REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3clb_1_C DATA FIRST_RESID 1 DATA SEQUENCE MSLFKIRMPE TVAEGTRLAL RAFSLVVAVD ERGGIGDGRS IPWNVPEDMK DATA SEQUENCE FFRDVTTKLR GKNVKPSPAK RNAVVMGRKT WDSIPPKFRP LPGRLNVVLS DATA SEQUENCE STLTTQHLLD GLPDEXXXXX HADSIVAVNG GLEQALQLLA SPNYTPSIET DATA SEQUENCE VYCIGGGSVY AEALRPPCVH LLQAIYRTTI RASESSCSVF FRVPESGTEA DATA SEQUENCE AAGIEWQRET ISEELTSANG NETKYYFEKL IPRNREEEQY LSLVDRIIRE DATA SEQUENCE GNVKHDRTGV GTLSIFGAQM RFSLRNNRLP LLTTKRVFWR GVCEELLWFL DATA SEQUENCE RGETYAKKLS DKGVHIWDDN GSRAFLDSRG LTEYEEMDLG PVYGFQWRHF DATA SEQUENCE GAAYTHHDAN YDGQGVDQIK AIVETLKTNP DDRRMLFTAW NPSALPRMAL DATA SEQUENCE PPCHLLAQFY VSNGELSCML YQRSCDMGLG VPFNIASYAL LTILIAKATG DATA SEQUENCE LRPGELVHTL GDAHVYSNHV EPCNEQLKRV PRAFPYLVFR REREFLEDYE DATA SEQUENCE EGDMEVIDYA PYPPI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.165 176.300 -0.225 0.000 1.140 1 M CA 0.000 55.194 55.300 -0.177 0.000 0.988 1 M CB 0.000 32.559 32.600 -0.068 0.000 1.302 2 S N 0.400 116.042 115.700 -0.098 0.000 3.502 2 S HA -0.162 4.308 4.470 0.001 0.000 0.850 2 S C 0.240 174.738 174.600 -0.169 0.000 1.225 2 S CA 0.713 58.890 58.200 -0.038 0.000 0.900 2 S CB -1.458 61.878 63.200 0.228 0.000 0.562 2 S HN 1.776 nan 8.310 nan 0.000 0.306 3 L N -0.794 120.228 121.223 -0.335 0.000 2.675 3 L HA 0.468 4.808 4.340 0.001 0.000 0.239 3 L C 1.373 177.933 176.870 -0.516 0.000 1.151 3 L CA 0.437 55.024 54.840 -0.421 0.000 0.905 3 L CB -0.795 40.979 42.059 -0.476 0.000 1.057 3 L HN 0.588 nan 8.230 nan 0.000 0.435 4 F N -0.410 119.505 119.950 -0.059 0.000 2.714 4 F HA 0.295 4.823 4.527 0.001 0.000 0.294 4 F C 1.590 177.359 175.800 -0.052 0.000 1.120 4 F CA -0.315 57.662 58.000 -0.038 0.000 1.398 4 F CB -0.063 38.927 39.000 -0.017 0.000 1.120 4 F HN -0.032 nan 8.300 nan 0.000 0.589 5 K N 0.876 121.287 120.400 0.018 0.000 2.136 5 K HA 0.400 4.721 4.320 0.001 0.000 0.237 5 K C -0.366 176.305 176.600 0.118 0.000 1.048 5 K CA -0.260 56.018 56.287 -0.016 0.000 0.880 5 K CB 0.670 32.969 32.500 -0.335 0.000 1.105 5 K HN -0.058 nan 8.250 nan 0.000 0.507 6 I N 1.518 122.218 120.570 0.218 0.000 2.355 6 I HA 0.216 4.386 4.170 0.001 0.000 0.288 6 I C 0.058 176.365 176.117 0.317 0.000 0.999 6 I CA -0.568 60.859 61.300 0.212 0.000 1.163 6 I CB 1.466 39.533 38.000 0.113 0.000 1.316 6 I HN 0.385 nan 8.210 nan 0.000 0.454 7 R N 7.022 127.661 120.500 0.231 0.000 2.316 7 R HA 0.308 4.649 4.340 0.001 0.000 0.314 7 R C -0.303 175.967 176.300 -0.050 0.000 1.069 7 R CA -0.653 55.450 56.100 0.005 0.000 0.959 7 R CB 0.568 30.840 30.300 -0.046 0.000 0.987 7 R HN 0.468 nan 8.270 nan 0.000 0.446 8 M N 6.637 126.180 119.600 -0.095 0.000 2.239 8 M HA 0.163 4.643 4.480 0.001 0.000 0.348 8 M C -1.811 174.438 176.300 -0.086 0.000 1.239 8 M CA -2.238 53.032 55.300 -0.050 0.000 1.114 8 M CB 0.216 32.819 32.600 0.004 0.000 1.641 8 M HN 0.503 nan 8.290 nan 0.000 0.453 9 P HA 0.083 nan 4.420 nan 0.000 0.274 9 P C 0.515 177.778 177.300 -0.062 0.000 1.256 9 P CA -0.180 62.882 63.100 -0.063 0.000 0.795 9 P CB 0.313 31.982 31.700 -0.052 0.000 1.038 10 E N 0.051 120.217 120.200 -0.055 0.000 2.209 10 E HA -0.148 4.203 4.350 0.001 0.000 0.196 10 E C 0.826 177.403 176.600 -0.039 0.000 0.993 10 E CA 1.790 58.161 56.400 -0.048 0.000 0.819 10 E CB -1.690 27.985 29.700 -0.041 0.000 0.745 10 E HN 0.527 nan 8.360 nan 0.000 0.477 11 T N -1.359 113.172 114.554 -0.039 0.000 3.260 11 T HA 0.354 4.704 4.350 0.001 0.000 0.254 11 T C 1.265 175.940 174.700 -0.042 0.000 0.951 11 T CA 0.191 62.271 62.100 -0.035 0.000 0.918 11 T CB 0.364 69.213 68.868 -0.032 0.000 1.098 11 T HN 0.018 nan 8.240 nan 0.000 0.563 12 V N 1.344 121.230 119.914 -0.046 0.000 2.307 12 V HA 0.002 4.123 4.120 0.001 0.000 0.245 12 V C 2.709 178.759 176.094 -0.074 0.000 1.045 12 V CA 2.223 64.487 62.300 -0.060 0.000 1.024 12 V CB -0.956 30.846 31.823 -0.036 0.000 0.651 12 V HN 0.700 nan 8.190 nan 0.000 0.449 13 A N -1.015 121.781 122.820 -0.041 0.000 2.014 13 A HA -0.138 4.182 4.320 0.001 0.000 0.218 13 A C 1.997 179.572 177.584 -0.015 0.000 1.163 13 A CA 1.422 53.445 52.037 -0.023 0.000 0.652 13 A CB -0.494 18.511 19.000 0.008 0.000 0.808 13 A HN 0.688 nan 8.150 nan 0.000 0.449 14 E N 0.154 120.344 120.200 -0.017 0.000 2.058 14 E HA -0.087 4.263 4.350 0.001 0.000 0.194 14 E C 1.302 177.899 176.600 -0.005 0.000 0.997 14 E CA 0.541 56.937 56.400 -0.007 0.000 0.801 14 E CB -0.359 29.334 29.700 -0.010 0.000 0.746 14 E HN 0.559 nan 8.360 nan 0.000 0.450 15 G N 0.274 109.061 108.800 -0.021 0.000 2.483 15 G HA2 0.158 4.119 3.960 0.001 0.000 0.248 15 G HA3 0.158 4.119 3.960 0.001 0.000 0.248 15 G C 0.479 175.372 174.900 -0.012 0.000 1.248 15 G CA 0.485 45.575 45.100 -0.017 0.000 0.838 15 G HN 0.238 nan 8.290 nan 0.000 0.566 16 T N -1.675 112.895 114.554 0.028 0.000 6.885 16 T HA -0.296 4.055 4.350 0.001 0.000 0.286 16 T C 0.693 175.457 174.700 0.106 0.000 2.119 16 T CA 1.510 63.659 62.100 0.081 0.000 3.358 16 T CB -1.797 67.125 68.868 0.089 0.000 1.764 16 T HN 0.967 nan 8.240 nan 0.000 1.202 17 R N 1.152 121.693 120.500 0.068 0.000 2.370 17 R HA 0.506 4.847 4.340 0.001 0.000 0.309 17 R C 0.640 176.980 176.300 0.066 0.000 1.059 17 R CA -0.704 55.438 56.100 0.069 0.000 0.981 17 R CB 0.226 30.554 30.300 0.046 0.000 0.972 17 R HN 0.579 nan 8.270 nan 0.000 0.437 18 L N 5.178 126.440 121.223 0.066 0.000 2.500 18 L HA 0.020 4.361 4.340 0.001 0.000 0.272 18 L C 1.039 177.924 176.870 0.025 0.000 1.149 18 L CA 0.206 55.071 54.840 0.041 0.000 0.897 18 L CB 0.943 43.013 42.059 0.019 0.000 1.178 18 L HN 0.973 nan 8.230 nan 0.000 0.473 19 A N 6.548 129.382 122.820 0.024 0.000 1.854 19 A HA 0.146 4.467 4.320 0.001 0.000 0.214 19 A C 0.696 178.282 177.584 0.003 0.000 1.192 19 A CA 0.823 52.873 52.037 0.021 0.000 0.611 19 A CB 0.104 19.126 19.000 0.036 0.000 0.832 19 A HN 0.623 nan 8.150 nan 0.000 0.442 20 L N -1.369 119.848 121.223 -0.009 0.000 2.409 20 L HA 0.547 4.888 4.340 0.001 0.000 0.262 20 L C -0.305 176.520 176.870 -0.076 0.000 0.992 20 L CA -1.112 53.712 54.840 -0.027 0.000 0.817 20 L CB 1.942 44.005 42.059 0.006 0.000 1.350 20 L HN 0.197 nan 8.230 nan 0.000 0.411 21 R N 1.855 122.309 120.500 -0.076 0.000 2.441 21 R HA 0.625 4.965 4.340 0.001 0.000 0.284 21 R C -0.227 176.048 176.300 -0.042 0.000 1.070 21 R CA 0.067 56.104 56.100 -0.105 0.000 1.047 21 R CB 1.168 31.430 30.300 -0.062 0.000 1.016 21 R HN 0.723 nan 8.270 nan 0.000 0.477 22 A N 3.715 126.443 122.820 -0.152 0.000 2.406 22 A HA 0.477 4.798 4.320 0.001 0.000 0.243 22 A C -0.625 177.097 177.584 0.231 0.000 1.082 22 A CA 0.096 52.158 52.037 0.041 0.000 0.786 22 A CB -0.154 18.833 19.000 -0.021 0.000 1.029 22 A HN 0.719 nan 8.150 nan 0.000 0.495 23 F N -1.575 118.378 119.950 0.005 0.000 2.741 23 F HA 0.766 5.294 4.527 0.001 0.000 0.313 23 F C -0.409 175.417 175.800 0.043 0.000 1.153 23 F CA -0.926 57.061 58.000 -0.021 0.000 0.931 23 F CB 0.740 39.737 39.000 -0.005 0.000 1.335 23 F HN 0.410 nan 8.300 nan 0.000 0.460 24 S N 1.017 116.696 115.700 -0.035 0.000 2.689 24 S HA 0.817 5.287 4.470 0.001 0.000 0.306 24 S C -1.521 173.265 174.600 0.309 0.000 1.104 24 S CA -0.811 57.415 58.200 0.044 0.000 0.973 24 S CB 1.937 65.266 63.200 0.216 0.000 1.121 24 S HN 0.828 nan 8.310 nan 0.000 0.523 25 L N 1.668 123.095 121.223 0.340 0.000 2.386 25 L HA 0.756 5.097 4.340 0.001 0.000 0.271 25 L C -1.767 175.343 176.870 0.401 0.000 0.993 25 L CA -0.558 54.514 54.840 0.387 0.000 0.819 25 L CB 1.555 43.773 42.059 0.264 0.000 1.294 25 L HN 0.432 nan 8.230 nan 0.000 0.414 26 V N 5.456 125.592 119.914 0.371 0.000 2.483 26 V HA 0.635 4.756 4.120 0.001 0.000 0.297 26 V C -0.592 175.637 176.094 0.226 0.000 1.027 26 V CA -0.555 61.929 62.300 0.308 0.000 0.855 26 V CB 1.745 33.704 31.823 0.227 0.000 0.995 26 V HN 0.529 nan 8.190 nan 0.000 0.424 27 V N 3.896 123.835 119.914 0.042 0.000 3.114 27 V HA 0.991 5.112 4.120 0.001 0.000 0.308 27 V C -0.809 175.268 176.094 -0.028 0.000 1.168 27 V CA -0.195 62.005 62.300 -0.167 0.000 1.015 27 V CB 2.537 33.753 31.823 -1.012 0.000 1.050 27 V HN 1.131 nan 8.190 nan 0.000 0.433 28 A N 4.006 126.837 122.820 0.018 0.000 2.356 28 A HA 0.911 5.232 4.320 0.001 0.000 0.310 28 A C -0.814 176.849 177.584 0.133 0.000 1.075 28 A CA -0.044 52.046 52.037 0.088 0.000 0.746 28 A CB 1.600 20.733 19.000 0.222 0.000 1.221 28 A HN 1.924 nan 8.150 nan 0.000 0.443 29 V N -0.189 119.704 119.914 -0.035 0.000 3.126 29 V HA 0.886 5.006 4.120 0.001 0.000 0.314 29 V C -0.565 175.300 176.094 -0.381 0.000 1.138 29 V CA -0.786 61.493 62.300 -0.035 0.000 1.034 29 V CB 1.844 33.684 31.823 0.029 0.000 1.075 29 V HN 0.933 nan 8.190 nan 0.000 0.442 30 D N -0.409 119.792 120.400 -0.332 0.000 2.529 30 D HA 0.309 4.949 4.640 0.001 0.000 0.273 30 D C 0.589 176.800 176.300 -0.148 0.000 1.197 30 D CA -0.528 53.241 54.000 -0.385 0.000 1.070 30 D CB 0.736 41.339 40.800 -0.327 0.000 1.134 30 D HN 0.657 nan 8.370 nan 0.000 0.590 31 E N -1.484 118.655 120.200 -0.101 0.000 2.472 31 E HA -0.088 4.263 4.350 0.001 0.000 0.200 31 E C 1.470 178.091 176.600 0.035 0.000 1.046 31 E CA 0.426 56.814 56.400 -0.019 0.000 0.871 31 E CB 0.058 29.755 29.700 -0.005 0.000 0.806 31 E HN 0.285 nan 8.360 nan 0.000 0.533 32 R N -0.889 119.652 120.500 0.068 0.000 2.362 32 R HA 0.059 4.400 4.340 0.001 0.000 0.227 32 R C 0.954 177.404 176.300 0.250 0.000 0.905 32 R CA 0.676 56.868 56.100 0.152 0.000 1.067 32 R CB 0.531 30.948 30.300 0.195 0.000 1.078 32 R HN 0.215 nan 8.270 nan 0.000 0.516 33 G N -0.512 108.397 108.800 0.182 0.000 2.179 33 G HA2 -0.256 3.705 3.960 0.001 0.000 0.260 33 G HA3 -0.256 3.705 3.960 0.001 0.000 0.260 33 G C 0.328 175.385 174.900 0.263 0.000 0.977 33 G CA -0.044 45.197 45.100 0.235 0.000 0.641 33 G HN 0.553 nan 8.290 nan 0.000 0.533 34 G N -0.040 108.832 108.800 0.120 0.000 2.491 34 G HA2 0.564 4.524 3.960 0.001 0.000 0.242 34 G HA3 0.564 4.524 3.960 0.001 0.000 0.242 34 G C 1.120 176.078 174.900 0.096 0.000 1.266 34 G CA 0.113 45.071 45.100 -0.238 0.000 0.844 34 G HN 1.240 nan 8.290 nan 0.000 0.571 35 I N -0.646 119.935 120.570 0.018 0.000 4.323 35 I HA 0.569 4.740 4.170 0.001 0.000 0.328 35 I C 0.755 176.807 176.117 -0.107 0.000 1.310 35 I CA -0.027 61.356 61.300 0.138 0.000 1.186 35 I CB 0.717 38.808 38.000 0.152 0.000 1.130 35 I HN 0.673 nan 8.210 nan 0.000 0.411 36 G N 1.635 110.322 108.800 -0.189 0.000 2.489 36 G HA2 0.206 4.167 3.960 0.001 0.000 0.291 36 G HA3 0.206 4.167 3.960 0.001 0.000 0.291 36 G C -0.814 173.963 174.900 -0.204 0.000 1.487 36 G CA 0.223 45.164 45.100 -0.264 0.000 0.795 36 G HN 0.103 nan 8.290 nan 0.000 0.513 37 D N -1.198 119.088 120.400 -0.189 0.000 2.317 37 D HA 0.301 4.942 4.640 0.001 0.000 0.211 37 D C 1.550 177.799 176.300 -0.086 0.000 0.966 37 D CA 1.693 55.618 54.000 -0.125 0.000 0.876 37 D CB 0.378 41.110 40.800 -0.113 0.000 0.927 37 D HN 1.623 nan 8.370 nan 0.000 0.519 38 G N 0.420 109.167 108.800 -0.088 0.000 3.675 38 G HA2 -0.148 3.813 3.960 0.001 0.000 0.206 38 G HA3 -0.148 3.813 3.960 0.001 0.000 0.206 38 G C 0.599 175.464 174.900 -0.058 0.000 1.086 38 G CA -0.140 44.928 45.100 -0.054 0.000 0.894 38 G HN 0.319 nan 8.290 nan 0.000 0.412 39 R N 0.403 120.856 120.500 -0.078 0.000 2.521 39 R HA 0.507 4.847 4.340 0.001 0.000 0.436 39 R C -0.203 176.031 176.300 -0.109 0.000 0.917 39 R CA 0.567 56.620 56.100 -0.078 0.000 1.080 39 R CB 0.333 30.602 30.300 -0.053 0.000 1.530 39 R HN 1.109 nan 8.270 nan 0.000 0.596 40 S N -0.136 115.474 115.700 -0.150 0.000 2.586 40 S HA 0.402 4.873 4.470 0.001 0.000 0.277 40 S C -0.354 174.069 174.600 -0.296 0.000 1.131 40 S CA -1.154 56.927 58.200 -0.198 0.000 0.848 40 S CB 0.957 64.054 63.200 -0.172 0.000 1.091 40 S HN 0.340 nan 8.310 nan 0.000 0.453 41 I N 0.432 120.778 120.570 -0.373 0.000 2.533 41 I HA 0.398 4.569 4.170 0.001 0.000 0.284 41 I C -1.740 173.999 176.117 -0.631 0.000 1.109 41 I CA -1.481 59.445 61.300 -0.623 0.000 1.412 41 I CB -0.127 37.504 38.000 -0.616 0.000 1.396 41 I HN 0.456 nan 8.210 nan 0.000 0.543 42 P HA 0.032 nan 4.420 nan 0.000 0.217 42 P C -0.282 176.851 177.300 -0.279 0.000 1.154 42 P CA 0.592 63.428 63.100 -0.440 0.000 0.841 42 P CB -0.086 31.428 31.700 -0.309 0.000 0.790 43 W N 0.773 122.026 121.300 -0.078 0.000 2.283 43 W HA 0.462 5.123 4.660 0.001 0.000 0.341 43 W C -0.067 176.397 176.519 -0.091 0.000 1.206 43 W CA -0.953 56.345 57.345 -0.078 0.000 1.294 43 W CB -0.231 29.181 29.460 -0.079 0.000 1.154 43 W HN -0.192 nan 8.180 nan 0.000 0.613 44 N N 1.293 120.102 118.700 0.181 0.000 2.573 44 N HA 0.373 5.114 4.740 0.001 0.000 0.262 44 N C -2.102 173.444 175.510 0.061 0.000 1.029 44 N CA -0.429 52.662 53.050 0.068 0.000 0.882 44 N CB 1.214 39.701 38.487 -0.000 0.000 1.204 44 N HN 0.427 nan 8.380 nan 0.000 0.519 45 V N 5.752 125.699 119.914 0.054 0.000 2.385 45 V HA 0.305 4.425 4.120 0.001 0.000 0.277 45 V C -1.676 174.363 176.094 -0.092 0.000 1.012 45 V CA -1.368 60.890 62.300 -0.069 0.000 0.832 45 V CB 1.559 33.271 31.823 -0.185 0.000 1.028 45 V HN 0.570 nan 8.190 nan 0.000 0.436 46 P HA -0.117 nan 4.420 nan 0.000 0.216 46 P C 1.301 178.580 177.300 -0.034 0.000 1.150 46 P CA 1.061 64.131 63.100 -0.050 0.000 0.837 46 P CB 0.509 32.190 31.700 -0.032 0.000 0.786 47 E N -0.680 119.467 120.200 -0.087 0.000 2.153 47 E HA -0.201 4.150 4.350 0.001 0.000 0.194 47 E C 1.708 178.367 176.600 0.098 0.000 0.988 47 E CA 1.308 57.701 56.400 -0.013 0.000 0.811 47 E CB -0.752 28.895 29.700 -0.088 0.000 0.746 47 E HN 0.358 nan 8.360 nan 0.000 0.466 48 D N -0.582 119.813 120.400 -0.007 0.000 2.123 48 D HA -0.141 4.500 4.640 0.001 0.000 0.200 48 D C 1.684 178.119 176.300 0.225 0.000 0.976 48 D CA 0.981 55.098 54.000 0.195 0.000 0.831 48 D CB 0.112 40.959 40.800 0.078 0.000 0.974 48 D HN -0.029 nan 8.370 nan 0.000 0.469 49 M N 0.550 120.210 119.600 0.101 0.000 2.108 49 M HA -0.122 4.358 4.480 0.001 0.000 0.261 49 M C 2.168 178.551 176.300 0.138 0.000 1.066 49 M CA 1.270 56.621 55.300 0.085 0.000 1.107 49 M CB -1.001 31.589 32.600 -0.017 0.000 1.356 49 M HN 0.159 nan 8.290 nan 0.000 0.406 50 K N -0.452 120.014 120.400 0.110 0.000 2.026 50 K HA -0.191 4.129 4.320 0.001 0.000 0.208 50 K C 2.083 178.723 176.600 0.067 0.000 1.048 50 K CA 1.332 57.668 56.287 0.081 0.000 0.929 50 K CB -0.328 32.222 32.500 0.082 0.000 0.713 50 K HN 0.177 nan 8.250 nan 0.000 0.439 51 F N 1.083 121.013 119.950 -0.032 0.000 2.126 51 F HA -0.222 4.306 4.527 0.001 0.000 0.299 51 F C 1.979 177.696 175.800 -0.139 0.000 1.096 51 F CA 1.502 59.402 58.000 -0.166 0.000 1.255 51 F CB -0.520 38.273 39.000 -0.345 0.000 0.997 51 F HN 0.099 nan 8.300 nan 0.000 0.479 52 F N 1.321 121.205 119.950 -0.109 0.000 2.134 52 F HA -0.188 4.340 4.527 0.001 0.000 0.299 52 F C 2.695 178.315 175.800 -0.301 0.000 1.097 52 F CA 2.206 60.078 58.000 -0.212 0.000 1.264 52 F CB -0.656 38.309 39.000 -0.059 0.000 1.001 52 F HN -0.028 nan 8.300 nan 0.000 0.479 53 R N 0.340 120.738 120.500 -0.171 0.000 2.073 53 R HA -0.169 4.172 4.340 0.001 0.000 0.234 53 R C 1.909 177.979 176.300 -0.382 0.000 1.134 53 R CA 2.231 58.179 56.100 -0.253 0.000 0.952 53 R CB -0.639 29.631 30.300 -0.051 0.000 0.850 53 R HN 0.243 nan 8.270 nan 0.000 0.433 54 D N -0.030 120.148 120.400 -0.371 0.000 2.097 54 D HA -0.139 4.502 4.640 0.001 0.000 0.197 54 D C 1.874 177.852 176.300 -0.537 0.000 0.984 54 D CA 1.203 54.978 54.000 -0.375 0.000 0.826 54 D CB -0.378 40.242 40.800 -0.300 0.000 0.973 54 D HN 0.125 nan 8.370 nan 0.000 0.460 55 V N 1.138 120.549 119.914 -0.839 0.000 2.626 55 V HA -0.167 3.954 4.120 0.001 0.000 0.252 55 V C 2.250 177.733 176.094 -1.017 0.000 1.067 55 V CA 2.356 64.067 62.300 -0.982 0.000 1.081 55 V CB -0.420 30.531 31.823 -1.453 0.000 0.686 55 V HN 0.385 nan 8.190 nan 0.000 0.468 56 T N -5.344 108.592 114.554 -1.030 0.000 3.044 56 T HA -0.004 4.347 4.350 0.001 0.000 0.250 56 T C 1.502 175.944 174.700 -0.430 0.000 1.081 56 T CA 1.025 62.528 62.100 -0.994 0.000 1.040 56 T CB 0.190 68.415 68.868 -1.071 0.000 0.962 56 T HN 0.439 nan 8.240 nan 0.000 0.506 57 T N 1.173 115.515 114.554 -0.352 0.000 3.021 57 T HA 0.215 4.566 4.350 0.001 0.000 0.245 57 T C 0.777 175.411 174.700 -0.110 0.000 1.028 57 T CA 0.071 62.068 62.100 -0.172 0.000 1.139 57 T CB 0.087 68.869 68.868 -0.142 0.000 0.884 57 T HN 0.331 nan 8.240 nan 0.000 0.457 58 K N 1.582 121.893 120.400 -0.149 0.000 2.469 58 K HA 0.308 4.629 4.320 0.001 0.000 0.274 58 K C -0.609 175.964 176.600 -0.044 0.000 0.983 58 K CA 0.286 56.516 56.287 -0.097 0.000 0.974 58 K CB 0.392 32.816 32.500 -0.126 0.000 0.913 58 K HN 0.209 nan 8.250 nan 0.000 0.493 59 L N 2.092 123.300 121.223 -0.024 0.000 2.319 59 L HA 0.440 4.780 4.340 0.001 0.000 0.267 59 L C 0.343 177.210 176.870 -0.006 0.000 1.011 59 L CA -1.135 53.704 54.840 -0.002 0.000 0.818 59 L CB 1.669 43.733 42.059 0.007 0.000 1.316 59 L HN 0.476 nan 8.230 nan 0.000 0.432 60 R N 0.898 121.399 120.500 0.001 0.000 2.679 60 R HA 0.446 4.787 4.340 0.001 0.000 0.268 60 R C 0.133 176.433 176.300 0.001 0.000 1.044 60 R CA 0.476 56.573 56.100 -0.004 0.000 1.105 60 R CB 0.271 30.568 30.300 -0.005 0.000 0.989 60 R HN 0.885 nan 8.270 nan 0.000 0.447 61 G N 1.594 110.393 108.800 -0.000 0.000 2.895 61 G HA2 -0.208 3.753 3.960 0.001 0.000 0.686 61 G HA3 -0.208 3.753 3.960 0.001 0.000 0.686 61 G C 0.383 175.284 174.900 0.003 0.000 1.108 61 G CA -0.376 44.727 45.100 0.005 0.000 0.761 61 G HN 0.622 nan 8.290 nan 0.000 0.611 62 K N 0.661 121.063 120.400 0.004 0.000 2.007 62 K HA -0.236 4.085 4.320 0.001 0.000 0.231 62 K C 0.927 177.527 176.600 0.000 0.000 1.044 62 K CA 2.023 58.312 56.287 0.003 0.000 0.996 62 K CB -0.280 32.223 32.500 0.005 0.000 0.738 62 K HN 0.514 nan 8.250 nan 0.000 0.447 63 N N 0.425 119.126 118.700 0.002 0.000 2.434 63 N HA 0.087 4.828 4.740 0.001 0.000 0.272 63 N C 0.747 176.256 175.510 -0.000 0.000 1.040 63 N CA -0.067 52.983 53.050 0.000 0.000 0.956 63 N CB 1.714 40.202 38.487 0.002 0.000 1.108 63 N HN -0.078 nan 8.380 nan 0.000 0.481 64 V N 3.340 123.251 119.914 -0.004 0.000 2.365 64 V HA -0.065 4.056 4.120 0.001 0.000 0.232 64 V C 0.217 176.311 176.094 -0.001 0.000 1.065 64 V CA 0.509 62.806 62.300 -0.005 0.000 1.054 64 V CB -0.725 31.089 31.823 -0.014 0.000 0.685 64 V HN 0.969 nan 8.190 nan 0.000 0.480 65 K N -0.052 120.346 120.400 -0.004 0.000 4.838 65 K HA -0.186 4.135 4.320 0.001 0.000 0.300 65 K C -2.681 173.920 176.600 0.002 0.000 0.861 65 K CA 0.070 56.355 56.287 -0.003 0.000 0.929 65 K CB -2.238 30.259 32.500 -0.005 0.000 1.772 65 K HN 0.375 nan 8.250 nan 0.000 0.422 66 P HA 0.126 nan 4.420 nan 0.000 0.271 66 P C -0.501 176.810 177.300 0.018 0.000 1.218 66 P CA -0.166 62.946 63.100 0.020 0.000 0.780 66 P CB 1.396 33.116 31.700 0.033 0.000 0.901 67 S N 0.815 116.531 115.700 0.027 0.000 2.643 67 S HA 0.507 4.978 4.470 0.001 0.000 0.270 67 S C -2.386 172.238 174.600 0.041 0.000 1.166 67 S CA -1.166 57.046 58.200 0.020 0.000 0.815 67 S CB 1.297 64.500 63.200 0.004 0.000 1.139 67 S HN 0.154 nan 8.310 nan 0.000 0.472 68 P HA -0.090 nan 4.420 nan 0.000 0.216 68 P C 1.524 178.839 177.300 0.024 0.000 1.150 68 P CA 2.117 65.242 63.100 0.040 0.000 0.837 68 P CB -0.441 31.275 31.700 0.028 0.000 0.786 69 A N -0.743 122.086 122.820 0.015 0.000 1.902 69 A HA -0.102 4.219 4.320 0.001 0.000 0.217 69 A C 1.366 178.962 177.584 0.020 0.000 1.181 69 A CA 1.495 53.539 52.037 0.011 0.000 0.623 69 A CB -0.581 18.424 19.000 0.008 0.000 0.818 69 A HN 0.139 nan 8.150 nan 0.000 0.443 70 K N -0.685 119.731 120.400 0.026 0.000 2.615 70 K HA 0.467 4.788 4.320 0.001 0.000 0.249 70 K C -0.784 175.839 176.600 0.038 0.000 0.977 70 K CA -0.391 55.915 56.287 0.032 0.000 0.833 70 K CB 1.038 33.553 32.500 0.026 0.000 1.208 70 K HN 0.646 nan 8.250 nan 0.000 0.443 71 R N 1.311 121.840 120.500 0.048 0.000 2.741 71 R HA 0.514 4.854 4.340 0.001 0.000 0.276 71 R C -1.014 175.323 176.300 0.063 0.000 1.028 71 R CA -1.045 55.088 56.100 0.056 0.000 0.865 71 R CB 0.521 30.863 30.300 0.071 0.000 1.268 71 R HN 0.309 nan 8.270 nan 0.000 0.475 72 N N -0.401 118.342 118.700 0.071 0.000 2.458 72 N HA 0.600 5.341 4.740 0.001 0.000 0.271 72 N C -1.002 174.565 175.510 0.094 0.000 1.210 72 N CA -0.179 52.928 53.050 0.094 0.000 0.978 72 N CB 1.690 40.278 38.487 0.168 0.000 1.206 72 N HN 0.684 nan 8.380 nan 0.000 0.536 73 A N 0.020 122.898 122.820 0.096 0.000 2.371 73 A HA 0.572 4.893 4.320 0.001 0.000 0.311 73 A C -0.484 177.171 177.584 0.119 0.000 1.068 73 A CA -0.738 51.346 52.037 0.079 0.000 0.744 73 A CB 0.787 19.805 19.000 0.030 0.000 1.239 73 A HN 0.411 nan 8.150 nan 0.000 0.435 74 V N 0.817 120.794 119.914 0.105 0.000 2.435 74 V HA 0.807 4.928 4.120 0.001 0.000 0.290 74 V C -0.397 175.746 176.094 0.082 0.000 1.030 74 V CA -0.666 61.713 62.300 0.132 0.000 0.881 74 V CB 0.965 32.869 31.823 0.135 0.000 0.983 74 V HN 0.613 nan 8.190 nan 0.000 0.445 75 V N 6.954 126.911 119.914 0.072 0.000 2.459 75 V HA 0.715 4.835 4.120 0.001 0.000 0.295 75 V C 0.134 176.237 176.094 0.014 0.000 1.029 75 V CA -0.371 61.930 62.300 0.002 0.000 0.874 75 V CB 1.375 33.160 31.823 -0.062 0.000 0.985 75 V HN 1.137 nan 8.190 nan 0.000 0.438 76 M N 3.050 122.646 119.600 -0.006 0.000 2.520 76 M HA 0.829 5.309 4.480 0.001 0.000 0.283 76 M C -0.090 176.189 176.300 -0.035 0.000 1.237 76 M CA -0.503 54.792 55.300 -0.007 0.000 0.885 76 M CB 2.191 34.839 32.600 0.081 0.000 1.727 76 M HN 0.630 nan 8.290 nan 0.000 0.468 77 G N 1.141 109.908 108.800 -0.055 0.000 2.539 77 G HA2 0.270 4.231 3.960 0.001 0.000 0.258 77 G HA3 0.270 4.231 3.960 0.001 0.000 0.258 77 G C 0.313 175.220 174.900 0.012 0.000 1.202 77 G CA -0.576 44.497 45.100 -0.044 0.000 0.851 77 G HN 1.001 nan 8.290 nan 0.000 0.556 78 R N 0.350 120.853 120.500 0.005 0.000 2.105 78 R HA -0.108 4.233 4.340 0.001 0.000 0.239 78 R C 2.224 178.599 176.300 0.125 0.000 1.135 78 R CA 1.677 57.810 56.100 0.055 0.000 0.967 78 R CB -0.171 30.135 30.300 0.010 0.000 0.861 78 R HN 0.602 nan 8.270 nan 0.000 0.442 79 K N -0.980 119.453 120.400 0.056 0.000 2.155 79 K HA -0.043 4.278 4.320 0.001 0.000 0.203 79 K C 2.008 178.622 176.600 0.023 0.000 1.052 79 K CA 1.687 57.994 56.287 0.034 0.000 0.948 79 K CB -0.021 32.478 32.500 -0.001 0.000 0.728 79 K HN 0.177 nan 8.250 nan 0.000 0.448 80 T N 1.085 115.651 114.554 0.020 0.000 2.708 80 T HA -0.187 4.163 4.350 0.001 0.000 0.266 80 T C 1.245 175.974 174.700 0.048 0.000 1.037 80 T CA 1.005 63.102 62.100 -0.005 0.000 1.146 80 T CB -0.284 68.567 68.868 -0.027 0.000 0.865 80 T HN 0.456 nan 8.240 nan 0.000 0.435 81 W N 2.589 123.854 121.300 -0.058 0.000 2.315 81 W HA -0.223 4.438 4.660 0.001 0.000 0.323 81 W C 1.484 177.983 176.519 -0.034 0.000 1.233 81 W CA 1.713 59.035 57.345 -0.037 0.000 1.267 81 W CB -0.504 28.938 29.460 -0.029 0.000 1.160 81 W HN 0.234 nan 8.180 nan 0.000 0.474 82 D N 0.140 120.588 120.400 0.079 0.000 2.190 82 D HA -0.199 4.441 4.640 0.001 0.000 0.200 82 D C 2.431 178.662 176.300 -0.115 0.000 0.992 82 D CA 2.348 56.329 54.000 -0.032 0.000 0.854 82 D CB -0.626 40.207 40.800 0.054 0.000 0.936 82 D HN 0.243 nan 8.370 nan 0.000 0.462 83 S N -0.348 115.291 115.700 -0.102 0.000 2.481 83 S HA -0.047 4.424 4.470 0.001 0.000 0.231 83 S C 0.942 175.443 174.600 -0.165 0.000 0.996 83 S CA -0.068 58.057 58.200 -0.126 0.000 0.942 83 S CB -0.317 62.809 63.200 -0.123 0.000 0.768 83 S HN 0.144 nan 8.310 nan 0.000 0.520 84 I N 2.990 123.432 120.570 -0.213 0.000 2.337 84 I HA 0.341 4.512 4.170 0.001 0.000 0.291 84 I C -2.505 173.486 176.117 -0.211 0.000 1.046 84 I CA -2.673 58.492 61.300 -0.225 0.000 1.324 84 I CB 0.831 38.671 38.000 -0.267 0.000 1.409 84 I HN -0.041 nan 8.210 nan 0.000 0.494 85 P HA -0.035 nan 4.420 nan 0.000 0.261 85 P C -1.790 175.485 177.300 -0.042 0.000 1.173 85 P CA -0.779 62.322 63.100 0.001 0.000 0.760 85 P CB 0.003 31.822 31.700 0.199 0.000 0.783 86 P HA -0.242 nan 4.420 nan 0.000 0.216 86 P C 1.443 178.651 177.300 -0.153 0.000 1.153 86 P CA 1.768 64.775 63.100 -0.157 0.000 0.858 86 P CB 0.090 31.727 31.700 -0.105 0.000 0.789 87 K N -0.350 119.934 120.400 -0.192 0.000 2.107 87 K HA -0.181 4.140 4.320 0.001 0.000 0.211 87 K C 1.539 177.867 176.600 -0.453 0.000 1.049 87 K CA 1.727 57.788 56.287 -0.377 0.000 0.927 87 K CB -0.553 31.598 32.500 -0.582 0.000 0.714 87 K HN 0.073 nan 8.250 nan 0.000 0.452 88 F N 0.599 120.483 119.950 -0.110 0.000 2.765 88 F HA 0.211 4.738 4.527 0.001 0.000 0.302 88 F C 0.470 176.191 175.800 -0.132 0.000 1.111 88 F CA -0.143 57.797 58.000 -0.101 0.000 1.359 88 F CB 0.322 39.264 39.000 -0.098 0.000 1.097 88 F HN -0.219 nan 8.300 nan 0.000 0.577 89 R N 1.442 121.898 120.500 -0.074 0.000 2.540 89 R HA 0.368 4.709 4.340 0.001 0.000 0.287 89 R C -2.359 173.914 176.300 -0.045 0.000 0.980 89 R CA -1.776 54.226 56.100 -0.162 0.000 0.966 89 R CB 0.501 30.491 30.300 -0.516 0.000 1.106 89 R HN -0.127 nan 8.270 nan 0.000 0.480 90 P HA 0.130 nan 4.420 nan 0.000 0.276 90 P C -0.425 176.902 177.300 0.044 0.000 1.244 90 P CA -0.492 62.669 63.100 0.101 0.000 0.801 90 P CB 0.694 32.482 31.700 0.147 0.000 1.006 91 L N 2.631 123.906 121.223 0.087 0.000 2.615 91 L HA 0.077 4.417 4.340 0.001 0.000 0.271 91 L C -1.813 175.085 176.870 0.046 0.000 1.183 91 L CA -1.412 53.478 54.840 0.083 0.000 0.933 91 L CB -0.806 41.326 42.059 0.121 0.000 1.199 91 L HN 0.222 nan 8.230 nan 0.000 0.487 92 P HA 0.010 nan 4.420 nan 0.000 0.267 92 P C 0.896 178.255 177.300 0.098 0.000 1.200 92 P CA 0.630 63.788 63.100 0.095 0.000 0.772 92 P CB 0.733 32.500 31.700 0.112 0.000 0.855 93 G N 0.757 109.666 108.800 0.182 0.000 2.205 93 G HA2 -0.231 3.730 3.960 0.001 0.000 0.261 93 G HA3 -0.231 3.730 3.960 0.001 0.000 0.261 93 G C 0.076 175.034 174.900 0.097 0.000 0.980 93 G CA 0.232 45.409 45.100 0.128 0.000 0.632 93 G HN 0.825 nan 8.290 nan 0.000 0.533 94 R N -0.708 119.841 120.500 0.081 0.000 2.739 94 R HA 0.701 5.042 4.340 0.001 0.000 0.271 94 R C -0.707 175.632 176.300 0.065 0.000 1.010 94 R CA -1.248 54.893 56.100 0.069 0.000 0.897 94 R CB 1.284 31.610 30.300 0.043 0.000 1.236 94 R HN 0.273 nan 8.270 nan 0.000 0.466 95 L N 2.131 123.399 121.223 0.075 0.000 2.418 95 L HA 0.216 4.557 4.340 0.001 0.000 0.274 95 L C -0.480 176.421 176.870 0.052 0.000 1.135 95 L CA 0.046 54.927 54.840 0.067 0.000 0.870 95 L CB 0.404 42.514 42.059 0.085 0.000 1.154 95 L HN 0.643 nan 8.230 nan 0.000 0.462 96 N N 4.661 123.389 118.700 0.046 0.000 2.462 96 N HA 0.197 4.938 4.740 0.001 0.000 0.242 96 N C -0.897 174.588 175.510 -0.042 0.000 1.010 96 N CA -0.465 52.619 53.050 0.057 0.000 0.939 96 N CB 1.879 40.464 38.487 0.163 0.000 1.127 96 N HN 0.302 nan 8.380 nan 0.000 0.509 97 V N 3.382 123.263 119.914 -0.055 0.000 2.370 97 V HA 0.268 4.389 4.120 0.001 0.000 0.279 97 V C 0.266 176.275 176.094 -0.143 0.000 1.029 97 V CA -0.616 61.608 62.300 -0.126 0.000 0.870 97 V CB 1.448 33.188 31.823 -0.139 0.000 0.984 97 V HN 0.272 nan 8.190 nan 0.000 0.451 98 V N 6.502 126.276 119.914 -0.234 0.000 2.459 98 V HA 0.468 4.588 4.120 0.001 0.000 0.295 98 V C -0.128 175.845 176.094 -0.201 0.000 1.029 98 V CA -0.665 61.478 62.300 -0.262 0.000 0.874 98 V CB 1.756 33.246 31.823 -0.555 0.000 0.985 98 V HN 0.634 nan 8.190 nan 0.000 0.438 99 L N 4.019 125.157 121.223 -0.141 0.000 2.260 99 L HA 0.709 5.049 4.340 0.001 0.000 0.289 99 L C 0.210 177.022 176.870 -0.097 0.000 1.057 99 L CA 0.323 55.096 54.840 -0.112 0.000 0.811 99 L CB 1.288 43.293 42.059 -0.091 0.000 1.184 99 L HN 0.749 nan 8.230 nan 0.000 0.429 100 S N 0.303 115.948 115.700 -0.092 0.000 2.543 100 S HA 0.306 4.776 4.470 0.001 0.000 0.274 100 S C 0.378 174.944 174.600 -0.055 0.000 1.149 100 S CA -0.107 58.051 58.200 -0.071 0.000 0.866 100 S CB 1.840 64.989 63.200 -0.085 0.000 1.111 100 S HN 0.672 nan 8.310 nan 0.000 0.457 101 S N 1.538 117.215 115.700 -0.039 0.000 2.492 101 S HA 0.027 4.498 4.470 0.001 0.000 0.218 101 S C 1.504 176.089 174.600 -0.025 0.000 1.016 101 S CA 1.070 59.252 58.200 -0.030 0.000 0.916 101 S CB -0.493 62.693 63.200 -0.023 0.000 0.791 101 S HN 0.897 nan 8.310 nan 0.000 0.513 102 T N -0.401 114.136 114.554 -0.028 0.000 3.039 102 T HA 0.374 4.724 4.350 0.001 0.000 0.250 102 T C 0.532 175.216 174.700 -0.028 0.000 1.052 102 T CA -0.190 61.892 62.100 -0.030 0.000 1.125 102 T CB -0.208 68.638 68.868 -0.035 0.000 0.908 102 T HN 0.162 nan 8.240 nan 0.000 0.473 103 L N 3.913 125.119 121.223 -0.028 0.000 2.276 103 L HA 0.459 4.800 4.340 0.001 0.000 0.286 103 L C 0.762 177.632 176.870 0.000 0.000 1.061 103 L CA -0.040 54.793 54.840 -0.012 0.000 0.807 103 L CB 0.934 42.966 42.059 -0.046 0.000 1.177 103 L HN 0.482 nan 8.230 nan 0.000 0.429 104 T N -1.189 113.419 114.554 0.090 0.000 2.927 104 T HA 0.126 4.477 4.350 0.001 0.000 0.281 104 T C 1.233 175.909 174.700 -0.040 0.000 0.998 104 T CA -0.063 62.056 62.100 0.031 0.000 1.019 104 T CB 1.373 70.276 68.868 0.059 0.000 1.061 104 T HN 0.616 nan 8.240 nan 0.000 0.518 105 T N -0.601 113.907 114.554 -0.077 0.000 2.929 105 T HA -0.157 4.194 4.350 0.001 0.000 0.271 105 T C 1.771 176.416 174.700 -0.092 0.000 1.085 105 T CA 1.797 63.838 62.100 -0.099 0.000 1.125 105 T CB -0.488 68.331 68.868 -0.081 0.000 0.874 105 T HN 0.668 nan 8.240 nan 0.000 0.494 106 Q N -0.279 119.447 119.800 -0.123 0.000 2.163 106 Q HA 0.007 4.347 4.340 0.001 0.000 0.198 106 Q C 1.996 177.898 176.000 -0.163 0.000 0.954 106 Q CA 1.404 57.106 55.803 -0.168 0.000 0.851 106 Q CB -0.365 28.224 28.738 -0.249 0.000 0.928 106 Q HN 0.652 nan 8.270 nan 0.000 0.459 107 H N -0.407 118.649 119.070 -0.024 0.000 2.495 107 H HA 0.031 4.587 4.556 0.001 0.000 0.287 107 H C 1.686 177.017 175.328 0.004 0.000 1.033 107 H CA 1.087 57.129 56.048 -0.009 0.000 1.307 107 H CB 0.319 30.073 29.762 -0.014 0.000 1.401 107 H HN 0.273 nan 8.280 nan 0.000 0.555 108 L N -0.454 120.809 121.223 0.066 0.000 2.127 108 L HA -0.096 4.245 4.340 0.001 0.000 0.203 108 L C 2.413 179.344 176.870 0.103 0.000 1.080 108 L CA 0.169 55.037 54.840 0.048 0.000 0.768 108 L CB -0.264 41.682 42.059 -0.189 0.000 0.924 108 L HN 0.116 nan 8.230 nan 0.000 0.444 109 L N 0.267 121.512 121.223 0.036 0.000 2.043 109 L HA -0.206 4.135 4.340 0.001 0.000 0.212 109 L C 0.377 177.285 176.870 0.063 0.000 1.075 109 L CA 1.806 56.673 54.840 0.046 0.000 0.752 109 L CB -0.501 41.558 42.059 0.001 0.000 0.891 109 L HN 0.177 nan 8.230 nan 0.000 0.432 110 D N -0.177 120.258 120.400 0.058 0.000 2.767 110 D HA 0.484 5.124 4.640 0.001 0.000 0.241 110 D C 0.301 176.655 176.300 0.090 0.000 1.187 110 D CA 0.462 54.500 54.000 0.063 0.000 0.999 110 D CB 0.094 40.923 40.800 0.048 0.000 1.042 110 D HN 0.284 nan 8.370 nan 0.000 0.510 111 G N 0.572 109.432 108.800 0.101 0.000 4.485 111 G HA2 0.235 4.196 3.960 0.001 0.000 0.238 111 G HA3 0.235 4.196 3.960 0.001 0.000 0.238 111 G C 0.220 175.164 174.900 0.073 0.000 1.216 111 G CA -0.287 44.870 45.100 0.094 0.000 0.611 111 G HN 0.278 nan 8.290 nan 0.000 0.422 112 L N -0.274 120.975 121.223 0.045 0.000 2.985 112 L HA 0.511 4.852 4.340 0.001 0.000 0.177 112 L C -0.978 175.886 176.870 -0.011 0.000 1.387 112 L CA -0.343 54.509 54.840 0.021 0.000 0.982 112 L CB -0.245 41.829 42.059 0.025 0.000 1.376 112 L HN 0.260 nan 8.230 nan 0.000 0.603 113 P HA 0.444 nan 4.420 nan 0.000 0.352 113 P C -1.625 175.675 177.300 -0.000 0.000 1.163 113 P CA -0.297 62.806 63.100 0.004 0.000 0.775 113 P CB 1.008 32.710 31.700 0.003 0.000 1.524 114 D N -1.560 118.842 120.400 0.004 0.000 10.912 114 D HA -0.102 4.539 4.640 0.001 0.000 0.354 114 D C 0.001 176.306 176.300 0.008 0.000 3.124 114 D CA 0.808 54.809 54.000 0.002 0.000 2.650 114 D CB -0.346 40.450 40.800 -0.006 0.000 1.178 114 D HN 0.260 nan 8.370 nan 0.000 0.937 122 A N 3.543 126.464 122.820 0.167 0.000 2.566 122 A HA 0.023 4.344 4.320 0.001 0.000 0.245 122 A C 0.350 178.027 177.584 0.155 0.000 1.056 122 A CA 0.276 52.386 52.037 0.121 0.000 0.757 122 A CB -0.061 18.979 19.000 0.066 0.000 0.979 122 A HN 0.610 nan 8.150 nan 0.000 0.508 123 D N 2.060 122.517 120.400 0.094 0.000 2.772 123 D HA 0.003 4.644 4.640 0.001 0.000 0.227 123 D C 0.709 177.052 176.300 0.071 0.000 1.114 123 D CA 1.146 55.189 54.000 0.071 0.000 0.832 123 D CB 0.451 41.277 40.800 0.044 0.000 1.154 123 D HN 0.467 nan 8.370 nan 0.000 0.514 124 S N 1.846 117.561 115.700 0.025 0.000 2.650 124 S HA 0.212 4.683 4.470 0.001 0.000 0.240 124 S C 0.713 175.317 174.600 0.006 0.000 1.007 124 S CA -0.530 57.669 58.200 -0.002 0.000 0.984 124 S CB 0.563 63.657 63.200 -0.176 0.000 0.910 124 S HN 0.540 nan 8.310 nan 0.000 0.509 125 I N 0.472 121.044 120.570 0.004 0.000 2.534 125 I HA 0.677 4.848 4.170 0.001 0.000 0.288 125 I C -1.685 174.395 176.117 -0.061 0.000 1.077 125 I CA -0.819 60.458 61.300 -0.040 0.000 1.051 125 I CB 1.735 39.709 38.000 -0.044 0.000 1.234 125 I HN -0.090 nan 8.210 nan 0.000 0.425 126 V N 7.260 127.116 119.914 -0.097 0.000 2.709 126 V HA 0.865 4.985 4.120 0.001 0.000 0.308 126 V C -0.335 175.660 176.094 -0.166 0.000 1.062 126 V CA -0.188 62.054 62.300 -0.097 0.000 0.901 126 V CB 1.929 33.728 31.823 -0.040 0.000 1.003 126 V HN 0.898 nan 8.190 nan 0.000 0.425 127 A N 5.615 128.340 122.820 -0.158 0.000 2.301 127 A HA 0.827 5.148 4.320 0.001 0.000 0.312 127 A C -0.850 176.656 177.584 -0.131 0.000 1.182 127 A CA -0.466 51.465 52.037 -0.176 0.000 0.826 127 A CB 1.461 20.357 19.000 -0.173 0.000 1.134 127 A HN 0.955 nan 8.150 nan 0.000 0.501 128 V N 2.743 122.576 119.914 -0.134 0.000 2.384 128 V HA 0.204 4.325 4.120 0.001 0.000 0.287 128 V C 0.178 176.219 176.094 -0.089 0.000 1.020 128 V CA -0.691 61.544 62.300 -0.108 0.000 0.850 128 V CB 1.469 33.218 31.823 -0.123 0.000 0.987 128 V HN 0.943 nan 8.190 nan 0.000 0.436 129 N N 4.179 122.839 118.700 -0.067 0.000 2.895 129 N HA 0.521 5.262 4.740 0.001 0.000 0.277 129 N C 0.090 175.572 175.510 -0.047 0.000 1.185 129 N CA 0.888 53.907 53.050 -0.051 0.000 1.106 129 N CB 0.090 38.555 38.487 -0.036 0.000 1.422 129 N HN 0.995 nan 8.380 nan 0.000 0.521 130 G N -0.526 108.242 108.800 -0.054 0.000 2.333 130 G HA2 0.393 4.354 3.960 0.001 0.000 0.288 130 G HA3 0.393 4.354 3.960 0.001 0.000 0.288 130 G C -0.417 174.449 174.900 -0.057 0.000 1.286 130 G CA -0.391 44.681 45.100 -0.048 0.000 0.865 130 G HN 0.540 nan 8.290 nan 0.000 0.506 131 G N -1.429 107.339 108.800 -0.053 0.000 2.606 131 G HA2 0.567 4.528 3.960 0.001 0.000 0.262 131 G HA3 0.567 4.528 3.960 0.001 0.000 0.262 131 G C 1.020 175.868 174.900 -0.087 0.000 1.394 131 G CA 0.206 45.271 45.100 -0.059 0.000 1.044 131 G HN 1.130 nan 8.290 nan 0.000 0.553 132 L N -0.475 120.689 121.223 -0.099 0.000 2.131 132 L HA 0.014 4.355 4.340 0.001 0.000 0.210 132 L C 2.555 179.321 176.870 -0.173 0.000 1.092 132 L CA 2.269 57.012 54.840 -0.163 0.000 0.759 132 L CB -0.442 41.503 42.059 -0.190 0.000 0.903 132 L HN 0.813 nan 8.230 nan 0.000 0.435 133 E N -1.146 118.989 120.200 -0.108 0.000 2.077 133 E HA -0.285 4.066 4.350 0.001 0.000 0.193 133 E C 2.051 178.603 176.600 -0.080 0.000 0.989 133 E CA 1.266 57.618 56.400 -0.080 0.000 0.800 133 E CB 0.058 29.739 29.700 -0.032 0.000 0.746 133 E HN 0.532 nan 8.360 nan 0.000 0.452 134 Q N -0.038 119.716 119.800 -0.076 0.000 2.167 134 Q HA -0.024 4.317 4.340 0.001 0.000 0.202 134 Q C 1.790 177.729 176.000 -0.102 0.000 0.970 134 Q CA 1.436 57.195 55.803 -0.073 0.000 0.855 134 Q CB -0.222 28.479 28.738 -0.062 0.000 0.911 134 Q HN 0.352 nan 8.270 nan 0.000 0.438 135 A N 0.114 122.855 122.820 -0.132 0.000 1.872 135 A HA -0.089 4.232 4.320 0.001 0.000 0.214 135 A C 1.967 179.441 177.584 -0.182 0.000 1.187 135 A CA 0.987 52.923 52.037 -0.169 0.000 0.614 135 A CB -0.612 18.280 19.000 -0.179 0.000 0.826 135 A HN 0.343 nan 8.150 nan 0.000 0.442 136 L N -0.930 120.184 121.223 -0.180 0.000 2.201 136 L HA -0.190 4.150 4.340 0.001 0.000 0.212 136 L C 2.812 179.620 176.870 -0.104 0.000 1.105 136 L CA 1.319 56.062 54.840 -0.161 0.000 0.775 136 L CB -0.433 41.514 42.059 -0.185 0.000 0.913 136 L HN 0.533 nan 8.230 nan 0.000 0.440 137 Q N 0.059 119.807 119.800 -0.086 0.000 2.046 137 Q HA -0.233 4.108 4.340 0.001 0.000 0.200 137 Q C 2.304 178.276 176.000 -0.046 0.000 0.975 137 Q CA 1.473 57.245 55.803 -0.050 0.000 0.836 137 Q CB -0.042 28.672 28.738 -0.039 0.000 0.896 137 Q HN 0.386 nan 8.270 nan 0.000 0.428 138 L N 0.418 121.591 121.223 -0.083 0.000 2.017 138 L HA -0.160 4.180 4.340 0.001 0.000 0.208 138 L C 1.834 178.633 176.870 -0.118 0.000 1.073 138 L CA 1.544 56.326 54.840 -0.096 0.000 0.745 138 L CB -0.229 41.720 42.059 -0.184 0.000 0.894 138 L HN 0.225 nan 8.230 nan 0.000 0.432 139 L N -0.358 120.745 121.223 -0.199 0.000 2.633 139 L HA -0.045 4.296 4.340 0.001 0.000 0.235 139 L C 2.162 179.040 176.870 0.013 0.000 1.163 139 L CA 0.584 55.332 54.840 -0.153 0.000 0.859 139 L CB -0.615 41.340 42.059 -0.173 0.000 0.973 139 L HN 0.379 nan 8.230 nan 0.000 0.451 140 A N -1.503 121.325 122.820 0.014 0.000 2.220 140 A HA 0.145 4.465 4.320 0.001 0.000 0.211 140 A C 1.278 178.905 177.584 0.071 0.000 1.176 140 A CA -0.120 51.933 52.037 0.027 0.000 0.834 140 A CB 0.006 19.003 19.000 -0.005 0.000 0.868 140 A HN 0.276 nan 8.150 nan 0.000 0.488 141 S N 1.726 117.500 115.700 0.123 0.000 2.566 141 S HA 0.167 4.638 4.470 0.001 0.000 0.280 141 S C -1.469 173.192 174.600 0.102 0.000 1.343 141 S CA -0.446 57.832 58.200 0.130 0.000 1.036 141 S CB 0.301 63.622 63.200 0.203 0.000 0.866 141 S HN 0.332 nan 8.310 nan 0.000 0.526 142 P HA -0.100 nan 4.420 nan 0.000 0.223 142 P C 0.242 177.520 177.300 -0.038 0.000 1.144 142 P CA 1.040 64.152 63.100 0.020 0.000 0.783 142 P CB -0.154 31.556 31.700 0.017 0.000 0.771 143 N N -1.337 117.301 118.700 -0.103 0.000 2.396 143 N HA -0.113 4.627 4.740 0.001 0.000 0.180 143 N C 0.969 176.162 175.510 -0.529 0.000 1.028 143 N CA 1.121 53.958 53.050 -0.356 0.000 0.893 143 N CB -0.609 37.543 38.487 -0.557 0.000 0.967 143 N HN 0.344 nan 8.380 nan 0.000 0.440 144 Y N -1.277 119.023 120.300 0.000 0.000 2.441 144 Y HA 0.339 4.890 4.550 0.001 0.000 0.266 144 Y C 0.156 176.054 175.900 -0.003 0.000 1.093 144 Y CA -0.145 57.953 58.100 -0.002 0.000 1.246 144 Y CB 0.486 38.941 38.460 -0.010 0.000 1.262 144 Y HN -0.231 nan 8.280 nan 0.000 0.518 145 T N 4.342 118.973 114.554 0.128 0.000 2.770 145 T HA 0.273 4.623 4.350 0.001 0.000 0.283 145 T C -2.437 172.287 174.700 0.039 0.000 0.988 145 T CA -1.378 60.764 62.100 0.070 0.000 0.957 145 T CB 1.706 70.608 68.868 0.056 0.000 0.930 145 T HN -0.067 nan 8.240 nan 0.000 0.443 146 P HA 0.190 nan 4.420 nan 0.000 0.262 146 P C 1.077 178.397 177.300 0.034 0.000 1.651 146 P CA -0.287 62.831 63.100 0.031 0.000 1.119 146 P CB -0.016 31.696 31.700 0.020 0.000 1.552 147 S N -0.546 115.174 115.700 0.035 0.000 2.383 147 S HA -0.025 4.445 4.470 0.001 0.000 0.227 147 S C 1.128 175.761 174.600 0.055 0.000 1.026 147 S CA 0.514 58.734 58.200 0.033 0.000 0.981 147 S CB -0.733 62.472 63.200 0.010 0.000 0.818 147 S HN 0.030 nan 8.310 nan 0.000 0.472 148 I N 2.860 123.478 120.570 0.080 0.000 2.379 148 I HA 0.271 4.441 4.170 0.001 0.000 0.290 148 I C 1.465 177.608 176.117 0.043 0.000 1.063 148 I CA -0.110 61.235 61.300 0.075 0.000 1.351 148 I CB 0.768 38.827 38.000 0.098 0.000 1.410 148 I HN 0.440 nan 8.210 nan 0.000 0.505 149 E N 4.424 124.644 120.200 0.033 0.000 2.046 149 E HA -0.049 4.301 4.350 0.001 0.000 0.190 149 E C -0.227 176.367 176.600 -0.011 0.000 0.982 149 E CA 1.013 57.425 56.400 0.020 0.000 0.800 149 E CB 0.481 30.196 29.700 0.026 0.000 0.756 149 E HN 0.627 nan 8.360 nan 0.000 0.449 150 T N 0.822 115.350 114.554 -0.043 0.000 2.921 150 T HA 0.378 4.728 4.350 0.001 0.000 0.297 150 T C -0.961 173.595 174.700 -0.241 0.000 1.013 150 T CA -0.701 61.288 62.100 -0.185 0.000 0.990 150 T CB 2.129 70.806 68.868 -0.320 0.000 1.023 150 T HN -0.122 nan 8.240 nan 0.000 0.447 151 V N 3.795 123.575 119.914 -0.223 0.000 2.498 151 V HA 0.422 4.543 4.120 0.001 0.000 0.279 151 V C -1.023 174.927 176.094 -0.240 0.000 1.048 151 V CA -0.495 61.731 62.300 -0.123 0.000 0.967 151 V CB 0.310 32.133 31.823 -0.001 0.000 0.988 151 V HN 0.779 nan 8.190 nan 0.000 0.473 152 Y N 2.421 122.791 120.300 0.117 0.000 2.376 152 Y HA 0.399 4.950 4.550 0.001 0.000 0.340 152 Y C 0.258 176.262 175.900 0.174 0.000 0.965 152 Y CA -0.672 57.519 58.100 0.151 0.000 1.078 152 Y CB 1.722 40.201 38.460 0.032 0.000 1.193 152 Y HN 0.644 nan 8.280 nan 0.000 0.452 153 C N 7.086 126.652 119.300 0.444 0.000 2.289 153 C HA 0.373 4.834 4.460 0.001 0.000 0.340 153 C C 1.457 176.643 174.990 0.327 0.000 1.152 153 C CA -0.650 58.561 59.018 0.322 0.000 1.650 153 C CB -2.275 25.710 27.740 0.409 0.000 2.203 153 C HN 0.897 nan 8.230 nan 0.000 0.511 154 I N 4.467 125.178 120.570 0.234 0.000 3.875 154 I HA 0.481 4.652 4.170 0.001 0.000 0.329 154 I C 1.043 177.186 176.117 0.043 0.000 1.295 154 I CA 0.672 62.138 61.300 0.276 0.000 1.129 154 I CB -0.513 37.725 38.000 0.396 0.000 1.008 154 I HN 0.822 nan 8.210 nan 0.000 0.413 155 G N 1.221 109.886 108.800 -0.225 0.000 2.516 155 G HA2 0.248 4.209 3.960 0.001 0.000 0.220 155 G HA3 0.248 4.209 3.960 0.001 0.000 0.220 155 G C 0.255 174.758 174.900 -0.662 0.000 1.165 155 G CA -0.118 44.371 45.100 -1.018 0.000 1.013 155 G HN 1.691 nan 8.290 nan 0.000 0.590 156 G N -1.600 106.809 108.800 -0.653 0.000 3.190 156 G HA2 0.444 4.405 3.960 0.001 0.000 0.686 156 G HA3 0.444 4.405 3.960 0.001 0.000 0.686 156 G C 1.487 176.229 174.900 -0.262 0.000 1.033 156 G CA 0.691 45.598 45.100 -0.322 0.000 0.797 156 G HN 2.370 nan 8.290 nan 0.000 0.567 157 G N 1.401 110.214 108.800 0.022 0.000 2.513 157 G HA2 -0.059 3.902 3.960 0.001 0.000 0.219 157 G HA3 -0.059 3.902 3.960 0.001 0.000 0.219 157 G C 2.388 177.390 174.900 0.171 0.000 1.160 157 G CA 2.551 47.775 45.100 0.206 0.000 0.767 157 G HN 2.240 nan 8.290 nan 0.000 0.571 158 S N -0.058 115.685 115.700 0.071 0.000 2.402 158 S HA -0.042 4.428 4.470 0.001 0.000 0.229 158 S C 2.289 176.918 174.600 0.049 0.000 1.021 158 S CA 1.444 59.682 58.200 0.063 0.000 0.974 158 S CB -0.298 62.920 63.200 0.029 0.000 0.800 158 S HN 0.145 nan 8.310 nan 0.000 0.484 159 V N 0.580 120.481 119.914 -0.023 0.000 2.323 159 V HA -0.090 4.031 4.120 0.001 0.000 0.244 159 V C 2.365 178.504 176.094 0.075 0.000 1.041 159 V CA 1.553 63.824 62.300 -0.048 0.000 1.025 159 V CB -1.165 30.557 31.823 -0.168 0.000 0.656 159 V HN 0.412 nan 8.190 nan 0.000 0.451 160 Y N 1.111 121.502 120.300 0.152 0.000 2.128 160 Y HA -0.221 4.330 4.550 0.001 0.000 0.284 160 Y C 2.618 178.672 175.900 0.255 0.000 1.154 160 Y CA 1.065 59.322 58.100 0.262 0.000 1.149 160 Y CB -1.382 37.290 38.460 0.354 0.000 0.976 160 Y HN 0.199 nan 8.280 nan 0.000 0.505 161 A N -0.262 122.765 122.820 0.347 0.000 1.933 161 A HA -0.244 4.077 4.320 0.001 0.000 0.218 161 A C 2.252 179.935 177.584 0.165 0.000 1.175 161 A CA 1.881 54.048 52.037 0.216 0.000 0.628 161 A CB -0.695 18.401 19.000 0.161 0.000 0.814 161 A HN 0.540 nan 8.150 nan 0.000 0.444 162 E N -0.394 119.894 120.200 0.147 0.000 2.152 162 E HA -0.020 4.330 4.350 0.001 0.000 0.192 162 E C 2.047 178.736 176.600 0.148 0.000 0.983 162 E CA 0.695 57.160 56.400 0.108 0.000 0.818 162 E CB -0.175 29.559 29.700 0.057 0.000 0.758 162 E HN 0.555 nan 8.360 nan 0.000 0.467 163 A N 0.626 123.584 122.820 0.229 0.000 2.015 163 A HA -0.053 4.268 4.320 0.001 0.000 0.219 163 A C 1.808 179.603 177.584 0.350 0.000 1.163 163 A CA 0.702 52.961 52.037 0.368 0.000 0.646 163 A CB -0.152 19.162 19.000 0.523 0.000 0.806 163 A HN 0.271 nan 8.150 nan 0.000 0.448 164 L N -0.805 120.568 121.223 0.249 0.000 2.791 164 L HA 0.241 4.582 4.340 0.001 0.000 0.239 164 L C 0.743 177.678 176.870 0.109 0.000 1.203 164 L CA -0.180 54.762 54.840 0.169 0.000 1.002 164 L CB -0.037 42.069 42.059 0.079 0.000 1.295 164 L HN 0.318 nan 8.230 nan 0.000 0.504 165 R N 0.915 121.476 120.500 0.101 0.000 2.686 165 R HA 0.449 4.789 4.340 0.001 0.000 0.283 165 R C -2.851 173.467 176.300 0.030 0.000 0.978 165 R CA -1.738 54.396 56.100 0.057 0.000 0.897 165 R CB 2.430 32.771 30.300 0.068 0.000 1.192 165 R HN -0.236 nan 8.270 nan 0.000 0.457 166 P HA 0.069 nan 4.420 nan 0.000 0.267 166 P C -2.080 175.269 177.300 0.081 0.000 1.200 166 P CA -0.784 62.329 63.100 0.021 0.000 0.772 166 P CB 0.502 32.273 31.700 0.118 0.000 0.855 167 P HA 0.067 nan 4.420 nan 0.000 0.245 167 P C 0.601 178.006 177.300 0.175 0.000 1.203 167 P CA 0.507 63.719 63.100 0.187 0.000 0.792 167 P CB -0.099 31.698 31.700 0.162 0.000 0.997 168 C N -0.245 119.137 119.300 0.137 0.000 2.425 168 C HA -0.084 4.377 4.460 0.001 0.000 0.277 168 C C 2.786 177.978 174.990 0.337 0.000 1.280 168 C CA 0.756 59.907 59.018 0.221 0.000 1.744 168 C CB -1.623 26.207 27.740 0.151 0.000 1.989 168 C HN 0.131 nan 8.230 nan 0.000 0.491 169 V N 0.871 120.878 119.914 0.154 0.000 2.469 169 V HA -0.216 3.904 4.120 0.001 0.000 0.251 169 V C 2.320 178.444 176.094 0.051 0.000 1.064 169 V CA 2.000 64.368 62.300 0.112 0.000 1.066 169 V CB -0.763 31.064 31.823 0.006 0.000 0.667 169 V HN 0.629 nan 8.190 nan 0.000 0.461 170 H N -0.719 118.467 119.070 0.193 0.000 2.561 170 H HA 0.078 4.635 4.556 0.001 0.000 0.278 170 H C 1.624 177.055 175.328 0.171 0.000 1.014 170 H CA 1.056 57.188 56.048 0.140 0.000 1.211 170 H CB 0.068 29.904 29.762 0.124 0.000 1.365 170 H HN 0.413 nan 8.280 nan 0.000 0.594 171 L N 0.587 121.990 121.223 0.299 0.000 2.808 171 L HA 0.121 4.461 4.340 0.001 0.000 0.246 171 L C 0.064 176.942 176.870 0.012 0.000 1.153 171 L CA -0.243 54.765 54.840 0.280 0.000 0.956 171 L CB 0.627 42.907 42.059 0.368 0.000 1.270 171 L HN -0.017 nan 8.230 nan 0.000 0.528 172 L N 0.464 121.604 121.223 -0.139 0.000 2.283 172 L HA 0.169 4.510 4.340 0.001 0.000 0.287 172 L C 1.106 177.946 176.870 -0.050 0.000 1.073 172 L CA 0.715 55.287 54.840 -0.447 0.000 0.822 172 L CB 0.628 42.595 42.059 -0.152 0.000 1.186 172 L HN 0.132 nan 8.230 nan 0.000 0.436 173 Q N 4.295 124.037 119.800 -0.096 0.000 2.339 173 Q HA 0.399 4.740 4.340 0.001 0.000 0.205 173 Q C -0.018 176.037 176.000 0.093 0.000 0.925 173 Q CA 0.746 56.568 55.803 0.031 0.000 0.898 173 Q CB 0.662 29.424 28.738 0.040 0.000 1.013 173 Q HN 0.748 nan 8.270 nan 0.000 0.504 174 A N 0.587 123.465 122.820 0.097 0.000 2.594 174 A HA 0.607 4.928 4.320 0.001 0.000 0.296 174 A C -1.424 176.142 177.584 -0.030 0.000 1.061 174 A CA -0.676 51.390 52.037 0.048 0.000 0.689 174 A CB 0.989 19.930 19.000 -0.098 0.000 1.280 174 A HN 0.124 nan 8.150 nan 0.000 0.406 175 I N 1.510 121.987 120.570 -0.155 0.000 2.378 175 I HA 0.366 4.537 4.170 0.001 0.000 0.291 175 I C -1.326 174.661 176.117 -0.218 0.000 0.992 175 I CA -0.450 60.758 61.300 -0.155 0.000 1.154 175 I CB 1.375 39.211 38.000 -0.273 0.000 1.315 175 I HN 0.615 nan 8.210 nan 0.000 0.448 176 Y N 5.646 126.014 120.300 0.112 0.000 2.491 176 Y HA 0.435 4.986 4.550 0.001 0.000 0.334 176 Y C 0.276 176.261 175.900 0.140 0.000 0.969 176 Y CA -0.544 57.668 58.100 0.187 0.000 1.241 176 Y CB 0.774 39.402 38.460 0.280 0.000 1.105 176 Y HN 0.453 nan 8.280 nan 0.000 0.503 177 R N 2.036 122.645 120.500 0.183 0.000 2.295 177 R HA 0.478 4.819 4.340 0.001 0.000 0.324 177 R C -0.894 175.450 176.300 0.072 0.000 0.968 177 R CA -0.344 55.804 56.100 0.080 0.000 0.837 177 R CB 0.800 31.119 30.300 0.031 0.000 1.133 177 R HN 0.518 nan 8.270 nan 0.000 0.450 178 T N 3.132 117.721 114.554 0.059 0.000 2.845 178 T HA 0.251 4.601 4.350 0.001 0.000 0.288 178 T C -0.481 174.051 174.700 -0.281 0.000 0.980 178 T CA -0.160 61.908 62.100 -0.054 0.000 1.071 178 T CB 1.493 70.420 68.868 0.098 0.000 0.941 178 T HN 0.499 nan 8.240 nan 0.000 0.487 179 T N 4.544 118.747 114.554 -0.584 0.000 2.791 179 T HA 0.422 4.773 4.350 0.001 0.000 0.288 179 T C -0.013 174.316 174.700 -0.618 0.000 0.999 179 T CA -0.713 60.969 62.100 -0.697 0.000 0.952 179 T CB 0.420 68.632 68.868 -1.094 0.000 0.938 179 T HN 0.344 nan 8.240 nan 0.000 0.444 180 I N 3.373 123.595 120.570 -0.581 0.000 2.325 180 I HA 0.273 4.444 4.170 0.001 0.000 0.291 180 I C 1.048 176.927 176.117 -0.397 0.000 1.019 180 I CA -0.456 60.504 61.300 -0.566 0.000 1.302 180 I CB 0.700 38.054 38.000 -1.076 0.000 1.401 180 I HN 0.496 nan 8.210 nan 0.000 0.485 181 R N 4.790 125.164 120.500 -0.210 0.000 4.556 181 R HA 0.456 4.797 4.340 0.001 0.000 0.197 181 R C 0.044 176.280 176.300 -0.105 0.000 1.791 181 R CA -0.100 55.935 56.100 -0.109 0.000 1.526 181 R CB 0.016 30.302 30.300 -0.023 0.000 1.410 181 R HN 0.732 nan 8.270 nan 0.000 0.826 182 A N 0.085 122.811 122.820 -0.157 0.000 2.387 182 A HA 0.734 5.055 4.320 0.001 0.000 0.298 182 A C -0.677 176.871 177.584 -0.060 0.000 1.165 182 A CA -0.619 51.366 52.037 -0.086 0.000 0.814 182 A CB 2.229 21.188 19.000 -0.068 0.000 1.357 182 A HN 0.210 nan 8.150 nan 0.000 0.443 183 S N -0.300 115.399 115.700 -0.001 0.000 2.584 183 S HA 0.534 5.004 4.470 0.001 0.000 0.280 183 S C -1.496 173.136 174.600 0.053 0.000 1.162 183 S CA -0.368 57.850 58.200 0.029 0.000 0.951 183 S CB 0.805 64.020 63.200 0.026 0.000 1.108 183 S HN 1.131 nan 8.310 nan 0.000 0.464 184 E N 2.431 122.676 120.200 0.076 0.000 2.456 184 E HA 0.514 4.865 4.350 0.001 0.000 0.278 184 E C -0.206 176.438 176.600 0.073 0.000 1.034 184 E CA -0.643 55.799 56.400 0.070 0.000 0.846 184 E CB 0.463 30.206 29.700 0.071 0.000 1.460 184 E HN 0.352 nan 8.360 nan 0.000 0.463 185 S N 0.474 116.209 115.700 0.058 0.000 2.357 185 S HA -0.150 4.321 4.470 0.001 0.000 0.221 185 S C 1.849 176.479 174.600 0.049 0.000 1.031 185 S CA 1.816 60.051 58.200 0.059 0.000 0.982 185 S CB -0.555 62.671 63.200 0.044 0.000 0.853 185 S HN 0.689 nan 8.310 nan 0.000 0.458 186 S N 0.878 116.594 115.700 0.026 0.000 2.413 186 S HA -0.169 4.302 4.470 0.001 0.000 0.237 186 S C 0.994 175.576 174.600 -0.031 0.000 1.044 186 S CA 0.697 58.895 58.200 -0.003 0.000 1.024 186 S CB -1.387 61.801 63.200 -0.021 0.000 0.829 186 S HN 0.467 nan 8.310 nan 0.000 0.475 187 C N 3.106 122.377 119.300 -0.048 0.000 2.638 187 C HA 0.453 4.914 4.460 0.001 0.000 0.410 187 C C 2.028 176.894 174.990 -0.206 0.000 1.404 187 C CA 0.230 59.141 59.018 -0.178 0.000 1.651 187 C CB -0.164 27.425 27.740 -0.251 0.000 2.495 187 C HN 0.780 nan 8.230 nan 0.000 0.606 188 S N 1.860 117.441 115.700 -0.199 0.000 2.575 188 S HA 0.154 4.625 4.470 0.001 0.000 0.230 188 S C 0.051 174.664 174.600 0.021 0.000 1.062 188 S CA -0.035 58.163 58.200 -0.003 0.000 0.913 188 S CB -0.093 63.131 63.200 0.040 0.000 0.837 188 S HN 0.495 nan 8.310 nan 0.000 0.487 189 V N 2.249 122.058 119.914 -0.174 0.000 2.483 189 V HA 0.665 4.786 4.120 0.001 0.000 0.295 189 V C -1.002 174.972 176.094 -0.201 0.000 1.035 189 V CA -0.745 61.551 62.300 -0.006 0.000 0.896 189 V CB 0.759 32.610 31.823 0.047 0.000 0.986 189 V HN 0.338 nan 8.190 nan 0.000 0.447 190 F N 2.947 122.981 119.950 0.140 0.000 2.593 190 F HA 0.692 5.219 4.527 0.001 0.000 0.320 190 F C -0.660 175.264 175.800 0.207 0.000 1.060 190 F CA -0.921 57.168 58.000 0.149 0.000 0.940 190 F CB 2.112 41.164 39.000 0.086 0.000 1.268 190 F HN 0.438 nan 8.300 nan 0.000 0.475 191 F N 3.341 123.401 119.950 0.184 0.000 2.499 191 F HA 0.600 5.128 4.527 0.001 0.000 0.333 191 F C -0.892 174.922 175.800 0.024 0.000 1.138 191 F CA -0.584 57.440 58.000 0.041 0.000 0.945 191 F CB 0.775 39.692 39.000 -0.137 0.000 1.181 191 F HN 0.284 nan 8.300 nan 0.000 0.435 192 R N 5.492 125.663 120.500 -0.549 0.000 2.480 192 R HA 0.493 4.834 4.340 0.001 0.000 0.306 192 R C -1.482 174.430 176.300 -0.648 0.000 0.958 192 R CA -0.997 54.850 56.100 -0.423 0.000 0.861 192 R CB 2.182 32.366 30.300 -0.193 0.000 1.171 192 R HN 0.426 nan 8.270 nan 0.000 0.445 193 V N 5.475 125.083 119.914 -0.510 0.000 2.408 193 V HA 0.179 4.300 4.120 0.001 0.000 0.267 193 V C -1.790 174.186 176.094 -0.198 0.000 1.047 193 V CA -1.567 60.468 62.300 -0.443 0.000 0.937 193 V CB 0.977 32.565 31.823 -0.393 0.000 0.999 193 V HN 0.564 nan 8.190 nan 0.000 0.472 194 P HA 0.187 nan 4.420 nan 0.000 0.268 194 P C -0.086 177.269 177.300 0.092 0.000 1.205 194 P CA -0.172 62.937 63.100 0.015 0.000 0.771 194 P CB 0.588 32.334 31.700 0.076 0.000 0.858 195 E N 0.521 120.755 120.200 0.057 0.000 2.390 195 E HA 0.143 4.494 4.350 0.001 0.000 0.261 195 E C 0.119 176.765 176.600 0.078 0.000 1.076 195 E CA -0.298 56.143 56.400 0.068 0.000 0.905 195 E CB 0.421 30.141 29.700 0.034 0.000 0.984 195 E HN 0.300 nan 8.360 nan 0.000 0.427 196 S N 1.020 116.763 115.700 0.072 0.000 2.596 196 S HA 0.173 4.643 4.470 0.001 0.000 0.298 196 S C 0.905 175.522 174.600 0.027 0.000 1.255 196 S CA 1.067 59.294 58.200 0.046 0.000 1.083 196 S CB -0.273 62.946 63.200 0.032 0.000 0.837 196 S HN 0.796 nan 8.310 nan 0.000 0.499 197 G N 3.224 112.037 108.800 0.020 0.000 2.136 197 G HA2 -0.244 3.716 3.960 0.001 0.000 0.242 197 G HA3 -0.244 3.716 3.960 0.001 0.000 0.242 197 G C 0.157 175.069 174.900 0.019 0.000 0.989 197 G CA 0.359 45.467 45.100 0.014 0.000 0.682 197 G HN 1.139 nan 8.290 nan 0.000 0.522 198 T N -2.899 111.672 114.554 0.028 0.000 2.927 198 T HA 0.666 5.017 4.350 0.001 0.000 0.281 198 T C 1.061 175.779 174.700 0.030 0.000 0.998 198 T CA 0.257 62.372 62.100 0.025 0.000 1.019 198 T CB 2.081 70.964 68.868 0.025 0.000 1.061 198 T HN 0.149 nan 8.240 nan 0.000 0.518 199 E N 0.617 120.832 120.200 0.025 0.000 2.077 199 E HA -0.125 4.226 4.350 0.001 0.000 0.193 199 E C 2.424 179.046 176.600 0.036 0.000 0.989 199 E CA 1.179 57.596 56.400 0.029 0.000 0.800 199 E CB -0.400 29.313 29.700 0.022 0.000 0.746 199 E HN 0.812 nan 8.360 nan 0.000 0.452 200 A N 1.261 124.099 122.820 0.031 0.000 2.024 200 A HA -0.127 4.193 4.320 0.001 0.000 0.220 200 A C 2.324 179.943 177.584 0.059 0.000 1.164 200 A CA 1.556 53.614 52.037 0.035 0.000 0.643 200 A CB -0.505 18.504 19.000 0.016 0.000 0.806 200 A HN 0.300 nan 8.150 nan 0.000 0.451 201 A N -1.245 121.618 122.820 0.071 0.000 2.067 201 A HA 0.322 4.643 4.320 0.001 0.000 0.219 201 A C 1.728 179.366 177.584 0.091 0.000 1.158 201 A CA 1.452 53.554 52.037 0.108 0.000 0.661 201 A CB -0.919 18.137 19.000 0.094 0.000 0.801 201 A HN 2.103 nan 8.150 nan 0.000 0.452 202 A N -2.968 119.898 122.820 0.076 0.000 2.822 202 A HA 0.174 4.495 4.320 0.001 0.000 0.287 202 A C 1.958 179.617 177.584 0.125 0.000 1.479 202 A CA 1.487 53.584 52.037 0.100 0.000 0.779 202 A CB -1.955 17.095 19.000 0.082 0.000 1.022 202 A HN 2.559 nan 8.150 nan 0.000 0.532 203 G N -2.680 106.160 108.800 0.066 0.000 2.225 203 G HA2 -0.236 3.724 3.960 0.001 0.000 0.254 203 G HA3 -0.236 3.724 3.960 0.001 0.000 0.254 203 G C 0.220 175.109 174.900 -0.018 0.000 0.988 203 G CA 0.484 45.605 45.100 0.035 0.000 0.625 203 G HN 1.487 nan 8.290 nan 0.000 0.527 204 I N 1.368 121.910 120.570 -0.046 0.000 2.472 204 I HA 0.397 4.568 4.170 0.001 0.000 0.290 204 I C 0.266 176.236 176.117 -0.245 0.000 1.016 204 I CA -0.237 60.929 61.300 -0.223 0.000 1.348 204 I CB 1.160 38.935 38.000 -0.376 0.000 1.417 204 I HN 0.123 nan 8.210 nan 0.000 0.521 205 E N 5.568 125.578 120.200 -0.317 0.000 2.256 205 E HA 0.179 4.529 4.350 0.001 0.000 0.243 205 E C -1.573 174.891 176.600 -0.227 0.000 0.925 205 E CA -0.503 55.787 56.400 -0.183 0.000 0.748 205 E CB 0.645 30.283 29.700 -0.104 0.000 1.206 205 E HN 0.399 nan 8.360 nan 0.000 0.428 206 W N 2.653 123.949 121.300 -0.007 0.000 2.251 206 W HA 0.056 4.717 4.660 0.001 0.000 0.327 206 W C 0.756 177.271 176.519 -0.006 0.000 1.361 206 W CA -0.071 57.268 57.345 -0.009 0.000 1.234 206 W CB 0.575 30.031 29.460 -0.008 0.000 1.212 206 W HN 0.249 nan 8.180 nan 0.000 0.557 207 Q N 2.496 122.442 119.800 0.244 0.000 2.387 207 Q HA 0.408 4.748 4.340 0.001 0.000 0.273 207 Q C -0.641 175.446 176.000 0.145 0.000 1.089 207 Q CA -1.480 54.408 55.803 0.140 0.000 0.824 207 Q CB 2.603 31.383 28.738 0.070 0.000 1.367 207 Q HN 0.436 nan 8.270 nan 0.000 0.443 208 R N 1.580 122.141 120.500 0.102 0.000 2.216 208 R HA 0.057 4.398 4.340 0.001 0.000 0.332 208 R C 0.753 177.102 176.300 0.082 0.000 1.056 208 R CA 0.206 56.359 56.100 0.088 0.000 0.901 208 R CB 0.606 30.949 30.300 0.071 0.000 1.039 208 R HN 0.781 nan 8.270 nan 0.000 0.456 209 E N 2.221 122.472 120.200 0.085 0.000 2.086 209 E HA -0.030 4.320 4.350 0.001 0.000 0.190 209 E C -0.398 176.262 176.600 0.100 0.000 0.975 209 E CA 1.102 57.561 56.400 0.100 0.000 0.813 209 E CB 0.443 30.203 29.700 0.101 0.000 0.768 209 E HN 0.743 nan 8.360 nan 0.000 0.457 210 T N -1.343 113.267 114.554 0.094 0.000 2.894 210 T HA 0.591 4.942 4.350 0.001 0.000 0.309 210 T C -0.679 174.082 174.700 0.101 0.000 1.208 210 T CA -0.844 61.315 62.100 0.099 0.000 1.016 210 T CB 1.946 70.887 68.868 0.122 0.000 1.192 210 T HN 0.124 nan 8.240 nan 0.000 0.491 211 I N 2.105 122.727 120.570 0.088 0.000 2.534 211 I HA 0.535 4.706 4.170 0.001 0.000 0.288 211 I C 0.153 176.316 176.117 0.076 0.000 1.077 211 I CA -0.531 60.824 61.300 0.092 0.000 1.051 211 I CB 2.049 40.075 38.000 0.042 0.000 1.234 211 I HN 1.058 nan 8.210 nan 0.000 0.425 212 S N 4.842 120.612 115.700 0.116 0.000 2.600 212 S HA 0.324 4.794 4.470 0.001 0.000 0.265 212 S C 0.098 174.686 174.600 -0.020 0.000 1.325 212 S CA -0.526 57.724 58.200 0.082 0.000 1.002 212 S CB 0.788 64.082 63.200 0.157 0.000 0.921 212 S HN 0.715 nan 8.310 nan 0.000 0.554 213 E N 0.329 120.502 120.200 -0.046 0.000 2.410 213 E HA 0.081 4.432 4.350 0.001 0.000 0.255 213 E C -0.025 176.473 176.600 -0.170 0.000 1.194 213 E CA -0.205 56.132 56.400 -0.104 0.000 0.955 213 E CB 0.358 30.010 29.700 -0.080 0.000 0.988 213 E HN 0.749 nan 8.360 nan 0.000 0.461 214 E N 1.376 121.458 120.200 -0.197 0.000 2.324 214 E HA 0.112 4.462 4.350 0.001 0.000 0.271 214 E C -1.089 175.341 176.600 -0.284 0.000 1.028 214 E CA -0.060 56.202 56.400 -0.230 0.000 0.890 214 E CB 0.365 29.953 29.700 -0.187 0.000 1.004 214 E HN 0.244 nan 8.360 nan 0.000 0.431 215 L N 3.201 124.115 121.223 -0.515 0.000 2.319 215 L HA 0.475 4.816 4.340 0.001 0.000 0.267 215 L C -0.224 176.378 176.870 -0.446 0.000 1.011 215 L CA -0.905 53.586 54.840 -0.582 0.000 0.818 215 L CB 2.324 43.804 42.059 -0.965 0.000 1.316 215 L HN 0.498 nan 8.230 nan 0.000 0.432 216 T N 0.168 114.648 114.554 -0.123 0.000 2.779 216 T HA 0.236 4.586 4.350 0.001 0.000 0.280 216 T C -0.183 174.667 174.700 0.251 0.000 0.987 216 T CA -0.409 61.730 62.100 0.065 0.000 0.966 216 T CB 1.568 70.451 68.868 0.026 0.000 0.933 216 T HN 0.509 nan 8.240 nan 0.000 0.442 217 S N 1.864 117.739 115.700 0.292 0.000 2.548 217 S HA 0.450 4.921 4.470 0.001 0.000 0.277 217 S C 0.760 175.410 174.600 0.084 0.000 1.315 217 S CA -0.789 57.513 58.200 0.169 0.000 1.050 217 S CB 0.181 63.384 63.200 0.005 0.000 0.918 217 S HN 0.829 nan 8.310 nan 0.000 0.497 218 A N 4.612 127.470 122.820 0.063 0.000 3.135 218 A HA 0.234 4.555 4.320 0.001 0.000 0.253 218 A C 0.845 178.441 177.584 0.020 0.000 1.638 218 A CA -0.549 51.513 52.037 0.041 0.000 1.295 218 A CB -0.859 18.168 19.000 0.044 0.000 1.106 218 A HN 0.847 nan 8.150 nan 0.000 0.648 219 N N -0.355 118.354 118.700 0.015 0.000 2.234 219 N HA 0.288 5.029 4.740 0.001 0.000 0.227 219 N C 0.890 176.405 175.510 0.009 0.000 1.151 219 N CA 0.640 53.693 53.050 0.004 0.000 0.865 219 N CB 0.296 38.780 38.487 -0.005 0.000 1.066 219 N HN 0.673 nan 8.380 nan 0.000 0.515 220 G N 0.694 109.501 108.800 0.013 0.000 2.956 220 G HA2 -0.305 3.656 3.960 0.001 0.000 0.210 220 G HA3 -0.305 3.656 3.960 0.001 0.000 0.210 220 G C 0.103 175.011 174.900 0.013 0.000 1.316 220 G CA -0.002 45.105 45.100 0.011 0.000 0.819 220 G HN 0.488 nan 8.290 nan 0.000 0.544 221 N N 1.534 120.243 118.700 0.015 0.000 2.290 221 N HA 0.475 5.215 4.740 0.001 0.000 0.269 221 N C 0.045 175.566 175.510 0.020 0.000 1.295 221 N CA 0.336 53.396 53.050 0.016 0.000 0.932 221 N CB 0.086 38.584 38.487 0.017 0.000 1.128 221 N HN 0.475 nan 8.380 nan 0.000 0.532 222 E N -0.479 119.732 120.200 0.019 0.000 3.351 222 E HA 0.202 4.553 4.350 0.001 0.000 0.220 222 E C -0.951 175.666 176.600 0.028 0.000 1.150 222 E CA -0.258 56.157 56.400 0.024 0.000 1.359 222 E CB -0.039 29.670 29.700 0.015 0.000 1.365 222 E HN 0.327 nan 8.360 nan 0.000 0.434 223 T N 2.524 117.099 114.554 0.036 0.000 2.761 223 T HA 0.054 4.404 4.350 0.001 0.000 0.287 223 T C 0.342 175.093 174.700 0.085 0.000 0.931 223 T CA -0.285 61.834 62.100 0.031 0.000 1.164 223 T CB 0.228 69.099 68.868 0.004 0.000 0.876 223 T HN -0.019 nan 8.240 nan 0.000 0.534 224 K N 3.468 123.892 120.400 0.040 0.000 2.295 224 K HA 0.336 4.657 4.320 0.001 0.000 0.270 224 K C -0.237 176.399 176.600 0.060 0.000 1.011 224 K CA -0.278 56.022 56.287 0.022 0.000 0.953 224 K CB 0.606 33.093 32.500 -0.022 0.000 0.956 224 K HN 0.810 nan 8.250 nan 0.000 0.477 225 Y N -0.825 119.395 120.300 -0.134 0.000 2.641 225 Y HA 0.561 5.111 4.550 0.001 0.000 0.333 225 Y C -1.539 174.211 175.900 -0.251 0.000 1.174 225 Y CA -1.654 56.285 58.100 -0.268 0.000 1.057 225 Y CB 0.928 39.163 38.460 -0.375 0.000 1.322 225 Y HN 0.618 nan 8.280 nan 0.000 0.457 226 Y N -0.305 119.711 120.300 -0.473 0.000 2.609 226 Y HA 0.837 5.388 4.550 0.001 0.000 0.336 226 Y C -2.277 173.276 175.900 -0.578 0.000 1.129 226 Y CA -2.586 55.149 58.100 -0.610 0.000 1.040 226 Y CB 1.157 39.409 38.460 -0.347 0.000 1.310 226 Y HN 0.527 nan 8.280 nan 0.000 0.460 227 F N 1.184 121.113 119.950 -0.035 0.000 2.458 227 F HA 0.657 5.184 4.527 0.001 0.000 0.330 227 F C -0.111 175.693 175.800 0.006 0.000 1.082 227 F CA -0.897 57.008 58.000 -0.158 0.000 0.995 227 F CB 1.988 40.723 39.000 -0.442 0.000 1.170 227 F HN 0.646 nan 8.300 nan 0.000 0.478 228 E N 0.937 121.259 120.200 0.204 0.000 2.340 228 E HA 0.422 4.773 4.350 0.001 0.000 0.273 228 E C -1.741 174.935 176.600 0.127 0.000 0.891 228 E CA -1.295 55.209 56.400 0.173 0.000 0.757 228 E CB 2.952 32.754 29.700 0.170 0.000 1.231 228 E HN 0.541 nan 8.360 nan 0.000 0.439 229 K N 3.407 123.855 120.400 0.079 0.000 2.307 229 K HA 0.396 4.716 4.320 0.001 0.000 0.263 229 K C -1.255 175.322 176.600 -0.039 0.000 0.973 229 K CA -0.619 55.630 56.287 -0.063 0.000 0.846 229 K CB 0.918 33.378 32.500 -0.066 0.000 1.100 229 K HN 0.572 nan 8.250 nan 0.000 0.438 230 L N 6.622 127.803 121.223 -0.070 0.000 2.329 230 L HA 0.605 4.946 4.340 0.001 0.000 0.279 230 L C -0.003 176.986 176.870 0.199 0.000 1.014 230 L CA -1.092 53.793 54.840 0.074 0.000 0.814 230 L CB 1.439 43.522 42.059 0.039 0.000 1.257 230 L HN 0.592 nan 8.230 nan 0.000 0.424 231 I N 0.409 121.157 120.570 0.298 0.000 2.730 231 I HA 0.636 4.806 4.170 0.001 0.000 0.298 231 I C -2.752 173.426 176.117 0.102 0.000 1.089 231 I CA -2.514 58.933 61.300 0.245 0.000 1.041 231 I CB 2.724 40.770 38.000 0.076 0.000 1.235 231 I HN 0.272 nan 8.210 nan 0.000 0.423 232 P HA 0.200 nan 4.420 nan 0.000 0.287 232 P C -0.684 176.422 177.300 -0.323 0.000 1.294 232 P CA -0.327 62.395 63.100 -0.630 0.000 0.776 232 P CB 0.922 32.090 31.700 -0.888 0.000 0.889 233 R N 3.778 124.124 120.500 -0.257 0.000 2.526 233 R HA -0.091 4.250 4.340 0.001 0.000 0.319 233 R C 0.312 176.509 176.300 -0.173 0.000 0.888 233 R CA 0.223 56.228 56.100 -0.159 0.000 1.127 233 R CB -0.377 29.850 30.300 -0.121 0.000 0.888 233 R HN 0.354 nan 8.270 nan 0.000 0.410 234 N N 4.410 123.010 118.700 -0.166 0.000 2.807 234 N HA 0.024 4.764 4.740 0.001 0.000 0.259 234 N C 0.527 175.953 175.510 -0.140 0.000 1.149 234 N CA -0.102 52.820 53.050 -0.213 0.000 1.042 234 N CB 0.458 38.742 38.487 -0.338 0.000 1.367 234 N HN 0.489 nan 8.380 nan 0.000 0.516 235 R N 1.659 122.094 120.500 -0.108 0.000 2.096 235 R HA -0.100 4.241 4.340 0.001 0.000 0.235 235 R C 1.088 177.349 176.300 -0.066 0.000 1.127 235 R CA 1.073 57.127 56.100 -0.077 0.000 0.968 235 R CB 0.060 30.315 30.300 -0.075 0.000 0.861 235 R HN 0.640 nan 8.270 nan 0.000 0.440 236 E N 0.479 120.651 120.200 -0.048 0.000 2.051 236 E HA -0.218 4.133 4.350 0.001 0.000 0.192 236 E C 1.931 178.591 176.600 0.100 0.000 0.991 236 E CA 1.261 57.647 56.400 -0.024 0.000 0.799 236 E CB -0.024 29.799 29.700 0.205 0.000 0.748 236 E HN 0.374 nan 8.360 nan 0.000 0.449 237 E N 0.815 121.111 120.200 0.160 0.000 2.150 237 E HA -0.207 4.144 4.350 0.001 0.000 0.193 237 E C 1.687 178.406 176.600 0.198 0.000 0.985 237 E CA 1.000 57.551 56.400 0.253 0.000 0.814 237 E CB 0.139 29.898 29.700 0.099 0.000 0.752 237 E HN 0.243 nan 8.360 nan 0.000 0.466 238 E N 0.227 120.473 120.200 0.076 0.000 2.153 238 E HA -0.223 4.128 4.350 0.001 0.000 0.194 238 E C 2.143 178.769 176.600 0.044 0.000 0.988 238 E CA 0.792 57.222 56.400 0.051 0.000 0.811 238 E CB -0.025 29.673 29.700 -0.003 0.000 0.746 238 E HN 0.393 nan 8.360 nan 0.000 0.466 239 Q N 0.097 119.912 119.800 0.024 0.000 1.998 239 Q HA -0.270 4.071 4.340 0.001 0.000 0.209 239 Q C 2.063 178.097 176.000 0.056 0.000 1.002 239 Q CA 2.155 57.954 55.803 -0.007 0.000 0.858 239 Q CB -0.468 28.215 28.738 -0.092 0.000 0.932 239 Q HN 0.377 nan 8.270 nan 0.000 0.416 240 Y N 1.310 121.630 120.300 0.033 0.000 2.053 240 Y HA -0.302 4.249 4.550 0.001 0.000 0.277 240 Y C 1.950 177.867 175.900 0.028 0.000 1.159 240 Y CA 1.864 60.002 58.100 0.063 0.000 1.125 240 Y CB -0.454 38.100 38.460 0.158 0.000 0.969 240 Y HN 0.046 nan 8.280 nan 0.000 0.492 241 L N -0.669 120.587 121.223 0.056 0.000 2.012 241 L HA -0.293 4.048 4.340 0.001 0.000 0.210 241 L C 2.540 179.342 176.870 -0.113 0.000 1.073 241 L CA 1.705 56.506 54.840 -0.065 0.000 0.748 241 L CB -0.929 41.165 42.059 0.058 0.000 0.891 241 L HN 0.216 nan 8.230 nan 0.000 0.431 242 S N 0.091 115.750 115.700 -0.068 0.000 2.370 242 S HA -0.200 4.271 4.470 0.001 0.000 0.226 242 S C 1.841 176.380 174.600 -0.102 0.000 1.033 242 S CA 1.398 59.555 58.200 -0.072 0.000 1.011 242 S CB -0.371 62.797 63.200 -0.054 0.000 0.852 242 S HN 0.234 nan 8.310 nan 0.000 0.457 243 L N 1.900 123.042 121.223 -0.134 0.000 2.056 243 L HA 0.011 4.352 4.340 0.001 0.000 0.207 243 L C 2.211 178.970 176.870 -0.185 0.000 1.078 243 L CA 1.441 56.191 54.840 -0.149 0.000 0.749 243 L CB -0.913 41.054 42.059 -0.152 0.000 0.901 243 L HN 0.136 nan 8.230 nan 0.000 0.433 244 V N -0.071 119.672 119.914 -0.286 0.000 2.287 244 V HA -0.337 3.783 4.120 0.001 0.000 0.248 244 V C 2.367 178.375 176.094 -0.143 0.000 1.053 244 V CA 2.092 64.237 62.300 -0.259 0.000 1.027 244 V CB -0.843 30.767 31.823 -0.355 0.000 0.646 244 V HN 0.520 nan 8.190 nan 0.000 0.447 245 D N -0.294 120.033 120.400 -0.121 0.000 2.144 245 D HA -0.216 4.425 4.640 0.001 0.000 0.199 245 D C 2.363 178.626 176.300 -0.062 0.000 0.984 245 D CA 1.361 55.316 54.000 -0.075 0.000 0.834 245 D CB -0.167 40.595 40.800 -0.063 0.000 0.955 245 D HN 0.247 nan 8.370 nan 0.000 0.465 246 R N -0.355 120.104 120.500 -0.069 0.000 2.115 246 R HA -0.018 4.323 4.340 0.001 0.000 0.230 246 R C 2.304 178.575 176.300 -0.049 0.000 1.111 246 R CA 0.814 56.881 56.100 -0.054 0.000 0.976 246 R CB -0.148 30.118 30.300 -0.057 0.000 0.870 246 R HN 0.302 nan 8.270 nan 0.000 0.445 247 I N 0.286 120.819 120.570 -0.061 0.000 2.252 247 I HA -0.265 3.906 4.170 0.001 0.000 0.245 247 I C 2.048 178.142 176.117 -0.038 0.000 1.102 247 I CA 1.160 62.430 61.300 -0.050 0.000 1.385 247 I CB -0.082 37.881 38.000 -0.063 0.000 1.064 247 I HN 0.168 nan 8.210 nan 0.000 0.414 248 I N 0.385 120.932 120.570 -0.039 0.000 2.315 248 I HA -0.247 3.924 4.170 0.001 0.000 0.248 248 I C 2.512 178.616 176.117 -0.022 0.000 1.117 248 I CA 1.421 62.706 61.300 -0.025 0.000 1.404 248 I CB -0.304 37.683 38.000 -0.021 0.000 1.071 248 I HN 0.164 nan 8.210 nan 0.000 0.419 249 R N 0.211 120.696 120.500 -0.025 0.000 2.140 249 R HA 0.033 4.374 4.340 0.001 0.000 0.213 249 R C 1.429 177.717 176.300 -0.019 0.000 1.059 249 R CA 0.771 56.859 56.100 -0.021 0.000 1.000 249 R CB 0.031 30.318 30.300 -0.022 0.000 0.910 249 R HN 0.315 nan 8.270 nan 0.000 0.455 250 E N -0.151 120.036 120.200 -0.021 0.000 2.601 250 E HA 0.139 4.490 4.350 0.001 0.000 0.219 250 E C 0.120 176.711 176.600 -0.015 0.000 0.964 250 E CA -0.369 56.021 56.400 -0.017 0.000 1.050 250 E CB 1.334 31.023 29.700 -0.017 0.000 1.068 250 E HN 0.232 nan 8.360 nan 0.000 0.496 251 G N 0.884 109.672 108.800 -0.020 0.000 2.503 251 G HA2 0.126 4.087 3.960 0.001 0.000 0.257 251 G HA3 0.126 4.087 3.960 0.001 0.000 0.257 251 G C -0.047 174.838 174.900 -0.024 0.000 1.214 251 G CA -0.507 44.581 45.100 -0.019 0.000 0.839 251 G HN 0.017 nan 8.290 nan 0.000 0.559 252 N N -0.452 118.232 118.700 -0.026 0.000 2.515 252 N HA 0.177 4.918 4.740 0.001 0.000 0.279 252 N C -0.163 175.308 175.510 -0.065 0.000 1.164 252 N CA -0.425 52.603 53.050 -0.037 0.000 0.982 252 N CB 2.052 40.519 38.487 -0.032 0.000 1.170 252 N HN 0.128 nan 8.380 nan 0.000 0.474 253 V N 1.884 121.752 119.914 -0.076 0.000 2.488 253 V HA 0.159 4.280 4.120 0.001 0.000 0.277 253 V C 0.519 176.505 176.094 -0.180 0.000 1.046 253 V CA 0.197 62.415 62.300 -0.137 0.000 0.986 253 V CB 0.097 31.854 31.823 -0.111 0.000 0.989 253 V HN 0.518 nan 8.190 nan 0.000 0.475 254 K N 2.996 123.228 120.400 -0.281 0.000 2.443 254 K HA 0.648 4.969 4.320 0.001 0.000 0.251 254 K C -1.460 174.868 176.600 -0.453 0.000 0.972 254 K CA -1.047 55.083 56.287 -0.261 0.000 0.833 254 K CB 2.361 34.760 32.500 -0.169 0.000 1.317 254 K HN 0.741 nan 8.250 nan 0.000 0.441 255 H N 0.609 119.652 119.070 -0.045 0.000 2.609 255 H HA 0.105 4.662 4.556 0.001 0.000 0.344 255 H C -0.594 174.719 175.328 -0.024 0.000 1.040 255 H CA -0.826 55.208 56.048 -0.023 0.000 1.216 255 H CB 1.289 31.048 29.762 -0.005 0.000 1.529 255 H HN 0.635 nan 8.280 nan 0.000 0.519 256 D N 1.456 121.910 120.400 0.090 0.000 2.398 256 D HA 0.038 4.678 4.640 0.001 0.000 0.264 256 D C 1.330 177.683 176.300 0.089 0.000 1.263 256 D CA -0.572 53.464 54.000 0.060 0.000 1.037 256 D CB 0.868 41.708 40.800 0.065 0.000 1.101 256 D HN 0.251 nan 8.370 nan 0.000 0.551 257 R N -1.010 119.540 120.500 0.085 0.000 2.112 257 R HA -0.158 4.182 4.340 0.001 0.000 0.242 257 R C 2.282 178.626 176.300 0.074 0.000 1.137 257 R CA 2.332 58.481 56.100 0.081 0.000 0.944 257 R CB -1.632 28.727 30.300 0.100 0.000 0.857 257 R HN 0.837 nan 8.270 nan 0.000 0.435 258 T N -2.876 111.729 114.554 0.085 0.000 2.951 258 T HA 0.022 4.373 4.350 0.001 0.000 0.268 258 T C 1.358 176.090 174.700 0.054 0.000 1.073 258 T CA 1.713 63.853 62.100 0.067 0.000 1.134 258 T CB 0.189 69.096 68.868 0.064 0.000 0.884 258 T HN 0.498 nan 8.240 nan 0.000 0.479 259 G N 0.033 108.880 108.800 0.078 0.000 2.183 259 G HA2 -0.104 3.856 3.960 0.001 0.000 0.168 259 G HA3 -0.104 3.856 3.960 0.001 0.000 0.168 259 G C -0.054 174.926 174.900 0.134 0.000 1.008 259 G CA -0.165 44.975 45.100 0.067 0.000 0.677 259 G HN 0.655 nan 8.290 nan 0.000 0.498 260 V N 1.533 121.544 119.914 0.161 0.000 2.614 260 V HA 0.574 4.694 4.120 0.001 0.000 0.291 260 V C 1.603 177.863 176.094 0.278 0.000 1.049 260 V CA 0.356 62.770 62.300 0.189 0.000 1.038 260 V CB 1.292 33.181 31.823 0.111 0.000 0.980 260 V HN 0.717 nan 8.190 nan 0.000 0.481 261 G N 3.287 112.240 108.800 0.255 0.000 2.491 261 G HA2 0.411 4.372 3.960 0.001 0.000 0.238 261 G HA3 0.411 4.372 3.960 0.001 0.000 0.238 261 G C -0.159 174.721 174.900 -0.033 0.000 1.277 261 G CA 0.147 45.278 45.100 0.052 0.000 0.851 261 G HN 0.708 nan 8.290 nan 0.000 0.573 262 T N 0.724 115.138 114.554 -0.233 0.000 2.932 262 T HA 0.441 4.792 4.350 0.001 0.000 0.318 262 T C -0.599 173.979 174.700 -0.202 0.000 1.265 262 T CA -0.457 61.489 62.100 -0.256 0.000 1.036 262 T CB 1.121 69.746 68.868 -0.405 0.000 1.209 262 T HN 0.382 nan 8.240 nan 0.000 0.484 263 L N 2.514 123.656 121.223 -0.135 0.000 2.313 263 L HA 0.764 5.104 4.340 0.001 0.000 0.283 263 L C -0.036 176.805 176.870 -0.049 0.000 1.013 263 L CA -0.647 54.143 54.840 -0.083 0.000 0.816 263 L CB 1.819 43.848 42.059 -0.050 0.000 1.236 263 L HN 0.525 nan 8.230 nan 0.000 0.419 264 S N 3.531 119.209 115.700 -0.037 0.000 2.538 264 S HA 0.818 5.288 4.470 0.001 0.000 0.288 264 S C -0.778 173.833 174.600 0.019 0.000 1.108 264 S CA -0.570 57.634 58.200 0.006 0.000 0.971 264 S CB 1.492 64.685 63.200 -0.011 0.000 1.041 264 S HN 0.447 nan 8.310 nan 0.000 0.483 265 I N 1.019 121.615 120.570 0.043 0.000 2.957 265 I HA 0.827 4.998 4.170 0.001 0.000 0.310 265 I C -1.438 174.775 176.117 0.160 0.000 1.063 265 I CA -0.986 60.356 61.300 0.070 0.000 1.033 265 I CB 1.511 39.523 38.000 0.021 0.000 1.230 265 I HN 0.526 nan 8.210 nan 0.000 0.447 266 F N 3.371 123.308 119.950 -0.022 0.000 2.449 266 F HA 0.783 5.311 4.527 0.001 0.000 0.342 266 F C 0.395 176.184 175.800 -0.018 0.000 1.127 266 F CA -0.373 57.618 58.000 -0.015 0.000 0.975 266 F CB 1.100 40.097 39.000 -0.005 0.000 1.146 266 F HN 1.068 nan 8.300 nan 0.000 0.444 267 G N 4.290 112.768 108.800 -0.536 0.000 3.421 267 G HA2 0.479 4.440 3.960 0.001 0.000 0.656 267 G HA3 0.479 4.440 3.960 0.001 0.000 0.656 267 G C -1.149 173.598 174.900 -0.254 0.000 1.007 267 G CA -0.258 44.519 45.100 -0.539 0.000 0.811 267 G HN 1.631 nan 8.290 nan 0.000 0.433 268 A N 2.383 125.081 122.820 -0.204 0.000 2.602 268 A HA 0.987 5.307 4.320 0.001 0.000 0.290 268 A C -0.428 177.086 177.584 -0.117 0.000 1.114 268 A CA -0.034 51.920 52.037 -0.138 0.000 0.683 268 A CB 2.042 20.969 19.000 -0.121 0.000 1.281 268 A HN 1.460 nan 8.150 nan 0.000 0.416 269 Q N 0.293 120.040 119.800 -0.089 0.000 2.281 269 Q HA 0.666 5.006 4.340 0.001 0.000 0.263 269 Q C -1.762 174.203 176.000 -0.059 0.000 0.989 269 Q CA -0.260 55.507 55.803 -0.060 0.000 0.852 269 Q CB 1.782 30.484 28.738 -0.060 0.000 1.337 269 Q HN 0.812 nan 8.270 nan 0.000 0.418 270 M N 2.082 121.669 119.600 -0.022 0.000 2.662 270 M HA 0.618 5.099 4.480 0.001 0.000 0.310 270 M C -0.820 175.428 176.300 -0.086 0.000 1.204 270 M CA -0.764 54.483 55.300 -0.088 0.000 0.891 270 M CB 2.704 35.278 32.600 -0.043 0.000 1.732 270 M HN 0.434 nan 8.290 nan 0.000 0.467 271 R N 1.418 121.730 120.500 -0.314 0.000 2.575 271 R HA 0.728 5.068 4.340 0.001 0.000 0.293 271 R C -2.221 173.816 176.300 -0.438 0.000 0.983 271 R CA -0.321 55.658 56.100 -0.202 0.000 0.887 271 R CB 1.452 31.675 30.300 -0.129 0.000 1.184 271 R HN 0.608 nan 8.270 nan 0.000 0.445 272 F N 0.964 120.933 119.950 0.030 0.000 2.565 272 F HA 0.365 4.893 4.527 0.001 0.000 0.313 272 F C 0.237 176.046 175.800 0.014 0.000 1.091 272 F CA -0.775 57.243 58.000 0.030 0.000 0.915 272 F CB 2.458 41.450 39.000 -0.013 0.000 1.208 272 F HN 0.347 nan 8.300 nan 0.000 0.453 273 S N 2.336 118.151 115.700 0.193 0.000 2.475 273 S HA 0.408 4.879 4.470 0.001 0.000 0.281 273 S C 0.242 174.892 174.600 0.084 0.000 1.198 273 S CA -0.510 57.759 58.200 0.115 0.000 1.063 273 S CB 0.449 63.699 63.200 0.084 0.000 0.972 273 S HN 0.569 nan 8.310 nan 0.000 0.486 274 L N 4.566 125.831 121.223 0.070 0.000 2.607 274 L HA 0.360 4.700 4.340 0.001 0.000 0.228 274 L C 1.298 178.203 176.870 0.058 0.000 1.123 274 L CA 0.527 55.394 54.840 0.045 0.000 0.890 274 L CB -0.776 41.320 42.059 0.061 0.000 1.103 274 L HN 0.632 nan 8.230 nan 0.000 0.468 275 R N 1.709 122.248 120.500 0.066 0.000 2.570 275 R HA 0.022 4.363 4.340 0.001 0.000 0.277 275 R C 0.188 176.546 176.300 0.097 0.000 1.039 275 R CA -0.064 56.079 56.100 0.072 0.000 1.065 275 R CB -0.005 30.329 30.300 0.058 0.000 0.964 275 R HN 0.256 nan 8.270 nan 0.000 0.428 276 N N 2.875 121.638 118.700 0.106 0.000 2.696 276 N HA -0.235 4.506 4.740 0.001 0.000 0.256 276 N C -0.734 174.909 175.510 0.222 0.000 1.031 276 N CA 1.233 54.368 53.050 0.143 0.000 0.730 276 N CB -1.144 37.430 38.487 0.145 0.000 0.894 276 N HN 0.830 nan 8.380 nan 0.000 0.544 277 N N -2.385 116.426 118.700 0.185 0.000 2.863 277 N HA -0.211 4.530 4.740 0.001 0.000 0.245 277 N C -0.313 175.312 175.510 0.192 0.000 1.001 277 N CA 1.184 54.368 53.050 0.224 0.000 0.901 277 N CB -0.418 38.233 38.487 0.274 0.000 1.124 277 N HN 0.465 nan 8.380 nan 0.000 0.582 278 R N 0.557 121.102 120.500 0.075 0.000 2.698 278 R HA 0.327 4.668 4.340 0.001 0.000 0.266 278 R C -0.088 176.097 176.300 -0.193 0.000 1.026 278 R CA 0.005 56.003 56.100 -0.170 0.000 1.102 278 R CB 0.283 30.538 30.300 -0.074 0.000 0.978 278 R HN 0.320 nan 8.270 nan 0.000 0.436 279 L N 5.219 126.237 121.223 -0.341 0.000 2.491 279 L HA 0.354 4.695 4.340 0.001 0.000 0.267 279 L C -2.242 174.223 176.870 -0.675 0.000 0.971 279 L CA -1.447 53.145 54.840 -0.413 0.000 0.857 279 L CB 2.444 44.236 42.059 -0.446 0.000 1.226 279 L HN 0.406 nan 8.230 nan 0.000 0.408 280 P HA 0.061 nan 4.420 nan 0.000 0.231 280 P C -0.437 176.251 177.300 -1.020 0.000 1.756 280 P CA 0.124 62.284 63.100 -1.567 0.000 0.990 280 P CB -0.198 30.846 31.700 -1.093 0.000 1.973 281 L N 2.358 123.149 121.223 -0.722 0.000 2.342 281 L HA 0.120 4.461 4.340 0.001 0.000 0.285 281 L C 0.749 177.660 176.870 0.067 0.000 1.095 281 L CA -0.918 53.694 54.840 -0.379 0.000 0.843 281 L CB 0.355 41.997 42.059 -0.695 0.000 1.201 281 L HN 0.050 nan 8.230 nan 0.000 0.445 282 L N 3.792 125.076 121.223 0.100 0.000 2.543 282 L HA -0.093 4.248 4.340 0.001 0.000 0.285 282 L C 1.604 178.693 176.870 0.364 0.000 1.236 282 L CA 0.927 55.933 54.840 0.278 0.000 0.871 282 L CB 0.852 42.908 42.059 -0.005 0.000 1.121 282 L HN 0.693 nan 8.230 nan 0.000 0.501 283 T N -4.001 110.751 114.554 0.331 0.000 3.014 283 T HA -0.023 4.328 4.350 0.001 0.000 0.250 283 T C 1.306 176.180 174.700 0.290 0.000 1.060 283 T CA 0.487 62.749 62.100 0.270 0.000 1.040 283 T CB -0.227 68.757 68.868 0.192 0.000 0.971 283 T HN 0.654 nan 8.240 nan 0.000 0.497 284 T N -0.674 114.025 114.554 0.241 0.000 3.085 284 T HA 0.220 4.570 4.350 0.001 0.000 0.263 284 T C 0.450 175.233 174.700 0.137 0.000 1.127 284 T CA 0.133 62.333 62.100 0.168 0.000 1.103 284 T CB -0.128 68.777 68.868 0.061 0.000 0.921 284 T HN 0.511 nan 8.240 nan 0.000 0.510 285 K N 0.716 121.210 120.400 0.157 0.000 2.561 285 K HA 0.355 4.676 4.320 0.001 0.000 0.254 285 K C -1.118 175.577 176.600 0.159 0.000 0.942 285 K CA -0.813 55.555 56.287 0.134 0.000 0.818 285 K CB 2.063 34.630 32.500 0.112 0.000 1.306 285 K HN 0.060 nan 8.250 nan 0.000 0.435 286 R N 2.992 123.579 120.500 0.144 0.000 2.484 286 R HA 0.118 4.458 4.340 0.001 0.000 0.293 286 R C -0.850 175.602 176.300 0.253 0.000 1.023 286 R CA -0.128 56.089 56.100 0.196 0.000 1.037 286 R CB 0.488 30.870 30.300 0.136 0.000 0.951 286 R HN 0.288 nan 8.270 nan 0.000 0.418 287 V N 6.484 126.599 119.914 0.336 0.000 2.439 287 V HA 0.102 4.223 4.120 0.001 0.000 0.282 287 V C 0.093 176.377 176.094 0.317 0.000 1.039 287 V CA -0.520 61.935 62.300 0.259 0.000 0.913 287 V CB 1.076 32.974 31.823 0.126 0.000 0.983 287 V HN 0.642 nan 8.190 nan 0.000 0.460 288 F N 6.192 126.218 119.950 0.128 0.000 2.685 288 F HA 0.082 4.609 4.527 0.001 0.000 0.349 288 F C 1.018 176.799 175.800 -0.032 0.000 1.294 288 F CA -0.902 57.160 58.000 0.103 0.000 1.201 288 F CB -0.356 38.742 39.000 0.164 0.000 1.615 288 F HN 0.815 nan 8.300 nan 0.000 0.674 289 W N 5.082 126.263 121.300 -0.198 0.000 2.338 289 W HA -0.231 4.429 4.660 0.001 0.000 0.304 289 W C 1.847 178.067 176.519 -0.499 0.000 1.212 289 W CA 1.609 58.719 57.345 -0.392 0.000 1.264 289 W CB -0.255 29.032 29.460 -0.288 0.000 1.142 289 W HN 0.516 nan 8.180 nan 0.000 0.512 290 R N 0.527 120.696 120.500 -0.551 0.000 2.105 290 R HA -0.144 4.196 4.340 0.001 0.000 0.239 290 R C 2.541 178.265 176.300 -0.960 0.000 1.135 290 R CA 2.171 57.885 56.100 -0.644 0.000 0.967 290 R CB -0.963 29.222 30.300 -0.191 0.000 0.861 290 R HN 0.257 nan 8.270 nan 0.000 0.442 291 G N -0.408 107.420 108.800 -1.621 0.000 2.394 291 G HA2 -0.169 3.792 3.960 0.001 0.000 0.215 291 G HA3 -0.169 3.792 3.960 0.001 0.000 0.215 291 G C 1.388 175.881 174.900 -0.678 0.000 1.165 291 G CA 0.667 45.075 45.100 -1.152 0.000 0.784 291 G HN 0.207 nan 8.290 nan 0.000 0.535 292 V N 0.301 119.596 119.914 -1.032 0.000 2.332 292 V HA -0.242 3.879 4.120 0.001 0.000 0.248 292 V C 2.942 178.525 176.094 -0.852 0.000 1.055 292 V CA 1.836 63.496 62.300 -1.066 0.000 1.038 292 V CB -0.733 30.369 31.823 -1.203 0.000 0.651 292 V HN 0.574 nan 8.190 nan 0.000 0.450 293 C N 0.201 118.807 119.300 -1.158 0.000 2.453 293 C HA -0.096 4.365 4.460 0.001 0.000 0.277 293 C C 2.818 177.508 174.990 -0.500 0.000 1.262 293 C CA 0.967 59.418 59.018 -0.945 0.000 1.718 293 C CB -0.983 26.070 27.740 -1.145 0.000 2.031 293 C HN 0.601 nan 8.230 nan 0.000 0.480 294 E N 0.397 120.319 120.200 -0.462 0.000 2.153 294 E HA -0.203 4.147 4.350 0.001 0.000 0.194 294 E C 2.055 178.503 176.600 -0.254 0.000 0.988 294 E CA 1.078 57.303 56.400 -0.291 0.000 0.811 294 E CB -0.531 28.998 29.700 -0.285 0.000 0.746 294 E HN 0.767 nan 8.360 nan 0.000 0.466 295 E N 0.518 120.524 120.200 -0.323 0.000 2.112 295 E HA -0.119 4.231 4.350 0.001 0.000 0.190 295 E C 2.206 178.515 176.600 -0.485 0.000 0.979 295 E CA 0.207 56.377 56.400 -0.385 0.000 0.814 295 E CB 0.082 29.603 29.700 -0.298 0.000 0.762 295 E HN 0.089 nan 8.360 nan 0.000 0.460 296 L N 0.684 121.733 121.223 -0.290 0.000 2.056 296 L HA -0.163 4.177 4.340 0.001 0.000 0.207 296 L C 2.124 179.022 176.870 0.046 0.000 1.078 296 L CA 1.006 55.811 54.840 -0.058 0.000 0.749 296 L CB -0.234 41.817 42.059 -0.013 0.000 0.901 296 L HN 0.160 nan 8.230 nan 0.000 0.433 297 L N -1.394 119.832 121.223 0.006 0.000 2.083 297 L HA -0.221 4.120 4.340 0.001 0.000 0.209 297 L C 2.173 179.107 176.870 0.107 0.000 1.083 297 L CA 1.731 56.617 54.840 0.077 0.000 0.752 297 L CB -1.629 40.467 42.059 0.062 0.000 0.899 297 L HN 0.548 nan 8.230 nan 0.000 0.433 298 W N -0.262 120.942 121.300 -0.160 0.000 2.355 298 W HA -0.258 4.403 4.660 0.001 0.000 0.309 298 W C 2.408 178.863 176.519 -0.106 0.000 1.206 298 W CA 1.353 58.595 57.345 -0.172 0.000 1.284 298 W CB -0.377 28.905 29.460 -0.297 0.000 1.145 298 W HN 0.061 nan 8.180 nan 0.000 0.502 299 F N 0.506 120.411 119.950 -0.075 0.000 2.025 299 F HA -0.277 4.251 4.527 0.001 0.000 0.297 299 F C 2.480 178.080 175.800 -0.333 0.000 1.132 299 F CA 1.657 59.379 58.000 -0.462 0.000 1.191 299 F CB -1.687 36.916 39.000 -0.663 0.000 0.963 299 F HN -0.158 nan 8.300 nan 0.000 0.481 300 L N -0.552 120.774 121.223 0.171 0.000 2.089 300 L HA -0.266 4.075 4.340 0.001 0.000 0.213 300 L C 2.495 179.413 176.870 0.079 0.000 1.079 300 L CA 1.419 56.380 54.840 0.201 0.000 0.758 300 L CB -0.531 41.651 42.059 0.206 0.000 0.891 300 L HN 0.138 nan 8.230 nan 0.000 0.433 301 R N -0.409 120.105 120.500 0.022 0.000 2.316 301 R HA -0.032 4.309 4.340 0.001 0.000 0.202 301 R C 1.307 177.580 176.300 -0.045 0.000 1.029 301 R CA 0.606 56.705 56.100 -0.002 0.000 1.018 301 R CB -0.093 30.210 30.300 0.005 0.000 0.888 301 R HN 0.529 nan 8.270 nan 0.000 0.471 302 G N 1.213 109.944 108.800 -0.115 0.000 2.143 302 G HA2 -0.304 3.657 3.960 0.001 0.000 0.248 302 G HA3 -0.304 3.657 3.960 0.001 0.000 0.248 302 G C -0.216 174.594 174.900 -0.150 0.000 0.991 302 G CA 0.159 45.198 45.100 -0.101 0.000 0.689 302 G HN 0.329 nan 8.290 nan 0.000 0.522 303 E N 0.033 119.977 120.200 -0.427 0.000 2.398 303 E HA 0.532 4.882 4.350 0.001 0.000 0.263 303 E C 1.612 177.740 176.600 -0.785 0.000 1.046 303 E CA 0.926 56.974 56.400 -0.587 0.000 0.908 303 E CB 0.651 29.739 29.700 -1.019 0.000 0.963 303 E HN 0.538 nan 8.360 nan 0.000 0.431 304 T N 0.150 114.524 114.554 -0.300 0.000 3.087 304 T HA 0.079 4.430 4.350 0.001 0.000 0.283 304 T C -0.260 174.561 174.700 0.201 0.000 0.956 304 T CA -0.376 61.622 62.100 -0.170 0.000 0.894 304 T CB -0.219 68.566 68.868 -0.138 0.000 1.160 304 T HN 0.316 nan 8.240 nan 0.000 0.532 305 Y N 2.754 123.135 120.300 0.136 0.000 2.452 305 Y HA 0.706 5.257 4.550 0.001 0.000 0.348 305 Y C 1.251 177.288 175.900 0.229 0.000 0.985 305 Y CA -1.806 56.322 58.100 0.047 0.000 1.214 305 Y CB 0.862 39.247 38.460 -0.124 0.000 1.136 305 Y HN 0.242 nan 8.280 nan 0.000 0.523 306 A N 5.194 127.962 122.820 -0.086 0.000 2.167 306 A HA -0.040 4.281 4.320 0.001 0.000 0.214 306 A C 2.160 179.467 177.584 -0.461 0.000 1.151 306 A CA 0.795 52.644 52.037 -0.313 0.000 0.735 306 A CB -0.339 18.533 19.000 -0.212 0.000 0.802 306 A HN 0.807 nan 8.150 nan 0.000 0.467 307 K N 0.498 120.442 120.400 -0.760 0.000 2.209 307 K HA -0.110 4.211 4.320 0.001 0.000 0.204 307 K C 1.649 178.009 176.600 -0.400 0.000 1.048 307 K CA 1.355 57.260 56.287 -0.636 0.000 0.940 307 K CB -0.125 31.849 32.500 -0.877 0.000 0.729 307 K HN 0.426 nan 8.250 nan 0.000 0.451 308 K N 0.046 120.253 120.400 -0.322 0.000 2.280 308 K HA -0.142 4.179 4.320 0.001 0.000 0.202 308 K C 1.670 178.144 176.600 -0.210 0.000 1.047 308 K CA 0.736 56.959 56.287 -0.107 0.000 0.942 308 K CB 0.049 32.639 32.500 0.149 0.000 0.739 308 K HN 0.087 nan 8.250 nan 0.000 0.457 309 L N 0.272 121.255 121.223 -0.400 0.000 2.168 309 L HA -0.056 4.285 4.340 0.001 0.000 0.203 309 L C 2.338 179.002 176.870 -0.343 0.000 1.078 309 L CA 1.555 56.129 54.840 -0.443 0.000 0.780 309 L CB -0.655 41.009 42.059 -0.659 0.000 0.939 309 L HN 0.094 nan 8.230 nan 0.000 0.451 310 S N -1.560 113.947 115.700 -0.323 0.000 2.428 310 S HA -0.130 4.340 4.470 0.001 0.000 0.230 310 S C 1.543 175.999 174.600 -0.239 0.000 1.014 310 S CA 0.898 58.894 58.200 -0.340 0.000 0.957 310 S CB -0.457 62.667 63.200 -0.127 0.000 0.784 310 S HN 0.341 nan 8.310 nan 0.000 0.499 311 D N 1.944 122.244 120.400 -0.166 0.000 2.263 311 D HA 0.007 4.648 4.640 0.001 0.000 0.208 311 D C 1.349 177.596 176.300 -0.090 0.000 0.971 311 D CA 0.967 54.911 54.000 -0.093 0.000 0.867 311 D CB -0.108 40.651 40.800 -0.068 0.000 0.929 311 D HN 0.531 nan 8.370 nan 0.000 0.492 312 K N -0.704 119.614 120.400 -0.137 0.000 2.397 312 K HA 0.256 4.577 4.320 0.001 0.000 0.202 312 K C 0.834 177.363 176.600 -0.118 0.000 1.022 312 K CA 0.219 56.442 56.287 -0.107 0.000 1.141 312 K CB 1.078 33.511 32.500 -0.112 0.000 0.857 312 K HN 0.049 nan 8.250 nan 0.000 0.514 313 G N 1.192 109.872 108.800 -0.201 0.000 2.143 313 G HA2 -0.222 3.739 3.960 0.001 0.000 0.248 313 G HA3 -0.222 3.739 3.960 0.001 0.000 0.248 313 G C -0.047 174.691 174.900 -0.269 0.000 0.991 313 G CA -0.028 44.944 45.100 -0.214 0.000 0.689 313 G HN 0.142 nan 8.290 nan 0.000 0.522 314 V N 0.645 120.350 119.914 -0.348 0.000 2.311 314 V HA 0.449 4.570 4.120 0.001 0.000 0.275 314 V C 0.645 176.558 176.094 -0.302 0.000 1.022 314 V CA -0.500 61.713 62.300 -0.145 0.000 0.830 314 V CB 0.975 32.725 31.823 -0.123 0.000 1.012 314 V HN 0.431 nan 8.190 nan 0.000 0.452 315 H N 4.013 123.107 119.070 0.040 0.000 2.505 315 H HA 0.224 4.781 4.556 0.001 0.000 0.289 315 H C 1.865 177.163 175.328 -0.050 0.000 1.052 315 H CA 0.036 56.071 56.048 -0.022 0.000 1.156 315 H CB 0.221 29.962 29.762 -0.035 0.000 1.507 315 H HN 0.786 nan 8.280 nan 0.000 0.548 316 I N -2.704 117.869 120.570 0.005 0.000 2.454 316 I HA -0.152 4.018 4.170 0.001 0.000 0.254 316 I C 0.915 176.847 176.117 -0.308 0.000 1.156 316 I CA 1.320 62.519 61.300 -0.168 0.000 1.433 316 I CB -0.102 37.731 38.000 -0.279 0.000 1.082 316 I HN 0.143 nan 8.210 nan 0.000 0.432 317 W N 1.608 122.807 121.300 -0.169 0.000 3.316 317 W HA 0.173 4.833 4.660 0.001 0.000 0.327 317 W C 1.490 177.930 176.519 -0.132 0.000 1.232 317 W CA -0.318 56.929 57.345 -0.163 0.000 1.805 317 W CB -0.039 29.282 29.460 -0.232 0.000 1.090 317 W HN 0.094 nan 8.180 nan 0.000 0.654 318 D N 0.413 120.847 120.400 0.056 0.000 2.084 318 D HA -0.196 4.444 4.640 0.001 0.000 0.196 318 D C 1.737 178.036 176.300 -0.003 0.000 0.985 318 D CA 1.646 55.672 54.000 0.043 0.000 0.826 318 D CB -0.187 40.647 40.800 0.057 0.000 0.978 318 D HN 0.013 nan 8.370 nan 0.000 0.456 319 D N 0.371 120.728 120.400 -0.073 0.000 2.092 319 D HA -0.110 4.531 4.640 0.001 0.000 0.193 319 D C 1.403 177.556 176.300 -0.246 0.000 0.994 319 D CA 0.766 54.691 54.000 -0.125 0.000 0.828 319 D CB -0.419 40.278 40.800 -0.172 0.000 0.963 319 D HN 0.321 nan 8.370 nan 0.000 0.450 320 N N 0.228 118.706 118.700 -0.371 0.000 2.609 320 N HA -0.046 4.695 4.740 0.001 0.000 0.190 320 N C 1.446 176.930 175.510 -0.043 0.000 1.157 320 N CA 0.500 53.165 53.050 -0.642 0.000 0.918 320 N CB 0.334 38.626 38.487 -0.326 0.000 0.978 320 N HN 0.153 nan 8.380 nan 0.000 0.448 321 G N 0.325 109.180 108.800 0.093 0.000 3.228 321 G HA2 0.013 3.973 3.960 0.001 0.000 0.245 321 G HA3 0.013 3.973 3.960 0.001 0.000 0.245 321 G C 0.325 175.336 174.900 0.185 0.000 1.051 321 G CA -0.230 44.983 45.100 0.189 0.000 0.809 321 G HN 0.225 nan 8.290 nan 0.000 0.531 322 S N -0.191 115.617 115.700 0.180 0.000 2.584 322 S HA 0.381 4.852 4.470 0.001 0.000 0.273 322 S C 1.351 176.068 174.600 0.195 0.000 1.311 322 S CA -0.475 57.822 58.200 0.161 0.000 1.034 322 S CB 2.455 65.729 63.200 0.124 0.000 0.939 322 S HN 0.119 nan 8.310 nan 0.000 0.513 323 R N 2.157 122.744 120.500 0.146 0.000 2.134 323 R HA -0.208 4.133 4.340 0.001 0.000 0.248 323 R C 2.260 178.632 176.300 0.121 0.000 1.143 323 R CA 2.394 58.570 56.100 0.128 0.000 0.957 323 R CB -1.449 28.907 30.300 0.094 0.000 0.867 323 R HN 0.899 nan 8.270 nan 0.000 0.441 324 A N -0.809 122.084 122.820 0.122 0.000 1.877 324 A HA -0.154 4.167 4.320 0.001 0.000 0.216 324 A C 2.234 179.897 177.584 0.133 0.000 1.186 324 A CA 1.544 53.646 52.037 0.108 0.000 0.620 324 A CB -0.859 18.203 19.000 0.104 0.000 0.822 324 A HN 0.507 nan 8.150 nan 0.000 0.443 325 F N 0.361 120.347 119.950 0.060 0.000 2.163 325 F HA -0.036 4.492 4.527 0.001 0.000 0.297 325 F C 1.905 177.752 175.800 0.078 0.000 1.094 325 F CA 1.436 59.477 58.000 0.068 0.000 1.290 325 F CB -0.190 38.860 39.000 0.083 0.000 1.017 325 F HN 0.126 nan 8.300 nan 0.000 0.483 326 L N -0.034 121.311 121.223 0.204 0.000 2.046 326 L HA -0.247 4.094 4.340 0.001 0.000 0.208 326 L C 2.129 178.980 176.870 -0.031 0.000 1.077 326 L CA 1.470 56.383 54.840 0.122 0.000 0.747 326 L CB -0.909 41.289 42.059 0.231 0.000 0.896 326 L HN 0.063 nan 8.230 nan 0.000 0.432 327 D N -0.313 120.079 120.400 -0.015 0.000 2.182 327 D HA -0.177 4.464 4.640 0.001 0.000 0.201 327 D C 2.364 178.600 176.300 -0.107 0.000 0.986 327 D CA 1.761 55.731 54.000 -0.049 0.000 0.847 327 D CB -0.129 40.663 40.800 -0.014 0.000 0.942 327 D HN 0.373 nan 8.370 nan 0.000 0.467 328 S N -0.043 115.552 115.700 -0.174 0.000 2.515 328 S HA -0.042 4.429 4.470 0.001 0.000 0.231 328 S C 1.407 175.834 174.600 -0.289 0.000 0.987 328 S CA 0.263 58.326 58.200 -0.229 0.000 0.936 328 S CB 0.119 63.159 63.200 -0.268 0.000 0.766 328 S HN 0.071 nan 8.310 nan 0.000 0.528 329 R N 0.510 120.820 120.500 -0.317 0.000 2.546 329 R HA 0.347 4.688 4.340 0.001 0.000 0.320 329 R C 1.355 177.567 176.300 -0.147 0.000 1.021 329 R CA 0.383 56.343 56.100 -0.234 0.000 1.088 329 R CB -0.486 29.665 30.300 -0.248 0.000 1.278 329 R HN 0.539 nan 8.270 nan 0.000 0.557 330 G N 1.550 110.270 108.800 -0.135 0.000 2.153 330 G HA2 -0.268 3.693 3.960 0.001 0.000 0.252 330 G HA3 -0.268 3.693 3.960 0.001 0.000 0.252 330 G C 0.294 175.103 174.900 -0.152 0.000 0.994 330 G CA 0.048 45.077 45.100 -0.118 0.000 0.698 330 G HN 0.340 nan 8.290 nan 0.000 0.521 331 L N 1.911 123.034 121.223 -0.166 0.000 2.934 331 L HA 0.231 4.572 4.340 0.001 0.000 0.233 331 L C 2.287 179.028 176.870 -0.215 0.000 1.358 331 L CA 0.397 55.058 54.840 -0.298 0.000 1.233 331 L CB -0.205 41.712 42.059 -0.236 0.000 1.594 331 L HN 0.388 nan 8.230 nan 0.000 0.439 332 T N -4.370 110.096 114.554 -0.146 0.000 2.977 332 T HA -0.113 4.238 4.350 0.001 0.000 0.271 332 T C 1.425 176.106 174.700 -0.032 0.000 1.105 332 T CA 0.824 62.887 62.100 -0.062 0.000 1.116 332 T CB 0.034 68.872 68.868 -0.049 0.000 0.878 332 T HN 0.266 nan 8.240 nan 0.000 0.509 333 E N 0.178 120.324 120.200 -0.089 0.000 2.385 333 E HA 0.138 4.488 4.350 0.001 0.000 0.194 333 E C -0.261 176.495 176.600 0.259 0.000 1.013 333 E CA 0.100 56.526 56.400 0.044 0.000 0.866 333 E CB -0.166 29.548 29.700 0.023 0.000 0.832 333 E HN 0.598 nan 8.360 nan 0.000 0.500 334 Y N 1.891 122.310 120.300 0.198 0.000 2.411 334 Y HA 0.097 4.647 4.550 0.001 0.000 0.333 334 Y C 1.199 177.205 175.900 0.176 0.000 1.186 334 Y CA -1.254 56.996 58.100 0.249 0.000 1.381 334 Y CB 0.053 38.642 38.460 0.215 0.000 1.273 334 Y HN -0.067 nan 8.280 nan 0.000 0.546 335 E N 2.432 122.836 120.200 0.339 0.000 2.383 335 E HA 0.030 4.381 4.350 0.001 0.000 0.264 335 E C -0.463 176.287 176.600 0.250 0.000 1.050 335 E CA -0.593 55.937 56.400 0.217 0.000 0.896 335 E CB 0.584 30.376 29.700 0.154 0.000 0.982 335 E HN 0.730 nan 8.360 nan 0.000 0.424 336 E N 3.585 123.907 120.200 0.204 0.000 2.558 336 E HA -0.156 4.194 4.350 0.001 0.000 0.255 336 E C 0.016 176.745 176.600 0.215 0.000 0.968 336 E CA 0.358 56.873 56.400 0.191 0.000 0.939 336 E CB 0.205 29.990 29.700 0.141 0.000 0.921 336 E HN 0.641 nan 8.360 nan 0.000 0.477 337 M N 1.396 121.103 119.600 0.178 0.000 2.990 337 M HA -0.209 4.272 4.480 0.001 0.000 0.206 337 M C -0.466 175.942 176.300 0.181 0.000 0.594 337 M CA 0.729 56.090 55.300 0.102 0.000 0.787 337 M CB -2.082 30.454 32.600 -0.107 0.000 2.812 337 M HN 0.605 nan 8.290 nan 0.000 0.300 338 D N 1.799 122.344 120.400 0.242 0.000 2.352 338 D HA 0.441 5.082 4.640 0.001 0.000 0.245 338 D C 0.975 177.272 176.300 -0.005 0.000 1.224 338 D CA -0.021 54.068 54.000 0.148 0.000 0.879 338 D CB 0.436 41.345 40.800 0.182 0.000 1.057 338 D HN 0.449 nan 8.370 nan 0.000 0.491 339 L N 3.112 124.298 121.223 -0.062 0.000 2.558 339 L HA 0.243 4.583 4.340 0.001 0.000 0.225 339 L C 1.536 178.214 176.870 -0.319 0.000 1.128 339 L CA 0.320 55.109 54.840 -0.084 0.000 0.868 339 L CB -0.669 41.343 42.059 -0.078 0.000 1.006 339 L HN 0.669 nan 8.230 nan 0.000 0.454 340 G N 0.944 109.280 108.800 -0.775 0.000 2.725 340 G HA2 -0.197 3.764 3.960 0.001 0.000 0.220 340 G HA3 -0.197 3.764 3.960 0.001 0.000 0.220 340 G C -2.524 171.583 174.900 -1.322 0.000 1.357 340 G CA -0.525 43.808 45.100 -1.279 0.000 0.866 340 G HN 0.027 nan 8.290 nan 0.000 0.548 341 P HA 0.329 nan 4.420 nan 0.000 0.231 341 P C 0.766 177.783 177.300 -0.472 0.000 1.756 341 P CA 0.491 62.910 63.100 -1.135 0.000 0.990 341 P CB -0.457 30.675 31.700 -0.946 0.000 1.973 342 V N -1.864 117.816 119.914 -0.390 0.000 3.214 342 V HA 0.185 4.305 4.120 0.001 0.000 0.306 342 V C 1.296 177.277 176.094 -0.189 0.000 1.078 342 V CA -0.543 61.600 62.300 -0.261 0.000 1.077 342 V CB -0.520 31.206 31.823 -0.163 0.000 1.121 342 V HN 0.196 nan 8.190 nan 0.000 0.468 343 Y N 2.390 122.575 120.300 -0.191 0.000 1.384 343 Y HA -0.420 4.131 4.550 0.001 0.000 0.095 343 Y C 2.521 177.965 175.900 -0.759 0.000 0.643 343 Y CA 3.018 60.834 58.100 -0.474 0.000 0.404 343 Y CB -2.085 35.857 38.460 -0.864 0.000 0.530 343 Y HN 0.835 nan 8.280 nan 0.000 0.792 344 G N -1.333 106.988 108.800 -0.798 0.000 2.503 344 G HA2 -0.335 3.626 3.960 0.001 0.000 0.221 344 G HA3 -0.335 3.626 3.960 0.001 0.000 0.221 344 G C 1.462 176.226 174.900 -0.228 0.000 1.131 344 G CA 1.208 45.882 45.100 -0.710 0.000 0.756 344 G HN 0.493 nan 8.290 nan 0.000 0.572 345 F N 1.056 120.849 119.950 -0.261 0.000 2.161 345 F HA -0.104 4.423 4.527 0.001 0.000 0.300 345 F C 2.872 178.678 175.800 0.010 0.000 1.089 345 F CA 1.868 59.808 58.000 -0.100 0.000 1.282 345 F CB 0.136 39.009 39.000 -0.212 0.000 1.010 345 F HN 0.108 nan 8.300 nan 0.000 0.485 346 Q N -0.975 118.920 119.800 0.158 0.000 2.245 346 Q HA -0.157 4.183 4.340 0.001 0.000 0.201 346 Q C 2.010 178.262 176.000 0.420 0.000 0.955 346 Q CA 1.053 57.009 55.803 0.255 0.000 0.870 346 Q CB -0.758 28.157 28.738 0.295 0.000 0.945 346 Q HN 0.526 nan 8.270 nan 0.000 0.461 347 W N 1.154 122.499 121.300 0.075 0.000 2.402 347 W HA -0.057 4.604 4.660 0.002 0.000 0.286 347 W C 1.761 178.198 176.519 -0.137 0.000 1.221 347 W CA 0.611 57.948 57.345 -0.013 0.000 1.257 347 W CB -0.128 29.245 29.460 -0.145 0.000 1.120 347 W HN 0.126 nan 8.180 nan 0.000 0.551 348 R N -1.589 118.881 120.500 -0.050 0.000 2.373 348 R HA 0.110 4.451 4.340 0.001 0.000 0.221 348 R C 0.082 175.893 176.300 -0.815 0.000 0.893 348 R CA 0.543 56.390 56.100 -0.422 0.000 1.049 348 R CB -0.214 29.758 30.300 -0.546 0.000 1.119 348 R HN 0.273 nan 8.270 nan 0.000 0.535 349 H N -0.836 118.085 119.070 -0.248 0.000 3.074 349 H HA 0.113 4.670 4.556 0.001 0.000 0.227 349 H C -0.746 174.464 175.328 -0.197 0.000 1.365 349 H CA -0.900 54.926 56.048 -0.370 0.000 1.078 349 H CB -0.426 28.745 29.762 -0.986 0.000 2.347 349 H HN -0.064 nan 8.280 nan 0.000 0.567 350 F N 2.443 122.375 119.950 -0.029 0.000 2.580 350 F HA 0.226 4.754 4.527 0.002 0.000 0.398 350 F C 1.476 177.325 175.800 0.082 0.000 1.023 350 F CA 2.016 60.054 58.000 0.063 0.000 1.188 350 F CB 0.377 39.431 39.000 0.091 0.000 1.005 350 F HN 0.590 nan 8.300 nan 0.000 0.546 351 G N 3.728 112.277 108.800 -0.418 0.000 2.159 351 G HA2 -0.142 3.819 3.960 0.001 0.000 0.256 351 G HA3 -0.142 3.819 3.960 0.001 0.000 0.256 351 G C 0.224 175.140 174.900 0.027 0.000 0.977 351 G CA -0.013 44.950 45.100 -0.228 0.000 0.652 351 G HN 1.373 nan 8.290 nan 0.000 0.531 352 A N 0.088 122.974 122.820 0.111 0.000 2.425 352 A HA 0.782 5.103 4.320 0.001 0.000 0.249 352 A C 1.020 178.750 177.584 0.243 0.000 1.084 352 A CA 0.872 53.025 52.037 0.193 0.000 0.781 352 A CB 0.492 19.608 19.000 0.193 0.000 1.019 352 A HN 2.095 nan 8.150 nan 0.000 0.490 353 A N 1.816 124.753 122.820 0.193 0.000 2.491 353 A HA 0.435 4.756 4.320 0.001 0.000 0.261 353 A C -0.255 177.463 177.584 0.222 0.000 1.101 353 A CA 0.047 52.177 52.037 0.155 0.000 0.772 353 A CB -0.420 18.639 19.000 0.097 0.000 1.043 353 A HN 0.833 nan 8.150 nan 0.000 0.501 354 Y N 2.543 122.822 120.300 -0.036 0.000 2.301 354 Y HA 0.395 4.945 4.550 0.001 0.000 0.325 354 Y C 1.509 177.374 175.900 -0.058 0.000 1.203 354 Y CA 1.070 59.074 58.100 -0.160 0.000 1.255 354 Y CB 1.461 39.644 38.460 -0.462 0.000 1.232 354 Y HN 0.846 nan 8.280 nan 0.000 0.501 355 T N -0.221 114.033 114.554 -0.500 0.000 3.425 355 T HA 0.325 4.676 4.350 0.001 0.000 0.225 355 T C -0.367 173.814 174.700 -0.865 0.000 0.992 355 T CA -0.099 61.719 62.100 -0.471 0.000 1.174 355 T CB 0.246 68.928 68.868 -0.311 0.000 1.240 355 T HN 0.555 nan 8.240 nan 0.000 0.350 356 H N 0.183 118.965 119.070 -0.481 0.000 2.977 356 H HA 0.400 4.957 4.556 0.001 0.000 0.350 356 H C 0.919 175.998 175.328 -0.415 0.000 1.238 356 H CA 0.036 55.872 56.048 -0.353 0.000 1.124 356 H CB 1.470 31.123 29.762 -0.181 0.000 1.866 356 H HN 0.627 nan 8.280 nan 0.000 0.550 357 H N -0.106 118.938 119.070 -0.042 0.000 2.387 357 H HA -0.116 4.441 4.556 0.001 0.000 0.299 357 H C 0.464 175.766 175.328 -0.043 0.000 1.099 357 H CA 2.091 58.137 56.048 -0.003 0.000 1.315 357 H CB 0.051 29.788 29.762 -0.041 0.000 1.380 357 H HN 0.469 nan 8.280 nan 0.000 0.513 358 D N 1.567 121.431 120.400 -0.894 0.000 2.149 358 D HA -0.101 4.539 4.640 0.001 0.000 0.194 358 D C 1.249 177.351 176.300 -0.330 0.000 1.001 358 D CA 1.588 55.229 54.000 -0.598 0.000 0.849 358 D CB -0.487 39.991 40.800 -0.536 0.000 0.939 358 D HN 0.707 nan 8.370 nan 0.000 0.449 359 A N 0.443 123.055 122.820 -0.346 0.000 2.536 359 A HA -0.050 4.271 4.320 0.001 0.000 0.234 359 A C 0.478 177.697 177.584 -0.607 0.000 1.076 359 A CA 0.004 51.731 52.037 -0.515 0.000 0.769 359 A CB -0.003 18.552 19.000 -0.741 0.000 1.020 359 A HN 0.282 nan 8.150 nan 0.000 0.508 360 N N 0.850 119.188 118.700 -0.603 0.000 2.462 360 N HA 0.277 5.018 4.740 0.001 0.000 0.242 360 N C -0.970 174.178 175.510 -0.604 0.000 1.010 360 N CA -0.176 52.596 53.050 -0.462 0.000 0.939 360 N CB 0.268 38.577 38.487 -0.297 0.000 1.127 360 N HN 0.611 nan 8.380 nan 0.000 0.509 361 Y N 0.985 121.116 120.300 -0.282 0.000 2.524 361 Y HA 0.179 4.730 4.550 0.001 0.000 0.266 361 Y C 0.022 175.653 175.900 -0.447 0.000 1.180 361 Y CA -0.636 57.216 58.100 -0.413 0.000 1.244 361 Y CB 0.060 38.140 38.460 -0.633 0.000 1.125 361 Y HN 0.432 nan 8.280 nan 0.000 0.524 362 D N 1.102 121.302 120.400 -0.334 0.000 2.570 362 D HA 0.081 4.722 4.640 0.001 0.000 0.243 362 D C 1.364 177.282 176.300 -0.636 0.000 1.171 362 D CA 1.738 55.338 54.000 -0.666 0.000 0.879 362 D CB 0.574 40.821 40.800 -0.922 0.000 1.143 362 D HN 0.626 nan 8.370 nan 0.000 0.511 363 G N 2.712 111.235 108.800 -0.462 0.000 2.153 363 G HA2 -0.279 3.681 3.960 0.001 0.000 0.252 363 G HA3 -0.279 3.681 3.960 0.001 0.000 0.252 363 G C 0.220 175.163 174.900 0.072 0.000 0.994 363 G CA -0.026 45.067 45.100 -0.011 0.000 0.698 363 G HN 0.528 nan 8.290 nan 0.000 0.521 364 Q N -0.115 119.740 119.800 0.091 0.000 2.230 364 Q HA 0.561 4.901 4.340 0.001 0.000 0.253 364 Q C 0.858 176.966 176.000 0.180 0.000 0.919 364 Q CA 0.302 56.174 55.803 0.116 0.000 0.908 364 Q CB 1.699 30.493 28.738 0.093 0.000 1.245 364 Q HN 1.555 nan 8.270 nan 0.000 0.437 365 G N 0.568 109.452 108.800 0.139 0.000 2.698 365 G HA2 -0.236 3.724 3.960 0.001 0.000 0.233 365 G HA3 -0.236 3.724 3.960 0.001 0.000 0.233 365 G C -0.709 174.275 174.900 0.140 0.000 1.352 365 G CA -0.549 44.637 45.100 0.144 0.000 0.879 365 G HN 0.465 nan 8.290 nan 0.000 0.567 366 V N 1.055 121.074 119.914 0.175 0.000 2.383 366 V HA 0.401 4.522 4.120 0.001 0.000 0.275 366 V C 0.224 176.355 176.094 0.063 0.000 1.036 366 V CA -0.029 62.347 62.300 0.126 0.000 0.889 366 V CB 1.610 33.511 31.823 0.130 0.000 0.985 366 V HN 0.733 nan 8.190 nan 0.000 0.459 367 D N 4.102 124.507 120.400 0.008 0.000 2.508 367 D HA 0.120 4.761 4.640 0.001 0.000 0.224 367 D C 1.195 177.486 176.300 -0.015 0.000 1.171 367 D CA 0.223 54.190 54.000 -0.055 0.000 1.006 367 D CB 0.849 41.616 40.800 -0.054 0.000 1.073 367 D HN 0.610 nan 8.370 nan 0.000 0.513 368 Q N 2.213 122.020 119.800 0.011 0.000 2.084 368 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 368 Q C 1.845 177.834 176.000 -0.019 0.000 0.978 368 Q CA 0.895 56.716 55.803 0.030 0.000 0.844 368 Q CB 0.361 29.162 28.738 0.105 0.000 0.898 368 Q HN 0.575 nan 8.270 nan 0.000 0.426 369 I N 1.016 121.525 120.570 -0.101 0.000 2.179 369 I HA -0.269 3.901 4.170 0.001 0.000 0.242 369 I C 2.304 178.366 176.117 -0.093 0.000 1.088 369 I CA 1.482 62.683 61.300 -0.165 0.000 1.357 369 I CB -0.904 36.976 38.000 -0.199 0.000 1.051 369 I HN 0.235 nan 8.210 nan 0.000 0.409 370 K N 1.079 121.446 120.400 -0.055 0.000 2.063 370 K HA -0.170 4.150 4.320 0.001 0.000 0.208 370 K C 2.225 178.808 176.600 -0.028 0.000 1.048 370 K CA 1.610 57.879 56.287 -0.030 0.000 0.928 370 K CB -0.025 32.472 32.500 -0.005 0.000 0.713 370 K HN 0.260 nan 8.250 nan 0.000 0.442 371 A N 1.271 124.081 122.820 -0.017 0.000 1.877 371 A HA -0.160 4.161 4.320 0.001 0.000 0.216 371 A C 2.086 179.660 177.584 -0.017 0.000 1.186 371 A CA 1.624 53.657 52.037 -0.008 0.000 0.620 371 A CB -0.610 18.394 19.000 0.007 0.000 0.822 371 A HN 0.343 nan 8.150 nan 0.000 0.443 372 I N -0.479 120.079 120.570 -0.021 0.000 2.179 372 I HA -0.229 3.942 4.170 0.001 0.000 0.242 372 I C 2.382 178.435 176.117 -0.106 0.000 1.088 372 I CA 1.236 62.513 61.300 -0.040 0.000 1.357 372 I CB -0.493 37.496 38.000 -0.017 0.000 1.051 372 I HN 0.156 nan 8.210 nan 0.000 0.409 373 V N 0.804 120.642 119.914 -0.126 0.000 2.282 373 V HA -0.324 3.797 4.120 0.001 0.000 0.249 373 V C 2.565 178.612 176.094 -0.079 0.000 1.057 373 V CA 2.323 64.550 62.300 -0.122 0.000 1.032 373 V CB -0.648 31.119 31.823 -0.094 0.000 0.645 373 V HN 0.426 nan 8.190 nan 0.000 0.447 374 E N 0.177 120.346 120.200 -0.052 0.000 2.106 374 E HA -0.149 4.202 4.350 0.001 0.000 0.192 374 E C 2.209 178.788 176.600 -0.035 0.000 0.984 374 E CA 1.859 58.238 56.400 -0.036 0.000 0.806 374 E CB -0.494 29.192 29.700 -0.022 0.000 0.750 374 E HN 0.662 nan 8.360 nan 0.000 0.458 375 T N 0.928 115.462 114.554 -0.034 0.000 2.701 375 T HA -0.103 4.247 4.350 0.001 0.000 0.263 375 T C 1.931 176.609 174.700 -0.037 0.000 1.040 375 T CA 1.272 63.357 62.100 -0.026 0.000 1.147 375 T CB -0.396 68.465 68.868 -0.012 0.000 0.865 375 T HN 0.123 nan 8.240 nan 0.000 0.426 376 L N 0.577 121.767 121.223 -0.055 0.000 2.137 376 L HA -0.189 4.152 4.340 0.001 0.000 0.213 376 L C 2.599 179.434 176.870 -0.057 0.000 1.085 376 L CA 1.456 56.257 54.840 -0.065 0.000 0.760 376 L CB -0.470 41.523 42.059 -0.110 0.000 0.893 376 L HN 0.263 nan 8.230 nan 0.000 0.434 377 K N -1.150 119.218 120.400 -0.054 0.000 2.228 377 K HA -0.068 4.253 4.320 0.001 0.000 0.202 377 K C 2.023 178.601 176.600 -0.036 0.000 1.051 377 K CA 1.647 57.907 56.287 -0.045 0.000 0.960 377 K CB 0.031 32.505 32.500 -0.043 0.000 0.743 377 K HN 0.506 nan 8.250 nan 0.000 0.458 378 T N -1.772 112.762 114.554 -0.033 0.000 3.056 378 T HA 0.074 4.425 4.350 0.001 0.000 0.241 378 T C 0.613 175.298 174.700 -0.026 0.000 1.006 378 T CA -0.195 61.889 62.100 -0.026 0.000 1.115 378 T CB 0.127 68.982 68.868 -0.022 0.000 0.939 378 T HN -0.085 nan 8.240 nan 0.000 0.462 379 N N 2.418 121.102 118.700 -0.027 0.000 2.664 379 N HA 0.306 5.046 4.740 0.001 0.000 0.257 379 N C -2.680 172.807 175.510 -0.037 0.000 1.108 379 N CA -1.266 51.766 53.050 -0.029 0.000 0.822 379 N CB 1.971 40.446 38.487 -0.021 0.000 1.199 379 N HN 0.186 nan 8.380 nan 0.000 0.529 380 P HA -0.046 nan 4.420 nan 0.000 0.225 380 P C 0.577 177.821 177.300 -0.093 0.000 1.148 380 P CA 0.985 64.044 63.100 -0.068 0.000 0.779 380 P CB 0.490 32.144 31.700 -0.076 0.000 0.780 381 D N -0.958 119.396 120.400 -0.077 0.000 2.347 381 D HA -0.039 4.601 4.640 0.001 0.000 0.213 381 D C 0.367 176.639 176.300 -0.046 0.000 0.985 381 D CA 0.469 54.421 54.000 -0.081 0.000 0.879 381 D CB -0.733 40.033 40.800 -0.056 0.000 0.919 381 D HN 0.214 nan 8.370 nan 0.000 0.526 382 D N 0.059 120.443 120.400 -0.026 0.000 2.548 382 D HA -0.067 4.574 4.640 0.001 0.000 0.231 382 D C 0.766 177.078 176.300 0.020 0.000 1.142 382 D CA 0.478 54.477 54.000 -0.001 0.000 0.866 382 D CB 0.609 41.413 40.800 0.005 0.000 1.190 382 D HN -0.057 nan 8.370 nan 0.000 0.469 383 R N 2.601 123.119 120.500 0.030 0.000 2.577 383 R HA 0.219 4.559 4.340 0.001 0.000 0.344 383 R C 0.567 176.892 176.300 0.042 0.000 1.037 383 R CA -0.099 56.030 56.100 0.049 0.000 1.102 383 R CB 0.607 30.933 30.300 0.044 0.000 1.313 383 R HN 0.322 nan 8.270 nan 0.000 0.561 384 R N 0.234 120.758 120.500 0.039 0.000 2.508 384 R HA 0.307 4.647 4.340 0.001 0.000 0.300 384 R C 0.200 176.531 176.300 0.052 0.000 0.970 384 R CA -0.132 55.986 56.100 0.031 0.000 1.102 384 R CB 0.551 30.861 30.300 0.017 0.000 1.246 384 R HN 0.011 nan 8.270 nan 0.000 0.539 385 M N 2.888 122.541 119.600 0.088 0.000 3.436 385 M HA 0.208 4.688 4.480 0.001 0.000 0.240 385 M C -0.746 175.679 176.300 0.208 0.000 1.469 385 M CA 0.404 55.795 55.300 0.152 0.000 1.622 385 M CB -0.325 32.383 32.600 0.180 0.000 1.098 385 M HN 0.055 nan 8.290 nan 0.000 0.568 386 L N -0.386 120.914 121.223 0.128 0.000 2.422 386 L HA 0.871 5.211 4.340 0.001 0.000 0.264 386 L C -0.847 176.078 176.870 0.092 0.000 0.984 386 L CA -1.205 53.671 54.840 0.060 0.000 0.819 386 L CB 1.407 43.420 42.059 -0.076 0.000 1.330 386 L HN 0.289 nan 8.230 nan 0.000 0.410 387 F N -0.809 119.139 119.950 -0.003 0.000 2.492 387 F HA 0.919 5.446 4.527 0.001 0.000 0.327 387 F C -0.113 175.671 175.800 -0.027 0.000 1.079 387 F CA -0.613 57.361 58.000 -0.043 0.000 0.967 387 F CB 1.916 40.857 39.000 -0.099 0.000 1.169 387 F HN 0.634 nan 8.300 nan 0.000 0.472 388 T N 0.778 115.444 114.554 0.187 0.000 2.916 388 T HA 0.697 5.048 4.350 0.001 0.000 0.292 388 T C -0.011 174.999 174.700 0.516 0.000 1.055 388 T CA -0.101 62.135 62.100 0.227 0.000 1.009 388 T CB 1.621 70.592 68.868 0.171 0.000 1.118 388 T HN 1.037 nan 8.240 nan 0.000 0.497 389 A N 2.234 125.372 122.820 0.529 0.000 2.508 389 A HA 0.279 4.600 4.320 0.001 0.000 0.250 389 A C 0.452 178.255 177.584 0.366 0.000 1.208 389 A CA -0.522 51.821 52.037 0.510 0.000 0.960 389 A CB 0.144 19.453 19.000 0.514 0.000 1.099 389 A HN 0.801 nan 8.150 nan 0.000 0.542 390 W N 2.521 123.954 121.300 0.222 0.000 2.290 390 W HA 0.294 4.954 4.660 0.001 0.000 0.408 390 W C -0.704 175.947 176.519 0.220 0.000 0.966 390 W CA -0.308 57.131 57.345 0.157 0.000 1.579 390 W CB 0.226 29.758 29.460 0.120 0.000 1.662 390 W HN 0.291 nan 8.180 nan 0.000 0.341 391 N N 6.829 125.466 118.700 -0.105 0.000 2.706 391 N HA 0.222 4.963 4.740 0.001 0.000 0.240 391 N C -1.862 173.464 175.510 -0.307 0.000 1.039 391 N CA -2.210 50.773 53.050 -0.112 0.000 0.888 391 N CB 1.424 39.689 38.487 -0.369 0.000 1.128 391 N HN 0.034 nan 8.380 nan 0.000 0.512 392 P HA -0.120 nan 4.420 nan 0.000 0.217 392 P C 0.969 178.168 177.300 -0.167 0.000 1.148 392 P CA 1.240 64.193 63.100 -0.245 0.000 0.834 392 P CB 0.420 32.088 31.700 -0.053 0.000 0.783 393 S N -0.871 114.756 115.700 -0.120 0.000 2.383 393 S HA -0.074 4.397 4.470 0.001 0.000 0.227 393 S C 1.974 176.491 174.600 -0.139 0.000 1.026 393 S CA 1.358 59.498 58.200 -0.100 0.000 0.981 393 S CB -0.737 62.422 63.200 -0.068 0.000 0.818 393 S HN 0.188 nan 8.310 nan 0.000 0.472 394 A N 0.565 123.265 122.820 -0.200 0.000 2.095 394 A HA 0.268 4.589 4.320 0.001 0.000 0.212 394 A C 1.826 179.276 177.584 -0.222 0.000 1.162 394 A CA 0.197 52.108 52.037 -0.209 0.000 0.753 394 A CB -0.352 18.498 19.000 -0.251 0.000 0.840 394 A HN 0.318 nan 8.150 nan 0.000 0.468 395 L N 0.397 121.456 121.223 -0.274 0.000 1.997 395 L HA -0.155 4.186 4.340 0.001 0.000 0.216 395 L C -0.642 176.121 176.870 -0.178 0.000 1.074 395 L CA 2.569 57.235 54.840 -0.290 0.000 0.763 395 L CB -1.421 40.394 42.059 -0.406 0.000 0.890 395 L HN 0.221 nan 8.230 nan 0.000 0.434 396 P HA -0.103 nan 4.420 nan 0.000 0.225 396 P C 1.223 178.475 177.300 -0.078 0.000 1.148 396 P CA 1.055 64.099 63.100 -0.093 0.000 0.779 396 P CB 0.004 31.655 31.700 -0.081 0.000 0.780 397 R N -1.685 118.763 120.500 -0.087 0.000 2.300 397 R HA 0.249 4.589 4.340 0.001 0.000 0.199 397 R C 0.900 177.202 176.300 0.002 0.000 0.920 397 R CA 0.240 56.315 56.100 -0.042 0.000 1.046 397 R CB -0.216 30.050 30.300 -0.056 0.000 0.984 397 R HN 0.350 nan 8.270 nan 0.000 0.493 398 M N -0.755 118.807 119.600 -0.063 0.000 2.288 398 M HA 0.215 4.695 4.480 0.001 0.000 0.334 398 M C 1.372 177.723 176.300 0.086 0.000 1.150 398 M CA -0.189 55.077 55.300 -0.056 0.000 1.118 398 M CB 1.425 33.952 32.600 -0.122 0.000 1.501 398 M HN -0.063 nan 8.290 nan 0.000 0.462 399 A N 2.086 125.007 122.820 0.168 0.000 2.014 399 A HA 0.175 4.495 4.320 0.001 0.000 0.218 399 A C 0.425 178.256 177.584 0.412 0.000 1.163 399 A CA 1.230 53.475 52.037 0.348 0.000 0.652 399 A CB 0.095 19.352 19.000 0.428 0.000 0.808 399 A HN 0.615 nan 8.150 nan 0.000 0.449 400 L N -0.349 121.055 121.223 0.302 0.000 2.565 400 L HA 0.430 4.770 4.340 0.001 0.000 0.261 400 L C -2.701 174.255 176.870 0.143 0.000 0.932 400 L CA -1.739 53.274 54.840 0.289 0.000 0.878 400 L CB 2.402 44.696 42.059 0.392 0.000 1.333 400 L HN -0.074 nan 8.230 nan 0.000 0.409 401 P HA 0.301 nan 4.420 nan 0.000 0.272 401 P C -2.722 174.625 177.300 0.078 0.000 1.230 401 P CA -1.215 61.896 63.100 0.018 0.000 0.788 401 P CB -0.312 31.429 31.700 0.068 0.000 0.949 402 P HA 0.115 nan 4.420 nan 0.000 0.269 402 P C 0.314 177.795 177.300 0.301 0.000 1.209 402 P CA -0.065 62.983 63.100 -0.086 0.000 0.776 402 P CB 0.333 31.976 31.700 -0.095 0.000 0.876 403 C N -0.058 119.463 119.300 0.368 0.000 2.587 403 C HA 0.048 4.508 4.460 0.001 0.000 0.287 403 C C 0.971 176.164 174.990 0.339 0.000 1.374 403 C CA 0.340 59.570 59.018 0.353 0.000 1.770 403 C CB -1.677 26.305 27.740 0.404 0.000 2.137 403 C HN 0.691 nan 8.230 nan 0.000 0.550 404 H N 1.786 121.116 119.070 0.434 0.000 2.934 404 H HA 0.451 5.008 4.556 0.001 0.000 0.273 404 H C 0.268 175.878 175.328 0.469 0.000 1.121 404 H CA -0.378 55.863 56.048 0.322 0.000 1.451 404 H CB 0.067 30.020 29.762 0.318 0.000 1.469 404 H HN 0.397 nan 8.280 nan 0.000 0.476 405 L N 1.204 122.623 121.223 0.326 0.000 2.878 405 L HA 0.461 4.801 4.340 0.001 0.000 0.253 405 L C -0.487 176.510 176.870 0.211 0.000 1.135 405 L CA -0.233 54.809 54.840 0.337 0.000 0.943 405 L CB 0.409 42.682 42.059 0.356 0.000 1.307 405 L HN 0.502 nan 8.230 nan 0.000 0.545 406 L N 0.918 122.172 121.223 0.052 0.000 2.513 406 L HA 0.933 5.274 4.340 0.001 0.000 0.261 406 L C -1.529 175.124 176.870 -0.362 0.000 0.945 406 L CA -0.354 54.389 54.840 -0.162 0.000 0.848 406 L CB 2.093 44.089 42.059 -0.105 0.000 1.334 406 L HN 0.102 nan 8.230 nan 0.000 0.407 407 A N 4.121 126.533 122.820 -0.681 0.000 2.427 407 A HA 0.699 5.019 4.320 0.001 0.000 0.298 407 A C -1.474 175.715 177.584 -0.659 0.000 1.036 407 A CA -0.470 51.127 52.037 -0.734 0.000 0.701 407 A CB 1.702 20.168 19.000 -0.891 0.000 1.250 407 A HN 0.676 nan 8.150 nan 0.000 0.412 408 Q N 1.359 120.858 119.800 -0.500 0.000 2.274 408 Q HA 0.737 5.077 4.340 0.001 0.000 0.260 408 Q C -1.715 174.026 176.000 -0.432 0.000 0.974 408 Q CA -0.473 55.136 55.803 -0.324 0.000 0.876 408 Q CB 1.163 29.806 28.738 -0.158 0.000 1.297 408 Q HN 0.615 nan 8.270 nan 0.000 0.446 409 F N 2.090 122.073 119.950 0.055 0.000 2.507 409 F HA 0.554 5.082 4.527 0.001 0.000 0.327 409 F C -0.752 175.144 175.800 0.161 0.000 1.068 409 F CA -0.574 57.487 58.000 0.102 0.000 0.965 409 F CB 1.437 40.490 39.000 0.088 0.000 1.192 409 F HN 0.510 nan 8.300 nan 0.000 0.476 410 Y N 0.681 121.109 120.300 0.213 0.000 2.521 410 Y HA 0.685 5.236 4.550 0.001 0.000 0.332 410 Y C -2.086 173.875 175.900 0.102 0.000 1.121 410 Y CA -1.088 57.078 58.100 0.111 0.000 1.037 410 Y CB 1.619 40.113 38.460 0.057 0.000 1.330 410 Y HN 0.356 nan 8.280 nan 0.000 0.452 411 V N 4.857 124.521 119.914 -0.417 0.000 2.577 411 V HA 0.718 4.839 4.120 0.001 0.000 0.303 411 V C -1.258 174.614 176.094 -0.369 0.000 1.042 411 V CA -0.447 61.711 62.300 -0.236 0.000 0.872 411 V CB 1.751 33.491 31.823 -0.137 0.000 0.998 411 V HN 0.813 nan 8.190 nan 0.000 0.423 412 S N 3.158 118.794 115.700 -0.107 0.000 2.572 412 S HA 0.549 5.019 4.470 0.001 0.000 0.274 412 S C -0.398 174.210 174.600 0.013 0.000 1.150 412 S CA -0.920 57.251 58.200 -0.047 0.000 0.944 412 S CB 1.530 64.770 63.200 0.066 0.000 1.071 412 S HN 0.774 nan 8.310 nan 0.000 0.479 413 N N 1.392 120.091 118.700 -0.003 0.000 2.714 413 N HA -0.189 4.552 4.740 0.001 0.000 0.253 413 N C 1.009 176.525 175.510 0.009 0.000 1.024 413 N CA 1.313 54.367 53.050 0.008 0.000 0.726 413 N CB -1.693 36.807 38.487 0.022 0.000 0.908 413 N HN 1.989 nan 8.380 nan 0.000 0.542 414 G N -0.948 107.850 108.800 -0.005 0.000 2.180 414 G HA2 -0.350 3.611 3.960 0.001 0.000 0.263 414 G HA3 -0.350 3.611 3.960 0.001 0.000 0.263 414 G C -0.148 174.760 174.900 0.012 0.000 0.989 414 G CA 0.965 46.064 45.100 -0.002 0.000 0.692 414 G HN 0.651 nan 8.290 nan 0.000 0.526 415 E N -0.775 119.441 120.200 0.028 0.000 2.179 415 E HA 0.566 4.917 4.350 0.001 0.000 0.275 415 E C -0.569 176.079 176.600 0.079 0.000 0.945 415 E CA -1.046 55.387 56.400 0.056 0.000 0.792 415 E CB 1.969 31.713 29.700 0.073 0.000 1.125 415 E HN 0.128 nan 8.360 nan 0.000 0.397 416 L N 2.428 123.708 121.223 0.095 0.000 2.262 416 L HA 0.295 4.635 4.340 0.001 0.000 0.288 416 L C -0.720 176.276 176.870 0.209 0.000 1.035 416 L CA 0.113 55.040 54.840 0.145 0.000 0.820 416 L CB 1.051 43.178 42.059 0.112 0.000 1.204 416 L HN 0.313 nan 8.230 nan 0.000 0.424 417 S N 3.561 119.419 115.700 0.265 0.000 2.651 417 S HA 0.666 5.137 4.470 0.001 0.000 0.291 417 S C -1.028 173.706 174.600 0.223 0.000 1.141 417 S CA -0.546 57.791 58.200 0.230 0.000 1.027 417 S CB 1.380 64.707 63.200 0.212 0.000 1.043 417 S HN 0.815 nan 8.310 nan 0.000 0.530 418 C N 4.419 123.767 119.300 0.080 0.000 2.535 418 C HA 0.635 5.096 4.460 0.001 0.000 0.319 418 C C -0.815 174.073 174.990 -0.170 0.000 1.171 418 C CA -0.797 58.136 59.018 -0.143 0.000 1.394 418 C CB 0.618 28.254 27.740 -0.173 0.000 1.990 418 C HN 0.832 nan 8.230 nan 0.000 0.466 419 M N 4.879 124.320 119.600 -0.266 0.000 2.264 419 M HA 0.519 4.999 4.480 0.001 0.000 0.352 419 M C -0.923 175.178 176.300 -0.332 0.000 1.173 419 M CA -0.451 54.712 55.300 -0.229 0.000 1.075 419 M CB 1.558 34.048 32.600 -0.184 0.000 1.621 419 M HN 0.757 nan 8.290 nan 0.000 0.457 420 L N 5.500 126.516 121.223 -0.345 0.000 2.333 420 L HA 0.436 4.776 4.340 0.001 0.000 0.280 420 L C -1.836 174.854 176.870 -0.301 0.000 1.004 420 L CA -0.380 54.148 54.840 -0.519 0.000 0.820 420 L CB 1.392 42.892 42.059 -0.932 0.000 1.247 420 L HN 0.565 nan 8.230 nan 0.000 0.416 421 Y N 4.213 124.331 120.300 -0.303 0.000 2.335 421 Y HA 0.518 5.069 4.550 0.002 0.000 0.339 421 Y C -0.428 175.414 175.900 -0.096 0.000 0.987 421 Y CA 0.024 58.024 58.100 -0.167 0.000 1.140 421 Y CB 1.007 39.377 38.460 -0.151 0.000 1.173 421 Y HN 0.727 nan 8.280 nan 0.000 0.486 422 Q N 6.590 126.092 119.800 -0.497 0.000 2.325 422 Q HA 0.277 4.618 4.340 0.001 0.000 0.270 422 Q C 0.490 176.293 176.000 -0.328 0.000 1.020 422 Q CA -0.770 54.922 55.803 -0.184 0.000 0.785 422 Q CB 1.171 29.935 28.738 0.044 0.000 1.259 422 Q HN 0.984 nan 8.270 nan 0.000 0.452 423 R N 1.206 121.667 120.500 -0.065 0.000 2.153 423 R HA 0.112 4.453 4.340 0.001 0.000 0.218 423 R C 0.357 176.705 176.300 0.080 0.000 1.072 423 R CA 0.650 56.764 56.100 0.022 0.000 0.990 423 R CB 0.323 30.673 30.300 0.084 0.000 0.889 423 R HN 0.272 nan 8.270 nan 0.000 0.452 424 S N 0.009 115.785 115.700 0.126 0.000 2.720 424 S HA 0.436 4.907 4.470 0.001 0.000 0.278 424 S C -1.447 173.262 174.600 0.181 0.000 1.172 424 S CA -0.897 57.433 58.200 0.217 0.000 1.019 424 S CB 1.454 64.817 63.200 0.271 0.000 1.049 424 S HN 0.336 nan 8.310 nan 0.000 0.483 425 C N 4.041 123.349 119.300 0.012 0.000 2.356 425 C HA 0.482 4.942 4.460 0.001 0.000 0.324 425 C C -0.172 174.462 174.990 -0.593 0.000 1.167 425 C CA -1.086 57.852 59.018 -0.134 0.000 1.420 425 C CB -0.240 27.439 27.740 -0.100 0.000 2.036 425 C HN 0.944 nan 8.230 nan 0.000 0.435 426 D N 3.247 123.432 120.400 -0.358 0.000 2.346 426 D HA 0.155 4.795 4.640 0.001 0.000 0.260 426 D C 1.217 177.486 176.300 -0.051 0.000 1.252 426 D CA -0.097 53.749 54.000 -0.256 0.000 0.895 426 D CB 0.682 41.629 40.800 0.245 0.000 1.097 426 D HN 0.378 nan 8.370 nan 0.000 0.489 427 M N 3.137 122.695 119.600 -0.070 0.000 2.319 427 M HA 0.059 4.540 4.480 0.001 0.000 0.265 427 M C 1.945 178.388 176.300 0.238 0.000 1.068 427 M CA 0.839 56.181 55.300 0.070 0.000 1.118 427 M CB -0.916 31.647 32.600 -0.062 0.000 1.395 427 M HN 0.594 nan 8.290 nan 0.000 0.435 428 G N -0.229 108.707 108.800 0.226 0.000 2.394 428 G HA2 -0.025 3.936 3.960 0.001 0.000 0.214 428 G HA3 -0.025 3.936 3.960 0.001 0.000 0.214 428 G C 1.579 176.591 174.900 0.186 0.000 1.176 428 G CA 0.430 45.661 45.100 0.219 0.000 0.786 428 G HN 0.407 nan 8.290 nan 0.000 0.533 429 L N -0.730 120.608 121.223 0.192 0.000 2.586 429 L HA 0.321 4.662 4.340 0.001 0.000 0.204 429 L C 2.968 179.939 176.870 0.168 0.000 1.053 429 L CA 0.693 55.629 54.840 0.160 0.000 0.856 429 L CB -0.274 41.854 42.059 0.114 0.000 1.192 429 L HN 0.229 nan 8.230 nan 0.000 0.484 430 G N 0.134 109.021 108.800 0.146 0.000 2.459 430 G HA2 -0.196 3.764 3.960 0.001 0.000 0.217 430 G HA3 -0.196 3.764 3.960 0.001 0.000 0.217 430 G C 1.510 176.535 174.900 0.207 0.000 1.183 430 G CA 1.230 46.413 45.100 0.139 0.000 0.776 430 G HN 0.103 nan 8.290 nan 0.000 0.552 431 V N 2.140 122.164 119.914 0.183 0.000 2.261 431 V HA -0.111 4.010 4.120 0.001 0.000 0.246 431 V C 0.352 176.525 176.094 0.132 0.000 1.047 431 V CA 2.295 64.699 62.300 0.173 0.000 1.015 431 V CB -1.147 30.773 31.823 0.160 0.000 0.642 431 V HN 0.295 nan 8.190 nan 0.000 0.446 432 P HA -0.172 nan 4.420 nan 0.000 0.216 432 P C 1.673 179.000 177.300 0.044 0.000 1.150 432 P CA 1.471 64.541 63.100 -0.050 0.000 0.837 432 P CB -0.105 31.562 31.700 -0.054 0.000 0.786 433 F N 0.479 120.435 119.950 0.010 0.000 2.113 433 F HA -0.150 4.378 4.527 0.001 0.000 0.297 433 F C 1.850 177.662 175.800 0.020 0.000 1.103 433 F CA 1.540 59.550 58.000 0.017 0.000 1.248 433 F CB -0.587 38.435 39.000 0.037 0.000 0.999 433 F HN -0.156 nan 8.300 nan 0.000 0.475 434 N N 0.450 119.344 118.700 0.323 0.000 2.331 434 N HA -0.095 4.646 4.740 0.001 0.000 0.180 434 N C 1.957 177.575 175.510 0.180 0.000 1.019 434 N CA 1.193 54.394 53.050 0.251 0.000 0.881 434 N CB -0.349 38.288 38.487 0.249 0.000 0.972 434 N HN 0.336 nan 8.380 nan 0.000 0.435 435 I N 0.740 121.364 120.570 0.090 0.000 2.179 435 I HA -0.234 3.937 4.170 0.001 0.000 0.242 435 I C 2.249 178.286 176.117 -0.132 0.000 1.088 435 I CA 1.057 62.299 61.300 -0.096 0.000 1.357 435 I CB -0.287 37.480 38.000 -0.388 0.000 1.051 435 I HN 0.061 nan 8.210 nan 0.000 0.409 436 A N -0.133 122.609 122.820 -0.130 0.000 1.902 436 A HA -0.215 4.106 4.320 0.001 0.000 0.217 436 A C 2.482 180.060 177.584 -0.010 0.000 1.181 436 A CA 2.225 54.213 52.037 -0.082 0.000 0.623 436 A CB -0.821 18.129 19.000 -0.082 0.000 0.818 436 A HN 0.366 nan 8.150 nan 0.000 0.443 437 S N -1.516 114.161 115.700 -0.038 0.000 2.353 437 S HA -0.184 4.287 4.470 0.001 0.000 0.222 437 S C 1.817 176.388 174.600 -0.049 0.000 1.035 437 S CA 1.837 60.008 58.200 -0.048 0.000 1.025 437 S CB -0.526 62.684 63.200 0.016 0.000 0.902 437 S HN 0.678 nan 8.310 nan 0.000 0.440 438 Y N 1.254 121.561 120.300 0.012 0.000 2.457 438 Y HA 0.146 4.697 4.550 0.001 0.000 0.292 438 Y C 2.348 178.268 175.900 0.034 0.000 1.125 438 Y CA 0.324 58.443 58.100 0.031 0.000 1.254 438 Y CB -0.535 37.891 38.460 -0.057 0.000 1.012 438 Y HN 0.265 nan 8.280 nan 0.000 0.555 439 A N 0.020 122.900 122.820 0.101 0.000 1.858 439 A HA -0.198 4.122 4.320 0.001 0.000 0.216 439 A C 2.137 179.780 177.584 0.098 0.000 1.190 439 A CA 1.698 53.767 52.037 0.054 0.000 0.617 439 A CB -1.089 17.880 19.000 -0.051 0.000 0.827 439 A HN 0.384 nan 8.150 nan 0.000 0.443 440 L N -0.664 120.630 121.223 0.119 0.000 2.012 440 L HA -0.155 4.186 4.340 0.001 0.000 0.210 440 L C 2.304 179.249 176.870 0.125 0.000 1.073 440 L CA 2.220 57.156 54.840 0.160 0.000 0.748 440 L CB -0.748 41.397 42.059 0.143 0.000 0.891 440 L HN 0.397 nan 8.230 nan 0.000 0.431 441 L N -1.089 120.189 121.223 0.091 0.000 2.012 441 L HA -0.204 4.136 4.340 0.001 0.000 0.210 441 L C 2.344 179.318 176.870 0.173 0.000 1.073 441 L CA 2.518 57.425 54.840 0.111 0.000 0.748 441 L CB -1.080 41.011 42.059 0.054 0.000 0.891 441 L HN 0.336 nan 8.230 nan 0.000 0.431 442 T N 0.050 114.740 114.554 0.226 0.000 2.684 442 T HA -0.183 4.168 4.350 0.001 0.000 0.267 442 T C 1.943 176.733 174.700 0.149 0.000 1.036 442 T CA 2.084 64.347 62.100 0.272 0.000 1.148 442 T CB -0.399 68.623 68.868 0.256 0.000 0.863 442 T HN 0.332 nan 8.240 nan 0.000 0.436 443 I N 0.708 121.352 120.570 0.123 0.000 2.127 443 I HA -0.180 3.991 4.170 0.001 0.000 0.241 443 I C 2.348 178.470 176.117 0.008 0.000 1.075 443 I CA 1.352 62.707 61.300 0.092 0.000 1.334 443 I CB -0.455 37.646 38.000 0.169 0.000 1.040 443 I HN 0.193 nan 8.210 nan 0.000 0.405 444 L N 0.106 121.334 121.223 0.008 0.000 2.046 444 L HA -0.228 4.112 4.340 0.001 0.000 0.208 444 L C 2.539 179.334 176.870 -0.124 0.000 1.077 444 L CA 1.114 55.884 54.840 -0.117 0.000 0.747 444 L CB -0.478 41.534 42.059 -0.078 0.000 0.896 444 L HN 0.261 nan 8.230 nan 0.000 0.432 445 I N 0.116 120.642 120.570 -0.074 0.000 2.315 445 I HA -0.215 3.955 4.170 0.001 0.000 0.248 445 I C 2.857 178.892 176.117 -0.136 0.000 1.117 445 I CA 1.406 62.622 61.300 -0.140 0.000 1.404 445 I CB -1.529 36.316 38.000 -0.259 0.000 1.071 445 I HN 0.169 nan 8.210 nan 0.000 0.419 446 A N 1.104 123.876 122.820 -0.081 0.000 1.892 446 A HA -0.252 4.069 4.320 0.001 0.000 0.218 446 A C 2.390 179.920 177.584 -0.090 0.000 1.188 446 A CA 1.837 53.837 52.037 -0.062 0.000 0.631 446 A CB -0.593 18.399 19.000 -0.013 0.000 0.822 446 A HN 0.346 nan 8.150 nan 0.000 0.447 447 K N -0.592 119.727 120.400 -0.134 0.000 2.097 447 K HA -0.070 4.251 4.320 0.001 0.000 0.206 447 K C 2.150 178.674 176.600 -0.126 0.000 1.049 447 K CA 1.109 57.292 56.287 -0.172 0.000 0.933 447 K CB -0.289 32.020 32.500 -0.319 0.000 0.717 447 K HN 0.466 nan 8.250 nan 0.000 0.442 448 A N 0.759 123.510 122.820 -0.116 0.000 2.066 448 A HA -0.087 4.233 4.320 0.001 0.000 0.218 448 A C 1.863 179.401 177.584 -0.076 0.000 1.157 448 A CA 1.732 53.721 52.037 -0.079 0.000 0.670 448 A CB -0.337 18.620 19.000 -0.073 0.000 0.804 448 A HN 0.437 nan 8.150 nan 0.000 0.453 449 T N -5.546 108.955 114.554 -0.087 0.000 3.040 449 T HA 0.438 4.789 4.350 0.001 0.000 0.266 449 T C 1.092 175.754 174.700 -0.063 0.000 1.005 449 T CA 0.905 62.957 62.100 -0.079 0.000 0.906 449 T CB 0.196 69.003 68.868 -0.102 0.000 1.082 449 T HN 1.625 nan 8.240 nan 0.000 0.531 450 G N 1.531 110.295 108.800 -0.060 0.000 2.225 450 G HA2 -0.180 3.781 3.960 0.001 0.000 0.264 450 G HA3 -0.180 3.781 3.960 0.001 0.000 0.264 450 G C -0.270 174.607 174.900 -0.038 0.000 1.060 450 G CA 0.340 45.411 45.100 -0.048 0.000 0.833 450 G HN 0.657 nan 8.290 nan 0.000 0.498 451 L N -1.616 119.584 121.223 -0.039 0.000 2.301 451 L HA 0.747 5.087 4.340 0.001 0.000 0.264 451 L C 0.823 177.687 176.870 -0.010 0.000 1.016 451 L CA -1.418 53.410 54.840 -0.021 0.000 0.821 451 L CB 1.540 43.588 42.059 -0.018 0.000 1.346 451 L HN 0.088 nan 8.230 nan 0.000 0.429 452 R N 0.729 121.235 120.500 0.009 0.000 2.428 452 R HA 0.405 4.745 4.340 0.001 0.000 0.294 452 R C -2.458 173.867 176.300 0.043 0.000 1.000 452 R CA -1.702 54.413 56.100 0.024 0.000 0.960 452 R CB 0.835 31.154 30.300 0.031 0.000 1.076 452 R HN 0.238 nan 8.270 nan 0.000 0.475 453 P HA -0.013 nan 4.420 nan 0.000 0.266 453 P C -0.229 177.120 177.300 0.083 0.000 1.195 453 P CA 0.213 63.359 63.100 0.077 0.000 0.768 453 P CB 1.002 32.749 31.700 0.079 0.000 0.838 454 G N 2.270 111.131 108.800 0.102 0.000 2.930 454 G HA2 0.234 4.195 3.960 0.001 0.000 0.209 454 G HA3 0.234 4.195 3.960 0.001 0.000 0.209 454 G C -0.602 174.356 174.900 0.098 0.000 2.018 454 G CA -0.145 45.016 45.100 0.102 0.000 0.751 454 G HN 0.477 nan 8.290 nan 0.000 0.770 455 E N -0.768 119.495 120.200 0.105 0.000 2.277 455 E HA 0.534 4.885 4.350 0.001 0.000 0.266 455 E C -1.654 175.007 176.600 0.102 0.000 0.901 455 E CA -0.756 55.701 56.400 0.094 0.000 0.782 455 E CB 2.895 32.632 29.700 0.062 0.000 1.228 455 E HN 0.186 nan 8.360 nan 0.000 0.424 456 L N 2.400 123.700 121.223 0.129 0.000 2.287 456 L HA 0.350 4.691 4.340 0.001 0.000 0.287 456 L C -1.401 175.560 176.870 0.153 0.000 1.022 456 L CA -0.621 54.294 54.840 0.126 0.000 0.814 456 L CB 1.430 43.570 42.059 0.136 0.000 1.217 456 L HN 0.278 nan 8.230 nan 0.000 0.420 457 V N 4.940 124.889 119.914 0.058 0.000 2.398 457 V HA 0.347 4.467 4.120 0.001 0.000 0.286 457 V C -0.538 175.587 176.094 0.051 0.000 1.026 457 V CA -0.557 61.775 62.300 0.053 0.000 0.868 457 V CB 1.181 32.987 31.823 -0.027 0.000 0.982 457 V HN 0.791 nan 8.190 nan 0.000 0.443 458 H N 2.513 121.602 119.070 0.032 0.000 2.551 458 H HA 0.506 5.062 4.556 0.001 0.000 0.321 458 H C -0.422 174.868 175.328 -0.063 0.000 1.028 458 H CA -0.347 55.695 56.048 -0.011 0.000 1.215 458 H CB 1.058 30.885 29.762 0.108 0.000 1.414 458 H HN 0.700 nan 8.280 nan 0.000 0.480 459 T N 6.668 121.287 114.554 0.108 0.000 2.758 459 T HA 0.294 4.645 4.350 0.001 0.000 0.285 459 T C -0.599 173.993 174.700 -0.180 0.000 0.981 459 T CA -0.663 61.417 62.100 -0.033 0.000 0.965 459 T CB 0.466 69.321 68.868 -0.021 0.000 0.927 459 T HN 0.304 nan 8.240 nan 0.000 0.448 460 L N 2.620 123.723 121.223 -0.199 0.000 2.307 460 L HA 0.647 4.987 4.340 0.001 0.000 0.284 460 L C 1.253 177.937 176.870 -0.310 0.000 1.023 460 L CA -0.309 54.386 54.840 -0.242 0.000 0.810 460 L CB 1.340 43.294 42.059 -0.175 0.000 1.231 460 L HN 0.774 nan 8.230 nan 0.000 0.423 461 G N 0.566 109.191 108.800 -0.291 0.000 2.542 461 G HA2 -0.065 3.896 3.960 0.001 0.000 0.211 461 G HA3 -0.065 3.896 3.960 0.001 0.000 0.211 461 G C -0.124 174.861 174.900 0.141 0.000 1.702 461 G CA -0.019 45.022 45.100 -0.098 0.000 0.935 461 G HN 0.589 nan 8.290 nan 0.000 0.509 462 D N 1.865 122.425 120.400 0.268 0.000 2.435 462 D HA 0.446 5.086 4.640 0.001 0.000 0.230 462 D C 0.004 176.422 176.300 0.196 0.000 1.215 462 D CA -0.228 53.940 54.000 0.279 0.000 0.947 462 D CB 0.428 41.363 40.800 0.225 0.000 1.048 462 D HN 0.266 nan 8.370 nan 0.000 0.512 463 A N 5.343 128.216 122.820 0.089 0.000 2.289 463 A HA 0.481 4.802 4.320 0.001 0.000 0.298 463 A C -0.183 177.383 177.584 -0.030 0.000 1.208 463 A CA -0.525 51.480 52.037 -0.054 0.000 0.845 463 A CB 0.464 19.411 19.000 -0.089 0.000 1.125 463 A HN 0.740 nan 8.150 nan 0.000 0.517 464 H N -0.136 118.889 119.070 -0.074 0.000 2.961 464 H HA 0.743 5.299 4.556 0.001 0.000 0.371 464 H C -1.880 173.360 175.328 -0.146 0.000 1.190 464 H CA -1.049 54.915 56.048 -0.140 0.000 1.138 464 H CB 1.195 30.822 29.762 -0.224 0.000 1.816 464 H HN 0.323 nan 8.280 nan 0.000 0.551 465 V N 2.289 122.188 119.914 -0.026 0.000 2.604 465 V HA 0.176 4.297 4.120 0.001 0.000 0.305 465 V C -0.759 175.301 176.094 -0.056 0.000 1.043 465 V CA -0.785 61.519 62.300 0.006 0.000 0.888 465 V CB 1.436 33.279 31.823 0.033 0.000 0.995 465 V HN 0.619 nan 8.190 nan 0.000 0.429 466 Y N 1.967 122.299 120.300 0.053 0.000 2.397 466 Y HA 0.093 4.644 4.550 0.001 0.000 0.335 466 Y C 1.933 177.784 175.900 -0.083 0.000 1.213 466 Y CA 0.551 58.590 58.100 -0.101 0.000 1.391 466 Y CB 1.089 39.329 38.460 -0.367 0.000 1.293 466 Y HN 0.719 nan 8.280 nan 0.000 0.557 467 S N 1.533 117.288 115.700 0.090 0.000 2.365 467 S HA -0.300 4.170 4.470 0.001 0.000 0.225 467 S C 1.733 176.372 174.600 0.065 0.000 1.039 467 S CA 1.958 60.191 58.200 0.054 0.000 1.033 467 S CB -0.477 62.750 63.200 0.046 0.000 0.887 467 S HN 0.894 nan 8.310 nan 0.000 0.447 468 N N 1.398 120.126 118.700 0.047 0.000 2.166 468 N HA -0.167 4.574 4.740 0.001 0.000 0.186 468 N C 1.096 176.714 175.510 0.179 0.000 1.019 468 N CA 1.563 54.655 53.050 0.071 0.000 0.856 468 N CB -0.927 37.579 38.487 0.032 0.000 0.993 468 N HN 0.380 nan 8.380 nan 0.000 0.426 469 H N -0.512 118.623 119.070 0.109 0.000 2.560 469 H HA 0.113 4.669 4.556 0.001 0.000 0.283 469 H C 1.665 177.035 175.328 0.069 0.000 1.028 469 H CA 0.116 56.223 56.048 0.098 0.000 1.221 469 H CB -0.317 29.532 29.762 0.144 0.000 1.363 469 H HN 0.132 nan 8.280 nan 0.000 0.594 470 V N 0.283 120.297 119.914 0.168 0.000 2.358 470 V HA -0.214 3.907 4.120 0.001 0.000 0.246 470 V C 2.379 178.514 176.094 0.069 0.000 1.047 470 V CA 1.743 64.100 62.300 0.095 0.000 1.035 470 V CB -0.205 31.654 31.823 0.061 0.000 0.658 470 V HN 0.312 nan 8.190 nan 0.000 0.452 471 E N 0.174 120.416 120.200 0.070 0.000 2.017 471 E HA -0.153 4.198 4.350 0.001 0.000 0.193 471 E C -0.109 176.516 176.600 0.042 0.000 0.997 471 E CA 1.922 58.351 56.400 0.048 0.000 0.804 471 E CB -0.930 28.798 29.700 0.047 0.000 0.757 471 E HN 0.513 nan 8.360 nan 0.000 0.448 472 P HA -0.140 nan 4.420 nan 0.000 0.218 472 P C 1.040 178.355 177.300 0.024 0.000 1.148 472 P CA 1.039 64.156 63.100 0.029 0.000 0.822 472 P CB -0.035 31.675 31.700 0.018 0.000 0.784 473 C N -0.432 118.892 119.300 0.041 0.000 2.446 473 C HA -0.040 4.421 4.460 0.001 0.000 0.277 473 C C 2.684 177.680 174.990 0.011 0.000 1.275 473 C CA 0.914 59.951 59.018 0.032 0.000 1.727 473 C CB -1.952 25.815 27.740 0.045 0.000 2.010 473 C HN 0.264 nan 8.230 nan 0.000 0.486 474 N N 0.796 119.503 118.700 0.011 0.000 2.166 474 N HA -0.106 4.635 4.740 0.001 0.000 0.186 474 N C 1.740 177.245 175.510 -0.009 0.000 1.019 474 N CA 1.095 54.144 53.050 -0.002 0.000 0.856 474 N CB -0.438 38.050 38.487 0.003 0.000 0.993 474 N HN 0.558 nan 8.380 nan 0.000 0.426 475 E N 0.911 121.108 120.200 -0.005 0.000 2.031 475 E HA -0.206 4.145 4.350 0.001 0.000 0.193 475 E C 1.840 178.420 176.600 -0.033 0.000 0.994 475 E CA 0.790 57.181 56.400 -0.014 0.000 0.800 475 E CB -0.311 29.386 29.700 -0.006 0.000 0.752 475 E HN 0.513 nan 8.360 nan 0.000 0.447 476 Q N 0.356 120.142 119.800 -0.023 0.000 2.226 476 Q HA -0.101 4.240 4.340 0.001 0.000 0.204 476 Q C 2.284 178.256 176.000 -0.046 0.000 0.975 476 Q CA 0.674 56.457 55.803 -0.034 0.000 0.866 476 Q CB -0.020 28.727 28.738 0.016 0.000 0.915 476 Q HN 0.242 nan 8.270 nan 0.000 0.440 477 L N 0.225 121.429 121.223 -0.031 0.000 2.275 477 L HA -0.137 4.204 4.340 0.001 0.000 0.215 477 L C 2.174 179.014 176.870 -0.049 0.000 1.119 477 L CA 0.783 55.603 54.840 -0.034 0.000 0.790 477 L CB -0.251 41.790 42.059 -0.030 0.000 0.919 477 L HN 0.121 nan 8.230 nan 0.000 0.443 478 K N 0.415 120.779 120.400 -0.060 0.000 2.281 478 K HA -0.087 4.233 4.320 0.001 0.000 0.203 478 K C 0.548 177.086 176.600 -0.103 0.000 1.046 478 K CA 0.776 57.024 56.287 -0.065 0.000 0.938 478 K CB -0.038 32.428 32.500 -0.057 0.000 0.737 478 K HN 0.332 nan 8.250 nan 0.000 0.458 479 R N 1.290 121.685 120.500 -0.174 0.000 2.308 479 R HA 0.169 4.510 4.340 0.001 0.000 0.305 479 R C -0.516 175.679 176.300 -0.175 0.000 1.053 479 R CA -0.391 55.517 56.100 -0.320 0.000 0.957 479 R CB 1.364 31.262 30.300 -0.670 0.000 1.022 479 R HN -0.162 nan 8.270 nan 0.000 0.461 480 V N 6.452 126.319 119.914 -0.078 0.000 2.470 480 V HA 0.108 4.229 4.120 0.001 0.000 0.276 480 V C -1.847 174.310 176.094 0.105 0.000 1.040 480 V CA -1.670 60.646 62.300 0.027 0.000 1.008 480 V CB 0.799 32.664 31.823 0.070 0.000 0.990 480 V HN 0.629 nan 8.190 nan 0.000 0.477 481 P HA 0.152 nan 4.420 nan 0.000 0.267 481 P C -0.059 177.276 177.300 0.059 0.000 1.200 481 P CA 0.155 63.302 63.100 0.077 0.000 0.772 481 P CB 0.590 32.280 31.700 -0.016 0.000 0.855 482 R N 1.168 121.697 120.500 0.049 0.000 2.606 482 R HA 0.700 5.040 4.340 0.001 0.000 0.249 482 R C -0.013 176.184 176.300 -0.172 0.000 1.127 482 R CA -1.049 55.028 56.100 -0.038 0.000 1.133 482 R CB 0.706 30.980 30.300 -0.043 0.000 1.243 482 R HN 0.463 nan 8.270 nan 0.000 0.558 483 A N 1.122 123.864 122.820 -0.131 0.000 2.462 483 A HA 0.247 4.567 4.320 0.001 0.000 0.243 483 A C -0.479 177.053 177.584 -0.087 0.000 1.076 483 A CA -0.125 51.818 52.037 -0.158 0.000 0.773 483 A CB -0.057 18.912 19.000 -0.053 0.000 1.010 483 A HN 0.391 nan 8.150 nan 0.000 0.493 484 F N 2.806 122.723 119.950 -0.054 0.000 2.490 484 F HA 0.301 4.829 4.527 0.001 0.000 0.336 484 F C -1.121 174.562 175.800 -0.194 0.000 1.178 484 F CA -1.524 56.416 58.000 -0.101 0.000 1.301 484 F CB 0.048 38.949 39.000 -0.165 0.000 1.175 484 F HN 0.419 nan 8.300 nan 0.000 0.593 485 P HA 0.192 nan 4.420 nan 0.000 0.297 485 P C -1.569 175.492 177.300 -0.397 0.000 1.303 485 P CA -0.040 63.020 63.100 -0.068 0.000 0.753 485 P CB 0.789 32.434 31.700 -0.091 0.000 1.281 486 Y N -2.060 118.180 120.300 -0.099 0.000 2.536 486 Y HA 0.523 5.074 4.550 0.001 0.000 0.347 486 Y C -0.027 175.747 175.900 -0.211 0.000 1.000 486 Y CA -1.046 56.987 58.100 -0.111 0.000 1.051 486 Y CB 1.487 39.928 38.460 -0.033 0.000 1.259 486 Y HN 0.067 nan 8.280 nan 0.000 0.468 487 L N 3.720 124.918 121.223 -0.041 0.000 2.296 487 L HA 0.803 5.143 4.340 0.001 0.000 0.286 487 L C -0.818 176.023 176.870 -0.047 0.000 1.023 487 L CA -0.725 54.016 54.840 -0.164 0.000 0.812 487 L CB 1.104 43.035 42.059 -0.212 0.000 1.223 487 L HN 0.487 nan 8.230 nan 0.000 0.421 488 V N 1.201 121.046 119.914 -0.115 0.000 2.864 488 V HA 0.624 4.745 4.120 0.001 0.000 0.314 488 V C -0.831 175.182 176.094 -0.136 0.000 1.073 488 V CA -0.747 61.549 62.300 -0.007 0.000 0.956 488 V CB 1.829 33.670 31.823 0.030 0.000 1.023 488 V HN 0.544 nan 8.190 nan 0.000 0.435 489 F N 3.017 123.000 119.950 0.055 0.000 2.332 489 F HA 0.574 5.102 4.527 0.001 0.000 0.368 489 F C 1.505 177.351 175.800 0.077 0.000 1.110 489 F CA -0.771 57.279 58.000 0.082 0.000 1.087 489 F CB 1.862 40.919 39.000 0.096 0.000 1.235 489 F HN 0.725 nan 8.300 nan 0.000 0.470 490 R N 1.567 122.170 120.500 0.172 0.000 2.280 490 R HA 0.124 4.465 4.340 0.001 0.000 0.207 490 R C 0.478 176.864 176.300 0.143 0.000 1.043 490 R CA 0.640 56.815 56.100 0.125 0.000 1.006 490 R CB 0.369 30.713 30.300 0.073 0.000 0.885 490 R HN 0.529 nan 8.270 nan 0.000 0.467 491 R N 0.090 120.720 120.500 0.216 0.000 2.680 491 R HA 0.197 4.537 4.340 0.001 0.000 0.269 491 R C -1.289 175.162 176.300 0.252 0.000 1.026 491 R CA -0.640 55.564 56.100 0.174 0.000 0.889 491 R CB 1.685 32.058 30.300 0.121 0.000 1.241 491 R HN 0.010 nan 8.270 nan 0.000 0.463 492 E N 2.021 122.299 120.200 0.130 0.000 2.281 492 E HA 0.559 4.910 4.350 0.001 0.000 0.257 492 E C -0.528 175.967 176.600 -0.176 0.000 0.971 492 E CA -0.934 55.529 56.400 0.104 0.000 0.839 492 E CB 1.402 31.155 29.700 0.088 0.000 1.238 492 E HN 0.396 nan 8.360 nan 0.000 0.412 493 R N 0.461 120.724 120.500 -0.395 0.000 2.837 493 R HA 0.229 4.570 4.340 0.001 0.000 0.271 493 R C 0.804 176.949 176.300 -0.257 0.000 0.993 493 R CA -0.580 55.247 56.100 -0.455 0.000 0.931 493 R CB 1.349 31.122 30.300 -0.879 0.000 1.206 493 R HN 0.661 nan 8.270 nan 0.000 0.474 494 E N 0.670 120.729 120.200 -0.236 0.000 2.106 494 E HA -0.040 4.311 4.350 0.001 0.000 0.192 494 E C -0.480 175.762 176.600 -0.596 0.000 0.984 494 E CA 1.285 57.438 56.400 -0.413 0.000 0.806 494 E CB 0.264 29.688 29.700 -0.460 0.000 0.750 494 E HN 0.274 nan 8.360 nan 0.000 0.458 495 F N -0.830 119.097 119.950 -0.037 0.000 2.577 495 F HA 0.195 4.722 4.527 0.001 0.000 0.318 495 F C 0.596 176.455 175.800 0.097 0.000 1.065 495 F CA -0.934 57.081 58.000 0.025 0.000 0.929 495 F CB 1.258 40.271 39.000 0.021 0.000 1.237 495 F HN -0.168 nan 8.300 nan 0.000 0.468 496 L N 1.389 122.831 121.223 0.365 0.000 2.083 496 L HA -0.096 4.244 4.340 0.001 0.000 0.209 496 L C 1.730 178.824 176.870 0.374 0.000 1.083 496 L CA 2.097 57.170 54.840 0.387 0.000 0.752 496 L CB -0.534 41.652 42.059 0.212 0.000 0.899 496 L HN 0.657 nan 8.230 nan 0.000 0.433 497 E N -0.514 119.841 120.200 0.257 0.000 2.418 497 E HA -0.122 4.228 4.350 0.001 0.000 0.197 497 E C 1.161 177.859 176.600 0.163 0.000 1.026 497 E CA 0.788 57.296 56.400 0.180 0.000 0.862 497 E CB -0.112 29.654 29.700 0.109 0.000 0.799 497 E HN 0.499 nan 8.360 nan 0.000 0.518 498 D N -0.739 119.760 120.400 0.166 0.000 2.340 498 D HA -0.028 4.613 4.640 0.001 0.000 0.220 498 D C -0.390 175.908 176.300 -0.004 0.000 1.039 498 D CA 0.165 54.207 54.000 0.070 0.000 0.866 498 D CB -0.005 40.832 40.800 0.062 0.000 0.913 498 D HN 0.185 nan 8.370 nan 0.000 0.523 499 Y N 1.591 121.959 120.300 0.113 0.000 2.497 499 Y HA 0.140 4.691 4.550 0.001 0.000 0.334 499 Y C 1.093 177.050 175.900 0.095 0.000 1.199 499 Y CA 0.459 58.631 58.100 0.120 0.000 1.425 499 Y CB 0.642 39.192 38.460 0.151 0.000 1.291 499 Y HN -0.224 nan 8.280 nan 0.000 0.562 500 E N 1.128 121.474 120.200 0.244 0.000 2.312 500 E HA 0.087 4.438 4.350 0.001 0.000 0.267 500 E C 0.495 177.170 176.600 0.125 0.000 0.894 500 E CA -0.786 55.696 56.400 0.137 0.000 0.773 500 E CB 1.716 31.465 29.700 0.082 0.000 1.241 500 E HN 0.630 nan 8.360 nan 0.000 0.432 501 E N 1.928 122.154 120.200 0.043 0.000 2.097 501 E HA -0.189 4.162 4.350 0.001 0.000 0.196 501 E C 1.637 178.264 176.600 0.045 0.000 1.000 501 E CA 1.766 58.165 56.400 -0.000 0.000 0.804 501 E CB -0.240 29.413 29.700 -0.078 0.000 0.740 501 E HN 0.827 nan 8.360 nan 0.000 0.454 502 G N 0.846 109.676 108.800 0.050 0.000 2.479 502 G HA2 -0.245 3.716 3.960 0.001 0.000 0.220 502 G HA3 -0.245 3.716 3.960 0.001 0.000 0.220 502 G C 1.132 176.077 174.900 0.075 0.000 1.115 502 G CA 0.934 46.068 45.100 0.056 0.000 0.757 502 G HN 0.265 nan 8.290 nan 0.000 0.560 503 D N -0.008 120.463 120.400 0.118 0.000 2.312 503 D HA 0.036 4.677 4.640 0.001 0.000 0.211 503 D C 1.555 177.930 176.300 0.124 0.000 0.964 503 D CA 0.579 54.687 54.000 0.180 0.000 0.877 503 D CB 0.035 41.039 40.800 0.340 0.000 0.924 503 D HN 0.532 nan 8.370 nan 0.000 0.515 504 M N -0.703 118.896 119.600 -0.003 0.000 2.591 504 M HA 0.684 5.165 4.480 0.001 0.000 0.306 504 M C -1.191 175.044 176.300 -0.108 0.000 1.190 504 M CA -0.830 54.322 55.300 -0.245 0.000 0.889 504 M CB 3.301 35.523 32.600 -0.630 0.000 1.728 504 M HN -0.402 nan 8.290 nan 0.000 0.458 505 E N 1.292 121.390 120.200 -0.171 0.000 2.272 505 E HA 0.587 4.938 4.350 0.001 0.000 0.269 505 E C -1.902 174.575 176.600 -0.206 0.000 0.877 505 E CA -0.688 55.648 56.400 -0.107 0.000 0.755 505 E CB 2.582 32.249 29.700 -0.055 0.000 1.192 505 E HN 0.629 nan 8.360 nan 0.000 0.422 506 V N 6.185 125.946 119.914 -0.256 0.000 2.318 506 V HA 0.301 4.421 4.120 0.001 0.000 0.271 506 V C 0.129 176.134 176.094 -0.148 0.000 1.030 506 V CA -0.669 61.405 62.300 -0.376 0.000 0.844 506 V CB 0.429 31.797 31.823 -0.757 0.000 1.015 506 V HN 0.582 nan 8.190 nan 0.000 0.460 507 I N 1.659 122.195 120.570 -0.056 0.000 2.676 507 I HA 0.576 4.746 4.170 0.001 0.000 0.309 507 I C 0.211 176.402 176.117 0.124 0.000 0.990 507 I CA -0.345 60.977 61.300 0.036 0.000 1.168 507 I CB 1.643 39.661 38.000 0.031 0.000 1.343 507 I HN 0.667 nan 8.210 nan 0.000 0.482 508 D N 2.334 122.807 120.400 0.123 0.000 2.772 508 D HA -0.283 4.358 4.640 0.001 0.000 0.233 508 D C -0.849 175.575 176.300 0.207 0.000 1.143 508 D CA 0.859 54.953 54.000 0.155 0.000 0.700 508 D CB -1.603 39.325 40.800 0.212 0.000 1.076 508 D HN 0.661 nan 8.370 nan 0.000 0.430 509 Y N 0.778 121.082 120.300 0.007 0.000 2.383 509 Y HA 0.457 5.008 4.550 0.001 0.000 0.344 509 Y C 0.052 175.953 175.900 0.002 0.000 0.986 509 Y CA -1.301 56.793 58.100 -0.009 0.000 1.175 509 Y CB 0.914 39.343 38.460 -0.051 0.000 1.152 509 Y HN 0.108 nan 8.280 nan 0.000 0.511 510 A N 9.199 131.909 122.820 -0.182 0.000 3.248 510 A HA 0.439 4.760 4.320 0.001 0.000 0.315 510 A C -2.771 174.590 177.584 -0.371 0.000 0.974 510 A CA -1.306 50.588 52.037 -0.239 0.000 0.939 510 A CB -0.506 18.434 19.000 -0.100 0.000 1.061 510 A HN 0.520 nan 8.150 nan 0.000 0.481 511 P HA 0.280 nan 4.420 nan 0.000 0.276 511 P C -0.579 176.592 177.300 -0.214 0.000 1.252 511 P CA -0.202 62.663 63.100 -0.392 0.000 0.802 511 P CB 0.623 32.008 31.700 -0.525 0.000 1.035 512 Y N 0.546 120.799 120.300 -0.079 0.000 2.550 512 Y HA 0.083 4.634 4.550 0.001 0.000 0.343 512 Y C -0.952 174.932 175.900 -0.027 0.000 1.245 512 Y CA -0.742 57.339 58.100 -0.032 0.000 1.462 512 Y CB -1.339 37.120 38.460 -0.002 0.000 1.340 512 Y HN 0.411 nan 8.280 nan 0.000 0.604 513 P HA -0.088 nan 4.420 nan 0.000 0.276 513 P C -2.536 174.821 177.300 0.094 0.000 1.286 513 P CA -0.300 62.857 63.100 0.095 0.000 0.883 513 P CB -0.355 31.403 31.700 0.097 0.000 1.125 514 P HA 0.420 nan 4.420 nan 0.000 0.295 514 P C -1.858 175.466 177.300 0.040 0.000 1.319 514 P CA -0.900 62.230 63.100 0.050 0.000 0.940 514 P CB 2.644 34.365 31.700 0.035 0.000 1.192 515 I N 0.000 120.588 120.570 0.029 0.000 2.984 515 I HA 0.000 4.171 4.170 0.001 0.000 0.288 515 I CA 0.000 61.312 61.300 0.020 0.000 1.566 515 I CB 0.000 38.009 38.000 0.016 0.000 1.214 515 I HN 0.000 nan 8.210 nan 0.000 0.494