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 2cjg_1_A DATA FIRST_RESID 15 DATA SEQUENCE TTPDRVHEVL GRSMLVDGLD IVLDLTRSGG SYLVDAITGR RYLDMFTFVA DATA SEQUENCE SSALGMNPPA LVDDREFHAE LMQAALNKPS NSDVYSVAMA RFVETFARVL DATA SEQUENCE GDPALPHLFF VEGGALAVEN ALKAAFDWKS RHNQAHGIDP ALGTQVLHLR DATA SEQUENCE GAFHGRSGYT LSLTNTKPTI TARFPKFDWP RIDAPYMRPG LDEPAMAALE DATA SEQUENCE AEALRQARAA FETRPHDIAC FVAEPIQGEG GDRHFRPEFF AAMRELCDEF DATA SEQUENCE DALLIFDEVQ TGCGLTGTAW AYQQLDVAPD IVAFGKKTQV CGVMAGRRVD DATA SEQUENCE EVADNVFAVP SRLNSTWGGN LTDMVRARRI LEVIEAEGLF ERAVQHGKYL DATA SEQUENCE RARLDELAAD FPAVVLDPRG RGLMCAFSLP TTADRDELIR QLWQRAVIVL DATA SEQUENCE PAGADTVRFR PPLTVSTAEI DAAIAAVRSA LPVVT 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 15 T HA 0.000 nan 4.350 nan 0.000 0.228 15 T C 0.000 174.709 174.700 0.015 0.000 1.109 15 T CA 0.000 62.106 62.100 0.011 0.000 1.349 15 T CB 0.000 68.872 68.868 0.007 0.000 0.612 16 T N 4.533 119.100 114.554 0.021 0.000 2.940 16 T HA 0.664 5.015 4.350 0.002 0.000 0.288 16 T C -1.696 173.026 174.700 0.038 0.000 1.033 16 T CA -1.943 60.173 62.100 0.027 0.000 1.033 16 T CB 1.375 70.258 68.868 0.025 0.000 1.079 16 T HN 0.419 nan 8.240 nan 0.000 0.496 17 P HA -0.152 nan 4.420 nan 0.000 0.216 17 P C 1.156 178.507 177.300 0.085 0.000 1.157 17 P CA 1.251 64.389 63.100 0.063 0.000 0.880 17 P CB 0.022 31.760 31.700 0.063 0.000 0.791 18 D N -1.026 119.415 120.400 0.069 0.000 2.350 18 D HA -0.167 4.475 4.640 0.002 0.000 0.216 18 D C 1.449 177.794 176.300 0.075 0.000 0.968 18 D CA 0.855 54.897 54.000 0.069 0.000 0.894 18 D CB -0.408 40.420 40.800 0.046 0.000 0.909 18 D HN 0.249 nan 8.370 nan 0.000 0.520 19 R N 0.141 120.682 120.500 0.068 0.000 2.362 19 R HA 0.166 4.508 4.340 0.002 0.000 0.227 19 R C 2.151 178.492 176.300 0.068 0.000 0.905 19 R CA -0.112 56.025 56.100 0.061 0.000 1.067 19 R CB 0.538 30.861 30.300 0.038 0.000 1.078 19 R HN 0.049 nan 8.270 nan 0.000 0.516 20 V N 0.889 120.850 119.914 0.079 0.000 2.255 20 V HA -0.310 3.812 4.120 0.002 0.000 0.247 20 V C 2.149 178.243 176.094 -0.001 0.000 1.051 20 V CA 1.827 64.141 62.300 0.023 0.000 1.018 20 V CB -0.583 31.235 31.823 -0.009 0.000 0.641 20 V HN 0.438 nan 8.190 nan 0.000 0.445 21 H N -0.568 118.507 119.070 0.009 0.000 2.387 21 H HA -0.168 4.390 4.556 0.002 0.000 0.299 21 H C 2.419 177.748 175.328 0.003 0.000 1.090 21 H CA 1.741 57.792 56.048 0.004 0.000 1.332 21 H CB 0.147 29.912 29.762 0.004 0.000 1.386 21 H HN 0.600 nan 8.280 nan 0.000 0.516 22 E N 1.119 121.394 120.200 0.126 0.000 2.047 22 E HA -0.114 4.237 4.350 0.002 0.000 0.191 22 E C 2.335 178.958 176.600 0.038 0.000 0.987 22 E CA 1.004 57.445 56.400 0.068 0.000 0.799 22 E CB 0.175 29.907 29.700 0.054 0.000 0.752 22 E HN 0.100 nan 8.360 nan 0.000 0.449 23 V N 1.608 121.539 119.914 0.028 0.000 2.295 23 V HA -0.268 3.853 4.120 0.002 0.000 0.246 23 V C 2.544 178.638 176.094 -0.000 0.000 1.049 23 V CA 1.589 63.895 62.300 0.010 0.000 1.024 23 V CB -0.473 31.352 31.823 0.004 0.000 0.648 23 V HN 0.342 nan 8.190 nan 0.000 0.447 24 L N 0.427 121.641 121.223 -0.014 0.000 2.083 24 L HA -0.066 4.275 4.340 0.002 0.000 0.209 24 L C 2.588 179.453 176.870 -0.008 0.000 1.083 24 L CA 1.600 56.424 54.840 -0.026 0.000 0.752 24 L CB -1.101 40.917 42.059 -0.067 0.000 0.899 24 L HN 0.484 nan 8.230 nan 0.000 0.433 25 G N -0.153 108.653 108.800 0.009 0.000 2.509 25 G HA2 -0.191 3.771 3.960 0.002 0.000 0.218 25 G HA3 -0.191 3.771 3.960 0.002 0.000 0.218 25 G C 1.670 176.578 174.900 0.013 0.000 1.124 25 G CA 0.101 45.212 45.100 0.019 0.000 0.776 25 G HN 0.331 nan 8.290 nan 0.000 0.547 26 R N 0.219 120.725 120.500 0.010 0.000 2.237 26 R HA 0.065 4.406 4.340 0.002 0.000 0.219 26 R C 1.842 178.145 176.300 0.005 0.000 1.080 26 R CA 1.220 57.325 56.100 0.008 0.000 0.995 26 R CB 0.023 30.327 30.300 0.007 0.000 0.875 26 R HN 0.295 nan 8.270 nan 0.000 0.462 27 S N -0.778 114.923 115.700 0.002 0.000 2.593 27 S HA 0.286 4.758 4.470 0.002 0.000 0.235 27 S C 0.359 174.960 174.600 0.001 0.000 1.059 27 S CA -0.006 58.194 58.200 0.001 0.000 0.953 27 S CB 0.706 63.905 63.200 -0.003 0.000 0.897 27 S HN 0.062 nan 8.310 nan 0.000 0.507 28 M N 0.781 120.381 119.600 0.000 0.000 2.618 28 M HA 0.500 4.981 4.480 0.002 0.000 0.281 28 M C -1.626 174.676 176.300 0.004 0.000 1.267 28 M CA -0.879 54.421 55.300 0.000 0.000 0.845 28 M CB 1.501 34.097 32.600 -0.007 0.000 1.732 28 M HN -0.061 nan 8.290 nan 0.000 0.461 29 L N 2.197 123.424 121.223 0.006 0.000 2.433 29 L HA 0.280 4.622 4.340 0.002 0.000 0.275 29 L C -0.379 176.494 176.870 0.005 0.000 1.128 29 L CA 0.057 54.902 54.840 0.008 0.000 0.875 29 L CB 0.863 42.928 42.059 0.010 0.000 1.171 29 L HN 0.547 nan 8.230 nan 0.000 0.463 30 V N 6.045 125.966 119.914 0.012 0.000 2.218 30 V HA 0.340 4.461 4.120 0.002 0.000 0.261 30 V C 0.194 176.301 176.094 0.021 0.000 1.142 30 V CA -0.147 62.164 62.300 0.017 0.000 0.965 30 V CB 0.264 32.111 31.823 0.040 0.000 1.190 30 V HN 0.938 nan 8.190 nan 0.000 0.478 31 D N 3.510 123.909 120.400 -0.001 0.000 2.402 31 D HA 0.236 4.877 4.640 0.002 0.000 0.216 31 D C 0.828 177.101 176.300 -0.046 0.000 1.128 31 D CA 0.370 54.358 54.000 -0.020 0.000 0.833 31 D CB 0.704 41.491 40.800 -0.022 0.000 0.971 31 D HN 0.561 nan 8.370 nan 0.000 0.503 32 G N 0.507 109.287 108.800 -0.033 0.000 2.494 32 G HA2 0.450 4.411 3.960 0.002 0.000 0.270 32 G HA3 0.450 4.411 3.960 0.002 0.000 0.270 32 G C 0.150 174.988 174.900 -0.102 0.000 1.423 32 G CA -0.787 44.275 45.100 -0.063 0.000 1.055 32 G HN 0.174 nan 8.290 nan 0.000 0.536 33 L N -0.058 121.080 121.223 -0.140 0.000 2.467 33 L HA 0.090 4.432 4.340 0.002 0.000 0.270 33 L C 0.978 177.829 176.870 -0.032 0.000 1.205 33 L CA -0.477 54.212 54.840 -0.250 0.000 0.828 33 L CB 0.553 42.455 42.059 -0.262 0.000 1.101 33 L HN 0.418 nan 8.230 nan 0.000 0.479 34 D N 1.056 121.398 120.400 -0.095 0.000 2.350 34 D HA 0.018 4.660 4.640 0.002 0.000 0.216 34 D C 0.642 177.025 176.300 0.138 0.000 0.968 34 D CA 0.637 54.649 54.000 0.020 0.000 0.894 34 D CB -0.103 40.740 40.800 0.072 0.000 0.909 34 D HN 0.434 nan 8.370 nan 0.000 0.520 35 I N -2.294 118.403 120.570 0.211 0.000 3.110 35 I HA 0.329 4.500 4.170 0.002 0.000 0.314 35 I C -0.078 176.179 176.117 0.233 0.000 1.020 35 I CA -0.895 60.515 61.300 0.184 0.000 1.169 35 I CB 1.122 39.156 38.000 0.055 0.000 1.437 35 I HN -0.419 nan 8.210 nan 0.000 0.595 36 V N 3.979 123.999 119.914 0.176 0.000 2.444 36 V HA 0.297 4.419 4.120 0.002 0.000 0.294 36 V C 0.023 176.183 176.094 0.111 0.000 1.022 36 V CA -0.672 61.711 62.300 0.137 0.000 0.850 36 V CB 1.518 33.420 31.823 0.132 0.000 0.992 36 V HN 0.577 nan 8.190 nan 0.000 0.426 37 L N 4.241 125.527 121.223 0.105 0.000 2.477 37 L HA 0.211 4.553 4.340 0.002 0.000 0.272 37 L C 0.305 177.238 176.870 0.103 0.000 1.157 37 L CA 0.246 55.162 54.840 0.127 0.000 0.889 37 L CB 0.626 42.778 42.059 0.154 0.000 1.158 37 L HN 0.701 nan 8.230 nan 0.000 0.473 38 D N 5.210 125.677 120.400 0.110 0.000 2.336 38 D HA 0.077 4.719 4.640 0.002 0.000 0.249 38 D C 1.040 177.397 176.300 0.095 0.000 1.213 38 D CA -0.152 53.902 54.000 0.090 0.000 0.870 38 D CB 1.188 42.041 40.800 0.089 0.000 1.076 38 D HN 0.533 nan 8.370 nan 0.000 0.483 39 L N 2.635 123.902 121.223 0.073 0.000 2.291 39 L HA -0.088 4.253 4.340 0.002 0.000 0.214 39 L C 2.132 179.041 176.870 0.066 0.000 1.120 39 L CA 0.722 55.604 54.840 0.071 0.000 0.799 39 L CB -0.039 42.042 42.059 0.038 0.000 0.925 39 L HN 0.364 nan 8.230 nan 0.000 0.446 40 T N -1.145 113.442 114.554 0.055 0.000 2.983 40 T HA -0.002 4.349 4.350 0.002 0.000 0.250 40 T C 2.005 176.740 174.700 0.058 0.000 1.037 40 T CA 0.667 62.795 62.100 0.048 0.000 1.142 40 T CB 0.120 69.008 68.868 0.034 0.000 0.876 40 T HN 0.211 nan 8.240 nan 0.000 0.455 41 R N 1.115 121.653 120.500 0.064 0.000 2.246 41 R HA 0.233 4.575 4.340 0.002 0.000 0.199 41 R C 0.720 177.071 176.300 0.084 0.000 0.984 41 R CA 0.009 56.147 56.100 0.064 0.000 1.015 41 R CB 0.140 30.473 30.300 0.056 0.000 0.930 41 R HN 0.150 nan 8.270 nan 0.000 0.475 42 S N 0.044 115.808 115.700 0.107 0.000 2.568 42 S HA 0.365 4.836 4.470 0.002 0.000 0.282 42 S C 0.303 174.977 174.600 0.123 0.000 1.338 42 S CA 0.046 58.327 58.200 0.134 0.000 1.045 42 S CB 1.491 64.785 63.200 0.158 0.000 0.873 42 S HN 0.452 nan 8.310 nan 0.000 0.516 43 G N -0.046 108.838 108.800 0.140 0.000 2.752 43 G HA2 0.577 4.538 3.960 0.002 0.000 0.298 43 G HA3 0.577 4.538 3.960 0.002 0.000 0.298 43 G C 0.073 175.059 174.900 0.143 0.000 1.434 43 G CA 0.172 45.344 45.100 0.120 0.000 1.004 43 G HN 1.122 nan 8.290 nan 0.000 0.560 44 G N 1.480 110.338 108.800 0.097 0.000 2.591 44 G HA2 -0.215 3.746 3.960 0.002 0.000 0.298 44 G HA3 -0.215 3.746 3.960 0.002 0.000 0.298 44 G C 1.428 176.348 174.900 0.034 0.000 1.195 44 G CA 0.897 46.044 45.100 0.078 0.000 0.989 44 G HN 1.733 nan 8.290 nan 0.000 0.551 45 S N 0.679 116.382 115.700 0.005 0.000 2.671 45 S HA 0.398 4.869 4.470 0.002 0.000 0.220 45 S C -0.320 173.991 174.600 -0.482 0.000 0.951 45 S CA 0.486 58.549 58.200 -0.229 0.000 0.932 45 S CB -0.072 62.946 63.200 -0.305 0.000 0.777 45 S HN 0.408 nan 8.310 nan 0.000 0.508 46 Y N 0.839 121.159 120.300 0.034 0.000 2.350 46 Y HA 0.502 5.054 4.550 0.002 0.000 0.338 46 Y C -0.108 175.837 175.900 0.074 0.000 0.961 46 Y CA -1.002 57.133 58.100 0.057 0.000 1.100 46 Y CB 0.941 39.428 38.460 0.045 0.000 1.179 46 Y HN -0.028 nan 8.280 nan 0.000 0.454 47 L N 4.111 125.466 121.223 0.219 0.000 2.334 47 L HA 0.615 4.956 4.340 0.002 0.000 0.277 47 L C -0.607 176.419 176.870 0.259 0.000 1.075 47 L CA -1.139 53.827 54.840 0.209 0.000 0.804 47 L CB 1.181 43.345 42.059 0.175 0.000 1.174 47 L HN 0.311 nan 8.230 nan 0.000 0.438 48 V N 1.205 121.243 119.914 0.207 0.000 2.398 48 V HA 0.149 4.271 4.120 0.002 0.000 0.286 48 V C -0.295 175.904 176.094 0.175 0.000 1.026 48 V CA -0.604 61.810 62.300 0.191 0.000 0.868 48 V CB 1.811 33.714 31.823 0.133 0.000 0.982 48 V HN 0.667 nan 8.190 nan 0.000 0.443 49 D N 3.973 124.494 120.400 0.202 0.000 2.339 49 D HA 0.342 4.983 4.640 0.002 0.000 0.256 49 D C 0.986 177.361 176.300 0.125 0.000 1.214 49 D CA 0.284 54.381 54.000 0.161 0.000 0.877 49 D CB 1.879 42.806 40.800 0.211 0.000 1.111 49 D HN 0.597 nan 8.370 nan 0.000 0.478 50 A N 4.287 127.171 122.820 0.107 0.000 2.067 50 A HA -0.103 4.218 4.320 0.002 0.000 0.219 50 A C 2.144 179.775 177.584 0.078 0.000 1.158 50 A CA 0.818 52.906 52.037 0.085 0.000 0.661 50 A CB -0.444 18.602 19.000 0.076 0.000 0.801 50 A HN 0.763 nan 8.150 nan 0.000 0.452 51 I N -0.323 120.301 120.570 0.090 0.000 2.193 51 I HA -0.169 4.003 4.170 0.002 0.000 0.240 51 I C 2.704 178.861 176.117 0.067 0.000 1.084 51 I CA 1.860 63.206 61.300 0.077 0.000 1.365 51 I CB -0.236 37.814 38.000 0.083 0.000 1.064 51 I HN 0.505 nan 8.210 nan 0.000 0.410 52 T N -2.963 111.638 114.554 0.079 0.000 3.015 52 T HA 0.292 4.644 4.350 0.002 0.000 0.250 52 T C 1.615 176.346 174.700 0.051 0.000 1.057 52 T CA 0.507 62.643 62.100 0.061 0.000 1.066 52 T CB 0.658 69.566 68.868 0.066 0.000 0.959 52 T HN 0.484 nan 8.240 nan 0.000 0.488 53 G N 1.737 110.577 108.800 0.068 0.000 2.159 53 G HA2 -0.291 3.670 3.960 0.002 0.000 0.256 53 G HA3 -0.291 3.670 3.960 0.002 0.000 0.256 53 G C 0.169 175.097 174.900 0.047 0.000 0.977 53 G CA 0.142 45.275 45.100 0.054 0.000 0.652 53 G HN 0.843 nan 8.290 nan 0.000 0.531 54 R N 0.404 120.941 120.500 0.061 0.000 2.537 54 R HA 0.595 4.937 4.340 0.002 0.000 0.280 54 R C 0.551 176.883 176.300 0.053 0.000 1.058 54 R CA -0.136 55.962 56.100 -0.002 0.000 1.057 54 R CB 0.239 30.506 30.300 -0.056 0.000 0.973 54 R HN 0.298 nan 8.270 nan 0.000 0.438 55 R N 2.884 123.358 120.500 -0.043 0.000 2.349 55 R HA 0.287 4.628 4.340 0.002 0.000 0.299 55 R C -1.135 175.147 176.300 -0.030 0.000 1.027 55 R CA -0.079 56.058 56.100 0.062 0.000 0.958 55 R CB 0.845 31.144 30.300 -0.001 0.000 1.047 55 R HN 0.555 nan 8.270 nan 0.000 0.468 56 Y N 2.879 123.246 120.300 0.112 0.000 2.341 56 Y HA 0.280 4.831 4.550 0.002 0.000 0.338 56 Y C -0.469 175.459 175.900 0.046 0.000 0.965 56 Y CA -1.075 57.038 58.100 0.023 0.000 1.108 56 Y CB 1.513 39.932 38.460 -0.068 0.000 1.180 56 Y HN 0.375 nan 8.280 nan 0.000 0.458 57 L N 4.506 125.775 121.223 0.077 0.000 2.418 57 L HA 0.199 4.540 4.340 0.002 0.000 0.274 57 L C -0.294 176.540 176.870 -0.059 0.000 1.135 57 L CA 0.136 54.877 54.840 -0.164 0.000 0.870 57 L CB 0.130 42.133 42.059 -0.094 0.000 1.154 57 L HN 0.572 nan 8.230 nan 0.000 0.462 58 D N 5.780 126.096 120.400 -0.139 0.000 2.428 58 D HA 0.204 4.845 4.640 0.002 0.000 0.221 58 D C 0.037 176.342 176.300 0.008 0.000 1.123 58 D CA -0.151 53.844 54.000 -0.009 0.000 0.869 58 D CB 0.596 41.360 40.800 -0.059 0.000 1.032 58 D HN 0.487 nan 8.370 nan 0.000 0.506 59 M N 4.216 123.871 119.600 0.092 0.000 2.756 59 M HA 0.154 4.636 4.480 0.002 0.000 0.320 59 M C 0.139 176.521 176.300 0.137 0.000 1.245 59 M CA -0.178 55.193 55.300 0.118 0.000 0.972 59 M CB -0.408 32.302 32.600 0.184 0.000 1.327 59 M HN 0.495 nan 8.290 nan 0.000 0.505 60 F N 0.074 119.982 119.950 -0.071 0.000 2.658 60 F HA 0.117 4.645 4.527 0.002 0.000 0.293 60 F C 1.067 176.808 175.800 -0.099 0.000 0.986 60 F CA 0.991 58.945 58.000 -0.075 0.000 1.182 60 F CB 0.249 39.214 39.000 -0.058 0.000 0.965 60 F HN 0.283 nan 8.300 nan 0.000 0.659 61 T N 0.082 114.265 114.554 -0.618 0.000 3.795 61 T HA -0.325 4.026 4.350 0.002 0.000 0.370 61 T C -0.128 174.079 174.700 -0.821 0.000 0.761 61 T CA 0.597 62.284 62.100 -0.689 0.000 1.923 61 T CB -3.495 65.191 68.868 -0.303 0.000 1.795 61 T HN 0.833 nan 8.240 nan 0.000 0.762 62 F N -1.867 117.307 119.950 -1.294 0.000 3.027 62 F HA -0.159 4.369 4.527 0.002 0.000 0.276 62 F C 1.191 176.631 175.800 -0.599 0.000 0.967 62 F CA 0.244 57.696 58.000 -0.913 0.000 0.929 62 F CB -2.612 36.193 39.000 -0.324 0.000 0.873 62 F HN 1.167 nan 8.300 nan 0.000 0.787 63 V N -2.233 117.303 119.914 -0.630 0.000 5.961 63 V HA -0.056 4.065 4.120 0.002 0.000 0.311 63 V C 1.312 177.339 176.094 -0.112 0.000 0.552 63 V CA 0.840 63.041 62.300 -0.165 0.000 0.641 63 V CB -2.307 29.521 31.823 0.007 0.000 0.286 63 V HN 2.375 nan 8.190 nan 0.000 0.939 64 A N -0.333 122.392 122.820 -0.159 0.000 2.899 64 A HA -0.231 4.090 4.320 0.002 0.000 0.257 64 A C 1.679 179.253 177.584 -0.018 0.000 1.335 64 A CA 2.055 54.051 52.037 -0.068 0.000 0.924 64 A CB -2.002 16.990 19.000 -0.014 0.000 1.105 64 A HN 2.353 nan 8.150 nan 0.000 0.765 65 S N -1.325 114.370 115.700 -0.008 0.000 2.556 65 S HA 0.497 4.969 4.470 0.002 0.000 0.216 65 S C 0.535 175.188 174.600 0.088 0.000 0.970 65 S CA 0.839 59.078 58.200 0.065 0.000 0.912 65 S CB 0.100 63.352 63.200 0.086 0.000 0.790 65 S HN 1.673 nan 8.310 nan 0.000 0.504 66 S N 0.573 116.303 115.700 0.049 0.000 2.498 66 S HA 0.725 5.197 4.470 0.002 0.000 0.324 66 S C 0.873 175.476 174.600 0.005 0.000 1.071 66 S CA -0.225 58.010 58.200 0.058 0.000 1.113 66 S CB 1.007 64.231 63.200 0.041 0.000 0.976 66 S HN 0.467 nan 8.310 nan 0.000 0.462 67 A N 4.913 127.744 122.820 0.019 0.000 1.930 67 A HA 0.222 4.544 4.320 0.002 0.000 0.215 67 A C 1.488 179.059 177.584 -0.022 0.000 1.176 67 A CA 0.808 52.844 52.037 -0.003 0.000 0.632 67 A CB -0.295 18.705 19.000 0.000 0.000 0.819 67 A HN 0.797 nan 8.150 nan 0.000 0.445 68 L N -1.462 119.751 121.223 -0.016 0.000 2.693 68 L HA 0.368 4.709 4.340 0.002 0.000 0.235 68 L C 1.242 178.101 176.870 -0.017 0.000 1.127 68 L CA 0.172 54.996 54.840 -0.027 0.000 0.914 68 L CB -0.545 41.497 42.059 -0.029 0.000 1.193 68 L HN 0.588 nan 8.230 nan 0.000 0.502 69 G N 0.803 109.592 108.800 -0.019 0.000 2.693 69 G HA2 -0.220 3.742 3.960 0.002 0.000 0.226 69 G HA3 -0.220 3.742 3.960 0.002 0.000 0.226 69 G C -0.262 174.659 174.900 0.034 0.000 1.354 69 G CA -0.744 44.339 45.100 -0.028 0.000 0.873 69 G HN -0.091 nan 8.290 nan 0.000 0.562 70 M N 1.522 121.152 119.600 0.050 0.000 2.233 70 M HA 0.233 4.715 4.480 0.002 0.000 0.350 70 M C 0.982 177.340 176.300 0.096 0.000 1.176 70 M CA -0.144 55.224 55.300 0.114 0.000 1.150 70 M CB 0.269 32.951 32.600 0.136 0.000 1.530 70 M HN 0.735 nan 8.290 nan 0.000 0.459 71 N N 0.969 119.731 118.700 0.103 0.000 2.688 71 N HA -0.128 4.613 4.740 0.002 0.000 0.258 71 N C -2.463 173.092 175.510 0.075 0.000 1.016 71 N CA 0.298 53.402 53.050 0.091 0.000 0.747 71 N CB -1.480 37.059 38.487 0.087 0.000 0.895 71 N HN 0.389 nan 8.380 nan 0.000 0.543 72 P HA 0.102 nan 4.420 nan 0.000 0.268 72 P C -1.626 175.696 177.300 0.037 0.000 1.204 72 P CA -1.046 62.074 63.100 0.033 0.000 0.768 72 P CB 0.421 32.123 31.700 0.003 0.000 0.842 73 P HA -0.202 nan 4.420 nan 0.000 0.216 73 P C 1.370 178.679 177.300 0.014 0.000 1.150 73 P CA 1.927 65.044 63.100 0.028 0.000 0.843 73 P CB -0.369 31.338 31.700 0.013 0.000 0.787 74 A N -1.716 121.092 122.820 -0.020 0.000 2.070 74 A HA -0.128 4.194 4.320 0.002 0.000 0.220 74 A C 1.948 179.489 177.584 -0.072 0.000 1.159 74 A CA 1.399 53.401 52.037 -0.057 0.000 0.656 74 A CB -1.238 17.706 19.000 -0.094 0.000 0.800 74 A HN 0.111 nan 8.150 nan 0.000 0.453 75 L N -1.588 119.619 121.223 -0.027 0.000 2.200 75 L HA 0.058 4.399 4.340 0.002 0.000 0.200 75 L C 2.441 179.517 176.870 0.344 0.000 1.072 75 L CA 0.941 55.807 54.840 0.044 0.000 0.787 75 L CB -0.529 41.558 42.059 0.047 0.000 0.957 75 L HN 0.134 nan 8.230 nan 0.000 0.459 76 V N -0.143 119.927 119.914 0.260 0.000 2.407 76 V HA -0.242 3.880 4.120 0.002 0.000 0.248 76 V C 1.519 177.802 176.094 0.314 0.000 1.055 76 V CA 1.736 64.231 62.300 0.326 0.000 1.049 76 V CB -0.459 31.464 31.823 0.167 0.000 0.662 76 V HN 0.416 nan 8.190 nan 0.000 0.455 77 D N -0.838 119.633 120.400 0.118 0.000 2.350 77 D HA 0.026 4.667 4.640 0.002 0.000 0.213 77 D C 0.708 176.934 176.300 -0.124 0.000 1.031 77 D CA 0.279 54.285 54.000 0.011 0.000 0.861 77 D CB -0.045 40.760 40.800 0.007 0.000 0.926 77 D HN 0.361 nan 8.370 nan 0.000 0.520 78 D N 0.428 120.731 120.400 -0.162 0.000 2.422 78 D HA 0.123 4.764 4.640 0.002 0.000 0.227 78 D C 1.487 177.546 176.300 -0.402 0.000 1.190 78 D CA -0.075 53.830 54.000 -0.159 0.000 0.905 78 D CB 0.433 41.232 40.800 -0.002 0.000 1.034 78 D HN -0.012 nan 8.370 nan 0.000 0.507 79 R N 3.610 123.914 120.500 -0.328 0.000 2.120 79 R HA -0.143 4.199 4.340 0.002 0.000 0.234 79 R C 1.772 178.002 176.300 -0.117 0.000 1.123 79 R CA 1.682 57.609 56.100 -0.288 0.000 0.975 79 R CB -0.982 29.250 30.300 -0.115 0.000 0.866 79 R HN 0.636 nan 8.270 nan 0.000 0.446 80 E N -0.734 119.439 120.200 -0.044 0.000 2.072 80 E HA -0.092 4.260 4.350 0.002 0.000 0.190 80 E C 1.922 178.569 176.600 0.077 0.000 0.982 80 E CA 1.088 57.501 56.400 0.022 0.000 0.803 80 E CB -0.264 29.457 29.700 0.035 0.000 0.755 80 E HN 0.581 nan 8.360 nan 0.000 0.453 81 F N 2.304 122.234 119.950 -0.033 0.000 2.134 81 F HA -0.198 4.331 4.527 0.002 0.000 0.299 81 F C 2.133 178.013 175.800 0.134 0.000 1.097 81 F CA 1.601 59.622 58.000 0.035 0.000 1.264 81 F CB -0.284 38.736 39.000 0.034 0.000 1.001 81 F HN -0.013 nan 8.300 nan 0.000 0.479 82 H N 0.304 119.270 119.070 -0.174 0.000 2.319 82 H HA -0.124 4.433 4.556 0.002 0.000 0.297 82 H C 2.432 177.614 175.328 -0.242 0.000 1.097 82 H CA 1.365 57.263 56.048 -0.250 0.000 1.285 82 H CB -1.243 28.473 29.762 -0.077 0.000 1.368 82 H HN 0.364 nan 8.280 nan 0.000 0.495 83 A N 0.828 123.646 122.820 -0.003 0.000 1.933 83 A HA -0.189 4.132 4.320 0.002 0.000 0.218 83 A C 2.294 179.827 177.584 -0.085 0.000 1.175 83 A CA 1.803 53.818 52.037 -0.037 0.000 0.628 83 A CB -0.334 18.662 19.000 -0.007 0.000 0.814 83 A HN 0.532 nan 8.150 nan 0.000 0.444 84 E N -0.786 119.345 120.200 -0.115 0.000 2.047 84 E HA -0.144 4.208 4.350 0.002 0.000 0.191 84 E C 1.952 178.437 176.600 -0.192 0.000 0.987 84 E CA 1.092 57.428 56.400 -0.106 0.000 0.799 84 E CB -0.259 29.426 29.700 -0.025 0.000 0.752 84 E HN 0.468 nan 8.360 nan 0.000 0.449 85 L N 0.743 121.722 121.223 -0.407 0.000 2.012 85 L HA -0.187 4.154 4.340 0.002 0.000 0.210 85 L C 2.377 179.104 176.870 -0.238 0.000 1.073 85 L CA 1.751 56.342 54.840 -0.416 0.000 0.748 85 L CB -0.363 41.249 42.059 -0.745 0.000 0.891 85 L HN 0.165 nan 8.230 nan 0.000 0.431 86 M N -0.883 118.593 119.600 -0.206 0.000 2.117 86 M HA -0.247 4.234 4.480 0.002 0.000 0.262 86 M C 2.233 178.472 176.300 -0.101 0.000 1.065 86 M CA 1.792 57.010 55.300 -0.137 0.000 1.114 86 M CB -0.318 32.217 32.600 -0.109 0.000 1.361 86 M HN 0.355 nan 8.290 nan 0.000 0.408 87 Q N -0.512 119.235 119.800 -0.089 0.000 2.135 87 Q HA -0.165 4.177 4.340 0.002 0.000 0.204 87 Q C 2.093 178.055 176.000 -0.064 0.000 0.981 87 Q CA 1.797 57.564 55.803 -0.061 0.000 0.856 87 Q CB -0.385 28.326 28.738 -0.044 0.000 0.902 87 Q HN 0.731 nan 8.270 nan 0.000 0.425 88 A N 0.597 123.368 122.820 -0.081 0.000 1.929 88 A HA 0.016 4.338 4.320 0.002 0.000 0.216 88 A C 2.200 179.728 177.584 -0.095 0.000 1.176 88 A CA 1.294 53.283 52.037 -0.081 0.000 0.628 88 A CB -0.526 18.422 19.000 -0.087 0.000 0.816 88 A HN 0.377 nan 8.150 nan 0.000 0.444 89 A N -0.484 122.272 122.820 -0.107 0.000 2.014 89 A HA 0.135 4.456 4.320 0.002 0.000 0.218 89 A C 2.035 179.561 177.584 -0.096 0.000 1.163 89 A CA 1.020 52.990 52.037 -0.111 0.000 0.652 89 A CB -0.482 18.448 19.000 -0.117 0.000 0.808 89 A HN 0.443 nan 8.150 nan 0.000 0.449 90 L N -0.286 120.890 121.223 -0.079 0.000 2.141 90 L HA -0.078 4.263 4.340 0.002 0.000 0.209 90 L C 0.574 177.410 176.870 -0.057 0.000 1.094 90 L CA 0.657 55.459 54.840 -0.062 0.000 0.763 90 L CB -0.274 41.755 42.059 -0.049 0.000 0.908 90 L HN 0.425 nan 8.230 nan 0.000 0.437 91 N N -0.735 117.929 118.700 -0.060 0.000 2.701 91 N HA 0.290 5.031 4.740 0.002 0.000 0.290 91 N C -0.804 174.660 175.510 -0.077 0.000 1.338 91 N CA -0.591 52.431 53.050 -0.048 0.000 0.799 91 N CB 1.856 40.329 38.487 -0.023 0.000 1.491 91 N HN -0.163 nan 8.380 nan 0.000 0.540 92 K N 1.257 121.621 120.400 -0.060 0.000 2.814 92 K HA 0.357 4.678 4.320 0.002 0.000 0.205 92 K C -2.732 173.879 176.600 0.018 0.000 1.093 92 K CA -1.170 55.039 56.287 -0.130 0.000 1.035 92 K CB 0.752 33.054 32.500 -0.331 0.000 1.220 92 K HN 0.279 nan 8.250 nan 0.000 0.576 93 P HA 0.028 nan 4.420 nan 0.000 0.272 93 P C -0.744 176.699 177.300 0.239 0.000 1.223 93 P CA -0.349 62.820 63.100 0.115 0.000 0.784 93 P CB 0.827 32.563 31.700 0.060 0.000 0.923 94 S N 1.097 116.932 115.700 0.225 0.000 2.494 94 S HA 0.126 4.597 4.470 0.002 0.000 0.312 94 S C 0.853 175.523 174.600 0.118 0.000 1.121 94 S CA -0.633 57.693 58.200 0.209 0.000 1.068 94 S CB -0.582 62.659 63.200 0.069 0.000 1.141 94 S HN 0.257 nan 8.310 nan 0.000 0.527 95 N N 2.915 121.706 118.700 0.152 0.000 2.443 95 N HA -0.092 4.649 4.740 0.002 0.000 0.184 95 N C 1.388 177.011 175.510 0.189 0.000 1.037 95 N CA 0.855 53.999 53.050 0.158 0.000 0.896 95 N CB -0.355 38.226 38.487 0.156 0.000 0.959 95 N HN 0.605 nan 8.380 nan 0.000 0.442 96 S N 0.981 116.765 115.700 0.139 0.000 2.383 96 S HA -0.103 4.368 4.470 0.002 0.000 0.229 96 S C 1.141 175.782 174.600 0.068 0.000 1.030 96 S CA 1.207 59.489 58.200 0.137 0.000 1.002 96 S CB 0.036 63.291 63.200 0.091 0.000 0.829 96 S HN 0.427 nan 8.310 nan 0.000 0.467 97 D N -0.313 120.050 120.400 -0.063 0.000 2.514 97 D HA 0.168 4.809 4.640 0.002 0.000 0.249 97 D C -0.050 175.983 176.300 -0.444 0.000 1.036 97 D CA 0.476 54.362 54.000 -0.190 0.000 0.911 97 D CB 0.494 41.233 40.800 -0.102 0.000 1.145 97 D HN 0.166 nan 8.370 nan 0.000 0.495 98 V N 2.517 122.219 119.914 -0.353 0.000 2.407 98 V HA 0.250 4.372 4.120 0.002 0.000 0.291 98 V C -0.934 175.040 176.094 -0.200 0.000 1.018 98 V CA -0.890 61.220 62.300 -0.316 0.000 0.842 98 V CB 0.857 32.615 31.823 -0.107 0.000 0.996 98 V HN -0.049 nan 8.190 nan 0.000 0.426 99 Y N 2.247 122.581 120.300 0.056 0.000 2.354 99 Y HA 0.754 5.306 4.550 0.002 0.000 0.322 99 Y C 0.854 176.783 175.900 0.049 0.000 1.253 99 Y CA -1.043 57.092 58.100 0.059 0.000 1.272 99 Y CB 1.749 40.248 38.460 0.065 0.000 1.255 99 Y HN 0.749 nan 8.280 nan 0.000 0.500 100 S N -1.452 114.386 115.700 0.231 0.000 2.618 100 S HA 0.479 4.950 4.470 0.002 0.000 0.277 100 S C 0.003 174.673 174.600 0.116 0.000 1.138 100 S CA -0.812 57.469 58.200 0.134 0.000 0.844 100 S CB 1.206 64.462 63.200 0.092 0.000 1.127 100 S HN 0.259 nan 8.310 nan 0.000 0.474 101 V N 1.376 121.341 119.914 0.086 0.000 2.343 101 V HA -0.136 3.986 4.120 0.002 0.000 0.247 101 V C 2.998 179.140 176.094 0.080 0.000 1.051 101 V CA 2.587 64.932 62.300 0.074 0.000 1.036 101 V CB -1.608 30.250 31.823 0.059 0.000 0.654 101 V HN 1.024 nan 8.190 nan 0.000 0.451 102 A N -0.363 122.501 122.820 0.074 0.000 1.883 102 A HA -0.317 4.004 4.320 0.002 0.000 0.217 102 A C 2.308 179.955 177.584 0.105 0.000 1.186 102 A CA 2.577 54.661 52.037 0.077 0.000 0.624 102 A CB -0.557 18.470 19.000 0.045 0.000 0.822 102 A HN 0.538 nan 8.150 nan 0.000 0.444 103 M N -0.412 119.249 119.600 0.102 0.000 2.086 103 M HA -0.129 4.353 4.480 0.002 0.000 0.261 103 M C 2.275 178.671 176.300 0.159 0.000 1.067 103 M CA 1.870 57.250 55.300 0.134 0.000 1.116 103 M CB -0.296 32.383 32.600 0.132 0.000 1.348 103 M HN 0.406 nan 8.290 nan 0.000 0.407 104 A N 0.728 123.614 122.820 0.110 0.000 1.933 104 A HA -0.187 4.134 4.320 0.002 0.000 0.218 104 A C 2.076 179.703 177.584 0.072 0.000 1.175 104 A CA 1.799 53.880 52.037 0.073 0.000 0.628 104 A CB -0.685 18.346 19.000 0.050 0.000 0.814 104 A HN 0.620 nan 8.150 nan 0.000 0.444 105 R N -1.876 118.680 120.500 0.093 0.000 2.081 105 R HA -0.109 4.233 4.340 0.002 0.000 0.235 105 R C 2.015 178.378 176.300 0.105 0.000 1.131 105 R CA 1.545 57.697 56.100 0.087 0.000 0.960 105 R CB -0.532 29.827 30.300 0.098 0.000 0.856 105 R HN 0.624 nan 8.270 nan 0.000 0.436 106 F N 1.358 121.317 119.950 0.015 0.000 2.095 106 F HA -0.214 4.314 4.527 0.002 0.000 0.298 106 F C 1.957 177.779 175.800 0.037 0.000 1.104 106 F CA 1.372 59.375 58.000 0.004 0.000 1.232 106 F CB -0.473 38.484 39.000 -0.071 0.000 0.987 106 F HN -0.284 nan 8.300 nan 0.000 0.475 107 V N 1.943 121.697 119.914 -0.266 0.000 2.343 107 V HA -0.313 3.808 4.120 0.002 0.000 0.247 107 V C 2.487 178.506 176.094 -0.126 0.000 1.051 107 V CA 2.301 64.432 62.300 -0.282 0.000 1.036 107 V CB -1.130 30.697 31.823 0.005 0.000 0.654 107 V HN 0.609 nan 8.190 nan 0.000 0.451 108 E N 1.082 121.248 120.200 -0.056 0.000 2.152 108 E HA -0.222 4.129 4.350 0.002 0.000 0.192 108 E C 2.120 178.702 176.600 -0.029 0.000 0.983 108 E CA 1.702 58.091 56.400 -0.018 0.000 0.818 108 E CB -0.596 29.104 29.700 -0.000 0.000 0.758 108 E HN 0.681 nan 8.360 nan 0.000 0.467 109 T N -1.172 113.348 114.554 -0.056 0.000 2.857 109 T HA -0.147 4.204 4.350 0.002 0.000 0.266 109 T C 1.716 176.367 174.700 -0.081 0.000 1.048 109 T CA 0.675 62.741 62.100 -0.057 0.000 1.139 109 T CB -0.611 68.238 68.868 -0.032 0.000 0.874 109 T HN 0.244 nan 8.240 nan 0.000 0.455 110 F N 2.713 122.466 119.950 -0.328 0.000 2.065 110 F HA -0.005 4.524 4.527 0.002 0.000 0.298 110 F C 2.714 178.441 175.800 -0.122 0.000 1.112 110 F CA 1.511 59.334 58.000 -0.296 0.000 1.212 110 F CB -0.918 37.759 39.000 -0.538 0.000 0.975 110 F HN 0.297 nan 8.300 nan 0.000 0.476 111 A N 0.308 123.236 122.820 0.179 0.000 1.902 111 A HA -0.223 4.098 4.320 0.002 0.000 0.217 111 A C 2.422 180.020 177.584 0.024 0.000 1.181 111 A CA 1.783 53.900 52.037 0.134 0.000 0.623 111 A CB -0.875 18.184 19.000 0.099 0.000 0.818 111 A HN 0.470 nan 8.150 nan 0.000 0.443 112 R N -0.377 120.115 120.500 -0.014 0.000 2.062 112 R HA -0.090 4.251 4.340 0.002 0.000 0.231 112 R C 1.919 178.184 176.300 -0.059 0.000 1.136 112 R CA 2.051 58.132 56.100 -0.032 0.000 0.948 112 R CB -0.343 29.934 30.300 -0.037 0.000 0.845 112 R HN 0.348 nan 8.270 nan 0.000 0.430 113 V N 0.692 120.539 119.914 -0.112 0.000 2.446 113 V HA -0.095 4.026 4.120 0.002 0.000 0.244 113 V C 2.014 178.030 176.094 -0.131 0.000 1.039 113 V CA 1.214 63.436 62.300 -0.129 0.000 1.045 113 V CB -0.065 31.649 31.823 -0.182 0.000 0.681 113 V HN 0.303 nan 8.190 nan 0.000 0.459 114 L N -0.263 120.799 121.223 -0.267 0.000 2.731 114 L HA 0.408 4.750 4.340 0.002 0.000 0.240 114 L C 1.433 178.341 176.870 0.064 0.000 1.120 114 L CA 0.083 54.765 54.840 -0.264 0.000 0.913 114 L CB -0.204 41.421 42.059 -0.723 0.000 1.213 114 L HN 0.384 nan 8.230 nan 0.000 0.515 115 G N 0.113 108.928 108.800 0.025 0.000 2.554 115 G HA2 0.117 4.079 3.960 0.002 0.000 0.238 115 G HA3 0.117 4.079 3.960 0.002 0.000 0.238 115 G C -1.058 173.928 174.900 0.144 0.000 1.259 115 G CA 0.010 45.187 45.100 0.128 0.000 0.843 115 G HN 0.023 nan 8.290 nan 0.000 0.582 116 D N 1.179 121.658 120.400 0.131 0.000 2.629 116 D HA 0.293 4.934 4.640 0.002 0.000 0.250 116 D C -1.402 174.925 176.300 0.045 0.000 1.126 116 D CA -1.978 52.090 54.000 0.113 0.000 0.852 116 D CB 2.494 43.391 40.800 0.162 0.000 1.335 116 D HN 0.094 nan 8.370 nan 0.000 0.518 117 P HA -0.060 nan 4.420 nan 0.000 0.222 117 P C 0.883 178.166 177.300 -0.028 0.000 1.147 117 P CA 0.483 63.583 63.100 -0.001 0.000 0.790 117 P CB 0.292 31.996 31.700 0.007 0.000 0.780 118 A N -0.510 122.298 122.820 -0.020 0.000 2.167 118 A HA 0.096 4.418 4.320 0.002 0.000 0.214 118 A C 1.432 178.958 177.584 -0.097 0.000 1.151 118 A CA 0.458 52.465 52.037 -0.049 0.000 0.735 118 A CB -0.659 18.321 19.000 -0.034 0.000 0.802 118 A HN 0.193 nan 8.150 nan 0.000 0.467 119 L N 0.477 121.638 121.223 -0.102 0.000 2.679 119 L HA 0.258 4.599 4.340 0.002 0.000 0.238 119 L C -1.846 174.912 176.870 -0.187 0.000 1.330 119 L CA -1.163 53.584 54.840 -0.154 0.000 0.935 119 L CB 1.436 43.416 42.059 -0.131 0.000 1.243 119 L HN 0.108 nan 8.230 nan 0.000 0.484 120 P HA -0.073 nan 4.420 nan 0.000 0.231 120 P C 0.139 177.227 177.300 -0.354 0.000 1.168 120 P CA 0.678 63.588 63.100 -0.318 0.000 0.779 120 P CB 0.219 31.685 31.700 -0.389 0.000 0.844 121 H N 0.635 119.582 119.070 -0.205 0.000 2.668 121 H HA 0.309 4.866 4.556 0.002 0.000 0.303 121 H C 0.047 175.195 175.328 -0.300 0.000 1.074 121 H CA -0.418 55.451 56.048 -0.299 0.000 1.406 121 H CB 0.714 30.079 29.762 -0.662 0.000 1.442 121 H HN -0.005 nan 8.280 nan 0.000 0.482 122 L N 4.183 125.371 121.223 -0.058 0.000 2.334 122 L HA 0.397 4.738 4.340 0.002 0.000 0.276 122 L C -0.526 176.253 176.870 -0.152 0.000 1.014 122 L CA -0.733 53.996 54.840 -0.184 0.000 0.815 122 L CB 1.232 43.160 42.059 -0.217 0.000 1.268 122 L HN 0.476 nan 8.230 nan 0.000 0.428 123 F N 2.959 122.600 119.950 -0.516 0.000 2.581 123 F HA 0.691 5.219 4.527 0.002 0.000 0.311 123 F C -1.522 173.929 175.800 -0.581 0.000 1.113 123 F CA -0.749 57.049 58.000 -0.337 0.000 0.935 123 F CB 1.437 40.459 39.000 0.036 0.000 1.232 123 F HN 0.214 nan 8.300 nan 0.000 0.445 124 F N 5.244 124.852 119.950 -0.571 0.000 2.522 124 F HA 0.849 5.378 4.527 0.002 0.000 0.324 124 F C -0.536 174.980 175.800 -0.474 0.000 1.077 124 F CA -1.186 56.626 58.000 -0.314 0.000 0.944 124 F CB 1.936 40.888 39.000 -0.081 0.000 1.175 124 F HN 0.415 nan 8.300 nan 0.000 0.468 125 V N 1.093 121.015 119.914 0.015 0.000 3.204 125 V HA 0.373 4.494 4.120 0.002 0.000 0.298 125 V C -1.335 174.816 176.094 0.095 0.000 1.328 125 V CA -0.748 61.572 62.300 0.034 0.000 1.035 125 V CB 2.453 34.339 31.823 0.105 0.000 1.095 125 V HN 0.786 nan 8.190 nan 0.000 0.442 126 E N 2.485 122.751 120.200 0.109 0.000 2.259 126 E HA 0.575 4.926 4.350 0.002 0.000 0.281 126 E C 0.052 176.710 176.600 0.097 0.000 1.037 126 E CA 0.584 57.042 56.400 0.097 0.000 0.854 126 E CB 1.294 31.061 29.700 0.110 0.000 1.051 126 E HN 1.404 nan 8.360 nan 0.000 0.409 127 G N 1.533 110.387 108.800 0.090 0.000 2.906 127 G HA2 -0.101 3.860 3.960 0.002 0.000 0.686 127 G HA3 -0.101 3.860 3.960 0.002 0.000 0.686 127 G C 0.521 175.478 174.900 0.095 0.000 1.170 127 G CA -0.588 44.566 45.100 0.090 0.000 0.775 127 G HN 0.631 nan 8.290 nan 0.000 0.630 128 G N 0.585 109.452 108.800 0.111 0.000 2.394 128 G HA2 0.318 4.279 3.960 0.002 0.000 0.215 128 G HA3 0.318 4.279 3.960 0.002 0.000 0.215 128 G C 2.084 177.052 174.900 0.113 0.000 1.165 128 G CA 2.371 47.545 45.100 0.123 0.000 0.784 128 G HN 1.989 nan 8.290 nan 0.000 0.535 129 A N 0.375 123.264 122.820 0.115 0.000 1.902 129 A HA 0.063 4.384 4.320 0.002 0.000 0.217 129 A C 2.315 179.947 177.584 0.081 0.000 1.181 129 A CA 1.358 53.453 52.037 0.096 0.000 0.623 129 A CB -0.390 18.656 19.000 0.076 0.000 0.818 129 A HN 0.306 nan 8.150 nan 0.000 0.443 130 L N -0.568 120.702 121.223 0.079 0.000 2.141 130 L HA -0.025 4.316 4.340 0.002 0.000 0.209 130 L C 2.887 179.803 176.870 0.078 0.000 1.094 130 L CA 1.555 56.445 54.840 0.084 0.000 0.763 130 L CB -0.925 41.191 42.059 0.095 0.000 0.908 130 L HN 0.398 nan 8.230 nan 0.000 0.437 131 A N -1.000 121.848 122.820 0.048 0.000 1.865 131 A HA -0.194 4.127 4.320 0.002 0.000 0.217 131 A C 2.342 179.910 177.584 -0.028 0.000 1.191 131 A CA 2.205 54.230 52.037 -0.019 0.000 0.623 131 A CB -1.011 17.926 19.000 -0.106 0.000 0.826 131 A HN 0.208 nan 8.150 nan 0.000 0.444 132 V N 0.200 120.113 119.914 -0.001 0.000 2.343 132 V HA -0.262 3.859 4.120 0.002 0.000 0.247 132 V C 2.420 178.489 176.094 -0.042 0.000 1.051 132 V CA 2.188 64.468 62.300 -0.033 0.000 1.036 132 V CB -0.910 30.917 31.823 0.007 0.000 0.654 132 V HN 0.609 nan 8.190 nan 0.000 0.451 133 E N 0.224 120.448 120.200 0.039 0.000 2.085 133 E HA -0.229 4.123 4.350 0.002 0.000 0.194 133 E C 2.079 178.697 176.600 0.031 0.000 0.994 133 E CA 1.332 57.796 56.400 0.107 0.000 0.801 133 E CB -0.272 29.538 29.700 0.183 0.000 0.743 133 E HN 0.618 nan 8.360 nan 0.000 0.453 134 N N 0.457 119.155 118.700 -0.004 0.000 2.244 134 N HA -0.097 4.644 4.740 0.002 0.000 0.183 134 N C 1.796 177.215 175.510 -0.151 0.000 1.016 134 N CA 0.916 53.913 53.050 -0.088 0.000 0.866 134 N CB -0.022 38.422 38.487 -0.072 0.000 0.980 134 N HN 0.090 nan 8.380 nan 0.000 0.430 135 A N 1.638 124.378 122.820 -0.133 0.000 1.902 135 A HA -0.075 4.247 4.320 0.002 0.000 0.217 135 A C 2.366 179.758 177.584 -0.319 0.000 1.181 135 A CA 0.880 52.808 52.037 -0.182 0.000 0.623 135 A CB -0.652 18.232 19.000 -0.193 0.000 0.818 135 A HN 0.167 nan 8.150 nan 0.000 0.443 136 L N -0.863 120.127 121.223 -0.388 0.000 2.017 136 L HA -0.209 4.132 4.340 0.002 0.000 0.208 136 L C 2.596 178.947 176.870 -0.865 0.000 1.073 136 L CA 1.841 56.231 54.840 -0.751 0.000 0.745 136 L CB -0.553 41.086 42.059 -0.700 0.000 0.894 136 L HN 0.345 nan 8.230 nan 0.000 0.432 137 K N 0.262 120.451 120.400 -0.352 0.000 2.063 137 K HA -0.177 4.145 4.320 0.002 0.000 0.208 137 K C 2.252 178.738 176.600 -0.190 0.000 1.048 137 K CA 1.455 57.675 56.287 -0.112 0.000 0.928 137 K CB -0.340 32.154 32.500 -0.010 0.000 0.713 137 K HN 0.294 nan 8.250 nan 0.000 0.442 138 A N 1.447 124.106 122.820 -0.268 0.000 1.908 138 A HA -0.184 4.137 4.320 0.002 0.000 0.218 138 A C 2.356 179.861 177.584 -0.132 0.000 1.181 138 A CA 2.046 53.944 52.037 -0.232 0.000 0.627 138 A CB -0.732 18.182 19.000 -0.145 0.000 0.818 138 A HN 0.364 nan 8.150 nan 0.000 0.445 139 A N -1.090 121.567 122.820 -0.273 0.000 1.897 139 A HA 0.118 4.440 4.320 0.002 0.000 0.215 139 A C 1.893 179.425 177.584 -0.087 0.000 1.181 139 A CA 1.426 53.313 52.037 -0.251 0.000 0.620 139 A CB -0.698 18.018 19.000 -0.473 0.000 0.821 139 A HN 0.416 nan 8.150 nan 0.000 0.443 140 F N 0.456 120.339 119.950 -0.111 0.000 2.095 140 F HA -0.157 4.371 4.527 0.002 0.000 0.298 140 F C 2.069 177.853 175.800 -0.027 0.000 1.104 140 F CA 1.387 59.323 58.000 -0.106 0.000 1.232 140 F CB -1.127 37.768 39.000 -0.174 0.000 0.987 140 F HN 0.435 nan 8.300 nan 0.000 0.475 141 D N -1.308 119.189 120.400 0.160 0.000 2.117 141 D HA -0.276 4.365 4.640 0.002 0.000 0.197 141 D C 2.183 178.554 176.300 0.119 0.000 0.987 141 D CA 1.420 55.474 54.000 0.091 0.000 0.829 141 D CB -0.426 40.381 40.800 0.013 0.000 0.961 141 D HN 0.307 nan 8.370 nan 0.000 0.460 142 W N 1.007 122.286 121.300 -0.035 0.000 2.355 142 W HA -0.169 4.493 4.660 0.002 0.000 0.309 142 W C 2.253 178.790 176.519 0.029 0.000 1.206 142 W CA 1.599 58.936 57.345 -0.013 0.000 1.284 142 W CB -0.201 29.231 29.460 -0.047 0.000 1.145 142 W HN -0.148 nan 8.180 nan 0.000 0.502 143 K N 0.338 120.941 120.400 0.338 0.000 2.057 143 K HA -0.174 4.147 4.320 0.002 0.000 0.207 143 K C 2.349 178.974 176.600 0.042 0.000 1.049 143 K CA 2.063 58.465 56.287 0.193 0.000 0.931 143 K CB -0.998 31.657 32.500 0.259 0.000 0.714 143 K HN 0.096 nan 8.250 nan 0.000 0.440 144 S N -0.004 115.728 115.700 0.054 0.000 2.359 144 S HA -0.133 4.339 4.470 0.002 0.000 0.224 144 S C 1.977 176.554 174.600 -0.039 0.000 1.035 144 S CA 1.366 59.575 58.200 0.014 0.000 1.018 144 S CB -0.177 63.036 63.200 0.021 0.000 0.876 144 S HN 0.386 nan 8.310 nan 0.000 0.448 145 R N -0.499 119.956 120.500 -0.075 0.000 2.090 145 R HA -0.025 4.316 4.340 0.002 0.000 0.228 145 R C 2.528 178.725 176.300 -0.171 0.000 1.110 145 R CA 1.292 57.321 56.100 -0.119 0.000 0.973 145 R CB -0.621 29.604 30.300 -0.124 0.000 0.869 145 R HN 0.592 nan 8.270 nan 0.000 0.440 146 H N 1.239 120.066 119.070 -0.405 0.000 2.293 146 H HA -0.072 4.486 4.556 0.002 0.000 0.300 146 H C 1.451 176.686 175.328 -0.155 0.000 1.082 146 H CA 1.547 57.334 56.048 -0.435 0.000 1.308 146 H CB 0.183 29.372 29.762 -0.955 0.000 1.375 146 H HN 0.101 nan 8.280 nan 0.000 0.495 147 N N 1.033 119.699 118.700 -0.056 0.000 2.021 147 N HA -0.223 4.518 4.740 0.002 0.000 0.198 147 N C 2.127 177.588 175.510 -0.082 0.000 1.041 147 N CA 1.540 54.550 53.050 -0.066 0.000 0.862 147 N CB -0.806 37.665 38.487 -0.027 0.000 1.048 147 N HN 0.545 nan 8.380 nan 0.000 0.427 148 Q N 0.113 119.865 119.800 -0.080 0.000 2.152 148 Q HA -0.106 4.236 4.340 0.002 0.000 0.206 148 Q C 1.720 177.652 176.000 -0.114 0.000 0.985 148 Q CA 1.870 57.622 55.803 -0.084 0.000 0.863 148 Q CB -0.135 28.557 28.738 -0.076 0.000 0.904 148 Q HN 0.429 nan 8.270 nan 0.000 0.422 149 A N -0.334 122.397 122.820 -0.149 0.000 2.066 149 A HA -0.125 4.196 4.320 0.002 0.000 0.218 149 A C 1.016 178.369 177.584 -0.385 0.000 1.157 149 A CA 1.015 52.901 52.037 -0.252 0.000 0.670 149 A CB -0.351 18.468 19.000 -0.301 0.000 0.804 149 A HN 0.521 nan 8.150 nan 0.000 0.453 150 H N -1.468 117.439 119.070 -0.272 0.000 2.488 150 H HA 0.305 4.862 4.556 0.002 0.000 0.294 150 H C 1.400 176.621 175.328 -0.178 0.000 1.088 150 H CA 0.255 56.163 56.048 -0.234 0.000 1.086 150 H CB 0.078 29.666 29.762 -0.291 0.000 1.569 150 H HN 0.599 nan 8.280 nan 0.000 0.548 151 G N 1.689 110.440 108.800 -0.081 0.000 2.162 151 G HA2 -0.290 3.671 3.960 0.002 0.000 0.260 151 G HA3 -0.290 3.671 3.960 0.002 0.000 0.260 151 G C 0.230 175.085 174.900 -0.075 0.000 0.976 151 G CA 0.148 45.204 45.100 -0.073 0.000 0.655 151 G HN 0.357 nan 8.290 nan 0.000 0.533 152 I N 0.772 121.282 120.570 -0.101 0.000 2.499 152 I HA 0.270 4.441 4.170 0.002 0.000 0.296 152 I C 0.575 176.653 176.117 -0.065 0.000 0.992 152 I CA -0.877 60.350 61.300 -0.123 0.000 1.297 152 I CB 0.986 38.827 38.000 -0.264 0.000 1.410 152 I HN 0.043 nan 8.210 nan 0.000 0.507 153 D N 8.039 128.420 120.400 -0.031 0.000 2.520 153 D HA -0.020 4.621 4.640 0.002 0.000 0.243 153 D C -1.508 174.788 176.300 -0.006 0.000 1.160 153 D CA -1.482 52.512 54.000 -0.010 0.000 0.877 153 D CB 0.939 41.747 40.800 0.013 0.000 1.150 153 D HN 0.242 nan 8.370 nan 0.000 0.494 154 P HA -0.010 nan 4.420 nan 0.000 0.242 154 P C 0.632 177.932 177.300 0.000 0.000 1.197 154 P CA 0.317 63.410 63.100 -0.011 0.000 0.765 154 P CB 0.178 31.864 31.700 -0.023 0.000 0.936 155 A N -0.371 122.453 122.820 0.006 0.000 2.167 155 A HA 0.073 4.395 4.320 0.002 0.000 0.214 155 A C 1.235 178.830 177.584 0.018 0.000 1.151 155 A CA 0.350 52.392 52.037 0.009 0.000 0.735 155 A CB -0.751 18.256 19.000 0.012 0.000 0.802 155 A HN 0.185 nan 8.150 nan 0.000 0.467 156 L N -0.897 120.347 121.223 0.034 0.000 2.357 156 L HA 0.579 4.920 4.340 0.002 0.000 0.273 156 L C 0.926 177.835 176.870 0.065 0.000 1.080 156 L CA 0.336 55.212 54.840 0.060 0.000 0.803 156 L CB 1.318 43.437 42.059 0.101 0.000 1.174 156 L HN 0.364 nan 8.230 nan 0.000 0.443 157 G N 0.475 109.316 108.800 0.069 0.000 2.610 157 G HA2 -0.150 3.811 3.960 0.002 0.000 0.136 157 G HA3 -0.150 3.811 3.960 0.002 0.000 0.136 157 G C 0.151 175.088 174.900 0.062 0.000 1.070 157 G CA -0.046 45.110 45.100 0.093 0.000 0.812 157 G HN 0.750 nan 8.290 nan 0.000 0.495 158 T N -3.306 111.229 114.554 -0.031 0.000 3.043 158 T HA 0.463 4.814 4.350 0.002 0.000 0.272 158 T C 0.508 175.038 174.700 -0.284 0.000 0.990 158 T CA 0.175 62.127 62.100 -0.246 0.000 0.897 158 T CB 0.538 69.282 68.868 -0.206 0.000 1.111 158 T HN 0.496 nan 8.240 nan 0.000 0.529 159 Q N 0.669 120.333 119.800 -0.227 0.000 2.297 159 Q HA 0.724 5.065 4.340 0.002 0.000 0.268 159 Q C -1.433 174.153 176.000 -0.689 0.000 1.045 159 Q CA -1.126 54.323 55.803 -0.590 0.000 0.861 159 Q CB 3.027 31.666 28.738 -0.166 0.000 1.344 159 Q HN 0.126 nan 8.270 nan 0.000 0.452 160 V N 2.310 121.603 119.914 -1.035 0.000 2.443 160 V HA 0.227 4.348 4.120 0.002 0.000 0.293 160 V C -0.739 175.270 176.094 -0.142 0.000 1.021 160 V CA -0.745 61.178 62.300 -0.628 0.000 0.848 160 V CB 1.444 32.740 31.823 -0.879 0.000 0.998 160 V HN 0.579 nan 8.190 nan 0.000 0.424 161 L N 6.611 127.786 121.223 -0.079 0.000 2.367 161 L HA 0.585 4.927 4.340 0.002 0.000 0.275 161 L C -0.014 177.042 176.870 0.311 0.000 1.129 161 L CA 0.837 55.728 54.840 0.084 0.000 0.839 161 L CB 0.017 42.035 42.059 -0.068 0.000 1.133 161 L HN 0.943 nan 8.230 nan 0.000 0.453 162 H N 2.341 121.524 119.070 0.189 0.000 2.933 162 H HA 0.668 5.226 4.556 0.003 0.000 0.310 162 H C -1.481 174.022 175.328 0.291 0.000 1.351 162 H CA -1.347 54.811 56.048 0.184 0.000 1.137 162 H CB 0.677 30.518 29.762 0.131 0.000 1.853 162 H HN 0.459 nan 8.280 nan 0.000 0.539 163 L N 1.285 122.686 121.223 0.297 0.000 2.344 163 L HA 0.510 4.851 4.340 0.002 0.000 0.272 163 L C 0.411 177.408 176.870 0.212 0.000 1.035 163 L CA -1.115 53.877 54.840 0.253 0.000 0.807 163 L CB 1.520 43.786 42.059 0.345 0.000 1.237 163 L HN 0.519 nan 8.230 nan 0.000 0.442 164 R N 0.952 121.553 120.500 0.168 0.000 2.623 164 R HA 0.197 4.538 4.340 0.002 0.000 0.271 164 R C 0.971 177.406 176.300 0.226 0.000 1.043 164 R CA 0.772 56.978 56.100 0.177 0.000 1.083 164 R CB 0.175 30.565 30.300 0.149 0.000 0.974 164 R HN 0.986 nan 8.270 nan 0.000 0.436 165 G N 0.587 109.504 108.800 0.195 0.000 2.179 165 G HA2 -0.330 3.632 3.960 0.002 0.000 0.260 165 G HA3 -0.330 3.632 3.960 0.002 0.000 0.260 165 G C 0.260 175.266 174.900 0.177 0.000 0.977 165 G CA 0.153 45.357 45.100 0.173 0.000 0.641 165 G HN 0.884 nan 8.290 nan 0.000 0.533 166 A N -0.436 122.501 122.820 0.195 0.000 2.445 166 A HA 0.666 4.987 4.320 0.002 0.000 0.242 166 A C -0.399 177.204 177.584 0.031 0.000 1.075 166 A CA 0.341 52.435 52.037 0.096 0.000 0.777 166 A CB 0.508 19.613 19.000 0.174 0.000 1.013 166 A HN 1.382 nan 8.150 nan 0.000 0.493 167 F N 1.919 121.704 119.950 -0.275 0.000 2.539 167 F HA 0.494 5.022 4.527 0.002 0.000 0.328 167 F C 0.284 175.867 175.800 -0.362 0.000 1.148 167 F CA -0.474 57.410 58.000 -0.193 0.000 0.940 167 F CB 1.408 40.368 39.000 -0.065 0.000 1.194 167 F HN 0.685 nan 8.300 nan 0.000 0.438 168 H N 3.783 122.728 119.070 -0.208 0.000 3.233 168 H HA 0.475 5.032 4.556 0.002 0.000 0.263 168 H C 0.766 176.012 175.328 -0.137 0.000 1.168 168 H CA 0.386 56.402 56.048 -0.053 0.000 1.159 168 H CB 0.843 30.586 29.762 -0.032 0.000 1.593 168 H HN 0.809 nan 8.280 nan 0.000 0.580 169 G N 0.890 109.417 108.800 -0.455 0.000 2.353 169 G HA2 -0.091 3.871 3.960 0.002 0.000 0.615 169 G HA3 -0.091 3.871 3.960 0.002 0.000 0.615 169 G C -0.526 174.203 174.900 -0.284 0.000 1.280 169 G CA -1.024 43.938 45.100 -0.231 0.000 1.000 169 G HN 0.194 nan 8.290 nan 0.000 0.516 170 R N 0.083 120.532 120.500 -0.086 0.000 2.700 170 R HA 0.430 4.771 4.340 0.002 0.000 0.399 170 R C 0.869 177.119 176.300 -0.084 0.000 1.115 170 R CA 0.371 56.424 56.100 -0.078 0.000 1.058 170 R CB 0.782 31.078 30.300 -0.007 0.000 1.389 170 R HN 0.763 nan 8.270 nan 0.000 0.582 171 S N -2.005 113.666 115.700 -0.048 0.000 2.745 171 S HA 0.424 4.896 4.470 0.002 0.000 0.292 171 S C 1.463 176.039 174.600 -0.039 0.000 1.133 171 S CA -0.347 57.824 58.200 -0.048 0.000 0.998 171 S CB 1.603 64.800 63.200 -0.005 0.000 1.087 171 S HN 0.149 nan 8.310 nan 0.000 0.551 172 G N 0.037 108.792 108.800 -0.075 0.000 2.476 172 G HA2 -0.199 3.762 3.960 0.002 0.000 0.218 172 G HA3 -0.199 3.762 3.960 0.002 0.000 0.218 172 G C 0.933 175.887 174.900 0.089 0.000 1.164 172 G CA 1.045 46.100 45.100 -0.075 0.000 0.768 172 G HN 0.717 nan 8.290 nan 0.000 0.560 173 Y N 1.340 121.737 120.300 0.161 0.000 2.365 173 Y HA 0.010 4.562 4.550 0.003 0.000 0.293 173 Y C 3.256 179.280 175.900 0.207 0.000 1.119 173 Y CA 1.123 59.380 58.100 0.261 0.000 1.203 173 Y CB -0.840 37.811 38.460 0.318 0.000 1.026 173 Y HN 0.327 nan 8.280 nan 0.000 0.549 174 T N -2.846 111.859 114.554 0.250 0.000 3.023 174 T HA -0.050 4.301 4.350 0.002 0.000 0.266 174 T C 1.767 176.502 174.700 0.058 0.000 1.093 174 T CA 0.483 62.666 62.100 0.138 0.000 1.129 174 T CB -0.403 68.508 68.868 0.072 0.000 0.899 174 T HN 0.009 nan 8.240 nan 0.000 0.491 175 L N 1.786 123.038 121.223 0.048 0.000 2.362 175 L HA 0.188 4.529 4.340 0.002 0.000 0.219 175 L C 2.432 179.336 176.870 0.056 0.000 1.134 175 L CA 0.934 55.792 54.840 0.030 0.000 0.807 175 L CB -1.287 40.787 42.059 0.025 0.000 0.927 175 L HN 0.315 nan 8.230 nan 0.000 0.447 176 S N -1.168 114.577 115.700 0.074 0.000 2.562 176 S HA 0.142 4.614 4.470 0.002 0.000 0.221 176 S C 1.749 176.373 174.600 0.039 0.000 0.975 176 S CA 0.296 58.514 58.200 0.030 0.000 0.918 176 S CB 0.335 63.448 63.200 -0.145 0.000 0.772 176 S HN 0.340 nan 8.310 nan 0.000 0.531 177 L N -0.194 121.042 121.223 0.023 0.000 2.515 177 L HA 0.169 4.511 4.340 0.002 0.000 0.202 177 L C 0.583 177.525 176.870 0.121 0.000 1.056 177 L CA 0.262 55.031 54.840 -0.119 0.000 0.847 177 L CB -0.768 41.281 42.059 -0.017 0.000 1.131 177 L HN 0.007 nan 8.230 nan 0.000 0.484 178 T N 3.831 118.413 114.554 0.048 0.000 2.871 178 T HA 0.053 4.404 4.350 0.002 0.000 0.296 178 T C 0.160 174.902 174.700 0.071 0.000 0.998 178 T CA 0.244 62.317 62.100 -0.045 0.000 1.162 178 T CB -0.279 68.399 68.868 -0.316 0.000 0.947 178 T HN 0.392 nan 8.240 nan 0.000 0.536 179 N N 1.867 120.642 118.700 0.125 0.000 2.751 179 N HA 0.101 4.843 4.740 0.002 0.000 0.234 179 N C 0.080 175.680 175.510 0.150 0.000 1.403 179 N CA -0.574 52.564 53.050 0.146 0.000 0.747 179 N CB 0.981 39.575 38.487 0.177 0.000 1.326 179 N HN 0.595 nan 8.380 nan 0.000 0.532 180 T N -1.044 113.605 114.554 0.159 0.000 3.330 180 T HA 0.311 4.662 4.350 0.002 0.000 0.185 180 T C 0.321 175.091 174.700 0.116 0.000 0.874 180 T CA 0.235 62.426 62.100 0.151 0.000 1.268 180 T CB 0.425 69.416 68.868 0.204 0.000 1.866 180 T HN 0.102 nan 8.240 nan 0.000 0.395 181 K N 2.426 122.899 120.400 0.122 0.000 2.205 181 K HA 0.361 4.682 4.320 0.002 0.000 0.279 181 K C -2.029 174.624 176.600 0.088 0.000 1.027 181 K CA -2.144 54.197 56.287 0.090 0.000 0.932 181 K CB 1.481 34.031 32.500 0.083 0.000 1.032 181 K HN 0.122 nan 8.250 nan 0.000 0.466 182 P HA -0.161 nan 4.420 nan 0.000 0.217 182 P C 0.866 178.185 177.300 0.032 0.000 1.148 182 P CA 1.244 64.368 63.100 0.040 0.000 0.828 182 P CB 0.229 31.940 31.700 0.019 0.000 0.783 183 T N -0.538 114.040 114.554 0.041 0.000 2.778 183 T HA -0.165 4.187 4.350 0.002 0.000 0.269 183 T C 1.653 176.413 174.700 0.100 0.000 1.050 183 T CA 1.132 63.259 62.100 0.046 0.000 1.137 183 T CB -0.835 68.065 68.868 0.053 0.000 0.860 183 T HN 0.144 nan 8.240 nan 0.000 0.468 184 I N 1.195 121.849 120.570 0.139 0.000 2.439 184 I HA -0.103 4.068 4.170 0.002 0.000 0.251 184 I C 2.526 178.814 176.117 0.286 0.000 1.139 184 I CA 1.413 62.838 61.300 0.208 0.000 1.438 184 I CB -0.242 37.885 38.000 0.211 0.000 1.085 184 I HN 0.382 nan 8.210 nan 0.000 0.427 185 T N -2.380 112.291 114.554 0.194 0.000 2.975 185 T HA 0.426 4.778 4.350 0.002 0.000 0.257 185 T C 0.826 175.532 174.700 0.009 0.000 1.003 185 T CA -0.052 62.186 62.100 0.231 0.000 0.932 185 T CB -0.037 68.915 68.868 0.139 0.000 1.087 185 T HN 0.125 nan 8.240 nan 0.000 0.512 186 A N 2.317 125.042 122.820 -0.159 0.000 2.540 186 A HA 0.479 4.800 4.320 0.002 0.000 0.239 186 A C 1.029 178.238 177.584 -0.625 0.000 1.061 186 A CA 0.058 51.926 52.037 -0.282 0.000 0.758 186 A CB -0.419 18.462 19.000 -0.198 0.000 0.991 186 A HN 0.583 nan 8.150 nan 0.000 0.502 187 R N -0.942 119.312 120.500 -0.410 0.000 3.954 187 R HA -0.174 4.168 4.340 0.002 0.000 0.422 187 R C -1.236 174.834 176.300 -0.383 0.000 1.091 187 R CA 1.256 57.116 56.100 -0.401 0.000 1.168 187 R CB -2.418 27.630 30.300 -0.420 0.000 1.752 187 R HN 0.509 nan 8.270 nan 0.000 0.547 188 F N 2.398 122.323 119.950 -0.041 0.000 2.420 188 F HA 0.424 4.952 4.527 0.002 0.000 0.342 188 F C -1.442 174.305 175.800 -0.088 0.000 1.113 188 F CA -3.212 54.754 58.000 -0.057 0.000 1.059 188 F CB 0.303 39.276 39.000 -0.045 0.000 1.128 188 F HN -0.234 nan 8.300 nan 0.000 0.475 189 P HA 0.184 nan 4.420 nan 0.000 0.268 189 P C -1.004 176.206 177.300 -0.149 0.000 1.205 189 P CA -0.190 62.864 63.100 -0.077 0.000 0.771 189 P CB 0.935 32.557 31.700 -0.130 0.000 0.858 190 K N 1.447 121.706 120.400 -0.234 0.000 2.477 190 K HA 0.497 4.819 4.320 0.002 0.000 0.255 190 K C -0.532 175.782 176.600 -0.476 0.000 0.952 190 K CA -0.689 55.429 56.287 -0.281 0.000 0.826 190 K CB 1.444 33.872 32.500 -0.121 0.000 1.331 190 K HN 0.215 nan 8.250 nan 0.000 0.437 191 F N 0.810 120.453 119.950 -0.513 0.000 2.382 191 F HA 0.090 4.618 4.527 0.002 0.000 0.331 191 F C 0.863 176.329 175.800 -0.556 0.000 1.121 191 F CA -0.257 57.319 58.000 -0.706 0.000 1.183 191 F CB 0.631 38.690 39.000 -1.568 0.000 1.207 191 F HN 0.473 nan 8.300 nan 0.000 0.555 192 D N 2.479 122.795 120.400 -0.139 0.000 2.494 192 D HA 0.106 4.747 4.640 0.002 0.000 0.217 192 D C -1.267 175.148 176.300 0.193 0.000 1.153 192 D CA -0.149 53.860 54.000 0.016 0.000 0.954 192 D CB -0.039 40.786 40.800 0.042 0.000 1.034 192 D HN 0.146 nan 8.370 nan 0.000 0.518 193 W N 3.865 125.277 121.300 0.187 0.000 2.578 193 W HA 0.401 5.062 4.660 0.002 0.000 0.346 193 W C -2.078 174.557 176.519 0.194 0.000 1.075 193 W CA -3.043 54.408 57.345 0.178 0.000 1.233 193 W CB 0.689 30.257 29.460 0.180 0.000 1.358 193 W HN 0.246 nan 8.180 nan 0.000 0.574 194 P HA 0.217 nan 4.420 nan 0.000 0.276 194 P C -0.545 176.729 177.300 -0.043 0.000 1.235 194 P CA -0.191 62.967 63.100 0.096 0.000 0.772 194 P CB 1.251 32.934 31.700 -0.029 0.000 0.871 195 R N 3.753 124.168 120.500 -0.142 0.000 2.534 195 R HA 0.638 4.979 4.340 0.002 0.000 0.301 195 R C -0.183 176.035 176.300 -0.137 0.000 0.961 195 R CA -0.885 54.998 56.100 -0.361 0.000 0.871 195 R CB 0.886 31.017 30.300 -0.281 0.000 1.170 195 R HN 0.563 nan 8.270 nan 0.000 0.446 196 I N -0.460 120.058 120.570 -0.086 0.000 2.797 196 I HA 0.515 4.686 4.170 0.002 0.000 0.307 196 I C -0.682 175.457 176.117 0.037 0.000 1.033 196 I CA -1.217 60.078 61.300 -0.008 0.000 1.071 196 I CB 1.902 39.908 38.000 0.010 0.000 1.255 196 I HN 0.398 nan 8.210 nan 0.000 0.445 197 D N 2.985 123.403 120.400 0.030 0.000 2.449 197 D HA 0.293 4.934 4.640 0.002 0.000 0.236 197 D C -0.085 176.244 176.300 0.048 0.000 1.149 197 D CA 0.377 54.402 54.000 0.041 0.000 0.878 197 D CB 1.264 42.066 40.800 0.003 0.000 1.198 197 D HN 0.764 nan 8.370 nan 0.000 0.446 198 A N 2.991 125.885 122.820 0.122 0.000 2.253 198 A HA 0.413 4.734 4.320 0.002 0.000 0.316 198 A C -2.108 175.564 177.584 0.146 0.000 1.327 198 A CA -1.295 50.879 52.037 0.229 0.000 0.917 198 A CB 0.721 20.041 19.000 0.533 0.000 1.162 198 A HN 0.278 nan 8.150 nan 0.000 0.535 199 P HA 0.169 nan 4.420 nan 0.000 0.214 199 P C -0.794 176.478 177.300 -0.046 0.000 1.826 199 P CA -0.096 62.865 63.100 -0.232 0.000 0.977 199 P CB -0.967 30.459 31.700 -0.456 0.000 1.930 200 Y N -0.990 119.338 120.300 0.047 0.000 2.314 200 Y HA 0.407 4.959 4.550 0.003 0.000 0.334 200 Y C 0.862 176.705 175.900 -0.095 0.000 1.266 200 Y CA -1.572 56.407 58.100 -0.201 0.000 1.391 200 Y CB 0.038 38.228 38.460 -0.449 0.000 1.306 200 Y HN -0.108 nan 8.280 nan 0.000 0.558 201 M N 4.738 124.389 119.600 0.085 0.000 2.248 201 M HA 0.202 4.683 4.480 0.002 0.000 0.345 201 M C -0.003 176.378 176.300 0.136 0.000 1.243 201 M CA 0.705 56.046 55.300 0.069 0.000 1.090 201 M CB 0.358 33.001 32.600 0.070 0.000 1.683 201 M HN 0.855 nan 8.290 nan 0.000 0.450 202 R N 2.821 123.353 120.500 0.053 0.000 2.836 202 R HA 0.766 5.107 4.340 0.002 0.000 0.269 202 R C -3.153 173.172 176.300 0.042 0.000 1.010 202 R CA -2.057 54.092 56.100 0.080 0.000 0.930 202 R CB 0.277 30.616 30.300 0.064 0.000 1.218 202 R HN 0.259 nan 8.270 nan 0.000 0.473 203 P HA 0.150 nan 4.420 nan 0.000 0.271 203 P C 0.281 177.593 177.300 0.020 0.000 1.218 203 P CA 0.650 63.769 63.100 0.031 0.000 0.780 203 P CB 0.623 32.346 31.700 0.038 0.000 0.901 204 G N 0.726 109.534 108.800 0.013 0.000 2.198 204 G HA2 -0.190 3.771 3.960 0.002 0.000 0.257 204 G HA3 -0.190 3.771 3.960 0.002 0.000 0.257 204 G C -0.588 174.314 174.900 0.002 0.000 1.042 204 G CA -0.385 44.720 45.100 0.008 0.000 0.791 204 G HN 0.441 nan 8.290 nan 0.000 0.502 205 L N 1.640 122.862 121.223 -0.001 0.000 2.376 205 L HA 0.544 4.885 4.340 0.002 0.000 0.275 205 L C 0.198 177.067 176.870 -0.001 0.000 0.987 205 L CA -0.950 53.886 54.840 -0.007 0.000 0.828 205 L CB 1.704 43.751 42.059 -0.020 0.000 1.249 205 L HN 0.371 nan 8.230 nan 0.000 0.409 206 D N 1.347 121.748 120.400 0.001 0.000 2.466 206 D HA 0.126 4.767 4.640 0.002 0.000 0.262 206 D C 0.750 177.055 176.300 0.008 0.000 1.177 206 D CA -0.481 53.522 54.000 0.006 0.000 1.035 206 D CB 0.885 41.688 40.800 0.006 0.000 1.105 206 D HN 0.429 nan 8.370 nan 0.000 0.551 207 E N -0.248 119.960 120.200 0.013 0.000 2.095 207 E HA -0.193 4.158 4.350 0.002 0.000 0.212 207 E C -0.985 175.624 176.600 0.015 0.000 1.044 207 E CA 2.556 58.967 56.400 0.019 0.000 0.857 207 E CB -1.217 28.496 29.700 0.021 0.000 0.764 207 E HN 0.432 nan 8.360 nan 0.000 0.462 208 P HA -0.184 nan 4.420 nan 0.000 0.215 208 P C 0.867 178.169 177.300 0.003 0.000 1.153 208 P CA 2.134 65.239 63.100 0.009 0.000 0.853 208 P CB -0.079 31.625 31.700 0.007 0.000 0.788 209 A N -1.238 121.581 122.820 -0.002 0.000 1.898 209 A HA -0.185 4.136 4.320 0.002 0.000 0.216 209 A C 2.141 179.714 177.584 -0.018 0.000 1.181 209 A CA 1.742 53.772 52.037 -0.011 0.000 0.620 209 A CB -1.358 17.634 19.000 -0.013 0.000 0.819 209 A HN 0.030 nan 8.150 nan 0.000 0.442 210 M N -0.241 119.353 119.600 -0.011 0.000 2.086 210 M HA -0.073 4.409 4.480 0.002 0.000 0.261 210 M C 2.527 178.824 176.300 -0.005 0.000 1.067 210 M CA 1.496 56.788 55.300 -0.014 0.000 1.116 210 M CB -1.629 30.975 32.600 0.008 0.000 1.348 210 M HN 0.469 nan 8.290 nan 0.000 0.407 211 A N -0.059 122.768 122.820 0.012 0.000 1.948 211 A HA -0.099 4.222 4.320 0.002 0.000 0.220 211 A C 2.384 179.975 177.584 0.012 0.000 1.177 211 A CA 2.434 54.484 52.037 0.022 0.000 0.636 211 A CB -1.000 18.015 19.000 0.025 0.000 0.815 211 A HN 0.512 nan 8.150 nan 0.000 0.449 212 A N -1.054 121.765 122.820 -0.001 0.000 1.930 212 A HA 0.063 4.385 4.320 0.002 0.000 0.217 212 A C 2.071 179.643 177.584 -0.020 0.000 1.175 212 A CA 1.567 53.600 52.037 -0.006 0.000 0.627 212 A CB -0.516 18.478 19.000 -0.009 0.000 0.815 212 A HN 0.462 nan 8.150 nan 0.000 0.443 213 L N 0.253 121.452 121.223 -0.040 0.000 2.017 213 L HA -0.174 4.167 4.340 0.002 0.000 0.208 213 L C 2.322 179.144 176.870 -0.080 0.000 1.073 213 L CA 2.328 57.124 54.840 -0.073 0.000 0.745 213 L CB -0.746 41.249 42.059 -0.108 0.000 0.894 213 L HN 0.527 nan 8.230 nan 0.000 0.432 214 E N -1.003 119.162 120.200 -0.059 0.000 2.077 214 E HA -0.221 4.131 4.350 0.002 0.000 0.193 214 E C 2.174 178.803 176.600 0.049 0.000 0.989 214 E CA 1.124 57.511 56.400 -0.021 0.000 0.800 214 E CB -0.325 29.417 29.700 0.071 0.000 0.746 214 E HN 0.582 nan 8.360 nan 0.000 0.452 215 A N 1.329 124.170 122.820 0.035 0.000 1.972 215 A HA -0.251 4.070 4.320 0.002 0.000 0.219 215 A C 2.085 179.685 177.584 0.027 0.000 1.169 215 A CA 1.772 53.832 52.037 0.038 0.000 0.635 215 A CB -0.354 18.661 19.000 0.025 0.000 0.810 215 A HN 0.153 nan 8.150 nan 0.000 0.446 216 E N 0.278 120.481 120.200 0.006 0.000 2.107 216 E HA 0.029 4.380 4.350 0.002 0.000 0.191 216 E C 1.946 178.548 176.600 0.004 0.000 0.982 216 E CA 1.444 57.843 56.400 -0.001 0.000 0.809 216 E CB -0.465 29.225 29.700 -0.017 0.000 0.756 216 E HN 0.436 nan 8.360 nan 0.000 0.459 217 A N 0.393 123.214 122.820 0.002 0.000 1.898 217 A HA -0.079 4.242 4.320 0.002 0.000 0.216 217 A C 2.020 179.652 177.584 0.080 0.000 1.181 217 A CA 1.191 53.242 52.037 0.024 0.000 0.620 217 A CB -0.602 18.373 19.000 -0.041 0.000 0.819 217 A HN 0.326 nan 8.150 nan 0.000 0.442 218 L N -0.128 121.164 121.223 0.114 0.000 2.083 218 L HA -0.105 4.237 4.340 0.002 0.000 0.209 218 L C 2.494 179.391 176.870 0.045 0.000 1.083 218 L CA 1.764 56.654 54.840 0.082 0.000 0.752 218 L CB -1.101 41.008 42.059 0.084 0.000 0.899 218 L HN 0.459 nan 8.230 nan 0.000 0.433 219 R N -0.585 119.937 120.500 0.037 0.000 2.073 219 R HA -0.184 4.158 4.340 0.002 0.000 0.234 219 R C 2.199 178.506 176.300 0.011 0.000 1.134 219 R CA 1.547 57.663 56.100 0.026 0.000 0.952 219 R CB -0.065 30.247 30.300 0.019 0.000 0.850 219 R HN 0.474 nan 8.270 nan 0.000 0.433 220 Q N -0.425 119.377 119.800 0.002 0.000 2.096 220 Q HA -0.164 4.177 4.340 0.002 0.000 0.204 220 Q C 2.095 178.065 176.000 -0.049 0.000 0.982 220 Q CA 1.867 57.658 55.803 -0.020 0.000 0.850 220 Q CB -0.155 28.573 28.738 -0.016 0.000 0.901 220 Q HN 0.410 nan 8.270 nan 0.000 0.422 221 A N 1.227 124.022 122.820 -0.042 0.000 1.877 221 A HA -0.229 4.092 4.320 0.002 0.000 0.216 221 A C 2.035 179.602 177.584 -0.028 0.000 1.186 221 A CA 1.622 53.604 52.037 -0.092 0.000 0.620 221 A CB -0.556 18.396 19.000 -0.080 0.000 0.822 221 A HN 0.269 nan 8.150 nan 0.000 0.443 222 R N -0.278 120.253 120.500 0.050 0.000 2.091 222 R HA -0.113 4.229 4.340 0.002 0.000 0.238 222 R C 2.219 178.508 176.300 -0.019 0.000 1.136 222 R CA 1.680 57.826 56.100 0.076 0.000 0.959 222 R CB -0.460 29.904 30.300 0.106 0.000 0.856 222 R HN 0.417 nan 8.270 nan 0.000 0.437 223 A N 0.564 123.367 122.820 -0.028 0.000 1.933 223 A HA -0.069 4.253 4.320 0.002 0.000 0.218 223 A C 2.373 179.899 177.584 -0.097 0.000 1.175 223 A CA 1.569 53.580 52.037 -0.044 0.000 0.628 223 A CB -0.819 18.165 19.000 -0.027 0.000 0.814 223 A HN 0.561 nan 8.150 nan 0.000 0.444 224 A N -0.940 121.787 122.820 -0.155 0.000 1.883 224 A HA -0.048 4.274 4.320 0.002 0.000 0.217 224 A C 1.937 179.338 177.584 -0.304 0.000 1.186 224 A CA 1.650 53.545 52.037 -0.237 0.000 0.624 224 A CB -0.777 18.024 19.000 -0.331 0.000 0.822 224 A HN 0.452 nan 8.150 nan 0.000 0.444 225 F N 0.105 119.817 119.950 -0.397 0.000 2.171 225 F HA -0.096 4.432 4.527 0.002 0.000 0.300 225 F C 2.458 177.935 175.800 -0.538 0.000 1.090 225 F CA 1.789 59.390 58.000 -0.664 0.000 1.293 225 F CB -0.376 37.716 39.000 -1.513 0.000 1.013 225 F HN 0.320 nan 8.300 nan 0.000 0.486 226 E N -0.909 119.169 120.200 -0.202 0.000 2.216 226 E HA -0.121 4.230 4.350 0.002 0.000 0.192 226 E C 2.008 178.582 176.600 -0.044 0.000 0.988 226 E CA 1.541 57.905 56.400 -0.060 0.000 0.834 226 E CB -0.182 29.530 29.700 0.021 0.000 0.772 226 E HN 0.409 nan 8.360 nan 0.000 0.479 227 T N -1.623 112.895 114.554 -0.060 0.000 3.100 227 T HA 0.123 4.475 4.350 0.002 0.000 0.253 227 T C 1.089 175.767 174.700 -0.036 0.000 1.118 227 T CA -0.096 61.981 62.100 -0.037 0.000 1.058 227 T CB 0.123 68.974 68.868 -0.030 0.000 0.953 227 T HN -0.081 nan 8.240 nan 0.000 0.515 228 R N 2.104 122.569 120.500 -0.057 0.000 2.835 228 R HA 0.303 4.644 4.340 0.002 0.000 0.290 228 R C -2.927 173.349 176.300 -0.041 0.000 1.410 228 R CA -1.714 54.364 56.100 -0.036 0.000 1.590 228 R CB 0.837 31.110 30.300 -0.045 0.000 1.288 228 R HN 0.326 nan 8.270 nan 0.000 0.637 229 P HA -0.048 nan 4.420 nan 0.000 0.268 229 P C -0.266 176.925 177.300 -0.182 0.000 1.204 229 P CA 0.454 63.424 63.100 -0.215 0.000 0.768 229 P CB 0.491 32.017 31.700 -0.289 0.000 0.842 230 H N -0.043 119.109 119.070 0.138 0.000 3.366 230 H HA -0.187 4.370 4.556 0.003 0.000 0.233 230 H C 0.535 175.925 175.328 0.103 0.000 1.102 230 H CA 1.390 57.513 56.048 0.124 0.000 1.184 230 H CB -2.079 27.738 29.762 0.092 0.000 1.216 230 H HN 0.467 nan 8.280 nan 0.000 0.317 231 D N 0.415 120.903 120.400 0.147 0.000 2.417 231 D HA 0.215 4.856 4.640 0.002 0.000 0.207 231 D C 0.803 177.136 176.300 0.054 0.000 1.075 231 D CA 0.034 54.091 54.000 0.095 0.000 0.851 231 D CB 0.469 41.306 40.800 0.062 0.000 0.976 231 D HN 0.382 nan 8.370 nan 0.000 0.505 232 I N 1.288 121.896 120.570 0.065 0.000 2.301 232 I HA 0.228 4.400 4.170 0.002 0.000 0.292 232 I C 1.290 177.468 176.117 0.102 0.000 1.046 232 I CA -0.444 60.859 61.300 0.004 0.000 1.282 232 I CB 1.772 39.681 38.000 -0.151 0.000 1.409 232 I HN -0.109 nan 8.210 nan 0.000 0.484 233 A N 6.142 128.977 122.820 0.025 0.000 2.021 233 A HA 0.075 4.396 4.320 0.002 0.000 0.216 233 A C 0.806 178.369 177.584 -0.035 0.000 1.163 233 A CA 0.771 52.838 52.037 0.051 0.000 0.676 233 A CB -0.182 18.845 19.000 0.045 0.000 0.818 233 A HN 0.849 nan 8.150 nan 0.000 0.453 234 C N -4.910 114.326 119.300 -0.106 0.000 3.312 234 C HA 0.708 5.169 4.460 0.002 0.000 0.332 234 C C -1.142 173.821 174.990 -0.045 0.000 1.340 234 C CA -1.442 57.499 59.018 -0.127 0.000 1.265 234 C CB 0.385 27.938 27.740 -0.313 0.000 1.563 234 C HN 0.511 nan 8.230 nan 0.000 0.471 235 F N 1.932 121.778 119.950 -0.172 0.000 2.458 235 F HA 0.800 5.329 4.527 0.003 0.000 0.336 235 F C -0.580 175.093 175.800 -0.212 0.000 1.114 235 F CA -1.044 56.866 58.000 -0.150 0.000 0.987 235 F CB 1.542 40.496 39.000 -0.076 0.000 1.130 235 F HN 0.694 nan 8.300 nan 0.000 0.458 236 V N 5.056 124.488 119.914 -0.803 0.000 2.555 236 V HA 0.941 5.062 4.120 0.002 0.000 0.302 236 V C -0.441 175.155 176.094 -0.829 0.000 1.038 236 V CA -0.599 61.244 62.300 -0.762 0.000 0.887 236 V CB 1.018 32.471 31.823 -0.617 0.000 0.991 236 V HN 1.091 nan 8.190 nan 0.000 0.434 237 A N 3.028 125.557 122.820 -0.485 0.000 2.574 237 A HA 0.757 5.078 4.320 0.002 0.000 0.297 237 A C -0.853 176.910 177.584 0.299 0.000 1.062 237 A CA -0.770 51.261 52.037 -0.011 0.000 0.686 237 A CB 1.298 20.334 19.000 0.061 0.000 1.285 237 A HN 0.819 nan 8.150 nan 0.000 0.403 238 E N 2.021 122.463 120.200 0.404 0.000 2.316 238 E HA 0.268 4.619 4.350 0.002 0.000 0.275 238 E C -1.756 175.049 176.600 0.342 0.000 1.029 238 E CA -1.552 55.046 56.400 0.330 0.000 0.871 238 E CB 0.935 30.800 29.700 0.275 0.000 1.022 238 E HN 0.364 nan 8.360 nan 0.000 0.418 239 P HA -0.078 nan 4.420 nan 0.000 0.218 239 P C -0.237 177.291 177.300 0.381 0.000 1.149 239 P CA 1.200 64.286 63.100 -0.024 0.000 0.817 239 P CB 0.342 31.818 31.700 -0.374 0.000 0.785 240 I N -1.119 119.579 120.570 0.213 0.000 2.534 240 I HA 0.203 4.374 4.170 0.002 0.000 0.288 240 I C -0.161 176.003 176.117 0.077 0.000 1.077 240 I CA -0.829 60.499 61.300 0.047 0.000 1.051 240 I CB 2.326 40.169 38.000 -0.262 0.000 1.234 240 I HN -0.319 nan 8.210 nan 0.000 0.425 241 Q N 3.503 123.350 119.800 0.078 0.000 2.293 241 Q HA 0.264 4.606 4.340 0.002 0.000 0.263 241 Q C 0.844 176.832 176.000 -0.020 0.000 1.002 241 Q CA 0.010 55.869 55.803 0.093 0.000 0.910 241 Q CB 1.816 30.631 28.738 0.129 0.000 1.185 241 Q HN 0.929 nan 8.270 nan 0.000 0.401 242 G N 2.319 111.120 108.800 0.003 0.000 2.695 242 G HA2 -0.146 3.815 3.960 0.002 0.000 0.219 242 G HA3 -0.146 3.815 3.960 0.002 0.000 0.219 242 G C 0.874 175.733 174.900 -0.070 0.000 1.295 242 G CA -0.009 45.068 45.100 -0.037 0.000 0.882 242 G HN 0.533 nan 8.290 nan 0.000 0.570 243 E N 1.066 121.201 120.200 -0.108 0.000 2.171 243 E HA -0.103 4.249 4.350 0.002 0.000 0.197 243 E C 2.540 179.098 176.600 -0.070 0.000 0.997 243 E CA 1.126 57.423 56.400 -0.172 0.000 0.810 243 E CB -0.761 28.673 29.700 -0.444 0.000 0.738 243 E HN 0.378 nan 8.360 nan 0.000 0.467 244 G N -0.058 108.737 108.800 -0.008 0.000 2.598 244 G HA2 0.095 4.057 3.960 0.002 0.000 0.215 244 G HA3 0.095 4.057 3.960 0.002 0.000 0.215 244 G C 0.937 175.796 174.900 -0.070 0.000 1.131 244 G CA 0.582 45.684 45.100 0.002 0.000 0.785 244 G HN 0.429 nan 8.290 nan 0.000 0.539 245 G N -0.008 108.735 108.800 -0.096 0.000 2.223 245 G HA2 0.026 3.987 3.960 0.002 0.000 0.200 245 G HA3 0.026 3.987 3.960 0.002 0.000 0.200 245 G C -0.224 174.598 174.900 -0.130 0.000 1.061 245 G CA -0.051 44.975 45.100 -0.123 0.000 0.790 245 G HN 0.207 nan 8.290 nan 0.000 0.498 246 D N -0.545 119.792 120.400 -0.105 0.000 2.735 246 D HA -0.159 4.483 4.640 0.002 0.000 0.235 246 D C 0.757 176.998 176.300 -0.097 0.000 1.175 246 D CA 1.319 55.270 54.000 -0.081 0.000 0.683 246 D CB -0.455 40.364 40.800 0.030 0.000 1.008 246 D HN 0.831 nan 8.370 nan 0.000 0.416 247 R N 1.263 121.610 120.500 -0.255 0.000 2.229 247 R HA 0.430 4.771 4.340 0.002 0.000 0.328 247 R C 0.280 176.284 176.300 -0.492 0.000 1.009 247 R CA -0.423 55.434 56.100 -0.404 0.000 0.864 247 R CB 1.232 31.099 30.300 -0.721 0.000 1.085 247 R HN 0.310 nan 8.270 nan 0.000 0.453 248 H N 2.507 121.349 119.070 -0.380 0.000 2.502 248 H HA 0.353 4.910 4.556 0.002 0.000 0.338 248 H C -0.616 174.484 175.328 -0.380 0.000 1.155 248 H CA -0.401 55.498 56.048 -0.250 0.000 1.237 248 H CB 1.473 31.211 29.762 -0.039 0.000 1.534 248 H HN 0.305 nan 8.280 nan 0.000 0.523 249 F N 0.369 120.508 119.950 0.315 0.000 2.563 249 F HA 0.372 4.900 4.527 0.002 0.000 0.316 249 F C 0.707 176.637 175.800 0.218 0.000 1.076 249 F CA -1.006 57.114 58.000 0.199 0.000 0.921 249 F CB 1.303 40.371 39.000 0.112 0.000 1.209 249 F HN 0.239 nan 8.300 nan 0.000 0.462 250 R N 2.249 122.956 120.500 0.344 0.000 2.594 250 R HA 0.154 4.495 4.340 0.002 0.000 0.272 250 R C -1.784 174.708 176.300 0.320 0.000 1.074 250 R CA -1.282 54.981 56.100 0.272 0.000 1.105 250 R CB 0.180 30.595 30.300 0.190 0.000 1.008 250 R HN 0.303 nan 8.270 nan 0.000 0.472 251 P HA -0.166 nan 4.420 nan 0.000 0.218 251 P C 0.424 177.878 177.300 0.257 0.000 1.148 251 P CA 1.204 64.492 63.100 0.313 0.000 0.822 251 P CB 0.282 32.118 31.700 0.227 0.000 0.784 252 E N -1.405 118.912 120.200 0.196 0.000 2.130 252 E HA -0.198 4.153 4.350 0.002 0.000 0.196 252 E C 1.666 178.358 176.600 0.152 0.000 0.998 252 E CA 1.010 57.501 56.400 0.152 0.000 0.806 252 E CB -1.157 28.622 29.700 0.130 0.000 0.738 252 E HN 0.263 nan 8.360 nan 0.000 0.459 253 F N -0.103 119.847 119.950 -0.001 0.000 2.102 253 F HA -0.149 4.379 4.527 0.002 0.000 0.298 253 F C 1.664 177.402 175.800 -0.102 0.000 1.105 253 F CA 1.209 59.133 58.000 -0.126 0.000 1.239 253 F CB -0.295 38.539 39.000 -0.276 0.000 0.991 253 F HN -0.039 nan 8.300 nan 0.000 0.474 254 F N 0.620 120.530 119.950 -0.066 0.000 2.259 254 F HA 0.045 4.574 4.527 0.003 0.000 0.298 254 F C 2.599 178.354 175.800 -0.076 0.000 1.088 254 F CA 0.905 58.836 58.000 -0.114 0.000 1.358 254 F CB -1.565 37.583 39.000 0.246 0.000 1.040 254 F HN 0.084 nan 8.300 nan 0.000 0.505 255 A N 0.081 122.997 122.820 0.161 0.000 1.902 255 A HA -0.084 4.237 4.320 0.002 0.000 0.217 255 A C 2.460 180.046 177.584 0.002 0.000 1.181 255 A CA 1.851 53.941 52.037 0.089 0.000 0.623 255 A CB -1.242 17.816 19.000 0.098 0.000 0.818 255 A HN 0.290 nan 8.150 nan 0.000 0.443 256 A N -1.040 121.753 122.820 -0.045 0.000 1.898 256 A HA -0.086 4.236 4.320 0.002 0.000 0.216 256 A C 2.164 179.656 177.584 -0.153 0.000 1.181 256 A CA 1.894 53.883 52.037 -0.081 0.000 0.620 256 A CB -0.457 18.508 19.000 -0.060 0.000 0.819 256 A HN 0.413 nan 8.150 nan 0.000 0.442 257 M N -0.788 118.639 119.600 -0.288 0.000 2.117 257 M HA -0.106 4.376 4.480 0.002 0.000 0.262 257 M C 2.153 178.348 176.300 -0.175 0.000 1.065 257 M CA 1.598 56.689 55.300 -0.349 0.000 1.114 257 M CB -1.202 31.038 32.600 -0.600 0.000 1.361 257 M HN 0.467 nan 8.290 nan 0.000 0.408 258 R N 1.284 121.728 120.500 -0.094 0.000 2.096 258 R HA -0.148 4.193 4.340 0.002 0.000 0.240 258 R C 1.851 178.097 176.300 -0.090 0.000 1.139 258 R CA 1.755 57.809 56.100 -0.076 0.000 0.952 258 R CB -0.766 29.517 30.300 -0.028 0.000 0.854 258 R HN 0.327 nan 8.270 nan 0.000 0.436 259 E N 0.194 120.346 120.200 -0.080 0.000 2.072 259 E HA -0.157 4.194 4.350 0.002 0.000 0.191 259 E C 1.985 178.518 176.600 -0.112 0.000 0.985 259 E CA 1.074 57.424 56.400 -0.084 0.000 0.801 259 E CB -0.468 29.195 29.700 -0.063 0.000 0.750 259 E HN 0.232 nan 8.360 nan 0.000 0.452 260 L N 0.782 121.942 121.223 -0.104 0.000 2.046 260 L HA -0.163 4.179 4.340 0.002 0.000 0.208 260 L C 2.429 179.183 176.870 -0.193 0.000 1.077 260 L CA 1.476 56.259 54.840 -0.096 0.000 0.747 260 L CB -0.641 41.399 42.059 -0.031 0.000 0.896 260 L HN 0.117 nan 8.230 nan 0.000 0.432 261 C N -0.315 118.886 119.300 -0.164 0.000 2.398 261 C HA -0.184 4.278 4.460 0.002 0.000 0.276 261 C C 2.373 177.255 174.990 -0.180 0.000 1.222 261 C CA 1.012 59.934 59.018 -0.160 0.000 1.746 261 C CB -1.088 26.609 27.740 -0.072 0.000 2.039 261 C HN 0.583 nan 8.230 nan 0.000 0.470 262 D N 0.038 120.342 120.400 -0.160 0.000 2.144 262 D HA -0.121 4.520 4.640 0.002 0.000 0.200 262 D C 2.132 178.320 176.300 -0.187 0.000 0.978 262 D CA 1.020 54.932 54.000 -0.146 0.000 0.833 262 D CB -0.592 40.138 40.800 -0.117 0.000 0.961 262 D HN 0.639 nan 8.370 nan 0.000 0.470 263 E N -0.696 119.347 120.200 -0.261 0.000 2.153 263 E HA -0.149 4.203 4.350 0.002 0.000 0.194 263 E C 0.756 176.980 176.600 -0.627 0.000 0.988 263 E CA 0.706 56.849 56.400 -0.429 0.000 0.811 263 E CB -0.017 29.377 29.700 -0.511 0.000 0.746 263 E HN 0.222 nan 8.360 nan 0.000 0.466 264 F N 1.131 120.844 119.950 -0.395 0.000 2.639 264 F HA 0.150 4.678 4.527 0.002 0.000 0.300 264 F C -0.160 175.526 175.800 -0.190 0.000 1.109 264 F CA -0.152 57.614 58.000 -0.390 0.000 1.335 264 F CB 0.550 39.017 39.000 -0.889 0.000 1.014 264 F HN -0.150 nan 8.300 nan 0.000 0.537 265 D N 1.258 121.636 120.400 -0.037 0.000 2.735 265 D HA -0.184 4.457 4.640 0.002 0.000 0.235 265 D C 0.111 176.489 176.300 0.130 0.000 1.175 265 D CA 0.875 54.886 54.000 0.018 0.000 0.683 265 D CB -0.738 40.035 40.800 -0.044 0.000 1.008 265 D HN 0.311 nan 8.370 nan 0.000 0.416 266 A N 0.505 123.349 122.820 0.039 0.000 2.365 266 A HA 0.714 5.035 4.320 0.002 0.000 0.318 266 A C 0.256 177.746 177.584 -0.157 0.000 1.091 266 A CA -0.712 51.359 52.037 0.056 0.000 0.763 266 A CB 1.315 20.467 19.000 0.254 0.000 1.248 266 A HN 0.209 nan 8.150 nan 0.000 0.442 267 L N 1.428 122.474 121.223 -0.294 0.000 2.417 267 L HA 0.371 4.712 4.340 0.002 0.000 0.268 267 L C -0.188 176.513 176.870 -0.282 0.000 1.158 267 L CA -0.345 54.240 54.840 -0.425 0.000 0.819 267 L CB 0.944 42.661 42.059 -0.570 0.000 1.112 267 L HN 0.699 nan 8.230 nan 0.000 0.458 268 L N 4.078 125.106 121.223 -0.325 0.000 2.287 268 L HA 0.517 4.858 4.340 0.002 0.000 0.287 268 L C -0.524 176.042 176.870 -0.506 0.000 1.022 268 L CA -0.480 54.152 54.840 -0.348 0.000 0.814 268 L CB 1.458 43.304 42.059 -0.356 0.000 1.217 268 L HN 0.525 nan 8.230 nan 0.000 0.420 269 I N 3.520 123.770 120.570 -0.534 0.000 2.404 269 I HA 0.521 4.692 4.170 0.002 0.000 0.293 269 I C -1.513 174.278 176.117 -0.543 0.000 0.992 269 I CA 0.058 61.053 61.300 -0.507 0.000 1.149 269 I CB 1.187 38.950 38.000 -0.394 0.000 1.315 269 I HN 0.337 nan 8.210 nan 0.000 0.446 270 F N 5.230 124.997 119.950 -0.304 0.000 2.420 270 F HA 0.367 4.895 4.527 0.002 0.000 0.342 270 F C 0.278 175.997 175.800 -0.135 0.000 1.113 270 F CA -0.523 57.333 58.000 -0.239 0.000 1.059 270 F CB 1.015 39.879 39.000 -0.227 0.000 1.128 270 F HN 0.486 nan 8.300 nan 0.000 0.475 271 D N 3.495 124.008 120.400 0.188 0.000 2.441 271 D HA 0.070 4.711 4.640 0.002 0.000 0.221 271 D C 0.182 176.623 176.300 0.234 0.000 1.156 271 D CA 0.111 54.228 54.000 0.195 0.000 0.896 271 D CB 0.411 41.402 40.800 0.320 0.000 1.028 271 D HN 0.546 nan 8.370 nan 0.000 0.509 272 E N 2.867 123.212 120.200 0.242 0.000 2.370 272 E HA 0.038 4.389 4.350 0.002 0.000 0.194 272 E C 1.588 178.412 176.600 0.372 0.000 1.057 272 E CA -0.106 56.486 56.400 0.319 0.000 1.011 272 E CB 0.892 30.858 29.700 0.443 0.000 1.132 272 E HN 0.358 nan 8.360 nan 0.000 0.450 273 V N 0.802 120.898 119.914 0.303 0.000 2.332 273 V HA -0.300 3.821 4.120 0.002 0.000 0.248 273 V C 2.406 178.650 176.094 0.249 0.000 1.055 273 V CA 2.080 64.556 62.300 0.294 0.000 1.038 273 V CB -0.252 31.716 31.823 0.241 0.000 0.651 273 V HN 0.317 nan 8.190 nan 0.000 0.450 274 Q N -0.545 119.375 119.800 0.199 0.000 2.297 274 Q HA -0.093 4.249 4.340 0.002 0.000 0.203 274 Q C 2.182 178.254 176.000 0.120 0.000 0.931 274 Q CA 1.274 57.159 55.803 0.136 0.000 0.885 274 Q CB 0.186 28.978 28.738 0.090 0.000 0.991 274 Q HN 0.806 nan 8.270 nan 0.000 0.498 275 T N -2.708 111.932 114.554 0.143 0.000 3.067 275 T HA 0.190 4.542 4.350 0.002 0.000 0.261 275 T C 0.946 175.707 174.700 0.101 0.000 1.110 275 T CA 0.244 62.405 62.100 0.103 0.000 1.113 275 T CB 0.134 69.055 68.868 0.089 0.000 0.917 275 T HN 0.217 nan 8.240 nan 0.000 0.499 276 G N -0.442 108.475 108.800 0.195 0.000 2.580 276 G HA2 0.374 4.336 3.960 0.002 0.000 0.278 276 G HA3 0.374 4.336 3.960 0.002 0.000 0.278 276 G C 0.333 175.146 174.900 -0.146 0.000 1.212 276 G CA -0.163 45.032 45.100 0.158 0.000 0.939 276 G HN 0.720 nan 8.290 nan 0.000 0.513 277 C N -0.569 118.388 119.300 -0.571 0.000 4.424 277 C HA -0.051 4.410 4.460 0.002 0.000 0.304 277 C C 1.853 176.717 174.990 -0.211 0.000 1.344 277 C CA 1.191 59.947 59.018 -0.436 0.000 2.033 277 C CB -1.759 25.878 27.740 -0.171 0.000 1.264 277 C HN 2.843 nan 8.230 nan 0.000 0.750 278 G N -0.685 107.861 108.800 -0.423 0.000 2.217 278 G HA2 -0.298 3.664 3.960 0.002 0.000 0.246 278 G HA3 -0.298 3.664 3.960 0.002 0.000 0.246 278 G C 0.587 175.409 174.900 -0.131 0.000 0.990 278 G CA 0.444 45.363 45.100 -0.302 0.000 0.627 278 G HN 1.505 nan 8.290 nan 0.000 0.522 279 L N 1.933 123.099 121.223 -0.096 0.000 2.042 279 L HA 0.072 4.414 4.340 0.002 0.000 0.210 279 L C 2.960 179.812 176.870 -0.030 0.000 1.076 279 L CA 3.544 58.365 54.840 -0.032 0.000 0.749 279 L CB -0.648 41.407 42.059 -0.006 0.000 0.893 279 L HN 0.705 nan 8.230 nan 0.000 0.432 280 T N -4.098 110.415 114.554 -0.069 0.000 3.148 280 T HA 0.347 4.698 4.350 0.002 0.000 0.253 280 T C 1.401 176.063 174.700 -0.064 0.000 1.134 280 T CA 0.457 62.533 62.100 -0.040 0.000 1.051 280 T CB 0.010 68.858 68.868 -0.034 0.000 0.959 280 T HN 0.631 nan 8.240 nan 0.000 0.525 281 G N 0.829 109.562 108.800 -0.112 0.000 2.218 281 G HA2 -0.144 3.818 3.960 0.002 0.000 0.216 281 G HA3 -0.144 3.818 3.960 0.002 0.000 0.216 281 G C 0.255 175.021 174.900 -0.224 0.000 0.994 281 G CA 0.106 45.149 45.100 -0.095 0.000 0.637 281 G HN 1.159 nan 8.290 nan 0.000 0.505 282 T N -2.491 111.815 114.554 -0.413 0.000 2.907 282 T HA 0.823 5.175 4.350 0.002 0.000 0.290 282 T C 1.515 175.545 174.700 -1.117 0.000 1.066 282 T CA 0.455 62.165 62.100 -0.650 0.000 1.012 282 T CB 1.592 70.228 68.868 -0.386 0.000 1.184 282 T HN 1.395 nan 8.240 nan 0.000 0.522 283 A N -0.025 121.961 122.820 -1.390 0.000 1.903 283 A HA 0.061 4.383 4.320 0.002 0.000 0.219 283 A C 0.233 177.003 177.584 -1.355 0.000 1.191 283 A CA 0.909 52.049 52.037 -1.495 0.000 0.638 283 A CB -0.923 17.452 19.000 -1.041 0.000 0.823 283 A HN 0.801 nan 8.150 nan 0.000 0.451 284 W N -4.153 116.856 121.300 -0.485 0.000 2.936 284 W HA 0.620 5.281 4.660 0.002 0.000 0.338 284 W C 0.929 177.199 176.519 -0.416 0.000 1.121 284 W CA -0.452 56.661 57.345 -0.387 0.000 1.209 284 W CB 1.735 30.916 29.460 -0.465 0.000 1.420 284 W HN 0.108 nan 8.180 nan 0.000 0.516 285 A N 1.390 124.199 122.820 -0.017 0.000 1.933 285 A HA -0.256 4.066 4.320 0.002 0.000 0.218 285 A C 1.718 179.218 177.584 -0.140 0.000 1.175 285 A CA 2.095 54.080 52.037 -0.086 0.000 0.628 285 A CB -1.249 17.723 19.000 -0.047 0.000 0.814 285 A HN 0.881 nan 8.150 nan 0.000 0.444 286 Y N -0.030 120.163 120.300 -0.178 0.000 2.384 286 Y HA -0.198 4.353 4.550 0.002 0.000 0.289 286 Y C 1.933 177.805 175.900 -0.046 0.000 1.152 286 Y CA 1.550 59.495 58.100 -0.259 0.000 1.258 286 Y CB -0.898 37.385 38.460 -0.295 0.000 0.979 286 Y HN 0.408 nan 8.280 nan 0.000 0.549 287 Q N 0.303 119.823 119.800 -0.466 0.000 2.291 287 Q HA -0.154 4.188 4.340 0.002 0.000 0.205 287 Q C 1.945 177.889 176.000 -0.093 0.000 0.970 287 Q CA 1.541 57.173 55.803 -0.286 0.000 0.876 287 Q CB -0.123 28.400 28.738 -0.358 0.000 0.935 287 Q HN 0.722 nan 8.270 nan 0.000 0.455 288 Q N -0.336 119.419 119.800 -0.075 0.000 2.402 288 Q HA 0.073 4.414 4.340 0.002 0.000 0.206 288 Q C 1.503 177.536 176.000 0.055 0.000 0.919 288 Q CA 0.340 56.138 55.803 -0.009 0.000 0.923 288 Q CB 0.486 29.217 28.738 -0.011 0.000 1.048 288 Q HN 0.359 nan 8.270 nan 0.000 0.515 289 L N 0.045 121.316 121.223 0.080 0.000 2.529 289 L HA 0.076 4.418 4.340 0.002 0.000 0.223 289 L C 0.274 177.247 176.870 0.171 0.000 1.113 289 L CA 0.041 54.974 54.840 0.155 0.000 0.861 289 L CB 0.222 42.397 42.059 0.192 0.000 1.012 289 L HN 0.214 nan 8.230 nan 0.000 0.461 290 D N 1.168 121.657 120.400 0.147 0.000 2.746 290 D HA -0.147 4.494 4.640 0.002 0.000 0.236 290 D C -0.716 175.690 176.300 0.177 0.000 1.129 290 D CA 0.320 54.407 54.000 0.145 0.000 0.691 290 D CB -0.382 40.485 40.800 0.112 0.000 1.077 290 D HN 0.040 nan 8.370 nan 0.000 0.432 291 V N 0.549 120.609 119.914 0.243 0.000 2.540 291 V HA 0.685 4.807 4.120 0.002 0.000 0.302 291 V C 0.389 176.626 176.094 0.239 0.000 1.035 291 V CA -0.488 61.958 62.300 0.242 0.000 0.873 291 V CB 1.943 33.967 31.823 0.336 0.000 0.992 291 V HN 0.296 nan 8.190 nan 0.000 0.428 292 A N 7.481 130.358 122.820 0.095 0.000 2.260 292 A HA 0.807 5.128 4.320 0.002 0.000 0.312 292 A C -2.292 175.195 177.584 -0.162 0.000 1.321 292 A CA -1.429 50.601 52.037 -0.012 0.000 0.928 292 A CB 0.331 19.322 19.000 -0.014 0.000 1.158 292 A HN 0.593 nan 8.150 nan 0.000 0.542 293 P HA 0.261 nan 4.420 nan 0.000 0.278 293 P C -0.423 176.652 177.300 -0.375 0.000 1.266 293 P CA -0.280 62.553 63.100 -0.445 0.000 0.807 293 P CB 1.282 32.658 31.700 -0.540 0.000 1.094 294 D N -0.169 120.002 120.400 -0.382 0.000 2.277 294 D HA 0.092 4.733 4.640 0.002 0.000 0.209 294 D C 0.728 176.833 176.300 -0.325 0.000 0.970 294 D CA 1.120 54.913 54.000 -0.345 0.000 0.874 294 D CB 0.505 41.057 40.800 -0.412 0.000 0.982 294 D HN 0.318 nan 8.370 nan 0.000 0.504 295 I N -0.280 120.083 120.570 -0.345 0.000 2.722 295 I HA 0.298 4.469 4.170 0.002 0.000 0.295 295 I C -1.809 174.138 176.117 -0.283 0.000 1.161 295 I CA -0.756 60.372 61.300 -0.287 0.000 1.032 295 I CB 2.618 40.479 38.000 -0.231 0.000 1.244 295 I HN -0.382 nan 8.210 nan 0.000 0.421 296 V N 6.595 126.371 119.914 -0.230 0.000 2.487 296 V HA 0.851 4.972 4.120 0.002 0.000 0.298 296 V C 0.259 176.303 176.094 -0.084 0.000 1.028 296 V CA -0.371 61.819 62.300 -0.183 0.000 0.860 296 V CB 1.330 32.957 31.823 -0.327 0.000 0.991 296 V HN 0.977 nan 8.190 nan 0.000 0.427 297 A N 5.567 128.354 122.820 -0.055 0.000 2.301 297 A HA 0.945 5.266 4.320 0.002 0.000 0.312 297 A C -0.719 176.916 177.584 0.084 0.000 1.182 297 A CA -0.274 51.718 52.037 -0.075 0.000 0.826 297 A CB 0.418 19.382 19.000 -0.059 0.000 1.134 297 A HN 0.960 nan 8.150 nan 0.000 0.501 298 F N 0.223 120.278 119.950 0.175 0.000 2.620 298 F HA 0.968 5.497 4.527 0.002 0.000 0.320 298 F C 0.316 176.307 175.800 0.320 0.000 1.069 298 F CA -0.448 57.751 58.000 0.332 0.000 0.953 298 F CB 1.245 40.581 39.000 0.559 0.000 1.322 298 F HN 1.022 nan 8.300 nan 0.000 0.479 299 G N 0.028 109.171 108.800 0.572 0.000 2.393 299 G HA2 0.420 4.381 3.960 0.002 0.000 0.264 299 G HA3 0.420 4.381 3.960 0.002 0.000 0.264 299 G C -0.670 174.436 174.900 0.344 0.000 1.221 299 G CA -0.220 45.122 45.100 0.404 0.000 0.912 299 G HN 0.885 nan 8.290 nan 0.000 0.483 300 K N -0.958 119.583 120.400 0.235 0.000 3.860 300 K HA -0.314 4.008 4.320 0.002 0.000 0.215 300 K C 2.063 178.769 176.600 0.176 0.000 0.729 300 K CA 2.167 58.559 56.287 0.176 0.000 0.634 300 K CB -1.176 31.415 32.500 0.152 0.000 0.774 300 K HN 0.428 nan 8.250 nan 0.000 0.793 301 K N 0.640 121.139 120.400 0.166 0.000 2.211 301 K HA -0.122 4.200 4.320 0.002 0.000 0.204 301 K C 1.998 178.701 176.600 0.172 0.000 1.047 301 K CA 1.898 58.266 56.287 0.135 0.000 0.935 301 K CB -0.262 32.291 32.500 0.089 0.000 0.728 301 K HN 0.654 nan 8.250 nan 0.000 0.452 302 T N -1.401 113.317 114.554 0.273 0.000 3.113 302 T HA -0.084 4.267 4.350 0.002 0.000 0.263 302 T C 0.947 175.828 174.700 0.303 0.000 1.143 302 T CA 0.469 62.787 62.100 0.363 0.000 1.090 302 T CB 0.050 69.293 68.868 0.625 0.000 0.922 302 T HN 0.160 nan 8.240 nan 0.000 0.521 303 Q N -0.822 119.109 119.800 0.217 0.000 2.645 303 Q HA -0.194 4.147 4.340 0.002 0.000 0.188 303 Q C 0.590 176.652 176.000 0.104 0.000 2.862 303 Q CA 1.945 57.819 55.803 0.119 0.000 0.227 303 Q CB -2.330 26.442 28.738 0.057 0.000 0.207 303 Q HN 0.615 nan 8.270 nan 0.000 0.418 304 V N 2.036 122.015 119.914 0.108 0.000 2.649 304 V HA 0.317 4.438 4.120 0.002 0.000 0.292 304 V C 0.976 177.298 176.094 0.381 0.000 1.055 304 V CA -0.355 62.022 62.300 0.128 0.000 1.023 304 V CB 1.475 33.259 31.823 -0.065 0.000 0.992 304 V HN 0.462 nan 8.190 nan 0.000 0.480 305 C N 2.614 122.091 119.300 0.295 0.000 2.407 305 C HA 1.054 5.516 4.460 0.002 0.000 0.366 305 C C 0.950 175.946 174.990 0.009 0.000 1.213 305 C CA 0.434 59.578 59.018 0.209 0.000 2.011 305 C CB 0.985 28.785 27.740 0.101 0.000 2.306 305 C HN 1.328 nan 8.230 nan 0.000 0.527 306 G N -0.671 107.691 108.800 -0.729 0.000 2.336 306 G HA2 0.519 4.480 3.960 0.002 0.000 0.286 306 G HA3 0.519 4.480 3.960 0.002 0.000 0.286 306 G C -1.386 172.818 174.900 -1.160 0.000 1.269 306 G CA 0.341 44.981 45.100 -0.767 0.000 0.873 306 G HN 1.650 nan 8.290 nan 0.000 0.494 307 V N -2.545 117.067 119.914 -0.503 0.000 2.876 307 V HA 0.908 5.030 4.120 0.002 0.000 0.312 307 V C -0.221 175.923 176.094 0.083 0.000 1.085 307 V CA -1.073 61.121 62.300 -0.177 0.000 0.945 307 V CB 1.780 33.583 31.823 -0.034 0.000 1.017 307 V HN 0.942 nan 8.190 nan 0.000 0.428 308 M N 3.375 123.042 119.600 0.111 0.000 2.383 308 M HA 0.928 5.409 4.480 0.002 0.000 0.325 308 M C -0.278 175.911 176.300 -0.185 0.000 1.092 308 M CA -0.572 54.719 55.300 -0.016 0.000 0.961 308 M CB 2.024 34.645 32.600 0.035 0.000 1.672 308 M HN 1.069 nan 8.290 nan 0.000 0.438 309 A N 1.665 124.298 122.820 -0.311 0.000 2.556 309 A HA 1.067 5.389 4.320 0.002 0.000 0.294 309 A C -0.312 177.137 177.584 -0.224 0.000 1.091 309 A CA -0.023 51.803 52.037 -0.351 0.000 0.704 309 A CB 2.011 20.613 19.000 -0.664 0.000 1.300 309 A HN 1.055 nan 8.150 nan 0.000 0.406 310 G N -0.347 108.364 108.800 -0.149 0.000 2.512 310 G HA2 0.495 4.456 3.960 0.002 0.000 0.181 310 G HA3 0.495 4.456 3.960 0.002 0.000 0.181 310 G C 0.313 175.148 174.900 -0.107 0.000 1.173 310 G CA 0.870 45.923 45.100 -0.079 0.000 0.988 310 G HN 1.425 nan 8.290 nan 0.000 0.485 311 R N -0.919 119.523 120.500 -0.097 0.000 3.731 311 R HA -0.279 4.062 4.340 0.002 0.000 0.488 311 R C 2.106 178.363 176.300 -0.072 0.000 0.241 311 R CA 2.511 58.553 56.100 -0.095 0.000 1.531 311 R CB -1.162 29.049 30.300 -0.147 0.000 0.923 311 R HN 0.569 nan 8.270 nan 0.000 0.596 312 R N 0.168 120.582 120.500 -0.144 0.000 2.235 312 R HA -0.011 4.331 4.340 0.002 0.000 0.213 312 R C 2.147 178.434 176.300 -0.022 0.000 1.059 312 R CA 1.134 57.182 56.100 -0.087 0.000 0.997 312 R CB -0.014 30.161 30.300 -0.208 0.000 0.884 312 R HN 0.316 nan 8.270 nan 0.000 0.462 313 V N 1.810 121.612 119.914 -0.187 0.000 2.317 313 V HA -0.299 3.823 4.120 0.002 0.000 0.251 313 V C 1.634 177.904 176.094 0.293 0.000 1.065 313 V CA 1.975 64.244 62.300 -0.051 0.000 1.049 313 V CB -0.387 31.422 31.823 -0.025 0.000 0.651 313 V HN 0.316 nan 8.190 nan 0.000 0.450 314 D N -0.399 120.129 120.400 0.213 0.000 2.263 314 D HA -0.155 4.486 4.640 0.002 0.000 0.208 314 D C 2.054 178.490 176.300 0.226 0.000 0.971 314 D CA 0.938 55.071 54.000 0.220 0.000 0.867 314 D CB -0.103 40.807 40.800 0.183 0.000 0.929 314 D HN 0.623 nan 8.370 nan 0.000 0.492 315 E N 0.071 120.451 120.200 0.301 0.000 2.338 315 E HA -0.039 4.313 4.350 0.002 0.000 0.197 315 E C 0.251 176.972 176.600 0.202 0.000 1.007 315 E CA 0.234 56.794 56.400 0.266 0.000 0.849 315 E CB 0.579 30.485 29.700 0.343 0.000 0.774 315 E HN 0.006 nan 8.360 nan 0.000 0.506 316 V N 1.321 121.368 119.914 0.221 0.000 2.311 316 V HA 0.189 4.310 4.120 0.002 0.000 0.275 316 V C 0.804 176.947 176.094 0.082 0.000 1.022 316 V CA -0.055 62.268 62.300 0.039 0.000 0.830 316 V CB 1.077 32.802 31.823 -0.164 0.000 1.012 316 V HN 0.150 nan 8.190 nan 0.000 0.452 317 A N 3.896 126.742 122.820 0.043 0.000 2.019 317 A HA -0.094 4.227 4.320 0.002 0.000 0.219 317 A C 1.281 178.883 177.584 0.031 0.000 1.164 317 A CA 1.520 53.585 52.037 0.046 0.000 0.644 317 A CB -0.175 18.841 19.000 0.027 0.000 0.805 317 A HN 0.871 nan 8.150 nan 0.000 0.449 318 D N 0.118 120.523 120.400 0.008 0.000 2.894 318 D HA 0.116 4.757 4.640 0.002 0.000 0.248 318 D C -0.022 176.271 176.300 -0.011 0.000 1.291 318 D CA -0.489 53.507 54.000 -0.006 0.000 0.840 318 D CB -1.309 39.479 40.800 -0.020 0.000 1.044 318 D HN 0.585 nan 8.370 nan 0.000 0.484 319 N N -0.712 118.000 118.700 0.019 0.000 2.288 319 N HA -0.005 4.736 4.740 0.002 0.000 0.237 319 N C 1.438 176.885 175.510 -0.106 0.000 1.311 319 N CA -0.122 52.940 53.050 0.020 0.000 0.909 319 N CB 0.767 39.345 38.487 0.152 0.000 1.167 319 N HN -0.082 nan 8.380 nan 0.000 0.476 320 V N -3.813 115.935 119.914 -0.277 0.000 2.970 320 V HA 0.009 4.131 4.120 0.002 0.000 0.260 320 V C 1.035 176.770 176.094 -0.598 0.000 1.100 320 V CA 1.094 63.107 62.300 -0.478 0.000 1.122 320 V CB -1.348 30.087 31.823 -0.646 0.000 0.721 320 V HN 0.583 nan 8.190 nan 0.000 0.483 321 F N 1.127 120.967 119.950 -0.183 0.000 2.743 321 F HA 0.553 5.081 4.527 0.002 0.000 0.297 321 F C 2.301 178.010 175.800 -0.153 0.000 1.131 321 F CA 0.767 58.639 58.000 -0.214 0.000 1.426 321 F CB -0.315 38.426 39.000 -0.432 0.000 1.116 321 F HN 0.257 nan 8.300 nan 0.000 0.583 322 A N -0.757 122.055 122.820 -0.012 0.000 2.229 322 A HA 0.393 4.715 4.320 0.002 0.000 0.211 322 A C 0.469 178.057 177.584 0.006 0.000 1.193 322 A CA 0.211 52.256 52.037 0.013 0.000 0.879 322 A CB 0.038 19.047 19.000 0.015 0.000 0.911 322 A HN -0.009 nan 8.150 nan 0.000 0.492 323 V N 3.113 123.011 119.914 -0.027 0.000 2.417 323 V HA 0.345 4.466 4.120 0.002 0.000 0.291 323 V C -2.374 173.707 176.094 -0.021 0.000 1.024 323 V CA -1.886 60.400 62.300 -0.023 0.000 0.861 323 V CB 1.691 33.488 31.823 -0.042 0.000 0.985 323 V HN 0.306 nan 8.190 nan 0.000 0.436 324 P HA 0.119 nan 4.420 nan 0.000 0.271 324 P C 0.462 177.763 177.300 0.003 0.000 1.218 324 P CA 0.308 63.421 63.100 0.021 0.000 0.780 324 P CB 1.220 32.942 31.700 0.036 0.000 0.901 325 S N 0.108 115.817 115.700 0.015 0.000 3.228 325 S HA -0.149 4.322 4.470 0.002 0.000 0.282 325 S C 1.431 176.015 174.600 -0.027 0.000 1.286 325 S CA 0.816 59.020 58.200 0.007 0.000 1.066 325 S CB -0.922 62.283 63.200 0.008 0.000 1.277 325 S HN 0.581 nan 8.310 nan 0.000 0.661 326 R N -0.112 120.346 120.500 -0.070 0.000 2.100 326 R HA 0.232 4.573 4.340 0.002 0.000 0.220 326 R C 0.895 177.104 176.300 -0.151 0.000 1.091 326 R CA 0.869 56.902 56.100 -0.111 0.000 0.986 326 R CB -0.163 30.041 30.300 -0.159 0.000 0.888 326 R HN 0.496 nan 8.270 nan 0.000 0.444 327 L N 0.851 121.949 121.223 -0.209 0.000 2.346 327 L HA 0.441 4.782 4.340 0.002 0.000 0.274 327 L C -0.527 176.364 176.870 0.035 0.000 1.007 327 L CA -0.828 53.855 54.840 -0.261 0.000 0.818 327 L CB 1.826 43.375 42.059 -0.850 0.000 1.284 327 L HN -0.019 nan 8.230 nan 0.000 0.424 328 N N 0.298 119.110 118.700 0.187 0.000 3.322 328 N HA 0.575 5.316 4.740 0.002 0.000 0.233 328 N C -1.668 173.979 175.510 0.228 0.000 1.399 328 N CA -0.355 52.857 53.050 0.271 0.000 0.894 328 N CB 2.047 40.610 38.487 0.126 0.000 1.440 328 N HN 0.731 nan 8.380 nan 0.000 0.503 329 S N -0.993 114.805 115.700 0.163 0.000 2.625 329 S HA 0.440 4.912 4.470 0.002 0.000 0.271 329 S C 0.313 174.910 174.600 -0.005 0.000 1.161 329 S CA -0.305 57.938 58.200 0.072 0.000 0.820 329 S CB 1.092 64.356 63.200 0.107 0.000 1.137 329 S HN 0.430 nan 8.310 nan 0.000 0.470 330 T N 0.806 115.279 114.554 -0.136 0.000 2.665 330 T HA -0.080 4.271 4.350 0.002 0.000 0.268 330 T C 0.805 175.380 174.700 -0.208 0.000 1.035 330 T CA 1.845 63.762 62.100 -0.305 0.000 1.151 330 T CB -0.329 68.129 68.868 -0.682 0.000 0.862 330 T HN 0.674 nan 8.240 nan 0.000 0.438 331 W N 0.285 121.591 121.300 0.010 0.000 2.704 331 W HA 0.382 5.043 4.660 0.002 0.000 0.266 331 W C 1.760 178.278 176.519 -0.002 0.000 1.266 331 W CA 0.432 57.777 57.345 -0.001 0.000 1.377 331 W CB -0.734 28.720 29.460 -0.010 0.000 1.082 331 W HN 0.471 nan 8.180 nan 0.000 0.608 332 G N 1.732 110.647 108.800 0.190 0.000 2.295 332 G HA2 0.084 4.045 3.960 0.002 0.000 0.287 332 G HA3 0.084 4.045 3.960 0.002 0.000 0.287 332 G C 0.644 175.595 174.900 0.085 0.000 1.055 332 G CA 0.602 45.749 45.100 0.079 0.000 0.922 332 G HN 0.832 nan 8.290 nan 0.000 0.503 333 G N -0.999 107.867 108.800 0.109 0.000 2.699 333 G HA2 0.137 4.098 3.960 0.002 0.000 0.686 333 G HA3 0.137 4.098 3.960 0.002 0.000 0.686 333 G C -0.452 174.436 174.900 -0.020 0.000 1.301 333 G CA 0.096 45.222 45.100 0.042 0.000 0.816 333 G HN 1.303 nan 8.290 nan 0.000 0.595 334 N N 0.152 118.786 118.700 -0.111 0.000 2.419 334 N HA 0.332 5.074 4.740 0.002 0.000 0.264 334 N C 1.451 176.837 175.510 -0.207 0.000 1.031 334 N CA -0.625 52.309 53.050 -0.192 0.000 0.951 334 N CB 1.432 39.793 38.487 -0.209 0.000 1.101 334 N HN 0.634 nan 8.380 nan 0.000 0.488 335 L N 4.230 125.344 121.223 -0.181 0.000 2.083 335 L HA -0.104 4.237 4.340 0.002 0.000 0.209 335 L C 1.888 178.657 176.870 -0.169 0.000 1.083 335 L CA 1.897 56.640 54.840 -0.162 0.000 0.752 335 L CB -0.750 41.251 42.059 -0.097 0.000 0.899 335 L HN 0.595 nan 8.230 nan 0.000 0.433 336 T N -0.623 113.834 114.554 -0.162 0.000 2.684 336 T HA -0.178 4.174 4.350 0.002 0.000 0.267 336 T C 1.482 176.105 174.700 -0.128 0.000 1.036 336 T CA 1.577 63.596 62.100 -0.135 0.000 1.148 336 T CB -0.371 68.415 68.868 -0.136 0.000 0.863 336 T HN 0.378 nan 8.240 nan 0.000 0.436 337 D N 0.904 121.207 120.400 -0.162 0.000 2.149 337 D HA -0.032 4.609 4.640 0.002 0.000 0.198 337 D C 2.073 178.208 176.300 -0.276 0.000 0.990 337 D CA 0.999 54.903 54.000 -0.162 0.000 0.839 337 D CB -0.303 40.406 40.800 -0.152 0.000 0.948 337 D HN 0.399 nan 8.370 nan 0.000 0.460 338 M N -0.068 119.251 119.600 -0.469 0.000 2.086 338 M HA -0.131 4.350 4.480 0.002 0.000 0.261 338 M C 2.333 178.427 176.300 -0.342 0.000 1.067 338 M CA 0.898 55.658 55.300 -0.900 0.000 1.116 338 M CB -0.151 31.900 32.600 -0.915 0.000 1.348 338 M HN -0.107 nan 8.290 nan 0.000 0.407 339 V N 0.046 119.888 119.914 -0.120 0.000 2.295 339 V HA -0.267 3.854 4.120 0.002 0.000 0.246 339 V C 2.369 178.606 176.094 0.240 0.000 1.049 339 V CA 1.892 64.243 62.300 0.085 0.000 1.024 339 V CB -0.780 31.072 31.823 0.048 0.000 0.648 339 V HN 0.440 nan 8.190 nan 0.000 0.447 340 R N 0.081 120.688 120.500 0.178 0.000 2.083 340 R HA -0.181 4.161 4.340 0.002 0.000 0.237 340 R C 2.350 178.725 176.300 0.126 0.000 1.137 340 R CA 1.771 58.015 56.100 0.239 0.000 0.951 340 R CB -0.546 29.841 30.300 0.146 0.000 0.851 340 R HN 0.498 nan 8.270 nan 0.000 0.434 341 A N 1.044 123.915 122.820 0.085 0.000 1.940 341 A HA -0.201 4.120 4.320 0.002 0.000 0.219 341 A C 2.174 179.893 177.584 0.225 0.000 1.176 341 A CA 1.422 53.551 52.037 0.154 0.000 0.631 341 A CB -0.659 18.462 19.000 0.203 0.000 0.814 341 A HN 0.338 nan 8.150 nan 0.000 0.446 342 R N -0.570 120.106 120.500 0.294 0.000 2.080 342 R HA -0.204 4.137 4.340 0.002 0.000 0.236 342 R C 2.368 178.709 176.300 0.068 0.000 1.137 342 R CA 2.044 58.300 56.100 0.259 0.000 0.943 342 R CB -0.312 30.153 30.300 0.274 0.000 0.846 342 R HN 0.412 nan 8.270 nan 0.000 0.431 343 R N 0.739 121.231 120.500 -0.013 0.000 2.081 343 R HA -0.037 4.304 4.340 0.002 0.000 0.235 343 R C 2.282 178.458 176.300 -0.207 0.000 1.131 343 R CA 1.582 57.533 56.100 -0.249 0.000 0.960 343 R CB -0.606 29.208 30.300 -0.810 0.000 0.856 343 R HN 0.333 nan 8.270 nan 0.000 0.436 344 I N 0.187 120.680 120.570 -0.128 0.000 2.163 344 I HA -0.329 3.842 4.170 0.002 0.000 0.243 344 I C 2.062 178.118 176.117 -0.101 0.000 1.085 344 I CA 1.363 62.606 61.300 -0.095 0.000 1.347 344 I CB -0.296 37.687 38.000 -0.028 0.000 1.044 344 I HN 0.178 nan 8.210 nan 0.000 0.408 345 L N 0.166 121.350 121.223 -0.065 0.000 2.079 345 L HA -0.233 4.108 4.340 0.002 0.000 0.210 345 L C 2.490 179.270 176.870 -0.150 0.000 1.081 345 L CA 1.502 56.277 54.840 -0.109 0.000 0.752 345 L CB -0.599 41.420 42.059 -0.068 0.000 0.896 345 L HN 0.287 nan 8.230 nan 0.000 0.433 346 E N -0.549 119.578 120.200 -0.122 0.000 2.110 346 E HA -0.180 4.172 4.350 0.002 0.000 0.193 346 E C 2.259 178.766 176.600 -0.155 0.000 0.988 346 E CA 1.186 57.508 56.400 -0.129 0.000 0.804 346 E CB -0.028 29.607 29.700 -0.108 0.000 0.745 346 E HN 0.278 nan 8.360 nan 0.000 0.458 347 V N 1.457 121.273 119.914 -0.165 0.000 2.307 347 V HA -0.255 3.866 4.120 0.002 0.000 0.245 347 V C 2.248 178.222 176.094 -0.200 0.000 1.045 347 V CA 1.462 63.663 62.300 -0.165 0.000 1.024 347 V CB -0.392 31.340 31.823 -0.153 0.000 0.651 347 V HN 0.274 nan 8.190 nan 0.000 0.449 348 I N 0.150 120.574 120.570 -0.242 0.000 2.151 348 I HA -0.327 3.845 4.170 0.002 0.000 0.243 348 I C 2.644 178.501 176.117 -0.435 0.000 1.080 348 I CA 2.323 63.402 61.300 -0.369 0.000 1.339 348 I CB -0.357 37.369 38.000 -0.457 0.000 1.039 348 I HN 0.467 nan 8.210 nan 0.000 0.409 349 E N 1.127 121.112 120.200 -0.358 0.000 2.072 349 E HA -0.212 4.139 4.350 0.002 0.000 0.191 349 E C 2.249 178.718 176.600 -0.218 0.000 0.985 349 E CA 1.255 57.472 56.400 -0.304 0.000 0.801 349 E CB -0.018 29.549 29.700 -0.221 0.000 0.750 349 E HN 0.470 nan 8.360 nan 0.000 0.452 350 A N 1.188 123.900 122.820 -0.179 0.000 1.897 350 A HA -0.121 4.201 4.320 0.002 0.000 0.215 350 A C 1.798 179.304 177.584 -0.131 0.000 1.181 350 A CA 1.278 53.234 52.037 -0.134 0.000 0.620 350 A CB -0.218 18.713 19.000 -0.115 0.000 0.821 350 A HN 0.270 nan 8.150 nan 0.000 0.443 351 E N -0.859 119.249 120.200 -0.153 0.000 2.479 351 E HA 0.208 4.559 4.350 0.002 0.000 0.193 351 E C 0.833 177.345 176.600 -0.147 0.000 1.049 351 E CA 0.442 56.761 56.400 -0.135 0.000 0.870 351 E CB -0.110 29.510 29.700 -0.132 0.000 0.944 351 E HN 0.712 nan 8.360 nan 0.000 0.492 352 G N 2.392 111.080 108.800 -0.186 0.000 2.314 352 G HA2 -0.284 3.677 3.960 0.002 0.000 0.292 352 G HA3 -0.284 3.677 3.960 0.002 0.000 0.292 352 G C 0.727 175.518 174.900 -0.181 0.000 1.059 352 G CA 0.313 45.305 45.100 -0.180 0.000 0.982 352 G HN 0.313 nan 8.290 nan 0.000 0.505 353 L N -1.266 119.796 121.223 -0.269 0.000 2.291 353 L HA 0.080 4.421 4.340 0.002 0.000 0.214 353 L C 2.627 179.464 176.870 -0.055 0.000 1.120 353 L CA 0.418 55.143 54.840 -0.191 0.000 0.799 353 L CB -0.379 41.554 42.059 -0.211 0.000 0.925 353 L HN 0.324 nan 8.230 nan 0.000 0.446 354 F N 0.652 120.530 119.950 -0.120 0.000 2.134 354 F HA -0.199 4.329 4.527 0.003 0.000 0.299 354 F C 2.647 178.396 175.800 -0.084 0.000 1.097 354 F CA 1.287 59.217 58.000 -0.117 0.000 1.264 354 F CB -0.809 38.111 39.000 -0.133 0.000 1.001 354 F HN 0.097 nan 8.300 nan 0.000 0.479 355 E N 0.663 120.932 120.200 0.116 0.000 2.106 355 E HA -0.178 4.173 4.350 0.002 0.000 0.192 355 E C 2.340 178.963 176.600 0.039 0.000 0.984 355 E CA 1.046 57.482 56.400 0.059 0.000 0.806 355 E CB -0.272 29.445 29.700 0.028 0.000 0.750 355 E HN 0.261 nan 8.360 nan 0.000 0.458 356 R N -0.406 120.090 120.500 -0.006 0.000 2.096 356 R HA -0.047 4.294 4.340 0.002 0.000 0.235 356 R C 2.121 178.394 176.300 -0.046 0.000 1.127 356 R CA 1.266 57.330 56.100 -0.060 0.000 0.968 356 R CB -0.318 29.877 30.300 -0.176 0.000 0.861 356 R HN 0.229 nan 8.270 nan 0.000 0.440 357 A N 0.136 122.952 122.820 -0.007 0.000 1.902 357 A HA -0.100 4.222 4.320 0.002 0.000 0.217 357 A C 2.209 179.832 177.584 0.066 0.000 1.181 357 A CA 1.526 53.580 52.037 0.028 0.000 0.623 357 A CB -0.502 18.522 19.000 0.040 0.000 0.818 357 A HN 0.210 nan 8.150 nan 0.000 0.443 358 V N 0.041 119.993 119.914 0.062 0.000 2.255 358 V HA -0.283 3.839 4.120 0.002 0.000 0.247 358 V C 2.776 178.925 176.094 0.092 0.000 1.051 358 V CA 2.135 64.472 62.300 0.061 0.000 1.018 358 V CB -0.772 31.078 31.823 0.045 0.000 0.641 358 V HN 0.545 nan 8.190 nan 0.000 0.445 359 Q N -0.720 119.155 119.800 0.124 0.000 2.046 359 Q HA -0.135 4.207 4.340 0.002 0.000 0.200 359 Q C 2.175 178.286 176.000 0.185 0.000 0.975 359 Q CA 1.685 57.577 55.803 0.149 0.000 0.836 359 Q CB -0.499 28.339 28.738 0.166 0.000 0.896 359 Q HN 0.759 nan 8.270 nan 0.000 0.428 360 H N -1.018 118.070 119.070 0.031 0.000 2.470 360 H HA 0.034 4.591 4.556 0.002 0.000 0.289 360 H C 1.935 177.313 175.328 0.084 0.000 1.033 360 H CA 0.604 56.678 56.048 0.044 0.000 1.331 360 H CB 0.237 29.994 29.762 -0.008 0.000 1.414 360 H HN 0.330 nan 8.280 nan 0.000 0.545 361 G N 1.401 110.307 108.800 0.177 0.000 2.418 361 G HA2 -0.236 3.726 3.960 0.002 0.000 0.217 361 G HA3 -0.236 3.726 3.960 0.002 0.000 0.217 361 G C 1.684 176.632 174.900 0.080 0.000 1.158 361 G CA 0.377 45.541 45.100 0.107 0.000 0.771 361 G HN 0.287 nan 8.290 nan 0.000 0.545 362 K N -0.823 119.627 120.400 0.083 0.000 2.057 362 K HA -0.103 4.219 4.320 0.002 0.000 0.207 362 K C 2.150 178.776 176.600 0.043 0.000 1.049 362 K CA 1.221 57.538 56.287 0.051 0.000 0.931 362 K CB -0.360 32.171 32.500 0.051 0.000 0.714 362 K HN 0.389 nan 8.250 nan 0.000 0.440 363 Y N 1.453 121.723 120.300 -0.049 0.000 2.097 363 Y HA -0.289 4.262 4.550 0.002 0.000 0.282 363 Y C 2.123 177.975 175.900 -0.080 0.000 1.152 363 Y CA 1.462 59.514 58.100 -0.081 0.000 1.136 363 Y CB -0.306 38.071 38.460 -0.140 0.000 0.975 363 Y HN -0.007 nan 8.280 nan 0.000 0.498 364 L N 0.805 122.081 121.223 0.088 0.000 2.042 364 L HA -0.181 4.160 4.340 0.002 0.000 0.210 364 L C 2.462 179.249 176.870 -0.139 0.000 1.076 364 L CA 2.190 57.002 54.840 -0.047 0.000 0.749 364 L CB -0.916 41.120 42.059 -0.039 0.000 0.893 364 L HN 0.197 nan 8.230 nan 0.000 0.432 365 R N 0.147 120.598 120.500 -0.083 0.000 2.081 365 R HA -0.056 4.285 4.340 0.002 0.000 0.235 365 R C 2.163 178.396 176.300 -0.113 0.000 1.131 365 R CA 1.673 57.726 56.100 -0.079 0.000 0.960 365 R CB -0.930 29.347 30.300 -0.039 0.000 0.856 365 R HN 0.485 nan 8.270 nan 0.000 0.436 366 A N 0.812 123.544 122.820 -0.148 0.000 1.908 366 A HA -0.152 4.170 4.320 0.002 0.000 0.218 366 A C 2.031 179.486 177.584 -0.216 0.000 1.181 366 A CA 1.528 53.457 52.037 -0.180 0.000 0.627 366 A CB -0.460 18.405 19.000 -0.224 0.000 0.818 366 A HN 0.225 nan 8.150 nan 0.000 0.445 367 R N -0.296 120.033 120.500 -0.286 0.000 2.092 367 R HA 0.005 4.346 4.340 0.002 0.000 0.231 367 R C 2.012 178.206 176.300 -0.177 0.000 1.119 367 R CA 1.042 56.993 56.100 -0.249 0.000 0.970 367 R CB -1.009 29.130 30.300 -0.268 0.000 0.864 367 R HN 0.610 nan 8.270 nan 0.000 0.440 368 L N 0.575 121.697 121.223 -0.169 0.000 2.109 368 L HA -0.146 4.195 4.340 0.002 0.000 0.207 368 L C 1.802 178.602 176.870 -0.117 0.000 1.086 368 L CA 1.080 55.832 54.840 -0.146 0.000 0.760 368 L CB -0.461 41.548 42.059 -0.083 0.000 0.910 368 L HN 0.054 nan 8.230 nan 0.000 0.437 369 D N 0.386 120.729 120.400 -0.096 0.000 2.104 369 D HA -0.199 4.442 4.640 0.002 0.000 0.194 369 D C 2.069 178.325 176.300 -0.073 0.000 0.994 369 D CA 1.262 55.218 54.000 -0.074 0.000 0.830 369 D CB -0.062 40.696 40.800 -0.070 0.000 0.959 369 D HN 0.362 nan 8.370 nan 0.000 0.452 370 E N 0.308 120.456 120.200 -0.088 0.000 2.085 370 E HA -0.144 4.208 4.350 0.002 0.000 0.194 370 E C 2.389 178.965 176.600 -0.040 0.000 0.994 370 E CA 0.413 56.770 56.400 -0.071 0.000 0.801 370 E CB -0.115 29.534 29.700 -0.085 0.000 0.743 370 E HN 0.246 nan 8.360 nan 0.000 0.453 371 L N 0.361 121.555 121.223 -0.049 0.000 2.042 371 L HA -0.227 4.115 4.340 0.002 0.000 0.210 371 L C 2.541 179.440 176.870 0.048 0.000 1.076 371 L CA 1.110 55.955 54.840 0.008 0.000 0.749 371 L CB -0.454 41.509 42.059 -0.160 0.000 0.893 371 L HN 0.193 nan 8.230 nan 0.000 0.432 372 A N -0.285 122.511 122.820 -0.040 0.000 1.902 372 A HA -0.179 4.142 4.320 0.002 0.000 0.217 372 A C 2.484 180.071 177.584 0.005 0.000 1.181 372 A CA 1.668 53.696 52.037 -0.016 0.000 0.623 372 A CB -0.634 18.348 19.000 -0.030 0.000 0.818 372 A HN 0.448 nan 8.150 nan 0.000 0.443 373 A N -0.066 122.742 122.820 -0.020 0.000 1.902 373 A HA -0.179 4.142 4.320 0.002 0.000 0.217 373 A C 1.732 179.271 177.584 -0.075 0.000 1.181 373 A CA 1.941 53.953 52.037 -0.041 0.000 0.623 373 A CB -0.508 18.463 19.000 -0.049 0.000 0.818 373 A HN 0.449 nan 8.150 nan 0.000 0.443 374 D N -1.538 118.809 120.400 -0.088 0.000 2.234 374 D HA 0.040 4.681 4.640 0.002 0.000 0.205 374 D C -0.192 175.789 176.300 -0.532 0.000 0.962 374 D CA 0.870 54.694 54.000 -0.293 0.000 0.855 374 D CB -0.075 40.542 40.800 -0.305 0.000 0.951 374 D HN 0.458 nan 8.370 nan 0.000 0.500 375 F N 0.332 120.246 119.950 -0.060 0.000 2.597 375 F HA 0.254 4.782 4.527 0.002 0.000 0.336 375 F C -1.586 174.190 175.800 -0.039 0.000 1.432 375 F CA -1.743 56.229 58.000 -0.048 0.000 1.120 375 F CB 1.398 40.363 39.000 -0.059 0.000 1.253 375 F HN -0.165 nan 8.300 nan 0.000 0.546 376 P HA -0.241 nan 4.420 nan 0.000 0.217 376 P C 1.337 178.672 177.300 0.059 0.000 1.148 376 P CA 1.644 64.768 63.100 0.041 0.000 0.828 376 P CB 0.350 32.053 31.700 0.006 0.000 0.783 377 A N -1.283 121.580 122.820 0.073 0.000 2.218 377 A HA 0.175 4.496 4.320 0.002 0.000 0.209 377 A C 2.001 179.636 177.584 0.085 0.000 1.168 377 A CA 0.628 52.706 52.037 0.069 0.000 0.804 377 A CB -0.441 18.594 19.000 0.059 0.000 0.834 377 A HN 0.116 nan 8.150 nan 0.000 0.482 378 V N -1.598 118.382 119.914 0.111 0.000 3.058 378 V HA 0.091 4.212 4.120 0.002 0.000 0.233 378 V C 0.491 176.646 176.094 0.101 0.000 1.255 378 V CA 0.409 62.773 62.300 0.106 0.000 1.267 378 V CB 0.538 32.433 31.823 0.119 0.000 1.049 378 V HN 0.062 nan 8.190 nan 0.000 0.486 379 V N 3.800 123.755 119.914 0.070 0.000 2.304 379 V HA 0.389 4.510 4.120 0.002 0.000 0.262 379 V C -0.415 175.719 176.094 0.066 0.000 1.061 379 V CA 0.020 62.316 62.300 -0.006 0.000 0.872 379 V CB 0.524 32.206 31.823 -0.235 0.000 1.077 379 V HN 0.242 nan 8.190 nan 0.000 0.480 380 L N 3.615 124.937 121.223 0.165 0.000 2.325 380 L HA 0.589 4.931 4.340 0.002 0.000 0.278 380 L C 0.518 177.484 176.870 0.161 0.000 1.023 380 L CA -0.693 54.227 54.840 0.134 0.000 0.811 380 L CB 1.097 43.228 42.059 0.121 0.000 1.249 380 L HN 0.565 nan 8.230 nan 0.000 0.431 381 D N 1.538 122.002 120.400 0.107 0.000 2.705 381 D HA -0.111 4.530 4.640 0.002 0.000 0.240 381 D C -2.237 174.135 176.300 0.121 0.000 1.137 381 D CA -0.042 54.016 54.000 0.096 0.000 0.677 381 D CB -0.223 40.635 40.800 0.096 0.000 1.049 381 D HN 0.179 nan 8.370 nan 0.000 0.427 382 P HA 0.134 nan 4.420 nan 0.000 0.267 382 P C -0.054 177.275 177.300 0.049 0.000 1.205 382 P CA 0.312 63.482 63.100 0.117 0.000 0.765 382 P CB 0.642 32.368 31.700 0.044 0.000 0.828 383 R N 1.272 121.802 120.500 0.050 0.000 2.690 383 R HA 0.844 5.186 4.340 0.002 0.000 0.269 383 R C -1.169 175.106 176.300 -0.042 0.000 1.037 383 R CA -0.953 55.107 56.100 -0.068 0.000 0.877 383 R CB 1.221 31.444 30.300 -0.128 0.000 1.255 383 R HN 0.600 nan 8.270 nan 0.000 0.467 384 G N 0.742 109.445 108.800 -0.162 0.000 2.338 384 G HA2 0.397 4.358 3.960 0.002 0.000 0.295 384 G HA3 0.397 4.358 3.960 0.002 0.000 0.295 384 G C -1.999 172.939 174.900 0.063 0.000 1.461 384 G CA -1.037 44.084 45.100 0.034 0.000 0.817 384 G HN 0.624 nan 8.290 nan 0.000 0.556 385 R N 0.165 120.794 120.500 0.215 0.000 2.514 385 R HA 0.572 4.913 4.340 0.002 0.000 0.296 385 R C 0.907 177.268 176.300 0.101 0.000 1.012 385 R CA 0.841 57.032 56.100 0.152 0.000 0.897 385 R CB 1.180 31.610 30.300 0.217 0.000 1.184 385 R HN 2.366 nan 8.270 nan 0.000 0.440 386 G N 2.820 111.659 108.800 0.064 0.000 2.611 386 G HA2 -0.343 3.618 3.960 0.002 0.000 0.301 386 G HA3 -0.343 3.618 3.960 0.002 0.000 0.301 386 G C 0.097 175.038 174.900 0.068 0.000 1.233 386 G CA 0.112 45.243 45.100 0.052 0.000 0.993 386 G HN 0.452 nan 8.290 nan 0.000 0.553 387 L N 0.642 121.903 121.223 0.064 0.000 2.599 387 L HA 0.390 4.731 4.340 0.002 0.000 0.230 387 L C 1.951 178.880 176.870 0.099 0.000 1.141 387 L CA 0.724 55.611 54.840 0.077 0.000 0.877 387 L CB -0.631 41.466 42.059 0.063 0.000 1.009 387 L HN 0.580 nan 8.230 nan 0.000 0.447 388 M N 0.016 119.676 119.600 0.100 0.000 2.557 388 M HA 0.157 4.638 4.480 0.002 0.000 0.328 388 M C -0.975 175.429 176.300 0.174 0.000 1.423 388 M CA 0.156 55.530 55.300 0.123 0.000 1.418 388 M CB -0.104 32.552 32.600 0.093 0.000 1.381 388 M HN 0.109 nan 8.290 nan 0.000 0.467 389 C N 3.332 122.753 119.300 0.202 0.000 2.971 389 C HA 1.025 5.486 4.460 0.002 0.000 0.310 389 C C -0.330 174.859 174.990 0.332 0.000 1.285 389 C CA -0.600 58.551 59.018 0.222 0.000 1.593 389 C CB 1.762 29.576 27.740 0.122 0.000 2.076 389 C HN 0.898 nan 8.230 nan 0.000 0.472 390 A N 0.922 123.931 122.820 0.316 0.000 2.586 390 A HA 0.928 5.250 4.320 0.002 0.000 0.291 390 A C -1.392 176.383 177.584 0.320 0.000 1.062 390 A CA -0.450 51.751 52.037 0.273 0.000 0.666 390 A CB 0.882 19.953 19.000 0.118 0.000 1.281 390 A HN 1.480 nan 8.150 nan 0.000 0.421 391 F N -1.069 118.980 119.950 0.164 0.000 2.715 391 F HA 0.915 5.443 4.527 0.002 0.000 0.318 391 F C -0.262 175.575 175.800 0.062 0.000 1.141 391 F CA -0.802 57.258 58.000 0.100 0.000 0.950 391 F CB 1.207 40.270 39.000 0.105 0.000 1.374 391 F HN 0.477 nan 8.300 nan 0.000 0.477 392 S N 0.782 116.633 115.700 0.253 0.000 2.648 392 S HA 0.834 5.306 4.470 0.002 0.000 0.305 392 S C -1.055 173.680 174.600 0.225 0.000 1.094 392 S CA -0.645 57.620 58.200 0.109 0.000 0.983 392 S CB 1.950 65.198 63.200 0.080 0.000 1.101 392 S HN 0.572 nan 8.310 nan 0.000 0.514 393 L N 1.675 122.967 121.223 0.115 0.000 2.313 393 L HA 0.483 4.824 4.340 0.002 0.000 0.268 393 L C -1.770 175.147 176.870 0.078 0.000 1.010 393 L CA -1.976 52.937 54.840 0.122 0.000 0.814 393 L CB 0.886 43.001 42.059 0.093 0.000 1.304 393 L HN 0.379 nan 8.230 nan 0.000 0.441 394 P HA -0.081 nan 4.420 nan 0.000 0.216 394 P C -0.153 177.172 177.300 0.041 0.000 1.150 394 P CA 1.106 64.239 63.100 0.056 0.000 0.837 394 P CB 0.086 31.817 31.700 0.053 0.000 0.786 395 T N -6.819 107.755 114.554 0.034 0.000 2.883 395 T HA 0.360 4.711 4.350 0.002 0.000 0.296 395 T C 1.024 175.732 174.700 0.013 0.000 1.117 395 T CA -0.019 62.095 62.100 0.023 0.000 1.006 395 T CB 1.269 70.150 68.868 0.022 0.000 1.191 395 T HN -0.031 nan 8.240 nan 0.000 0.508 396 T N -0.685 113.873 114.554 0.006 0.000 2.915 396 T HA 0.029 4.380 4.350 0.002 0.000 0.269 396 T C 2.206 176.902 174.700 -0.007 0.000 1.071 396 T CA 1.273 63.369 62.100 -0.005 0.000 1.132 396 T CB -0.835 68.028 68.868 -0.008 0.000 0.878 396 T HN 0.886 nan 8.240 nan 0.000 0.479 397 A N 2.011 124.832 122.820 0.001 0.000 1.898 397 A HA -0.058 4.263 4.320 0.002 0.000 0.216 397 A C 2.225 179.812 177.584 0.004 0.000 1.181 397 A CA 1.673 53.710 52.037 0.001 0.000 0.620 397 A CB -0.729 18.274 19.000 0.006 0.000 0.819 397 A HN 0.549 nan 8.150 nan 0.000 0.442 398 D N -0.618 119.789 120.400 0.012 0.000 2.117 398 D HA -0.150 4.492 4.640 0.002 0.000 0.197 398 D C 2.110 178.417 176.300 0.011 0.000 0.987 398 D CA 0.957 54.968 54.000 0.019 0.000 0.829 398 D CB -0.346 40.473 40.800 0.033 0.000 0.961 398 D HN 0.261 nan 8.370 nan 0.000 0.460 399 R N 1.160 121.659 120.500 -0.002 0.000 2.083 399 R HA -0.139 4.202 4.340 0.002 0.000 0.237 399 R C 1.341 177.617 176.300 -0.040 0.000 1.137 399 R CA 1.403 57.484 56.100 -0.031 0.000 0.951 399 R CB -0.457 29.811 30.300 -0.053 0.000 0.851 399 R HN 0.107 nan 8.270 nan 0.000 0.434 400 D N 0.275 120.655 120.400 -0.033 0.000 2.117 400 D HA -0.163 4.478 4.640 0.002 0.000 0.197 400 D C 1.830 178.118 176.300 -0.021 0.000 0.987 400 D CA 1.158 55.136 54.000 -0.037 0.000 0.829 400 D CB -0.200 40.580 40.800 -0.033 0.000 0.961 400 D HN 0.269 nan 8.370 nan 0.000 0.460 401 E N 0.464 120.660 120.200 -0.007 0.000 2.072 401 E HA -0.122 4.229 4.350 0.002 0.000 0.191 401 E C 1.947 178.557 176.600 0.016 0.000 0.985 401 E CA 0.351 56.755 56.400 0.007 0.000 0.801 401 E CB -0.380 29.327 29.700 0.012 0.000 0.750 401 E HN 0.161 nan 8.360 nan 0.000 0.452 402 L N 0.367 121.598 121.223 0.012 0.000 2.042 402 L HA -0.098 4.243 4.340 0.002 0.000 0.210 402 L C 2.146 179.029 176.870 0.021 0.000 1.076 402 L CA 1.668 56.522 54.840 0.023 0.000 0.749 402 L CB -0.445 41.637 42.059 0.039 0.000 0.893 402 L HN 0.261 nan 8.230 nan 0.000 0.432 403 I N -0.885 119.681 120.570 -0.007 0.000 2.226 403 I HA -0.304 3.867 4.170 0.002 0.000 0.245 403 I C 2.644 178.797 176.117 0.061 0.000 1.100 403 I CA 1.203 62.500 61.300 -0.005 0.000 1.374 403 I CB -0.360 37.605 38.000 -0.058 0.000 1.057 403 I HN 0.270 nan 8.210 nan 0.000 0.413 404 R N 0.294 120.824 120.500 0.050 0.000 2.081 404 R HA -0.176 4.165 4.340 0.002 0.000 0.235 404 R C 2.352 178.741 176.300 0.148 0.000 1.131 404 R CA 1.148 57.308 56.100 0.099 0.000 0.960 404 R CB -0.277 30.054 30.300 0.051 0.000 0.856 404 R HN 0.407 nan 8.270 nan 0.000 0.436 405 Q N 0.293 120.149 119.800 0.092 0.000 2.124 405 Q HA -0.120 4.221 4.340 0.002 0.000 0.202 405 Q C 2.108 178.159 176.000 0.085 0.000 0.977 405 Q CA 1.063 56.913 55.803 0.077 0.000 0.850 405 Q CB -0.136 28.630 28.738 0.046 0.000 0.901 405 Q HN 0.210 nan 8.270 nan 0.000 0.429 406 L N -0.277 121.005 121.223 0.099 0.000 2.056 406 L HA -0.123 4.219 4.340 0.002 0.000 0.207 406 L C 1.994 178.943 176.870 0.132 0.000 1.078 406 L CA 1.342 56.240 54.840 0.097 0.000 0.749 406 L CB -1.375 40.738 42.059 0.090 0.000 0.901 406 L HN 0.441 nan 8.230 nan 0.000 0.433 407 W N 0.751 122.068 121.300 0.029 0.000 2.335 407 W HA -0.290 4.371 4.660 0.002 0.000 0.311 407 W C 2.246 178.826 176.519 0.100 0.000 1.213 407 W CA 1.699 59.089 57.345 0.075 0.000 1.274 407 W CB -0.166 29.312 29.460 0.031 0.000 1.148 407 W HN 0.316 nan 8.180 nan 0.000 0.498 408 Q N -0.129 119.723 119.800 0.088 0.000 2.181 408 Q HA -0.196 4.146 4.340 0.002 0.000 0.205 408 Q C 1.933 177.862 176.000 -0.119 0.000 0.980 408 Q CA 1.538 57.328 55.803 -0.021 0.000 0.862 408 Q CB -0.241 28.533 28.738 0.060 0.000 0.905 408 Q HN 0.253 nan 8.270 nan 0.000 0.429 409 R N -0.472 119.973 120.500 -0.091 0.000 2.391 409 R HA 0.261 4.602 4.340 0.002 0.000 0.249 409 R C 0.295 176.474 176.300 -0.202 0.000 0.957 409 R CA 0.449 56.480 56.100 -0.115 0.000 1.093 409 R CB 0.445 30.720 30.300 -0.041 0.000 1.156 409 R HN 0.163 nan 8.270 nan 0.000 0.526 410 A N 0.042 122.648 122.820 -0.357 0.000 2.869 410 A HA -0.148 4.173 4.320 0.002 0.000 0.280 410 A C -0.055 177.422 177.584 -0.179 0.000 1.458 410 A CA 0.637 52.327 52.037 -0.580 0.000 0.776 410 A CB -1.887 16.596 19.000 -0.861 0.000 1.028 410 A HN 0.109 nan 8.150 nan 0.000 0.547 411 V N 0.675 120.576 119.914 -0.022 0.000 2.487 411 V HA 0.545 4.667 4.120 0.002 0.000 0.298 411 V C 0.258 176.441 176.094 0.148 0.000 1.028 411 V CA -0.365 61.977 62.300 0.070 0.000 0.860 411 V CB 1.840 33.705 31.823 0.070 0.000 0.991 411 V HN 0.418 nan 8.190 nan 0.000 0.427 412 I N 6.251 126.917 120.570 0.160 0.000 2.312 412 I HA 0.564 4.735 4.170 0.002 0.000 0.290 412 I C -0.097 176.062 176.117 0.071 0.000 1.008 412 I CA -0.541 60.852 61.300 0.155 0.000 1.226 412 I CB 1.395 39.473 38.000 0.130 0.000 1.371 412 I HN 0.525 nan 8.210 nan 0.000 0.468 413 V N 4.686 124.595 119.914 -0.008 0.000 3.126 413 V HA 0.661 4.782 4.120 0.002 0.000 0.314 413 V C -0.739 175.288 176.094 -0.113 0.000 1.138 413 V CA -0.957 61.273 62.300 -0.116 0.000 1.034 413 V CB 2.307 33.937 31.823 -0.321 0.000 1.075 413 V HN 0.531 nan 8.190 nan 0.000 0.442 414 L N 2.744 123.893 121.223 -0.124 0.000 2.334 414 L HA 0.656 4.997 4.340 0.002 0.000 0.276 414 L C -2.333 174.446 176.870 -0.151 0.000 1.014 414 L CA -1.831 52.955 54.840 -0.090 0.000 0.815 414 L CB 2.726 44.787 42.059 0.004 0.000 1.268 414 L HN 0.553 nan 8.230 nan 0.000 0.428 415 P HA 0.418 nan 4.420 nan 0.000 0.276 415 P C -1.437 175.791 177.300 -0.119 0.000 1.252 415 P CA -0.395 62.622 63.100 -0.139 0.000 0.802 415 P CB 1.753 33.386 31.700 -0.112 0.000 1.035 416 A N -0.025 122.724 122.820 -0.119 0.000 2.594 416 A HA 0.702 5.024 4.320 0.002 0.000 0.295 416 A C 0.201 177.735 177.584 -0.084 0.000 1.071 416 A CA -0.097 51.880 52.037 -0.100 0.000 0.685 416 A CB 0.891 19.829 19.000 -0.103 0.000 1.285 416 A HN 0.850 nan 8.150 nan 0.000 0.405 417 G N 0.269 109.031 108.800 -0.062 0.000 2.578 417 G HA2 0.141 4.102 3.960 0.002 0.000 0.284 417 G HA3 0.141 4.102 3.960 0.002 0.000 0.284 417 G C 1.226 176.105 174.900 -0.035 0.000 1.283 417 G CA 1.260 46.335 45.100 -0.042 0.000 0.944 417 G HN 2.320 nan 8.290 nan 0.000 0.558 418 A N -1.021 121.785 122.820 -0.023 0.000 1.970 418 A HA 0.348 4.669 4.320 0.002 0.000 0.216 418 A C 1.625 179.194 177.584 -0.025 0.000 1.170 418 A CA 2.335 54.363 52.037 -0.015 0.000 0.645 418 A CB -0.119 18.883 19.000 0.003 0.000 0.816 418 A HN 1.516 nan 8.150 nan 0.000 0.447 419 D N -3.037 117.342 120.400 -0.034 0.000 2.602 419 D HA 0.143 4.784 4.640 0.002 0.000 0.265 419 D C -0.204 176.054 176.300 -0.071 0.000 1.454 419 D CA -0.026 53.953 54.000 -0.036 0.000 0.795 419 D CB -0.775 40.024 40.800 -0.003 0.000 1.140 419 D HN -0.010 nan 8.370 nan 0.000 0.486 420 T N 0.322 114.813 114.554 -0.105 0.000 2.867 420 T HA 0.570 4.922 4.350 0.002 0.000 0.282 420 T C -0.238 174.310 174.700 -0.253 0.000 1.000 420 T CA -0.516 61.485 62.100 -0.165 0.000 1.042 420 T CB 2.258 71.051 68.868 -0.124 0.000 0.973 420 T HN -0.104 nan 8.240 nan 0.000 0.465 421 V N 4.889 124.541 119.914 -0.436 0.000 2.417 421 V HA 0.525 4.647 4.120 0.002 0.000 0.291 421 V C 0.262 176.071 176.094 -0.475 0.000 1.024 421 V CA -0.921 61.062 62.300 -0.530 0.000 0.861 421 V CB 1.253 32.581 31.823 -0.824 0.000 0.985 421 V HN 0.798 nan 8.190 nan 0.000 0.436 422 R N 3.493 123.774 120.500 -0.365 0.000 2.664 422 R HA 0.670 5.011 4.340 0.002 0.000 0.286 422 R C -1.712 174.387 176.300 -0.335 0.000 0.967 422 R CA -0.563 55.408 56.100 -0.216 0.000 0.933 422 R CB 1.560 31.805 30.300 -0.092 0.000 1.146 422 R HN 0.383 nan 8.270 nan 0.000 0.468 423 F N 1.533 121.488 119.950 0.009 0.000 2.427 423 F HA 0.461 4.989 4.527 0.002 0.000 0.346 423 F C 0.563 176.383 175.800 0.033 0.000 1.120 423 F CA -0.906 57.117 58.000 0.039 0.000 1.033 423 F CB 1.556 40.596 39.000 0.066 0.000 1.126 423 F HN 0.272 nan 8.300 nan 0.000 0.462 424 R N 3.326 123.922 120.500 0.159 0.000 2.629 424 R HA 0.295 4.636 4.340 0.002 0.000 0.277 424 R C -2.972 173.366 176.300 0.063 0.000 1.637 424 R CA -1.906 54.246 56.100 0.088 0.000 1.663 424 R CB 0.455 30.769 30.300 0.023 0.000 1.228 424 R HN 0.281 nan 8.270 nan 0.000 0.632 425 P HA 0.255 nan 4.420 nan 0.000 0.276 425 P C -2.460 174.841 177.300 0.000 0.000 1.252 425 P CA -1.544 61.586 63.100 0.050 0.000 0.802 425 P CB 0.140 31.889 31.700 0.081 0.000 1.035 426 P HA 0.167 nan 4.420 nan 0.000 0.274 426 P C 1.104 178.381 177.300 -0.039 0.000 1.237 426 P CA -0.171 62.903 63.100 -0.043 0.000 0.793 426 P CB 0.718 32.383 31.700 -0.059 0.000 0.977 427 L N 0.761 121.958 121.223 -0.043 0.000 2.353 427 L HA -0.123 4.219 4.340 0.002 0.000 0.220 427 L C 1.926 178.726 176.870 -0.116 0.000 1.133 427 L CA 1.952 56.756 54.840 -0.060 0.000 0.798 427 L CB -1.224 40.808 42.059 -0.046 0.000 0.922 427 L HN 0.506 nan 8.230 nan 0.000 0.445 428 T N -3.979 110.515 114.554 -0.101 0.000 3.107 428 T HA 0.128 4.479 4.350 0.002 0.000 0.249 428 T C 0.684 175.324 174.700 -0.100 0.000 1.096 428 T CA -0.306 61.725 62.100 -0.115 0.000 1.012 428 T CB -0.213 68.611 68.868 -0.073 0.000 0.977 428 T HN 0.005 nan 8.240 nan 0.000 0.527 429 V N 3.951 123.819 119.914 -0.078 0.000 2.814 429 V HA 0.276 4.398 4.120 0.002 0.000 0.307 429 V C 0.664 176.778 176.094 0.034 0.000 1.089 429 V CA 0.125 62.415 62.300 -0.016 0.000 1.212 429 V CB 0.448 32.282 31.823 0.019 0.000 0.912 429 V HN 0.827 nan 8.190 nan 0.000 0.497 430 S N 3.429 119.177 115.700 0.080 0.000 2.713 430 S HA 0.341 4.812 4.470 0.002 0.000 0.283 430 S C 1.220 175.851 174.600 0.052 0.000 1.161 430 S CA 0.048 58.327 58.200 0.131 0.000 0.999 430 S CB 1.490 64.730 63.200 0.067 0.000 1.039 430 S HN 1.068 nan 8.310 nan 0.000 0.548 431 T N -1.732 112.732 114.554 -0.151 0.000 2.904 431 T HA 0.041 4.393 4.350 0.002 0.000 0.267 431 T C 1.960 176.561 174.700 -0.165 0.000 1.059 431 T CA 0.837 62.675 62.100 -0.437 0.000 1.137 431 T CB -0.933 67.350 68.868 -0.976 0.000 0.879 431 T HN 0.866 nan 8.240 nan 0.000 0.467 432 A N 1.951 124.728 122.820 -0.072 0.000 1.933 432 A HA -0.083 4.238 4.320 0.002 0.000 0.218 432 A C 2.284 179.901 177.584 0.055 0.000 1.175 432 A CA 1.615 53.657 52.037 0.008 0.000 0.628 432 A CB -0.664 18.347 19.000 0.019 0.000 0.814 432 A HN 0.652 nan 8.150 nan 0.000 0.444 433 E N -0.391 119.846 120.200 0.061 0.000 2.072 433 E HA -0.109 4.242 4.350 0.002 0.000 0.191 433 E C 1.832 178.474 176.600 0.070 0.000 0.985 433 E CA 1.089 57.533 56.400 0.073 0.000 0.801 433 E CB -0.258 29.468 29.700 0.043 0.000 0.750 433 E HN 0.689 nan 8.360 nan 0.000 0.452 434 I N 1.629 122.245 120.570 0.076 0.000 2.163 434 I HA -0.289 3.883 4.170 0.002 0.000 0.243 434 I C 1.795 177.985 176.117 0.121 0.000 1.085 434 I CA 1.088 62.451 61.300 0.105 0.000 1.347 434 I CB -0.202 37.897 38.000 0.164 0.000 1.044 434 I HN 0.054 nan 8.210 nan 0.000 0.408 435 D N 1.009 121.495 120.400 0.144 0.000 2.123 435 D HA -0.183 4.458 4.640 0.002 0.000 0.196 435 D C 2.257 178.609 176.300 0.088 0.000 0.992 435 D CA 1.656 55.731 54.000 0.124 0.000 0.833 435 D CB -0.250 40.622 40.800 0.120 0.000 0.954 435 D HN 0.384 nan 8.370 nan 0.000 0.455 436 A N 1.011 123.883 122.820 0.087 0.000 1.933 436 A HA -0.044 4.278 4.320 0.002 0.000 0.218 436 A C 2.324 179.961 177.584 0.089 0.000 1.175 436 A CA 2.190 54.277 52.037 0.083 0.000 0.628 436 A CB -0.645 18.414 19.000 0.098 0.000 0.814 436 A HN 0.243 nan 8.150 nan 0.000 0.444 437 A N -0.058 122.827 122.820 0.107 0.000 1.902 437 A HA -0.042 4.279 4.320 0.002 0.000 0.217 437 A C 1.999 179.678 177.584 0.159 0.000 1.181 437 A CA 1.587 53.718 52.037 0.157 0.000 0.623 437 A CB -0.446 18.691 19.000 0.229 0.000 0.818 437 A HN 0.399 nan 8.150 nan 0.000 0.443 438 I N 0.025 120.657 120.570 0.103 0.000 2.252 438 I HA -0.208 3.964 4.170 0.002 0.000 0.245 438 I C 2.941 179.093 176.117 0.058 0.000 1.102 438 I CA 1.348 62.687 61.300 0.065 0.000 1.385 438 I CB -1.638 36.367 38.000 0.008 0.000 1.064 438 I HN 0.360 nan 8.210 nan 0.000 0.414 439 A N 1.025 123.880 122.820 0.058 0.000 1.908 439 A HA -0.166 4.156 4.320 0.002 0.000 0.218 439 A C 2.581 180.193 177.584 0.046 0.000 1.181 439 A CA 2.141 54.208 52.037 0.049 0.000 0.627 439 A CB -0.766 18.262 19.000 0.046 0.000 0.818 439 A HN 0.420 nan 8.150 nan 0.000 0.445 440 A N -0.647 122.208 122.820 0.058 0.000 1.902 440 A HA 0.012 4.333 4.320 0.002 0.000 0.217 440 A C 2.239 179.853 177.584 0.049 0.000 1.181 440 A CA 1.761 53.829 52.037 0.051 0.000 0.623 440 A CB -0.941 18.096 19.000 0.061 0.000 0.818 440 A HN 0.396 nan 8.150 nan 0.000 0.443 441 V N 0.000 119.959 119.914 0.075 0.000 2.295 441 V HA -0.292 3.830 4.120 0.002 0.000 0.246 441 V C 2.627 178.682 176.094 -0.064 0.000 1.049 441 V CA 2.296 64.629 62.300 0.054 0.000 1.024 441 V CB -0.843 31.059 31.823 0.131 0.000 0.648 441 V HN 0.526 nan 8.190 nan 0.000 0.447 442 R N -0.022 120.449 120.500 -0.048 0.000 2.103 442 R HA -0.174 4.167 4.340 0.002 0.000 0.242 442 R C 2.578 178.870 176.300 -0.014 0.000 1.142 442 R CA 1.904 57.978 56.100 -0.043 0.000 0.960 442 R CB -0.512 29.826 30.300 0.063 0.000 0.858 442 R HN 0.491 nan 8.270 nan 0.000 0.439 443 S N 0.341 116.047 115.700 0.009 0.000 2.368 443 S HA -0.126 4.346 4.470 0.002 0.000 0.225 443 S C 2.003 176.603 174.600 0.001 0.000 1.030 443 S CA 1.243 59.454 58.200 0.018 0.000 0.999 443 S CB -0.101 63.110 63.200 0.018 0.000 0.844 443 S HN 0.494 nan 8.310 nan 0.000 0.459 444 A N 1.165 123.976 122.820 -0.015 0.000 1.968 444 A HA 0.134 4.455 4.320 0.002 0.000 0.217 444 A C 2.081 179.637 177.584 -0.046 0.000 1.169 444 A CA 0.742 52.771 52.037 -0.013 0.000 0.638 444 A CB -0.589 18.415 19.000 0.007 0.000 0.812 444 A HN 0.421 nan 8.150 nan 0.000 0.446 445 L N -0.421 120.720 121.223 -0.137 0.000 2.012 445 L HA -0.136 4.205 4.340 0.002 0.000 0.210 445 L C -0.471 176.345 176.870 -0.090 0.000 1.073 445 L CA 1.629 56.332 54.840 -0.229 0.000 0.748 445 L CB -1.354 40.286 42.059 -0.698 0.000 0.891 445 L HN 0.240 nan 8.230 nan 0.000 0.431 446 P HA -0.136 nan 4.420 nan 0.000 0.218 446 P C 1.833 179.161 177.300 0.048 0.000 1.148 446 P CA 1.103 64.254 63.100 0.084 0.000 0.822 446 P CB 0.043 31.811 31.700 0.113 0.000 0.784 447 V N 0.016 119.946 119.914 0.026 0.000 2.358 447 V HA -0.178 3.943 4.120 0.002 0.000 0.246 447 V C 2.551 178.658 176.094 0.022 0.000 1.047 447 V CA 2.021 64.335 62.300 0.024 0.000 1.035 447 V CB -1.450 30.385 31.823 0.020 0.000 0.658 447 V HN 0.084 nan 8.190 nan 0.000 0.452 448 V N 0.332 120.254 119.914 0.014 0.000 2.453 448 V HA -0.077 4.044 4.120 0.002 0.000 0.247 448 V C 1.682 177.792 176.094 0.026 0.000 1.048 448 V CA 1.646 63.956 62.300 0.017 0.000 1.049 448 V CB -1.110 30.721 31.823 0.014 0.000 0.672 448 V HN 0.704 nan 8.190 nan 0.000 0.457 449 T N 0.000 114.574 114.554 0.033 0.000 3.816 449 T HA 0.000 4.351 4.350 0.002 0.000 0.228 449 T CA 0.000 62.129 62.100 0.049 0.000 1.349 449 T CB 0.000 68.915 68.868 0.078 0.000 0.612 449 T HN 0.000 nan 8.240 nan 0.000 0.658