO 391 HA PRO 391 -10.952 -23.886 -36.788 2 HB2 PRO 391 HB2 PRO 391 -11.194 -21.203 -36.437 3 HB3 PRO 391 HB3 PRO 391 -10.276 -21.913 -37.784 4 HG2 PRO 391 HG2 PRO 391 -13.007 -20.695 -37.794 5 HG3 PRO 391 HG3 PRO 391 -11.765 -20.673 -39.051 6 HD2 PRO 391 HD2 PRO 391 -14.006 -22.364 -39.012 7 HD3 PRO 391 HD3 PRO 391 -12.528 -22.585 -39.977 No H/Q in entry = 7 In of MODEL 2 1 H MET 392 H MET 392 -11.042 -23.315 -34.497 2 HA MET 392 HA MET 392 -11.983 -23.110 -32.441 3 HB2 MET 392 HB2 MET 392 -13.550 -21.121 -34.004 4 HB3 MET 392 HB3 MET 392 -13.718 -21.305 -32.267 5 HG2 MET 392 HG2 MET 392 -10.941 -21.135 -32.958 6 HG3 MET 392 HG3 MET 392 -11.810 -19.796 -33.685 7 HE1 MET 392 HE1 MET 392 -12.096 -21.861 -30.281 8 HE3 MET 392 HE2 MET 392 -11.404 -20.759 -29.094 9 HE2 MET 392 HE3 MET 392 -10.390 -21.400 -30.384 No H/Q in entry = 9 In of MODEL 2 1 H ILE 393 H ILE 393 -13.352 -25.176 -34.072 2 HA ILE 393 HA ILE 393 -16.086 -25.278 -33.356 3 HB ILE 393 HB ILE 393 -14.024 -27.286 -34.111 4 HG12 ILE 393 HG12 ILE 393 -14.891 -25.853 -35.855 5 HG13 ILE 393 HG13 ILE 393 -15.367 -27.517 -36.119 6 HG22 ILE 393 HG21 ILE 393 -16.111 -28.888 -34.195 7 HG21 ILE 393 HG22 ILE 393 -16.674 -27.843 -32.893 8 HG23 ILE 393 HG23 ILE 393 -15.143 -28.700 -32.733 9 HD11 ILE 393 HD11 ILE 393 -17.480 -26.559 -34.734 10 HD13 ILE 393 HD12 ILE 393 -17.367 -26.642 -36.493 11 HD12 ILE 393 HD13 ILE 393 -16.974 -25.141 -35.651 No H/Q in entry = 11 In of MODEL 2 1 H ILE 394 H ILE 394 -17.099 -25.930 -31.589 2 HA ILE 394 HA ILE 394 -15.468 -26.864 -29.334 3 HB ILE 394 HB ILE 394 -16.491 -25.351 -27.920 4 HG12 ILE 394 HG12 ILE 394 -18.706 -25.651 -28.741 5 HG13 ILE 394 HG13 ILE 394 -18.320 -23.933 -28.617 6 HG22 ILE 394 HG21 ILE 394 -16.093 -23.666 -30.343 7 HG21 ILE 394 HG22 ILE 394 -14.746 -24.427 -29.496 8 HG23 ILE 394 HG23 ILE 394 -15.785 -23.279 -28.650 9 HD13 ILE 394 HD11 ILE 394 -19.236 -24.044 -30.681 10 HD12 ILE 394 HD12 ILE 394 -18.581 -25.653 -30.997 11 HD11 ILE 394 HD13 ILE 394 -17.524 -24.241 -31.043 No H/Q in entry = 11 In of MODEL 2 1 H SER 395 H SER 395 -18.329 -27.353 -31.108 2 HA SER 395 HA SER 395 -19.223 -29.394 -29.194 3 HB2 SER 395 HB2 SER 395 -20.804 -27.017 -30.168 4 HB3 SER 395 HB3 SER 395 -21.561 -28.445 -29.483 5 HG SER 395 HG SER 395 -21.278 -27.239 -27.724 No H/Q in entry = 5 In of MODEL 2 1 H VAL 396 H VAL 396 -20.847 -30.860 -30.138 2 HA VAL 396 HA VAL 396 -20.493 -31.350 -32.944 3 HB VAL 396 HB VAL 396 -21.814 -33.204 -32.668 4 HG13 VAL 396 HG11 VAL 396 -21.362 -34.220 -30.501 5 HG12 VAL 396 HG12 VAL 396 -20.934 -32.641 -29.841 6 HG11 VAL 396 HG13 VAL 396 -19.944 -33.366 -31.110 7 HG23 VAL 396 HG21 VAL 396 -23.617 -33.391 -30.957 8 HG22 VAL 396 HG22 VAL 396 -23.873 -32.057 -32.083 9 HG21 VAL 396 HG23 VAL 396 -23.273 -31.735 -30.457 No H/Q in entry = 9 In of MODEL 2 1 H GLU 397 H GLU 397 -22.830 -29.660 -30.873 2 HA GLU 397 HA GLU 397 -24.850 -29.124 -32.691 3 HB2 GLU 397 HB2 GLU 397 -24.828 -28.328 -30.361 4 HB3 GLU 397 HB3 GLU 397 -23.684 -27.084 -30.823 5 HG2 GLU 397 HG2 GLU 397 -25.318 -26.099 -32.325 6 HG3 GLU 397 HG3 GLU 397 -26.448 -27.396 -31.993 No H/Q in entry = 6 In of MODEL 2 1 H GLU 398 H GLU 398 -21.899 -27.139 -32.309 2 HA GLU 398 HA GLU 398 -22.399 -25.344 -34.360 3 HB2 GLU 398 HB2 GLU 398 -20.514 -25.300 -32.636 4 HB3 GLU 398 HB3 GLU 398 -19.612 -26.279 -33.776 5 HG2 GLU 398 HG2 GLU 398 -18.995 -24.077 -34.143 6 HG3 GLU 398 HG3 GLU 398 -20.053 -24.530 -35.466 No H/Q in entry = 6 In of MODEL 2 1 H VAL 399 H VAL 399 -20.544 -28.390 -34.677 2 HA VAL 399 HA VAL 399 -19.968 -28.144 -37.399 3 HB VAL 399 HB VAL 399 -20.590 -30.778 -36.110 4 HG12 VAL 399 HG11 VAL 399 -18.690 -29.879 -38.241 5 HG11 VAL 399 HG12 VAL 399 -20.210 -30.741 -38.488 6 HG13 VAL 399 HG13 VAL 399 -18.875 -31.526 -37.644 7 HG23 VAL 399 HG21 VAL 399 -18.231 -30.790 -35.355 8 HG22 VAL 399 HG22 VAL 399 -19.139 -29.486 -34.590 9 HG21 VAL 399 HG23 VAL 399 -18.042 -29.132 -35.924 No H/Q in entry = 9 In of MODEL 2 1 H ARG 400 H ARG 400 -22.859 -29.725 -35.980 2 HA ARG 400 HA ARG 400 -23.886 -30.514 -38.476 3 HB2 ARG 400 HB2 ARG 400 -25.322 -29.942 -35.893 4 HB3 ARG 400 HB3 ARG 400 -26.081 -30.637 -37.317 5 HG2 ARG 400 HG2 ARG 400 -24.539 -32.494 -37.218 6 HG3 ARG 400 HG3 ARG 400 -23.792 -31.791 -35.783 7 HD2 ARG 400 HD2 ARG 400 -26.668 -32.534 -36.054 8 HD3 ARG 400 HD3 ARG 400 -25.429 -33.505 -35.259 9 HE ARG 400 HE ARG 400 -25.365 -30.932 -34.155 10 HH21 ARG 400 HH11 ARG 400 -26.300 -30.451 -32.191 11 HH22 ARG 400 HH12 ARG 400 -27.541 -31.469 -31.540 12 HH11 ARG 400 HH21 ARG 400 -27.579 -33.683 -34.259 13 HH12 ARG 400 HH22 ARG 400 -28.273 -33.314 -32.716 No H/Q in entry = 13 In of MODEL 2 1 H ALA 401 H ALA 401 -24.142 -27.453 -36.686 2 HA ALA 401 HA ALA 401 -26.286 -26.549 -38.298 3 HB3 ALA 401 HB1 ALA 401 -26.007 -25.548 -36.161 4 HB2 ALA 401 HB2 ALA 401 -25.756 -24.304 -37.386 5 HB1 ALA 401 HB3 ALA 401 -24.372 -25.021 -36.561 No H/Q in entry = 5 In of MODEL 2 1 H LEU 402 H LEU 402 -22.855 -26.524 -38.616 2 HA LEU 402 HA LEU 402 -22.794 -24.575 -40.728 3 HB2 LEU 402 HB2 LEU 402 -20.807 -24.345 -39.838 4 HB3 LEU 402 HB3 LEU 402 -20.935 -25.830 -38.968 5 HG LEU 402 HG LEU 402 -18.878 -25.760 -40.083 6 HD12 LEU 402 HD11 LEU 402 -20.269 -27.563 -41.937 7 HD11 LEU 402 HD12 LEU 402 -20.504 -27.813 -40.206 8 HD13 LEU 402 HD13 LEU 402 -18.877 -27.839 -40.890 9 HD22 LEU 402 HD21 LEU 402 -18.521 -25.550 -42.487 10 HD21 LEU 402 HD22 LEU 402 -19.396 -24.128 -41.914 11 HD23 LEU 402 HD23 LEU 402 -20.257 -25.407 -42.771 No H/Q in entry = 11 In of MODEL 2 1 H ARG 403 H ARG 403 -22.608 -28.092 -40.516 2 HA ARG 403 HA ARG 403 -22.027 -28.716 -43.241 3 HB2 ARG 403 HB2 ARG 403 -23.579 -30.125 -41.093 4 HB3 ARG 403 HB3 ARG 403 -23.293 -30.816 -42.681 5 HG2 ARG 403 HG2 ARG 403 -20.996 -29.856 -41.012 6 HG3 ARG 403 HG3 ARG 403 -21.711 -31.446 -40.732 7 HD2 ARG 403 HD2 ARG 403 -21.467 -31.203 -43.488 8 HD3 ARG 403 HD3 ARG 403 -19.963 -30.573 -42.823 9 HE ARG 403 HE ARG 403 -20.243 -32.834 -41.429 10 HH21 ARG 403 HH11 ARG 403 -19.537 -34.892 -42.014 11 HH22 ARG 403 HH12 ARG 403 -19.458 -35.330 -43.688 12 HH11 ARG 403 HH21 ARG 403 -20.608 -32.207 -44.837 13 HH12 ARG 403 HH22 ARG 403 -20.075 -33.784 -45.315 No H/Q in entry = 13 In of MODEL 2 1 H LYS 404 H LYS 404 -24.950 -28.181 -41.409 2 HA LYS 404 HA LYS 404 -26.868 -28.685 -43.409 3 HB2 LYS 404 HB2 LYS 404 -26.709 -27.444 -40.785 4 HB3 LYS 404 HB3 LYS 404 -27.839 -26.626 -41.841 5 HG2 LYS 404 HG2 LYS 404 -28.595 -29.194 -42.221 6 HG3 LYS 404 HG3 LYS 404 -28.030 -29.249 -40.539 7 HD2 LYS 404 HD2 LYS 404 -30.403 -28.527 -40.663 8 HD3 LYS 404 HD3 LYS 404 -29.366 -27.261 -40.003 9 HE2 LYS 404 HE2 LYS 404 -29.191 -26.512 -42.557 10 HE3 LYS 404 HE3 LYS 404 -30.685 -27.407 -42.720 11 HZ3 LYS 404 HZ1 LYS 404 -31.431 -25.286 -42.337 12 HZ2 LYS 404 HZ2 LYS 404 -30.161 -24.892 -41.279 13 HZ1 LYS 404 HZ3 LYS 404 -31.430 -25.892 -40.752 No H/Q in entry = 13 In of MODEL 2 1 H GLU 405 H GLU 405 -25.144 -25.796 -42.351 2 HA GLU 405 HA GLU 405 -26.192 -24.028 -44.251 3 HB2 GLU 405 HB2 GLU 405 -24.424 -23.887 -42.156 4 HB3 GLU 405 HB3 GLU 405 -23.428 -23.535 -43.558 5 HG2 GLU 405 HG2 GLU 405 -24.436 -21.516 -42.500 6 HG3 GLU 405 HG3 GLU 405 -24.837 -21.706 -44.197 No H/Q in entry = 6 In of MODEL 2 1 H ILE 406 H ILE 406 -23.147 -25.980 -44.449 2 HA ILE 406 HA ILE 406 -22.449 -25.259 -47.033 3 HB ILE 406 HB ILE 406 -22.174 -27.881 -45.586 4 HG12 ILE 406 HG12 ILE 406 -20.039 -25.980 -46.520 5 HG13 ILE 406 HG13 ILE 406 -20.874 -25.759 -44.993 6 HG22 ILE 406 HG21 ILE 406 -20.545 -28.510 -47.384 7 HG21 ILE 406 HG22 ILE 406 -21.207 -27.196 -48.357 8 HG23 ILE 406 HG23 ILE 406 -22.237 -28.545 -47.877 9 HD13 ILE 406 HD11 ILE 406 -19.626 -27.297 -44.012 10 HD12 ILE 406 HD12 ILE 406 -18.626 -27.295 -45.466 11 HD11 ILE 406 HD13 ILE 406 -19.938 -28.462 -45.297 No H/Q in entry = 11 In of MODEL 2 1 H GLU 407 H GLU 407 -24.642 -27.970 -46.139 2 HA GLU 407 HA GLU 407 -25.274 -28.753 -48.674 3 HB2 GLU 407 HB2 GLU 407 -26.809 -28.877 -46.114 4 HB3 GLU 407 HB3 GLU 407 -27.431 -29.571 -47.604 5 HG2 GLU 407 HG2 GLU 407 -24.999 -30.351 -46.031 6 HG3 GLU 407 HG3 GLU 407 -26.344 -31.355 -46.549 No H/Q in entry = 6 In of MODEL 2 1 H ILE 408 H ILE 408 -26.679 -26.033 -46.935 2 HA ILE 408 HA ILE 408 -28.748 -25.560 -48.849 3 HB ILE 408 HB ILE 408 -27.468 -23.736 -46.828 4 HG12 ILE 408 HG12 ILE 408 -30.134 -25.173 -46.852 5 HG13 ILE 408 HG13 ILE 408 -28.750 -25.597 -45.869 6 HG22 ILE 408 HG21 ILE 408 -29.565 -22.339 -47.286 7 HG21 ILE 408 HG22 ILE 408 -29.685 -23.251 -48.792 8 HG23 ILE 408 HG23 ILE 408 -28.255 -22.270 -48.466 9 HD11 ILE 408 HD11 ILE 408 -29.038 -23.132 -44.902 10 HD13 ILE 408 HD12 ILE 408 -30.089 -24.425 -44.323 11 HD12 ILE 408 HD13 ILE 408 -30.678 -23.288 -45.536 No H/Q in entry = 11 In of MODEL 2 1 H TYR 409 H TYR 409 -25.559 -24.100 -48.312 2 HA TYR 409 HA TYR 409 -25.593 -22.414 -50.552 3 HB2 TYR 409 HB2 TYR 409 -23.222 -23.670 -49.182 4 HB3 TYR 409 HB3 TYR 409 -23.201 -22.253 -50.222 5 HD1 TYR 409 HD1 TYR 409 -22.471 -22.706 -47.084 6 HD2 TYR 409 HD2 TYR 409 -25.708 -20.959 -49.258 7 HE1 TYR 409 HE1 TYR 409 -23.012 -21.236 -45.140 8 HE2 TYR 409 HE2 TYR 409 -26.254 -19.543 -47.388 9 HH TYR 409 HH TYR 409 -25.617 -18.728 -45.541 No H/Q in entry = 9 In of MODEL 2 1 H LYS 410 H LYS 410 -24.883 -25.859 -50.234 2 HA LYS 410 HA LYS 410 -23.523 -26.118 -52.718 3 HB2 LYS 410 HB2 LYS 410 -24.963 -28.021 -50.906 4 HB3 LYS 410 HB3 LYS 410 -24.573 -28.537 -52.530 5 HG2 LYS 410 HG2 LYS 410 -22.172 -28.089 -52.045 6 HG3 LYS 410 HG3 LYS 410 -22.617 -27.680 -50.388 7 HD2 LYS 410 HD2 LYS 410 -23.570 -29.876 -50.092 8 HD3 LYS 410 HD3 LYS 410 -23.178 -30.285 -51.755 9 HE2 LYS 410 HE2 LYS 410 -20.745 -29.613 -50.965 10 HE3 LYS 410 HE3 LYS 410 -21.408 -30.054 -49.388 11 HZ3 LYS 410 HZ1 LYS 410 -20.847 -32.100 -50.054 12 HZ2 LYS 410 HZ2 LYS 410 -20.879 -31.704 -51.707 13 HZ1 LYS 410 HZ3 LYS 410 -22.327 -32.035 -50.880 No H/Q in entry = 13 In of MODEL 2 1 H GLN 411 H GLN 411 -26.929 -26.430 -51.747 2 HA GLN 411 HA GLN 411 -27.911 -27.268 -54.252 3 HB2 GLN 411 HB2 GLN 411 -29.015 -26.418 -51.740 4 HB3 GLN 411 HB3 GLN 411 -29.886 -25.669 -53.056 5 HG2 GLN 411 HG2 GLN 411 -29.701 -28.530 -52.271 6 HG3 GLN 411 HG3 GLN 411 -31.107 -27.572 -52.696 7 HE21 GLN 411 HE21 GLN 411 -29.656 -30.186 -53.615 8 HE22 GLN 411 HE22 GLN 411 -29.751 -30.085 -55.307 No H/Q in entry = 8 In of MODEL 2 1 H GLU 412 H GLU 412 -27.721 -24.052 -52.769 2 HA GLU 412 HA GLU 412 -28.940 -22.613 -54.784 3 HB2 GLU 412 HB2 GLU 412 -26.624 -21.838 -53.027 4 HB3 GLU 412 HB3 GLU 412 -27.587 -20.720 -53.985 5 HG2 GLU 412 HG2 GLU 412 -29.597 -21.403 -52.741 6 HG3 GLU 412 HG3 GLU 412 -28.628 -22.505 -51.782 No H/Q in entry = 6 In of MODEL 2 1 H LEU 413 H LEU 413 -25.458 -23.431 -54.476 2 HA LEU 413 HA LEU 413 -24.683 -22.382 -56.941 3 HB2 LEU 413 HB2 LEU 413 -23.581 -24.784 -55.524 4 HB3 LEU 413 HB3 LEU 413 -22.844 -24.028 -56.921 5 HG LEU 413 HG LEU 413 -23.325 -22.747 -54.240 6 HD12 LEU 413 HD11 LEU 413 -20.789 -22.805 -54.182 7 HD11 LEU 413 HD12 LEU 413 -20.891 -23.936 -55.533 8 HD13 LEU 413 HD13 LEU 413 -21.631 -24.342 -53.984 9 HD21 LEU 413 HD21 LEU 413 -22.182 -21.610 -56.797 10 HD23 LEU 413 HD22 LEU 413 -21.646 -20.997 -55.232 11 HD22 LEU 413 HD23 LEU 413 -23.348 -20.889 -55.685 No H/Q in entry = 11 In of MODEL 2 1 H ARG 414 H ARG 414 -25.718 -25.760 -56.335 2 HA ARG 414 HA ARG 414 -25.832 -26.760 -58.918 3 HB2 ARG 414 HB2 ARG 414 -27.466 -27.246 -56.485 4 HB3 ARG 414 HB3 ARG 414 -27.991 -27.934 -58.014 5 HG2 ARG 414 HG2 ARG 414 -25.762 -29.008 -58.265 6 HG3 ARG 414 HG3 ARG 414 -25.285 -28.355 -56.713 7 HD2 ARG 414 HD2 ARG 414 -27.559 -30.314 -57.118 8 HD3 ARG 414 HD3 ARG 414 -25.924 -30.760 -56.627 9 HE ARG 414 HE ARG 414 -27.752 -29.049 -55.071 10 HH21 ARG 414 HH11 ARG 414 -27.548 -29.046 -52.886 11 HH22 ARG 414 HH12 ARG 414 -26.332 -30.007 -52.112 12 HH11 ARG 414 HH21 ARG 414 -25.026 -31.307 -55.118 13 HH12 ARG 414 HH22 ARG 414 -24.882 -31.306 -53.392 No H/Q in entry = 13 In of MODEL 2 1 H ASP 415 H ASP 415 -28.174 -24.623 -57.381 2 HA ASP 415 HA ASP 415 -30.053 -24.746 -59.526 3 HB2 ASP 415 HB2 ASP 415 -29.763 -22.942 -57.136 4 HB3 ASP 415 HB3 ASP 415 -31.086 -22.813 -58.284 No H/Q in entry = 4 In of MODEL 2 1 H GLU 416 H GLU 416 -27.281 -22.787 -58.912 2 HA GLU 416 HA GLU 416 -28.193 -20.745 -60.802 3 HB2 GLU 416 HB2 GLU 416 -25.597 -20.774 -59.338 4 HB3 GLU 416 HB3 GLU 416 -26.431 -19.416 -60.050 5 HG2 GLU 416 HG2 GLU 416 -28.152 -19.641 -58.299 6 HG3 GLU 416 HG3 GLU 416 -27.166 -20.903 -57.561 No H/Q in entry = 6 In of MODEL 2 1 H GLY 417 H GLY 417 -26.865 -23.672 -61.128 2 HA3 GLY 417 HA2 GLY 417 -25.749 -24.749 -62.818 3 HA2 GLY 417 HA3 GLY 417 -25.874 -23.256 -63.741 No H/Q in entry = 3 In of MODEL 2 1 H LYS 418 H LYS 418 -24.307 -23.991 -60.713 2 HA LYS 418 HA LYS 418 -21.685 -23.132 -61.727 3 HB2 LYS 418 HB2 LYS 418 -23.172 -22.481 -59.222 4 HB3 LYS 418 HB3 LYS 418 -21.421 -22.427 -59.250 5 HG2 LYS 418 HG2 LYS 418 -21.592 -20.875 -61.161 6 HG3 LYS 418 HG3 LYS 418 -23.331 -20.845 -60.902 7 HD2 LYS 418 HD2 LYS 418 -22.939 -20.048 -58.576 8 HD3 LYS 418 HD3 LYS 418 -21.208 -19.988 -58.921 9 HE2 LYS 418 HE2 LYS 418 -21.399 -18.167 -60.310 10 HE3 LYS 418 HE3 LYS 418 -22.992 -18.633 -60.877 11 HZ2 LYS 418 HZ1 LYS 418 -22.263 -17.258 -58.396 12 HZ1 LYS 418 HZ2 LYS 418 -23.790 -17.963 -58.639 13 HZ3 LYS 418 HZ3 LYS 418 -23.254 -16.713 -59.658 No H/Q in entry = 13 In of MODEL 2 1 H ALA 419 H ALA 419 -20.420 -24.845 -61.835 2 HA ALA 419 HA ALA 419 -20.707 -27.302 -60.524 3 HB2 ALA 419 HB1 ALA 419 -18.627 -27.919 -61.522 4 HB3 ALA 419 HB2 ALA 419 -18.057 -26.250 -61.561 5 HB1 ALA 419 HB3 ALA 419 -19.337 -26.769 -62.658 No H/Q in entry = 5 In of MODEL 2 1 H PHE 420 H PHE 420 -19.700 -28.210 -58.857 2 HA PHE 420 HA PHE 420 -17.529 -27.020 -57.506 3 HB2 PHE 420 HB2 PHE 420 -18.510 -27.075 -55.256 4 HB3 PHE 420 HB3 PHE 420 -19.314 -25.889 -56.265 5 HD1 PHE 420 HD1 PHE 420 -19.642 -29.239 -54.701 6 HD2 PHE 420 HD2 PHE 420 -21.631 -26.080 -56.749 7 HE1 PHE 420 HE1 PHE 420 -21.824 -30.264 -54.128 8 HE2 PHE 420 HE2 PHE 420 -23.788 -27.101 -56.188 9 HZ PHE 420 HZ PHE 420 -23.897 -29.195 -54.909 No H/Q in entry = 9 In of MODEL 2 1 H ASP 421 H ASP 421 -16.522 -28.651 -56.237 2 HA ASP 421 HA ASP 421 -16.689 -31.247 -57.378 3 HB2 ASP 421 HB2 ASP 421 -14.594 -30.228 -56.476 4 HB3 ASP 421 HB3 ASP 421 -15.294 -30.232 -54.866 No H/Q in entry = 4 In of MODEL 2 1 H GLU 422 H GLU 422 -18.452 -32.521 -56.920 2 HA GLU 422 HA GLU 422 -20.050 -32.139 -54.574 3 HB2 GLU 422 HB2 GLU 422 -20.025 -34.412 -56.546 4 HB3 GLU 422 HB3 GLU 422 -21.147 -34.294 -55.210 5 HG2 GLU 422 HG2 GLU 422 -20.976 -32.082 -57.262 6 HG3 GLU 422 HG3 GLU 422 -21.880 -33.536 -57.615 No H/Q in entry = 6 In of MODEL 2 1 H SER 423 H SER 423 -17.135 -33.785 -55.072 2 HA SER 423 HA SER 423 -17.401 -35.858 -53.067 3 HB2 SER 423 HB2 SER 423 -15.399 -34.865 -54.996 4 HB3 SER 423 HB3 SER 423 -14.736 -35.535 -53.511 5 HG SER 423 HG SER 423 -16.766 -36.864 -54.923 No H/Q in entry = 5 In of MODEL 2 1 H ILE 424 H ILE 424 -17.118 -32.590 -52.734 2 HA ILE 424 HA ILE 424 -14.644 -32.271 -51.636 3 HB ILE 424 HB ILE 424 -15.841 -30.377 -52.480 4 HG12 ILE 424 HG12 ILE 424 -15.429 -29.809 -49.572 5 HG13 ILE 424 HG13 ILE 424 -14.084 -30.288 -50.593 6 HG23 ILE 424 HG21 ILE 424 -17.804 -29.483 -51.593 7 HG22 ILE 424 HG22 ILE 424 -17.619 -30.338 -50.061 8 HG21 ILE 424 HG23 ILE 424 -18.072 -31.225 -51.517 9 HD13 ILE 424 HD11 ILE 424 -14.115 -27.987 -50.535 10 HD12 ILE 424 HD12 ILE 424 -15.854 -27.932 -50.832 11 HD11 ILE 424 HD13 ILE 424 -14.753 -28.460 -52.106 No H/Q in entry = 11 In of MODEL 2 1 H GLU 425 H GLU 425 -13.702 -32.546 -49.764 2 HA GLU 425 HA GLU 425 -15.382 -33.748 -47.729 3 HB2 GLU 425 HB2 GLU 425 -12.407 -33.513 -47.657 4 HB3 GLU 425 HB3 GLU 425 -13.434 -34.595 -46.736 5 HG2 GLU 425 HG2 GLU 425 -13.950 -35.869 -48.677 6 HG3 GLU 425 HG3 GLU 425 -13.166 -34.684 -49.726 No H/Q in entry = 6 In of MODEL 2 1 H ILE 426 H ILE 426 -15.480 -33.207 -45.709 2 HA ILE 426 HA ILE 426 -14.806 -30.429 -45.036 3 HB ILE 426 HB ILE 426 -17.200 -32.084 -44.273 4 HG12 ILE 426 HG12 ILE 426 -16.689 -30.123 -46.492 5 HG13 ILE 426 HG13 ILE 426 -17.125 -31.809 -46.638 6 HG23 ILE 426 HG21 ILE 426 -16.984 -30.385 -42.666 7 HG22 ILE 426 HG22 ILE 426 -18.106 -29.711 -43.848 8 HG21 ILE 426 HG23 ILE 426 -16.414 -29.212 -43.853 9 HD13 ILE 426 HD11 ILE 426 -19.222 -31.251 -46.747 10 HD12 ILE 426 HD12 ILE 426 -18.762 -29.552 -46.625 11 HD11 ILE 426 HD13 ILE 426 -19.123 -30.478 -45.167 No H/Q in entry = 11 In of MODEL 2 1 H GLY 427 H GLY 427 -13.806 -30.135 -43.096 2 HA3 GLY 427 HA2 GLY 427 -13.916 -32.276 -41.083 3 HA2 GLY 427 HA3 GLY 427 -12.333 -31.765 -41.650 No H/Q in entry = 3 In of MODEL 2 1 H VAL 428 H VAL 428 -12.208 -31.325 -39.202 2 HA VAL 428 HA VAL 428 -13.008 -28.522 -38.824 3 HB VAL 428 HB VAL 428 -13.783 -30.850 -37.099 4 HG13 VAL 428 HG11 VAL 428 -12.606 -29.614 -35.517 5 HG12 VAL 428 HG12 VAL 428 -14.295 -29.151 -35.297 6 HG11 VAL 428 HG13 VAL 428 -13.188 -28.077 -36.156 7 HG22 VAL 428 HG21 VAL 428 -15.509 -30.049 -38.530 8 HG21 VAL 428 HG22 VAL 428 -15.196 -28.373 -38.078 9 HG23 VAL 428 HG23 VAL 428 -15.891 -29.490 -36.902 No H/Q in entry = 9 In of MODEL 2 1 H MET 429 H MET 429 -11.747 -27.398 -37.383 2 HA MET 429 HA MET 429 -9.049 -28.331 -36.912 3 HB2 MET 429 HB2 MET 429 -10.749 -25.961 -36.133 4 HB3 MET 429 HB3 MET 429 -9.201 -26.233 -35.358 5 HG2 MET 429 HG2 MET 429 -9.695 -25.734 -38.300 6 HG3 MET 429 HG3 MET 429 -8.920 -24.642 -37.153 7 HE2 MET 429 HE1 MET 429 -6.793 -26.924 -35.382 8 HE1 MET 429 HE2 MET 429 -7.070 -25.209 -35.655 9 HE3 MET 429 HE3 MET 429 -5.548 -25.934 -36.160 No H/Q in entry = 9 In of MODEL 2 1 H VAL 430 H VAL 430 -8.527 -29.480 -35.023 2 HA VAL 430 HA VAL 430 -10.545 -29.397 -32.854 3 HB VAL 430 HB VAL 430 -8.273 -31.366 -33.190 4 HG11 VAL 430 HG11 VAL 430 -10.273 -30.906 -31.045 5 HG13 VAL 430 HG12 VAL 430 -8.589 -31.421 -30.939 6 HG12 VAL 430 HG13 VAL 430 -9.834 -32.573 -31.419 7 HG23 VAL 430 HG21 VAL 430 -10.049 -33.036 -33.607 8 HG22 VAL 430 HG22 VAL 430 -9.901 -31.817 -34.874 9 HG21 VAL 430 HG23 VAL 430 -11.213 -31.715 -33.698 No H/Q in entry = 9 In of MODEL 2 1 H GLU 431 H GLU 431 -9.857 -27.403 -31.955 2 HA GLU 431 HA GLU 431 -7.064 -27.342 -31.048 3 HB2 GLU 431 HB2 GLU 431 -6.843 -25.065 -31.827 4 HB3 GLU 431 HB3 GLU 431 -7.142 -26.176 -33.145 5 HG2 GLU 431 HG2 GLU 431 -8.569 -24.559 -33.765 6 HG3 GLU 431 HG3 GLU 431 -9.646 -25.396 -32.647 No H/Q in entry = 6 In of MODEL 2 1 H THR 432 H THR 432 -9.962 -27.477 -30.192 2 HA THR 432 HA THR 432 -9.841 -25.685 -27.855 3 HB THR 432 HB THR 432 -12.383 -26.439 -28.082 4 HG1 THR 432 HG1 THR 432 -12.768 -27.449 -29.823 5 HG22 THR 432 HG21 THR 432 -12.566 -24.526 -29.825 6 HG21 THR 432 HG22 THR 432 -10.904 -24.275 -29.284 7 HG23 THR 432 HG23 THR 432 -12.226 -24.280 -28.115 No H/Q in entry = 7 In of MODEL 2 1 HA PRO 433 HA PRO 433 -9.446 -29.612 -25.639 2 HB2 PRO 433 HB2 PRO 433 -10.786 -28.240 -23.375 3 HB3 PRO 433 HB3 PRO 433 -9.171 -28.968 -23.442 4 HG2 PRO 433 HG2 PRO 433 -9.540 -26.345 -23.334 5 HG3 PRO 433 HG3 PRO 433 -8.217 -27.076 -24.274 6 HD2 PRO 433 HD2 PRO 433 -10.843 -25.988 -25.245 7 HD3 PRO 433 HD3 PRO 433 -9.216 -25.843 -25.954 No H/Q in entry = 7 In of MODEL 2 1 H ALA 434 H ALA 434 -12.434 -27.722 -25.784 2 HA ALA 434 HA ALA 434 -14.275 -29.736 -25.048 3 HB1 ALA 434 HB1 ALA 434 -15.867 -28.515 -26.338 4 HB2 ALA 434 HB2 ALA 434 -14.579 -27.633 -27.161 5 HB3 ALA 434 HB3 ALA 434 -14.861 -27.385 -25.436 No H/Q in entry = 5 In of MODEL 2 1 H ALA 435 H ALA 435 -13.189 -28.736 -28.285 2 HA ALA 435 HA ALA 435 -14.388 -30.824 -29.675 3 HB2 ALA 435 HB1 ALA 435 -11.843 -29.321 -30.304 4 HB3 ALA 435 HB2 ALA 435 -13.453 -29.058 -30.975 5 HB1 ALA 435 HB3 ALA 435 -12.547 -30.510 -31.401 No H/Q in entry = 5 In of MODEL 2 1 H ALA 436 H ALA 436 -11.205 -30.715 -28.135 2 HA ALA 436 HA ALA 436 -10.347 -33.200 -29.094 3 HB3 ALA 436 HB1 ALA 436 -8.679 -33.187 -27.387 4 HB2 ALA 436 HB2 ALA 436 -9.598 -32.024 -26.429 5 HB1 ALA 436 HB3 ALA 436 -8.883 -31.535 -27.967 No H/Q in entry = 5 In of MODEL 2 1 H THR 437 H THR 437 -12.176 -32.321 -26.213 2 HA THR 437 HA THR 437 -12.266 -34.840 -24.998 3 HB THR 437 HB THR 437 -14.286 -32.654 -24.787 4 HG1 THR 437 HG1 THR 437 -11.640 -32.920 -24.105 5 HG22 THR 437 HG21 THR 437 -13.365 -34.707 -22.747 6 HG21 THR 437 HG22 THR 437 -14.825 -34.901 -23.720 7 HG23 THR 437 HG23 THR 437 -14.694 -33.560 -22.580 No H/Q in entry = 7 In of MODEL 2 1 H ILE 438 H ILE 438 -14.378 -33.464 -27.409 2 HA ILE 438 HA ILE 438 -16.092 -35.837 -27.272 3 HB ILE 438 HB ILE 438 -16.689 -33.069 -28.352 4 HG12 ILE 438 HG12 ILE 438 -16.818 -32.919 -26.020 5 HG13 ILE 438 HG13 ILE 438 -18.477 -33.183 -26.519 6 HG23 ILE 438 HG21 ILE 438 -18.045 -34.253 -29.753 7 HG22 ILE 438 HG22 ILE 438 -19.109 -34.242 -28.346 8 HG21 ILE 438 HG23 ILE 438 -18.112 -35.657 -28.686 9 HD11 ILE 438 HD11 ILE 438 -18.034 -35.661 -26.024 10 HD13 ILE 438 HD12 ILE 438 -18.181 -34.565 -24.650 11 HD12 ILE 438 HD13 ILE 438 -16.589 -35.100 -25.185 No H/Q in entry = 11 In of MODEL 2 1 H ALA 439 H ALA 439 -13.433 -35.308 -28.577 2 HA ALA 439 HA ALA 439 -13.573 -35.172 -31.307 3 HB3 ALA 439 HB1 ALA 439 -11.571 -36.461 -31.400 4 HB1 ALA 439 HB2 ALA 439 -11.874 -37.134 -29.797 5 HB2 ALA 439 HB3 ALA 439 -11.504 -35.419 -29.979 No H/Q in entry = 5 In of MODEL 2 1 H ARG 440 H ARG 440 -14.492 -38.042 -29.307 2 HA ARG 440 HA ARG 440 -14.636 -39.753 -31.557 3 HB2 ARG 440 HB2 ARG 440 -16.260 -39.962 -29.028 4 HB3 ARG 440 HB3 ARG 440 -16.230 -41.171 -30.296 5 HG2 ARG 440 HG2 ARG 440 -13.607 -40.373 -29.180 6 HG3 ARG 440 HG3 ARG 440 -14.672 -41.234 -28.091 7 HD2 ARG 440 HD2 ARG 440 -14.818 -42.997 -30.096 8 HD3 ARG 440 HD3 ARG 440 -13.327 -42.234 -30.622 9 HE ARG 440 HE ARG 440 -12.295 -43.555 -29.057 10 HH21 ARG 440 HH11 ARG 440 -11.982 -44.724 -27.078 11 HH22 ARG 440 HH12 ARG 440 -13.247 -44.741 -25.895 12 HH11 ARG 440 HH21 ARG 440 -15.470 -42.777 -27.719 13 HH12 ARG 440 HH22 ARG 440 -15.192 -43.656 -26.253 No H/Q in entry = 13 In of MODEL 2 1 H HIS 441 H HIS 441 -17.189 -37.981 -29.858 2 HA HIS 441 HA HIS 441 -19.265 -38.444 -31.632 3 HB2 HIS 441 HB2 HIS 441 -18.649 -36.088 -29.926 4 HB3 HIS 441 HB3 HIS 441 -20.063 -36.130 -30.964 5 HD1 HIS 441 HD1 HIS 441 -21.212 -38.805 -30.601 6 HD2 HIS 441 HD2 HIS 441 -19.462 -36.749 -27.439 7 HE1 HIS 441 HE1 HIS 441 -22.199 -39.822 -28.510 8 HE2 HIS 441 HE2 HIS 441 -21.137 -38.542 -26.607 No H/Q in entry = 8 In of MODEL 2 1 H LEU 442 H LEU 442 -16.765 -35.933 -31.911 2 HA LEU 442 HA LEU 442 -18.080 -34.666 -34.100 3 HB2 LEU 442 HB2 LEU 442 -15.231 -34.498 -33.226 4 HB3 LEU 442 HB3 LEU 442 -15.913 -33.545 -34.502 5 HG LEU 442 HG LEU 442 -16.546 -33.371 -31.565 6 HD12 LEU 442 HD11 LEU 442 -15.511 -31.044 -31.841 7 HD11 LEU 442 HD12 LEU 442 -14.891 -31.611 -33.392 8 HD13 LEU 442 HD13 LEU 442 -14.396 -32.411 -31.900 9 HD22 LEU 442 HD21 LEU 442 -18.275 -32.052 -31.941 10 HD21 LEU 442 HD22 LEU 442 -18.233 -32.642 -33.603 11 HD23 LEU 442 HD23 LEU 442 -17.414 -31.138 -33.178 No H/Q in entry = 11 In of MODEL 2 1 H ALA 443 H ALA 443 -15.638 -37.147 -33.868 2 HA ALA 443 HA ALA 443 -14.744 -37.198 -36.504 3 HB2 ALA 443 HB1 ALA 443 -14.942 -39.589 -34.703 4 HB3 ALA 443 HB2 ALA 443 -13.670 -38.369 -34.630 5 HB1 ALA 443 HB3 ALA 443 -13.856 -39.365 -36.074 No H/Q in entry = 5 In of MODEL 2 1 H LYS 444 H LYS 444 -17.744 -38.537 -35.293 2 HA LYS 444 HA LYS 444 -18.396 -40.143 -37.607 3 HB2 LYS 444 HB2 LYS 444 -20.309 -38.800 -35.685 4 HB3 LYS 444 HB3 LYS 444 -20.709 -40.052 -36.838 5 HG2 LYS 444 HG2 LYS 444 -19.608 -41.701 -35.578 6 HG3 LYS 444 HG3 LYS 444 -18.758 -40.502 -34.602 7 HD2 LYS 444 HD2 LYS 444 -21.119 -39.704 -33.896 8 HD3 LYS 444 HD3 LYS 444 -21.681 -41.242 -34.534 9 HE2 LYS 444 HE2 LYS 444 -20.226 -42.448 -32.973 10 HE3 LYS 444 HE3 LYS 444 -19.585 -40.922 -32.367 11 HZ1 LYS 444 HZ1 LYS 444 -22.441 -40.973 -32.306 12 HZ3 LYS 444 HZ2 LYS 444 -21.342 -40.656 -31.049 13 HZ2 LYS 444 HZ3 LYS 444 -21.784 -42.256 -31.413 No H/Q in entry = 13 In of MODEL 2 1 H GLU 445 H GLU 445 -18.440 -36.807 -36.796 2 HA GLU 445 HA GLU 445 -20.503 -36.313 -38.780 3 HB2 GLU 445 HB2 GLU 445 -19.341 -34.433 -36.723 4 HB3 GLU 445 HB3 GLU 445 -20.768 -34.146 -37.706 5 HG2 GLU 445 HG2 GLU 445 -20.858 -36.652 -36.154 6 HG3 GLU 445 HG3 GLU 445 -20.778 -35.203 -35.165 No H/Q in entry = 6 In of MODEL 2 1 H VAL 446 H VAL 446 -17.141 -36.160 -38.730 2 HA VAL 446 HA VAL 446 -17.179 -34.295 -41.015 3 HB VAL 446 HB VAL 446 -15.031 -33.432 -40.288 4 HG12 VAL 446 HG11 VAL 446 -15.879 -32.338 -38.117 5 HG11 VAL 446 HG12 VAL 446 -17.356 -33.262 -38.394 6 HG13 VAL 446 HG13 VAL 446 -16.814 -32.085 -39.591 7 HG21 VAL 446 HG21 VAL 446 -15.490 -35.249 -37.932 8 HG23 VAL 446 HG22 VAL 446 -14.247 -33.999 -38.000 9 HG22 VAL 446 HG23 VAL 446 -14.197 -35.356 -39.126 No H/Q in entry = 9 In of MODEL 2 1 H ASP 447 H ASP 447 -15.139 -34.514 -42.328 2 HA ASP 447 HA ASP 447 -14.555 -37.349 -42.725 3 HB2 ASP 447 HB2 ASP 447 -13.630 -34.994 -44.355 4 HB3 ASP 447 HB3 ASP 447 -13.440 -36.691 -44.772 No H/Q in entry = 4 In of MODEL 2 1 H PHE 448 H PHE 448 -13.080 -34.666 -41.232 2 HA PHE 448 HA PHE 448 -10.827 -36.275 -40.547 3 HB2 PHE 448 HB2 PHE 448 -9.097 -35.170 -41.766 4 HB3 PHE 448 HB3 PHE 448 -10.291 -35.771 -42.898 5 HD1 PHE 448 HD1 PHE 448 -8.887 -32.769 -41.274 6 HD2 PHE 448 HD2 PHE 448 -11.569 -34.292 -44.236 7 HE1 PHE 448 HE1 PHE 448 -9.020 -30.507 -42.238 8 HE2 PHE 448 HE2 PHE 448 -11.732 -32.021 -45.226 9 HZ PHE 448 HZ PHE 448 -10.447 -30.111 -44.239 No H/Q in entry = 9 In of MODEL 2 1 H PHE 449 H PHE 449 -9.015 -34.870 -39.596 2 HA PHE 449 HA PHE 449 -10.105 -32.538 -38.092 3 HB2 PHE 449 HB2 PHE 449 -8.531 -34.933 -37.062 4 HB3 PHE 449 HB3 PHE 449 -8.682 -33.432 -36.175 5 HD1 PHE 449 HD1 PHE 449 -9.614 -36.509 -35.638 6 HD2 PHE 449 HD2 PHE 449 -11.568 -32.838 -36.691 7 HE1 PHE 449 HE1 PHE 449 -11.710 -37.362 -34.675 8 HE2 PHE 449 HE2 PHE 449 -13.701 -33.692 -35.732 9 HZ PHE 449 HZ PHE 449 -13.768 -35.971 -34.713 No H/Q in entry = 9 In of MODEL 2 1 H SER 450 H SER 450 -8.524 -31.067 -37.720 2 HA SER 450 HA SER 450 -5.760 -31.866 -38.119 3 HB2 SER 450 HB2 SER 450 -5.183 -29.706 -38.998 4 HB3 SER 450 HB3 SER 450 -6.436 -30.411 -40.026 5 HG SER 450 HG SER 450 -7.473 -29.088 -37.902 No H/Q in entry = 5 In of MODEL 2 1 H ILE 451 H ILE 451 -4.763 -31.579 -36.179 2 HA ILE 451 HA ILE 451 -6.228 -30.218 -34.080 3 HB ILE 451 HB ILE 451 -3.743 -31.859 -34.176 4 HG12 ILE 451 HG12 ILE 451 -6.288 -32.464 -33.638 5 HG13 ILE 451 HG13 ILE 451 -4.924 -33.327 -32.948 6 HG23 ILE 451 HG21 ILE 451 -2.855 -30.102 -32.900 7 HG22 ILE 451 HG22 ILE 451 -3.446 -31.240 -31.689 8 HG21 ILE 451 HG23 ILE 451 -4.386 -29.800 -32.079 9 HD11 ILE 451 HD11 ILE 451 -6.075 -30.959 -31.579 10 HD13 ILE 451 HD12 ILE 451 -5.158 -32.314 -30.912 11 HD12 ILE 451 HD13 ILE 451 -6.828 -32.545 -31.434 No H/Q in entry = 11 In of MODEL 2 1 H GLY 452 H GLY 452 -6.052 -28.127 -33.604 2 HA3 GLY 452 HA2 GLY 452 -3.679 -26.665 -34.545 3 HA2 GLY 452 HA3 GLY 452 -5.165 -25.937 -33.919 No H/Q in entry = 3 In of MODEL 2 1 H THR 453 H THR 453 -2.083 -27.285 -33.086 2 HA THR 453 HA THR 453 -2.639 -27.562 -30.313 3 HB THR 453 HB THR 453 0.137 -27.245 -31.375 4 HG1 THR 453 HG1 THR 453 -0.226 -29.639 -31.764 5 HG23 THR 453 HG21 THR 453 0.731 -28.608 -29.586 6 HG22 THR 453 HG22 THR 453 -0.846 -29.395 -29.525 7 HG21 THR 453 HG23 THR 453 -0.654 -27.757 -28.902 No H/Q in entry = 7 In of MODEL 2 1 H ASN 454 H ASN 454 -1.758 -24.806 -32.231 2 HA ASN 454 HA ASN 454 -0.439 -23.338 -30.167 3 HB2 ASN 454 HB2 ASN 454 -0.610 -22.741 -32.655 4 HB3 ASN 454 HB3 ASN 454 -2.193 -22.090 -32.259 5 HD21 ASN 454 HD21 ASN 454 0.430 -20.929 -33.138 6 HD22 ASN 454 HD22 ASN 454 0.730 -19.659 -32.053 No H/Q in entry = 6 In of MODEL 2 1 H ASP 455 H ASP 455 -3.793 -23.419 -31.323 2 HA ASP 455 HA ASP 455 -4.713 -21.916 -29.112 3 HB2 ASP 455 HB2 ASP 455 -6.741 -23.515 -30.374 4 HB3 ASP 455 HB3 ASP 455 -6.597 -21.769 -30.203 No H/Q in entry = 4 In of MODEL 2 1 H LEU 456 H LEU 456 -4.994 -25.423 -29.816 2 HA LEU 456 HA LEU 456 -6.294 -26.214 -27.530 3 HB2 LEU 456 HB2 LEU 456 -5.517 -27.524 -29.552 4 HB3 LEU 456 HB3 LEU 456 -3.990 -27.700 -28.714 5 HG LEU 456 HG LEU 456 -5.660 -29.592 -28.553 6 HD13 LEU 456 HD11 LEU 456 -3.747 -29.611 -27.049 7 HD12 LEU 456 HD12 LEU 456 -5.180 -30.104 -26.149 8 HD11 LEU 456 HD13 LEU 456 -4.541 -28.472 -25.955 9 HD21 LEU 456 HD21 LEU 456 -7.574 -27.898 -28.103 10 HD23 LEU 456 HD22 LEU 456 -7.036 -27.959 -26.423 11 HD22 LEU 456 HD23 LEU 456 -7.590 -29.430 -27.226 No H/Q in entry = 11 In of MODEL 2 1 H THR 457 H THR 457 -2.796 -25.615 -27.871 2 HA THR 457 HA THR 457 -2.154 -26.435 -25.264 3 HB THR 457 HB THR 457 -0.586 -25.917 -27.223 4 HG1 THR 457 HG1 THR 457 0.896 -24.885 -25.512 5 HG22 THR 457 HG21 THR 457 -0.700 -23.136 -26.063 6 HG21 THR 457 HG22 THR 457 -1.534 -23.588 -27.550 7 HG23 THR 457 HG23 THR 457 0.224 -23.692 -27.458 No H/Q in entry = 7 In of MODEL 2 1 H GLN 458 H GLN 458 -2.924 -23.302 -26.683 2 HA GLN 458 HA GLN 458 -2.731 -21.655 -24.541 3 HB2 GLN 458 HB2 GLN 458 -3.120 -20.820 -26.741 4 HB3 GLN 458 HB3 GLN 458 -4.695 -21.579 -26.806 5 HG2 GLN 458 HG2 GLN 458 -5.520 -20.078 -25.101 6 HG3 GLN 458 HG3 GLN 458 -3.920 -19.371 -24.916 7 HE21 GLN 458 HE21 GLN 458 -4.253 -20.107 -28.141 8 HE22 GLN 458 HE22 GLN 458 -4.823 -18.616 -28.717 No H/Q in entry = 8 In of MODEL 2 1 H TYR 459 H TYR 459 -5.711 -23.431 -25.502 2 HA TYR 459 HA TYR 459 -7.041 -22.377 -23.170 3 HB2 TYR 459 HB2 TYR 459 -8.074 -24.610 -24.882 4 HB3 TYR 459 HB3 TYR 459 -8.988 -23.519 -23.842 5 HD1 TYR 459 HD1 TYR 459 -8.196 -24.168 -27.147 6 HD2 TYR 459 HD2 TYR 459 -8.364 -20.958 -24.353 7 HE1 TYR 459 HE1 TYR 459 -8.357 -22.572 -28.976 8 HE2 TYR 459 HE2 TYR 459 -8.555 -19.391 -26.178 9 HH TYR 459 HH TYR 459 -8.099 -20.298 -29.435 No H/Q in entry = 9 In of MODEL 2 1 H THR 460 H THR 460 -5.408 -25.350 -23.921 2 HA THR 460 HA THR 460 -6.711 -26.786 -21.827 3 HB THR 460 HB THR 460 -4.009 -27.303 -23.063 4 HG1 THR 460 HG1 THR 460 -6.225 -28.657 -23.987 5 HG22 THR 460 HG21 THR 460 -5.963 -29.335 -22.070 6 HG21 THR 460 HG22 THR 460 -4.846 -28.535 -20.963 7 HG23 THR 460 HG23 THR 460 -4.224 -29.490 -22.311 No H/Q in entry = 7 In of MODEL 2 1 H LEU 461 H LEU 461 -3.701 -24.936 -22.200 2 HA LEU 461 HA LEU 461 -3.135 -25.250 -19.361 3 HB2 LEU 461 HB2 LEU 461 -1.541 -24.081 -21.606 4 HB3 LEU 461 HB3 LEU 461 -1.080 -23.881 -19.943 5 HG LEU 461 HG LEU 461 0.161 -25.629 -21.260 6 HD12 LEU 461 HD11 LEU 461 -1.319 -26.628 -18.848 7 HD11 LEU 461 HD12 LEU 461 0.103 -25.585 -18.814 8 HD13 LEU 461 HD13 LEU 461 0.222 -27.222 -19.461 9 HD23 LEU 461 HD21 LEU 461 -0.929 -27.831 -21.363 10 HD22 LEU 461 HD22 LEU 461 -1.601 -26.634 -22.473 11 HD21 LEU 461 HD23 LEU 461 -2.458 -27.038 -20.984 No H/Q in entry = 11 In of MODEL 2 1 H ALA 462 H ALA 462 -5.012 -23.155 -21.136 2 HA ALA 462 HA ALA 462 -5.598 -20.928 -20.876 3 HB3 ALA 462 HB1 ALA 462 -5.064 -21.578 -17.980 4 HB2 ALA 462 HB2 ALA 462 -6.608 -21.675 -18.826 5 HB1 ALA 462 HB3 ALA 462 -5.850 -20.105 -18.548 No H/Q in entry = 5 In of MODEL 2 1 H VAL 463 H VAL 463 -3.103 -21.129 -21.820 2 HA VAL 463 HA VAL 463 -2.101 -18.696 -20.639 3 HB VAL 463 HB VAL 463 -0.504 -20.123 -19.760 4 HG11 VAL 463 HG11 VAL 463 -1.043 -21.970 -21.328 5 HG13 VAL 463 HG12 VAL 463 0.630 -21.825 -20.788 6 HG12 VAL 463 HG13 VAL 463 0.173 -21.280 -22.403 7 HG21 VAL 463 HG21 VAL 463 0.327 -18.049 -20.889 8 HG23 VAL 463 HG22 VAL 463 0.921 -19.106 -22.169 9 HG22 VAL 463 HG23 VAL 463 1.518 -19.293 -20.520 No H/Q in entry = 9 In of MODEL 2 1 H ASP 464 H ASP 464 -1.951 -17.114 -21.774 2 HA ASP 464 HA ASP 464 -3.033 -17.068 -24.357 3 HB2 ASP 464 HB2 ASP 464 -1.851 -14.633 -24.008 4 HB3 ASP 464 HB3 ASP 464 -3.443 -15.066 -23.412 No H/Q in entry = 4 In of MODEL 2 1 H ARG 465 H ARG 465 -2.071 -17.406 -26.195 2 HA ARG 465 HA ARG 465 0.567 -18.189 -26.592 3 HB2 ARG 465 HB2 ARG 465 -1.212 -18.720 -28.122 4 HB3 ARG 465 HB3 ARG 465 -1.431 -17.022 -28.506 5 HG2 ARG 465 HG2 ARG 465 -0.189 -18.154 -30.264 6 HG3 ARG 465 HG3 ARG 465 0.834 -16.960 -29.459 7 HD2 ARG 465 HD2 ARG 465 2.009 -18.569 -28.281 8 HD3 ARG 465 HD3 ARG 465 0.753 -19.771 -28.475 9 HE ARG 465 HE ARG 465 1.757 -20.427 -30.451 10 HH21 ARG 465 HH11 ARG 465 3.418 -20.366 -32.064 11 HH22 ARG 465 HH12 ARG 465 4.491 -19.006 -32.108 12 HH11 ARG 465 HH21 ARG 465 2.932 -17.327 -29.456 13 HH12 ARG 465 HH22 ARG 465 4.214 -17.273 -30.621 No H/Q in entry = 13 In of MODEL 2 1 H GLY 466 H GLY 466 -0.815 -15.056 -26.373 2 HA3 GLY 466 HA2 GLY 466 1.354 -13.695 -27.743 3 HA2 GLY 466 HA3 GLY 466 -0.084 -12.957 -27.055 No H/Q in entry = 3 In of MODEL 2 1 H ASN 467 H ASN 467 0.676 -14.616 -24.501 2 HA ASN 467 HA ASN 467 1.816 -12.244 -23.326 3 HB2 ASN 467 HB2 ASN 467 0.774 -12.937 -21.410 4 HB3 ASN 467 HB3 ASN 467 -0.222 -13.683 -22.642 5 HD21 ASN 467 HD21 ASN 467 0.484 -14.278 -19.749 6 HD22 ASN 467 HD22 ASN 467 0.897 -15.924 -19.738 No H/Q in entry = 6 In of MODEL 2 1 H ASP 468 H ASP 468 4.019 -12.113 -23.498 2 HA ASP 468 HA ASP 468 5.749 -14.328 -23.298 3 HB2 ASP 468 HB2 ASP 468 6.493 -11.439 -22.923 4 HB3 ASP 468 HB3 ASP 468 7.604 -12.769 -23.208 No H/Q in entry = 4 In of MODEL 2 1 HA MET 469 HA MET 469 6.381 -12.705 -18.822 2 HB2 MET 469 HB2 MET 469 3.427 -12.274 -18.518 3 HG2 MET 469 HG2 MET 469 4.477 -10.489 -19.776 4 HE1 MET 469 HE1 MET 469 5.415 -9.721 -16.021 5 HE3 MET 469 HE2 MET 469 6.090 -8.190 -16.564 6 HE2 MET 469 HE3 MET 469 7.161 -9.418 -15.899 7 H MET 469 HN MET 469 4.581 -12.140 -20.841 8 HB3 MET 469 HB1 MET 469 4.641 -12.123 -17.251 9 HG3 MET 469 HG1 MET 469 4.070 -9.944 -18.155 No H/Q in entry = 9 In of MODEL 2 1 H ILE 470 H ILE 470 3.645 -14.729 -19.865 2 HA ILE 470 HA ILE 470 4.656 -16.707 -17.952 3 HB ILE 470 HB ILE 470 1.970 -17.016 -19.212 4 HG12 ILE 470 HG12 ILE 470 1.967 -14.815 -18.224 5 HG13 ILE 470 HG13 ILE 470 0.960 -15.912 -17.307 6 HG21 ILE 470 HG21 ILE 470 3.517 -18.652 -17.683 7 HG23 ILE 470 HG22 ILE 470 1.764 -18.767 -17.848 8 HG22 ILE 470 HG23 ILE 470 2.465 -17.911 -16.475 9 HD11 ILE 470 HD11 ILE 470 3.535 -15.961 -16.166 10 HD13 ILE 470 HD12 ILE 470 2.035 -15.328 -15.485 11 HD12 ILE 470 HD13 ILE 470 3.091 -14.276 -16.431 No H/Q in entry = 11 In of MODEL 2 1 H SER 471 H SER 471 5.493 -16.112 -20.875 2 HA SER 471 HA SER 471 4.541 -18.164 -22.446 3 HB2 SER 471 HB2 SER 471 7.130 -16.702 -22.465 4 HB3 SER 471 HB3 SER 471 6.940 -18.111 -23.499 5 HG SER 471 HG SER 471 5.225 -17.137 -24.465 No H/Q in entry = 5 In of MODEL 2 1 H HIS 472 H HIS 472 6.870 -18.446 -19.836 2 HA HIS 472 HA HIS 472 8.056 -20.834 -20.633 3 HB2 HIS 472 HB2 HIS 472 7.668 -19.771 -17.837 4 HB3 HIS 472 HB3 HIS 472 8.721 -21.105 -18.260 5 HD1 HIS 472 HD1 HIS 472 10.767 -20.452 -19.908 6 HD2 HIS 472 HD2 HIS 472 8.801 -17.273 -18.064 7 HE1 HIS 472 HE1 HIS 472 12.301 -18.457 -20.159 8 HE2 HIS 472 HE2 HIS 472 11.099 -16.553 -19.009 No H/Q in entry = 8 In of MODEL 2 1 H LEU 473 H LEU 473 4.937 -20.266 -19.439 2 HA LEU 473 HA LEU 473 4.425 -23.027 -18.609 3 HB2 LEU 473 HB2 LEU 473 2.905 -20.475 -18.478 4 HB3 LEU 473 HB3 LEU 473 2.026 -21.981 -18.459 5 HG LEU 473 HG LEU 473 3.404 -22.634 -16.473 6 HD12 LEU 473 HD11 LEU 473 4.009 -19.849 -15.803 7 HD11 LEU 473 HD12 LEU 473 4.967 -20.496 -17.136 8 HD13 LEU 473 HD13 LEU 473 4.969 -21.311 -15.572 9 HD22 LEU 473 HD21 LEU 473 1.959 -21.532 -14.973 10 HD21 LEU 473 HD22 LEU 473 1.065 -21.690 -16.485 11 HD23 LEU 473 HD23 LEU 473 1.784 -20.141 -16.043 No H/Q in entry = 11 In of MODEL 2 1 H TYR 474 H TYR 474 4.468 -21.377 -21.534 2 HA TYR 474 HA TYR 474 2.039 -22.639 -22.518 3 HB2 TYR 474 HB2 TYR 474 2.140 -21.029 -24.056 4 HB3 TYR 474 HB3 TYR 474 3.619 -20.438 -23.320 5 HD1 TYR 474 HD1 TYR 474 2.312 -22.790 -25.878 6 HD2 TYR 474 HD2 TYR 474 5.708 -20.704 -24.408 7 HE1 TYR 474 HE1 TYR 474 3.581 -23.440 -27.875 8 HE2 TYR 474 HE2 TYR 474 6.963 -21.337 -26.394 9 HH TYR 474 HH TYR 474 7.025 -22.702 -28.168 No H/Q in entry = 9 In of MODEL 2 1 H GLN 475 H GLN 475 2.377 -24.841 -22.477 2 HA GLN 475 HA GLN 475 4.772 -25.789 -23.931 3 HB2 GLN 475 HB2 GLN 475 3.527 -27.117 -21.548 4 HB3 GLN 475 HB3 GLN 475 4.963 -27.634 -22.421 5 HG2 GLN 475 HG2 GLN 475 6.061 -25.555 -21.805 6 HG3 GLN 475 HG3 GLN 475 4.631 -25.072 -20.912 7 HE21 GLN 475 HE21 GLN 475 7.606 -26.578 -20.789 8 HE22 GLN 475 HE22 GLN 475 7.511 -27.323 -19.268 No H/Q in entry = 8 In of MODEL 2 1 HA PRO 476 HA PRO 476 1.326 -27.846 -25.851 2 HB2 PRO 476 HB2 PRO 476 3.256 -28.216 -28.063 3 HB3 PRO 476 HB3 PRO 476 1.642 -27.479 -28.105 4 HG2 PRO 476 HG2 PRO 476 3.805 -25.946 -28.402 5 HG3 PRO 476 HG3 PRO 476 2.436 -25.375 -27.430 6 HD2 PRO 476 HD2 PRO 476 4.997 -26.645 -26.477 7 HD3 PRO 476 HD3 PRO 476 4.188 -25.159 -25.904 No H/Q in entry = 7 In of MODEL 2 1 H MET 477 H MET 477 4.562 -28.549 -24.968 2 HA MET 477 HA MET 477 4.138 -31.387 -25.494 3 HB2 MET 477 HB2 MET 477 6.563 -31.608 -24.995 4 HB3 MET 477 HB3 MET 477 6.168 -30.668 -26.435 5 HG2 MET 477 HG2 MET 477 6.356 -28.619 -25.140 6 HG3 MET 477 HG3 MET 477 6.759 -29.555 -23.713 7 HE2 MET 477 HE1 MET 477 8.497 -27.562 -26.905 8 HE1 MET 477 HE2 MET 477 7.361 -28.843 -27.311 9 HE3 MET 477 HE3 MET 477 9.067 -29.038 -27.704 No H/Q in entry = 9 In of MODEL 2 1 H SER 478 H SER 478 2.545 -30.692 -23.783 2 HA SER 478 HA SER 478 3.640 -31.296 -21.119 3 HB2 SER 478 HB2 SER 478 2.211 -29.485 -20.855 4 HB3 SER 478 HB3 SER 478 1.158 -30.007 -22.172 5 HG SER 478 HG SER 478 1.075 -30.585 -19.565 No H/Q in entry = 5 In of MODEL 2 1 HA PRO 479 HA PRO 479 1.830 -35.343 -21.429 2 HB2 PRO 479 HB2 PRO 479 0.833 -34.795 -18.688 3 HB3 PRO 479 HB3 PRO 479 1.807 -36.149 -19.277 4 HG2 PRO 479 HG2 PRO 479 2.754 -34.173 -17.763 5 HG3 PRO 479 HG3 PRO 479 3.723 -35.096 -18.914 6 HD2 PRO 479 HD2 PRO 479 2.815 -32.261 -19.118 7 HD3 PRO 479 HD3 PRO 479 4.149 -33.087 -19.958 No H/Q in entry = 7 In of MODEL 2 1 H SER 480 H SER 480 0.174 -32.417 -20.294 2 HA SER 480 HA SER 480 -2.443 -33.552 -20.550 3 HB2 SER 480 HB2 SER 480 -3.041 -31.792 -19.392 4 HB3 SER 480 HB3 SER 480 -1.378 -31.233 -19.439 5 HG SER 480 HG SER 480 -1.906 -30.197 -21.422 No H/Q in entry = 5 In of MODEL 2 1 H VAL 481 H VAL 481 -0.501 -31.507 -22.746 2 HA VAL 481 HA VAL 481 -2.761 -31.342 -24.508 3 HB VAL 481 HB VAL 481 -1.113 -30.240 -26.085 4 HG12 VAL 481 HG11 VAL 481 -0.804 -28.250 -24.638 5 HG11 VAL 481 HG12 VAL 481 -1.409 -29.209 -23.286 6 HG13 VAL 481 HG13 VAL 481 -2.451 -28.875 -24.669 7 HG23 VAL 481 HG21 VAL 481 0.953 -29.496 -24.525 8 HG22 VAL 481 HG22 VAL 481 1.017 -30.875 -25.625 9 HG21 VAL 481 HG23 VAL 481 0.683 -31.128 -23.911 No H/Q in entry = 9 In of MODEL 2 1 H LEU 482 H LEU 482 0.167 -33.296 -24.275 2 HA LEU 482 HA LEU 482 -0.063 -34.539 -26.797 3 HB2 LEU 482 HB2 LEU 482 1.189 -35.641 -24.277 4 HB3 LEU 482 HB3 LEU 482 1.356 -36.353 -25.884 5 HG LEU 482 HG LEU 482 2.131 -33.548 -25.109 6 HD12 LEU 482 HD11 LEU 482 4.205 -35.487 -25.913 7 HD11 LEU 482 HD12 LEU 482 3.517 -35.619 -24.294 8 HD13 LEU 482 HD13 LEU 482 4.281 -34.114 -24.808 9 HD22 LEU 482 HD21 LEU 482 1.782 -33.232 -27.316 10 HD21 LEU 482 HD22 LEU 482 2.070 -34.923 -27.728 11 HD23 LEU 482 HD23 LEU 482 3.431 -33.848 -27.403 No H/Q in entry = 11 In of MODEL 2 1 H ASN 483 H ASN 483 -1.246 -35.599 -23.622 2 HA ASN 483 HA ASN 483 -2.510 -37.882 -24.535 3 HB2 ASN 483 HB2 ASN 483 -2.964 -36.115 -22.220 4 HB3 ASN 483 HB3 ASN 483 -4.101 -37.413 -22.575 5 HD21 ASN 483 HD21 ASN 483 -0.896 -36.558 -21.631 6 HD22 ASN 483 HD22 ASN 483 -0.383 -38.118 -21.201 No H/Q in entry = 6 In of MODEL 2 1 H LEU 484 H LEU 484 -3.877 -34.627 -24.478 2 HA LEU 484 HA LEU 484 -6.379 -35.321 -25.557 3 HB2 LEU 484 HB2 LEU 484 -4.864 -32.826 -25.206 4 HB3 LEU 484 HB3 LEU 484 -6.078 -32.825 -26.451 5 HG LEU 484 HG LEU 484 -7.787 -33.347 -24.739 6 HD13 LEU 484 HD11 LEU 484 -7.302 -33.637 -22.500 7 HD12 LEU 484 HD12 LEU 484 -5.788 -32.739 -22.599 8 HD11 LEU 484 HD13 LEU 484 -5.883 -34.379 -23.240 9 HD21 LEU 484 HD21 LEU 484 -7.229 -31.003 -25.380 10 HD23 LEU 484 HD22 LEU 484 -6.093 -30.937 -24.032 11 HD22 LEU 484 HD23 LEU 484 -7.818 -31.140 -23.723 No H/Q in entry = 11 In of MODEL 2 1 H ILE 485 H ILE 485 -3.300 -34.477 -27.101 2 HA ILE 485 HA ILE 485 -4.242 -34.470 -29.786 3 HB ILE 485 HB ILE 485 -1.762 -34.221 -28.556 4 HG12 ILE 485 HG12 ILE 485 -2.677 -32.904 -30.414 5 HG13 ILE 485 HG13 ILE 485 -1.047 -33.474 -30.748 6 HG21 ILE 485 HG21 ILE 485 -1.377 -36.651 -28.812 7 HG23 ILE 485 HG22 ILE 485 -0.273 -35.711 -29.816 8 HG22 ILE 485 HG23 ILE 485 -1.663 -36.512 -30.548 9 HD11 ILE 485 HD11 ILE 485 -2.863 -35.418 -31.629 10 HD13 ILE 485 HD12 ILE 485 -1.759 -34.412 -32.572 11 HD12 ILE 485 HD13 ILE 485 -3.395 -33.849 -32.226 No H/Q in entry = 11 In of MODEL 2 1 H LYS 486 H LYS 486 -2.965 -37.135 -27.813 2 HA LYS 486 HA LYS 486 -3.112 -39.148 -29.735 3 HB2 LYS 486 HB2 LYS 486 -2.054 -39.315 -27.400 4 HB3 LYS 486 HB3 LYS 486 -3.681 -39.590 -26.792 5 HG2 LYS 486 HG2 LYS 486 -3.686 -41.460 -28.730 6 HG3 LYS 486 HG3 LYS 486 -1.948 -41.388 -28.465 7 HD2 LYS 486 HD2 LYS 486 -2.304 -41.854 -26.035 8 HD3 LYS 486 HD3 LYS 486 -4.037 -41.932 -26.304 9 HE2 LYS 486 HE2 LYS 486 -2.172 -44.085 -26.453 10 HE3 LYS 486 HE3 LYS 486 -3.886 -44.141 -26.828 11 HZ2 LYS 486 HZ1 LYS 486 -1.857 -44.659 -28.589 12 HZ1 LYS 486 HZ2 LYS 486 -2.288 -43.066 -28.995 13 HZ3 LYS 486 HZ3 LYS 486 -3.457 -44.298 -29.027 No H/Q in entry = 13 In of MODEL 2 1 H GLN 487 H GLN 487 -5.443 -37.836 -27.536 2 HA GLN 487 HA GLN 487 -7.233 -39.975 -27.780 3 HB2 GLN 487 HB2 GLN 487 -7.405 -38.761 -25.805 4 HB3 GLN 487 HB3 GLN 487 -7.259 -37.219 -26.614 5 HG2 GLN 487 HG2 GLN 487 -9.545 -37.448 -27.429 6 HG3 GLN 487 HG3 GLN 487 -9.676 -38.997 -26.605 7 HE21 GLN 487 HE21 GLN 487 -8.490 -38.536 -24.210 8 HE22 GLN 487 HE22 GLN 487 -9.330 -37.348 -23.334 No H/Q in entry = 8 In of MODEL 2 1 H VAL 488 H VAL 488 -6.744 -36.949 -29.446 2 HA VAL 488 HA VAL 488 -9.150 -36.961 -30.983 3 HB VAL 488 HB VAL 488 -6.558 -35.467 -31.451 4 HG11 VAL 488 HG11 VAL 488 -9.260 -35.151 -32.748 5 HG13 VAL 488 HG12 VAL 488 -7.727 -35.542 -33.528 6 HG12 VAL 488 HG13 VAL 488 -7.980 -33.941 -32.833 7 HG21 VAL 488 HG21 VAL 488 -7.813 -35.054 -29.347 8 HG23 VAL 488 HG22 VAL 488 -9.126 -34.437 -30.352 9 HG22 VAL 488 HG23 VAL 488 -7.546 -33.652 -30.380 No H/Q in entry = 9 In of MODEL 2 1 H ILE 489 H ILE 489 -5.774 -37.806 -31.710 2 HA ILE 489 HA ILE 489 -6.073 -38.534 -34.380 3 HB ILE 489 HB ILE 489 -4.314 -39.717 -32.258 4 HG12 ILE 489 HG12 ILE 489 -3.797 -37.659 -34.405 5 HG13 ILE 489 HG13 ILE 489 -3.945 -37.340 -32.688 6 HG23 ILE 489 HG21 ILE 489 -4.441 -41.358 -33.961 7 HG22 ILE 489 HG22 ILE 489 -2.946 -40.470 -34.258 8 HG21 ILE 489 HG23 ILE 489 -4.375 -40.145 -35.240 9 HD12 ILE 489 HD11 ILE 489 -1.669 -38.510 -34.218 10 HD11 ILE 489 HD12 ILE 489 -1.941 -39.122 -32.586 11 HD13 ILE 489 HD13 ILE 489 -1.654 -37.401 -32.845 No H/Q in entry = 11 In of MODEL 2 1 H ASP 490 H ASP 490 -6.331 -40.511 -31.437 2 HA ASP 490 HA ASP 490 -7.049 -42.889 -32.648 3 HB2 ASP 490 HB2 ASP 490 -7.654 -41.869 -29.884 4 HB3 ASP 490 HB3 ASP 490 -8.045 -43.495 -30.423 No H/Q in entry = 4 In of MODEL 2 1 H ALA 491 H ALA 491 -9.180 -40.304 -31.406 2 HA ALA 491 HA ALA 491 -11.624 -41.477 -32.055 3 HB2 ALA 491 HB1 ALA 491 -10.817 -38.593 -32.302 4 HB1 ALA 491 HB2 ALA 491 -11.687 -39.366 -30.977 5 HB3 ALA 491 HB3 ALA 491 -12.463 -39.177 -32.550 No H/Q in entry = 5 In of MODEL 2 1 H SER 492 H SER 492 -9.632 -39.458 -34.252 2 HA SER 492 HA SER 492 -10.899 -39.639 -36.665 3 HB2 SER 492 HB2 SER 492 -8.036 -39.782 -35.858 4 HB3 SER 492 HB3 SER 492 -8.438 -40.244 -37.511 5 HG SER 492 HG SER 492 -9.727 -38.007 -36.634 No H/Q in entry = 5 In of MODEL 2 1 H HIS 493 H HIS 493 -8.530 -41.957 -35.443 2 HA HIS 493 HA HIS 493 -8.788 -43.562 -37.700 3 HB2 HIS 493 HB2 HIS 493 -7.552 -44.244 -35.044 4 HB3 HIS 493 HB3 HIS 493 -7.406 -45.216 -36.496 5 HD1 HIS 493 HD1 HIS 493 -7.174 -42.259 -38.087 6 HD2 HIS 493 HD2 HIS 493 -4.668 -43.983 -35.265 7 HE1 HIS 493 HE1 HIS 493 -4.936 -41.155 -38.416 8 HE2 HIS 493 HE2 HIS 493 -3.428 -42.227 -36.704 No H/Q in entry = 8 In of MODEL 2 1 H ALA 494 H ALA 494 -10.359 -43.619 -34.580 2 HA ALA 494 HA ALA 494 -11.325 -46.253 -34.867 3 HB3 ALA 494 HB1 ALA 494 -12.763 -45.885 -33.050 4 HB1 ALA 494 HB2 ALA 494 -12.836 -44.147 -33.343 5 HB2 ALA 494 HB3 ALA 494 -11.356 -44.873 -32.717 No H/Q in entry = 5 In of MODEL 2 1 H GLU 495 H GLU 495 -12.473 -43.164 -36.180 2 HA GLU 495 HA GLU 495 -14.855 -44.488 -37.274 3 HB2 GLU 495 HB2 GLU 495 -13.841 -41.692 -37.691 4 HB3 GLU 495 HB3 GLU 495 -15.295 -42.344 -38.411 5 HG2 GLU 495 HG2 GLU 495 -14.723 -41.797 -35.544 6 HG3 GLU 495 HG3 GLU 495 -15.928 -41.051 -36.585 No H/Q in entry = 6 In of MODEL 2 1 H GLY 496 H GLY 496 -11.697 -44.478 -38.129 2 HA3 GLY 496 HA2 GLY 496 -10.676 -45.138 -40.101 3 HA2 GLY 496 HA3 GLY 496 -12.257 -45.214 -40.859 No H/Q in entry = 3 In of MODEL 2 1 H LYS 497 H LYS 497 -11.424 -42.276 -39.288 2 HA LYS 497 HA LYS 497 -10.783 -40.941 -41.853 3 HB2 LYS 497 HB2 LYS 497 -11.859 -39.936 -39.227 4 HB3 LYS 497 HB3 LYS 497 -11.044 -38.853 -40.341 5 HG2 LYS 497 HG2 LYS 497 -13.374 -38.672 -40.680 6 HG3 LYS 497 HG3 LYS 497 -12.672 -39.476 -42.068 7 HD2 LYS 497 HD2 LYS 497 -13.439 -41.638 -41.167 8 HD3 LYS 497 HD3 LYS 497 -14.191 -40.785 -39.819 9 HE2 LYS 497 HE2 LYS 497 -15.528 -39.484 -41.442 10 HE3 LYS 497 HE3 LYS 497 -14.840 -40.473 -42.743 11 HZ3 LYS 497 HZ1 LYS 497 -16.892 -41.402 -41.978 12 HZ2 LYS 497 HZ2 LYS 497 -16.306 -41.460 -40.384 13 HZ1 LYS 497 HZ3 LYS 497 -15.603 -42.429 -41.590 No H/Q in entry = 13 In of MODEL 2 1 H TRP 498 H TRP 498 -9.398 -38.880 -41.027 2 HA TRP 498 HA TRP 498 -7.070 -39.967 -39.609 3 HB2 TRP 498 HB2 TRP 498 -5.689 -38.791 -41.361 4 HB3 TRP 498 HB3 TRP 498 -6.542 -40.226 -41.900 5 HD1 TRP 498 HD1 TRP 498 -9.172 -39.458 -42.995 6 HE1 TRP 498 HE1 TRP 498 -9.587 -37.644 -44.776 7 HE3 TRP 498 HE3 TRP 498 -4.878 -36.734 -42.418 8 HZ2 TRP 498 HZ2 TRP 498 -8.320 -35.412 -45.807 9 HZ3 TRP 498 HZ3 TRP 498 -4.561 -34.715 -43.846 10 HH2 TRP 498 HH2 TRP 498 -6.266 -34.079 -45.514 No H/Q in entry = 10 In of MODEL 2 1 H THR 499 H THR 499 -5.593 -38.394 -38.804 2 HA THR 499 HA THR 499 -6.836 -35.751 -38.418 3 HB THR 499 HB THR 499 -6.740 -37.082 -36.325 4 HG1 THR 499 HG1 THR 499 -5.411 -34.755 -36.845 5 HG23 THR 499 HG21 THR 499 -4.888 -38.200 -35.626 6 HG22 THR 499 HG22 THR 499 -3.790 -36.961 -36.237 7 HG21 THR 499 HG23 THR 499 -4.460 -38.167 -37.337 No H/Q in entry = 7 In of MODEL 2 1 H GLY 500 H GLY 500 -5.619 -34.140 -39.014 2 HA3 GLY 500 HA2 GLY 500 -2.739 -34.602 -39.505 3 HA2 GLY 500 HA3 GLY 500 -3.676 -33.376 -40.366 No H/Q in entry = 3 In of MODEL 2 1 H MET 501 H MET 501 -1.686 -32.277 -39.249 2 HA MET 501 HA MET 501 -2.705 -30.875 -36.893 3 HB2 MET 501 HB2 MET 501 -0.053 -32.254 -37.148 4 HB3 MET 501 HB3 MET 501 -0.327 -30.939 -36.014 5 HG2 MET 501 HG2 MET 501 -2.432 -32.869 -35.842 6 HG3 MET 501 HG3 MET 501 -0.882 -33.662 -35.686 7 HE2 MET 501 HE1 MET 501 0.413 -30.436 -33.803 8 HE1 MET 501 HE2 MET 501 1.069 -31.992 -34.304 9 HE3 MET 501 HE3 MET 501 0.832 -31.660 -32.591 No H/Q in entry = 9 In of MODEL 2 1 H CYS 502 H CYS 502 -2.672 -28.732 -37.418 2 HA CYS 502 HA CYS 502 -0.476 -27.833 -39.153 3 HB2 CYS 502 HB2 CYS 502 -2.830 -26.082 -38.776 4 HB3 CYS 502 HB3 CYS 502 -1.784 -26.284 -40.169 5 HG CYS 502 HG CYS 502 -4.313 -27.791 -39.602 No H/Q in entry = 5 In of MODEL 2 1 H GLY 503 H GLY 503 -1.555 -27.729 -36.005 2 HA3 GLY 503 HA2 GLY 503 -0.612 -25.187 -35.136 3 HA2 GLY 503 HA3 GLY 503 -0.642 -26.665 -34.173 No H/Q in entry = 3 In of MODEL 2 1 H GLU 504 H GLU 504 1.412 -24.806 -34.047 2 HA GLU 504 HA GLU 504 3.523 -25.369 -35.793 3 HB2 GLU 504 HB2 GLU 504 3.056 -23.415 -34.071 4 HB3 GLU 504 HB3 GLU 504 4.269 -24.322 -33.175 5 HG2 GLU 504 HG2 GLU 504 4.516 -23.292 -35.993 6 HG3 GLU 504 HG3 GLU 504 5.326 -22.648 -34.575 No H/Q in entry = 6 In of MODEL 2 1 H LEU 505 H LEU 505 2.495 -27.236 -33.131 2 HA LEU 505 HA LEU 505 4.895 -28.501 -32.404 3 HB2 LEU 505 HB2 LEU 505 2.479 -28.781 -31.530 4 HB3 LEU 505 HB3 LEU 505 2.370 -30.022 -32.753 5 HG LEU 505 HG LEU 505 4.262 -31.182 -31.711 6 HD11 LEU 505 HD11 LEU 505 4.238 -28.683 -30.167 7 HD13 LEU 505 HD12 LEU 505 5.587 -29.677 -30.723 8 HD12 LEU 505 HD13 LEU 505 4.667 -30.154 -29.296 9 HD22 LEU 505 HD21 LEU 505 2.297 -32.117 -30.887 10 HD21 LEU 505 HD22 LEU 505 1.800 -30.627 -30.083 11 HD23 LEU 505 HD23 LEU 505 3.093 -31.609 -29.397 No H/Q in entry = 11 In of MODEL 2 1 H ALA 506 H ALA 506 2.748 -29.110 -35.146 2 HA ALA 506 HA ALA 506 3.787 -31.493 -36.135 3 HB2 ALA 506 HB1 ALA 506 2.564 -29.102 -37.466 4 HB1 ALA 506 HB2 ALA 506 1.911 -30.731 -37.288 5 HB3 ALA 506 HB3 ALA 506 3.218 -30.422 -38.435 No H/Q in entry = 5 In of MODEL 2 1 H GLY 507 H GLY 507 4.889 -28.158 -36.573 2 HA3 GLY 507 HA2 GLY 507 7.118 -28.995 -38.213 3 HA2 GLY 507 HA3 GLY 507 6.706 -27.353 -37.763 No H/Q in entry = 3 In of MODEL 2 1 H ASP 508 H ASP 508 6.757 -29.104 -34.953 2 HA ASP 508 HA ASP 508 9.290 -27.893 -34.186 3 HB2 ASP 508 HB2 ASP 508 7.104 -27.751 -32.913 4 HB3 ASP 508 HB3 ASP 508 7.295 -29.449 -32.530 No H/Q in entry = 4 In of MODEL 2 1 H GLU 509 H GLU 509 11.148 -29.041 -34.459 2 HA GLU 509 HA GLU 509 11.545 -31.655 -35.162 3 HB2 GLU 509 HB2 GLU 509 13.321 -29.981 -33.423 4 HB3 GLU 509 HB3 GLU 509 13.793 -31.510 -34.126 5 HG2 GLU 509 HG2 GLU 509 13.584 -30.576 -36.346 6 HG3 GLU 509 HG3 GLU 509 12.996 -29.060 -35.676 No H/Q in entry = 6 In of MODEL 2 1 H ARG 510 H ARG 510 10.677 -30.601 -32.004 2 HA ARG 510 HA ARG 510 11.907 -32.871 -30.695 3 HB2 ARG 510 HB2 ARG 510 10.441 -30.419 -29.835 4 HB3 ARG 510 HB3 ARG 510 10.744 -31.721 -28.699 5 HG2 ARG 510 HG2 ARG 510 12.556 -30.388 -28.352 6 HG3 ARG 510 HG3 ARG 510 13.186 -31.496 -29.571 7 HD2 ARG 510 HD2 ARG 510 12.518 -29.873 -31.314 8 HD3 ARG 510 HD3 ARG 510 12.052 -28.752 -30.035 9 HE ARG 510 HE ARG 510 14.277 -28.315 -29.666 10 HH21 ARG 510 HH11 ARG 510 16.448 -28.466 -29.956 11 HH22 ARG 510 HH12 ARG 510 17.122 -29.776 -30.865 12 HH11 ARG 510 HH21 ARG 510 14.013 -31.281 -31.502 13 HH12 ARG 510 HH22 ARG 510 15.722 -31.405 -31.761 No H/Q in entry = 13 In of MODEL 2 1 H ALA 511 H ALA 511 8.877 -32.121 -32.032 2 HA ALA 511 HA ALA 511 7.576 -34.092 -30.312 3 HB2 ALA 511 HB1 ALA 511 5.671 -32.996 -30.595 4 HB3 ALA 511 HB2 ALA 511 6.009 -32.628 -32.286 5 HB1 ALA 511 HB3 ALA 511 6.747 -31.662 -31.008 No H/Q in entry = 5 In of MODEL 2 1 H THR 512 H THR 512 8.914 -33.689 -33.407 2 HA THR 512 HA THR 512 7.247 -34.929 -35.089 3 HB THR 512 HB THR 512 10.201 -35.422 -35.102 4 HG1 THR 512 HG1 THR 512 10.388 -33.462 -36.032 5 HG22 THR 512 HG21 THR 512 9.785 -35.415 -37.557 6 HG21 THR 512 HG22 THR 512 8.056 -35.379 -37.210 7 HG23 THR 512 HG23 THR 512 9.029 -36.758 -36.701 No H/Q in entry = 7 In of MODEL 2 1 H LEU 513 H LEU 513 9.695 -36.776 -33.154 2 HA LEU 513 HA LEU 513 8.818 -39.308 -34.082 3 HB2 LEU 513 HB2 LEU 513 9.995 -38.904 -31.376 4 HB3 LEU 513 HB3 LEU 513 9.982 -40.352 -32.343 5 HG LEU 513 HG LEU 513 11.464 -37.885 -33.202 6 HD11 LEU 513 HD11 LEU 513 12.398 -40.038 -31.305 7 HD13 LEU 513 HD12 LEU 513 12.306 -38.300 -31.015 8 HD12 LEU 513 HD13 LEU 513 13.492 -38.942 -32.154 9 HD23 LEU 513 HD21 LEU 513 11.945 -40.788 -33.759 10 HD22 LEU 513 HD22 LEU 513 12.832 -39.417 -34.430 11 HD21 LEU 513 HD23 LEU 513 11.134 -39.658 -34.841 No H/Q in entry = 11 In of MODEL 2 1 H LEU 514 H LEU 514 7.611 -37.366 -31.410 2 HA LEU 514 HA LEU 514 5.940 -39.450 -30.354 3 HB2 LEU 514 HB2 LEU 514 6.236 -36.526 -29.915 4 HB3 LEU 514 HB3 LEU 514 4.706 -37.255 -29.469 5 HG LEU 514 HG LEU 514 5.817 -38.765 -27.943 6 HD11 LEU 514 HD11 LEU 514 7.818 -39.073 -29.285 7 HD13 LEU 514 HD12 LEU 514 8.184 -38.684 -27.603 8 HD12 LEU 514 HD13 LEU 514 8.340 -37.447 -28.850 9 HD21 LEU 514 HD21 LEU 514 5.493 -36.093 -27.622 10 HD23 LEU 514 HD22 LEU 514 7.210 -36.261 -27.254 11 HD22 LEU 514 HD23 LEU 514 6.017 -37.183 -26.338 No H/Q in entry = 11 In of MODEL 2 1 H LEU 515 H LEU 515 5.280 -36.562 -32.325 2 HA LEU 515 HA LEU 515 2.573 -36.951 -32.776 3 HB2 LEU 515 HB2 LEU 515 4.834 -35.779 -34.351 4 HB3 LEU 515 HB3 LEU 515 3.237 -35.924 -35.081 5 HG LEU 515 HG LEU 515 2.248 -34.579 -33.347 6 HD11 LEU 515 HD11 LEU 515 4.981 -34.751 -32.129 7 HD13 LEU 515 HD12 LEU 515 3.459 -35.326 -31.449 8 HD12 LEU 515 HD13 LEU 515 3.754 -33.596 -31.619 9 HD22 LEU 515 HD21 LEU 515 3.447 -32.502 -33.732 10 HD21 LEU 515 HD22 LEU 515 3.424 -33.465 -35.210 11 HD23 LEU 515 HD23 LEU 515 4.882 -33.400 -34.221 No H/Q in entry = 11 In of MODEL 2 1 H LEU 516 H LEU 516 5.397 -38.192 -34.551 2 HA LEU 516 HA LEU 516 3.979 -39.753 -36.413 3 HB2 LEU 516 HB2 LEU 516 6.647 -40.248 -35.199 4 HB3 LEU 516 HB3 LEU 516 6.036 -41.021 -36.612 5 HG LEU 516 HG LEU 516 6.958 -38.178 -36.347 6 HD13 LEU 516 HD11 LEU 516 8.859 -39.719 -36.534 7 HD12 LEU 516 HD12 LEU 516 8.656 -38.801 -38.028 8 HD11 LEU 516 HD13 LEU 516 8.116 -40.479 -37.944 9 HD21 LEU 516 HD21 LEU 516 5.600 -39.698 -38.574 10 HD23 LEU 516 HD22 LEU 516 6.471 -38.189 -38.840 11 HD22 LEU 516 HD23 LEU 516 5.064 -38.216 -37.781 No H/Q in entry = 11 In of MODEL 2 1 H GLY 517 H GLY 517 5.386 -40.769 -33.298 2 HA3 GLY 517 HA2 GLY 517 4.684 -43.469 -33.467 3 HA2 GLY 517 HA3 GLY 517 5.052 -42.606 -31.977 No H/Q in entry = 3 In of MODEL 2 1 H MET 518 H MET 518 2.915 -40.679 -32.403 2 HA MET 518 HA MET 518 0.827 -42.168 -31.114 3 HB2 MET 518 HB2 MET 518 1.264 -39.309 -31.829 4 HB3 MET 518 HB3 MET 518 -0.294 -39.867 -31.253 5 HG2 MET 518 HG2 MET 518 0.890 -40.752 -29.192 6 HG3 MET 518 HG3 MET 518 2.338 -39.894 -29.761 7 HE3 MET 518 HE1 MET 518 2.715 -37.506 -28.531 8 HE2 MET 518 HE2 MET 518 1.898 -36.319 -29.548 9 HE1 MET 518 HE3 MET 518 2.610 -37.756 -30.280 No H/Q in entry = 9 In of MODEL 2 1 H GLY 519 H GLY 519 1.622 -41.721 -34.278 2 HA3 GLY 519 HA2 GLY 519 0.505 -42.643 -36.067 3 HA2 GLY 519 HA3 GLY 519 -0.949 -42.713 -35.103 No H/Q in entry = 3 In of MODEL 2 1 H LEU 520 H LEU 520 0.430 -39.590 -35.238 2 HA LEU 520 HA LEU 520 -1.725 -38.349 -36.492 3 HB2 LEU 520 HB2 LEU 520 0.520 -36.866 -37.136 4 HB3 LEU 520 HB3 LEU 520 -0.505 -36.666 -35.735 5 HG LEU 520 HG LEU 520 1.278 -38.693 -35.048 6 HD13 LEU 520 HD11 LEU 520 2.672 -38.130 -36.941 7 HD12 LEU 520 HD12 LEU 520 3.444 -37.553 -35.462 8 HD11 LEU 520 HD13 LEU 520 2.607 -36.418 -36.522 9 HD22 LEU 520 HD21 LEU 520 1.976 -37.038 -33.464 10 HD21 LEU 520 HD22 LEU 520 0.241 -36.875 -33.737 11 HD23 LEU 520 HD23 LEU 520 1.365 -35.742 -34.492 No H/Q in entry = 11 In of MODEL 2 1 H ASP 521 H ASP 521 -2.296 -38.096 -38.580 2 HA ASP 521 HA ASP 521 -0.998 -39.803 -40.531 3 HB2 ASP 521 HB2 ASP 521 -3.472 -39.720 -40.201 4 HB3 ASP 521 HB3 ASP 521 -3.454 -38.094 -40.866 No H/Q in entry = 4 In of MODEL 2 1 H GLU 522 H GLU 522 -1.462 -36.449 -39.913 2 HA GLU 522 HA GLU 522 0.043 -35.808 -42.343 3 HB2 GLU 522 HB2 GLU 522 -2.123 -35.647 -43.132 4 HB3 GLU 522 HB3 GLU 522 -2.751 -35.080 -41.597 5 HG2 GLU 522 HG2 GLU 522 -2.818 -33.307 -43.197 6 HG3 GLU 522 HG3 GLU 522 -1.632 -32.929 -41.960 No H/Q in entry = 6 In of MODEL 2 1 H PHE 523 H PHE 523 1.410 -34.132 -42.176 2 HA PHE 523 HA PHE 523 1.235 -32.499 -39.701 3 HB2 PHE 523 HB2 PHE 523 3.750 -32.587 -41.277 4 HB3 PHE 523 HB3 PHE 523 3.522 -32.403 -39.553 5 HD1 PHE 523 HD1 PHE 523 5.283 -34.259 -41.492 6 HD2 PHE 523 HD2 PHE 523 1.893 -34.845 -38.963 7 HE1 PHE 523 HE1 PHE 523 5.879 -36.667 -41.256 8 HE2 PHE 523 HE2 PHE 523 2.449 -37.213 -38.710 9 HZ PHE 523 HZ PHE 523 4.466 -38.139 -39.824 No H/Q in entry = 9 In of MODEL 2 1 H SER 524 H SER 524 1.116 -30.272 -40.004 2 HA SER 524 HA SER 524 1.907 -29.412 -42.703 3 HB2 SER 524 HB2 SER 524 -0.069 -27.965 -42.934 4 HB3 SER 524 HB3 SER 524 -0.496 -29.672 -42.858 5 HG SER 524 HG SER 524 -1.490 -27.857 -41.409 No H/Q in entry = 5 In of MODEL 2 1 H MET 525 H MET 525 3.076 -27.585 -42.742 2 HA MET 525 HA MET 525 3.196 -26.015 -40.245 3 HB2 MET 525 HB2 MET 525 5.698 -26.327 -40.504 4 HB3 MET 525 HB3 MET 525 4.772 -27.687 -39.884 5 HG2 MET 525 HG2 MET 525 4.674 -28.554 -42.229 6 HG3 MET 525 HG3 MET 525 5.835 -27.297 -42.659 7 HE2 MET 525 HE1 MET 525 6.891 -31.478 -41.828 8 HE1 MET 525 HE2 MET 525 5.276 -30.789 -41.976 9 HE3 MET 525 HE3 MET 525 5.908 -31.185 -40.382 No H/Q in entry = 9 In of MODEL 2 1 H SER 526 H SER 526 4.989 -24.358 -40.485 2 HA SER 526 HA SER 526 4.893 -22.683 -42.765 3 HB2 SER 526 HB2 SER 526 6.875 -21.780 -41.888 4 HB3 SER 526 HB3 SER 526 6.018 -22.344 -40.462 5 HG SER 526 HG SER 526 7.599 -23.633 -40.103 No H/Q in entry = 5 In of MODEL 2 1 H ALA 527 H ALA 527 5.820 -23.025 -44.714 2 HA ALA 527 HA ALA 527 6.615 -25.501 -45.669 3 HB2 ALA 527 HB1 ALA 527 6.008 -23.476 -46.974 4 HB1 ALA 527 HB2 ALA 527 7.418 -24.351 -47.569 5 HB3 ALA 527 HB3 ALA 527 7.626 -22.861 -46.650 No H/Q in entry = 5 In of MODEL 2 1 H ILE 528 H ILE 528 8.703 -22.874 -44.387 2 HA ILE 528 HA ILE 528 11.173 -23.978 -44.952 3 HB ILE 528 HB ILE 528 12.051 -22.619 -43.127 4 HG12 ILE 528 HG12 ILE 528 9.152 -22.102 -42.394 5 HG13 ILE 528 HG13 ILE 528 10.191 -23.219 -41.512 6 HG22 ILE 528 HG21 ILE 528 11.101 -20.458 -43.854 7 HG21 ILE 528 HG22 ILE 528 9.747 -21.301 -44.602 8 HG23 ILE 528 HG23 ILE 528 11.379 -21.519 -45.234 9 HD12 ILE 528 HD11 ILE 528 9.955 -20.608 -40.854 10 HD11 ILE 528 HD12 ILE 528 11.301 -20.506 -41.988 11 HD13 ILE 528 HD13 ILE 528 11.423 -21.540 -40.564 No H/Q in entry = 11 In of MODEL 2 1 H SER 529 H SER 529 8.928 -25.225 -42.613 2 HA SER 529 HA SER 529 11.104 -26.557 -41.203 3 HB2 SER 529 HB2 SER 529 9.281 -25.601 -39.908 4 HB3 SER 529 HB3 SER 529 8.141 -26.668 -40.730 5 HG SER 529 HG SER 529 8.745 -28.192 -39.432 No H/Q in entry = 5 In of MODEL 2 1 H ILE 530 H ILE 530 9.241 -27.145 -43.868 2 HA ILE 530 HA ILE 530 8.471 -29.756 -43.418 3 HB ILE 530 HB ILE 530 7.399 -29.307 -45.255 4 HG12 ILE 530 HG12 ILE 530 8.607 -29.775 -47.361 5 HG13 ILE 530 HG13 ILE 530 10.108 -29.754 -46.463 6 HG21 ILE 530 HG21 ILE 530 9.494 -27.206 -45.599 7 HG23 ILE 530 HG22 ILE 530 7.763 -27.022 -45.319 8 HG22 ILE 530 HG23 ILE 530 8.352 -27.542 -46.899 9 HD11 ILE 530 HD11 ILE 530 8.446 -31.568 -45.121 10 HD13 ILE 530 HD12 ILE 530 9.853 -31.930 -46.125 11 HD12 ILE 530 HD13 ILE 530 8.240 -31.894 -46.842 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 531 HA PRO 531 12.466 -31.399 -45.347 2 HB2 PRO 531 HB2 PRO 531 14.401 -29.235 -44.716 3 HB3 PRO 531 HB3 PRO 531 14.329 -30.338 -46.110 4 HG2 PRO 531 HG2 PRO 531 13.546 -27.836 -46.444 5 HG3 PRO 531 HG3 PRO 531 12.548 -29.145 -47.118 6 HD2 PRO 531 HD2 PRO 531 12.164 -27.640 -44.540 7 HD3 PRO 531 HD3 PRO 531 10.986 -27.997 -45.832 No H/Q in entry = 7 In of MODEL 2 1 H ARG 532 H ARG 532 12.917 -29.335 -42.372 2 HA ARG 532 HA ARG 532 14.787 -31.087 -41.153 3 HB2 ARG 532 HB2 ARG 532 12.724 -29.340 -39.825 4 HB3 ARG 532 HB3 ARG 532 14.003 -30.190 -38.974 5 HG2 ARG 532 HG2 ARG 532 15.671 -28.926 -40.249 6 HG3 ARG 532 HG3 ARG 532 14.374 -28.063 -41.071 7 HD2 ARG 532 HD2 ARG 532 13.597 -27.134 -38.939 8 HD3 ARG 532 HD3 ARG 532 14.817 -28.057 -38.068 9 HE ARG 532 HE ARG 532 16.504 -26.635 -39.031 10 HH21 ARG 532 HH11 ARG 532 17.147 -24.533 -39.494 11 HH22 ARG 532 HH12 ARG 532 15.967 -23.344 -39.934 12 HH11 ARG 532 HH21 ARG 532 13.227 -25.551 -39.695 13 HH12 ARG 532 HH22 ARG 532 13.715 -23.926 -40.048 No H/Q in entry = 13 In of MODEL 2 1 H ILE 533 H ILE 533 11.289 -30.941 -41.029 2 HA ILE 533 HA ILE 533 11.073 -33.082 -39.209 3 HB ILE 533 HB ILE 533 9.075 -31.824 -41.057 4 HG12 ILE 533 HG12 ILE 533 10.111 -30.288 -39.451 5 HG13 ILE 533 HG13 ILE 533 8.392 -30.461 -39.218 6 HG23 ILE 533 HG21 ILE 533 8.155 -33.937 -40.606 7 HG22 ILE 533 HG22 ILE 533 7.361 -32.862 -39.455 8 HG21 ILE 533 HG23 ILE 533 8.671 -33.913 -38.918 9 HD11 ILE 533 HD11 ILE 533 8.866 -31.950 -37.287 10 HD13 ILE 533 HD12 ILE 533 9.481 -30.307 -37.092 11 HD12 ILE 533 HD13 ILE 533 10.584 -31.620 -37.509 No H/Q in entry = 11 In of MODEL 2 1 H LYS 534 H LYS 534 10.725 -32.836 -42.734 2 HA LYS 534 HA LYS 534 9.988 -35.465 -43.298 3 HB2 LYS 534 HB2 LYS 534 10.126 -34.576 -45.340 4 HB3 LYS 534 HB3 LYS 534 11.011 -33.199 -44.716 5 HG2 LYS 534 HG2 LYS 534 13.099 -34.455 -44.943 6 HG3 LYS 534 HG3 LYS 534 12.211 -35.829 -45.556 7 HD2 LYS 534 HD2 LYS 534 11.620 -34.558 -47.603 8 HD3 LYS 534 HD3 LYS 534 12.422 -33.123 -46.965 9 HE2 LYS 534 HE2 LYS 534 14.545 -34.253 -46.966 10 HE3 LYS 534 HE3 LYS 534 13.795 -35.768 -47.397 11 HZ1 LYS 534 HZ1 LYS 534 13.162 -34.058 -49.415 12 HZ3 LYS 534 HZ2 LYS 534 14.339 -35.284 -49.435 13 HZ2 LYS 534 HZ3 LYS 534 14.771 -33.690 -49.030 No H/Q in entry = 13 In of MODEL 2 1 H LYS 535 H LYS 535 13.234 -34.005 -42.828 2 HA LYS 535 HA LYS 535 14.782 -36.255 -43.247 3 HB2 LYS 535 HB2 LYS 535 15.696 -34.012 -43.007 4 HB3 LYS 535 HB3 LYS 535 15.318 -34.041 -41.293 5 HG2 LYS 535 HG2 LYS 535 16.865 -35.887 -40.957 6 HG3 LYS 535 HG3 LYS 535 17.203 -35.938 -42.688 7 HD2 LYS 535 HD2 LYS 535 18.980 -34.687 -41.774 8 HD3 LYS 535 HD3 LYS 535 17.892 -33.487 -42.464 9 HE2 LYS 535 HE2 LYS 535 17.074 -32.862 -40.350 10 HE3 LYS 535 HE3 LYS 535 17.742 -34.304 -39.575 11 HZ3 LYS 535 HZ1 LYS 535 19.541 -33.108 -39.160 12 HZ2 LYS 535 HZ2 LYS 535 18.996 -31.816 -40.122 13 HZ1 LYS 535 HZ3 LYS 535 19.862 -33.097 -40.826 No H/Q in entry = 13 In of MODEL 2 1 H ILE 536 H ILE 536 13.370 -35.118 -40.203 2 HA ILE 536 HA ILE 536 14.473 -37.156 -38.604 3 HB ILE 536 HB ILE 536 12.024 -35.456 -38.196 4 HG12 ILE 536 HG12 ILE 536 14.430 -34.516 -38.184 5 HG13 ILE 536 HG13 ILE 536 13.365 -34.116 -36.846 6 HG21 ILE 536 HG21 ILE 536 13.270 -37.570 -36.427 7 HG23 ILE 536 HG22 ILE 536 11.576 -37.385 -36.883 8 HG22 ILE 536 HG23 ILE 536 12.315 -36.243 -35.760 9 HD12 ILE 536 HD11 ILE 536 15.895 -34.996 -36.498 10 HD11 ILE 536 HD12 ILE 536 15.052 -36.544 -36.501 11 HD13 ILE 536 HD13 ILE 536 14.610 -35.305 -35.328 No H/Q in entry = 11 In of MODEL 2 1 H ILE 537 H ILE 537 11.591 -36.957 -40.556 2 HA ILE 537 HA ILE 537 10.411 -39.305 -39.459 3 HB ILE 537 HB ILE 537 8.649 -39.061 -40.979 4 HG12 ILE 537 HG12 ILE 537 9.176 -37.449 -43.056 5 HG13 ILE 537 HG13 ILE 537 10.804 -37.998 -42.763 6 HG22 ILE 537 HG21 ILE 537 9.149 -36.247 -41.286 7 HG21 ILE 537 HG22 ILE 537 9.695 -36.788 -39.700 8 HG23 ILE 537 HG23 ILE 537 8.028 -37.068 -40.202 9 HD12 ILE 537 HD11 ILE 537 8.428 -39.705 -43.468 10 HD11 ILE 537 HD12 ILE 537 10.046 -40.313 -43.119 11 HD13 ILE 537 HD13 ILE 537 9.776 -39.278 -44.520 No H/Q in entry = 11 In of MODEL 2 1 H ARG 538 H ARG 538 12.251 -38.579 -42.348 2 HA ARG 538 HA ARG 538 12.056 -41.150 -43.419 3 HB2 ARG 538 HB2 ARG 538 12.650 -39.103 -44.637 4 HB3 ARG 538 HB3 ARG 538 14.243 -39.171 -43.904 5 HG2 ARG 538 HG2 ARG 538 14.631 -41.345 -44.929 6 HG3 ARG 538 HG3 ARG 538 13.018 -41.303 -45.642 7 HD2 ARG 538 HD2 ARG 538 14.651 -40.601 -47.280 8 HD3 ARG 538 HD3 ARG 538 13.624 -39.241 -46.841 9 HE ARG 538 HE ARG 538 15.932 -39.243 -45.205 10 HH21 ARG 538 HH11 ARG 538 17.616 -37.772 -45.591 11 HH22 ARG 538 HH12 ARG 538 17.761 -37.023 -47.145 12 HH11 ARG 538 HH21 ARG 538 14.966 -38.611 -48.512 13 HH12 ARG 538 HH22 ARG 538 16.262 -37.498 -48.803 No H/Q in entry = 13 In of MODEL 2 1 H ASN 539 H ASN 539 13.903 -40.116 -40.781 2 HA ASN 539 HA ASN 539 15.794 -42.353 -41.027 3 HB2 ASN 539 HB2 ASN 539 17.345 -41.041 -39.689 4 HB3 ASN 539 HB3 ASN 539 16.838 -40.171 -41.130 5 HD21 ASN 539 HD21 ASN 539 17.257 -38.087 -40.281 6 HD22 ASN 539 HD22 ASN 539 16.347 -37.387 -39.030 No H/Q in entry = 6 In of MODEL 2 1 H THR 540 H THR 540 13.032 -41.964 -39.584 2 HA THR 540 HA THR 540 13.828 -43.036 -36.946 3 HB THR 540 HB THR 540 11.001 -42.473 -37.874 4 HG1 THR 540 HG1 THR 540 11.857 -40.490 -38.052 5 HG23 THR 540 HG21 THR 540 11.229 -43.736 -35.842 6 HG22 THR 540 HG22 THR 540 10.705 -42.099 -35.448 7 HG21 THR 540 HG23 THR 540 12.391 -42.571 -35.209 No H/Q in entry = 7 In of MODEL 2 1 H ASN 541 H ASN 541 12.759 -44.882 -36.265 2 HA ASN 541 HA ASN 541 11.638 -46.544 -38.383 3 HB2 ASN 541 HB2 ASN 541 13.278 -47.165 -36.023 4 HB3 ASN 541 HB3 ASN 541 11.847 -48.173 -36.195 5 HD21 ASN 541 HD21 ASN 541 14.869 -47.160 -37.692 6 HD22 ASN 541 HD22 ASN 541 14.967 -48.438 -38.802 No H/Q in entry = 6 In of MODEL 2 1 H PHE 542 H PHE 542 9.467 -46.720 -38.324 2 HA PHE 542 HA PHE 542 7.991 -45.055 -36.629 3 HB2 PHE 542 HB2 PHE 542 7.110 -45.539 -38.758 4 HB3 PHE 542 HB3 PHE 542 7.093 -47.261 -38.442 5 HD1 PHE 542 HD1 PHE 542 5.555 -44.027 -37.379 6 HD2 PHE 542 HD2 PHE 542 5.176 -48.315 -37.484 7 HE1 PHE 542 HE1 PHE 542 3.212 -43.842 -36.548 8 HE2 PHE 542 HE2 PHE 542 2.840 -48.147 -36.626 9 HZ PHE 542 HZ PHE 542 1.850 -45.902 -36.171 No H/Q in entry = 9 In of MODEL 2 1 H GLU 543 H GLU 543 8.486 -48.557 -36.414 2 HA GLU 543 HA GLU 543 6.585 -48.975 -34.400 3 HB2 GLU 543 HB2 GLU 543 7.911 -51.017 -33.839 4 HB3 GLU 543 HB3 GLU 543 7.459 -50.870 -35.532 5 HG2 GLU 543 HG2 GLU 543 9.694 -50.012 -36.062 6 HG3 GLU 543 HG3 GLU 543 10.146 -50.111 -34.373 No H/Q in entry = 6 In of MODEL 2 1 H ASP 544 H ASP 544 9.932 -48.002 -34.223 2 HA ASP 544 HA ASP 544 10.226 -48.237 -31.439 3 HB2 ASP 544 HB2 ASP 544 12.264 -47.000 -31.727 4 HB3 ASP 544 HB3 ASP 544 12.086 -48.149 -33.044 No H/Q in entry = 4 In of MODEL 2 1 H ALA 545 H ALA 545 9.380 -45.489 -33.458 2 HA ALA 545 HA ALA 545 8.977 -43.504 -31.574 3 HB1 ALA 545 HB1 ALA 545 7.572 -44.055 -34.149 4 HB2 ALA 545 HB2 ALA 545 9.018 -43.074 -33.909 5 HB3 ALA 545 HB3 ALA 545 7.473 -42.555 -33.231 No H/Q in entry = 5 In of MODEL 2 1 H LYS 546 H LYS 546 6.622 -45.988 -32.734 2 HA LYS 546 HA LYS 546 4.424 -45.057 -31.240 3 HB2 LYS 546 HB2 LYS 546 5.246 -47.725 -32.222 4 HB3 LYS 546 HB3 LYS 546 4.069 -47.683 -30.926 5 HG2 LYS 546 HG2 LYS 546 3.682 -46.031 -33.365 6 HG3 LYS 546 HG3 LYS 546 3.313 -47.747 -33.388 7 HD2 LYS 546 HD2 LYS 546 2.194 -45.970 -31.239 8 HD3 LYS 546 HD3 LYS 546 1.423 -46.069 -32.819 9 HE2 LYS 546 HE2 LYS 546 1.372 -48.588 -32.510 10 HE3 LYS 546 HE3 LYS 546 1.876 -48.317 -30.845 11 HZ2 LYS 546 HZ1 LYS 546 -0.661 -47.545 -32.156 12 HZ1 LYS 546 HZ2 LYS 546 -0.135 -46.749 -30.750 13 HZ3 LYS 546 HZ3 LYS 546 -0.431 -48.422 -30.723 No H/Q in entry = 13 In of MODEL 2 1 H VAL 547 H VAL 547 6.850 -47.499 -30.301 2 HA VAL 547 HA VAL 547 6.142 -47.762 -27.628 3 HB VAL 547 HB VAL 547 8.855 -47.959 -28.957 4 HG11 VAL 547 HG11 VAL 547 8.150 -48.417 -26.107 5 HG13 VAL 547 HG12 VAL 547 9.412 -47.390 -26.791 6 HG12 VAL 547 HG13 VAL 547 9.556 -49.146 -26.881 7 HG22 VAL 547 HG21 VAL 547 7.343 -49.729 -29.637 8 HG21 VAL 547 HG22 VAL 547 6.882 -50.052 -27.965 9 HG23 VAL 547 HG23 VAL 547 8.514 -50.430 -28.517 No H/Q in entry = 9 In of MODEL 2 1 H LEU 548 H LEU 548 8.209 -45.270 -29.124 2 HA LEU 548 HA LEU 548 9.032 -44.033 -26.738 3 HB2 LEU 548 HB2 LEU 548 10.071 -43.457 -28.821 4 HB3 LEU 548 HB3 LEU 548 8.544 -42.970 -29.510 5 HG LEU 548 HG LEU 548 8.510 -40.998 -28.029 6 HD13 LEU 548 HD11 LEU 548 10.432 -40.382 -26.724 7 HD12 LEU 548 HD12 LEU 548 11.304 -41.825 -27.246 8 HD11 LEU 548 HD13 LEU 548 9.903 -41.975 -26.183 9 HD21 LEU 548 HD21 LEU 548 11.030 -41.489 -29.567 10 HD23 LEU 548 HD22 LEU 548 10.368 -39.907 -29.153 11 HD22 LEU 548 HD23 LEU 548 9.480 -40.983 -30.234 No H/Q in entry = 11 In of MODEL 2 1 H ALA 549 H ALA 549 6.327 -43.394 -28.967 2 HA ALA 549 HA ALA 549 5.263 -41.191 -27.684 3 HB2 ALA 549 HB1 ALA 549 4.388 -41.545 -29.795 4 HB1 ALA 549 HB2 ALA 549 3.060 -42.097 -28.775 5 HB3 ALA 549 HB3 ALA 549 4.148 -43.270 -29.518 No H/Q in entry = 5 In of MODEL 2 1 H GLU 550 H GLU 550 4.401 -44.593 -27.417 2 HA GLU 550 HA GLU 550 2.394 -44.191 -25.589 3 HB2 GLU 550 HB2 GLU 550 2.893 -46.283 -26.741 4 HB3 GLU 550 HB3 GLU 550 4.272 -46.507 -25.664 5 HG2 GLU 550 HG2 GLU 550 2.775 -46.331 -23.761 6 HG3 GLU 550 HG3 GLU 550 1.416 -46.194 -24.866 No H/Q in entry = 6 In of MODEL 2 1 H GLN 551 H GLN 551 5.865 -44.854 -24.864 2 HA GLN 551 HA GLN 551 5.671 -44.712 -22.115 3 HB2 GLN 551 HB2 GLN 551 7.890 -43.644 -23.841 4 HB3 GLN 551 HB3 GLN 551 8.000 -43.970 -22.116 5 HG2 GLN 551 HG2 GLN 551 7.140 -46.329 -22.869 6 HG3 GLN 551 HG3 GLN 551 7.844 -45.838 -24.402 7 HE21 GLN 551 HE21 GLN 551 8.449 -47.175 -21.332 8 HE22 GLN 551 HE22 GLN 551 10.145 -47.130 -21.369 No H/Q in entry = 8 In of MODEL 2 1 H ALA 552 H ALA 552 6.221 -42.018 -24.398 2 HA ALA 552 HA ALA 552 6.548 -40.035 -22.537 3 HB3 ALA 552 HB1 ALA 552 6.220 -38.485 -24.261 4 HB1 ALA 552 HB2 ALA 552 5.186 -39.595 -25.162 5 HB2 ALA 552 HB3 ALA 552 6.914 -39.919 -25.015 No H/Q in entry = 5 In of MODEL 2 1 H LEU 553 H LEU 553 3.578 -41.294 -23.914 2 HA LEU 553 HA LEU 553 1.884 -39.319 -22.835 3 HB2 LEU 553 HB2 LEU 553 1.297 -42.030 -23.936 4 HB3 LEU 553 HB3 LEU 553 0.043 -41.022 -23.245 5 HG LEU 553 HG LEU 553 1.858 -40.092 -25.447 6 HD11 LEU 553 HD11 LEU 553 -0.201 -42.092 -25.722 7 HD13 LEU 553 HD12 LEU 553 0.919 -41.464 -26.931 8 HD12 LEU 553 HD13 LEU 553 -0.626 -40.658 -26.659 9 HD21 LEU 553 HD21 LEU 553 -0.643 -38.991 -24.247 10 HD23 LEU 553 HD22 LEU 553 -0.271 -38.654 -25.938 11 HD22 LEU 553 HD23 LEU 553 0.863 -38.177 -24.674 No H/Q in entry = 11 In of MODEL 2 1 H ALA 554 H ALA 554 3.460 -41.792 -21.190 2 HA ALA 554 HA ALA 554 1.375 -41.864 -19.142 3 HB2 ALA 554 HB1 ALA 554 2.628 -43.731 -18.142 4 HB1 ALA 554 HB2 ALA 554 3.909 -43.530 -19.337 5 HB3 ALA 554 HB3 ALA 554 2.302 -44.048 -19.848 No H/Q in entry = 5 In of MODEL 2 1 H GLN 555 H GLN 555 4.277 -40.221 -19.789 2 HA GLN 555 HA GLN 555 5.313 -39.909 -17.184 3 HB2 GLN 555 HB2 GLN 555 5.530 -38.164 -19.614 4 HB3 GLN 555 HB3 GLN 555 6.500 -37.998 -18.167 5 HG2 GLN 555 HG2 GLN 555 6.658 -40.007 -20.352 6 HG3 GLN 555 HG3 GLN 555 7.944 -39.172 -19.500 7 HE21 GLN 555 HE21 GLN 555 8.289 -39.907 -17.162 8 HE22 GLN 555 HE22 GLN 555 8.112 -41.558 -16.811 No H/Q in entry = 8 In of MODEL 2 1 HA PRO 556 HA PRO 556 2.342 -36.851 -15.898 2 HB2 PRO 556 HB2 PRO 556 3.065 -36.442 -13.346 3 HB3 PRO 556 HB3 PRO 556 2.408 -38.025 -13.834 4 HG2 PRO 556 HG2 PRO 556 5.351 -37.246 -13.520 5 HG3 PRO 556 HG3 PRO 556 4.520 -38.680 -12.870 6 HD2 PRO 556 HD2 PRO 556 5.922 -38.750 -15.218 7 HD3 PRO 556 HD3 PRO 556 4.496 -39.768 -14.925 No H/Q in entry = 7 In of MODEL 2 1 H THR 557 H THR 557 5.501 -36.357 -16.665 2 HA THR 557 HA THR 557 5.384 -33.499 -16.079 3 HB THR 557 HB THR 557 6.832 -35.444 -14.558 4 HG1 THR 557 HG1 THR 557 6.379 -32.696 -14.518 5 HG23 THR 557 HG21 THR 557 9.056 -34.773 -14.544 6 HG22 THR 557 HG22 THR 557 8.730 -33.351 -15.536 7 HG21 THR 557 HG23 THR 557 8.666 -34.962 -16.253 No H/Q in entry = 7 In of MODEL 2 1 H THR 558 H THR 558 6.377 -32.222 -17.547 2 HA THR 558 HA THR 558 6.838 -33.141 -20.158 3 HB THR 558 HB THR 558 7.505 -30.545 -18.735 4 HG1 THR 558 HG1 THR 558 5.935 -30.624 -20.998 5 HG22 THR 558 HG21 THR 558 7.751 -29.848 -21.310 6 HG21 THR 558 HG22 THR 558 8.426 -31.476 -21.382 7 HG23 THR 558 HG23 THR 558 9.126 -30.276 -20.294 No H/Q in entry = 7 In of MODEL 2 1 H ASP 559 H ASP 559 9.158 -32.111 -17.639 2 HA ASP 559 HA ASP 559 11.435 -32.533 -19.078 3 HB2 ASP 559 HB2 ASP 559 10.972 -32.996 -16.157 4 HB3 ASP 559 HB3 ASP 559 12.556 -33.059 -16.916 No H/Q in entry = 4 In of MODEL 2 1 H GLU 560 H GLU 560 9.627 -34.938 -17.274 2 HA GLU 560 HA GLU 560 11.379 -37.085 -17.668 3 HB2 GLU 560 HB2 GLU 560 8.485 -36.845 -17.015 4 HB3 GLU 560 HB3 GLU 560 9.183 -38.423 -17.352 5 HG2 GLU 560 HG2 GLU 560 10.684 -38.244 -15.567 6 HG3 GLU 560 HG3 GLU 560 10.362 -36.526 -15.371 No H/Q in entry = 6 In of MODEL 2 1 H LEU 561 H LEU 561 8.786 -35.835 -19.613 2 HA LEU 561 HA LEU 561 8.810 -37.980 -21.515 3 HB2 LEU 561 HB2 LEU 561 6.826 -37.190 -21.410 4 HB3 LEU 561 HB3 LEU 561 7.319 -35.727 -20.706 5 HG LEU 561 HG LEU 561 6.297 -36.326 -23.427 6 HD12 LEU 561 HD11 LEU 561 4.783 -34.584 -22.609 7 HD11 LEU 561 HD12 LEU 561 5.751 -34.455 -21.139 8 HD13 LEU 561 HD13 LEU 561 4.881 -35.948 -21.498 9 HD23 LEU 561 HD21 LEU 561 6.710 -33.965 -23.929 10 HD22 LEU 561 HD22 LEU 561 8.216 -34.871 -23.766 11 HD21 LEU 561 HD23 LEU 561 7.662 -33.830 -22.453 No H/Q in entry = 11 In of MODEL 2 1 HA MET 562 HA MET 562 11.459 -34.754 -23.875 2 HB2 MET 562 HB2 MET 562 11.380 -32.766 -22.432 3 HG2 MET 562 HG2 MET 562 13.809 -32.038 -22.774 4 HE1 MET 562 HE1 MET 562 12.115 -30.259 -23.428 5 HE3 MET 562 HE2 MET 562 11.877 -29.756 -25.097 6 HE2 MET 562 HE3 MET 562 13.511 -29.896 -24.460 7 H MET 562 HN MET 562 10.363 -34.789 -21.245 8 HB3 MET 562 HB1 MET 562 12.582 -33.502 -21.386 9 HG3 MET 562 HG1 MET 562 14.072 -33.633 -23.481 No H/Q in entry = 9 In of MODEL 2 1 H THR 563 H THR 563 12.464 -36.230 -20.830 2 HA THR 563 HA THR 563 15.058 -36.919 -21.597 3 HB THR 563 HB THR 563 13.141 -38.245 -19.708 4 HG1 THR 563 HG1 THR 563 14.576 -36.081 -19.625 5 HG21 THR 563 HG21 THR 563 15.985 -38.946 -20.413 6 HG23 THR 563 HG22 THR 563 14.604 -40.024 -20.208 7 HG22 THR 563 HG23 THR 563 15.342 -39.259 -18.801 No H/Q in entry = 7 In of MODEL 2 1 H LEU 564 H LEU 564 12.064 -38.801 -21.949 2 HA LEU 564 HA LEU 564 13.055 -41.123 -23.096 3 HB2 LEU 564 HB2 LEU 564 10.512 -39.644 -23.543 4 HB3 LEU 564 HB3 LEU 564 10.870 -41.109 -24.389 5 HG LEU 564 HG LEU 564 9.313 -41.619 -22.730 6 HD12 LEU 564 HD11 LEU 564 11.934 -42.359 -21.455 7 HD11 LEU 564 HD12 LEU 564 11.159 -43.258 -22.760 8 HD13 LEU 564 HD13 LEU 564 10.370 -43.126 -21.188 9 HD22 LEU 564 HD21 LEU 564 9.520 -39.641 -21.507 10 HD21 LEU 564 HD22 LEU 564 11.112 -40.123 -20.919 11 HD23 LEU 564 HD23 LEU 564 9.674 -41.016 -20.420 No H/Q in entry = 11 In of MODEL 2 1 H VAL 565 H VAL 565 11.717 -38.306 -24.749 2 HA VAL 565 HA VAL 565 12.327 -38.880 -27.378 3 HB VAL 565 HB VAL 565 12.437 -36.218 -25.972 4 HG13 VAL 565 HG11 VAL 565 13.604 -35.846 -27.973 5 HG12 VAL 565 HG12 VAL 565 11.959 -35.296 -28.296 6 HG11 VAL 565 HG13 VAL 565 12.503 -36.858 -28.909 7 HG21 VAL 565 HG21 VAL 565 10.203 -37.824 -27.186 8 HG23 VAL 565 HG22 VAL 565 10.110 -36.063 -27.223 9 HG22 VAL 565 HG23 VAL 565 10.235 -36.906 -25.679 No H/Q in entry = 9 In of MODEL 2 1 H ASN 566 H ASN 566 14.498 -37.209 -25.051 2 HA ASN 566 HA ASN 566 16.618 -37.006 -26.879 3 HB2 ASN 566 HB2 ASN 566 16.654 -36.960 -23.887 4 HB3 ASN 566 HB3 ASN 566 18.049 -36.617 -24.899 5 HD21 ASN 566 HD21 ASN 566 16.749 -34.848 -23.046 6 HD22 ASN 566 HD22 ASN 566 16.191 -33.503 -23.919 No H/Q in entry = 6 In of MODEL 2 1 H LYS 567 H LYS 567 16.131 -39.565 -24.389 2 HA LYS 567 HA LYS 567 18.564 -40.862 -24.979 3 HB2 LYS 567 HB2 LYS 567 16.180 -41.492 -23.451 4 HB3 LYS 567 HB3 LYS 567 16.820 -42.904 -24.272 5 HG2 LYS 567 HG2 LYS 567 18.715 -42.947 -23.002 6 HG3 LYS 567 HG3 LYS 567 18.763 -41.194 -22.818 7 HD2 LYS 567 HD2 LYS 567 16.443 -41.784 -21.484 8 HD3 LYS 567 HD3 LYS 567 17.382 -43.232 -21.154 9 HE2 LYS 567 HE2 LYS 567 19.246 -41.753 -20.310 10 HE3 LYS 567 HE3 LYS 567 18.189 -40.368 -20.522 11 HZ3 LYS 567 HZ1 LYS 567 16.854 -41.012 -18.775 12 HZ2 LYS 567 HZ2 LYS 567 18.388 -41.487 -18.221 13 HZ1 LYS 567 HZ3 LYS 567 17.318 -42.641 -18.860 No H/Q in entry = 13 In of MODEL 2 1 H PHE 568 H PHE 568 15.481 -40.849 -26.543 2 HA PHE 568 HA PHE 568 15.816 -43.092 -28.231 3 HB2 PHE 568 HB2 PHE 568 13.731 -41.768 -27.756 4 HB3 PHE 568 HB3 PHE 568 14.372 -40.521 -28.808 5 HD1 PHE 568 HD1 PHE 568 12.539 -43.567 -28.611 6 HD2 PHE 568 HD2 PHE 568 14.901 -41.169 -31.217 7 HE1 PHE 568 HE1 PHE 568 11.536 -44.705 -30.576 8 HE2 PHE 568 HE2 PHE 568 13.913 -42.287 -33.174 9 HZ PHE 568 HZ PHE 568 12.225 -44.060 -32.875 No H/Q in entry = 9 In of MODEL 2 1 H ILE 569 H ILE 569 16.240 -39.617 -28.896 2 HA ILE 569 HA ILE 569 17.343 -39.808 -31.397 3 HB ILE 569 HB ILE 569 17.400 -37.778 -29.239 4 HG12 ILE 569 HG12 ILE 569 16.582 -37.478 -32.120 5 HG13 ILE 569 HG13 ILE 569 15.529 -38.236 -30.942 6 HG21 ILE 569 HG21 ILE 569 19.185 -37.776 -31.624 7 HG23 ILE 569 HG22 ILE 569 19.581 -37.482 -29.930 8 HG22 ILE 569 HG23 ILE 569 18.661 -36.285 -30.843 9 HD11 ILE 569 HD11 ILE 569 16.647 -35.453 -30.521 10 HD13 ILE 569 HD12 ILE 569 15.271 -36.207 -29.716 11 HD12 ILE 569 HD13 ILE 569 15.150 -35.736 -31.411 No H/Q in entry = 11 In of MODEL 2 1 H GLU 570 H GLU 570 18.955 -40.042 -28.307 2 HA GLU 570 HA GLU 570 21.666 -40.092 -29.120 3 HB2 GLU 570 HB2 GLU 570 20.174 -41.351 -26.839 4 HB3 GLU 570 HB3 GLU 570 21.885 -41.604 -27.066 5 HG2 GLU 570 HG2 GLU 570 21.912 -38.979 -27.044 6 HG3 GLU 570 HG3 GLU 570 20.408 -39.218 -26.155 No H/Q in entry = 6 In of MODEL 2 1 H GLU 571 H GLU 571 19.446 -42.739 -28.365 2 HA GLU 571 HA GLU 571 21.365 -44.662 -29.129 3 HB2 GLU 571 HB2 GLU 571 18.497 -45.142 -28.395 4 HB3 GLU 571 HB3 GLU 571 19.850 -46.254 -28.252 5 HG2 GLU 571 HG2 GLU 571 20.886 -44.575 -26.639 6 HG3 GLU 571 HG3 GLU 571 19.347 -43.740 -26.650 No H/Q in entry = 6 In of MODEL 2 1 H LYS 572 H LYS 572 18.780 -43.166 -30.832 2 HA LYS 572 HA LYS 572 18.575 -45.438 -32.626 3 HB2 LYS 572 HB2 LYS 572 16.542 -43.282 -32.227 4 HB3 LYS 572 HB3 LYS 572 16.342 -44.754 -33.145 5 HG2 LYS 572 HG2 LYS 572 17.034 -45.020 -30.255 6 HG3 LYS 572 HG3 LYS 572 15.417 -44.461 -30.657 7 HD2 LYS 572 HD2 LYS 572 15.404 -46.500 -32.278 8 HD3 LYS 572 HD3 LYS 572 16.723 -47.083 -31.273 9 HE2 LYS 572 HE2 LYS 572 13.985 -46.300 -30.277 10 HE3 LYS 572 HE3 LYS 572 14.519 -47.944 -30.567 11 HZ2 LYS 572 HZ1 LYS 572 14.662 -46.644 -28.215 12 HZ1 LYS 572 HZ2 LYS 572 16.243 -46.454 -28.808 13 HZ3 LYS 572 HZ3 LYS 572 15.581 -48.009 -28.628 No H/Q in entry = 13 In of MODEL 2 1 H THR 573 H THR 573 19.838 -42.304 -32.972 2 HA THR 573 HA THR 573 20.672 -43.027 -35.535 3 HB THR 573 HB THR 573 18.999 -40.524 -35.767 4 HG1 THR 573 HG1 THR 573 17.980 -42.592 -37.157 5 HG21 THR 573 HG21 THR 573 20.938 -40.875 -37.354 6 HG23 THR 573 HG22 THR 573 19.374 -40.733 -38.157 7 HG22 THR 573 HG23 THR 573 20.121 -42.319 -37.955 No H/Q in entry = 7 In of MODEL 2 1 H1 MET 601 H3 MET 601 -21.378 17.915 -9.092 2 H2 MET 601 H2 MET 601 -22.362 19.107 -8.386 3 H3 MET 601 H1 MET 601 -21.145 18.356 -7.472 4 HA MET 601 HA MET 601 -23.168 17.384 -6.794 5 HB2 MET 601 HB2 MET 601 -24.371 18.163 -8.896 6 HB3 MET 601 HB3 MET 601 -23.691 16.762 -9.718 7 HG2 MET 601 HG2 MET 601 -25.076 15.269 -8.610 8 HG3 MET 601 HG3 MET 601 -25.112 16.224 -7.133 9 HE1 MET 601 HE1 MET 601 -27.306 14.710 -9.199 10 HE3 MET 601 HE2 MET 601 -26.704 15.556 -10.620 11 HE2 MET 601 HE3 MET 601 -28.354 15.840 -10.070 No H/Q in entry = 11 In of MODEL 2 1 H PHE 602 H PHE 602 -23.580 14.970 -6.749 2 HA PHE 602 HA PHE 602 -21.516 13.305 -8.059 3 HB2 PHE 602 HB2 PHE 602 -20.496 14.284 -5.924 4 HB3 PHE 602 HB3 PHE 602 -21.672 13.318 -5.035 5 HD1 PHE 602 HD1 PHE 602 -18.687 13.226 -7.198 6 HD2 PHE 602 HD2 PHE 602 -21.558 10.878 -5.020 7 HE1 PHE 602 HE1 PHE 602 -17.227 11.224 -7.428 8 HE2 PHE 602 HE2 PHE 602 -20.102 8.875 -5.252 9 HZ PHE 602 HZ PHE 602 -17.935 9.050 -6.460 No H/Q in entry = 9 In of MODEL 2 1 H GLN 603 H GLN 603 -22.061 11.042 -7.987 2 HA GLN 603 HA GLN 603 -24.548 10.291 -6.557 3 HB2 GLN 603 HB2 GLN 603 -25.571 9.442 -8.666 4 HB3 GLN 603 HB3 GLN 603 -25.368 11.193 -8.670 5 HG2 GLN 603 HG2 GLN 603 -23.234 10.919 -9.926 6 HG3 GLN 603 HG3 GLN 603 -23.526 9.177 -9.989 7 HE21 GLN 603 HE21 GLN 603 -23.668 9.323 -12.382 8 HE22 GLN 603 HE22 GLN 603 -25.069 9.941 -13.114 No H/Q in entry = 8 In of MODEL 2 1 H GLN 604 H GLN 604 -24.959 7.961 -6.627 2 HA GLN 604 HA GLN 604 -22.820 6.214 -7.639 3 HB2 GLN 604 HB2 GLN 604 -21.973 6.987 -5.439 4 HB3 GLN 604 HB3 GLN 604 -23.432 6.365 -4.677 5 HG2 GLN 604 HG2 GLN 604 -22.583 4.250 -4.615 6 HG3 GLN 604 HG3 GLN 604 -22.241 4.280 -6.340 7 HE21 GLN 604 HE21 GLN 604 -20.152 3.223 -6.039 8 HE22 GLN 604 HE22 GLN 604 -18.839 4.044 -5.348 No H/Q in entry = 8 In of MODEL 2 1 H GLU 605 H GLU 605 -23.514 3.992 -7.716 2 HA GLU 605 HA GLU 605 -26.431 3.588 -7.287 3 HB2 GLU 605 HB2 GLU 605 -24.500 2.116 -9.094 4 HB3 GLU 605 HB3 GLU 605 -26.220 1.764 -8.935 5 HG2 GLU 605 HG2 GLU 605 -26.844 3.853 -9.885 6 HG3 GLU 605 HG3 GLU 605 -25.205 4.497 -9.734 No H/Q in entry = 6 In of MODEL 2 1 H VAL 606 H VAL 606 -27.054 2.100 -5.790 2 HA VAL 606 HA VAL 606 -25.010 0.063 -4.906 3 HB VAL 606 HB VAL 606 -26.865 1.254 -2.896 4 HG12 VAL 606 HG11 VAL 606 -24.923 0.846 -1.417 5 HG11 VAL 606 HG12 VAL 606 -24.003 0.268 -2.802 6 HG13 VAL 606 HG13 VAL 606 -25.422 -0.621 -2.260 7 HG23 VAL 606 HG21 VAL 606 -24.298 2.567 -3.834 8 HG22 VAL 606 HG22 VAL 606 -25.262 3.071 -2.447 9 HG21 VAL 606 HG23 VAL 606 -25.922 3.204 -4.076 No H/Q in entry = 9 In of MODEL 2 1 H THR 607 H THR 607 -25.684 -1.899 -5.136 2 HA THR 607 HA THR 607 -28.454 -2.613 -5.613 3 HB THR 607 HB THR 607 -26.987 -3.981 -6.793 4 HG1 THR 607 HG1 THR 607 -26.969 -5.725 -4.679 5 HG22 THR 607 HG21 THR 607 -25.013 -5.091 -5.572 6 HG21 THR 607 HG22 THR 607 -25.334 -3.953 -4.266 7 HG23 THR 607 HG23 THR 607 -24.888 -3.358 -5.863 No H/Q in entry = 7 In of MODEL 2 1 H ILE 608 H ILE 608 -29.782 -2.439 -3.925 2 HA ILE 608 HA ILE 608 -29.242 -2.739 -1.201 3 HB ILE 608 HB ILE 608 -31.836 -3.398 -2.625 4 HG12 ILE 608 HG12 ILE 608 -30.845 -0.825 -1.345 5 HG13 ILE 608 HG13 ILE 608 -30.796 -1.150 -3.074 6 HG21 ILE 608 HG21 ILE 608 -31.116 -2.972 0.302 7 HG23 ILE 608 HG22 ILE 608 -32.161 -4.210 -0.392 8 HG22 ILE 608 HG23 ILE 608 -32.727 -2.554 -0.271 9 HD12 ILE 608 HD11 ILE 608 -33.163 -0.626 -1.315 10 HD11 ILE 608 HD12 ILE 608 -33.386 -1.674 -2.719 11 HD13 ILE 608 HD13 ILE 608 -32.818 -0.019 -2.930 No H/Q in entry = 11 In of MODEL 2 1 H THR 609 H THR 609 -28.571 -4.337 -0.025 2 HA THR 609 HA THR 609 -28.978 -7.145 -0.943 3 HB THR 609 HB THR 609 -27.005 -7.691 0.434 4 HG1 THR 609 HG1 THR 609 -27.124 -6.144 2.012 5 HG23 THR 609 HG21 THR 609 -25.432 -6.862 -1.076 6 HG22 THR 609 HG22 THR 609 -26.219 -5.289 -1.185 7 HG21 THR 609 HG23 THR 609 -26.927 -6.686 -1.994 No H/Q in entry = 7 In of MODEL 2 1 H ALA 610 H ALA 610 -30.757 -5.335 0.809 2 HA ALA 610 HA ALA 610 -30.678 -6.626 3.424 3 HB3 ALA 610 HB1 ALA 610 -33.101 -5.541 3.469 4 HB2 ALA 610 HB2 ALA 610 -32.501 -4.672 2.056 5 HB1 ALA 610 HB3 ALA 610 -31.663 -4.528 3.602 No H/Q in entry = 5 In of MODEL 2 1 HA PRO 611 HA PRO 611 -32.599 -10.336 1.648 2 HB2 PRO 611 HB2 PRO 611 -33.206 -10.985 4.487 3 HB3 PRO 611 HB3 PRO 611 -32.373 -11.956 3.259 4 HG2 PRO 611 HG2 PRO 611 -31.052 -10.773 5.264 5 HG3 PRO 611 HG3 PRO 611 -30.345 -10.959 3.651 6 HD2 PRO 611 HD2 PRO 611 -31.439 -8.506 4.957 7 HD3 PRO 611 HD3 PRO 611 -30.117 -8.664 3.778 No H/Q in entry = 7 In of MODEL 2 1 H ASN 612 H ASN 612 -34.130 -7.954 3.604 2 HA ASN 612 HA ASN 612 -36.829 -9.033 2.852 3 HB2 ASN 612 HB2 ASN 612 -36.878 -7.091 5.025 4 HB3 ASN 612 HB3 ASN 612 -37.530 -8.726 4.978 5 HD21 ASN 612 HD21 ASN 612 -34.762 -6.796 5.978 6 HD22 ASN 612 HD22 ASN 612 -33.934 -8.053 6.756 No H/Q in entry = 6 In of MODEL 2 1 H GLY 613 H GLY 613 -34.706 -6.935 1.765 2 HA3 GLY 613 HA2 GLY 613 -34.981 -5.047 0.364 3 HA2 GLY 613 HA3 GLY 613 -36.725 -5.176 0.613 No H/Q in entry = 3 In of MODEL 2 1 H LEU 614 H LEU 614 -35.901 -2.651 0.677 2 HA LEU 614 HA LEU 614 -35.043 -1.829 3.351 3 HB2 LEU 614 HB2 LEU 614 -34.822 -0.749 0.839 4 HB3 LEU 614 HB3 LEU 614 -36.215 0.138 1.444 5 HG LEU 614 HG LEU 614 -33.684 -0.102 3.096 6 HD11 LEU 614 HD11 LEU 614 -34.371 1.976 0.996 7 HD13 LEU 614 HD12 LEU 614 -32.992 0.886 0.984 8 HD12 LEU 614 HD13 LEU 614 -33.094 2.161 2.199 9 HD23 LEU 614 HD21 LEU 614 -35.781 2.081 3.007 10 HD22 LEU 614 HD22 LEU 614 -34.567 1.804 4.254 11 HD21 LEU 614 HD23 LEU 614 -35.914 0.681 4.070 No H/Q in entry = 11 In of MODEL 2 1 H HIS 615 H HIS 615 -36.838 -2.662 4.672 2 HA HIS 615 HA HIS 615 -39.538 -1.573 4.034 3 HB2 HIS 615 HB2 HIS 615 -38.674 -3.675 6.000 4 HB3 HIS 615 HB3 HIS 615 -40.258 -2.928 6.104 5 HD1 HIS 615 HD1 HIS 615 -38.636 -3.701 2.788 6 HD2 HIS 615 HD2 HIS 615 -41.595 -5.295 5.266 7 HE1 HIS 615 HE1 HIS 615 -39.741 -5.567 1.482 8 HE2 HIS 615 HE2 HIS 615 -41.535 -6.554 2.983 No H/Q in entry = 8 In of MODEL 2 1 H THR 616 H THR 616 -40.562 -1.316 6.664 2 HA THR 616 HA THR 616 -40.033 1.410 7.106 3 HB THR 616 HB THR 616 -41.008 -0.511 9.232 4 HG1 THR 616 HG1 THR 616 -42.500 -0.910 7.820 5 HG23 THR 616 HG21 THR 616 -42.226 1.413 10.048 6 HG22 THR 616 HG22 THR 616 -41.743 2.372 8.646 7 HG21 THR 616 HG23 THR 616 -40.543 1.895 9.844 No H/Q in entry = 7 In of MODEL 2 1 H ARG 617 H ARG 617 -38.569 -1.374 8.849 2 HA ARG 617 HA ARG 617 -37.266 0.239 10.765 3 HB2 ARG 617 HB2 ARG 617 -37.271 -2.004 11.346 4 HB3 ARG 617 HB3 ARG 617 -36.838 -2.536 9.751 5 HG2 ARG 617 HG2 ARG 617 -35.006 -2.901 11.359 6 HG3 ARG 617 HG3 ARG 617 -34.503 -1.786 10.103 7 HD2 ARG 617 HD2 ARG 617 -35.247 0.074 11.756 8 HD3 ARG 617 HD3 ARG 617 -35.235 -1.183 12.972 9 HE ARG 617 HE ARG 617 -32.965 0.226 11.956 10 HH21 ARG 617 HH11 ARG 617 -30.874 -0.550 12.095 11 HH22 ARG 617 HH12 ARG 617 -30.602 -2.226 12.442 12 HH11 ARG 617 HH21 ARG 617 -33.964 -2.995 12.691 13 HH12 ARG 617 HH22 ARG 617 -32.349 -3.605 12.771 No H/Q in entry = 13 In of MODEL 2 1 HA PRO 618 HA PRO 618 -33.281 0.400 8.137 2 HB2 PRO 618 HB2 PRO 618 -34.175 -0.195 5.381 3 HB3 PRO 618 HB3 PRO 618 -32.775 -0.815 6.257 4 HG2 PRO 618 HG2 PRO 618 -34.949 -2.340 5.703 5 HG3 PRO 618 HG3 PRO 618 -33.950 -2.603 7.138 6 HD2 PRO 618 HD2 PRO 618 -36.683 -1.376 6.943 7 HD3 PRO 618 HD3 PRO 618 -35.915 -2.309 8.256 No H/Q in entry = 7 In of MODEL 2 1 H ALA 619 H ALA 619 -36.351 1.298 6.605 2 HA ALA 619 HA ALA 619 -35.431 3.633 5.249 3 HB3 ALA 619 HB1 ALA 619 -37.787 4.397 5.391 4 HB1 ALA 619 HB2 ALA 619 -38.123 3.122 6.564 5 HB2 ALA 619 HB3 ALA 619 -37.692 2.702 4.904 No H/Q in entry = 5 In of MODEL 2 1 H ALA 620 H ALA 620 -36.854 3.258 8.499 2 HA ALA 620 HA ALA 620 -36.639 5.930 9.364 3 HB3 ALA 620 HB1 ALA 620 -37.651 3.972 10.654 4 HB1 ALA 620 HB2 ALA 620 -36.665 5.072 11.624 5 HB2 ALA 620 HB3 ALA 620 -36.004 3.526 11.103 No H/Q in entry = 5 In of MODEL 2 1 H GLN 621 H GLN 621 -34.141 3.395 9.369 2 HA GLN 621 HA GLN 621 -32.195 5.156 10.600 3 HB2 GLN 621 HB2 GLN 621 -32.105 2.623 10.698 4 HB3 GLN 621 HB3 GLN 621 -31.686 2.612 8.990 5 HG2 GLN 621 HG2 GLN 621 -29.591 2.492 10.080 6 HG3 GLN 621 HG3 GLN 621 -29.739 4.202 9.673 7 HE21 GLN 621 HE21 GLN 621 -30.748 2.035 12.395 8 HE22 GLN 621 HE22 GLN 621 -30.318 3.139 13.609 No H/Q in entry = 8 In of MODEL 2 1 H PHE 622 H PHE 622 -32.988 4.186 7.285 2 HA PHE 622 HA PHE 622 -30.813 5.500 5.987 3 HB2 PHE 622 HB2 PHE 622 -32.348 3.923 4.836 4 HB3 PHE 622 HB3 PHE 622 -33.634 5.127 4.928 5 HD1 PHE 622 HD1 PHE 622 -30.255 4.417 3.515 6 HD2 PHE 622 HD2 PHE 622 -33.713 6.990 3.407 7 HE1 PHE 622 HE1 PHE 622 -29.411 5.469 1.422 8 HE2 PHE 622 HE2 PHE 622 -32.861 8.040 1.316 9 HZ PHE 622 HZ PHE 622 -30.714 7.279 0.326 No H/Q in entry = 9 In of MODEL 2 1 H VAL 623 H VAL 623 -34.152 6.763 6.630 2 HA VAL 623 HA VAL 623 -33.520 9.360 5.603 3 HB VAL 623 HB VAL 623 -35.672 8.511 7.573 4 HG12 VAL 623 HG11 VAL 623 -36.441 10.758 5.912 5 HG11 VAL 623 HG12 VAL 623 -34.910 11.146 6.679 6 HG13 VAL 623 HG13 VAL 623 -36.294 10.699 7.666 7 HG23 VAL 623 HG21 VAL 623 -37.096 8.535 5.489 8 HG22 VAL 623 HG22 VAL 623 -35.860 7.276 5.500 9 HG21 VAL 623 HG23 VAL 623 -35.621 8.740 4.543 No H/Q in entry = 9 In of MODEL 2 1 H LYS 624 H LYS 624 -33.055 7.870 8.716 2 HA LYS 624 HA LYS 624 -32.714 10.235 10.302 3 HB2 LYS 624 HB2 LYS 624 -32.829 7.849 11.171 4 HB3 LYS 624 HB3 LYS 624 -31.149 7.665 10.668 5 HG2 LYS 624 HG2 LYS 624 -30.707 9.812 12.054 6 HG3 LYS 624 HG3 LYS 624 -32.290 9.504 12.769 7 HD2 LYS 624 HD2 LYS 624 -29.869 7.680 12.825 8 HD3 LYS 624 HD3 LYS 624 -30.644 8.470 14.197 9 HE2 LYS 624 HE2 LYS 624 -32.777 7.144 13.389 10 HE3 LYS 624 HE3 LYS 624 -31.591 6.117 12.593 11 HZ3 LYS 624 HZ1 LYS 624 -30.881 5.293 14.530 12 HZ2 LYS 624 HZ2 LYS 624 -32.363 5.857 15.148 13 HZ1 LYS 624 HZ3 LYS 624 -30.956 6.792 15.326 No H/Q in entry = 13 In of MODEL 2 1 H GLU 625 H GLU 625 -30.350 8.334 8.430 2 HA GLU 625 HA GLU 625 -28.073 9.928 9.092 3 HB2 GLU 625 HB2 GLU 625 -28.043 7.637 8.000 4 HB3 GLU 625 HB3 GLU 625 -28.509 8.425 6.494 5 HG2 GLU 625 HG2 GLU 625 -26.169 8.352 6.319 6 HG3 GLU 625 HG3 GLU 625 -26.446 9.975 6.947 No H/Q in entry = 6 In of MODEL 2 1 H ALA 626 H ALA 626 -30.267 10.079 6.252 2 HA ALA 626 HA ALA 626 -28.949 12.217 4.952 3 HB1 ALA 626 HB1 ALA 626 -31.897 11.531 4.934 4 HB2 ALA 626 HB2 ALA 626 -30.672 10.847 3.865 5 HB3 ALA 626 HB3 ALA 626 -31.079 12.561 3.759 No H/Q in entry = 5 In of MODEL 2 1 H LYS 627 H LYS 627 -31.824 12.451 7.110 2 HA LYS 627 HA LYS 627 -32.028 15.261 7.044 3 HB2 LYS 627 HB2 LYS 627 -32.680 13.295 9.245 4 HB3 LYS 627 HB3 LYS 627 -32.993 15.023 9.411 5 HG2 LYS 627 HG2 LYS 627 -34.377 14.970 7.361 6 HG3 LYS 627 HG3 LYS 627 -34.068 13.242 7.201 7 HD2 LYS 627 HD2 LYS 627 -35.175 12.807 9.331 8 HD3 LYS 627 HD3 LYS 627 -35.407 14.531 9.599 9 HE2 LYS 627 HE2 LYS 627 -36.567 13.004 7.251 10 HE3 LYS 627 HE3 LYS 627 -37.456 13.375 8.729 11 HZ3 LYS 627 HZ1 LYS 627 -37.445 15.620 8.277 12 HZ2 LYS 627 HZ2 LYS 627 -37.625 14.961 6.723 13 HZ1 LYS 627 HZ3 LYS 627 -36.108 15.528 7.240 No H/Q in entry = 13 In of MODEL 2 1 H GLY 628 H GLY 628 -29.479 13.386 8.280 2 HA3 GLY 628 HA2 GLY 628 -28.610 15.266 10.337 3 HA2 GLY 628 HA3 GLY 628 -27.653 13.931 9.685 No H/Q in entry = 3 In of MODEL 2 1 H PHE 629 H PHE 629 -28.300 14.987 6.898 2 HA PHE 629 HA PHE 629 -26.174 17.097 6.831 3 HB2 PHE 629 HB2 PHE 629 -27.187 15.219 4.674 4 HB3 PHE 629 HB3 PHE 629 -25.930 16.435 4.448 5 HD1 PHE 629 HD1 PHE 629 -26.489 13.036 5.200 6 HD2 PHE 629 HD2 PHE 629 -24.006 16.372 6.321 7 HE1 PHE 629 HE1 PHE 629 -24.785 11.466 6.106 8 HE2 PHE 629 HE2 PHE 629 -22.304 14.802 7.223 9 HZ PHE 629 HZ PHE 629 -22.695 12.351 7.116 No H/Q in entry = 9 In of MODEL 2 1 H THR 630 H THR 630 -26.620 19.084 5.794 2 HA THR 630 HA THR 630 -29.496 19.637 5.359 3 HB THR 630 HB THR 630 -27.480 21.804 4.962 4 HG1 THR 630 HG1 THR 630 -26.858 20.182 6.744 5 HG23 THR 630 HG21 THR 630 -29.903 22.255 5.131 6 HG22 THR 630 HG22 THR 630 -29.031 23.001 6.471 7 HG21 THR 630 HG23 THR 630 -29.933 21.509 6.730 No H/Q in entry = 7 In of MODEL 2 1 H SER 631 H SER 631 -26.766 18.787 3.527 2 HA SER 631 HA SER 631 -27.180 20.316 1.148 3 HB2 SER 631 HB2 SER 631 -25.966 18.408 0.028 4 HB3 SER 631 HB3 SER 631 -25.127 19.075 1.426 5 HG SER 631 HG SER 631 -26.154 16.586 1.016 No H/Q in entry = 5 In of MODEL 2 1 H GLU 632 H GLU 632 -28.260 19.701 -0.821 2 HA GLU 632 HA GLU 632 -30.820 18.433 -0.391 3 HB2 GLU 632 HB2 GLU 632 -29.629 20.073 -2.385 4 HB3 GLU 632 HB3 GLU 632 -30.062 18.583 -3.221 5 HG2 GLU 632 HG2 GLU 632 -32.373 18.774 -2.414 6 HG3 GLU 632 HG3 GLU 632 -31.955 20.225 -1.505 No H/Q in entry = 6 In of MODEL 2 1 H ILE 633 H ILE 633 -31.356 16.296 -0.647 2 HA ILE 633 HA ILE 633 -29.383 14.487 -2.001 3 HB ILE 633 HB ILE 633 -30.926 13.862 0.536 4 HG12 ILE 633 HG12 ILE 633 -27.938 14.290 0.173 5 HG13 ILE 633 HG13 ILE 633 -29.042 15.520 0.783 6 HG21 ILE 633 HG21 ILE 633 -29.898 12.105 -1.424 7 HG23 ILE 633 HG22 ILE 633 -30.311 11.678 0.233 8 HG22 ILE 633 HG23 ILE 633 -28.656 12.116 -0.175 9 HD11 ILE 633 HD11 ILE 633 -28.902 12.787 2.053 10 HD13 ILE 633 HD12 ILE 633 -29.557 14.278 2.725 11 HD12 ILE 633 HD13 ILE 633 -27.814 14.086 2.537 No H/Q in entry = 11 In of MODEL 2 1 H THR 634 H THR 634 -30.312 13.201 -3.503 2 HA THR 634 HA THR 634 -33.285 12.789 -3.421 3 HB THR 634 HB THR 634 -31.656 13.150 -5.947 4 HG1 THR 634 HG1 THR 634 -33.356 15.041 -4.705 5 HG21 THR 634 HG21 THR 634 -33.973 11.915 -5.832 6 HG23 THR 634 HG22 THR 634 -33.710 13.128 -7.077 7 HG22 THR 634 HG23 THR 634 -34.622 13.542 -5.624 No H/Q in entry = 7 In of MODEL 2 1 H VAL 635 H VAL 635 -33.979 10.751 -4.154 2 HA VAL 635 HA VAL 635 -31.832 8.700 -4.596 3 HB VAL 635 HB VAL 635 -34.613 8.343 -3.405 4 HG13 VAL 635 HG11 VAL 635 -34.259 6.068 -3.392 5 HG12 VAL 635 HG12 VAL 635 -32.525 6.228 -3.098 6 HG11 VAL 635 HG13 VAL 635 -33.165 6.420 -4.725 7 HG22 VAL 635 HG21 VAL 635 -33.278 9.489 -1.795 8 HG21 VAL 635 HG22 VAL 635 -31.860 8.499 -2.153 9 HG23 VAL 635 HG23 VAL 635 -33.245 7.791 -1.321 No H/Q in entry = 9 In of MODEL 2 1 H THR 636 H THR 636 -32.166 7.417 -6.479 2 HA THR 636 HA THR 636 -34.662 8.001 -8.032 3 HB THR 636 HB THR 636 -31.856 7.819 -9.163 4 HG1 THR 636 HG1 THR 636 -33.499 9.914 -8.358 5 HG21 THR 636 HG21 THR 636 -34.397 7.411 -10.413 6 HG23 THR 636 HG22 THR 636 -32.831 7.583 -11.207 7 HG22 THR 636 HG23 THR 636 -33.831 9.003 -10.911 No H/Q in entry = 7 In of MODEL 2 1 H SER 637 H SER 637 -35.716 6.127 -8.466 2 HA SER 637 HA SER 637 -34.109 3.659 -8.963 3 HB2 SER 637 HB2 SER 637 -35.288 2.391 -7.402 4 HB3 SER 637 HB3 SER 637 -35.169 3.935 -6.558 5 HG SER 637 HG SER 637 -37.265 3.981 -6.603 No H/Q in entry = 5 In of MODEL 2 1 H ASN 638 H ASN 638 -34.708 2.834 -10.853 2 HA ASN 638 HA ASN 638 -35.945 2.573 -12.860 3 HB2 ASN 638 HB2 ASN 638 -37.541 1.531 -10.553 4 HB3 ASN 638 HB3 ASN 638 -38.320 1.551 -12.136 5 HD21 ASN 638 HD21 ASN 638 -38.220 -0.863 -12.089 6 HD22 ASN 638 HD22 ASN 638 -36.769 -1.654 -12.467 No H/Q in entry = 6 In of MODEL 2 1 H GLY 639 H GLY 639 -36.005 5.162 -12.922 2 HA3 GLY 639 HA2 GLY 639 -37.272 6.907 -13.797 3 HA2 GLY 639 HA3 GLY 639 -38.613 5.787 -13.924 No H/Q in entry = 3 In of MODEL 2 1 H LYS 640 H LYS 640 -38.026 5.575 -10.731 2 HA LYS 640 HA LYS 640 -39.805 7.931 -10.117 3 HB2 LYS 640 HB2 LYS 640 -39.570 5.211 -8.817 4 HB3 LYS 640 HB3 LYS 640 -40.420 6.562 -8.071 5 HG2 LYS 640 HG2 LYS 640 -41.902 6.726 -10.037 6 HG3 LYS 640 HG3 LYS 640 -41.055 5.371 -10.785 7 HD2 LYS 640 HD2 LYS 640 -41.864 3.824 -9.200 8 HD3 LYS 640 HD3 LYS 640 -42.270 5.082 -8.036 9 HE2 LYS 640 HE2 LYS 640 -44.316 4.212 -9.056 10 HE3 LYS 640 HE3 LYS 640 -44.065 5.882 -9.561 11 HZ1 LYS 640 HZ1 LYS 640 -42.944 3.749 -11.223 12 HZ3 LYS 640 HZ2 LYS 640 -43.557 5.268 -11.674 13 HZ2 LYS 640 HZ3 LYS 640 -44.621 4.002 -11.279 No H/Q in entry = 13 In of MODEL 2 1 H SER 641 H SER 641 -38.852 9.530 -8.927 2 HA SER 641 HA SER 641 -36.563 8.779 -7.151 3 HB2 SER 641 HB2 SER 641 -36.429 11.565 -7.860 4 HB3 SER 641 HB3 SER 641 -35.289 10.290 -8.282 5 HG SER 641 HG SER 641 -37.156 11.528 -9.801 No H/Q in entry = 5 In of MODEL 2 1 H ALA 642 H ALA 642 -36.481 9.688 -5.120 2 HA ALA 642 HA ALA 642 -38.721 11.512 -4.328 3 HB1 ALA 642 HB1 ALA 642 -39.003 8.868 -3.891 4 HB3 ALA 642 HB2 ALA 642 -39.622 10.068 -2.768 5 HB2 ALA 642 HB3 ALA 642 -38.087 9.274 -2.441 No H/Q in entry = 5 In of MODEL 2 1 H SER 643 H SER 643 -38.376 12.435 -2.131 2 HA SER 643 HA SER 643 -35.552 13.210 -1.808 3 HB2 SER 643 HB2 SER 643 -38.093 14.430 -1.366 4 HB3 SER 643 HB3 SER 643 -37.292 14.361 0.197 5 HG SER 643 HG SER 643 -36.050 15.269 -2.191 No H/Q in entry = 5 In of MODEL 2 1 H ALA 644 H ALA 644 -34.218 12.403 -0.193 2 HA ALA 644 HA ALA 644 -35.121 10.217 1.432 3 HB2 ALA 644 HB1 ALA 644 -32.800 10.336 0.674 4 HB3 ALA 644 HB2 ALA 644 -32.844 10.358 2.438 5 HB1 ALA 644 HB3 ALA 644 -32.574 11.853 1.543 No H/Q in entry = 5 In of MODEL 2 1 H LYS 645 H LYS 645 -35.218 13.609 1.837 2 HA LYS 645 HA LYS 645 -35.356 13.421 4.808 3 HB2 LYS 645 HB2 LYS 645 -35.512 15.822 4.818 4 HB3 LYS 645 HB3 LYS 645 -34.224 15.404 3.689 5 HG2 LYS 645 HG2 LYS 645 -36.162 15.451 1.906 6 HG3 LYS 645 HG3 LYS 645 -37.002 16.424 3.111 7 HD2 LYS 645 HD2 LYS 645 -34.234 17.044 2.025 8 HD3 LYS 645 HD3 LYS 645 -35.718 17.779 1.436 9 HE2 LYS 645 HE2 LYS 645 -34.909 17.921 4.347 10 HE3 LYS 645 HE3 LYS 645 -34.410 19.123 3.169 11 HZ2 LYS 645 HZ1 LYS 645 -36.640 19.350 4.531 12 HZ1 LYS 645 HZ2 LYS 645 -37.240 18.422 3.241 13 HZ3 LYS 645 HZ3 LYS 645 -36.497 19.919 2.941 No H/Q in entry = 13 In of MODEL 2 1 H SER 646 H SER 646 -37.150 12.237 2.754 2 HA SER 646 HA SER 646 -39.716 13.109 4.016 3 HB2 SER 646 HB2 SER 646 -39.160 13.139 1.053 4 HB3 SER 646 HB3 SER 646 -40.803 13.064 1.696 5 HG SER 646 HG SER 646 -40.230 15.209 1.403 No H/Q in entry = 5 In of MODEL 2 1 H LEU 647 H LEU 647 -39.824 11.134 5.054 2 HA LEU 647 HA LEU 647 -39.541 8.592 3.875 3 HB2 LEU 647 HB2 LEU 647 -39.656 9.042 6.321 4 HB3 LEU 647 HB3 LEU 647 -41.358 9.420 6.114 5 HG LEU 647 HG LEU 647 -41.834 7.140 5.378 6 HD13 LEU 647 HD11 LEU 647 -39.832 6.415 4.291 7 HD12 LEU 647 HD12 LEU 647 -39.922 5.442 5.756 8 HD11 LEU 647 HD13 LEU 647 -38.838 6.832 5.691 9 HD21 LEU 647 HD21 LEU 647 -41.524 7.927 7.905 10 HD23 LEU 647 HD22 LEU 647 -40.177 6.800 7.877 11 HD22 LEU 647 HD23 LEU 647 -41.813 6.231 7.534 No H/Q in entry = 11 In of MODEL 2 1 H PHE 648 H PHE 648 -42.279 10.790 4.071 2 HA PHE 648 HA PHE 648 -44.363 9.079 3.251 3 HB2 PHE 648 HB2 PHE 648 -43.908 11.981 2.502 4 HB3 PHE 648 HB3 PHE 648 -45.427 11.115 2.290 5 HD1 PHE 648 HD1 PHE 648 -43.693 13.289 4.423 6 HD2 PHE 648 HD2 PHE 648 -46.244 9.815 4.529 7 HE1 PHE 648 HE1 PHE 648 -44.368 13.857 6.739 8 HE2 PHE 648 HE2 PHE 648 -46.921 10.404 6.856 9 HZ PHE 648 HZ PHE 648 -45.987 12.412 7.958 No H/Q in entry = 9 In of MODEL 2 1 H LYS 649 H LYS 649 -42.247 11.109 1.149 2 HA LYS 649 HA LYS 649 -43.386 10.000 -1.249 3 HB2 LYS 649 HB2 LYS 649 -40.721 11.414 -0.902 4 HB3 LYS 649 HB3 LYS 649 -41.594 11.178 -2.417 5 HG2 LYS 649 HG2 LYS 649 -43.572 12.376 -1.221 6 HG3 LYS 649 HG3 LYS 649 -42.350 12.921 -0.075 7 HD2 LYS 649 HD2 LYS 649 -42.082 13.330 -3.069 8 HD3 LYS 649 HD3 LYS 649 -42.857 14.503 -2.012 9 HE2 LYS 649 HE2 LYS 649 -40.277 13.714 -0.909 10 HE3 LYS 649 HE3 LYS 649 -40.099 14.321 -2.550 11 HZ1 LYS 649 HZ1 LYS 649 -41.892 16.029 -1.418 12 HZ3 LYS 649 HZ2 LYS 649 -40.235 16.331 -1.648 13 HZ2 LYS 649 HZ3 LYS 649 -40.792 15.734 -0.158 No H/Q in entry = 13 In of MODEL 2 1 H LEU 650 H LEU 650 -40.441 9.199 0.622 2 HA LEU 650 HA LEU 650 -39.294 7.401 -1.191 3 HB2 LEU 650 HB2 LEU 650 -39.449 7.156 1.826 4 HB3 LEU 650 HB3 LEU 650 -38.532 6.031 0.833 5 HG LEU 650 HG LEU 650 -38.066 9.017 0.687 6 HD11 LEU 650 HD11 LEU 650 -37.155 7.043 2.761 7 HD13 LEU 650 HD12 LEU 650 -37.476 8.767 2.914 8 HD12 LEU 650 HD13 LEU 650 -35.974 8.223 2.194 9 HD22 LEU 650 HD21 LEU 650 -36.197 8.487 -0.588 10 HD21 LEU 650 HD22 LEU 650 -37.156 7.067 -0.982 11 HD23 LEU 650 HD23 LEU 650 -35.914 6.961 0.251 No H/Q in entry = 11 In of MODEL 2 1 H GLN 651 H GLN 651 -41.758 6.536 1.272 2 HA GLN 651 HA GLN 651 -42.165 3.890 0.737 3 HB2 GLN 651 HB2 GLN 651 -43.980 6.124 1.490 4 HB3 GLN 651 HB3 GLN 651 -44.797 4.699 0.864 5 HG2 GLN 651 HG2 GLN 651 -44.654 4.452 3.243 6 HG3 GLN 651 HG3 GLN 651 -43.507 3.325 2.531 7 HE21 GLN 651 HE21 GLN 651 -43.296 4.426 5.232 8 HE22 GLN 651 HE22 GLN 651 -41.864 5.334 5.292 No H/Q in entry = 8 In of MODEL 2 1 H THR 652 H THR 652 -42.647 6.421 -1.612 2 HA THR 652 HA THR 652 -44.433 4.770 -3.254 3 HB THR 652 HB THR 652 -44.357 6.625 -4.835 4 HG1 THR 652 HG1 THR 652 -42.893 8.210 -4.657 5 HG23 THR 652 HG21 THR 652 -45.854 6.905 -2.970 6 HG22 THR 652 HG22 THR 652 -45.075 8.457 -3.277 7 HG21 THR 652 HG23 THR 652 -44.535 7.451 -1.928 No H/Q in entry = 7 In of MODEL 2 1 H LEU 653 H LEU 653 -41.076 4.866 -2.743 2 HA LEU 653 HA LEU 653 -40.458 3.937 -5.510 3 HB2 LEU 653 HB2 LEU 653 -38.541 4.155 -3.176 4 HB3 LEU 653 HB3 LEU 653 -38.146 4.023 -4.887 5 HG LEU 653 HG LEU 653 -39.506 6.344 -3.523 6 HD12 LEU 653 HD11 LEU 653 -37.054 6.928 -5.034 7 HD11 LEU 653 HD12 LEU 653 -36.752 5.707 -3.805 8 HD13 LEU 653 HD13 LEU 653 -37.418 7.263 -3.344 9 HD22 LEU 653 HD21 LEU 653 -40.504 6.268 -5.650 10 HD21 LEU 653 HD22 LEU 653 -39.023 5.701 -6.428 11 HD23 LEU 653 HD23 LEU 653 -39.153 7.374 -5.886 No H/Q in entry = 11 In of MODEL 2 1 H GLY 654 H GLY 654 -40.731 1.787 -5.882 2 HA3 GLY 654 HA2 GLY 654 -40.917 -0.123 -3.691 3 HA2 GLY 654 HA3 GLY 654 -40.937 -0.528 -5.410 No H/Q in entry = 3 In of MODEL 2 1 H LEU 655 H LEU 655 -38.876 -0.034 -2.606 2 HA LEU 655 HA LEU 655 -36.451 -0.720 -4.210 3 HB2 LEU 655 HB2 LEU 655 -36.607 0.104 -1.298 4 HB3 LEU 655 HB3 LEU 655 -35.177 0.061 -2.326 5 HG LEU 655 HG LEU 655 -37.559 1.913 -2.612 6 HD11 LEU 655 HD11 LEU 655 -35.817 2.434 -0.858 7 HD13 LEU 655 HD12 LEU 655 -35.989 3.671 -2.103 8 HD12 LEU 655 HD13 LEU 655 -34.631 2.544 -2.162 9 HD21 LEU 655 HD21 LEU 655 -35.236 1.318 -4.443 10 HD23 LEU 655 HD22 LEU 655 -36.003 2.905 -4.454 11 HD22 LEU 655 HD23 LEU 655 -36.947 1.469 -4.844 No H/Q in entry = 11 In of MODEL 2 1 H THR 656 H THR 656 -36.793 -2.986 -4.482 2 HA THR 656 HA THR 656 -37.233 -4.636 -2.063 3 HB THR 656 HB THR 656 -37.468 -6.491 -3.676 4 HG1 THR 656 HG1 THR 656 -37.496 -5.013 -5.913 5 HG23 THR 656 HG21 THR 656 -39.600 -5.646 -3.554 6 HG22 THR 656 HG22 THR 656 -39.266 -5.075 -5.187 7 HG21 THR 656 HG23 THR 656 -39.067 -3.986 -3.817 No H/Q in entry = 7 In of MODEL 2 1 H GLN 657 H GLN 657 -35.899 -6.826 -2.199 2 HA GLN 657 HA GLN 657 -33.148 -6.140 -1.697 3 HB2 GLN 657 HB2 GLN 657 -32.831 -8.639 -1.505 4 HB3 GLN 657 HB3 GLN 657 -34.083 -7.973 -0.461 5 HG2 GLN 657 HG2 GLN 657 -35.810 -8.917 -1.686 6 HG3 GLN 657 HG3 GLN 657 -34.883 -8.944 -3.180 7 HE21 GLN 657 HE21 GLN 657 -36.321 -11.225 -1.899 8 HE22 GLN 657 HE22 GLN 657 -35.137 -12.404 -1.617 No H/Q in entry = 8 In of MODEL 2 1 H GLY 658 H GLY 658 -31.713 -5.673 -3.268 2 HA3 GLY 658 HA2 GLY 658 -30.275 -6.465 -5.072 3 HA2 GLY 658 HA3 GLY 658 -31.617 -7.444 -5.666 No H/Q in entry = 3 In of MODEL 2 1 H THR 659 H THR 659 -32.696 -4.396 -4.715 2 HA THR 659 HA THR 659 -33.096 -3.627 -7.529 3 HB THR 659 HB THR 659 -33.925 -2.080 -5.071 4 HG1 THR 659 HG1 THR 659 -35.916 -3.480 -6.084 5 HG22 THR 659 HG21 THR 659 -35.333 -2.275 -7.733 6 HG21 THR 659 HG22 THR 659 -34.034 -1.116 -7.471 7 HG23 THR 659 HG23 THR 659 -35.494 -1.033 -6.491 No H/Q in entry = 7 In of MODEL 2 1 H VAL 660 H VAL 660 -31.347 -2.684 -8.473 2 HA VAL 660 HA VAL 660 -29.443 -1.099 -6.968 3 HB VAL 660 HB VAL 660 -29.775 -1.204 -9.980 4 HG12 VAL 660 HG11 VAL 660 -27.276 -0.712 -9.850 5 HG11 VAL 660 HG12 VAL 660 -27.524 -0.358 -8.138 6 HG13 VAL 660 HG13 VAL 660 -28.345 0.606 -9.365 7 HG23 VAL 660 HG21 VAL 660 -27.608 -2.847 -8.844 8 HG22 VAL 660 HG22 VAL 660 -28.852 -3.301 -10.000 9 HG21 VAL 660 HG23 VAL 660 -29.191 -3.379 -8.275 No H/Q in entry = 9 In of MODEL 2 1 H VAL 661 H VAL 661 -29.839 0.839 -6.247 2 HA VAL 661 HA VAL 661 -31.656 2.668 -7.776 3 HB VAL 661 HB VAL 661 -32.039 3.761 -5.645 4 HG13 VAL 661 HG11 VAL 661 -33.392 1.766 -6.040 5 HG12 VAL 661 HG12 VAL 661 -32.987 1.876 -4.325 6 HG11 VAL 661 HG13 VAL 661 -32.117 0.747 -5.365 7 HG21 VAL 661 HG21 VAL 661 -29.821 1.948 -4.690 8 HG23 VAL 661 HG22 VAL 661 -30.936 2.726 -3.567 9 HG22 VAL 661 HG23 VAL 661 -29.896 3.707 -4.602 No H/Q in entry = 9 In of MODEL 2 1 H THR 662 H THR 662 -30.931 5.077 -7.201 2 HA THR 662 HA THR 662 -27.955 5.266 -7.185 3 HB THR 662 HB THR 662 -29.711 6.915 -9.022 4 HG1 THR 662 HG1 THR 662 -29.367 5.450 -10.468 5 HG21 THR 662 HG21 THR 662 -27.139 7.432 -7.957 6 HG23 THR 662 HG22 THR 662 -27.857 8.213 -9.364 7 HG22 THR 662 HG23 THR 662 -26.836 6.788 -9.570 No H/Q in entry = 7 In of MODEL 2 1 H ILE 663 H ILE 663 -27.281 6.728 -5.702 2 HA ILE 663 HA ILE 663 -29.371 8.513 -4.513 3 HB ILE 663 HB ILE 663 -26.634 7.681 -3.479 4 HG12 ILE 663 HG12 ILE 663 -29.328 6.826 -2.391 5 HG13 ILE 663 HG13 ILE 663 -28.514 5.902 -3.648 6 HG23 ILE 663 HG21 ILE 663 -27.239 8.797 -1.438 7 HG22 ILE 663 HG22 ILE 663 -28.894 9.050 -1.989 8 HG21 ILE 663 HG23 ILE 663 -27.574 9.938 -2.731 9 HD12 ILE 663 HD11 ILE 663 -27.370 6.570 -0.920 10 HD11 ILE 663 HD12 ILE 663 -26.526 5.689 -2.192 11 HD13 ILE 663 HD13 ILE 663 -27.960 4.996 -1.440 No H/Q in entry = 11 In of MODEL 2 1 H SER 664 H SER 664 -29.261 10.548 -5.306 2 HA SER 664 HA SER 664 -26.588 11.611 -6.199 3 HB2 SER 664 HB2 SER 664 -28.169 13.166 -7.625 4 HB3 SER 664 HB3 SER 664 -27.814 11.533 -8.183 5 HG SER 664 HG SER 664 -29.767 10.865 -7.180 No H/Q in entry = 5 In of MODEL 2 1 H ALA 665 H ALA 665 -25.938 13.473 -5.160 2 HA ALA 665 HA ALA 665 -27.993 15.159 -3.808 3 HB1 ALA 665 HB1 ALA 665 -25.530 14.089 -2.404 4 HB3 ALA 665 HB2 ALA 665 -27.166 13.479 -2.154 5 HB2 ALA 665 HB3 ALA 665 -26.765 15.137 -1.710 No H/Q in entry = 5 In of MODEL 2 1 H GLU 666 H GLU 666 -27.271 17.307 -3.422 2 HA GLU 666 HA GLU 666 -24.552 18.064 -4.356 3 HB2 GLU 666 HB2 GLU 666 -26.011 18.225 -6.360 4 HB3 GLU 666 HB3 GLU 666 -27.102 19.283 -5.466 5 HG2 GLU 666 HG2 GLU 666 -25.301 20.934 -5.186 6 HG3 GLU 666 HG3 GLU 666 -24.182 19.872 -6.034 No H/Q in entry = 6 In of MODEL 2 1 H GLY 667 H GLY 667 -23.756 19.474 -2.830 2 HA3 GLY 667 HA2 GLY 667 -24.843 21.816 -1.905 3 HA2 GLY 667 HA3 GLY 667 -25.585 20.614 -0.852 No H/Q in entry = 3 In of MODEL 2 1 H GLU 668 H GLU 668 -24.460 21.718 0.821 2 HA GLU 668 HA GLU 668 -21.644 22.019 1.046 3 HB2 GLU 668 HB2 GLU 668 -23.157 23.116 2.603 4 HB3 GLU 668 HB3 GLU 668 -23.643 21.560 3.277 5 HG2 GLU 668 HG2 GLU 668 -21.387 21.151 4.102 6 HG3 GLU 668 HG3 GLU 668 -20.788 22.592 3.276 No H/Q in entry = 6 In of MODEL 2 1 H ASP 669 H ASP 669 -23.594 19.256 2.347 2 HA ASP 669 HA ASP 669 -21.002 17.811 2.759 3 HB2 ASP 669 HB2 ASP 669 -23.772 17.410 3.904 4 HB3 ASP 669 HB3 ASP 669 -22.440 16.280 4.161 No H/Q in entry = 4 In of MODEL 2 1 H GLU 670 H GLU 670 -23.040 18.036 0.291 2 HA GLU 670 HA GLU 670 -24.204 15.676 -0.414 3 HB2 GLU 670 HB2 GLU 670 -23.667 16.149 -2.733 4 HB3 GLU 670 HB3 GLU 670 -23.977 17.660 -1.890 5 HG2 GLU 670 HG2 GLU 670 -21.475 17.855 -1.518 6 HG3 GLU 670 HG3 GLU 670 -21.283 16.490 -2.616 No H/Q in entry = 6 In of MODEL 2 1 H GLN 671 H GLN 671 -20.671 16.148 -0.303 2 HA GLN 671 HA GLN 671 -20.050 13.664 -1.629 3 HB2 GLN 671 HB2 GLN 671 -18.396 15.244 0.358 4 HB3 GLN 671 HB3 GLN 671 -17.788 13.972 -0.699 5 HG2 GLN 671 HG2 GLN 671 -18.403 15.283 -2.675 6 HG3 GLN 671 HG3 GLN 671 -19.085 16.541 -1.645 7 HE21 GLN 671 HE21 GLN 671 -17.305 17.822 -2.940 8 HE22 GLN 671 HE22 GLN 671 -15.761 17.879 -2.233 No H/Q in entry = 8 In of MODEL 2 1 H LYS 672 H LYS 672 -20.345 14.518 1.821 2 HA LYS 672 HA LYS 672 -19.588 11.897 2.763 3 HB2 LYS 672 HB2 LYS 672 -21.201 14.122 4.044 4 HB3 LYS 672 HB3 LYS 672 -20.688 12.665 4.896 5 HG2 LYS 672 HG2 LYS 672 -18.350 13.191 4.515 6 HG3 LYS 672 HG3 LYS 672 -18.786 14.557 3.488 7 HD2 LYS 672 HD2 LYS 672 -19.939 15.605 5.452 8 HD3 LYS 672 HD3 LYS 672 -19.355 14.279 6.457 9 HE2 LYS 672 HE2 LYS 672 -17.428 15.919 4.811 10 HE3 LYS 672 HE3 LYS 672 -17.970 16.484 6.388 11 HZ1 LYS 672 HZ1 LYS 672 -17.322 13.836 6.742 12 HZ3 LYS 672 HZ2 LYS 672 -16.428 15.184 7.260 13 HZ2 LYS 672 HZ3 LYS 672 -16.081 14.458 5.765 No H/Q in entry = 13 In of MODEL 2 1 H ALA 673 H ALA 673 -22.750 13.499 2.439 2 HA ALA 673 HA ALA 673 -24.452 11.490 3.229 3 HB2 ALA 673 HB1 ALA 673 -24.692 13.547 1.044 4 HB3 ALA 673 HB2 ALA 673 -25.445 13.533 2.638 5 HB1 ALA 673 HB3 ALA 673 -26.017 12.433 1.384 No H/Q in entry = 5 In of MODEL 2 1 H VAL 674 H VAL 674 -22.768 11.611 0.068 2 HA VAL 674 HA VAL 674 -24.257 9.244 -0.852 3 HB VAL 674 HB VAL 674 -21.826 10.588 -2.078 4 HG11 VAL 674 HG11 VAL 674 -23.495 8.192 -2.837 5 HG13 VAL 674 HG12 VAL 674 -21.760 8.442 -3.009 6 HG12 VAL 674 HG13 VAL 674 -22.875 9.220 -4.127 7 HG23 VAL 674 HG21 VAL 674 -23.495 11.449 -3.706 8 HG22 VAL 674 HG22 VAL 674 -23.830 12.016 -2.068 9 HG21 VAL 674 HG23 VAL 674 -24.785 10.702 -2.763 No H/Q in entry = 9 In of MODEL 2 1 H GLU 675 H GLU 675 -21.037 9.926 0.490 2 HA GLU 675 HA GLU 675 -20.069 7.247 0.071 3 HB2 GLU 675 HB2 GLU 675 -19.164 9.437 1.957 4 HB3 GLU 675 HB3 GLU 675 -18.347 7.881 1.832 5 HG2 GLU 675 HG2 GLU 675 -18.280 8.417 -0.745 6 HG3 GLU 675 HG3 GLU 675 -18.565 10.076 -0.225 No H/Q in entry = 6 In of MODEL 2 1 H HIS 676 H HIS 676 -21.783 8.774 2.825 2 HA HIS 676 HA HIS 676 -21.482 6.337 4.428 3 HB2 HIS 676 HB2 HIS 676 -22.064 9.036 4.962 4 HB3 HIS 676 HB3 HIS 676 -23.546 8.161 5.344 5 HD1 HIS 676 HD1 HIS 676 -23.111 5.916 6.899 6 HD2 HIS 676 HD2 HIS 676 -20.175 8.876 6.975 7 HE1 HIS 676 HE1 HIS 676 -21.723 5.493 8.975 8 HE2 HIS 676 HE2 HIS 676 -19.930 7.291 9.037 No H/Q in entry = 8 In of MODEL 2 1 H LEU 677 H LEU 677 -24.194 7.997 2.740 2 HA LEU 677 HA LEU 677 -26.182 6.083 3.457 3 HB2 LEU 677 HB2 LEU 677 -25.950 7.788 0.962 4 HB3 LEU 677 HB3 LEU 677 -27.375 6.847 1.377 5 HG LEU 677 HG LEU 677 -26.189 8.983 3.176 6 HD12 LEU 677 HD11 LEU 677 -28.587 9.148 1.327 7 HD11 LEU 677 HD12 LEU 677 -27.029 9.919 1.025 8 HD13 LEU 677 HD13 LEU 677 -28.013 10.423 2.402 9 HD23 LEU 677 HD21 LEU 677 -28.679 8.809 4.036 10 HD22 LEU 677 HD22 LEU 677 -27.505 7.602 4.560 11 HD21 LEU 677 HD23 LEU 677 -28.642 7.226 3.269 No H/Q in entry = 11 In of MODEL 2 1 H VAL 678 H VAL 678 -23.827 6.123 0.812 2 HA VAL 678 HA VAL 678 -24.880 3.851 -0.575 3 HB VAL 678 HB VAL 678 -22.098 5.038 -0.429 4 HG11 VAL 678 HG11 VAL 678 -23.103 2.567 -1.825 5 HG13 VAL 678 HG12 VAL 678 -21.579 2.818 -0.973 6 HG12 VAL 678 HG13 VAL 678 -21.825 3.533 -2.566 7 HG21 VAL 678 HG21 VAL 678 -24.157 6.147 -1.612 8 HG23 VAL 678 HG22 VAL 678 -23.922 4.885 -2.821 9 HG22 VAL 678 HG23 VAL 678 -22.632 6.043 -2.492 No H/Q in entry = 9 In of MODEL 2 1 H LYS 679 H LYS 679 -22.455 4.105 2.060 2 HA LYS 679 HA LYS 679 -22.055 1.231 2.149 3 HB2 LYS 679 HB2 LYS 679 -20.573 3.176 3.138 4 HB3 LYS 679 HB3 LYS 679 -21.641 3.019 4.533 5 HG2 LYS 679 HG2 LYS 679 -21.101 0.658 4.745 6 HG3 LYS 679 HG3 LYS 679 -20.120 0.722 3.281 7 HD2 LYS 679 HD2 LYS 679 -18.450 1.000 4.850 8 HD3 LYS 679 HD3 LYS 679 -18.914 2.689 4.626 9 HE2 LYS 679 HE2 LYS 679 -18.885 2.310 6.987 10 HE3 LYS 679 HE3 LYS 679 -20.581 2.360 6.512 11 HZ1 LYS 679 HZ1 LYS 679 -19.160 -0.213 6.548 12 HZ3 LYS 679 HZ2 LYS 679 -20.815 0.106 6.761 13 HZ2 LYS 679 HZ3 LYS 679 -19.715 0.450 8.007 No H/Q in entry = 13 In of MODEL 2 1 H LEU 680 H LEU 680 -23.793 3.488 4.329 2 HA LEU 680 HA LEU 680 -25.066 1.620 5.943 3 HB2 LEU 680 HB2 LEU 680 -25.101 4.094 6.262 4 HB3 LEU 680 HB3 LEU 680 -26.213 4.236 4.912 5 HG LEU 680 HG LEU 680 -27.827 2.764 6.161 6 HD12 LEU 680 HD11 LEU 680 -27.334 2.758 8.743 7 HD11 LEU 680 HD12 LEU 680 -25.654 2.983 8.257 8 HD13 LEU 680 HD13 LEU 680 -26.534 1.548 7.741 9 HD21 LEU 680 HD21 LEU 680 -28.001 5.228 6.160 10 HD23 LEU 680 HD22 LEU 680 -26.956 5.304 7.576 11 HD22 LEU 680 HD23 LEU 680 -28.546 4.550 7.695 No H/Q in entry = 11 In of MODEL 2 1 H MET 681 H MET 681 -25.908 2.584 2.660 2 HA MET 681 HA MET 681 -28.466 1.152 2.713 3 HB2 MET 681 HB2 MET 681 -28.196 2.978 1.083 4 HB3 MET 681 HB3 MET 681 -26.848 2.114 0.338 5 HG2 MET 681 HG2 MET 681 -28.280 0.314 -0.372 6 HG3 MET 681 HG3 MET 681 -29.621 0.916 0.595 7 HE1 MET 681 HE1 MET 681 -30.450 3.046 0.544 8 HE3 MET 681 HE2 MET 681 -31.496 3.101 -0.871 9 HE2 MET 681 HE3 MET 681 -30.234 4.316 -0.665 No H/Q in entry = 9 In of MODEL 2 1 H ALA 682 H ALA 682 -25.153 0.510 1.700 2 HA ALA 682 HA ALA 682 -25.814 -2.187 0.772 3 HB3 ALA 682 HB1 ALA 682 -23.811 -0.507 0.110 4 HB1 ALA 682 HB2 ALA 682 -23.680 -2.258 -0.055 5 HB2 ALA 682 HB3 ALA 682 -22.993 -1.451 1.354 No H/Q in entry = 5 In of MODEL 2 1 H GLU 683 H GLU 683 -25.440 -0.817 3.834 2 HA GLU 683 HA GLU 683 -24.400 -3.386 4.949 3 HB2 GLU 683 HB2 GLU 683 -23.874 -0.621 5.632 4 HB3 GLU 683 HB3 GLU 683 -24.423 -1.535 7.039 5 HG2 GLU 683 HG2 GLU 683 -22.745 -3.291 6.541 6 HG3 GLU 683 HG3 GLU 683 -22.178 -2.350 5.166 No H/Q in entry = 6 In of MODEL 2 1 H LEU 684 H LEU 684 -27.342 -1.879 4.497 2 HA LEU 684 HA LEU 684 -28.449 -2.593 7.125 3 HB2 LEU 684 HB2 LEU 684 -29.678 -1.551 4.566 4 HB3 LEU 684 HB3 LEU 684 -30.661 -2.029 5.950 5 HG LEU 684 HG LEU 684 -28.374 -0.079 6.245 6 HD11 LEU 684 HD11 LEU 684 -30.279 0.547 4.526 7 HD13 LEU 684 HD12 LEU 684 -29.739 1.731 5.714 8 HD12 LEU 684 HD13 LEU 684 -31.225 0.824 5.988 9 HD21 LEU 684 HD21 LEU 684 -30.866 -0.745 7.830 10 HD23 LEU 684 HD22 LEU 684 -29.832 0.639 8.181 11 HD22 LEU 684 HD23 LEU 684 -29.190 -0.997 8.317 No H/Q in entry = 11 In of MODEL 2 1 H GLU 685 H GLU 685 -29.311 -4.519 7.636 2 HA GLU 685 HA GLU 685 -29.567 -6.576 5.500 3 HB2 GLU 685 HB2 GLU 685 -29.435 -6.988 8.504 4 HB3 GLU 685 HB3 GLU 685 -29.329 -8.231 7.260 5 HG2 GLU 685 HG2 GLU 685 -27.346 -5.954 7.567 6 HG3 GLU 685 HG3 GLU 685 -27.093 -7.578 8.193 No H/Q in entry = 6 In of MODEL 2 1 H1 MET 601 H3 MET 601 8.443 14.715 -39.318 2 H2 MET 601 H2 MET 601 9.566 15.705 -40.122 3 H3 MET 601 H1 MET 601 8.255 15.037 -40.971 4 HA MET 601 HA MET 601 10.133 13.761 -41.555 5 HB2 MET 601 HB2 MET 601 11.441 14.561 -39.524 6 HB3 MET 601 HB3 MET 601 10.596 13.334 -38.585 7 HG2 MET 601 HG2 MET 601 11.770 11.586 -39.551 8 HG3 MET 601 HG3 MET 601 11.917 12.397 -41.107 9 HE1 MET 601 HE1 MET 601 13.917 10.803 -38.909 10 HE3 MET 601 HE2 MET 601 13.437 11.840 -37.569 11 HE2 MET 601 HE3 MET 601 15.105 11.862 -38.137 No H/Q in entry = 11 In of MODEL 2 1 H PHE 602 H PHE 602 10.233 11.319 -41.385 2 HA PHE 602 HA PHE 602 7.987 10.053 -39.941 3 HB2 PHE 602 HB2 PHE 602 7.080 10.961 -42.157 4 HB3 PHE 602 HB3 PHE 602 8.119 9.780 -42.953 5 HD1 PHE 602 HD1 PHE 602 5.162 10.260 -40.801 6 HD2 PHE 602 HD2 PHE 602 7.694 7.383 -42.755 7 HE1 PHE 602 HE1 PHE 602 3.461 8.488 -40.400 8 HE2 PHE 602 HE2 PHE 602 5.996 5.609 -42.352 9 HZ PHE 602 HZ PHE 602 3.880 6.165 -41.171 No H/Q in entry = 9 In of MODEL 2 1 H GLN 603 H GLN 603 8.237 7.741 -39.810 2 HA GLN 603 HA GLN 603 10.598 6.558 -41.162 3 HB2 GLN 603 HB2 GLN 603 11.520 5.773 -38.982 4 HB3 GLN 603 HB3 GLN 603 11.541 7.529 -39.133 5 HG2 GLN 603 HG2 GLN 603 9.401 7.638 -37.865 6 HG3 GLN 603 HG3 GLN 603 9.467 5.887 -37.650 7 HE21 GLN 603 HE21 GLN 603 9.647 6.223 -35.278 8 HE22 GLN 603 HE22 GLN 603 11.122 6.719 -34.597 No H/Q in entry = 8 In of MODEL 2 1 H GLN 604 H GLN 604 10.709 4.209 -40.886 2 HA GLN 604 HA GLN 604 8.373 2.844 -39.731 3 HB2 GLN 604 HB2 GLN 604 7.614 3.523 -41.992 4 HB3 GLN 604 HB3 GLN 604 8.976 2.655 -42.692 5 HG2 GLN 604 HG2 GLN 604 7.865 0.669 -42.571 6 HG3 GLN 604 HG3 GLN 604 7.542 0.893 -40.856 7 HE21 GLN 604 HE21 GLN 604 5.334 0.088 -41.070 8 HE22 GLN 604 HE22 GLN 604 4.130 1.005 -41.835 No H/Q in entry = 8 In of MODEL 2 1 H GLU 605 H GLU 605 8.780 0.567 -39.457 2 HA GLU 605 HA GLU 605 11.617 -0.241 -39.838 3 HB2 GLU 605 HB2 GLU 605 9.528 -1.291 -37.915 4 HB3 GLU 605 HB3 GLU 605 11.188 -1.873 -38.038 5 HG2 GLU 605 HG2 GLU 605 12.081 0.196 -37.272 6 HG3 GLU 605 HG3 GLU 605 10.535 1.027 -37.484 No H/Q in entry = 6 In of MODEL 2 1 H VAL 606 H VAL 606 12.034 -1.922 -41.195 2 HA VAL 606 HA VAL 606 9.740 -3.753 -41.905 3 HB VAL 606 HB VAL 606 11.716 -2.989 -44.007 4 HG12 VAL 606 HG11 VAL 606 9.731 -3.283 -45.450 5 HG11 VAL 606 HG12 VAL 606 8.748 -3.596 -44.025 6 HG13 VAL 606 HG13 VAL 606 10.033 -4.716 -44.468 7 HG23 VAL 606 HG21 VAL 606 9.346 -1.281 -43.197 8 HG22 VAL 606 HG22 VAL 606 10.352 -1.031 -44.621 9 HG21 VAL 606 HG23 VAL 606 11.041 -0.838 -43.009 No H/Q in entry = 9 In of MODEL 2 1 H THR 607 H THR 607 10.162 -5.757 -41.501 2 HA THR 607 HA THR 607 12.820 -6.772 -40.955 3 HB THR 607 HB THR 607 11.197 -7.831 -39.661 4 HG1 THR 607 HG1 THR 607 10.972 -9.728 -41.644 5 HG22 THR 607 HG21 THR 607 9.093 -8.787 -40.785 6 HG21 THR 607 HG22 THR 607 9.548 -7.827 -42.190 7 HG23 THR 607 HG23 THR 607 9.192 -7.033 -40.659 No H/Q in entry = 7 In of MODEL 2 1 H ILE 608 H ILE 608 14.147 -6.917 -42.647 2 HA ILE 608 HA ILE 608 13.554 -7.384 -45.336 3 HB ILE 608 HB ILE 608 16.052 -8.240 -43.849 4 HG12 ILE 608 HG12 ILE 608 15.395 -5.687 -45.362 5 HG13 ILE 608 HG13 ILE 608 15.303 -5.846 -43.610 6 HG21 ILE 608 HG21 ILE 608 15.391 -7.947 -46.811 7 HG23 ILE 608 HG22 ILE 608 16.208 -9.289 -46.015 8 HG22 ILE 608 HG23 ILE 608 17.048 -7.768 -46.243 9 HD12 ILE 608 HD11 ILE 608 17.729 -5.843 -45.384 10 HD11 ILE 608 HD12 ILE 608 17.798 -6.697 -43.840 11 HD13 ILE 608 HD13 ILE 608 17.449 -4.970 -43.882 No H/Q in entry = 11 In of MODEL 2 1 H THR 609 H THR 609 12.677 -8.981 -46.368 2 HA THR 609 HA THR 609 12.725 -11.725 -45.206 3 HB THR 609 HB THR 609 10.676 -12.141 -46.468 4 HG1 THR 609 HG1 THR 609 11.102 -10.843 -48.256 5 HG23 THR 609 HG21 THR 609 9.240 -10.855 -45.145 6 HG22 THR 609 HG22 THR 609 10.267 -9.426 -45.248 7 HG21 THR 609 HG23 THR 609 10.745 -10.783 -44.228 No H/Q in entry = 7 In of MODEL 2 1 H ALA 610 H ALA 610 14.708 -10.318 -47.104 2 HA ALA 610 HA ALA 610 14.446 -11.814 -49.594 3 HB2 ALA 610 HB1 ALA 610 15.638 -9.702 -49.664 4 HB3 ALA 610 HB2 ALA 610 16.791 -10.991 -50.010 5 HB1 ALA 610 HB3 ALA 610 16.759 -10.242 -48.413 No H/Q in entry = 5 In of MODEL 2 1 HA PRO 611 HA PRO 611 15.900 -15.556 -47.489 2 HB2 PRO 611 HB2 PRO 611 16.460 -16.983 -49.840 3 HB3 PRO 611 HB3 PRO 611 14.922 -16.987 -48.957 4 HG2 PRO 611 HG2 PRO 611 15.706 -15.476 -51.392 5 HG3 PRO 611 HG3 PRO 611 14.132 -16.148 -50.933 6 HD2 PRO 611 HD2 PRO 611 14.669 -13.491 -50.773 7 HD3 PRO 611 HD3 PRO 611 13.573 -14.303 -49.627 No H/Q in entry = 7 In of MODEL 2 1 H ASN 612 H ASN 612 17.698 -13.581 -49.645 2 HA ASN 612 HA ASN 612 20.241 -14.921 -48.785 3 HB2 ASN 612 HB2 ASN 612 19.491 -13.608 -51.396 4 HB3 ASN 612 HB3 ASN 612 21.179 -13.780 -50.916 5 HD21 ASN 612 HD21 ASN 612 21.756 -16.145 -50.203 6 HD22 ASN 612 HD22 ASN 612 21.065 -17.389 -51.123 No H/Q in entry = 6 In of MODEL 2 1 H GLY 613 H GLY 613 18.414 -12.485 -47.904 2 HA3 GLY 613 HA2 GLY 613 18.936 -10.535 -46.673 3 HA2 GLY 613 HA3 GLY 613 20.648 -10.906 -46.902 No H/Q in entry = 3 In of MODEL 2 1 H LEU 614 H LEU 614 20.153 -8.312 -47.191 2 HA LEU 614 HA LEU 614 19.386 -7.625 -49.930 3 HB2 LEU 614 HB2 LEU 614 19.324 -6.307 -47.525 4 HB3 LEU 614 HB3 LEU 614 20.814 -5.663 -48.199 5 HG LEU 614 HG LEU 614 18.261 -5.722 -49.833 6 HD11 LEU 614 HD11 LEU 614 19.222 -3.565 -47.933 7 HD13 LEU 614 HD12 LEU 614 17.724 -4.477 -47.810 8 HD12 LEU 614 HD13 LEU 614 17.957 -3.341 -49.140 9 HD23 LEU 614 HD21 LEU 614 20.618 -3.826 -49.930 10 HD22 LEU 614 HD22 LEU 614 19.373 -4.059 -51.155 11 HD21 LEU 614 HD23 LEU 614 20.566 -5.323 -50.861 No H/Q in entry = 11 In of MODEL 2 1 H HIS 615 H HIS 615 21.050 -8.791 -51.167 2 HA HIS 615 HA HIS 615 23.871 -8.005 -50.618 3 HB2 HIS 615 HB2 HIS 615 22.733 -10.143 -52.395 4 HB3 HIS 615 HB3 HIS 615 24.398 -9.618 -52.557 5 HD1 HIS 615 HD1 HIS 615 22.721 -9.878 -49.188 6 HD2 HIS 615 HD2 HIS 615 25.421 -12.057 -51.513 7 HE1 HIS 615 HE1 HIS 615 23.588 -11.752 -47.721 8 HE2 HIS 615 HE2 HIS 615 25.223 -13.092 -49.129 No H/Q in entry = 8 In of MODEL 2 1 H THR 616 H THR 616 24.899 -8.110 -53.257 2 HA THR 616 HA THR 616 24.718 -5.388 -53.938 3 HB THR 616 HB THR 616 25.423 -7.596 -55.884 4 HG1 THR 616 HG1 THR 616 26.864 -8.057 -54.436 5 HG23 THR 616 HG21 THR 616 26.870 -5.923 -56.862 6 HG22 THR 616 HG22 THR 616 26.526 -4.793 -55.553 7 HG21 THR 616 HG23 THR 616 25.263 -5.215 -56.708 No H/Q in entry = 7 In of MODEL 2 1 H ARG 617 H ARG 617 22.898 -8.105 -55.434 2 HA ARG 617 HA ARG 617 21.795 -6.512 -57.488 3 HB2 ARG 617 HB2 ARG 617 21.510 -8.783 -57.871 4 HB3 ARG 617 HB3 ARG 617 21.025 -9.112 -56.236 5 HG2 ARG 617 HG2 ARG 617 19.149 -9.381 -57.813 6 HG3 ARG 617 HG3 ARG 617 18.803 -8.104 -56.661 7 HD2 ARG 617 HD2 ARG 617 19.763 -6.506 -58.468 8 HD3 ARG 617 HD3 ARG 617 19.582 -7.854 -59.570 9 HE ARG 617 HE ARG 617 17.518 -6.085 -58.690 10 HH21 ARG 617 HH11 ARG 617 15.344 -6.597 -58.767 11 HH22 ARG 617 HH12 ARG 617 14.859 -8.247 -58.966 12 HH11 ARG 617 HH21 ARG 617 18.093 -9.456 -59.135 13 HH12 ARG 617 HH22 ARG 617 16.412 -9.861 -59.166 No H/Q in entry = 13 In of MODEL 2 1 HA PRO 618 HA PRO 618 17.884 -5.616 -54.900 2 HB2 PRO 618 HB2 PRO 618 18.722 -6.078 -52.100 3 HB3 PRO 618 HB3 PRO 618 17.242 -6.582 -52.918 4 HG2 PRO 618 HG2 PRO 618 19.189 -8.334 -52.231 5 HG3 PRO 618 HG3 PRO 618 18.164 -8.576 -53.651 6 HD2 PRO 618 HD2 PRO 618 21.038 -7.698 -53.537 7 HD3 PRO 618 HD3 PRO 618 20.158 -8.639 -54.771 No H/Q in entry = 7 In of MODEL 2 1 H ALA 619 H ALA 619 21.055 -4.986 -53.442 2 HA ALA 619 HA ALA 619 20.452 -2.443 -52.298 3 HB1 ALA 619 HB1 ALA 619 22.890 -2.000 -52.524 4 HB3 ALA 619 HB2 ALA 619 23.041 -3.429 -53.546 5 HB2 ALA 619 HB3 ALA 619 22.575 -3.601 -51.852 No H/Q in entry = 5 In of MODEL 2 1 H ALA 620 H ALA 620 21.789 -3.280 -55.499 2 HA ALA 620 HA ALA 620 21.909 -0.689 -56.596 3 HB3 ALA 620 HB1 ALA 620 22.653 -2.864 -57.706 4 HB2 ALA 620 HB2 ALA 620 21.806 -1.737 -58.772 5 HB1 ALA 620 HB3 ALA 620 20.960 -3.135 -58.119 No H/Q in entry = 5 In of MODEL 2 1 H GLN 621 H GLN 621 19.108 -2.874 -56.387 2 HA GLN 621 HA GLN 621 17.392 -0.996 -57.775 3 HB2 GLN 621 HB2 GLN 621 16.984 -3.499 -57.645 4 HB3 GLN 621 HB3 GLN 621 16.570 -3.298 -55.946 5 HG2 GLN 621 HG2 GLN 621 14.478 -3.255 -57.055 6 HG3 GLN 621 HG3 GLN 621 14.838 -1.550 -56.781 7 HE21 GLN 621 HE21 GLN 621 15.600 -4.024 -59.312 8 HE22 GLN 621 HE22 GLN 621 15.304 -2.978 -60.615 No H/Q in entry = 8 In of MODEL 2 1 H PHE 622 H PHE 622 18.081 -1.764 -54.383 2 HA PHE 622 HA PHE 622 16.101 -0.075 -53.216 3 HB2 PHE 622 HB2 PHE 622 17.431 -1.727 -51.922 4 HB3 PHE 622 HB3 PHE 622 18.861 -0.712 -52.118 5 HD1 PHE 622 HD1 PHE 622 15.429 -0.846 -50.661 6 HD2 PHE 622 HD2 PHE 622 19.195 1.245 -50.762 7 HE1 PHE 622 HE1 PHE 622 14.745 0.485 -48.673 8 HE2 PHE 622 HE2 PHE 622 18.505 2.578 -48.774 9 HZ PHE 622 HZ PHE 622 16.282 2.197 -47.732 No H/Q in entry = 9 In of MODEL 2 1 H VAL 623 H VAL 623 19.570 0.690 -53.955 2 HA VAL 623 HA VAL 623 19.281 3.429 -53.162 3 HB VAL 623 HB VAL 623 21.292 2.141 -55.042 4 HG12 VAL 623 HG11 VAL 623 22.355 4.409 -53.583 5 HG11 VAL 623 HG12 VAL 623 20.877 4.920 -54.384 6 HG13 VAL 623 HG13 VAL 623 22.188 4.217 -55.326 7 HG23 VAL 623 HG21 VAL 623 22.724 2.166 -52.963 8 HG22 VAL 623 HG22 VAL 623 21.338 1.079 -52.870 9 HG21 VAL 623 HG23 VAL 623 21.295 2.640 -52.045 No H/Q in entry = 9 In of MODEL 2 1 H LYS 624 H LYS 624 18.605 1.741 -56.134 2 HA LYS 624 HA LYS 624 18.556 3.983 -57.923 3 HB2 LYS 624 HB2 LYS 624 18.359 1.534 -58.578 4 HB3 LYS 624 HB3 LYS 624 16.674 1.611 -58.066 5 HG2 LYS 624 HG2 LYS 624 16.498 3.666 -59.638 6 HG3 LYS 624 HG3 LYS 624 18.023 3.098 -60.317 7 HD2 LYS 624 HD2 LYS 624 15.390 1.599 -60.221 8 HD3 LYS 624 HD3 LYS 624 16.248 2.161 -61.654 9 HE2 LYS 624 HE2 LYS 624 18.201 0.649 -60.726 10 HE3 LYS 624 HE3 LYS 624 16.900 -0.146 -59.847 11 HZ3 LYS 624 HZ1 LYS 624 16.077 -1.037 -61.706 12 HZ2 LYS 624 HZ2 LYS 624 17.612 -0.723 -62.367 13 HZ1 LYS 624 HZ3 LYS 624 16.334 0.364 -62.630 No H/Q in entry = 13 In of MODEL 2 1 H GLU 625 H GLU 625 15.983 2.570 -55.897 2 HA GLU 625 HA GLU 625 13.923 4.376 -56.706 3 HB2 GLU 625 HB2 GLU 625 13.611 2.213 -55.416 4 HB3 GLU 625 HB3 GLU 625 14.184 3.063 -53.984 5 HG2 GLU 625 HG2 GLU 625 11.857 3.305 -53.811 6 HG3 GLU 625 HG3 GLU 625 12.331 4.818 -54.579 No H/Q in entry = 6 In of MODEL 2 1 H ALA 626 H ALA 626 16.142 4.496 -53.882 2 HA ALA 626 HA ALA 626 15.117 6.889 -52.781 3 HB2 ALA 626 HB1 ALA 626 17.952 5.838 -52.691 4 HB3 ALA 626 HB2 ALA 626 16.659 5.412 -51.571 5 HB1 ALA 626 HB3 ALA 626 17.282 7.062 -51.616 No H/Q in entry = 5 In of MODEL 2 1 H LYS 627 H LYS 627 17.980 6.564 -54.941 2 HA LYS 627 HA LYS 627 18.541 9.321 -55.121 3 HB2 LYS 627 HB2 LYS 627 18.920 7.102 -57.138 4 HB3 LYS 627 HB3 LYS 627 19.449 8.756 -57.455 5 HG2 LYS 627 HG2 LYS 627 20.830 8.706 -55.405 6 HG3 LYS 627 HG3 LYS 627 20.307 7.052 -55.094 7 HD2 LYS 627 HD2 LYS 627 21.333 6.295 -57.173 8 HD3 LYS 627 HD3 LYS 627 21.779 7.944 -57.592 9 HE2 LYS 627 HE2 LYS 627 22.755 6.495 -55.114 10 HE3 LYS 627 HE3 LYS 627 23.673 6.618 -56.615 11 HZ3 LYS 627 HZ1 LYS 627 23.950 8.876 -56.364 12 HZ2 LYS 627 HZ2 LYS 627 24.057 8.339 -54.756 13 HZ1 LYS 627 HZ3 LYS 627 22.619 9.048 -55.326 No H/Q in entry = 13 In of MODEL 2 1 H GLY 628 H GLY 628 15.765 7.685 -56.197 2 HA3 GLY 628 HA2 GLY 628 15.125 9.471 -58.414 3 HA2 GLY 628 HA3 GLY 628 14.012 8.333 -57.649 No H/Q in entry = 3 In of MODEL 2 1 H PHE 629 H PHE 629 14.809 9.537 -54.965 2 HA PHE 629 HA PHE 629 12.970 11.901 -55.091 3 HB2 PHE 629 HB2 PHE 629 13.753 10.105 -52.774 4 HB3 PHE 629 HB3 PHE 629 12.663 11.487 -52.659 5 HD1 PHE 629 HD1 PHE 629 12.780 7.990 -53.109 6 HD2 PHE 629 HD2 PHE 629 10.731 11.503 -54.526 7 HE1 PHE 629 HE1 PHE 629 10.881 6.576 -53.877 8 HE2 PHE 629 HE2 PHE 629 8.836 10.091 -55.292 9 HZ PHE 629 HZ PHE 629 8.913 7.630 -54.969 No H/Q in entry = 9 In of MODEL 2 1 H THR 630 H THR 630 13.673 13.897 -54.231 2 HA THR 630 HA THR 630 16.600 14.115 -53.838 3 HB THR 630 HB THR 630 14.879 16.548 -53.639 4 HG1 THR 630 HG1 THR 630 14.043 14.869 -55.273 5 HG23 THR 630 HG21 THR 630 17.338 16.670 -53.839 6 HG22 THR 630 HG22 THR 630 16.558 17.400 -55.242 7 HG21 THR 630 HG23 THR 630 17.261 15.788 -55.366 No H/Q in entry = 7 In of MODEL 2 1 H SER 631 H SER 631 13.798 13.783 -51.945 2 HA SER 631 HA SER 631 14.422 15.451 -49.710 3 HB2 SER 631 HB2 SER 631 12.984 13.818 -48.430 4 HB3 SER 631 HB3 SER 631 12.226 14.461 -49.886 5 HG SER 631 HG SER 631 12.930 11.907 -49.255 No H/Q in entry = 5 In of MODEL 2 1 H GLU 632 H GLU 632 15.431 14.878 -47.690 2 HA GLU 632 HA GLU 632 17.805 13.260 -47.998 3 HB2 GLU 632 HB2 GLU 632 16.850 15.207 -46.161 4 HB3 GLU 632 HB3 GLU 632 17.095 13.753 -45.197 5 HG2 GLU 632 HG2 GLU 632 19.405 13.577 -46.009 6 HG3 GLU 632 HG3 GLU 632 19.169 14.984 -47.042 No H/Q in entry = 6 In of MODEL 2 1 H ILE 633 H ILE 633 18.068 11.103 -47.555 2 HA ILE 633 HA ILE 633 15.890 9.685 -46.052 3 HB ILE 633 HB ILE 633 17.322 8.648 -48.520 4 HG12 ILE 633 HG12 ILE 633 14.415 9.486 -48.207 5 HG13 ILE 633 HG13 ILE 633 15.661 10.508 -48.917 6 HG21 ILE 633 HG21 ILE 633 16.093 7.216 -46.417 7 HG23 ILE 633 HG22 ILE 633 16.436 6.597 -48.027 8 HG22 ILE 633 HG23 ILE 633 14.854 7.276 -47.665 9 HD11 ILE 633 HD11 ILE 633 15.165 7.712 -49.942 10 HD13 ILE 633 HD12 ILE 633 15.999 9.045 -50.742 11 HD12 ILE 633 HD13 ILE 633 14.248 9.093 -50.543 No H/Q in entry = 11 In of MODEL 2 1 H THR 634 H THR 634 16.660 8.429 -44.440 2 HA THR 634 HA THR 634 19.555 7.636 -44.474 3 HB THR 634 HB THR 634 18.007 8.420 -41.996 4 HG1 THR 634 HG1 THR 634 19.922 9.963 -43.394 5 HG21 THR 634 HG21 THR 634 20.147 6.897 -41.995 6 HG23 THR 634 HG22 THR 634 20.049 8.238 -40.861 7 HG22 THR 634 HG23 THR 634 20.995 8.404 -42.343 No H/Q in entry = 7 In of MODEL 2 1 H VAL 635 H VAL 635 19.991 5.599 -43.564 2 HA VAL 635 HA VAL 635 17.603 3.884 -42.950 3 HB VAL 635 HB VAL 635 20.306 3.074 -44.096 4 HG13 VAL 635 HG11 VAL 635 19.666 0.870 -43.910 5 HG12 VAL 635 HG12 VAL 635 17.966 1.223 -44.223 6 HG11 VAL 635 HG13 VAL 635 18.636 1.473 -42.616 7 HG22 VAL 635 HG21 VAL 635 19.115 4.234 -45.806 8 HG21 VAL 635 HG22 VAL 635 17.587 3.468 -45.365 9 HG23 VAL 635 HG23 VAL 635 18.864 2.518 -46.126 No H/Q in entry = 9 In of MODEL 2 1 H THR 636 H THR 636 17.787 2.741 -40.962 2 HA THR 636 HA THR 636 20.349 3.134 -39.455 3 HB THR 636 HB THR 636 17.552 3.412 -38.324 4 HG1 THR 636 HG1 THR 636 19.441 5.202 -39.304 5 HG21 THR 636 HG21 THR 636 20.030 2.794 -37.034 6 HG23 THR 636 HG22 THR 636 18.505 3.233 -36.264 7 HG22 THR 636 HG23 THR 636 19.674 4.484 -36.680 No H/Q in entry = 7 In of MODEL 2 1 H SER 637 H SER 637 21.160 1.188 -38.857 2 HA SER 637 HA SER 637 19.256 -1.004 -38.150 3 HB2 SER 637 HB2 SER 637 20.251 -2.543 -39.590 4 HB3 SER 637 HB3 SER 637 20.322 -1.078 -40.565 5 HG SER 637 HG SER 637 22.407 -1.293 -40.519 No H/Q in entry = 5 In of MODEL 2 1 H ASN 638 H ASN 638 19.759 -1.729 -36.193 2 HA ASN 638 HA ASN 638 20.967 -1.967 -34.166 3 HB2 ASN 638 HB2 ASN 638 22.401 -3.402 -36.367 4 HB3 ASN 638 HB3 ASN 638 23.188 -3.345 -34.790 5 HD21 ASN 638 HD21 ASN 638 22.782 -5.722 -34.626 6 HD22 ASN 638 HD22 ASN 638 21.244 -6.283 -34.183 No H/Q in entry = 6 In of MODEL 2 1 H GLY 639 H GLY 639 21.358 0.587 -34.331 2 HA3 GLY 639 HA2 GLY 639 22.843 2.227 -33.609 3 HA2 GLY 639 HA3 GLY 639 24.034 0.960 -33.381 No H/Q in entry = 3 In of MODEL 2 1 H LYS 640 H LYS 640 23.397 0.545 -36.544 2 HA LYS 640 HA LYS 640 25.458 2.594 -37.357 3 HB2 LYS 640 HB2 LYS 640 24.866 -0.179 -38.414 4 HB3 LYS 640 HB3 LYS 640 25.877 0.982 -39.271 5 HG2 LYS 640 HG2 LYS 640 27.384 1.129 -37.323 6 HG3 LYS 640 HG3 LYS 640 26.377 -0.036 -36.462 7 HD2 LYS 640 HD2 LYS 640 26.970 -1.808 -37.902 8 HD3 LYS 640 HD3 LYS 640 27.522 -0.719 -39.170 9 HE2 LYS 640 HE2 LYS 640 29.449 -1.751 -38.071 10 HE3 LYS 640 HE3 LYS 640 29.419 -0.025 -37.716 11 HZ1 LYS 640 HZ1 LYS 640 28.047 -1.843 -35.875 12 HZ3 LYS 640 HZ2 LYS 640 28.853 -0.380 -35.559 13 HZ2 LYS 640 HZ3 LYS 640 29.743 -1.800 -35.837 No H/Q in entry = 13 In of MODEL 2 1 H SER 641 H SER 641 24.706 4.189 -38.685 2 HA SER 641 HA SER 641 22.327 3.585 -40.396 3 HB2 SER 641 HB2 SER 641 22.552 6.415 -39.935 4 HB3 SER 641 HB3 SER 641 21.264 5.338 -39.407 5 HG SER 641 HG SER 641 23.285 6.456 -37.997 No H/Q in entry = 5 In of MODEL 2 1 H ALA 642 H ALA 642 22.344 4.315 -42.500 2 HA ALA 642 HA ALA 642 24.793 5.761 -43.441 3 HB2 ALA 642 HB1 ALA 642 24.731 3.074 -43.642 4 HB3 ALA 642 HB2 ALA 642 25.489 4.084 -44.866 5 HB1 ALA 642 HB3 ALA 642 23.865 3.465 -45.127 No H/Q in entry = 5 In of MODEL 2 1 H SER 643 H SER 643 24.551 6.524 -45.713 2 HA SER 643 HA SER 643 21.845 7.622 -46.112 3 HB2 SER 643 HB2 SER 643 24.517 8.464 -46.652 4 HB3 SER 643 HB3 SER 643 23.702 8.361 -48.204 5 HG SER 643 HG SER 643 22.603 9.626 -45.909 No H/Q in entry = 5 In of MODEL 2 1 H ALA 644 H ALA 644 20.405 6.853 -47.653 2 HA ALA 644 HA ALA 644 21.011 4.434 -49.078 3 HB1 ALA 644 HB1 ALA 644 18.731 4.914 -48.340 4 HB3 ALA 644 HB2 ALA 644 18.763 4.776 -50.099 5 HB2 ALA 644 HB3 ALA 644 18.693 6.367 -49.341 No H/Q in entry = 5 In of MODEL 2 1 H LYS 645 H LYS 645 21.536 7.739 -49.779 2 HA LYS 645 HA LYS 645 21.625 7.275 -52.721 3 HB2 LYS 645 HB2 LYS 645 22.085 9.625 -52.943 4 HB3 LYS 645 HB3 LYS 645 20.764 9.478 -51.786 5 HG2 LYS 645 HG2 LYS 645 22.706 9.432 -50.007 6 HG3 LYS 645 HG3 LYS 645 23.654 10.181 -51.289 7 HD2 LYS 645 HD2 LYS 645 20.995 11.241 -50.271 8 HD3 LYS 645 HD3 LYS 645 22.565 11.829 -49.744 9 HE2 LYS 645 HE2 LYS 645 21.758 11.817 -52.661 10 HE3 LYS 645 HE3 LYS 645 21.426 13.173 -51.595 11 HZ2 LYS 645 HZ1 LYS 645 23.654 12.991 -52.963 12 HZ1 LYS 645 HZ2 LYS 645 24.142 12.113 -51.594 13 HZ3 LYS 645 HZ3 LYS 645 23.599 13.715 -51.429 No H/Q in entry = 13 In of MODEL 2 1 H SER 646 H SER 646 23.270 6.058 -50.566 2 HA SER 646 HA SER 646 25.916 6.480 -51.890 3 HB2 SER 646 HB2 SER 646 25.393 6.840 -48.944 4 HB3 SER 646 HB3 SER 646 27.007 6.502 -49.572 5 HG SER 646 HG SER 646 26.714 8.718 -49.469 No H/Q in entry = 5 In of MODEL 2 1 H LEU 647 H LEU 647 25.763 4.424 -52.751 2 HA LEU 647 HA LEU 647 25.169 2.053 -51.353 3 HB2 LEU 647 HB2 LEU 647 25.322 2.268 -53.828 4 HB3 LEU 647 HB3 LEU 647 27.058 2.443 -53.650 5 HG LEU 647 HG LEU 647 27.247 0.194 -52.714 6 HD13 LEU 647 HD11 LEU 647 25.177 -0.172 -51.576 7 HD12 LEU 647 HD12 LEU 647 25.132 -1.274 -52.948 8 HD11 LEU 647 HD13 LEU 647 24.233 0.244 -53.009 9 HD21 LEU 647 HD21 LEU 647 27.020 0.791 -55.303 10 HD23 LEU 647 HD22 LEU 647 25.542 -0.151 -55.180 11 HD22 LEU 647 HD23 LEU 647 27.092 -0.891 -54.782 No H/Q in entry = 11 In of MODEL 2 1 H PHE 648 H PHE 648 28.163 3.858 -51.733 2 HA PHE 648 HA PHE 648 30.018 1.973 -50.758 3 HB2 PHE 648 HB2 PHE 648 29.943 4.965 -50.268 4 HB3 PHE 648 HB3 PHE 648 31.339 3.934 -49.975 5 HD1 PHE 648 HD1 PHE 648 29.880 6.115 -52.298 6 HD2 PHE 648 HD2 PHE 648 31.967 2.349 -52.089 7 HE1 PHE 648 HE1 PHE 648 30.603 6.388 -54.654 8 HE2 PHE 648 HE2 PHE 648 32.695 2.639 -54.457 9 HZ PHE 648 HZ PHE 648 32.017 4.646 -55.734 No H/Q in entry = 9 In of MODEL 2 1 H LYS 649 H LYS 649 28.196 4.434 -48.849 2 HA LYS 649 HA LYS 649 29.203 3.403 -46.359 3 HB2 LYS 649 HB2 LYS 649 26.736 5.110 -46.840 4 HB3 LYS 649 HB3 LYS 649 27.584 4.898 -45.305 5 HG2 LYS 649 HG2 LYS 649 29.691 5.723 -46.596 6 HG3 LYS 649 HG3 LYS 649 28.536 6.318 -47.791 7 HD2 LYS 649 HD2 LYS 649 28.346 7.019 -44.845 8 HD3 LYS 649 HD3 LYS 649 29.256 7.985 -45.998 9 HE2 LYS 649 HE2 LYS 649 26.588 7.439 -47.036 10 HE3 LYS 649 HE3 LYS 649 26.502 8.207 -45.454 11 HZ1 LYS 649 HZ1 LYS 649 28.490 9.564 -46.728 12 HZ3 LYS 649 HZ2 LYS 649 26.886 10.094 -46.531 13 HZ2 LYS 649 HZ3 LYS 649 27.352 9.303 -47.960 No H/Q in entry = 13 In of MODEL 2 1 H LEU 650 H LEU 650 26.165 2.823 -48.164 2 HA LEU 650 HA LEU 650 24.812 1.352 -46.203 3 HB2 LEU 650 HB2 LEU 650 24.909 0.827 -49.187 4 HB3 LEU 650 HB3 LEU 650 23.867 -0.082 -48.101 5 HG LEU 650 HG LEU 650 23.784 2.940 -48.221 6 HD11 LEU 650 HD11 LEU 650 22.613 0.923 -50.116 7 HD13 LEU 650 HD12 LEU 650 23.150 2.573 -50.420 8 HD12 LEU 650 HD13 LEU 650 21.596 2.289 -49.659 9 HD22 LEU 650 HD21 LEU 650 21.874 2.766 -46.910 10 HD21 LEU 650 HD22 LEU 650 22.647 1.276 -46.389 11 HD23 LEU 650 HD23 LEU 650 21.393 1.221 -47.613 No H/Q in entry = 11 In of MODEL 2 1 H GLN 651 H GLN 651 27.127 -0.032 -48.572 2 HA GLN 651 HA GLN 651 27.197 -2.652 -47.805 3 HB2 GLN 651 HB2 GLN 651 29.277 -0.743 -48.745 4 HB3 GLN 651 HB3 GLN 651 29.911 -2.199 -47.995 5 HG2 GLN 651 HG2 GLN 651 29.718 -2.633 -50.344 6 HG3 GLN 651 HG3 GLN 651 28.443 -3.539 -49.537 7 HE21 GLN 651 HE21 GLN 651 28.352 -2.662 -52.327 8 HE22 GLN 651 HE22 GLN 651 27.046 -1.587 -52.470 No H/Q in entry = 8 In of MODEL 2 1 H THR 652 H THR 652 28.016 -0.009 -45.686 2 HA THR 652 HA THR 652 29.590 -1.722 -43.898 3 HB THR 652 HB THR 652 29.765 0.258 -42.488 4 HG1 THR 652 HG1 THR 652 28.512 1.996 -42.809 5 HG23 THR 652 HG21 THR 652 31.271 0.180 -44.366 6 HG22 THR 652 HG22 THR 652 30.697 1.841 -44.199 7 HG21 THR 652 HG23 THR 652 30.024 0.797 -45.454 No H/Q in entry = 7 In of MODEL 2 1 H LEU 653 H LEU 653 26.270 -1.245 -44.428 2 HA LEU 653 HA LEU 653 25.560 -1.841 -41.592 3 HB2 LEU 653 HB2 LEU 653 23.668 -1.586 -43.942 4 HB3 LEU 653 HB3 LEU 653 23.274 -1.515 -42.228 5 HG LEU 653 HG LEU 653 24.906 0.486 -43.786 6 HD12 LEU 653 HD11 LEU 653 22.560 1.507 -42.342 7 HD11 LEU 653 HD12 LEU 653 22.096 0.231 -43.460 8 HD13 LEU 653 HD13 LEU 653 22.952 1.644 -44.053 9 HD22 LEU 653 HD21 LEU 653 25.904 0.469 -41.657 10 HD21 LEU 653 HD22 LEU 653 24.368 0.166 -40.838 11 HD23 LEU 653 HD23 LEU 653 24.705 1.754 -41.524 No H/Q in entry = 11 In of MODEL 2 1 H GLY 654 H GLY 654 25.560 -3.966 -41.031 2 HA3 GLY 654 HA2 GLY 654 25.485 -6.069 -43.046 3 HA2 GLY 654 HA3 GLY 654 25.466 -6.321 -41.298 No H/Q in entry = 3 In of MODEL 2 1 H LEU 655 H LEU 655 23.464 -5.815 -44.141 2 HA LEU 655 HA LEU 655 20.983 -6.044 -42.490 3 HB2 LEU 655 HB2 LEU 655 21.218 -5.505 -45.464 4 HB3 LEU 655 HB3 LEU 655 19.804 -5.277 -44.440 5 HG LEU 655 HG LEU 655 22.405 -3.725 -44.311 6 HD11 LEU 655 HD11 LEU 655 20.729 -3.142 -46.110 7 HD13 LEU 655 HD12 LEU 655 21.067 -1.833 -44.978 8 HD12 LEU 655 HD13 LEU 655 19.579 -2.768 -44.825 9 HD21 LEU 655 HD21 LEU 655 20.039 -3.857 -42.441 10 HD23 LEU 655 HD22 LEU 655 21.001 -2.386 -42.568 11 HD22 LEU 655 HD23 LEU 655 21.758 -3.889 -42.050 No H/Q in entry = 11 In of MODEL 2 1 H THR 656 H THR 656 21.037 -8.303 -42.020 2 HA THR 656 HA THR 656 21.243 -10.203 -44.281 3 HB THR 656 HB THR 656 21.253 -11.923 -42.511 4 HG1 THR 656 HG1 THR 656 21.486 -10.270 -40.413 5 HG23 THR 656 HG21 THR 656 23.475 -11.370 -42.701 6 HG22 THR 656 HG22 THR 656 23.229 -10.620 -41.126 7 HG21 THR 656 HG23 THR 656 23.158 -9.637 -42.586 No H/Q in entry = 7 In of MODEL 2 1 H GLN 657 H GLN 657 19.642 -12.183 -43.958 2 HA GLN 657 HA GLN 657 16.993 -11.218 -44.545 3 HB2 GLN 657 HB2 GLN 657 17.435 -13.229 -45.608 4 HB3 GLN 657 HB3 GLN 657 18.303 -13.890 -44.234 5 HG2 GLN 657 HG2 GLN 657 16.100 -15.004 -44.608 6 HG3 GLN 657 HG3 GLN 657 16.217 -14.249 -43.024 7 HE21 GLN 657 HE21 GLN 657 13.859 -14.034 -42.928 8 HE22 GLN 657 HE22 GLN 657 13.060 -12.861 -43.852 No H/Q in entry = 8 In of MODEL 2 1 H GLY 658 H GLY 658 15.647 -10.415 -43.009 2 HA3 GLY 658 HA2 GLY 658 14.134 -10.855 -41.149 3 HA2 GLY 658 HA3 GLY 658 15.342 -11.943 -40.465 No H/Q in entry = 3 In of MODEL 2 1 H THR 659 H THR 659 16.795 -9.153 -41.678 2 HA THR 659 HA THR 659 17.311 -8.199 -38.938 3 HB THR 659 HB THR 659 18.312 -7.003 -41.529 4 HG1 THR 659 HG1 THR 659 20.144 -8.503 -40.420 5 HG22 THR 659 HG21 THR 659 19.746 -7.106 -38.883 6 HG21 THR 659 HG22 THR 659 18.539 -5.862 -39.190 7 HG23 THR 659 HG23 THR 659 19.962 -5.976 -40.220 No H/Q in entry = 7 In of MODEL 2 1 H VAL 660 H VAL 660 15.706 -6.961 -38.088 2 HA VAL 660 HA VAL 660 14.006 -5.285 -39.733 3 HB VAL 660 HB VAL 660 14.346 -5.167 -36.724 4 HG12 VAL 660 HG11 VAL 660 11.928 -4.372 -36.903 5 HG11 VAL 660 HG12 VAL 660 12.207 -4.205 -38.639 6 HG13 VAL 660 HG13 VAL 660 13.153 -3.249 -37.498 7 HG23 VAL 660 HG21 VAL 660 11.978 -6.613 -37.718 8 HG22 VAL 660 HG22 VAL 660 13.163 -7.118 -36.522 9 HG21 VAL 660 HG23 VAL 660 13.475 -7.391 -38.230 No H/Q in entry = 9 In of MODEL 2 1 H VAL 661 H VAL 661 14.640 -3.483 -40.622 2 HA VAL 661 HA VAL 661 16.687 -1.772 -39.254 3 HB VAL 661 HB VAL 661 17.190 -0.930 -41.470 4 HG13 VAL 661 HG11 VAL 661 18.280 -3.038 -40.897 5 HG12 VAL 661 HG12 VAL 661 17.879 -3.029 -42.616 6 HG11 VAL 661 HG13 VAL 661 16.881 -3.941 -41.485 7 HG21 VAL 661 HG21 VAL 661 14.750 -2.523 -42.269 8 HG23 VAL 661 HG22 VAL 661 15.946 -1.993 -43.454 9 HG22 VAL 661 HG23 VAL 661 15.049 -0.802 -42.512 No H/Q in entry = 9 In of MODEL 2 1 H THR 662 H THR 662 16.269 0.649 -40.040 2 HA THR 662 HA THR 662 13.342 1.214 -40.083 3 HB THR 662 HB THR 662 15.308 2.779 -38.393 4 HG1 THR 662 HG1 THR 662 14.792 1.503 -36.824 5 HG21 THR 662 HG21 THR 662 12.813 3.524 -39.506 6 HG23 THR 662 HG22 THR 662 13.637 4.327 -38.172 7 HG22 THR 662 HG23 THR 662 12.443 3.069 -37.843 No H/Q in entry = 7 In of MODEL 2 1 H ILE 663 H ILE 663 12.848 2.613 -41.690 2 HA ILE 663 HA ILE 663 15.138 4.006 -43.026 3 HB ILE 663 HB ILE 663 12.309 3.441 -43.990 4 HG12 ILE 663 HG12 ILE 663 14.865 2.160 -44.991 5 HG13 ILE 663 HG13 ILE 663 13.949 1.461 -43.659 6 HG23 ILE 663 HG21 ILE 663 13.035 4.290 -46.119 7 HG22 ILE 663 HG22 ILE 663 14.713 4.376 -45.587 8 HG21 ILE 663 HG23 ILE 663 13.522 5.486 -44.931 9 HD12 ILE 663 HD11 ILE 663 12.877 2.026 -46.439 10 HD11 ILE 663 HD12 ILE 663 11.939 1.375 -45.097 11 HD13 ILE 663 HD13 ILE 663 13.267 0.442 -45.780 No H/Q in entry = 11 In of MODEL 2 1 H SER 664 H SER 664 15.295 6.101 -42.415 2 HA SER 664 HA SER 664 12.786 7.570 -41.627 3 HB2 SER 664 HB2 SER 664 14.562 9.029 -40.338 4 HB3 SER 664 HB3 SER 664 14.006 7.510 -39.640 5 HG SER 664 HG SER 664 15.851 6.512 -40.574 No H/Q in entry = 5 In of MODEL 2 1 H ALA 665 H ALA 665 12.368 9.400 -42.829 2 HA ALA 665 HA ALA 665 14.612 10.687 -44.316 3 HB2 ALA 665 HB1 ALA 665 12.021 9.820 -45.629 4 HB1 ALA 665 HB2 ALA 665 13.565 8.985 -45.819 5 HB3 ALA 665 HB3 ALA 665 13.374 10.636 -46.409 No H/Q in entry = 5 In of MODEL 2 1 H GLU 666 H GLU 666 14.166 12.867 -44.893 2 HA GLU 666 HA GLU 666 11.573 14.042 -44.039 3 HB2 GLU 666 HB2 GLU 666 13.056 14.192 -42.052 4 HB3 GLU 666 HB3 GLU 666 14.265 15.019 -43.029 5 HG2 GLU 666 HG2 GLU 666 12.688 16.855 -43.459 6 HG3 GLU 666 HG3 GLU 666 11.449 16.022 -42.526 No H/Q in entry = 6 In of MODEL 2 1 H GLY 667 H GLY 667 10.951 15.404 -45.685 2 HA3 GLY 667 HA2 GLY 667 12.319 17.496 -46.807 3 HA2 GLY 667 HA3 GLY 667 12.893 16.123 -47.749 No H/Q in entry = 3 In of MODEL 2 1 H GLU 668 H GLU 668 11.906 17.210 -49.516 2 HA GLU 668 HA GLU 668 9.147 17.848 -49.778 3 HB2 GLU 668 HB2 GLU 668 10.778 18.601 -51.419 4 HB3 GLU 668 HB3 GLU 668 11.055 16.942 -51.950 5 HG2 GLU 668 HG2 GLU 668 8.760 16.754 -52.744 6 HG3 GLU 668 HG3 GLU 668 8.356 18.326 -52.050 No H/Q in entry = 6 In of MODEL 2 1 H ASP 669 H ASP 669 10.720 14.755 -50.823 2 HA ASP 669 HA ASP 669 7.963 13.621 -51.114 3 HB2 ASP 669 HB2 ASP 669 10.652 12.773 -52.210 4 HB3 ASP 669 HB3 ASP 669 9.183 11.802 -52.372 No H/Q in entry = 4 In of MODEL 2 1 H GLU 670 H GLU 670 10.032 13.799 -48.669 2 HA GLU 670 HA GLU 670 10.894 11.381 -47.756 3 HB2 GLU 670 HB2 GLU 670 10.438 12.122 -45.488 4 HB3 GLU 670 HB3 GLU 670 10.931 13.501 -46.460 5 HG2 GLU 670 HG2 GLU 670 8.471 13.981 -46.857 6 HG3 GLU 670 HG3 GLU 670 8.116 12.752 -45.643 No H/Q in entry = 6 In of MODEL 2 1 H GLN 671 H GLN 671 7.447 12.287 -47.920 2 HA GLN 671 HA GLN 671 6.526 10.030 -46.383 3 HB2 GLN 671 HB2 GLN 671 5.071 11.627 -48.505 4 HB3 GLN 671 HB3 GLN 671 4.314 10.541 -47.343 5 HG2 GLN 671 HG2 GLN 671 5.106 11.931 -45.489 6 HG3 GLN 671 HG3 GLN 671 5.935 12.997 -46.623 7 HE21 GLN 671 HE21 GLN 671 4.343 14.603 -45.451 8 HE22 GLN 671 HE22 GLN 671 2.813 14.793 -46.164 No H/Q in entry = 8 In of MODEL 2 1 H LYS 672 H LYS 672 6.900 10.534 -49.892 2 HA LYS 672 HA LYS 672 5.807 7.959 -50.603 3 HB2 LYS 672 HB2 LYS 672 7.682 9.839 -52.070 4 HB3 LYS 672 HB3 LYS 672 6.980 8.390 -52.791 5 HG2 LYS 672 HG2 LYS 672 4.733 9.239 -52.466 6 HG3 LYS 672 HG3 LYS 672 5.346 10.625 -51.561 7 HD2 LYS 672 HD2 LYS 672 6.608 11.341 -53.606 8 HD3 LYS 672 HD3 LYS 672 5.851 10.017 -54.492 9 HE2 LYS 672 HE2 LYS 672 4.161 12.027 -53.003 10 HE3 LYS 672 HE3 LYS 672 4.760 12.378 -54.623 11 HZ1 LYS 672 HZ1 LYS 672 3.776 9.814 -54.745 12 HZ3 LYS 672 HZ2 LYS 672 3.057 11.215 -55.383 13 HZ2 LYS 672 HZ3 LYS 672 2.632 10.672 -53.831 No H/Q in entry = 13 In of MODEL 2 1 H ALA 673 H ALA 673 9.151 9.167 -50.411 2 HA ALA 673 HA ALA 673 10.577 6.896 -51.014 3 HB1 ALA 673 HB1 ALA 673 11.093 9.089 -49.019 4 HB3 ALA 673 HB2 ALA 673 11.826 8.838 -50.603 5 HB2 ALA 673 HB3 ALA 673 12.264 7.789 -49.254 No H/Q in entry = 5 In of MODEL 2 1 H VAL 674 H VAL 674 8.947 7.507 -47.883 2 HA VAL 674 HA VAL 674 10.130 5.058 -46.753 3 HB VAL 674 HB VAL 674 7.899 6.803 -45.657 4 HG11 VAL 674 HG11 VAL 674 9.256 4.291 -44.686 5 HG13 VAL 674 HG12 VAL 674 7.568 4.775 -44.541 6 HG12 VAL 674 HG13 VAL 674 8.784 5.499 -43.493 7 HG23 VAL 674 HG21 VAL 674 9.677 7.586 -44.108 8 HG22 VAL 674 HG22 VAL 674 10.070 7.958 -45.787 9 HG21 VAL 674 HG23 VAL 674 10.854 6.600 -44.977 No H/Q in entry = 9 In of MODEL 2 1 H GLU 675 H GLU 675 7.012 6.027 -48.161 2 HA GLU 675 HA GLU 675 5.714 3.539 -47.511 3 HB2 GLU 675 HB2 GLU 675 5.081 5.652 -49.586 4 HB3 GLU 675 HB3 GLU 675 4.074 4.230 -49.325 5 HG2 GLU 675 HG2 GLU 675 4.096 4.994 -46.806 6 HG3 GLU 675 HG3 GLU 675 4.586 6.551 -47.470 No H/Q in entry = 6 In of MODEL 2 1 H HIS 676 H HIS 676 7.586 4.587 -50.383 2 HA HIS 676 HA HIS 676 6.968 2.079 -51.766 3 HB2 HIS 676 HB2 HIS 676 7.882 4.622 -52.535 4 HB3 HIS 676 HB3 HIS 676 9.238 3.536 -52.832 5 HD1 HIS 676 HD1 HIS 676 8.507 1.234 -54.184 6 HD2 HIS 676 HD2 HIS 676 5.977 4.530 -54.534 7 HE1 HIS 676 HE1 HIS 676 7.060 0.812 -56.221 8 HE2 HIS 676 HE2 HIS 676 5.511 2.813 -56.446 No H/Q in entry = 8 In of MODEL 2 1 H LEU 677 H LEU 677 9.879 3.520 -50.222 2 HA LEU 677 HA LEU 677 11.602 1.313 -50.760 3 HB2 LEU 677 HB2 LEU 677 11.613 3.239 -48.420 4 HB3 LEU 677 HB3 LEU 677 12.905 2.098 -48.760 5 HG LEU 677 HG LEU 677 11.966 4.210 -50.725 6 HD12 LEU 677 HD11 LEU 677 14.396 4.231 -48.909 7 HD11 LEU 677 HD12 LEU 677 12.945 5.203 -48.658 8 HD13 LEU 677 HD13 LEU 677 13.957 5.476 -50.077 9 HD23 LEU 677 HD21 LEU 677 14.379 3.669 -51.606 10 HD22 LEU 677 HD22 LEU 677 13.080 2.536 -51.974 11 HD21 LEU 677 HD23 LEU 677 14.211 2.188 -50.672 No H/Q in entry = 11 In of MODEL 2 1 H VAL 678 H VAL 678 9.294 1.885 -48.139 2 HA VAL 678 HA VAL 678 10.060 -0.373 -46.553 3 HB VAL 678 HB VAL 678 7.451 1.143 -46.812 4 HG11 VAL 678 HG11 VAL 678 8.141 -1.305 -45.202 5 HG13 VAL 678 HG12 VAL 678 6.656 -0.935 -46.078 6 HG12 VAL 678 HG13 VAL 678 7.003 -0.124 -44.551 7 HG21 VAL 678 HG21 VAL 678 9.648 2.072 -45.721 8 HG23 VAL 678 HG22 VAL 678 9.254 0.966 -44.407 9 HG22 VAL 678 HG23 VAL 678 8.127 2.248 -44.844 No H/Q in entry = 9 In of MODEL 2 1 H LYS 679 H LYS 679 7.665 -0.044 -49.207 2 HA LYS 679 HA LYS 679 6.903 -2.840 -49.043 3 HB2 LYS 679 HB2 LYS 679 5.669 -0.822 -50.203 4 HB3 LYS 679 HB3 LYS 679 6.700 -1.225 -51.575 5 HG2 LYS 679 HG2 LYS 679 5.871 -3.511 -51.592 6 HG3 LYS 679 HG3 LYS 679 4.914 -3.204 -50.143 7 HD2 LYS 679 HD2 LYS 679 3.278 -2.841 -51.726 8 HD3 LYS 679 HD3 LYS 679 3.965 -1.216 -51.665 9 HE2 LYS 679 HE2 LYS 679 3.858 -1.815 -53.980 10 HE3 LYS 679 HE3 LYS 679 5.550 -1.942 -53.508 11 HZ1 LYS 679 HZ1 LYS 679 3.873 -4.317 -53.227 12 HZ3 LYS 679 HZ2 LYS 679 5.518 -4.193 -53.629 13 HZ2 LYS 679 HZ3 LYS 679 4.331 -3.862 -54.794 No H/Q in entry = 13 In of MODEL 2 1 H LEU 680 H LEU 680 8.896 -1.023 -51.411 2 HA LEU 680 HA LEU 680 9.908 -3.173 -52.850 3 HB2 LEU 680 HB2 LEU 680 10.255 -0.760 -53.386 4 HB3 LEU 680 HB3 LEU 680 11.385 -0.642 -52.048 5 HG LEU 680 HG LEU 680 12.794 -2.407 -53.152 6 HD12 LEU 680 HD11 LEU 680 12.279 -2.579 -55.730 7 HD11 LEU 680 HD12 LEU 680 10.644 -2.124 -55.259 8 HD13 LEU 680 HD13 LEU 680 11.363 -3.599 -54.622 9 HD21 LEU 680 HD21 LEU 680 13.281 0.001 -53.379 10 HD23 LEU 680 HD22 LEU 680 12.227 0.083 -54.790 11 HD22 LEU 680 HD23 LEU 680 13.709 -0.869 -54.852 No H/Q in entry = 11 In of MODEL 2 1 H MET 681 H MET 681 10.892 -2.039 -49.660 2 HA MET 681 HA MET 681 13.247 -3.783 -49.578 3 HB2 MET 681 HB2 MET 681 13.220 -1.802 -48.116 4 HB3 MET 681 HB3 MET 681 11.784 -2.423 -47.300 5 HG2 MET 681 HG2 MET 681 12.988 -4.321 -46.437 6 HG3 MET 681 HG3 MET 681 14.386 -3.972 -47.447 7 HE1 MET 681 HE1 MET 681 15.459 -1.942 -47.576 8 HE3 MET 681 HE2 MET 681 16.533 -1.985 -46.182 9 HE2 MET 681 HE3 MET 681 15.480 -0.594 -46.432 No H/Q in entry = 9 In of MODEL 2 1 H ALA 682 H ALA 682 9.887 -3.907 -48.523 2 HA ALA 682 HA ALA 682 10.206 -6.576 -47.360 3 HB3 ALA 682 HB1 ALA 682 8.550 -5.194 -46.327 4 HB1 ALA 682 HB2 ALA 682 7.667 -6.438 -47.212 5 HB2 ALA 682 HB3 ALA 682 7.805 -4.811 -47.878 No H/Q in entry = 5 In of MODEL 2 1 H GLU 683 H GLU 683 9.988 -5.442 -50.532 2 HA GLU 683 HA GLU 683 8.620 -7.945 -51.421 3 HB2 GLU 683 HB2 GLU 683 8.681 -5.193 -52.524 4 HB3 GLU 683 HB3 GLU 683 8.655 -6.519 -53.690 5 HG2 GLU 683 HG2 GLU 683 6.745 -7.492 -52.222 6 HG3 GLU 683 HG3 GLU 683 6.637 -5.870 -51.544 No H/Q in entry = 6 In of MODEL 2 1 H LEU 684 H LEU 684 11.733 -6.791 -51.094 2 HA LEU 684 HA LEU 684 12.712 -7.873 -53.644 3 HB2 LEU 684 HB2 LEU 684 13.820 -6.291 -51.463 4 HB3 LEU 684 HB3 LEU 684 14.913 -7.591 -51.941 5 HG LEU 684 HG LEU 684 13.590 -5.817 -53.996 6 HD11 LEU 684 HD11 LEU 684 15.867 -5.228 -52.176 7 HD13 LEU 684 HD12 LEU 684 14.752 -4.124 -52.979 8 HD12 LEU 684 HD13 LEU 684 16.097 -4.825 -53.877 9 HD21 LEU 684 HD21 LEU 684 15.836 -7.807 -53.886 10 HD23 LEU 684 HD22 LEU 684 15.910 -6.505 -55.073 11 HD22 LEU 684 HD23 LEU 684 14.556 -7.634 -55.086 No H/Q in entry = 11 In of MODEL 2 1 H GLU 685 H GLU 685 13.327 -9.928 -53.981 2 HA GLU 685 HA GLU 685 13.341 -11.799 -51.669 3 HB2 GLU 685 HB2 GLU 685 12.899 -12.246 -54.633 4 HB3 GLU 685 HB3 GLU 685 13.035 -13.555 -53.459 5 HG2 GLU 685 HG2 GLU 685 11.103 -12.758 -52.242 6 HG3 GLU 685 HG3 GLU 685 11.026 -11.298 -53.221 No H/Q in entry = 6
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