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 2nlz_1_A DATA FIRST_RESID 3 DATA SEQUENCE VMFDPQSYPY PSRRNVVYAK NGMVATSQPL AAQAGLDILK AGGNAIDAAI DATA SEQUENCE ATATALTVLE PTSNGIGSDA FALVWTKGKL HGLNGSGRAP MSLTMEAVKA DATA SEQUENCE KGYEQELPPY GVIPVTVPGA PGAWAELAKM YGNLPLAASL APAIRYAEEG DATA SEQUENCE YPVTPTLAKY WKAAYDRVKT EWTDDVYQPW FDTFAPKGRA PRVGEVWRSQ DATA SEQUENCE GHADTLRSIA ESNGESFYRG ELADQIHAFF DKHGGYLTKE DLACYRPEWV DATA SEQUENCE EPISIDYRGY RVWEIPPNGQ GLVALEALNI VKGFEFYHKD TVDTYHKQIE DATA SEQUENCE AMKLAFVDGM KYVTEPSDMS VSVEQLLSDE YATERRKEIG EQALTPEPGT DATA SEQUENCE PXXXXTVYLA TADGDGNMVS FIQSNYMGFG SGVVVPGTGI AMQNRGHNFS DATA SEQUENCE LDPNHDNALK PGKRTYHTII PGFLTKNDQP IGPFGVMGGF MQPQGHMQVM DATA SEQUENCE MNTIDFGLNP QAALDAPRWQ WTNGKQVQVE PTFPVDIAQA LVRRGHKIQV DATA SEQUENCE VLDEGAFGRG QIIWRDPTTG VLAGGTEPRT DGQVAAWEGH 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.126 176.094 0.053 0.000 1.182 3 V CA 0.000 62.315 62.300 0.025 0.000 1.235 3 V CB 0.000 31.835 31.823 0.021 0.000 1.184 4 M N 3.324 122.962 119.600 0.064 0.000 2.424 4 M HA 0.706 5.186 4.480 0.000 0.000 0.243 4 M C 0.020 176.441 176.300 0.202 0.000 0.874 4 M CA -0.381 55.002 55.300 0.138 0.000 1.442 4 M CB 1.729 34.364 32.600 0.058 0.000 1.345 4 M HN 0.873 nan 8.290 nan 0.000 0.767 5 F N 0.695 120.637 119.950 -0.013 0.000 2.928 5 F HA 0.510 5.038 4.527 0.000 0.000 0.337 5 F C -1.073 174.714 175.800 -0.021 0.000 1.259 5 F CA -1.121 56.870 58.000 -0.014 0.000 1.267 5 F CB -0.251 38.744 39.000 -0.008 0.000 0.986 5 F HN 0.233 nan 8.300 nan 0.000 0.507 6 D N -0.393 119.909 120.400 -0.164 0.000 2.722 6 D HA 0.347 4.988 4.640 0.000 0.000 0.231 6 D C -3.000 173.220 176.300 -0.133 0.000 1.218 6 D CA -0.838 53.068 54.000 -0.157 0.000 0.753 6 D CB 1.660 42.316 40.800 -0.240 0.000 1.471 6 D HN 0.105 nan 8.370 nan 0.000 0.455 7 P HA 0.397 nan 4.420 nan 0.000 0.339 7 P C -0.385 176.815 177.300 -0.168 0.000 1.267 7 P CA -0.286 62.740 63.100 -0.123 0.000 0.801 7 P CB 1.116 32.757 31.700 -0.097 0.000 1.860 8 Q N -0.267 119.442 119.800 -0.151 0.000 2.182 8 Q HA 0.296 4.636 4.340 0.000 0.000 0.270 8 Q C -0.383 175.480 176.000 -0.227 0.000 0.861 8 Q CA -0.166 55.551 55.803 -0.144 0.000 1.098 8 Q CB 0.133 28.861 28.738 -0.016 0.000 1.188 8 Q HN 0.326 nan 8.270 nan 0.000 0.464 9 S N 0.027 115.511 115.700 -0.359 0.000 2.480 9 S HA 0.370 4.840 4.470 0.000 0.000 0.286 9 S C -1.109 173.183 174.600 -0.513 0.000 1.180 9 S CA -0.333 57.693 58.200 -0.289 0.000 1.075 9 S CB 0.401 63.490 63.200 -0.184 0.000 0.996 9 S HN 0.333 nan 8.310 nan 0.000 0.487 10 Y N 4.793 125.059 120.300 -0.057 0.000 2.705 10 Y HA 0.359 4.909 4.550 0.000 0.000 0.355 10 Y C -1.770 174.045 175.900 -0.141 0.000 1.039 10 Y CA -1.594 56.471 58.100 -0.057 0.000 1.233 10 Y CB 1.023 39.474 38.460 -0.015 0.000 1.103 10 Y HN 0.603 nan 8.280 nan 0.000 0.624 11 P HA -0.056 nan 4.420 nan 0.000 0.226 11 P C -0.761 176.203 177.300 -0.560 0.000 1.153 11 P CA 1.185 63.974 63.100 -0.518 0.000 0.777 11 P CB 0.256 31.398 31.700 -0.930 0.000 0.794 12 Y N -0.097 120.256 120.300 0.087 0.000 2.509 12 Y HA 0.490 5.040 4.550 0.000 0.000 0.341 12 Y C -1.921 174.020 175.900 0.068 0.000 1.038 12 Y CA -3.364 54.775 58.100 0.066 0.000 1.089 12 Y CB -0.146 38.348 38.460 0.057 0.000 1.241 12 Y HN -0.206 nan 8.280 nan 0.000 0.468 13 P HA 0.292 nan 4.420 nan 0.000 0.278 13 P C -0.570 176.793 177.300 0.105 0.000 1.238 13 P CA -0.317 62.850 63.100 0.112 0.000 0.794 13 P CB 1.923 33.671 31.700 0.079 0.000 0.955 14 S N 0.681 116.420 115.700 0.065 0.000 2.766 14 S HA 0.706 5.176 4.470 0.000 0.000 0.307 14 S C -0.478 174.140 174.600 0.029 0.000 1.121 14 S CA -0.704 57.527 58.200 0.052 0.000 0.980 14 S CB 1.083 64.307 63.200 0.040 0.000 1.159 14 S HN 0.547 nan 8.310 nan 0.000 0.546 15 R N 0.742 121.257 120.500 0.026 0.000 2.628 15 R HA 0.534 4.874 4.340 0.000 0.000 0.288 15 R C -1.499 174.810 176.300 0.016 0.000 0.980 15 R CA -0.420 55.692 56.100 0.020 0.000 0.891 15 R CB 1.079 31.394 30.300 0.024 0.000 1.188 15 R HN 0.595 nan 8.270 nan 0.000 0.450 16 R N 3.257 123.763 120.500 0.011 0.000 2.337 16 R HA 0.395 4.735 4.340 0.000 0.000 0.319 16 R C -0.817 175.494 176.300 0.019 0.000 0.954 16 R CA -1.033 55.073 56.100 0.010 0.000 0.840 16 R CB 1.267 31.564 30.300 -0.005 0.000 1.164 16 R HN 0.580 nan 8.270 nan 0.000 0.472 17 N N 1.104 119.823 118.700 0.032 0.000 2.525 17 N HA 0.079 4.820 4.740 0.000 0.000 0.271 17 N C -0.161 175.382 175.510 0.055 0.000 1.194 17 N CA -0.283 52.799 53.050 0.053 0.000 0.964 17 N CB 1.047 39.574 38.487 0.066 0.000 1.126 17 N HN 0.188 nan 8.380 nan 0.000 0.452 18 V N 1.920 121.880 119.914 0.077 0.000 2.557 18 V HA -0.037 4.083 4.120 0.000 0.000 0.301 18 V C 0.579 176.720 176.094 0.078 0.000 1.026 18 V CA -0.097 62.223 62.300 0.033 0.000 1.137 18 V CB 0.300 32.141 31.823 0.030 0.000 0.917 18 V HN 0.256 nan 8.190 nan 0.000 0.484 19 V N 6.502 126.397 119.914 -0.032 0.000 2.530 19 V HA 0.291 4.411 4.120 0.000 0.000 0.282 19 V C -0.391 175.653 176.094 -0.083 0.000 1.048 19 V CA -0.184 62.125 62.300 0.016 0.000 0.997 19 V CB 0.802 32.619 31.823 -0.010 0.000 0.987 19 V HN 0.698 nan 8.190 nan 0.000 0.477 20 Y N 2.754 123.062 120.300 0.012 0.000 2.429 20 Y HA 0.764 5.315 4.550 0.000 0.000 0.342 20 Y C 0.352 176.262 175.900 0.017 0.000 1.004 20 Y CA -0.276 57.834 58.100 0.018 0.000 1.075 20 Y CB 2.117 40.588 38.460 0.017 0.000 1.214 20 Y HN 0.759 nan 8.280 nan 0.000 0.455 21 A N 2.176 125.085 122.820 0.149 0.000 2.567 21 A HA 0.744 5.064 4.320 0.000 0.000 0.289 21 A C -0.382 177.257 177.584 0.092 0.000 1.177 21 A CA -0.660 51.437 52.037 0.099 0.000 0.694 21 A CB 1.982 21.029 19.000 0.078 0.000 1.292 21 A HN 0.604 nan 8.150 nan 0.000 0.425 22 K N -0.600 119.832 120.400 0.055 0.000 2.585 22 K HA 0.190 4.511 4.320 0.000 0.000 0.198 22 K C 1.017 177.649 176.600 0.054 0.000 1.403 22 K CA 0.806 57.123 56.287 0.051 0.000 1.021 22 K CB 0.074 32.588 32.500 0.024 0.000 1.558 22 K HN 0.715 nan 8.250 nan 0.000 0.524 23 N N 0.018 118.724 118.700 0.010 0.000 2.373 23 N HA 0.074 4.814 4.740 0.000 0.000 0.181 23 N C 0.155 175.826 175.510 0.267 0.000 1.082 23 N CA 0.146 53.216 53.050 0.033 0.000 0.885 23 N CB 0.969 39.295 38.487 -0.269 0.000 0.977 23 N HN 0.093 nan 8.380 nan 0.000 0.462 24 G N 0.753 109.714 108.800 0.269 0.000 2.443 24 G HA2 0.415 4.375 3.960 0.000 0.000 0.303 24 G HA3 0.415 4.375 3.960 0.000 0.000 0.303 24 G C -1.870 173.169 174.900 0.231 0.000 1.613 24 G CA -0.688 44.620 45.100 0.348 0.000 0.879 24 G HN -0.031 nan 8.290 nan 0.000 0.632 25 M N 1.711 121.399 119.600 0.147 0.000 2.413 25 M HA 0.685 5.165 4.480 0.000 0.000 0.287 25 M C -1.766 174.558 176.300 0.038 0.000 1.186 25 M CA -0.743 54.607 55.300 0.083 0.000 0.927 25 M CB 2.428 35.055 32.600 0.044 0.000 1.715 25 M HN 0.479 nan 8.290 nan 0.000 0.478 26 V N 2.980 122.901 119.914 0.013 0.000 2.638 26 V HA 0.916 5.036 4.120 0.000 0.000 0.306 26 V C -0.848 175.223 176.094 -0.038 0.000 1.052 26 V CA -0.642 61.643 62.300 -0.025 0.000 0.885 26 V CB 1.766 33.567 31.823 -0.037 0.000 0.999 26 V HN 0.901 nan 8.190 nan 0.000 0.424 27 A N 3.043 125.827 122.820 -0.061 0.000 2.357 27 A HA 0.896 5.216 4.320 0.000 0.000 0.295 27 A C -0.432 177.107 177.584 -0.075 0.000 1.121 27 A CA -0.356 51.645 52.037 -0.061 0.000 0.742 27 A CB 1.882 20.843 19.000 -0.064 0.000 1.181 27 A HN 0.828 nan 8.150 nan 0.000 0.454 28 T N -0.118 114.400 114.554 -0.059 0.000 2.671 28 T HA 0.476 4.826 4.350 0.000 0.000 0.300 28 T C 0.887 175.565 174.700 -0.036 0.000 1.238 28 T CA 0.466 62.531 62.100 -0.059 0.000 1.020 28 T CB 1.096 69.912 68.868 -0.087 0.000 1.503 28 T HN 1.276 nan 8.240 nan 0.000 0.497 29 S N 0.381 116.061 115.700 -0.033 0.000 2.605 29 S HA 0.346 4.817 4.470 0.000 0.000 0.217 29 S C 0.261 174.832 174.600 -0.049 0.000 0.958 29 S CA -0.065 58.118 58.200 -0.028 0.000 0.919 29 S CB -0.047 63.142 63.200 -0.019 0.000 0.780 29 S HN 0.481 nan 8.310 nan 0.000 0.507 30 Q N 0.973 120.731 119.800 -0.071 0.000 2.295 30 Q HA 0.469 4.810 4.340 0.000 0.000 0.259 30 Q C -2.562 173.376 176.000 -0.104 0.000 0.966 30 Q CA -1.928 53.815 55.803 -0.099 0.000 0.763 30 Q CB 2.201 30.850 28.738 -0.148 0.000 1.283 30 Q HN -0.003 nan 8.270 nan 0.000 0.445 31 P HA -0.108 nan 4.420 nan 0.000 0.220 31 P C 0.536 177.793 177.300 -0.071 0.000 1.148 31 P CA 1.092 64.156 63.100 -0.059 0.000 0.803 31 P CB 0.315 31.994 31.700 -0.034 0.000 0.782 32 L N -1.578 119.563 121.223 -0.137 0.000 2.313 32 L HA 0.022 4.362 4.340 0.000 0.000 0.214 32 L C 2.433 179.225 176.870 -0.131 0.000 1.119 32 L CA 0.938 55.677 54.840 -0.168 0.000 0.809 32 L CB -0.969 40.829 42.059 -0.435 0.000 0.933 32 L HN -0.069 nan 8.230 nan 0.000 0.449 33 A N 0.383 123.106 122.820 -0.163 0.000 1.898 33 A HA -0.089 4.231 4.320 0.000 0.000 0.216 33 A C 2.568 180.110 177.584 -0.070 0.000 1.181 33 A CA 1.485 53.458 52.037 -0.107 0.000 0.620 33 A CB -0.589 18.332 19.000 -0.132 0.000 0.819 33 A HN 0.342 nan 8.150 nan 0.000 0.442 34 A N -0.934 121.846 122.820 -0.067 0.000 1.940 34 A HA -0.213 4.108 4.320 0.000 0.000 0.219 34 A C 2.133 179.698 177.584 -0.031 0.000 1.176 34 A CA 2.124 54.130 52.037 -0.050 0.000 0.631 34 A CB -0.496 18.481 19.000 -0.039 0.000 0.814 34 A HN 0.523 nan 8.150 nan 0.000 0.446 35 Q N -0.236 119.559 119.800 -0.009 0.000 2.084 35 Q HA -0.042 4.298 4.340 0.000 0.000 0.202 35 Q C 2.122 178.124 176.000 0.005 0.000 0.978 35 Q CA 2.024 57.837 55.803 0.017 0.000 0.844 35 Q CB -0.618 28.157 28.738 0.061 0.000 0.898 35 Q HN 0.581 nan 8.270 nan 0.000 0.426 36 A N -0.255 122.582 122.820 0.029 0.000 1.873 36 A HA -0.152 4.168 4.320 0.000 0.000 0.218 36 A C 2.306 179.835 177.584 -0.092 0.000 1.193 36 A CA 1.902 53.931 52.037 -0.014 0.000 0.629 36 A CB -1.558 17.456 19.000 0.023 0.000 0.826 36 A HN 0.553 nan 8.150 nan 0.000 0.447 37 G N -0.852 107.887 108.800 -0.101 0.000 2.432 37 G HA2 -0.078 3.882 3.960 0.000 0.000 0.219 37 G HA3 -0.078 3.882 3.960 0.000 0.000 0.219 37 G C 1.380 176.181 174.900 -0.166 0.000 1.135 37 G CA 1.153 46.174 45.100 -0.133 0.000 0.767 37 G HN 0.346 nan 8.290 nan 0.000 0.550 38 L N 0.998 122.137 121.223 -0.140 0.000 2.056 38 L HA 0.024 4.364 4.340 0.000 0.000 0.207 38 L C 2.304 178.989 176.870 -0.309 0.000 1.078 38 L CA 1.530 56.252 54.840 -0.197 0.000 0.749 38 L CB -0.530 41.489 42.059 -0.067 0.000 0.901 38 L HN 0.090 nan 8.230 nan 0.000 0.433 39 D N -0.887 119.395 120.400 -0.195 0.000 2.178 39 D HA -0.160 4.480 4.640 0.000 0.000 0.201 39 D C 2.249 178.409 176.300 -0.234 0.000 0.980 39 D CA 1.055 54.943 54.000 -0.187 0.000 0.842 39 D CB 0.046 40.772 40.800 -0.122 0.000 0.948 39 D HN 0.200 nan 8.370 nan 0.000 0.472 40 I N 0.206 120.634 120.570 -0.236 0.000 2.406 40 I HA -0.160 4.010 4.170 0.000 0.000 0.249 40 I C 2.023 177.952 176.117 -0.314 0.000 1.122 40 I CA 0.442 61.607 61.300 -0.225 0.000 1.431 40 I CB -0.123 37.771 38.000 -0.178 0.000 1.087 40 I HN -0.045 nan 8.210 nan 0.000 0.424 41 L N 0.348 121.293 121.223 -0.462 0.000 2.042 41 L HA -0.237 4.103 4.340 0.000 0.000 0.210 41 L C 2.405 178.624 176.870 -1.086 0.000 1.076 41 L CA 1.764 56.141 54.840 -0.771 0.000 0.749 41 L CB -1.074 40.411 42.059 -0.956 0.000 0.893 41 L HN 0.193 nan 8.230 nan 0.000 0.432 42 K N -0.918 118.886 120.400 -0.994 0.000 2.044 42 K HA -0.132 4.189 4.320 0.000 0.000 0.210 42 K C 1.602 178.086 176.600 -0.194 0.000 1.049 42 K CA 1.488 57.476 56.287 -0.500 0.000 0.927 42 K CB -0.245 32.101 32.500 -0.256 0.000 0.713 42 K HN 0.327 nan 8.250 nan 0.000 0.443 43 A N -0.094 122.611 122.820 -0.192 0.000 2.265 43 A HA 0.209 4.529 4.320 0.000 0.000 0.213 43 A C 1.017 178.557 177.584 -0.073 0.000 1.255 43 A CA 0.795 52.773 52.037 -0.097 0.000 0.862 43 A CB -0.531 18.412 19.000 -0.095 0.000 0.852 43 A HN 0.510 nan 8.150 nan 0.000 0.484 44 G N -2.025 106.724 108.800 -0.085 0.000 2.157 44 G HA2 -0.045 3.915 3.960 0.000 0.000 0.239 44 G HA3 -0.045 3.915 3.960 0.000 0.000 0.239 44 G C 0.679 175.555 174.900 -0.041 0.000 0.982 44 G CA 0.134 45.221 45.100 -0.023 0.000 0.650 44 G HN 1.404 nan 8.290 nan 0.000 0.527 45 G N 0.139 108.877 108.800 -0.104 0.000 2.539 45 G HA2 0.552 4.512 3.960 0.000 0.000 0.258 45 G HA3 0.552 4.512 3.960 0.000 0.000 0.258 45 G C 0.343 175.209 174.900 -0.057 0.000 1.202 45 G CA 0.402 45.454 45.100 -0.081 0.000 0.851 45 G HN 0.952 nan 8.290 nan 0.000 0.556 46 N N -0.506 118.190 118.700 -0.006 0.000 2.538 46 N HA 0.469 5.209 4.740 0.000 0.000 0.292 46 N C 1.403 176.928 175.510 0.024 0.000 1.262 46 N CA -0.031 53.040 53.050 0.035 0.000 0.976 46 N CB 0.670 39.198 38.487 0.069 0.000 1.161 46 N HN 0.444 nan 8.380 nan 0.000 0.598 47 A N -0.172 122.687 122.820 0.064 0.000 1.948 47 A HA -0.147 4.174 4.320 0.000 0.000 0.220 47 A C 1.998 179.610 177.584 0.046 0.000 1.177 47 A CA 1.529 53.604 52.037 0.063 0.000 0.636 47 A CB -1.154 17.914 19.000 0.113 0.000 0.815 47 A HN 0.632 nan 8.150 nan 0.000 0.449 48 I N 0.398 121.010 120.570 0.069 0.000 2.142 48 I HA -0.231 3.939 4.170 0.000 0.000 0.240 48 I C 2.034 178.156 176.117 0.008 0.000 1.078 48 I CA 1.692 63.037 61.300 0.076 0.000 1.343 48 I CB -0.502 37.584 38.000 0.144 0.000 1.046 48 I HN 0.271 nan 8.210 nan 0.000 0.405 49 D N 1.042 121.440 120.400 -0.003 0.000 2.127 49 D HA -0.275 4.366 4.640 0.000 0.000 0.190 49 D C 2.302 178.537 176.300 -0.109 0.000 1.000 49 D CA 2.015 55.983 54.000 -0.053 0.000 0.839 49 D CB -0.434 40.334 40.800 -0.054 0.000 0.955 49 D HN 0.388 nan 8.370 nan 0.000 0.446 50 A N 1.473 124.230 122.820 -0.105 0.000 1.927 50 A HA -0.199 4.121 4.320 0.000 0.000 0.220 50 A C 2.400 179.884 177.584 -0.166 0.000 1.185 50 A CA 2.980 54.938 52.037 -0.133 0.000 0.639 50 A CB -0.895 18.041 19.000 -0.106 0.000 0.820 50 A HN 0.293 nan 8.150 nan 0.000 0.451 51 A N -0.073 122.652 122.820 -0.158 0.000 1.873 51 A HA -0.162 4.158 4.320 0.000 0.000 0.218 51 A C 2.144 179.454 177.584 -0.457 0.000 1.193 51 A CA 1.762 53.643 52.037 -0.260 0.000 0.629 51 A CB -0.725 18.166 19.000 -0.181 0.000 0.826 51 A HN 0.547 nan 8.150 nan 0.000 0.447 52 I N -0.242 120.091 120.570 -0.394 0.000 2.226 52 I HA -0.286 3.884 4.170 0.000 0.000 0.245 52 I C 2.989 178.823 176.117 -0.473 0.000 1.100 52 I CA 1.013 62.026 61.300 -0.477 0.000 1.374 52 I CB -0.514 37.322 38.000 -0.273 0.000 1.057 52 I HN 0.370 nan 8.210 nan 0.000 0.413 53 A N 0.951 123.581 122.820 -0.317 0.000 1.859 53 A HA -0.273 4.047 4.320 0.000 0.000 0.217 53 A C 2.426 179.855 177.584 -0.258 0.000 1.198 53 A CA 2.957 54.839 52.037 -0.260 0.000 0.629 53 A CB -1.390 17.496 19.000 -0.189 0.000 0.830 53 A HN 0.433 nan 8.150 nan 0.000 0.446 54 T N 0.410 114.818 114.554 -0.243 0.000 2.720 54 T HA -0.049 4.301 4.350 0.000 0.000 0.268 54 T C 2.185 176.740 174.700 -0.241 0.000 1.037 54 T CA 1.853 63.829 62.100 -0.207 0.000 1.144 54 T CB -0.602 68.155 68.868 -0.185 0.000 0.864 54 T HN 0.655 nan 8.240 nan 0.000 0.444 55 A N 2.084 124.680 122.820 -0.374 0.000 1.877 55 A HA -0.142 4.179 4.320 0.000 0.000 0.216 55 A C 2.678 180.069 177.584 -0.321 0.000 1.186 55 A CA 2.338 54.179 52.037 -0.326 0.000 0.620 55 A CB -1.379 17.253 19.000 -0.613 0.000 0.822 55 A HN 0.641 nan 8.150 nan 0.000 0.443 56 T N -1.917 112.263 114.554 -0.625 0.000 2.867 56 T HA 0.110 4.461 4.350 0.000 0.000 0.268 56 T C 1.923 176.476 174.700 -0.245 0.000 1.057 56 T CA 1.492 63.206 62.100 -0.644 0.000 1.136 56 T CB -0.529 67.831 68.868 -0.845 0.000 0.874 56 T HN 0.556 nan 8.240 nan 0.000 0.466 57 A N 1.763 124.476 122.820 -0.179 0.000 1.902 57 A HA 0.169 4.489 4.320 0.000 0.000 0.217 57 A C 2.369 179.910 177.584 -0.070 0.000 1.181 57 A CA 1.189 53.196 52.037 -0.051 0.000 0.623 57 A CB -0.935 18.055 19.000 -0.017 0.000 0.818 57 A HN 0.520 nan 8.150 nan 0.000 0.443 58 L N -0.967 120.203 121.223 -0.089 0.000 2.191 58 L HA -0.132 4.208 4.340 0.000 0.000 0.212 58 L C 2.646 179.507 176.870 -0.014 0.000 1.103 58 L CA 1.456 56.253 54.840 -0.072 0.000 0.769 58 L CB -0.593 41.441 42.059 -0.042 0.000 0.908 58 L HN 0.327 nan 8.230 nan 0.000 0.438 59 T N -1.048 113.537 114.554 0.053 0.000 2.881 59 T HA -0.117 4.233 4.350 0.000 0.000 0.270 59 T C 1.716 176.551 174.700 0.225 0.000 1.068 59 T CA 1.198 63.402 62.100 0.174 0.000 1.131 59 T CB 0.119 69.133 68.868 0.244 0.000 0.871 59 T HN 0.102 nan 8.240 nan 0.000 0.479 60 V N 0.032 120.040 119.914 0.156 0.000 2.788 60 V HA 0.212 4.332 4.120 0.000 0.000 0.241 60 V C 2.171 178.347 176.094 0.137 0.000 1.083 60 V CA 0.632 63.059 62.300 0.212 0.000 1.103 60 V CB -0.152 31.814 31.823 0.238 0.000 0.800 60 V HN 0.353 nan 8.190 nan 0.000 0.476 61 L N -0.027 121.093 121.223 -0.172 0.000 2.313 61 L HA 0.100 4.440 4.340 0.000 0.000 0.214 61 L C 1.280 177.998 176.870 -0.253 0.000 1.119 61 L CA 1.164 55.681 54.840 -0.538 0.000 0.809 61 L CB 0.143 41.845 42.059 -0.595 0.000 0.933 61 L HN 0.337 nan 8.230 nan 0.000 0.449 62 E N -0.200 119.903 120.200 -0.162 0.000 3.386 62 E HA 0.164 4.515 4.350 0.000 0.000 0.236 62 E C -2.065 174.340 176.600 -0.325 0.000 1.227 62 E CA -1.484 54.800 56.400 -0.194 0.000 0.970 62 E CB 1.016 30.616 29.700 -0.166 0.000 1.343 62 E HN -0.013 nan 8.360 nan 0.000 0.397 63 P HA -0.051 nan 4.420 nan 0.000 0.241 63 P C 1.096 177.527 177.300 -1.449 0.000 1.191 63 P CA 0.746 63.385 63.100 -0.769 0.000 0.771 63 P CB 0.138 31.305 31.700 -0.888 0.000 0.929 64 T N -5.282 108.492 114.554 -1.299 0.000 3.118 64 T HA 0.092 4.443 4.350 0.000 0.000 0.260 64 T C 1.301 175.541 174.700 -0.767 0.000 1.139 64 T CA 0.671 61.977 62.100 -1.323 0.000 1.085 64 T CB -0.573 67.903 68.868 -0.653 0.000 0.934 64 T HN -0.093 nan 8.240 nan 0.000 0.518 65 S N 0.839 116.211 115.700 -0.547 0.000 2.900 65 S HA 0.378 4.848 4.470 0.000 0.000 0.253 65 S C -0.158 174.331 174.600 -0.184 0.000 1.029 65 S CA -0.775 57.237 58.200 -0.313 0.000 1.096 65 S CB 0.098 63.150 63.200 -0.246 0.000 1.067 65 S HN 0.656 nan 8.310 nan 0.000 0.610 66 N N -0.593 117.982 118.700 -0.207 0.000 3.185 66 N HA 0.530 5.270 4.740 0.000 0.000 0.238 66 N C -1.492 174.030 175.510 0.019 0.000 1.451 66 N CA -0.397 52.624 53.050 -0.048 0.000 0.888 66 N CB 1.574 40.045 38.487 -0.026 0.000 1.413 66 N HN 0.270 nan 8.380 nan 0.000 0.511 67 G N 0.095 108.984 108.800 0.147 0.000 2.523 67 G HA2 0.314 4.275 3.960 0.000 0.000 0.291 67 G HA3 0.314 4.275 3.960 0.000 0.000 0.291 67 G C 0.409 175.468 174.900 0.266 0.000 1.450 67 G CA -0.648 44.598 45.100 0.243 0.000 0.790 67 G HN 0.460 nan 8.290 nan 0.000 0.496 68 I N 0.448 121.184 120.570 0.277 0.000 2.394 68 I HA -0.013 4.157 4.170 0.000 0.000 0.251 68 I C 2.378 178.504 176.117 0.016 0.000 1.136 68 I CA 1.498 62.916 61.300 0.196 0.000 1.425 68 I CB -0.204 37.903 38.000 0.178 0.000 1.079 68 I HN 0.559 nan 8.210 nan 0.000 0.425 69 G N 1.073 109.970 108.800 0.163 0.000 3.295 69 G HA2 0.083 4.043 3.960 0.000 0.000 0.231 69 G HA3 0.083 4.043 3.960 0.000 0.000 0.231 69 G C 0.392 175.368 174.900 0.128 0.000 1.277 69 G CA -0.094 45.126 45.100 0.200 0.000 1.013 69 G HN 0.206 nan 8.290 nan 0.000 0.509 70 S N 0.224 115.959 115.700 0.058 0.000 2.669 70 S HA 0.453 4.923 4.470 0.000 0.000 0.270 70 S C -0.077 174.502 174.600 -0.036 0.000 1.225 70 S CA -0.646 57.589 58.200 0.058 0.000 0.991 70 S CB 1.243 64.504 63.200 0.102 0.000 0.987 70 S HN 0.572 nan 8.310 nan 0.000 0.552 71 D N -0.455 119.948 120.400 0.005 0.000 2.442 71 D HA 0.794 5.435 4.640 0.000 0.000 0.254 71 D C -0.605 175.639 176.300 -0.093 0.000 1.069 71 D CA -0.851 53.087 54.000 -0.104 0.000 1.017 71 D CB 1.001 41.722 40.800 -0.131 0.000 1.172 71 D HN 0.596 nan 8.370 nan 0.000 0.561 72 A N -0.791 121.864 122.820 -0.275 0.000 2.594 72 A HA 0.761 5.081 4.320 0.000 0.000 0.291 72 A C -1.739 175.514 177.584 -0.552 0.000 1.105 72 A CA -0.864 50.995 52.037 -0.297 0.000 0.694 72 A CB 1.141 20.008 19.000 -0.221 0.000 1.291 72 A HN 0.448 nan 8.150 nan 0.000 0.410 73 F N -0.782 118.862 119.950 -0.510 0.000 2.631 73 F HA 0.748 5.275 4.527 0.000 0.000 0.308 73 F C 0.291 175.832 175.800 -0.431 0.000 1.097 73 F CA 0.044 57.810 58.000 -0.389 0.000 0.952 73 F CB 2.704 41.531 39.000 -0.288 0.000 1.307 73 F HN 0.969 nan 8.300 nan 0.000 0.450 74 A N 2.490 125.304 122.820 -0.010 0.000 2.549 74 A HA 0.850 5.170 4.320 0.000 0.000 0.297 74 A C -2.096 175.591 177.584 0.171 0.000 1.061 74 A CA -0.601 51.490 52.037 0.090 0.000 0.690 74 A CB 1.599 20.736 19.000 0.229 0.000 1.287 74 A HN 0.736 nan 8.150 nan 0.000 0.402 75 L N 2.150 123.504 121.223 0.219 0.000 2.319 75 L HA 0.631 4.971 4.340 0.000 0.000 0.281 75 L C -0.622 176.372 176.870 0.207 0.000 1.005 75 L CA -0.884 54.074 54.840 0.198 0.000 0.828 75 L CB 1.667 43.857 42.059 0.219 0.000 1.227 75 L HN 0.583 nan 8.230 nan 0.000 0.415 76 V N 4.218 124.218 119.914 0.142 0.000 2.448 76 V HA 0.464 4.585 4.120 0.000 0.000 0.295 76 V C -1.169 174.899 176.094 -0.044 0.000 1.025 76 V CA -0.306 62.063 62.300 0.115 0.000 0.859 76 V CB 1.939 33.852 31.823 0.150 0.000 0.988 76 V HN 0.778 nan 8.190 nan 0.000 0.431 77 W N 6.933 128.085 121.300 -0.246 0.000 2.316 77 W HA 0.669 5.330 4.660 0.000 0.000 0.308 77 W C -0.758 175.676 176.519 -0.142 0.000 1.106 77 W CA -0.073 57.087 57.345 -0.307 0.000 1.262 77 W CB 1.428 30.680 29.460 -0.347 0.000 1.233 77 W HN 0.787 nan 8.180 nan 0.000 0.447 78 T N 6.290 120.579 114.554 -0.443 0.000 2.942 78 T HA 0.180 4.531 4.350 0.000 0.000 0.327 78 T C -0.453 174.028 174.700 -0.365 0.000 1.360 78 T CA -0.544 61.392 62.100 -0.275 0.000 1.055 78 T CB 0.653 69.362 68.868 -0.265 0.000 1.261 78 T HN 0.415 nan 8.240 nan 0.000 0.485 79 K N 2.503 122.793 120.400 -0.184 0.000 3.451 79 K HA -0.210 4.110 4.320 0.000 0.000 0.273 79 K C 0.919 177.340 176.600 -0.297 0.000 0.944 79 K CA 1.090 57.288 56.287 -0.149 0.000 0.734 79 K CB -2.364 30.087 32.500 -0.082 0.000 1.437 79 K HN 1.818 nan 8.250 nan 0.000 0.454 80 G N -0.378 108.204 108.800 -0.363 0.000 2.187 80 G HA2 -0.378 3.582 3.960 0.000 0.000 0.261 80 G HA3 -0.378 3.582 3.960 0.000 0.000 0.261 80 G C 0.013 174.319 174.900 -0.989 0.000 1.000 80 G CA 1.265 46.136 45.100 -0.382 0.000 0.718 80 G HN 0.565 nan 8.290 nan 0.000 0.519 81 K N -0.994 118.480 120.400 -1.543 0.000 2.501 81 K HA 0.721 5.041 4.320 0.000 0.000 0.252 81 K C -0.821 174.785 176.600 -1.657 0.000 0.934 81 K CA -0.998 54.452 56.287 -1.395 0.000 0.797 81 K CB 1.413 33.406 32.500 -0.845 0.000 1.270 81 K HN 0.258 nan 8.250 nan 0.000 0.431 82 L N 4.758 125.197 121.223 -1.307 0.000 2.292 82 L HA 0.466 4.806 4.340 0.000 0.000 0.284 82 L C -0.967 175.390 176.870 -0.855 0.000 1.065 82 L CA 0.213 54.520 54.840 -0.889 0.000 0.806 82 L CB 0.513 42.116 42.059 -0.759 0.000 1.175 82 L HN 0.698 nan 8.230 nan 0.000 0.431 83 H N 3.326 122.211 119.070 -0.307 0.000 2.622 83 H HA 0.604 5.160 4.556 0.001 0.000 0.363 83 H C -0.381 175.023 175.328 0.127 0.000 1.151 83 H CA -0.688 55.314 56.048 -0.077 0.000 1.184 83 H CB 1.966 31.654 29.762 -0.124 0.000 1.643 83 H HN 0.775 nan 8.280 nan 0.000 0.531 84 G N 1.715 110.730 108.800 0.358 0.000 2.416 84 G HA2 0.427 4.387 3.960 0.000 0.000 0.324 84 G HA3 0.427 4.387 3.960 0.000 0.000 0.324 84 G C -1.249 173.802 174.900 0.251 0.000 1.194 84 G CA -0.461 44.805 45.100 0.276 0.000 0.922 84 G HN 0.340 nan 8.290 nan 0.000 0.467 85 L N 2.437 123.668 121.223 0.014 0.000 2.305 85 L HA 0.503 4.843 4.340 0.000 0.000 0.284 85 L C -0.435 176.255 176.870 -0.301 0.000 1.013 85 L CA -1.030 53.575 54.840 -0.392 0.000 0.819 85 L CB 1.627 43.279 42.059 -0.680 0.000 1.227 85 L HN 0.455 nan 8.230 nan 0.000 0.417 86 N N 3.528 122.015 118.700 -0.354 0.000 2.645 86 N HA 0.288 5.029 4.740 0.000 0.000 0.233 86 N C 0.488 175.610 175.510 -0.646 0.000 1.058 86 N CA 0.057 52.811 53.050 -0.495 0.000 0.942 86 N CB 1.172 39.542 38.487 -0.194 0.000 1.210 86 N HN 0.832 nan 8.380 nan 0.000 0.512 87 G N 1.223 109.496 108.800 -0.878 0.000 3.496 87 G HA2 -0.025 3.935 3.960 0.000 0.000 0.273 87 G HA3 -0.025 3.935 3.960 0.000 0.000 0.273 87 G C 0.226 174.799 174.900 -0.545 0.000 1.279 87 G CA -0.294 44.490 45.100 -0.527 0.000 1.041 87 G HN 0.461 nan 8.290 nan 0.000 0.539 88 S N 0.138 115.432 115.700 -0.677 0.000 2.475 88 S HA 0.611 5.081 4.470 0.000 0.000 0.281 88 S C 0.792 175.338 174.600 -0.090 0.000 1.198 88 S CA -0.245 57.707 58.200 -0.412 0.000 1.063 88 S CB 0.832 63.813 63.200 -0.364 0.000 0.972 88 S HN 0.359 nan 8.310 nan 0.000 0.486 89 G N 4.115 112.848 108.800 -0.112 0.000 2.448 89 G HA2 0.481 4.441 3.960 0.000 0.000 0.285 89 G HA3 0.481 4.441 3.960 0.000 0.000 0.285 89 G C -0.002 174.934 174.900 0.059 0.000 1.176 89 G CA -0.932 44.120 45.100 -0.080 0.000 0.852 89 G HN 0.893 nan 8.290 nan 0.000 0.530 90 R N 0.319 120.886 120.500 0.111 0.000 2.541 90 R HA 0.675 5.015 4.340 0.000 0.000 0.263 90 R C 0.120 176.508 176.300 0.147 0.000 1.112 90 R CA -0.372 55.817 56.100 0.149 0.000 1.170 90 R CB 0.500 30.881 30.300 0.137 0.000 1.167 90 R HN 0.484 nan 8.270 nan 0.000 0.582 91 A N 1.586 124.519 122.820 0.187 0.000 2.407 91 A HA 0.346 4.666 4.320 0.000 0.000 0.248 91 A C -2.065 175.552 177.584 0.054 0.000 1.082 91 A CA -1.435 50.682 52.037 0.133 0.000 0.785 91 A CB -0.340 18.672 19.000 0.019 0.000 1.020 91 A HN 0.520 nan 8.150 nan 0.000 0.489 92 P HA 0.032 nan 4.420 nan 0.000 0.267 92 P C 0.651 177.967 177.300 0.026 0.000 1.200 92 P CA 0.014 63.143 63.100 0.048 0.000 0.772 92 P CB 0.304 32.063 31.700 0.099 0.000 0.855 93 M N 2.515 122.141 119.600 0.043 0.000 2.476 93 M HA -0.092 4.388 4.480 0.000 0.000 0.262 93 M C 1.292 177.613 176.300 0.034 0.000 1.079 93 M CA 1.485 56.803 55.300 0.029 0.000 1.104 93 M CB -0.832 31.789 32.600 0.036 0.000 1.409 93 M HN 0.321 nan 8.290 nan 0.000 0.467 94 S N -1.488 114.262 115.700 0.084 0.000 2.556 94 S HA 0.200 4.670 4.470 0.000 0.000 0.216 94 S C 0.620 175.243 174.600 0.039 0.000 0.970 94 S CA -0.402 57.878 58.200 0.133 0.000 0.912 94 S CB -0.383 62.969 63.200 0.254 0.000 0.790 94 S HN 0.418 nan 8.310 nan 0.000 0.504 95 L N 4.028 125.170 121.223 -0.136 0.000 2.334 95 L HA 0.357 4.697 4.340 0.000 0.000 0.286 95 L C -0.022 176.665 176.870 -0.304 0.000 1.108 95 L CA -0.100 54.475 54.840 -0.440 0.000 0.875 95 L CB 0.527 42.351 42.059 -0.392 0.000 1.246 95 L HN 0.415 nan 8.230 nan 0.000 0.439 96 T N -0.059 114.336 114.554 -0.265 0.000 2.950 96 T HA 0.280 4.631 4.350 0.000 0.000 0.288 96 T C 1.042 175.640 174.700 -0.170 0.000 1.035 96 T CA -0.812 61.180 62.100 -0.180 0.000 1.028 96 T CB 1.952 70.762 68.868 -0.096 0.000 1.109 96 T HN 0.515 nan 8.240 nan 0.000 0.514 97 M N 0.960 120.480 119.600 -0.132 0.000 2.117 97 M HA -0.100 4.380 4.480 0.000 0.000 0.262 97 M C 2.298 178.565 176.300 -0.054 0.000 1.065 97 M CA 1.734 56.976 55.300 -0.095 0.000 1.114 97 M CB -0.187 32.370 32.600 -0.072 0.000 1.361 97 M HN 0.861 nan 8.290 nan 0.000 0.408 98 E N -0.331 119.844 120.200 -0.041 0.000 2.358 98 E HA -0.065 4.285 4.350 0.000 0.000 0.195 98 E C 1.658 178.257 176.600 -0.002 0.000 1.010 98 E CA 1.122 57.513 56.400 -0.016 0.000 0.856 98 E CB -0.391 29.303 29.700 -0.010 0.000 0.795 98 E HN 0.522 nan 8.360 nan 0.000 0.504 99 A N 1.654 124.466 122.820 -0.014 0.000 1.929 99 A HA -0.003 4.317 4.320 0.000 0.000 0.216 99 A C 2.335 179.950 177.584 0.052 0.000 1.176 99 A CA 1.135 53.190 52.037 0.029 0.000 0.628 99 A CB -0.478 18.538 19.000 0.027 0.000 0.816 99 A HN 0.183 nan 8.150 nan 0.000 0.444 100 V N -0.174 119.743 119.914 0.004 0.000 2.788 100 V HA -0.078 4.042 4.120 0.000 0.000 0.251 100 V C 2.350 178.500 176.094 0.092 0.000 1.068 100 V CA 2.410 64.754 62.300 0.074 0.000 1.090 100 V CB -0.221 31.619 31.823 0.028 0.000 0.710 100 V HN 0.623 nan 8.190 nan 0.000 0.467 101 K N 1.664 122.088 120.400 0.041 0.000 2.097 101 K HA -0.016 4.304 4.320 0.000 0.000 0.206 101 K C 1.793 178.402 176.600 0.015 0.000 1.049 101 K CA 2.106 58.411 56.287 0.029 0.000 0.933 101 K CB -0.681 31.826 32.500 0.011 0.000 0.717 101 K HN 0.461 nan 8.250 nan 0.000 0.442 102 A N -0.053 122.779 122.820 0.020 0.000 2.235 102 A HA 0.032 4.353 4.320 0.000 0.000 0.208 102 A C 1.635 179.219 177.584 -0.000 0.000 1.172 102 A CA 0.864 52.907 52.037 0.010 0.000 0.786 102 A CB -0.257 18.755 19.000 0.021 0.000 0.804 102 A HN 0.322 nan 8.150 nan 0.000 0.479 103 K N -1.816 118.584 120.400 0.001 0.000 2.358 103 K HA 0.306 4.626 4.320 0.000 0.000 0.200 103 K C 1.079 177.544 176.600 -0.226 0.000 1.030 103 K CA 0.618 56.883 56.287 -0.036 0.000 1.097 103 K CB 0.247 32.798 32.500 0.085 0.000 0.862 103 K HN 0.492 nan 8.250 nan 0.000 0.534 104 G N 0.144 108.809 108.800 -0.226 0.000 2.541 104 G HA2 -0.221 3.740 3.960 0.000 0.000 0.201 104 G HA3 -0.221 3.740 3.960 0.000 0.000 0.201 104 G C -0.474 174.249 174.900 -0.294 0.000 1.026 104 G CA -0.525 44.370 45.100 -0.341 0.000 0.687 104 G HN 0.190 nan 8.290 nan 0.000 0.492 105 Y N 2.307 122.624 120.300 0.028 0.000 2.316 105 Y HA 0.503 5.053 4.550 0.000 0.000 0.331 105 Y C 1.440 177.344 175.900 0.007 0.000 1.083 105 Y CA 0.429 58.542 58.100 0.022 0.000 1.206 105 Y CB 0.963 39.443 38.460 0.032 0.000 1.195 105 Y HN 0.492 nan 8.280 nan 0.000 0.497 106 E N 0.135 120.416 120.200 0.135 0.000 2.633 106 E HA 0.006 4.356 4.350 0.000 0.000 0.222 106 E C 1.081 177.707 176.600 0.044 0.000 0.899 106 E CA 0.059 56.500 56.400 0.068 0.000 1.292 106 E CB 0.144 29.865 29.700 0.035 0.000 1.257 106 E HN 0.610 nan 8.360 nan 0.000 0.626 107 Q N 2.323 122.154 119.800 0.053 0.000 1.990 107 Q HA 0.020 4.360 4.340 0.000 0.000 0.195 107 Q C 0.135 176.126 176.000 -0.015 0.000 0.977 107 Q CA 1.758 57.571 55.803 0.017 0.000 0.828 107 Q CB 0.355 29.107 28.738 0.023 0.000 0.896 107 Q HN 0.398 nan 8.270 nan 0.000 0.447 108 E N -0.444 119.748 120.200 -0.013 0.000 2.356 108 E HA 0.425 4.776 4.350 0.000 0.000 0.275 108 E C -0.917 175.635 176.600 -0.080 0.000 0.904 108 E CA -0.885 55.461 56.400 -0.090 0.000 0.757 108 E CB 1.111 30.703 29.700 -0.180 0.000 1.232 108 E HN 0.264 nan 8.360 nan 0.000 0.442 109 L N -0.774 120.374 121.223 -0.125 0.000 2.464 109 L HA 0.561 4.901 4.340 0.000 0.000 0.264 109 L C -2.142 174.633 176.870 -0.158 0.000 1.199 109 L CA -1.958 52.787 54.840 -0.158 0.000 0.818 109 L CB -0.310 41.703 42.059 -0.076 0.000 1.102 109 L HN 0.386 nan 8.230 nan 0.000 0.473 110 P HA 0.155 nan 4.420 nan 0.000 0.272 110 P C -2.271 174.992 177.300 -0.062 0.000 1.223 110 P CA -1.428 61.499 63.100 -0.288 0.000 0.784 110 P CB 0.301 31.716 31.700 -0.474 0.000 0.923 111 P HA -0.059 nan 4.420 nan 0.000 0.221 111 P C -0.111 176.774 177.300 -0.693 0.000 1.150 111 P CA 1.511 64.167 63.100 -0.741 0.000 0.800 111 P CB 0.067 31.062 31.700 -1.174 0.000 0.787 112 Y N -1.284 119.034 120.300 0.030 0.000 2.602 112 Y HA 0.570 5.121 4.550 0.001 0.000 0.342 112 Y C 1.208 177.132 175.900 0.040 0.000 1.029 112 Y CA -0.371 57.750 58.100 0.035 0.000 1.080 112 Y CB 1.797 40.287 38.460 0.050 0.000 1.284 112 Y HN 0.082 nan 8.280 nan 0.000 0.485 113 G N -0.472 108.435 108.800 0.179 0.000 2.526 113 G HA2 -0.149 3.812 3.960 0.000 0.000 0.250 113 G HA3 -0.149 3.812 3.960 0.000 0.000 0.250 113 G C 0.240 175.120 174.900 -0.032 0.000 1.289 113 G CA -0.373 44.705 45.100 -0.037 0.000 0.947 113 G HN 1.218 nan 8.290 nan 0.000 0.517 114 V N -1.342 118.522 119.914 -0.085 0.000 3.217 114 V HA 0.208 4.329 4.120 0.000 0.000 0.264 114 V C 2.601 178.850 176.094 0.258 0.000 1.135 114 V CA 2.181 64.493 62.300 0.020 0.000 1.142 114 V CB -0.721 31.013 31.823 -0.149 0.000 0.754 114 V HN 0.657 nan 8.190 nan 0.000 0.484 115 I N 1.297 121.989 120.570 0.204 0.000 2.233 115 I HA -0.012 4.159 4.170 0.000 0.000 0.243 115 I C -0.006 176.228 176.117 0.195 0.000 1.093 115 I CA 1.343 62.794 61.300 0.253 0.000 1.380 115 I CB -1.187 36.925 38.000 0.187 0.000 1.067 115 I HN 0.340 nan 8.210 nan 0.000 0.413 116 P HA 0.063 nan 4.420 nan 0.000 0.253 116 P C 0.082 177.502 177.300 0.200 0.000 1.260 116 P CA 0.592 63.795 63.100 0.172 0.000 0.800 116 P CB -0.054 31.743 31.700 0.162 0.000 1.162 117 V N 1.972 122.029 119.914 0.239 0.000 2.415 117 V HA 0.111 4.231 4.120 0.000 0.000 0.267 117 V C 1.226 177.421 176.094 0.168 0.000 1.042 117 V CA 0.185 62.630 62.300 0.241 0.000 1.000 117 V CB 0.076 32.129 31.823 0.384 0.000 1.015 117 V HN 0.242 nan 8.190 nan 0.000 0.478 118 T N 1.834 116.471 114.554 0.138 0.000 2.927 118 T HA 0.590 4.941 4.350 0.000 0.000 0.281 118 T C 0.065 174.793 174.700 0.047 0.000 0.998 118 T CA -0.716 61.448 62.100 0.107 0.000 1.019 118 T CB 1.698 70.647 68.868 0.134 0.000 1.061 118 T HN 0.762 nan 8.240 nan 0.000 0.518 119 V N -0.634 119.287 119.914 0.011 0.000 2.509 119 V HA 0.299 4.419 4.120 0.000 0.000 0.297 119 V C -2.644 173.402 176.094 -0.080 0.000 1.014 119 V CA -1.717 60.561 62.300 -0.037 0.000 1.127 119 V CB -0.860 30.943 31.823 -0.034 0.000 0.925 119 V HN 0.710 nan 8.190 nan 0.000 0.480 120 P HA 0.197 nan 4.420 nan 0.000 0.260 120 P C 0.946 178.139 177.300 -0.178 0.000 1.207 120 P CA 0.647 63.746 63.100 -0.002 0.000 0.780 120 P CB 0.716 32.537 31.700 0.201 0.000 0.789 121 G N 2.944 111.515 108.800 -0.383 0.000 2.986 121 G HA2 0.079 4.040 3.960 0.000 0.000 0.213 121 G HA3 0.079 4.040 3.960 0.000 0.000 0.213 121 G C 1.353 176.052 174.900 -0.334 0.000 1.156 121 G CA 0.599 45.314 45.100 -0.642 0.000 0.763 121 G HN 0.478 nan 8.290 nan 0.000 0.547 122 A N 1.938 124.505 122.820 -0.422 0.000 1.877 122 A HA 0.103 4.423 4.320 0.000 0.000 0.216 122 A C 0.608 177.420 177.584 -1.286 0.000 1.186 122 A CA 1.581 53.230 52.037 -0.645 0.000 0.620 122 A CB -0.995 17.717 19.000 -0.481 0.000 0.822 122 A HN 0.311 nan 8.150 nan 0.000 0.443 123 P HA -0.145 nan 4.420 nan 0.000 0.215 123 P C 1.756 178.861 177.300 -0.325 0.000 1.157 123 P CA 1.918 64.278 63.100 -1.233 0.000 0.874 123 P CB -0.390 30.574 31.700 -1.227 0.000 0.790 124 G N -0.207 108.665 108.800 0.119 0.000 2.422 124 G HA2 -0.249 3.712 3.960 0.000 0.000 0.218 124 G HA3 -0.249 3.712 3.960 0.000 0.000 0.218 124 G C 1.653 176.562 174.900 0.016 0.000 1.146 124 G CA 0.948 46.165 45.100 0.196 0.000 0.769 124 G HN 0.332 nan 8.290 nan 0.000 0.547 125 A N 0.465 123.240 122.820 -0.076 0.000 1.902 125 A HA -0.034 4.286 4.320 0.000 0.000 0.217 125 A C 2.195 179.858 177.584 0.132 0.000 1.181 125 A CA 1.603 53.604 52.037 -0.061 0.000 0.623 125 A CB -0.622 18.319 19.000 -0.098 0.000 0.818 125 A HN 0.459 nan 8.150 nan 0.000 0.443 126 W N -0.312 121.040 121.300 0.088 0.000 2.333 126 W HA -0.128 4.532 4.660 0.000 0.000 0.316 126 W C 2.849 179.393 176.519 0.041 0.000 1.215 126 W CA 0.888 58.260 57.345 0.045 0.000 1.278 126 W CB -1.529 27.932 29.460 0.003 0.000 1.154 126 W HN 0.442 nan 8.180 nan 0.000 0.486 127 A N 0.181 123.170 122.820 0.280 0.000 1.877 127 A HA -0.200 4.120 4.320 0.000 0.000 0.216 127 A C 2.024 179.688 177.584 0.133 0.000 1.186 127 A CA 1.812 53.958 52.037 0.181 0.000 0.620 127 A CB -0.733 18.362 19.000 0.159 0.000 0.822 127 A HN 0.174 nan 8.150 nan 0.000 0.443 128 E N -0.712 119.553 120.200 0.109 0.000 2.150 128 E HA -0.114 4.236 4.350 0.000 0.000 0.193 128 E C 1.903 178.642 176.600 0.231 0.000 0.985 128 E CA 0.600 57.073 56.400 0.120 0.000 0.814 128 E CB -0.219 29.493 29.700 0.020 0.000 0.752 128 E HN 0.420 nan 8.360 nan 0.000 0.466 129 L N 0.792 122.154 121.223 0.230 0.000 2.027 129 L HA -0.080 4.260 4.340 0.000 0.000 0.206 129 L C 2.270 179.282 176.870 0.238 0.000 1.074 129 L CA 1.860 56.893 54.840 0.322 0.000 0.745 129 L CB -1.250 40.980 42.059 0.285 0.000 0.898 129 L HN -0.008 nan 8.230 nan 0.000 0.433 130 A N -0.556 122.359 122.820 0.158 0.000 1.851 130 A HA -0.305 4.015 4.320 0.000 0.000 0.216 130 A C 2.436 180.055 177.584 0.058 0.000 1.195 130 A CA 2.173 54.267 52.037 0.095 0.000 0.622 130 A CB -0.660 18.386 19.000 0.076 0.000 0.831 130 A HN 0.427 nan 8.150 nan 0.000 0.444 131 K N -1.503 118.927 120.400 0.050 0.000 2.044 131 K HA -0.208 4.113 4.320 0.000 0.000 0.210 131 K C 2.033 178.583 176.600 -0.083 0.000 1.049 131 K CA 2.177 58.463 56.287 -0.002 0.000 0.927 131 K CB -0.241 32.266 32.500 0.013 0.000 0.713 131 K HN 0.397 nan 8.250 nan 0.000 0.443 132 M N -1.247 118.282 119.600 -0.118 0.000 2.216 132 M HA -0.026 4.454 4.480 0.000 0.000 0.264 132 M C 0.701 176.609 176.300 -0.653 0.000 1.080 132 M CA 1.479 56.490 55.300 -0.482 0.000 1.153 132 M CB 0.372 32.581 32.600 -0.652 0.000 1.356 132 M HN 0.194 nan 8.290 nan 0.000 0.432 133 Y N -1.601 118.693 120.300 -0.009 0.000 2.563 133 Y HA 0.478 5.028 4.550 0.000 0.000 0.250 133 Y C 1.012 176.914 175.900 0.003 0.000 1.126 133 Y CA -0.523 57.558 58.100 -0.032 0.000 1.231 133 Y CB -0.354 38.083 38.460 -0.038 0.000 1.288 133 Y HN 0.076 nan 8.280 nan 0.000 0.537 134 G N 0.025 108.898 108.800 0.121 0.000 2.528 134 G HA2 0.161 4.121 3.960 0.000 0.000 0.289 134 G HA3 0.161 4.121 3.960 0.000 0.000 0.289 134 G C 0.433 175.357 174.900 0.040 0.000 1.192 134 G CA -0.320 44.826 45.100 0.077 0.000 0.921 134 G HN 0.073 nan 8.290 nan 0.000 0.512 135 N N -1.187 117.529 118.700 0.025 0.000 2.414 135 N HA 0.116 4.856 4.740 0.000 0.000 0.177 135 N C 0.575 176.085 175.510 0.000 0.000 1.062 135 N CA 0.244 53.302 53.050 0.013 0.000 0.890 135 N CB 0.179 38.674 38.487 0.014 0.000 1.070 135 N HN 0.335 nan 8.380 nan 0.000 0.454 136 L N 1.943 123.162 121.223 -0.007 0.000 2.334 136 L HA 0.502 4.842 4.340 0.000 0.000 0.272 136 L C -2.054 174.810 176.870 -0.011 0.000 1.020 136 L CA -1.897 52.933 54.840 -0.017 0.000 0.812 136 L CB 1.215 43.253 42.059 -0.035 0.000 1.264 136 L HN -0.105 nan 8.230 nan 0.000 0.439 137 P HA 0.026 nan 4.420 nan 0.000 0.272 137 P C 0.586 177.882 177.300 -0.007 0.000 1.230 137 P CA -0.537 62.561 63.100 -0.003 0.000 0.788 137 P CB 1.188 32.887 31.700 -0.003 0.000 0.949 138 L N 2.401 123.629 121.223 0.009 0.000 2.127 138 L HA -0.189 4.151 4.340 0.000 0.000 0.211 138 L C 2.460 179.321 176.870 -0.016 0.000 1.089 138 L CA 2.287 57.132 54.840 0.008 0.000 0.757 138 L CB -1.689 40.400 42.059 0.051 0.000 0.899 138 L HN 0.531 nan 8.230 nan 0.000 0.434 139 A N -1.437 121.378 122.820 -0.008 0.000 2.067 139 A HA -0.001 4.320 4.320 0.000 0.000 0.219 139 A C 2.394 179.955 177.584 -0.039 0.000 1.158 139 A CA 1.406 53.432 52.037 -0.018 0.000 0.661 139 A CB -0.682 18.314 19.000 -0.006 0.000 0.801 139 A HN 0.470 nan 8.150 nan 0.000 0.452 140 A N 0.314 123.108 122.820 -0.043 0.000 1.855 140 A HA -0.016 4.305 4.320 0.000 0.000 0.213 140 A C 2.472 180.007 177.584 -0.082 0.000 1.195 140 A CA 1.950 53.953 52.037 -0.058 0.000 0.610 140 A CB -0.920 18.049 19.000 -0.051 0.000 0.837 140 A HN 0.917 nan 8.150 nan 0.000 0.444 141 S N 0.085 115.733 115.700 -0.087 0.000 2.453 141 S HA -0.003 4.467 4.470 0.000 0.000 0.231 141 S C 1.293 175.800 174.600 -0.154 0.000 1.005 141 S CA 1.146 59.274 58.200 -0.120 0.000 0.949 141 S CB -0.539 62.592 63.200 -0.116 0.000 0.774 141 S HN 0.822 nan 8.310 nan 0.000 0.510 142 L N -1.857 119.282 121.223 -0.140 0.000 2.769 142 L HA 0.774 5.115 4.340 0.000 0.000 0.240 142 L C 1.764 178.562 176.870 -0.120 0.000 1.163 142 L CA 0.133 54.874 54.840 -0.165 0.000 0.962 142 L CB -0.362 41.568 42.059 -0.215 0.000 1.258 142 L HN 0.111 nan 8.230 nan 0.000 0.513 143 A N 1.002 123.757 122.820 -0.109 0.000 1.930 143 A HA 0.097 4.417 4.320 0.000 0.000 0.217 143 A C 0.064 177.557 177.584 -0.151 0.000 1.175 143 A CA 1.457 53.430 52.037 -0.107 0.000 0.627 143 A CB -1.556 17.388 19.000 -0.094 0.000 0.815 143 A HN 0.466 nan 8.150 nan 0.000 0.443 144 P HA -0.083 nan 4.420 nan 0.000 0.217 144 P C 1.711 178.833 177.300 -0.297 0.000 1.150 144 P CA 1.785 64.694 63.100 -0.319 0.000 0.832 144 P CB -0.113 31.439 31.700 -0.247 0.000 0.787 145 A N -0.571 122.193 122.820 -0.092 0.000 1.940 145 A HA -0.189 4.131 4.320 0.000 0.000 0.219 145 A C 2.202 179.811 177.584 0.042 0.000 1.176 145 A CA 1.520 53.580 52.037 0.039 0.000 0.631 145 A CB -1.646 17.328 19.000 -0.043 0.000 0.814 145 A HN 0.126 nan 8.150 nan 0.000 0.446 146 I N -1.323 119.232 120.570 -0.026 0.000 2.252 146 I HA -0.219 3.951 4.170 0.000 0.000 0.245 146 I C 2.707 178.810 176.117 -0.024 0.000 1.102 146 I CA 1.386 62.683 61.300 -0.005 0.000 1.385 146 I CB -0.334 37.652 38.000 -0.023 0.000 1.064 146 I HN 0.331 nan 8.210 nan 0.000 0.414 147 R N 0.474 120.907 120.500 -0.111 0.000 2.091 147 R HA -0.216 4.124 4.340 0.000 0.000 0.238 147 R C 2.402 178.656 176.300 -0.076 0.000 1.136 147 R CA 1.979 57.988 56.100 -0.151 0.000 0.959 147 R CB -0.402 29.724 30.300 -0.291 0.000 0.856 147 R HN 0.372 nan 8.270 nan 0.000 0.437 148 Y N -0.366 119.949 120.300 0.024 0.000 2.242 148 Y HA -0.146 4.404 4.550 0.000 0.000 0.291 148 Y C 2.487 178.453 175.900 0.111 0.000 1.137 148 Y CA 0.553 58.698 58.100 0.076 0.000 1.181 148 Y CB -0.103 38.387 38.460 0.050 0.000 0.989 148 Y HN 0.250 nan 8.280 nan 0.000 0.527 149 A N 0.287 123.237 122.820 0.217 0.000 1.898 149 A HA -0.204 4.116 4.320 0.000 0.000 0.216 149 A C 1.983 179.564 177.584 -0.004 0.000 1.181 149 A CA 1.835 53.937 52.037 0.107 0.000 0.620 149 A CB -0.512 18.567 19.000 0.132 0.000 0.819 149 A HN 0.465 nan 8.150 nan 0.000 0.442 150 E N -0.721 119.485 120.200 0.009 0.000 2.072 150 E HA -0.145 4.205 4.350 0.000 0.000 0.190 150 E C 2.012 178.592 176.600 -0.032 0.000 0.982 150 E CA 1.260 57.644 56.400 -0.028 0.000 0.803 150 E CB -0.052 29.635 29.700 -0.021 0.000 0.755 150 E HN 0.739 nan 8.360 nan 0.000 0.453 151 E N -0.451 119.754 120.200 0.009 0.000 2.190 151 E HA 0.113 4.463 4.350 0.000 0.000 0.191 151 E C 0.609 177.227 176.600 0.030 0.000 0.978 151 E CA 0.353 56.765 56.400 0.019 0.000 0.839 151 E CB 0.582 30.305 29.700 0.039 0.000 0.787 151 E HN 0.223 nan 8.360 nan 0.000 0.473 152 G N 0.516 109.367 108.800 0.086 0.000 2.707 152 G HA2 -0.169 3.791 3.960 0.000 0.000 0.686 152 G HA3 -0.169 3.791 3.960 0.000 0.000 0.686 152 G C -1.090 173.948 174.900 0.229 0.000 1.315 152 G CA -0.408 44.733 45.100 0.070 0.000 0.832 152 G HN 0.236 nan 8.290 nan 0.000 0.573 153 Y N -2.181 118.190 120.300 0.118 0.000 2.534 153 Y HA 0.824 5.375 4.550 0.001 0.000 0.345 153 Y C -2.643 173.314 175.900 0.095 0.000 1.031 153 Y CA -2.618 55.540 58.100 0.097 0.000 1.022 153 Y CB 1.693 40.182 38.460 0.049 0.000 1.292 153 Y HN 0.607 nan 8.280 nan 0.000 0.459 154 P HA 0.134 nan 4.420 nan 0.000 0.275 154 P C -0.643 176.750 177.300 0.156 0.000 1.227 154 P CA -0.181 62.967 63.100 0.081 0.000 0.781 154 P CB 1.927 33.673 31.700 0.077 0.000 0.906 155 V N 3.709 123.656 119.914 0.055 0.000 2.406 155 V HA 0.172 4.292 4.120 0.000 0.000 0.272 155 V C 1.298 177.448 176.094 0.093 0.000 1.043 155 V CA -0.168 62.193 62.300 0.102 0.000 0.915 155 V CB 0.641 32.440 31.823 -0.041 0.000 0.988 155 V HN 0.724 nan 8.190 nan 0.000 0.466 156 T N 3.671 118.305 114.554 0.134 0.000 2.899 156 T HA 0.239 4.589 4.350 0.000 0.000 0.295 156 T C -1.578 173.177 174.700 0.092 0.000 1.033 156 T CA -1.504 60.654 62.100 0.098 0.000 1.084 156 T CB 1.268 70.194 68.868 0.096 0.000 0.979 156 T HN 0.419 nan 8.240 nan 0.000 0.532 157 P HA -0.120 nan 4.420 nan 0.000 0.216 157 P C 1.619 178.967 177.300 0.079 0.000 1.154 157 P CA 1.381 64.517 63.100 0.060 0.000 0.865 157 P CB -0.263 31.472 31.700 0.059 0.000 0.789 158 T N -0.219 114.400 114.554 0.108 0.000 2.701 158 T HA -0.132 4.218 4.350 0.000 0.000 0.263 158 T C 1.715 176.554 174.700 0.232 0.000 1.040 158 T CA 0.992 63.181 62.100 0.148 0.000 1.147 158 T CB -1.044 67.922 68.868 0.164 0.000 0.865 158 T HN 0.008 nan 8.240 nan 0.000 0.426 159 L N 1.588 122.944 121.223 0.221 0.000 2.042 159 L HA 0.027 4.367 4.340 0.000 0.000 0.210 159 L C 2.615 179.681 176.870 0.327 0.000 1.076 159 L CA 1.837 56.842 54.840 0.274 0.000 0.749 159 L CB -1.016 41.197 42.059 0.255 0.000 0.893 159 L HN 0.244 nan 8.230 nan 0.000 0.432 160 A N -0.550 122.400 122.820 0.217 0.000 1.908 160 A HA -0.274 4.046 4.320 0.000 0.000 0.218 160 A C 2.463 180.133 177.584 0.144 0.000 1.181 160 A CA 2.037 54.164 52.037 0.150 0.000 0.627 160 A CB -0.691 18.335 19.000 0.043 0.000 0.818 160 A HN 0.512 nan 8.150 nan 0.000 0.445 161 K N -1.248 119.192 120.400 0.068 0.000 2.009 161 K HA -0.205 4.115 4.320 0.000 0.000 0.210 161 K C 1.836 178.407 176.600 -0.048 0.000 1.049 161 K CA 2.066 58.317 56.287 -0.061 0.000 0.929 161 K CB -0.386 31.976 32.500 -0.231 0.000 0.714 161 K HN 0.588 nan 8.250 nan 0.000 0.440 162 Y N -1.259 119.113 120.300 0.120 0.000 2.373 162 Y HA -0.196 4.354 4.550 0.000 0.000 0.293 162 Y C 2.248 178.277 175.900 0.215 0.000 1.129 162 Y CA 0.660 58.824 58.100 0.107 0.000 1.226 162 Y CB -0.155 38.322 38.460 0.028 0.000 1.000 162 Y HN 0.320 nan 8.280 nan 0.000 0.549 163 W N 1.434 122.867 121.300 0.221 0.000 2.418 163 W HA -0.114 4.547 4.660 0.001 0.000 0.292 163 W C 1.737 178.362 176.519 0.177 0.000 1.213 163 W CA 1.416 58.898 57.345 0.228 0.000 1.283 163 W CB -0.250 29.269 29.460 0.099 0.000 1.119 163 W HN 0.025 nan 8.180 nan 0.000 0.542 164 K N -0.243 120.374 120.400 0.362 0.000 2.155 164 K HA -0.064 4.256 4.320 0.000 0.000 0.203 164 K C 2.135 178.863 176.600 0.213 0.000 1.052 164 K CA 1.126 57.562 56.287 0.248 0.000 0.948 164 K CB -0.243 32.331 32.500 0.122 0.000 0.728 164 K HN 0.003 nan 8.250 nan 0.000 0.448 165 A N 1.439 124.350 122.820 0.151 0.000 1.902 165 A HA -0.103 4.218 4.320 0.000 0.000 0.217 165 A C 2.311 179.920 177.584 0.042 0.000 1.181 165 A CA 1.847 53.926 52.037 0.070 0.000 0.623 165 A CB -0.504 18.522 19.000 0.043 0.000 0.818 165 A HN 0.317 nan 8.150 nan 0.000 0.443 166 A N -1.972 120.922 122.820 0.123 0.000 2.015 166 A HA -0.014 4.307 4.320 0.000 0.000 0.219 166 A C 2.061 179.565 177.584 -0.134 0.000 1.163 166 A CA 1.435 53.456 52.037 -0.026 0.000 0.646 166 A CB -0.626 18.487 19.000 0.189 0.000 0.806 166 A HN 0.723 nan 8.150 nan 0.000 0.448 167 Y N 0.669 120.994 120.300 0.042 0.000 2.153 167 Y HA -0.160 4.390 4.550 0.000 0.000 0.289 167 Y C 1.984 177.867 175.900 -0.029 0.000 1.119 167 Y CA 1.738 59.892 58.100 0.089 0.000 1.116 167 Y CB -0.014 38.590 38.460 0.241 0.000 1.004 167 Y HN 0.297 nan 8.280 nan 0.000 0.501 168 D N 0.166 120.536 120.400 -0.049 0.000 2.123 168 D HA -0.210 4.430 4.640 0.000 0.000 0.196 168 D C 2.149 178.301 176.300 -0.247 0.000 0.992 168 D CA 1.611 55.519 54.000 -0.154 0.000 0.833 168 D CB -0.384 40.408 40.800 -0.013 0.000 0.954 168 D HN 0.344 nan 8.370 nan 0.000 0.455 169 R N 0.274 120.619 120.500 -0.259 0.000 2.115 169 R HA -0.033 4.307 4.340 0.000 0.000 0.230 169 R C 1.747 177.762 176.300 -0.476 0.000 1.111 169 R CA 0.875 56.789 56.100 -0.310 0.000 0.976 169 R CB -0.006 30.123 30.300 -0.286 0.000 0.870 169 R HN 0.010 nan 8.270 nan 0.000 0.445 170 V N 0.537 120.049 119.914 -0.671 0.000 3.565 170 V HA -0.004 4.116 4.120 0.000 0.000 0.260 170 V C 1.870 177.628 176.094 -0.560 0.000 1.231 170 V CA 0.955 62.624 62.300 -1.052 0.000 1.100 170 V CB 0.482 31.170 31.823 -1.893 0.000 0.807 170 V HN 0.314 nan 8.190 nan 0.000 0.454 171 K N 1.677 121.836 120.400 -0.401 0.000 2.113 171 K HA -0.224 4.096 4.320 0.000 0.000 0.208 171 K C 1.953 178.436 176.600 -0.195 0.000 1.047 171 K CA 2.610 58.741 56.287 -0.261 0.000 0.928 171 K CB -0.516 31.632 32.500 -0.586 0.000 0.716 171 K HN 0.591 nan 8.250 nan 0.000 0.446 172 T N -2.723 111.699 114.554 -0.220 0.000 2.976 172 T HA 0.090 4.440 4.350 0.000 0.000 0.257 172 T C 1.632 176.267 174.700 -0.109 0.000 1.051 172 T CA 0.649 62.664 62.100 -0.142 0.000 1.141 172 T CB -0.114 68.675 68.868 -0.131 0.000 0.881 172 T HN 0.312 nan 8.240 nan 0.000 0.461 173 E N -0.372 119.713 120.200 -0.193 0.000 2.230 173 E HA 0.020 4.370 4.350 0.000 0.000 0.192 173 E C -0.268 176.363 176.600 0.050 0.000 0.987 173 E CA 0.298 56.626 56.400 -0.122 0.000 0.841 173 E CB 0.185 29.734 29.700 -0.252 0.000 0.783 173 E HN 0.533 nan 8.360 nan 0.000 0.481 174 W N 2.156 123.288 121.300 -0.279 0.000 2.147 174 W HA 0.199 4.859 4.660 -0.000 0.000 0.325 174 W C -0.326 176.214 176.519 0.034 0.000 0.855 174 W CA -0.928 56.202 57.345 -0.359 0.000 1.642 174 W CB -0.173 28.808 29.460 -0.798 0.000 1.750 174 W HN -0.192 nan 8.180 nan 0.000 0.359 175 T N -0.886 113.826 114.554 0.265 0.000 3.336 175 T HA 0.375 4.726 4.350 0.000 0.000 0.384 175 T C -0.552 174.289 174.700 0.236 0.000 1.704 175 T CA -0.329 61.892 62.100 0.201 0.000 1.334 175 T CB 1.189 70.115 68.868 0.096 0.000 1.131 175 T HN 0.114 nan 8.240 nan 0.000 0.684 176 D N 0.631 121.222 120.400 0.318 0.000 2.615 176 D HA 0.240 4.881 4.640 0.000 0.000 0.267 176 D C -0.156 176.230 176.300 0.144 0.000 1.236 176 D CA -0.489 53.632 54.000 0.203 0.000 0.839 176 D CB 2.616 43.518 40.800 0.171 0.000 1.380 176 D HN 0.107 nan 8.370 nan 0.000 0.433 177 D N -0.091 120.347 120.400 0.063 0.000 2.144 177 D HA -0.075 4.565 4.640 0.000 0.000 0.200 177 D C 2.064 178.317 176.300 -0.079 0.000 0.978 177 D CA 1.227 55.279 54.000 0.087 0.000 0.833 177 D CB 0.224 41.160 40.800 0.227 0.000 0.961 177 D HN 0.244 nan 8.370 nan 0.000 0.470 178 V N -0.377 119.259 119.914 -0.464 0.000 2.469 178 V HA -0.261 3.860 4.120 0.000 0.000 0.251 178 V C 1.549 177.454 176.094 -0.315 0.000 1.064 178 V CA 1.403 63.273 62.300 -0.717 0.000 1.066 178 V CB -1.214 29.986 31.823 -1.037 0.000 0.667 178 V HN 0.204 nan 8.190 nan 0.000 0.461 179 Y N 0.144 120.444 120.300 0.000 0.000 2.511 179 Y HA 0.162 4.712 4.550 0.000 0.000 0.279 179 Y C 2.486 178.643 175.900 0.427 0.000 1.157 179 Y CA 0.430 58.596 58.100 0.109 0.000 1.300 179 Y CB -0.516 38.014 38.460 0.118 0.000 1.052 179 Y HN 0.244 nan 8.280 nan 0.000 0.529 180 Q N 1.356 121.434 119.800 0.463 0.000 2.050 180 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 180 Q C -0.803 175.445 176.000 0.413 0.000 0.980 180 Q CA 1.872 57.956 55.803 0.468 0.000 0.840 180 Q CB -1.240 27.669 28.738 0.285 0.000 0.898 180 Q HN 0.203 nan 8.270 nan 0.000 0.424 181 P HA -0.129 nan 4.420 nan 0.000 0.218 181 P C 0.361 177.776 177.300 0.192 0.000 1.148 181 P CA 1.143 64.324 63.100 0.135 0.000 0.822 181 P CB -0.344 31.314 31.700 -0.070 0.000 0.784 182 W N -0.365 121.015 121.300 0.134 0.000 2.335 182 W HA -0.187 4.473 4.660 0.000 0.000 0.311 182 W C 1.688 178.295 176.519 0.147 0.000 1.213 182 W CA 1.410 58.852 57.345 0.162 0.000 1.274 182 W CB -0.819 28.735 29.460 0.156 0.000 1.148 182 W HN -0.181 nan 8.180 nan 0.000 0.498 183 F N 0.790 121.108 119.950 0.614 0.000 2.234 183 F HA -0.184 4.343 4.527 0.001 0.000 0.299 183 F C 2.161 178.069 175.800 0.180 0.000 1.087 183 F CA 1.715 59.983 58.000 0.445 0.000 1.340 183 F CB -0.781 38.502 39.000 0.471 0.000 1.031 183 F HN -0.175 nan 8.300 nan 0.000 0.500 184 D N -0.813 119.763 120.400 0.295 0.000 2.149 184 D HA -0.084 4.557 4.640 0.000 0.000 0.201 184 D C 2.232 178.557 176.300 0.042 0.000 0.972 184 D CA 1.511 55.599 54.000 0.147 0.000 0.835 184 D CB -0.516 40.351 40.800 0.110 0.000 0.966 184 D HN 0.194 nan 8.370 nan 0.000 0.476 185 T N -0.126 114.379 114.554 -0.083 0.000 2.814 185 T HA -0.005 4.345 4.350 0.000 0.000 0.254 185 T C 1.456 176.089 174.700 -0.112 0.000 1.037 185 T CA 0.605 62.561 62.100 -0.240 0.000 1.143 185 T CB -0.160 68.335 68.868 -0.621 0.000 0.866 185 T HN 0.037 nan 8.240 nan 0.000 0.431 186 F N 1.003 120.899 119.950 -0.089 0.000 2.714 186 F HA 0.545 5.072 4.527 0.001 0.000 0.294 186 F C 1.426 177.178 175.800 -0.080 0.000 1.120 186 F CA -0.741 57.153 58.000 -0.176 0.000 1.398 186 F CB 0.220 38.549 39.000 -1.118 0.000 1.120 186 F HN 0.073 nan 8.300 nan 0.000 0.589 187 A N 0.827 123.679 122.820 0.052 0.000 3.297 187 A HA 0.420 4.740 4.320 0.000 0.000 0.304 187 A C -1.809 175.833 177.584 0.097 0.000 0.963 187 A CA -0.792 51.276 52.037 0.053 0.000 0.935 187 A CB -0.282 18.820 19.000 0.170 0.000 1.093 187 A HN -0.052 nan 8.150 nan 0.000 0.480 188 P HA -0.039 nan 4.420 nan 0.000 0.229 188 P C 0.667 177.987 177.300 0.032 0.000 1.160 188 P CA 1.018 64.163 63.100 0.075 0.000 0.777 188 P CB 0.271 32.008 31.700 0.061 0.000 0.814 189 K N -0.485 119.910 120.400 -0.009 0.000 2.446 189 K HA 0.349 4.670 4.320 0.000 0.000 0.203 189 K C 1.106 177.688 176.600 -0.031 0.000 1.027 189 K CA 0.475 56.744 56.287 -0.030 0.000 1.166 189 K CB -0.641 31.822 32.500 -0.062 0.000 0.869 189 K HN 0.091 nan 8.250 nan 0.000 0.504 190 G N 1.852 110.653 108.800 0.002 0.000 2.148 190 G HA2 -0.304 3.656 3.960 0.000 0.000 0.254 190 G HA3 -0.304 3.656 3.960 0.000 0.000 0.254 190 G C -0.095 174.761 174.900 -0.072 0.000 0.981 190 G CA 0.774 45.898 45.100 0.039 0.000 0.670 190 G HN 0.354 nan 8.290 nan 0.000 0.528 191 R N -1.040 119.273 120.500 -0.313 0.000 2.747 191 R HA 0.796 5.136 4.340 0.000 0.000 0.272 191 R C -0.343 175.528 176.300 -0.715 0.000 1.032 191 R CA -0.119 55.538 56.100 -0.739 0.000 0.896 191 R CB 0.377 30.477 30.300 -0.334 0.000 1.253 191 R HN 1.219 nan 8.270 nan 0.000 0.461 192 A N 1.815 124.196 122.820 -0.732 0.000 2.388 192 A HA 0.562 4.882 4.320 0.000 0.000 0.257 192 A C -2.166 175.112 177.584 -0.509 0.000 1.095 192 A CA -1.451 50.283 52.037 -0.505 0.000 0.791 192 A CB -0.201 18.708 19.000 -0.151 0.000 1.029 192 A HN 0.515 nan 8.150 nan 0.000 0.489 193 P HA 0.094 nan 4.420 nan 0.000 0.265 193 P C -0.133 176.953 177.300 -0.357 0.000 1.187 193 P CA 0.347 63.110 63.100 -0.562 0.000 0.766 193 P CB 0.424 31.627 31.700 -0.828 0.000 0.820 194 R N 1.000 121.364 120.500 -0.226 0.000 2.541 194 R HA 0.405 4.745 4.340 0.000 0.000 0.263 194 R C -0.379 175.855 176.300 -0.110 0.000 1.112 194 R CA -1.166 54.851 56.100 -0.139 0.000 1.170 194 R CB 0.234 30.473 30.300 -0.101 0.000 1.167 194 R HN 0.200 nan 8.270 nan 0.000 0.582 195 V N 1.446 121.321 119.914 -0.065 0.000 2.540 195 V HA 0.099 4.219 4.120 0.000 0.000 0.297 195 V C 1.454 177.524 176.094 -0.039 0.000 1.024 195 V CA 1.510 63.787 62.300 -0.038 0.000 1.105 195 V CB 0.331 32.140 31.823 -0.024 0.000 0.938 195 V HN 1.128 nan 8.190 nan 0.000 0.482 196 G N 3.223 112.008 108.800 -0.025 0.000 2.234 196 G HA2 -0.275 3.685 3.960 0.000 0.000 0.260 196 G HA3 -0.275 3.685 3.960 0.000 0.000 0.260 196 G C 0.275 175.154 174.900 -0.036 0.000 0.987 196 G CA 0.393 45.481 45.100 -0.019 0.000 0.625 196 G HN 0.777 nan 8.290 nan 0.000 0.532 197 E N 0.434 120.594 120.200 -0.066 0.000 2.373 197 E HA 0.428 4.778 4.350 0.000 0.000 0.267 197 E C 0.266 176.808 176.600 -0.095 0.000 1.032 197 E CA -0.449 55.900 56.400 -0.085 0.000 0.889 197 E CB 0.847 30.475 29.700 -0.120 0.000 0.984 197 E HN 0.107 nan 8.360 nan 0.000 0.425 198 V N 5.350 125.214 119.914 -0.083 0.000 2.498 198 V HA 0.134 4.255 4.120 0.000 0.000 0.279 198 V C -0.490 175.539 176.094 -0.107 0.000 1.048 198 V CA -0.115 62.126 62.300 -0.098 0.000 0.967 198 V CB 0.626 32.409 31.823 -0.067 0.000 0.988 198 V HN 0.660 nan 8.190 nan 0.000 0.473 199 W N 7.358 128.410 121.300 -0.414 0.000 2.632 199 W HA 0.744 5.404 4.660 0.000 0.000 0.328 199 W C -0.158 176.180 176.519 -0.302 0.000 1.044 199 W CA -0.855 56.260 57.345 -0.382 0.000 1.225 199 W CB 1.198 30.370 29.460 -0.480 0.000 1.396 199 W HN 0.639 nan 8.180 nan 0.000 0.499 200 R N 3.141 122.985 120.500 -1.094 0.000 2.855 200 R HA 0.845 5.185 4.340 0.000 0.000 0.266 200 R C -1.535 173.946 176.300 -1.364 0.000 1.034 200 R CA -1.222 54.286 56.100 -0.987 0.000 0.944 200 R CB 1.892 31.927 30.300 -0.441 0.000 1.219 200 R HN 0.300 nan 8.270 nan 0.000 0.474 201 S N -0.028 115.181 115.700 -0.818 0.000 2.609 201 S HA 0.063 4.533 4.470 0.000 0.000 0.250 201 S C -0.003 174.506 174.600 -0.152 0.000 1.112 201 S CA -0.584 57.330 58.200 -0.477 0.000 1.102 201 S CB 1.526 64.504 63.200 -0.371 0.000 1.124 201 S HN 0.681 nan 8.310 nan 0.000 0.460 202 Q N 3.064 122.790 119.800 -0.124 0.000 2.181 202 Q HA -0.057 4.284 4.340 0.000 0.000 0.205 202 Q C 1.996 177.997 176.000 0.001 0.000 0.980 202 Q CA 2.104 57.876 55.803 -0.052 0.000 0.862 202 Q CB -0.644 28.060 28.738 -0.056 0.000 0.905 202 Q HN 0.924 nan 8.270 nan 0.000 0.429 203 G N -0.334 108.472 108.800 0.010 0.000 2.514 203 G HA2 -0.307 3.653 3.960 0.000 0.000 0.217 203 G HA3 -0.307 3.653 3.960 0.000 0.000 0.217 203 G C 1.099 176.030 174.900 0.052 0.000 1.198 203 G CA 1.348 46.459 45.100 0.018 0.000 0.780 203 G HN 0.435 nan 8.290 nan 0.000 0.565 204 H N 0.806 119.896 119.070 0.034 0.000 2.319 204 H HA 0.051 4.607 4.556 0.000 0.000 0.297 204 H C 2.880 178.252 175.328 0.074 0.000 1.097 204 H CA 1.732 57.839 56.048 0.099 0.000 1.285 204 H CB -0.301 29.558 29.762 0.162 0.000 1.368 204 H HN 0.410 nan 8.280 nan 0.000 0.495 205 A N 0.797 123.713 122.820 0.160 0.000 1.883 205 A HA -0.218 4.102 4.320 0.000 0.000 0.217 205 A C 1.998 179.619 177.584 0.062 0.000 1.186 205 A CA 1.990 54.079 52.037 0.087 0.000 0.624 205 A CB -0.466 18.559 19.000 0.042 0.000 0.822 205 A HN 0.370 nan 8.150 nan 0.000 0.444 206 D N -1.052 119.377 120.400 0.048 0.000 2.104 206 D HA -0.142 4.498 4.640 0.000 0.000 0.194 206 D C 2.093 178.424 176.300 0.052 0.000 0.994 206 D CA 2.089 56.111 54.000 0.037 0.000 0.830 206 D CB -0.695 40.119 40.800 0.023 0.000 0.959 206 D HN 0.473 nan 8.370 nan 0.000 0.452 207 T N -0.051 114.541 114.554 0.062 0.000 2.904 207 T HA -0.036 4.314 4.350 0.000 0.000 0.267 207 T C 2.246 177.013 174.700 0.113 0.000 1.059 207 T CA 0.431 62.583 62.100 0.087 0.000 1.137 207 T CB -0.205 68.717 68.868 0.089 0.000 0.879 207 T HN 0.032 nan 8.240 nan 0.000 0.467 208 L N 0.257 121.546 121.223 0.110 0.000 2.056 208 L HA 0.018 4.358 4.340 0.000 0.000 0.207 208 L C 2.983 179.899 176.870 0.076 0.000 1.078 208 L CA 1.576 56.480 54.840 0.107 0.000 0.749 208 L CB -0.454 41.656 42.059 0.085 0.000 0.901 208 L HN 0.226 nan 8.230 nan 0.000 0.433 209 R N -0.474 120.060 120.500 0.056 0.000 2.105 209 R HA -0.195 4.146 4.340 0.000 0.000 0.239 209 R C 2.562 178.894 176.300 0.053 0.000 1.135 209 R CA 1.733 57.858 56.100 0.041 0.000 0.967 209 R CB -0.288 30.029 30.300 0.028 0.000 0.861 209 R HN 0.165 nan 8.270 nan 0.000 0.442 210 S N 0.120 115.860 115.700 0.067 0.000 2.402 210 S HA -0.060 4.410 4.470 0.000 0.000 0.229 210 S C 1.828 176.484 174.600 0.093 0.000 1.021 210 S CA 1.261 59.505 58.200 0.073 0.000 0.974 210 S CB -0.261 62.984 63.200 0.075 0.000 0.800 210 S HN 0.513 nan 8.310 nan 0.000 0.484 211 I N -0.803 119.837 120.570 0.117 0.000 2.876 211 I HA 0.206 4.376 4.170 0.000 0.000 0.264 211 I C 2.374 178.565 176.117 0.123 0.000 1.204 211 I CA 0.927 62.311 61.300 0.139 0.000 1.485 211 I CB -0.998 37.105 38.000 0.171 0.000 1.103 211 I HN 0.247 nan 8.210 nan 0.000 0.446 212 A N 2.011 124.887 122.820 0.093 0.000 1.902 212 A HA -0.171 4.149 4.320 0.000 0.000 0.217 212 A C 2.176 179.792 177.584 0.054 0.000 1.181 212 A CA 1.727 53.801 52.037 0.062 0.000 0.623 212 A CB -0.617 18.401 19.000 0.031 0.000 0.818 212 A HN 0.556 nan 8.150 nan 0.000 0.443 213 E N -0.146 120.085 120.200 0.052 0.000 2.435 213 E HA -0.040 4.311 4.350 0.000 0.000 0.195 213 E C 1.590 178.221 176.600 0.051 0.000 1.029 213 E CA 0.819 57.245 56.400 0.043 0.000 0.865 213 E CB 0.044 29.765 29.700 0.035 0.000 0.833 213 E HN 0.741 nan 8.360 nan 0.000 0.510 214 S N -0.334 115.407 115.700 0.069 0.000 2.559 214 S HA 0.086 4.556 4.470 0.000 0.000 0.226 214 S C 0.531 175.184 174.600 0.089 0.000 1.000 214 S CA -0.457 57.789 58.200 0.076 0.000 0.948 214 S CB 0.276 63.528 63.200 0.087 0.000 0.870 214 S HN 0.071 nan 8.310 nan 0.000 0.497 215 N N 1.562 120.318 118.700 0.092 0.000 2.735 215 N HA -0.180 4.560 4.740 0.000 0.000 0.248 215 N C 0.902 176.500 175.510 0.146 0.000 1.083 215 N CA 1.183 54.296 53.050 0.105 0.000 0.703 215 N CB -1.731 36.804 38.487 0.080 0.000 1.005 215 N HN 1.146 nan 8.380 nan 0.000 0.550 216 G N -0.968 107.935 108.800 0.170 0.000 2.179 216 G HA2 -0.389 3.572 3.960 0.000 0.000 0.260 216 G HA3 -0.389 3.572 3.960 0.000 0.000 0.260 216 G C 0.785 175.858 174.900 0.287 0.000 0.977 216 G CA 0.919 46.154 45.100 0.224 0.000 0.641 216 G HN 0.494 nan 8.290 nan 0.000 0.533 217 E N 0.815 121.143 120.200 0.214 0.000 2.150 217 E HA 0.015 4.366 4.350 0.000 0.000 0.193 217 E C 2.562 179.269 176.600 0.179 0.000 0.985 217 E CA 1.610 58.133 56.400 0.205 0.000 0.814 217 E CB -0.372 29.405 29.700 0.128 0.000 0.752 217 E HN 0.482 nan 8.360 nan 0.000 0.466 218 S N -1.080 114.706 115.700 0.142 0.000 2.382 218 S HA -0.165 4.306 4.470 0.000 0.000 0.228 218 S C 1.758 176.402 174.600 0.074 0.000 1.027 218 S CA 1.055 59.314 58.200 0.099 0.000 0.991 218 S CB -0.436 62.820 63.200 0.094 0.000 0.823 218 S HN 0.419 nan 8.310 nan 0.000 0.469 219 F N 0.371 120.259 119.950 -0.103 0.000 2.186 219 F HA 0.026 4.553 4.527 0.000 0.000 0.299 219 F C 1.516 177.088 175.800 -0.381 0.000 1.090 219 F CA 1.422 59.234 58.000 -0.313 0.000 1.307 219 F CB -0.176 38.492 39.000 -0.554 0.000 1.019 219 F HN 0.293 nan 8.300 nan 0.000 0.489 220 Y N -0.185 120.201 120.300 0.143 0.000 2.464 220 Y HA 0.185 4.736 4.550 0.001 0.000 0.288 220 Y C 1.323 177.230 175.900 0.012 0.000 1.133 220 Y CA 0.553 58.697 58.100 0.073 0.000 1.223 220 Y CB -0.112 38.458 38.460 0.184 0.000 1.187 220 Y HN -0.122 nan 8.280 nan 0.000 0.539 221 R N -0.340 120.267 120.500 0.179 0.000 2.661 221 R HA 0.573 4.913 4.340 0.000 0.000 0.429 221 R C 0.089 176.422 176.300 0.055 0.000 1.044 221 R CA 0.169 56.323 56.100 0.090 0.000 1.065 221 R CB 0.278 30.634 30.300 0.092 0.000 1.377 221 R HN 0.242 nan 8.270 nan 0.000 0.600 222 G N 0.266 109.087 108.800 0.036 0.000 3.107 222 G HA2 0.066 4.026 3.960 0.000 0.000 0.233 222 G HA3 0.066 4.026 3.960 0.000 0.000 0.233 222 G C -0.263 174.640 174.900 0.005 0.000 1.168 222 G CA -0.365 44.752 45.100 0.027 0.000 0.801 222 G HN 0.048 nan 8.290 nan 0.000 0.605 223 E N -0.612 119.596 120.200 0.012 0.000 2.107 223 E HA 0.006 4.357 4.350 0.000 0.000 0.191 223 E C 2.565 179.161 176.600 -0.007 0.000 0.982 223 E CA 0.555 56.959 56.400 0.008 0.000 0.809 223 E CB -0.056 29.655 29.700 0.018 0.000 0.756 223 E HN 0.375 nan 8.360 nan 0.000 0.459 224 L N 0.358 121.569 121.223 -0.020 0.000 2.056 224 L HA -0.150 4.190 4.340 0.000 0.000 0.207 224 L C 2.683 179.464 176.870 -0.149 0.000 1.078 224 L CA 1.045 55.847 54.840 -0.063 0.000 0.749 224 L CB -0.486 41.550 42.059 -0.037 0.000 0.901 224 L HN 0.112 nan 8.230 nan 0.000 0.433 225 A N 0.059 122.774 122.820 -0.175 0.000 1.948 225 A HA -0.271 4.049 4.320 0.000 0.000 0.220 225 A C 1.904 179.447 177.584 -0.067 0.000 1.177 225 A CA 2.245 54.169 52.037 -0.188 0.000 0.636 225 A CB -0.561 18.369 19.000 -0.118 0.000 0.815 225 A HN 0.395 nan 8.150 nan 0.000 0.449 226 D N -0.673 119.715 120.400 -0.021 0.000 2.144 226 D HA -0.116 4.524 4.640 0.000 0.000 0.200 226 D C 2.179 178.535 176.300 0.093 0.000 0.978 226 D CA 1.270 55.296 54.000 0.044 0.000 0.833 226 D CB -0.407 40.410 40.800 0.028 0.000 0.961 226 D HN 0.626 nan 8.370 nan 0.000 0.470 227 Q N -0.041 119.789 119.800 0.049 0.000 2.119 227 Q HA -0.030 4.310 4.340 0.000 0.000 0.201 227 Q C 2.422 178.493 176.000 0.118 0.000 0.972 227 Q CA 0.580 56.425 55.803 0.071 0.000 0.847 227 Q CB 0.121 28.875 28.738 0.027 0.000 0.903 227 Q HN 0.345 nan 8.270 nan 0.000 0.433 228 I N -0.252 120.357 120.570 0.066 0.000 2.202 228 I HA -0.296 3.874 4.170 0.000 0.000 0.242 228 I C 2.419 178.682 176.117 0.245 0.000 1.091 228 I CA 1.476 62.851 61.300 0.124 0.000 1.368 228 I CB -0.357 37.570 38.000 -0.122 0.000 1.058 228 I HN 0.256 nan 8.210 nan 0.000 0.410 229 H N 1.206 120.306 119.070 0.049 0.000 2.352 229 H HA -0.171 4.386 4.556 0.000 0.000 0.299 229 H C 2.132 177.546 175.328 0.144 0.000 1.097 229 H CA 1.924 58.009 56.048 0.061 0.000 1.311 229 H CB -0.009 29.755 29.762 0.004 0.000 1.377 229 H HN 0.307 nan 8.280 nan 0.000 0.504 230 A N -0.073 122.820 122.820 0.122 0.000 1.898 230 A HA -0.130 4.190 4.320 0.000 0.000 0.216 230 A C 2.331 179.978 177.584 0.104 0.000 1.181 230 A CA 1.377 53.454 52.037 0.067 0.000 0.620 230 A CB -1.187 17.893 19.000 0.133 0.000 0.819 230 A HN 0.563 nan 8.150 nan 0.000 0.442 231 F N -0.721 119.275 119.950 0.077 0.000 2.186 231 F HA -0.070 4.457 4.527 0.000 0.000 0.299 231 F C 1.829 177.668 175.800 0.066 0.000 1.090 231 F CA 1.268 59.319 58.000 0.086 0.000 1.307 231 F CB -0.300 38.743 39.000 0.070 0.000 1.019 231 F HN 0.227 nan 8.300 nan 0.000 0.489 232 F N 0.306 120.242 119.950 -0.023 0.000 2.163 232 F HA -0.134 4.393 4.527 0.001 0.000 0.297 232 F C 2.345 178.012 175.800 -0.223 0.000 1.094 232 F CA 1.677 59.603 58.000 -0.125 0.000 1.290 232 F CB -0.661 38.308 39.000 -0.051 0.000 1.017 232 F HN -0.054 nan 8.300 nan 0.000 0.483 233 D N 0.135 120.468 120.400 -0.111 0.000 2.178 233 D HA -0.201 4.439 4.640 0.000 0.000 0.201 233 D C 2.095 178.264 176.300 -0.217 0.000 0.980 233 D CA 1.104 54.975 54.000 -0.215 0.000 0.842 233 D CB -0.062 40.536 40.800 -0.337 0.000 0.948 233 D HN 0.061 nan 8.370 nan 0.000 0.472 234 K N -1.254 118.993 120.400 -0.255 0.000 2.288 234 K HA -0.087 4.233 4.320 0.000 0.000 0.201 234 K C 0.537 176.770 176.600 -0.611 0.000 1.048 234 K CA 0.876 56.929 56.287 -0.390 0.000 0.956 234 K CB 0.065 32.327 32.500 -0.396 0.000 0.746 234 K HN 0.316 nan 8.250 nan 0.000 0.461 235 H N -1.765 117.055 119.070 -0.416 0.000 2.512 235 H HA 0.241 4.797 4.556 0.000 0.000 0.276 235 H C 0.217 175.359 175.328 -0.311 0.000 1.126 235 H CA 0.353 56.154 56.048 -0.413 0.000 1.060 235 H CB 1.411 30.799 29.762 -0.622 0.000 1.646 235 H HN 0.349 nan 8.280 nan 0.000 0.571 236 G N 0.653 109.334 108.800 -0.198 0.000 2.198 236 G HA2 -0.235 3.725 3.960 0.000 0.000 0.257 236 G HA3 -0.235 3.725 3.960 0.000 0.000 0.257 236 G C 0.683 175.414 174.900 -0.281 0.000 1.042 236 G CA 0.077 45.047 45.100 -0.216 0.000 0.791 236 G HN 0.702 nan 8.290 nan 0.000 0.502 237 G N -1.848 106.846 108.800 -0.176 0.000 2.580 237 G HA2 0.517 4.478 3.960 0.000 0.000 0.278 237 G HA3 0.517 4.478 3.960 0.000 0.000 0.278 237 G C 0.371 175.166 174.900 -0.175 0.000 1.212 237 G CA -0.370 44.720 45.100 -0.016 0.000 0.939 237 G HN 0.265 nan 8.290 nan 0.000 0.513 238 Y N -1.165 119.236 120.300 0.168 0.000 2.442 238 Y HA 0.323 4.873 4.550 0.001 0.000 0.250 238 Y C 1.346 177.267 175.900 0.033 0.000 1.113 238 Y CA -0.432 57.716 58.100 0.080 0.000 1.273 238 Y CB 0.475 38.973 38.460 0.064 0.000 1.138 238 Y HN 0.100 nan 8.280 nan 0.000 0.522 239 L N 2.939 124.217 121.223 0.093 0.000 2.418 239 L HA 0.135 4.475 4.340 0.000 0.000 0.274 239 L C 0.394 177.232 176.870 -0.054 0.000 1.135 239 L CA 0.608 55.363 54.840 -0.142 0.000 0.870 239 L CB 0.228 41.858 42.059 -0.714 0.000 1.154 239 L HN 0.266 nan 8.230 nan 0.000 0.462 240 T N 0.705 115.289 114.554 0.051 0.000 2.940 240 T HA 0.337 4.688 4.350 0.000 0.000 0.288 240 T C 1.024 175.793 174.700 0.114 0.000 1.045 240 T CA -0.879 61.366 62.100 0.241 0.000 1.018 240 T CB 1.939 70.920 68.868 0.188 0.000 1.151 240 T HN 0.522 nan 8.240 nan 0.000 0.529 241 K N 0.429 120.823 120.400 -0.011 0.000 2.034 241 K HA -0.188 4.132 4.320 0.000 0.000 0.214 241 K C 2.107 178.673 176.600 -0.057 0.000 1.051 241 K CA 2.211 58.409 56.287 -0.149 0.000 0.931 241 K CB -0.207 32.078 32.500 -0.358 0.000 0.715 241 K HN 0.708 nan 8.250 nan 0.000 0.446 242 E N 0.412 120.584 120.200 -0.048 0.000 2.274 242 E HA -0.138 4.213 4.350 0.000 0.000 0.194 242 E C 1.537 178.151 176.600 0.024 0.000 0.996 242 E CA 0.816 57.210 56.400 -0.010 0.000 0.840 242 E CB 0.086 29.780 29.700 -0.010 0.000 0.772 242 E HN 0.249 nan 8.360 nan 0.000 0.491 243 D N 0.518 120.937 120.400 0.032 0.000 2.097 243 D HA -0.123 4.518 4.640 0.000 0.000 0.197 243 D C 1.998 178.346 176.300 0.080 0.000 0.984 243 D CA 0.912 54.941 54.000 0.048 0.000 0.826 243 D CB -0.044 40.775 40.800 0.031 0.000 0.973 243 D HN 0.190 nan 8.370 nan 0.000 0.460 244 L N 0.796 122.065 121.223 0.076 0.000 2.027 244 L HA -0.095 4.245 4.340 0.000 0.000 0.206 244 L C 2.629 179.636 176.870 0.229 0.000 1.074 244 L CA 1.025 55.974 54.840 0.181 0.000 0.745 244 L CB -0.483 41.618 42.059 0.070 0.000 0.898 244 L HN -0.054 nan 8.230 nan 0.000 0.433 245 A N 0.016 122.908 122.820 0.120 0.000 1.978 245 A HA -0.234 4.087 4.320 0.000 0.000 0.220 245 A C 2.034 179.654 177.584 0.059 0.000 1.170 245 A CA 1.780 53.873 52.037 0.093 0.000 0.636 245 A CB -0.967 18.055 19.000 0.036 0.000 0.810 245 A HN 0.723 nan 8.150 nan 0.000 0.448 246 C N -3.406 115.923 119.300 0.048 0.000 2.668 246 C HA 0.533 4.993 4.460 0.000 0.000 0.301 246 C C 0.484 175.468 174.990 -0.011 0.000 1.351 246 C CA -1.369 57.651 59.018 0.002 0.000 1.757 246 C CB -2.471 25.268 27.740 -0.001 0.000 2.179 246 C HN 0.444 nan 8.230 nan 0.000 0.586 247 Y N 2.585 122.812 120.300 -0.121 0.000 2.377 247 Y HA 0.521 5.071 4.550 0.001 0.000 0.330 247 Y C 0.338 176.045 175.900 -0.321 0.000 1.108 247 Y CA 0.092 58.060 58.100 -0.220 0.000 1.308 247 Y CB 0.303 38.599 38.460 -0.273 0.000 1.216 247 Y HN 0.323 nan 8.280 nan 0.000 0.518 248 R N 7.577 127.402 120.500 -1.125 0.000 2.575 248 R HA 0.353 4.693 4.340 0.000 0.000 0.293 248 R C -2.761 172.776 176.300 -1.271 0.000 0.983 248 R CA -2.057 53.397 56.100 -1.076 0.000 0.887 248 R CB 1.891 31.895 30.300 -0.492 0.000 1.184 248 R HN 0.547 nan 8.270 nan 0.000 0.445 249 P HA -0.017 nan 4.420 nan 0.000 0.269 249 P C -0.939 176.059 177.300 -0.504 0.000 1.209 249 P CA 0.110 62.825 63.100 -0.641 0.000 0.776 249 P CB 0.715 32.137 31.700 -0.465 0.000 0.876 250 E N 2.379 122.327 120.200 -0.420 0.000 2.165 250 E HA 0.199 4.549 4.350 0.000 0.000 0.266 250 E C -1.093 175.353 176.600 -0.257 0.000 0.889 250 E CA -0.757 55.485 56.400 -0.263 0.000 0.756 250 E CB 0.560 30.169 29.700 -0.152 0.000 1.131 250 E HN 0.308 nan 8.360 nan 0.000 0.411 251 W N 4.252 125.526 121.300 -0.044 0.000 2.446 251 W HA 0.276 4.936 4.660 0.001 0.000 0.316 251 W C -0.010 176.521 176.519 0.019 0.000 1.376 251 W CA -0.221 57.128 57.345 0.006 0.000 1.300 251 W CB 0.806 30.277 29.460 0.018 0.000 1.351 251 W HN 0.209 nan 8.180 nan 0.000 0.530 252 V N 3.461 123.522 119.914 0.245 0.000 3.046 252 V HA 0.380 4.501 4.120 0.000 0.000 0.316 252 V C -0.745 175.460 176.094 0.185 0.000 1.104 252 V CA -1.074 61.325 62.300 0.166 0.000 1.006 252 V CB 2.252 34.138 31.823 0.105 0.000 1.058 252 V HN 0.356 nan 8.190 nan 0.000 0.440 253 E N 5.489 125.777 120.200 0.146 0.000 2.089 253 E HA 0.442 4.792 4.350 0.000 0.000 0.284 253 E C -2.466 174.237 176.600 0.170 0.000 1.023 253 E CA -2.150 54.334 56.400 0.140 0.000 0.819 253 E CB 1.126 30.895 29.700 0.115 0.000 1.076 253 E HN 0.476 nan 8.360 nan 0.000 0.396 254 P HA 0.011 nan 4.420 nan 0.000 0.267 254 P C -0.270 177.291 177.300 0.435 0.000 1.200 254 P CA 0.239 63.522 63.100 0.306 0.000 0.772 254 P CB 0.345 32.215 31.700 0.284 0.000 0.855 255 I N -0.801 119.973 120.570 0.340 0.000 2.607 255 I HA 0.730 4.900 4.170 0.000 0.000 0.305 255 I C 0.110 176.207 176.117 -0.033 0.000 0.995 255 I CA -0.863 60.535 61.300 0.164 0.000 1.148 255 I CB 2.125 40.169 38.000 0.074 0.000 1.323 255 I HN 0.386 nan 8.210 nan 0.000 0.461 256 S N 4.923 120.420 115.700 -0.338 0.000 2.720 256 S HA 0.783 5.253 4.470 0.000 0.000 0.287 256 S C -1.093 173.293 174.600 -0.357 0.000 1.168 256 S CA -0.746 57.066 58.200 -0.648 0.000 0.832 256 S CB 2.291 64.450 63.200 -1.736 0.000 1.166 256 S HN 0.593 nan 8.310 nan 0.000 0.493 257 I N 1.393 121.775 120.570 -0.314 0.000 2.656 257 I HA 0.420 4.590 4.170 0.000 0.000 0.292 257 I C -1.136 174.920 176.117 -0.103 0.000 1.144 257 I CA -0.474 60.742 61.300 -0.139 0.000 1.038 257 I CB 2.069 40.039 38.000 -0.049 0.000 1.244 257 I HN 0.943 nan 8.210 nan 0.000 0.420 258 D N 5.639 126.009 120.400 -0.049 0.000 2.352 258 D HA 0.006 4.646 4.640 0.000 0.000 0.245 258 D C -1.348 174.992 176.300 0.066 0.000 1.224 258 D CA 0.033 54.029 54.000 -0.005 0.000 0.879 258 D CB 0.394 41.179 40.800 -0.025 0.000 1.057 258 D HN 0.351 nan 8.370 nan 0.000 0.491 259 Y N 5.017 125.305 120.300 -0.020 0.000 2.721 259 Y HA 0.201 4.751 4.550 0.001 0.000 0.328 259 Y C 0.278 176.200 175.900 0.037 0.000 1.003 259 Y CA -0.626 57.467 58.100 -0.012 0.000 1.275 259 Y CB 0.147 38.582 38.460 -0.041 0.000 1.097 259 Y HN 0.443 nan 8.280 nan 0.000 0.514 260 R N 3.549 123.877 120.500 -0.287 0.000 3.422 260 R HA -0.253 4.087 4.340 0.000 0.000 0.267 260 R C 0.992 177.287 176.300 -0.009 0.000 1.074 260 R CA 0.876 56.853 56.100 -0.204 0.000 0.718 260 R CB -2.078 28.023 30.300 -0.331 0.000 1.157 260 R HN 1.188 nan 8.270 nan 0.000 0.440 261 G N -1.416 107.366 108.800 -0.029 0.000 2.345 261 G HA2 -0.359 3.602 3.960 0.000 0.000 0.218 261 G HA3 -0.359 3.602 3.960 0.000 0.000 0.218 261 G C 0.140 174.964 174.900 -0.127 0.000 1.058 261 G CA 0.170 45.210 45.100 -0.101 0.000 0.632 261 G HN 0.314 nan 8.290 nan 0.000 0.508 262 Y N 1.528 121.808 120.300 -0.034 0.000 2.298 262 Y HA 0.673 5.223 4.550 0.000 0.000 0.329 262 Y C 1.403 177.311 175.900 0.013 0.000 1.293 262 Y CA -0.228 57.867 58.100 -0.009 0.000 1.388 262 Y CB 0.598 39.037 38.460 -0.036 0.000 1.309 262 Y HN 0.060 nan 8.280 nan 0.000 0.544 263 R N 1.137 121.757 120.500 0.200 0.000 2.437 263 R HA 0.514 4.855 4.340 0.000 0.000 0.310 263 R C -1.676 174.636 176.300 0.019 0.000 0.955 263 R CA -0.854 55.260 56.100 0.023 0.000 0.851 263 R CB 1.669 31.957 30.300 -0.020 0.000 1.161 263 R HN 0.365 nan 8.270 nan 0.000 0.446 264 V N 3.591 123.446 119.914 -0.098 0.000 2.370 264 V HA 0.314 4.435 4.120 0.000 0.000 0.279 264 V C -0.648 175.411 176.094 -0.059 0.000 1.029 264 V CA -0.753 61.588 62.300 0.068 0.000 0.870 264 V CB 0.717 32.579 31.823 0.065 0.000 0.984 264 V HN 0.636 nan 8.190 nan 0.000 0.451 265 W N 2.797 124.266 121.300 0.280 0.000 2.551 265 W HA 0.712 5.372 4.660 0.000 0.000 0.330 265 W C 0.276 176.895 176.519 0.165 0.000 1.063 265 W CA -0.395 57.078 57.345 0.215 0.000 1.222 265 W CB 1.339 30.947 29.460 0.247 0.000 1.349 265 W HN 0.398 nan 8.180 nan 0.000 0.536 266 E N 2.087 122.486 120.200 0.332 0.000 2.416 266 E HA 0.364 4.714 4.350 0.000 0.000 0.273 266 E C -0.662 176.039 176.600 0.168 0.000 0.935 266 E CA -1.102 55.408 56.400 0.184 0.000 0.784 266 E CB 2.245 31.990 29.700 0.075 0.000 1.301 266 E HN 0.137 nan 8.360 nan 0.000 0.454 267 I N 3.505 124.121 120.570 0.076 0.000 2.648 267 I HA 0.075 4.245 4.170 0.000 0.000 0.284 267 I C -1.748 174.386 176.117 0.028 0.000 1.153 267 I CA -1.685 59.656 61.300 0.069 0.000 1.426 267 I CB -0.463 37.546 38.000 0.014 0.000 1.381 267 I HN 0.124 nan 8.210 nan 0.000 0.571 268 P HA 0.185 nan 4.420 nan 0.000 0.271 268 P C -2.588 174.724 177.300 0.021 0.000 1.244 268 P CA -1.211 61.920 63.100 0.051 0.000 0.793 268 P CB -0.530 31.218 31.700 0.081 0.000 0.984 269 P HA -0.177 nan 4.420 nan 0.000 0.271 269 P C 0.911 178.236 177.300 0.042 0.000 1.212 269 P CA 0.933 64.043 63.100 0.017 0.000 0.788 269 P CB -0.047 31.684 31.700 0.051 0.000 0.865 270 N N -1.964 116.764 118.700 0.046 0.000 2.197 270 N HA -0.160 4.580 4.740 0.000 0.000 0.216 270 N C 0.530 176.008 175.510 -0.052 0.000 0.304 270 N CA 1.104 54.191 53.050 0.061 0.000 4.241 270 N CB -1.759 36.801 38.487 0.123 0.000 0.789 270 N HN 0.604 nan 8.380 nan 0.000 0.223 271 G N 0.502 109.217 108.800 -0.141 0.000 2.503 271 G HA2 0.345 4.305 3.960 0.000 0.000 0.257 271 G HA3 0.345 4.305 3.960 0.000 0.000 0.257 271 G C 0.575 175.237 174.900 -0.396 0.000 1.214 271 G CA 0.438 45.293 45.100 -0.408 0.000 0.839 271 G HN 0.669 nan 8.290 nan 0.000 0.559 272 Q N 0.797 120.276 119.800 -0.535 0.000 2.280 272 Q HA 0.189 4.529 4.340 0.000 0.000 0.202 272 Q C 1.714 177.512 176.000 -0.337 0.000 0.903 272 Q CA 0.474 55.975 55.803 -0.505 0.000 0.948 272 Q CB 0.417 28.723 28.738 -0.721 0.000 1.058 272 Q HN 0.552 nan 8.270 nan 0.000 0.493 273 G N 1.544 110.164 108.800 -0.301 0.000 2.462 273 G HA2 -0.243 3.717 3.960 0.000 0.000 0.220 273 G HA3 -0.243 3.717 3.960 0.000 0.000 0.220 273 G C 1.303 176.124 174.900 -0.132 0.000 1.121 273 G CA 0.477 45.440 45.100 -0.228 0.000 0.758 273 G HN 0.389 nan 8.290 nan 0.000 0.559 274 L N 0.937 122.098 121.223 -0.102 0.000 2.034 274 L HA -0.185 4.155 4.340 0.000 0.000 0.217 274 L C 2.960 179.798 176.870 -0.053 0.000 1.077 274 L CA 1.929 56.742 54.840 -0.046 0.000 0.769 274 L CB -0.931 41.121 42.059 -0.012 0.000 0.890 274 L HN 0.212 nan 8.230 nan 0.000 0.435 275 V N 0.258 120.101 119.914 -0.118 0.000 2.282 275 V HA -0.333 3.787 4.120 0.000 0.000 0.249 275 V C 2.932 178.958 176.094 -0.113 0.000 1.057 275 V CA 1.906 64.107 62.300 -0.166 0.000 1.032 275 V CB -1.244 30.314 31.823 -0.442 0.000 0.645 275 V HN 0.621 nan 8.190 nan 0.000 0.447 276 A N -0.439 122.314 122.820 -0.112 0.000 1.908 276 A HA -0.181 4.139 4.320 0.000 0.000 0.218 276 A C 2.129 179.706 177.584 -0.011 0.000 1.181 276 A CA 1.884 53.905 52.037 -0.028 0.000 0.627 276 A CB -0.583 18.435 19.000 0.030 0.000 0.818 276 A HN 0.401 nan 8.150 nan 0.000 0.445 277 L N -0.142 121.075 121.223 -0.010 0.000 2.017 277 L HA -0.160 4.180 4.340 0.000 0.000 0.208 277 L C 2.447 179.317 176.870 0.001 0.000 1.073 277 L CA 2.314 57.150 54.840 -0.007 0.000 0.745 277 L CB -1.082 40.972 42.059 -0.009 0.000 0.894 277 L HN 0.652 nan 8.230 nan 0.000 0.432 278 E N -0.737 119.470 120.200 0.011 0.000 2.077 278 E HA -0.225 4.125 4.350 0.000 0.000 0.193 278 E C 2.163 178.773 176.600 0.015 0.000 0.989 278 E CA 1.153 57.570 56.400 0.028 0.000 0.800 278 E CB 0.031 29.766 29.700 0.058 0.000 0.746 278 E HN 0.439 nan 8.360 nan 0.000 0.452 279 A N 1.185 124.016 122.820 0.018 0.000 1.902 279 A HA -0.166 4.154 4.320 0.000 0.000 0.217 279 A C 2.120 179.733 177.584 0.047 0.000 1.181 279 A CA 1.030 53.091 52.037 0.039 0.000 0.623 279 A CB -0.564 18.476 19.000 0.067 0.000 0.818 279 A HN 0.312 nan 8.150 nan 0.000 0.443 280 L N 0.231 121.456 121.223 0.003 0.000 2.079 280 L HA -0.152 4.188 4.340 0.000 0.000 0.210 280 L C 2.124 179.070 176.870 0.126 0.000 1.081 280 L CA 1.972 56.793 54.840 -0.031 0.000 0.752 280 L CB -1.683 40.257 42.059 -0.198 0.000 0.896 280 L HN 0.446 nan 8.230 nan 0.000 0.433 281 N N -0.217 118.526 118.700 0.072 0.000 2.216 281 N HA -0.084 4.656 4.740 0.000 0.000 0.183 281 N C 1.877 177.392 175.510 0.007 0.000 1.017 281 N CA 0.886 53.970 53.050 0.057 0.000 0.861 281 N CB 0.017 38.518 38.487 0.024 0.000 0.986 281 N HN 0.288 nan 8.380 nan 0.000 0.428 282 I N -0.827 119.737 120.570 -0.010 0.000 2.202 282 I HA -0.184 3.986 4.170 0.000 0.000 0.242 282 I C 2.062 178.145 176.117 -0.056 0.000 1.091 282 I CA 0.709 61.971 61.300 -0.063 0.000 1.368 282 I CB -0.281 37.694 38.000 -0.041 0.000 1.058 282 I HN -0.034 nan 8.210 nan 0.000 0.410 283 V N 0.916 120.901 119.914 0.119 0.000 2.759 283 V HA -0.251 3.869 4.120 0.000 0.000 0.256 283 V C 2.469 178.729 176.094 0.276 0.000 1.080 283 V CA 1.618 64.111 62.300 0.322 0.000 1.101 283 V CB -0.454 31.625 31.823 0.427 0.000 0.698 283 V HN 0.357 nan 8.190 nan 0.000 0.477 284 K N 0.036 120.547 120.400 0.184 0.000 2.127 284 K HA -0.190 4.130 4.320 0.000 0.000 0.208 284 K C 1.923 178.457 176.600 -0.111 0.000 1.047 284 K CA 1.732 58.061 56.287 0.070 0.000 0.927 284 K CB -0.573 31.945 32.500 0.030 0.000 0.716 284 K HN 0.575 nan 8.250 nan 0.000 0.450 285 G N -0.263 108.379 108.800 -0.264 0.000 2.534 285 G HA2 -0.059 3.901 3.960 0.000 0.000 0.217 285 G HA3 -0.059 3.901 3.960 0.000 0.000 0.217 285 G C 0.083 174.737 174.900 -0.410 0.000 1.128 285 G CA 0.076 44.949 45.100 -0.379 0.000 0.784 285 G HN 0.069 nan 8.290 nan 0.000 0.542 286 F N 0.934 120.780 119.950 -0.174 0.000 2.379 286 F HA 0.486 5.013 4.527 0.000 0.000 0.332 286 F C 0.559 175.998 175.800 -0.602 0.000 1.096 286 F CA -1.472 56.297 58.000 -0.385 0.000 1.105 286 F CB 1.018 39.705 39.000 -0.523 0.000 1.189 286 F HN -0.126 nan 8.300 nan 0.000 0.515 287 E N 1.345 121.305 120.200 -0.401 0.000 2.280 287 E HA 0.336 4.686 4.350 0.000 0.000 0.264 287 E C -0.321 175.745 176.600 -0.891 0.000 1.064 287 E CA -0.091 55.968 56.400 -0.569 0.000 0.900 287 E CB 1.164 30.594 29.700 -0.449 0.000 1.123 287 E HN 0.516 nan 8.360 nan 0.000 0.418 288 F N -1.338 118.372 119.950 -0.400 0.000 2.017 288 F HA 0.051 4.579 4.527 0.001 0.000 0.245 288 F C 0.495 176.292 175.800 -0.004 0.000 1.060 288 F CA -0.107 57.838 58.000 -0.091 0.000 1.231 288 F CB -0.076 39.026 39.000 0.171 0.000 1.527 288 F HN 0.427 nan 8.300 nan 0.000 0.636 289 Y N -1.640 118.918 120.300 0.431 0.000 2.738 289 Y HA -0.338 4.213 4.550 0.000 0.000 0.480 289 Y C 0.488 176.607 175.900 0.365 0.000 1.246 289 Y CA 0.970 59.258 58.100 0.313 0.000 2.651 289 Y CB -1.512 37.065 38.460 0.194 0.000 0.998 289 Y HN 0.330 nan 8.280 nan 0.000 0.546 290 H N 0.907 120.172 119.070 0.325 0.000 2.600 290 H HA 0.465 5.021 4.556 0.000 0.000 0.357 290 H C 0.739 175.867 175.328 -0.333 0.000 1.106 290 H CA -0.456 55.622 56.048 0.050 0.000 1.193 290 H CB 1.776 31.555 29.762 0.028 0.000 1.594 290 H HN 0.182 nan 8.280 nan 0.000 0.526 291 K N 2.097 121.636 120.400 -1.435 0.000 2.025 291 K HA -0.071 4.249 4.320 0.000 0.000 0.207 291 K C -0.186 175.888 176.600 -0.877 0.000 1.049 291 K CA 1.355 56.559 56.287 -1.806 0.000 0.933 291 K CB 0.218 31.650 32.500 -1.780 0.000 0.714 291 K HN 0.602 nan 8.250 nan 0.000 0.438 292 D N 2.170 122.302 120.400 -0.446 0.000 3.057 292 D HA 0.022 4.663 4.640 0.000 0.000 0.246 292 D C -0.399 175.965 176.300 0.106 0.000 1.238 292 D CA 0.261 54.230 54.000 -0.053 0.000 0.949 292 D CB 0.565 41.389 40.800 0.040 0.000 1.086 292 D HN 0.375 nan 8.370 nan 0.000 0.487 293 T N -4.097 110.492 114.554 0.058 0.000 2.942 293 T HA 0.225 4.575 4.350 0.000 0.000 0.289 293 T C 1.219 176.030 174.700 0.185 0.000 1.044 293 T CA -0.740 61.430 62.100 0.116 0.000 1.023 293 T CB 2.142 71.076 68.868 0.109 0.000 1.123 293 T HN -0.124 nan 8.240 nan 0.000 0.512 294 V N 0.808 120.819 119.914 0.161 0.000 2.343 294 V HA -0.100 4.020 4.120 0.000 0.000 0.247 294 V C 2.155 178.355 176.094 0.176 0.000 1.051 294 V CA 2.918 65.326 62.300 0.179 0.000 1.036 294 V CB -1.006 30.878 31.823 0.102 0.000 0.654 294 V HN 1.110 nan 8.190 nan 0.000 0.451 295 D N -0.500 119.975 120.400 0.125 0.000 2.106 295 D HA -0.220 4.420 4.640 0.000 0.000 0.191 295 D C 2.091 178.501 176.300 0.182 0.000 0.997 295 D CA 2.506 56.578 54.000 0.119 0.000 0.834 295 D CB -0.347 40.502 40.800 0.082 0.000 0.956 295 D HN 0.512 nan 8.370 nan 0.000 0.448 296 T N -1.044 113.622 114.554 0.188 0.000 2.652 296 T HA -0.205 4.145 4.350 0.000 0.000 0.267 296 T C 1.686 176.392 174.700 0.011 0.000 1.039 296 T CA 1.600 63.803 62.100 0.172 0.000 1.153 296 T CB -0.757 68.069 68.868 -0.070 0.000 0.863 296 T HN 0.248 nan 8.240 nan 0.000 0.428 297 Y N 0.395 120.723 120.300 0.046 0.000 2.274 297 Y HA -0.112 4.438 4.550 0.000 0.000 0.290 297 Y C 2.553 178.358 175.900 -0.158 0.000 1.145 297 Y CA 1.192 59.254 58.100 -0.062 0.000 1.203 297 Y CB -0.647 37.831 38.460 0.030 0.000 0.984 297 Y HN 0.411 nan 8.280 nan 0.000 0.533 298 H N 0.240 119.325 119.070 0.025 0.000 2.299 298 H HA -0.092 4.464 4.556 0.000 0.000 0.302 298 H C 2.009 177.324 175.328 -0.022 0.000 1.078 298 H CA 2.054 58.090 56.048 -0.020 0.000 1.323 298 H CB 0.010 29.800 29.762 0.047 0.000 1.381 298 H HN 0.134 nan 8.280 nan 0.000 0.498 299 K N 0.053 120.433 120.400 -0.032 0.000 2.057 299 K HA -0.181 4.139 4.320 0.000 0.000 0.207 299 K C 2.442 179.067 176.600 0.042 0.000 1.049 299 K CA 1.679 57.941 56.287 -0.042 0.000 0.931 299 K CB -0.085 32.446 32.500 0.052 0.000 0.714 299 K HN 0.464 nan 8.250 nan 0.000 0.440 300 Q N 0.660 120.479 119.800 0.033 0.000 1.985 300 Q HA -0.213 4.127 4.340 0.000 0.000 0.207 300 Q C 2.242 178.161 176.000 -0.134 0.000 0.996 300 Q CA 1.854 57.673 55.803 0.026 0.000 0.851 300 Q CB -0.339 28.433 28.738 0.056 0.000 0.921 300 Q HN 0.318 nan 8.270 nan 0.000 0.418 301 I N 0.830 121.100 120.570 -0.501 0.000 2.151 301 I HA -0.306 3.865 4.170 0.000 0.000 0.243 301 I C 2.379 178.350 176.117 -0.243 0.000 1.080 301 I CA 1.154 62.098 61.300 -0.593 0.000 1.339 301 I CB -0.294 37.299 38.000 -0.678 0.000 1.039 301 I HN 0.229 nan 8.210 nan 0.000 0.409 302 E N 0.802 120.866 120.200 -0.228 0.000 2.047 302 E HA -0.182 4.168 4.350 0.000 0.000 0.191 302 E C 2.370 178.912 176.600 -0.097 0.000 0.987 302 E CA 1.464 57.756 56.400 -0.180 0.000 0.799 302 E CB -0.406 29.133 29.700 -0.269 0.000 0.752 302 E HN 0.511 nan 8.360 nan 0.000 0.449 303 A N 1.358 124.171 122.820 -0.013 0.000 1.908 303 A HA -0.206 4.115 4.320 0.000 0.000 0.218 303 A C 2.205 179.809 177.584 0.033 0.000 1.181 303 A CA 2.087 54.152 52.037 0.046 0.000 0.627 303 A CB -0.458 18.625 19.000 0.138 0.000 0.818 303 A HN 0.215 nan 8.150 nan 0.000 0.445 304 M N -0.020 119.625 119.600 0.075 0.000 2.117 304 M HA -0.089 4.391 4.480 0.000 0.000 0.262 304 M C 1.740 178.051 176.300 0.017 0.000 1.065 304 M CA 1.823 57.219 55.300 0.160 0.000 1.114 304 M CB -0.577 32.274 32.600 0.419 0.000 1.361 304 M HN 0.368 nan 8.290 nan 0.000 0.408 305 K N -0.258 120.001 120.400 -0.235 0.000 2.009 305 K HA -0.131 4.190 4.320 0.000 0.000 0.210 305 K C 1.915 178.297 176.600 -0.364 0.000 1.049 305 K CA 1.889 57.778 56.287 -0.663 0.000 0.929 305 K CB -0.540 31.529 32.500 -0.718 0.000 0.714 305 K HN 0.369 nan 8.250 nan 0.000 0.440 306 L N 0.374 121.491 121.223 -0.176 0.000 2.012 306 L HA -0.232 4.108 4.340 0.000 0.000 0.210 306 L C 2.580 179.447 176.870 -0.006 0.000 1.073 306 L CA 1.447 56.238 54.840 -0.081 0.000 0.748 306 L CB -0.629 41.390 42.059 -0.066 0.000 0.891 306 L HN 0.244 nan 8.230 nan 0.000 0.431 307 A N -0.808 122.020 122.820 0.014 0.000 1.969 307 A HA -0.208 4.113 4.320 0.000 0.000 0.218 307 A C 2.132 179.782 177.584 0.110 0.000 1.169 307 A CA 1.251 53.325 52.037 0.061 0.000 0.635 307 A CB -0.690 18.330 19.000 0.034 0.000 0.810 307 A HN 0.325 nan 8.150 nan 0.000 0.445 308 F N 0.454 120.408 119.950 0.007 0.000 2.186 308 F HA -0.105 4.423 4.527 0.000 0.000 0.299 308 F C 2.305 178.171 175.800 0.110 0.000 1.090 308 F CA 1.520 59.577 58.000 0.095 0.000 1.307 308 F CB -0.114 38.942 39.000 0.093 0.000 1.019 308 F HN 0.054 nan 8.300 nan 0.000 0.489 309 V N -0.831 119.232 119.914 0.247 0.000 2.548 309 V HA -0.204 3.917 4.120 0.000 0.000 0.249 309 V C 1.968 178.147 176.094 0.141 0.000 1.055 309 V CA 1.602 64.011 62.300 0.183 0.000 1.065 309 V CB -0.665 31.211 31.823 0.088 0.000 0.681 309 V HN 0.151 nan 8.190 nan 0.000 0.462 310 D N 1.590 122.099 120.400 0.181 0.000 2.084 310 D HA -0.111 4.529 4.640 0.000 0.000 0.194 310 D C 2.308 178.770 176.300 0.270 0.000 0.990 310 D CA 1.886 56.046 54.000 0.267 0.000 0.826 310 D CB -0.712 40.302 40.800 0.358 0.000 0.971 310 D HN 0.438 nan 8.370 nan 0.000 0.453 311 G N 0.267 109.219 108.800 0.253 0.000 2.442 311 G HA2 -0.261 3.700 3.960 0.000 0.000 0.219 311 G HA3 -0.261 3.700 3.960 0.000 0.000 0.219 311 G C 1.653 176.756 174.900 0.339 0.000 1.141 311 G CA 0.570 45.838 45.100 0.280 0.000 0.763 311 G HN 0.205 nan 8.290 nan 0.000 0.554 312 M N -0.443 119.315 119.600 0.263 0.000 2.319 312 M HA 0.107 4.587 4.480 0.000 0.000 0.265 312 M C 2.361 178.691 176.300 0.049 0.000 1.068 312 M CA 1.179 56.526 55.300 0.079 0.000 1.118 312 M CB 0.137 32.814 32.600 0.127 0.000 1.395 312 M HN 0.196 nan 8.290 nan 0.000 0.435 313 K N -0.308 120.044 120.400 -0.081 0.000 2.044 313 K HA -0.085 4.235 4.320 0.000 0.000 0.204 313 K C 1.061 177.367 176.600 -0.489 0.000 1.049 313 K CA 1.706 57.731 56.287 -0.437 0.000 0.945 313 K CB -0.010 32.009 32.500 -0.802 0.000 0.724 313 K HN 0.274 nan 8.250 nan 0.000 0.440 314 Y N -0.761 119.563 120.300 0.040 0.000 2.535 314 Y HA 0.299 4.849 4.550 0.001 0.000 0.266 314 Y C 0.168 176.129 175.900 0.101 0.000 1.088 314 Y CA -0.542 57.578 58.100 0.034 0.000 1.285 314 Y CB 0.410 38.885 38.460 0.026 0.000 1.166 314 Y HN -0.290 nan 8.280 nan 0.000 0.525 315 V N 1.388 121.494 119.914 0.320 0.000 2.455 315 V HA 0.382 4.503 4.120 0.000 0.000 0.273 315 V C 0.333 176.637 176.094 0.349 0.000 1.045 315 V CA 0.462 62.949 62.300 0.312 0.000 0.976 315 V CB 0.629 32.635 31.823 0.305 0.000 0.993 315 V HN 0.340 nan 8.190 nan 0.000 0.475 316 T N 2.939 117.634 114.554 0.235 0.000 2.653 316 T HA 0.313 4.664 4.350 0.000 0.000 0.306 316 T C -0.787 174.006 174.700 0.155 0.000 1.426 316 T CA -0.634 61.595 62.100 0.215 0.000 1.008 316 T CB 1.368 70.375 68.868 0.231 0.000 1.692 316 T HN 0.745 nan 8.240 nan 0.000 0.483 317 E N 1.958 122.252 120.200 0.158 0.000 2.820 317 E HA 0.059 4.409 4.350 0.000 0.000 0.251 317 E C -1.842 174.824 176.600 0.110 0.000 0.944 317 E CA -0.519 55.960 56.400 0.132 0.000 0.955 317 E CB 0.888 30.677 29.700 0.149 0.000 0.904 317 E HN 0.231 nan 8.360 nan 0.000 0.513 318 P HA -0.290 nan 4.420 nan 0.000 0.218 318 P C 1.125 178.463 177.300 0.063 0.000 1.152 318 P CA 2.114 65.257 63.100 0.072 0.000 0.857 318 P CB -0.028 31.708 31.700 0.061 0.000 0.787 319 S N -1.276 114.462 115.700 0.063 0.000 2.383 319 S HA -0.150 4.320 4.470 0.000 0.000 0.227 319 S C 1.359 175.993 174.600 0.057 0.000 1.026 319 S CA 1.524 59.755 58.200 0.052 0.000 0.981 319 S CB -1.199 62.029 63.200 0.048 0.000 0.818 319 S HN 0.089 nan 8.310 nan 0.000 0.472 320 D N 0.813 121.258 120.400 0.076 0.000 2.328 320 D HA 0.294 4.934 4.640 0.000 0.000 0.226 320 D C 0.087 176.440 176.300 0.089 0.000 1.066 320 D CA 0.152 54.201 54.000 0.082 0.000 0.861 320 D CB -0.082 40.781 40.800 0.104 0.000 0.912 320 D HN 0.449 nan 8.370 nan 0.000 0.521 321 M N 0.215 119.866 119.600 0.085 0.000 2.200 321 M HA 0.077 4.557 4.480 0.000 0.000 0.355 321 M C 1.456 177.796 176.300 0.068 0.000 1.283 321 M CA -0.036 55.319 55.300 0.093 0.000 1.124 321 M CB 1.675 34.327 32.600 0.086 0.000 1.625 321 M HN -0.139 nan 8.290 nan 0.000 0.463 322 S N 2.658 118.414 115.700 0.094 0.000 2.377 322 S HA 0.023 4.493 4.470 0.000 0.000 0.223 322 S C 0.544 175.133 174.600 -0.018 0.000 1.030 322 S CA 0.609 58.848 58.200 0.065 0.000 0.970 322 S CB 0.207 63.491 63.200 0.139 0.000 0.830 322 S HN 0.631 nan 8.310 nan 0.000 0.473 323 V N 0.096 119.953 119.914 -0.094 0.000 3.234 323 V HA 0.843 4.963 4.120 0.000 0.000 0.317 323 V C -0.001 176.014 176.094 -0.133 0.000 1.147 323 V CA -0.506 61.669 62.300 -0.210 0.000 1.037 323 V CB 1.305 32.831 31.823 -0.495 0.000 1.148 323 V HN 0.351 nan 8.190 nan 0.000 0.455 324 S N -0.374 115.242 115.700 -0.139 0.000 2.654 324 S HA 0.461 4.932 4.470 0.000 0.000 0.283 324 S C 0.814 175.368 174.600 -0.077 0.000 1.180 324 S CA -0.029 58.124 58.200 -0.079 0.000 1.021 324 S CB 1.413 64.575 63.200 -0.062 0.000 1.018 324 S HN 0.948 nan 8.310 nan 0.000 0.532 325 V N 1.701 121.597 119.914 -0.030 0.000 2.392 325 V HA -0.136 3.985 4.120 0.000 0.000 0.249 325 V C 2.499 178.580 176.094 -0.020 0.000 1.059 325 V CA 2.256 64.549 62.300 -0.012 0.000 1.051 325 V CB -1.352 30.479 31.823 0.012 0.000 0.658 325 V HN 0.883 nan 8.190 nan 0.000 0.455 326 E N -0.153 120.031 120.200 -0.027 0.000 2.150 326 E HA -0.178 4.172 4.350 0.000 0.000 0.193 326 E C 2.326 178.902 176.600 -0.040 0.000 0.985 326 E CA 0.975 57.361 56.400 -0.024 0.000 0.814 326 E CB -0.224 29.464 29.700 -0.021 0.000 0.752 326 E HN 0.653 nan 8.360 nan 0.000 0.466 327 Q N -0.114 119.634 119.800 -0.086 0.000 2.046 327 Q HA -0.051 4.289 4.340 0.000 0.000 0.200 327 Q C 2.130 178.038 176.000 -0.155 0.000 0.975 327 Q CA 0.953 56.669 55.803 -0.146 0.000 0.836 327 Q CB -0.071 28.526 28.738 -0.235 0.000 0.896 327 Q HN 0.289 nan 8.270 nan 0.000 0.428 328 L N -0.026 121.115 121.223 -0.137 0.000 2.275 328 L HA -0.149 4.191 4.340 0.000 0.000 0.215 328 L C 1.401 178.380 176.870 0.182 0.000 1.119 328 L CA 0.360 55.210 54.840 0.017 0.000 0.790 328 L CB 0.007 42.078 42.059 0.021 0.000 0.919 328 L HN 0.193 nan 8.230 nan 0.000 0.443 329 L N -0.919 120.352 121.223 0.079 0.000 2.667 329 L HA 0.151 4.491 4.340 0.000 0.000 0.232 329 L C 1.189 178.093 176.870 0.056 0.000 1.138 329 L CA 0.187 55.066 54.840 0.064 0.000 0.921 329 L CB -0.316 41.755 42.059 0.021 0.000 1.180 329 L HN 0.136 nan 8.230 nan 0.000 0.487 330 S N -2.285 113.463 115.700 0.080 0.000 2.601 330 S HA 0.133 4.603 4.470 0.000 0.000 0.271 330 S C 0.882 175.520 174.600 0.064 0.000 1.305 330 S CA -0.579 57.655 58.200 0.057 0.000 1.022 330 S CB 1.086 64.314 63.200 0.046 0.000 0.940 330 S HN 0.153 nan 8.310 nan 0.000 0.525 331 D N 1.207 121.623 120.400 0.025 0.000 2.178 331 D HA -0.111 4.529 4.640 0.000 0.000 0.201 331 D C 2.046 178.348 176.300 0.003 0.000 0.980 331 D CA 1.415 55.416 54.000 0.001 0.000 0.842 331 D CB -0.087 40.704 40.800 -0.014 0.000 0.948 331 D HN 0.896 nan 8.370 nan 0.000 0.472 332 E N -0.103 120.115 120.200 0.030 0.000 2.216 332 E HA -0.186 4.164 4.350 0.000 0.000 0.192 332 E C 1.958 178.608 176.600 0.082 0.000 0.988 332 E CA 0.528 56.949 56.400 0.035 0.000 0.834 332 E CB -0.682 29.038 29.700 0.033 0.000 0.772 332 E HN 0.351 nan 8.360 nan 0.000 0.479 333 Y N 2.210 122.492 120.300 -0.030 0.000 2.286 333 Y HA 0.133 4.683 4.550 0.000 0.000 0.293 333 Y C 2.533 178.419 175.900 -0.023 0.000 1.124 333 Y CA 0.870 58.954 58.100 -0.026 0.000 1.178 333 Y CB -0.516 37.926 38.460 -0.030 0.000 1.010 333 Y HN 0.098 nan 8.280 nan 0.000 0.536 334 A N -0.360 122.395 122.820 -0.109 0.000 1.873 334 A HA -0.252 4.068 4.320 0.000 0.000 0.218 334 A C 2.257 179.725 177.584 -0.193 0.000 1.193 334 A CA 2.725 54.650 52.037 -0.187 0.000 0.629 334 A CB -1.429 17.516 19.000 -0.092 0.000 0.826 334 A HN 0.484 nan 8.150 nan 0.000 0.447 335 T N -0.139 114.340 114.554 -0.125 0.000 2.759 335 T HA -0.138 4.212 4.350 0.000 0.000 0.269 335 T C 1.803 176.443 174.700 -0.100 0.000 1.042 335 T CA 1.435 63.468 62.100 -0.111 0.000 1.140 335 T CB -0.258 68.569 68.868 -0.069 0.000 0.864 335 T HN 0.483 nan 8.240 nan 0.000 0.455 336 E N 1.002 121.146 120.200 -0.093 0.000 2.077 336 E HA -0.083 4.267 4.350 0.000 0.000 0.193 336 E C 2.569 179.100 176.600 -0.114 0.000 0.989 336 E CA 0.863 57.224 56.400 -0.065 0.000 0.800 336 E CB -0.089 29.625 29.700 0.022 0.000 0.746 336 E HN 0.416 nan 8.360 nan 0.000 0.452 337 R N 0.293 120.647 120.500 -0.244 0.000 2.090 337 R HA -0.043 4.297 4.340 0.000 0.000 0.228 337 R C 2.436 178.670 176.300 -0.109 0.000 1.110 337 R CA 0.775 56.747 56.100 -0.214 0.000 0.973 337 R CB -0.410 29.677 30.300 -0.355 0.000 0.869 337 R HN 0.108 nan 8.270 nan 0.000 0.440 338 R N 1.717 122.147 120.500 -0.117 0.000 2.152 338 R HA -0.067 4.273 4.340 0.000 0.000 0.232 338 R C 1.715 178.024 176.300 0.014 0.000 1.117 338 R CA 1.316 57.379 56.100 -0.063 0.000 0.981 338 R CB 0.021 30.191 30.300 -0.218 0.000 0.870 338 R HN 0.040 nan 8.270 nan 0.000 0.451 339 K N 0.388 120.779 120.400 -0.015 0.000 2.283 339 K HA -0.095 4.226 4.320 0.000 0.000 0.202 339 K C 1.403 178.022 176.600 0.032 0.000 1.048 339 K CA 1.205 57.501 56.287 0.016 0.000 0.948 339 K CB 0.122 32.622 32.500 -0.000 0.000 0.742 339 K HN 0.404 nan 8.250 nan 0.000 0.458 340 E N 0.488 120.700 120.200 0.019 0.000 2.435 340 E HA 0.006 4.357 4.350 0.000 0.000 0.195 340 E C 0.232 176.855 176.600 0.039 0.000 1.029 340 E CA 0.214 56.627 56.400 0.022 0.000 0.865 340 E CB 0.184 29.886 29.700 0.004 0.000 0.833 340 E HN 0.278 nan 8.360 nan 0.000 0.510 341 I N 1.722 122.336 120.570 0.074 0.000 2.363 341 I HA 0.068 4.238 4.170 0.000 0.000 0.292 341 I C 0.931 177.118 176.117 0.116 0.000 1.075 341 I CA -0.285 61.074 61.300 0.098 0.000 1.333 341 I CB 0.932 39.036 38.000 0.174 0.000 1.415 341 I HN -0.060 nan 8.210 nan 0.000 0.502 342 G N 4.225 113.090 108.800 0.108 0.000 2.940 342 G HA2 0.214 4.174 3.960 0.000 0.000 0.164 342 G HA3 0.214 4.174 3.960 0.000 0.000 0.164 342 G C 0.436 175.418 174.900 0.137 0.000 1.326 342 G CA -0.161 44.998 45.100 0.098 0.000 1.020 342 G HN 0.612 nan 8.290 nan 0.000 0.586 343 E N -1.199 119.034 120.200 0.055 0.000 2.251 343 E HA 0.085 4.436 4.350 0.000 0.000 0.194 343 E C 0.397 176.950 176.600 -0.079 0.000 0.964 343 E CA 0.022 56.401 56.400 -0.035 0.000 0.868 343 E CB 0.229 29.895 29.700 -0.056 0.000 0.828 343 E HN 0.226 nan 8.360 nan 0.000 0.481 344 Q N 0.219 120.014 119.800 -0.008 0.000 2.260 344 Q HA 0.367 4.707 4.340 0.000 0.000 0.242 344 Q C -0.764 175.245 176.000 0.016 0.000 0.932 344 Q CA -0.256 55.532 55.803 -0.025 0.000 0.891 344 Q CB 1.636 30.357 28.738 -0.029 0.000 1.222 344 Q HN 0.170 nan 8.270 nan 0.000 0.453 345 A N 2.940 125.699 122.820 -0.101 0.000 2.444 345 A HA 0.317 4.637 4.320 0.000 0.000 0.273 345 A C 0.066 177.576 177.584 -0.124 0.000 1.136 345 A CA -0.388 51.504 52.037 -0.242 0.000 0.799 345 A CB -0.688 17.847 19.000 -0.775 0.000 1.081 345 A HN 0.544 nan 8.150 nan 0.000 0.509 346 L N 1.484 122.667 121.223 -0.066 0.000 2.464 346 L HA 0.595 4.936 4.340 0.000 0.000 0.264 346 L C 0.324 177.179 176.870 -0.024 0.000 1.199 346 L CA -0.092 54.728 54.840 -0.034 0.000 0.818 346 L CB -0.073 41.971 42.059 -0.024 0.000 1.102 346 L HN 0.410 nan 8.230 nan 0.000 0.473 347 T N 2.252 116.804 114.554 -0.002 0.000 2.743 347 T HA 0.436 4.787 4.350 0.000 0.000 0.293 347 T C -2.318 172.391 174.700 0.016 0.000 0.945 347 T CA -0.717 61.398 62.100 0.024 0.000 1.030 347 T CB 0.561 69.447 68.868 0.029 0.000 0.912 347 T HN 0.613 nan 8.240 nan 0.000 0.483 348 P HA 0.432 nan 4.420 nan 0.000 0.287 348 P C -0.586 176.724 177.300 0.017 0.000 1.281 348 P CA -0.476 62.608 63.100 -0.027 0.000 0.781 348 P CB 1.064 32.680 31.700 -0.140 0.000 0.903 349 E N 3.275 123.484 120.200 0.016 0.000 2.312 349 E HA 0.470 4.820 4.350 0.000 0.000 0.267 349 E C -2.465 174.167 176.600 0.054 0.000 0.894 349 E CA -2.115 54.307 56.400 0.037 0.000 0.773 349 E CB 1.234 30.956 29.700 0.037 0.000 1.241 349 E HN 0.304 nan 8.360 nan 0.000 0.432 350 P HA 0.155 nan 4.420 nan 0.000 0.270 350 P C 0.077 177.480 177.300 0.173 0.000 1.223 350 P CA -0.042 63.119 63.100 0.103 0.000 0.785 350 P CB 0.703 32.406 31.700 0.005 0.000 0.923 351 G N 0.092 109.078 108.800 0.309 0.000 3.271 351 G HA2 0.690 4.650 3.960 0.000 0.000 0.174 351 G HA3 0.690 4.650 3.960 0.000 0.000 0.174 351 G C -0.648 174.426 174.900 0.290 0.000 1.385 351 G CA -0.073 45.228 45.100 0.335 0.000 0.979 351 G HN 0.604 nan 8.290 nan 0.000 0.610 352 T N -2.194 112.460 114.554 0.166 0.000 2.648 352 T HA 0.604 4.955 4.350 0.000 0.000 0.304 352 T C -3.007 171.432 174.700 -0.434 0.000 1.312 352 T CA -0.955 61.106 62.100 -0.064 0.000 1.023 352 T CB 1.078 69.958 68.868 0.021 0.000 1.612 352 T HN 0.331 nan 8.240 nan 0.000 0.487 359 V N 0.577 120.524 119.914 0.056 0.000 2.444 359 V HA 0.832 4.952 4.120 0.000 0.000 0.294 359 V C -0.975 175.212 176.094 0.156 0.000 1.022 359 V CA -0.909 61.435 62.300 0.072 0.000 0.850 359 V CB 1.184 33.033 31.823 0.043 0.000 0.992 359 V HN 0.873 nan 8.190 nan 0.000 0.426 360 Y N 5.141 125.464 120.300 0.038 0.000 2.453 360 Y HA 0.857 5.408 4.550 0.000 0.000 0.326 360 Y C -0.657 175.282 175.900 0.066 0.000 1.186 360 Y CA -1.355 56.780 58.100 0.059 0.000 1.200 360 Y CB 1.835 40.314 38.460 0.031 0.000 1.247 360 Y HN 0.927 nan 8.280 nan 0.000 0.482 361 L N 3.778 124.340 121.223 -1.101 0.000 2.549 361 L HA 0.803 5.143 4.340 0.000 0.000 0.259 361 L C -2.011 174.365 176.870 -0.825 0.000 0.934 361 L CA -0.538 53.926 54.840 -0.626 0.000 0.865 361 L CB 1.703 43.630 42.059 -0.220 0.000 1.352 361 L HN 0.803 nan 8.230 nan 0.000 0.410 362 A N 2.196 124.785 122.820 -0.385 0.000 2.398 362 A HA 0.863 5.183 4.320 0.000 0.000 0.301 362 A C -0.653 176.887 177.584 -0.073 0.000 1.041 362 A CA -0.187 51.747 52.037 -0.172 0.000 0.711 362 A CB 1.818 20.782 19.000 -0.060 0.000 1.240 362 A HN 0.649 nan 8.150 nan 0.000 0.420 363 T N -0.889 113.662 114.554 -0.005 0.000 2.906 363 T HA 0.914 5.265 4.350 0.000 0.000 0.295 363 T C -0.411 174.336 174.700 0.077 0.000 1.061 363 T CA -0.187 61.925 62.100 0.020 0.000 1.000 363 T CB 1.856 70.728 68.868 0.007 0.000 1.103 363 T HN 2.122 nan 8.240 nan 0.000 0.486 364 A N 1.826 124.696 122.820 0.082 0.000 2.572 364 A HA 0.828 5.149 4.320 0.000 0.000 0.295 364 A C -1.400 176.264 177.584 0.134 0.000 1.072 364 A CA -0.909 51.199 52.037 0.119 0.000 0.691 364 A CB 1.626 20.687 19.000 0.102 0.000 1.291 364 A HN 1.067 nan 8.150 nan 0.000 0.404 365 D N -0.418 120.075 120.400 0.156 0.000 2.687 365 D HA 0.568 5.209 4.640 0.000 0.000 0.264 365 D C 0.985 177.387 176.300 0.170 0.000 1.091 365 D CA 0.121 54.232 54.000 0.185 0.000 1.123 365 D CB 0.604 41.519 40.800 0.192 0.000 1.407 365 D HN 0.555 nan 8.370 nan 0.000 0.591 366 G N -1.189 107.718 108.800 0.179 0.000 2.448 366 G HA2 -0.116 3.845 3.960 0.000 0.000 0.218 366 G HA3 -0.116 3.845 3.960 0.000 0.000 0.218 366 G C 0.540 175.516 174.900 0.128 0.000 1.135 366 G CA 0.264 45.446 45.100 0.137 0.000 0.784 366 G HN 0.511 nan 8.290 nan 0.000 0.543 367 D N 0.635 121.119 120.400 0.140 0.000 2.324 367 D HA 0.158 4.798 4.640 0.000 0.000 0.235 367 D C 1.909 178.297 176.300 0.146 0.000 1.095 367 D CA 0.775 54.851 54.000 0.127 0.000 0.871 367 D CB -0.081 40.790 40.800 0.119 0.000 0.906 367 D HN 0.365 nan 8.370 nan 0.000 0.522 368 G N 1.196 110.094 108.800 0.164 0.000 2.162 368 G HA2 -0.267 3.693 3.960 0.000 0.000 0.260 368 G HA3 -0.267 3.693 3.960 0.000 0.000 0.260 368 G C 0.179 175.257 174.900 0.296 0.000 0.976 368 G CA -0.376 44.851 45.100 0.211 0.000 0.655 368 G HN 0.241 nan 8.290 nan 0.000 0.533 369 N N 0.420 119.263 118.700 0.238 0.000 2.514 369 N HA 0.662 5.402 4.740 0.000 0.000 0.277 369 N C 0.367 176.034 175.510 0.262 0.000 1.126 369 N CA 0.453 53.653 53.050 0.250 0.000 0.978 369 N CB 0.866 39.452 38.487 0.164 0.000 1.106 369 N HN 0.366 nan 8.380 nan 0.000 0.461 370 M N 1.137 120.937 119.600 0.334 0.000 2.433 370 M HA 0.346 4.826 4.480 0.000 0.000 0.290 370 M C -1.101 175.438 176.300 0.398 0.000 1.173 370 M CA -0.992 54.523 55.300 0.357 0.000 0.905 370 M CB 2.855 35.734 32.600 0.465 0.000 1.692 370 M HN 0.203 nan 8.290 nan 0.000 0.462 371 V N 1.269 121.376 119.914 0.322 0.000 2.686 371 V HA 0.640 4.760 4.120 0.000 0.000 0.306 371 V C -1.239 175.033 176.094 0.296 0.000 1.065 371 V CA -0.170 62.325 62.300 0.324 0.000 0.894 371 V CB 2.252 34.222 31.823 0.245 0.000 1.004 371 V HN 0.907 nan 8.190 nan 0.000 0.424 372 S N 6.573 122.496 115.700 0.372 0.000 2.410 372 S HA 0.666 5.136 4.470 0.000 0.000 0.304 372 S C -1.083 173.701 174.600 0.307 0.000 1.095 372 S CA -0.375 58.022 58.200 0.328 0.000 1.089 372 S CB 0.047 63.475 63.200 0.380 0.000 0.968 372 S HN 0.765 nan 8.310 nan 0.000 0.480 373 F N 5.281 125.229 119.950 -0.002 0.000 2.551 373 F HA 0.783 5.310 4.527 0.000 0.000 0.316 373 F C -0.815 174.994 175.800 0.016 0.000 1.089 373 F CA -0.919 57.100 58.000 0.033 0.000 0.915 373 F CB 1.291 40.290 39.000 -0.002 0.000 1.186 373 F HN 0.528 nan 8.300 nan 0.000 0.456 374 I N 5.562 125.915 120.570 -0.362 0.000 2.680 374 I HA 0.324 4.494 4.170 0.000 0.000 0.291 374 I C -2.019 173.995 176.117 -0.172 0.000 1.244 374 I CA -0.127 61.152 61.300 -0.035 0.000 1.042 374 I CB 1.873 39.987 38.000 0.189 0.000 1.277 374 I HN 0.794 nan 8.210 nan 0.000 0.423 375 Q N 5.223 125.068 119.800 0.074 0.000 2.418 375 Q HA 0.762 5.102 4.340 0.000 0.000 0.282 375 Q C -1.798 174.288 176.000 0.143 0.000 1.044 375 Q CA -0.799 55.077 55.803 0.123 0.000 0.813 375 Q CB 2.388 31.283 28.738 0.261 0.000 1.428 375 Q HN 0.529 nan 8.270 nan 0.000 0.402 376 S N 0.538 116.326 115.700 0.146 0.000 2.537 376 S HA 0.391 4.861 4.470 0.000 0.000 0.271 376 S C -1.112 173.573 174.600 0.141 0.000 1.148 376 S CA -0.605 57.670 58.200 0.126 0.000 0.868 376 S CB 1.507 64.785 63.200 0.130 0.000 1.115 376 S HN 0.698 nan 8.310 nan 0.000 0.461 377 N N 1.837 120.607 118.700 0.116 0.000 2.313 377 N HA 0.215 4.955 4.740 0.000 0.000 0.207 377 N C 0.423 176.055 175.510 0.204 0.000 1.141 377 N CA 0.229 53.369 53.050 0.150 0.000 0.830 377 N CB -0.636 37.931 38.487 0.133 0.000 1.008 377 N HN 0.608 nan 8.380 nan 0.000 0.481 378 Y N 0.055 120.357 120.300 0.004 0.000 2.801 378 Y HA -0.414 4.136 4.550 0.000 0.000 0.472 378 Y C -0.309 175.573 175.900 -0.030 0.000 1.136 378 Y CA 1.250 59.325 58.100 -0.042 0.000 2.759 378 Y CB -1.053 37.371 38.460 -0.060 0.000 1.150 378 Y HN 0.121 nan 8.280 nan 0.000 0.614 379 M N 1.963 121.398 119.600 -0.276 0.000 2.497 379 M HA 0.334 4.814 4.480 0.000 0.000 0.336 379 M C 1.152 177.418 176.300 -0.057 0.000 1.378 379 M CA 0.746 55.854 55.300 -0.321 0.000 1.375 379 M CB 0.038 32.403 32.600 -0.391 0.000 1.337 379 M HN 0.849 nan 8.290 nan 0.000 0.461 380 G N 2.160 110.899 108.800 -0.103 0.000 2.634 380 G HA2 -0.353 3.607 3.960 0.000 0.000 0.318 380 G HA3 -0.353 3.607 3.960 0.000 0.000 0.318 380 G C 0.321 175.159 174.900 -0.104 0.000 1.207 380 G CA 0.525 45.556 45.100 -0.114 0.000 0.987 380 G HN 0.627 nan 8.290 nan 0.000 0.547 381 F N 3.388 123.326 119.950 -0.021 0.000 2.546 381 F HA 0.317 4.845 4.527 0.001 0.000 0.298 381 F C 2.274 178.167 175.800 0.156 0.000 1.120 381 F CA 2.375 60.399 58.000 0.040 0.000 1.456 381 F CB -0.266 38.848 39.000 0.191 0.000 1.088 381 F HN 1.432 nan 8.300 nan 0.000 0.572 382 G N 0.068 109.054 108.800 0.310 0.000 2.503 382 G HA2 -0.334 3.626 3.960 0.000 0.000 0.235 382 G HA3 -0.334 3.626 3.960 0.000 0.000 0.235 382 G C 1.035 176.156 174.900 0.368 0.000 1.179 382 G CA 0.158 45.433 45.100 0.292 0.000 0.944 382 G HN 0.405 nan 8.290 nan 0.000 0.580 383 S N 0.421 116.302 115.700 0.302 0.000 2.481 383 S HA 0.330 4.801 4.470 0.000 0.000 0.231 383 S C 2.583 177.235 174.600 0.085 0.000 0.996 383 S CA 1.807 60.166 58.200 0.265 0.000 0.942 383 S CB -0.057 63.268 63.200 0.209 0.000 0.768 383 S HN 2.890 nan 8.310 nan 0.000 0.520 384 G N 0.160 108.970 108.800 0.017 0.000 2.199 384 G HA2 -0.256 3.705 3.960 0.000 0.000 0.254 384 G HA3 -0.256 3.705 3.960 0.000 0.000 0.254 384 G C 0.087 174.942 174.900 -0.075 0.000 0.982 384 G CA 0.069 44.911 45.100 -0.429 0.000 0.632 384 G HN 0.796 nan 8.290 nan 0.000 0.529 385 V N 1.556 121.479 119.914 0.014 0.000 2.439 385 V HA 0.465 4.586 4.120 0.000 0.000 0.271 385 V C 0.589 176.788 176.094 0.176 0.000 1.040 385 V CA -0.208 62.111 62.300 0.031 0.000 1.002 385 V CB 1.444 33.242 31.823 -0.041 0.000 1.000 385 V HN 0.295 nan 8.190 nan 0.000 0.477 386 V N 6.097 126.090 119.914 0.131 0.000 2.409 386 V HA 0.303 4.423 4.120 0.000 0.000 0.291 386 V C 0.095 176.029 176.094 -0.266 0.000 1.020 386 V CA -0.767 61.583 62.300 0.083 0.000 0.848 386 V CB 1.912 33.840 31.823 0.175 0.000 0.990 386 V HN 0.618 nan 8.190 nan 0.000 0.430 387 V N 8.414 128.189 119.914 -0.230 0.000 2.493 387 V HA 0.099 4.220 4.120 0.000 0.000 0.292 387 V C -1.655 174.202 176.094 -0.395 0.000 1.016 387 V CA -0.945 61.090 62.300 -0.441 0.000 1.097 387 V CB 0.380 32.141 31.823 -0.104 0.000 0.947 387 V HN 0.738 nan 8.190 nan 0.000 0.479 388 P HA 0.111 nan 4.420 nan 0.000 0.268 388 P C 0.979 178.193 177.300 -0.143 0.000 1.205 388 P CA 1.077 64.003 63.100 -0.290 0.000 0.771 388 P CB 0.801 32.359 31.700 -0.236 0.000 0.858 389 G N 2.050 110.793 108.800 -0.097 0.000 2.196 389 G HA2 -0.311 3.650 3.960 0.000 0.000 0.268 389 G HA3 -0.311 3.650 3.960 0.000 0.000 0.268 389 G C 0.796 175.664 174.900 -0.054 0.000 0.975 389 G CA 0.877 45.941 45.100 -0.059 0.000 0.648 389 G HN 0.712 nan 8.290 nan 0.000 0.538 390 T N -1.219 113.290 114.554 -0.074 0.000 3.003 390 T HA 0.449 4.800 4.350 0.000 0.000 0.261 390 T C 1.996 176.625 174.700 -0.118 0.000 1.003 390 T CA 1.759 63.823 62.100 -0.060 0.000 0.917 390 T CB -0.487 68.361 68.868 -0.033 0.000 1.084 390 T HN 2.078 nan 8.240 nan 0.000 0.522 391 G N 2.001 110.705 108.800 -0.159 0.000 2.187 391 G HA2 -0.228 3.732 3.960 0.000 0.000 0.261 391 G HA3 -0.228 3.732 3.960 0.000 0.000 0.261 391 G C 0.127 174.827 174.900 -0.334 0.000 1.000 391 G CA 0.443 45.336 45.100 -0.345 0.000 0.718 391 G HN 0.639 nan 8.290 nan 0.000 0.519 392 I N 1.563 122.090 120.570 -0.071 0.000 2.329 392 I HA 0.438 4.608 4.170 0.000 0.000 0.295 392 I C 1.039 177.279 176.117 0.206 0.000 1.109 392 I CA -0.035 61.322 61.300 0.095 0.000 1.297 392 I CB 0.854 38.954 38.000 0.168 0.000 1.433 392 I HN 0.287 nan 8.210 nan 0.000 0.509 393 A N 8.608 131.629 122.820 0.335 0.000 2.354 393 A HA 0.555 4.876 4.320 0.000 0.000 0.281 393 A C 0.192 177.985 177.584 0.348 0.000 1.174 393 A CA -0.529 51.777 52.037 0.447 0.000 0.828 393 A CB 0.255 19.643 19.000 0.647 0.000 1.099 393 A HN 0.580 nan 8.150 nan 0.000 0.516 394 M N 2.803 122.603 119.600 0.333 0.000 2.211 394 M HA 0.163 4.644 4.480 0.000 0.000 0.356 394 M C 0.783 177.252 176.300 0.282 0.000 1.216 394 M CA -0.054 55.432 55.300 0.310 0.000 1.134 394 M CB 0.856 33.691 32.600 0.391 0.000 1.564 394 M HN 0.910 nan 8.290 nan 0.000 0.463 395 Q N 2.670 122.613 119.800 0.238 0.000 2.492 395 Q HA 0.110 4.450 4.340 0.000 0.000 0.238 395 Q C 0.156 176.291 176.000 0.225 0.000 1.045 395 Q CA -0.122 55.812 55.803 0.218 0.000 0.934 395 Q CB 0.359 29.203 28.738 0.176 0.000 1.276 395 Q HN 0.687 nan 8.270 nan 0.000 0.521 396 N N 0.415 119.258 118.700 0.238 0.000 2.338 396 N HA 0.035 4.775 4.740 0.000 0.000 0.251 396 N C 0.676 176.331 175.510 0.241 0.000 1.199 396 N CA -0.340 52.850 53.050 0.233 0.000 0.879 396 N CB 0.381 38.983 38.487 0.192 0.000 1.159 396 N HN 0.634 nan 8.380 nan 0.000 0.514 397 R N 1.213 121.782 120.500 0.116 0.000 2.133 397 R HA -0.052 4.288 4.340 0.000 0.000 0.247 397 R C 1.909 178.084 176.300 -0.208 0.000 1.151 397 R CA 1.946 57.939 56.100 -0.178 0.000 0.971 397 R CB -1.236 28.968 30.300 -0.160 0.000 0.866 397 R HN 0.403 nan 8.270 nan 0.000 0.447 398 G N -1.377 107.436 108.800 0.021 0.000 2.501 398 G HA2 -0.331 3.629 3.960 0.000 0.000 0.220 398 G HA3 -0.331 3.629 3.960 0.000 0.000 0.220 398 G C 1.289 176.283 174.900 0.157 0.000 1.114 398 G CA 1.139 46.332 45.100 0.155 0.000 0.757 398 G HN 0.613 nan 8.290 nan 0.000 0.559 399 H N 0.549 119.627 119.070 0.014 0.000 2.518 399 H HA 0.046 4.603 4.556 0.001 0.000 0.289 399 H C 2.275 177.593 175.328 -0.016 0.000 1.051 399 H CA 1.257 57.328 56.048 0.038 0.000 1.280 399 H CB 0.027 29.871 29.762 0.136 0.000 1.380 399 H HN 0.239 nan 8.280 nan 0.000 0.566 400 N N -0.204 118.387 118.700 -0.182 0.000 2.512 400 N HA -0.098 4.642 4.740 0.000 0.000 0.183 400 N C -0.467 174.907 175.510 -0.227 0.000 1.073 400 N CA 0.237 53.138 53.050 -0.249 0.000 0.911 400 N CB -0.052 38.186 38.487 -0.415 0.000 0.964 400 N HN 0.163 nan 8.380 nan 0.000 0.447 401 F N 0.883 120.763 119.950 -0.117 0.000 2.506 401 F HA 0.048 4.576 4.527 0.000 0.000 0.351 401 F C 1.324 177.029 175.800 -0.157 0.000 1.136 401 F CA -0.172 57.767 58.000 -0.100 0.000 1.298 401 F CB 0.575 39.532 39.000 -0.073 0.000 1.145 401 F HN -0.296 nan 8.300 nan 0.000 0.593 402 S N 2.757 118.504 115.700 0.079 0.000 2.585 402 S HA 0.455 4.925 4.470 0.000 0.000 0.277 402 S C 0.519 175.110 174.600 -0.015 0.000 1.241 402 S CA -0.679 57.473 58.200 -0.080 0.000 1.041 402 S CB 0.482 63.527 63.200 -0.259 0.000 0.987 402 S HN 0.638 nan 8.310 nan 0.000 0.512 403 L N 2.260 123.458 121.223 -0.041 0.000 2.728 403 L HA 0.318 4.658 4.340 0.000 0.000 0.238 403 L C 0.012 176.877 176.870 -0.009 0.000 1.143 403 L CA -0.064 54.763 54.840 -0.022 0.000 0.937 403 L CB 0.156 42.206 42.059 -0.016 0.000 1.225 403 L HN 0.568 nan 8.230 nan 0.000 0.507 404 D N 0.927 121.325 120.400 -0.005 0.000 2.339 404 D HA 0.151 4.791 4.640 0.000 0.000 0.241 404 D C -1.640 174.693 176.300 0.055 0.000 1.183 404 D CA -2.005 52.009 54.000 0.025 0.000 0.859 404 D CB 1.621 42.441 40.800 0.034 0.000 1.067 404 D HN -0.129 nan 8.370 nan 0.000 0.484 405 P HA -0.039 nan 4.420 nan 0.000 0.222 405 P C 0.230 177.561 177.300 0.052 0.000 1.147 405 P CA 0.953 64.075 63.100 0.037 0.000 0.790 405 P CB 0.173 31.885 31.700 0.019 0.000 0.780 406 N N -2.595 116.140 118.700 0.058 0.000 2.412 406 N HA -0.051 4.690 4.740 0.000 0.000 0.184 406 N C 0.482 176.027 175.510 0.059 0.000 1.101 406 N CA -0.091 52.989 53.050 0.049 0.000 0.881 406 N CB -0.385 38.121 38.487 0.032 0.000 0.969 406 N HN 0.271 nan 8.380 nan 0.000 0.459 407 H N 0.541 119.615 119.070 0.007 0.000 2.582 407 H HA 0.067 4.624 4.556 0.001 0.000 0.345 407 H C 0.481 175.828 175.328 0.032 0.000 1.104 407 H CA -0.225 55.826 56.048 0.005 0.000 1.390 407 H CB 0.809 30.567 29.762 -0.006 0.000 1.461 407 H HN -0.006 nan 8.280 nan 0.000 0.551 408 D N 2.593 122.973 120.400 -0.034 0.000 2.178 408 D HA -0.185 4.455 4.640 0.000 0.000 0.201 408 D C 0.824 177.264 176.300 0.234 0.000 0.980 408 D CA 1.169 55.223 54.000 0.091 0.000 0.842 408 D CB -0.040 40.786 40.800 0.044 0.000 0.948 408 D HN 0.530 nan 8.370 nan 0.000 0.472 409 N N 0.228 119.190 118.700 0.437 0.000 2.410 409 N HA 0.168 4.908 4.740 0.000 0.000 0.231 409 N C -0.658 175.048 175.510 0.327 0.000 1.172 409 N CA -0.192 53.075 53.050 0.362 0.000 0.849 409 N CB -0.020 38.636 38.487 0.282 0.000 1.116 409 N HN -0.021 nan 8.380 nan 0.000 0.485 410 A N 0.293 123.262 122.820 0.248 0.000 2.483 410 A HA 0.210 4.530 4.320 0.000 0.000 0.238 410 A C 0.066 177.689 177.584 0.064 0.000 1.070 410 A CA -0.448 51.672 52.037 0.138 0.000 0.770 410 A CB 0.079 19.129 19.000 0.083 0.000 1.008 410 A HN 0.485 nan 8.150 nan 0.000 0.497 411 L N 1.357 122.512 121.223 -0.115 0.000 2.462 411 L HA 0.458 4.798 4.340 0.000 0.000 0.272 411 L C 0.037 176.669 176.870 -0.397 0.000 1.166 411 L CA 0.948 55.450 54.840 -0.564 0.000 0.880 411 L CB -0.094 41.671 42.059 -0.490 0.000 1.142 411 L HN 0.654 nan 8.230 nan 0.000 0.473 412 K N 6.549 126.662 120.400 -0.478 0.000 2.468 412 K HA 0.605 4.926 4.320 0.000 0.000 0.252 412 K C -2.699 173.753 176.600 -0.248 0.000 0.932 412 K CA -1.920 54.222 56.287 -0.241 0.000 0.794 412 K CB 2.112 34.550 32.500 -0.103 0.000 1.241 412 K HN 0.364 nan 8.250 nan 0.000 0.428 413 P HA 0.071 nan 4.420 nan 0.000 0.268 413 P C 0.262 177.534 177.300 -0.047 0.000 1.204 413 P CA 0.667 63.702 63.100 -0.108 0.000 0.768 413 P CB 0.778 32.437 31.700 -0.068 0.000 0.842 414 G N 1.571 110.364 108.800 -0.012 0.000 2.148 414 G HA2 -0.262 3.699 3.960 0.000 0.000 0.254 414 G HA3 -0.262 3.699 3.960 0.000 0.000 0.254 414 G C 0.102 175.042 174.900 0.066 0.000 0.981 414 G CA 0.316 45.437 45.100 0.033 0.000 0.670 414 G HN 0.768 nan 8.290 nan 0.000 0.528 415 K N 0.584 121.034 120.400 0.083 0.000 2.164 415 K HA 0.579 4.899 4.320 0.000 0.000 0.258 415 K C 0.692 177.499 176.600 0.345 0.000 0.951 415 K CA -1.099 55.291 56.287 0.171 0.000 0.844 415 K CB 0.690 33.278 32.500 0.146 0.000 1.099 415 K HN 0.391 nan 8.250 nan 0.000 0.435 416 R N 1.665 122.339 120.500 0.290 0.000 2.474 416 R HA 0.250 4.590 4.340 0.000 0.000 0.295 416 R C -0.324 176.072 176.300 0.161 0.000 0.980 416 R CA -0.717 55.538 56.100 0.258 0.000 0.934 416 R CB 1.445 31.841 30.300 0.161 0.000 1.101 416 R HN 0.559 nan 8.270 nan 0.000 0.469 417 T N 1.092 115.548 114.554 -0.164 0.000 2.849 417 T HA 0.068 4.418 4.350 0.000 0.000 0.284 417 T C -0.446 174.187 174.700 -0.112 0.000 1.004 417 T CA -0.489 61.323 62.100 -0.481 0.000 1.021 417 T CB 0.248 68.326 68.868 -1.318 0.000 1.013 417 T HN 0.458 nan 8.240 nan 0.000 0.527 418 Y N 3.687 123.879 120.300 -0.179 0.000 2.916 418 Y HA 0.019 4.569 4.550 0.000 0.000 0.344 418 Y C 0.355 176.147 175.900 -0.180 0.000 1.282 418 Y CA 0.674 58.717 58.100 -0.095 0.000 1.604 418 Y CB -0.241 38.194 38.460 -0.042 0.000 1.207 418 Y HN 0.583 nan 8.280 nan 0.000 0.561 419 H N 5.164 123.941 119.070 -0.488 0.000 2.489 419 H HA 0.167 4.723 4.556 0.000 0.000 0.343 419 H C 0.860 175.831 175.328 -0.595 0.000 1.086 419 H CA 0.395 56.188 56.048 -0.425 0.000 1.198 419 H CB 1.900 31.509 29.762 -0.256 0.000 1.490 419 H HN 0.867 nan 8.280 nan 0.000 0.504 420 T N 1.408 115.709 114.554 -0.422 0.000 2.978 420 T HA 0.123 4.474 4.350 0.000 0.000 0.262 420 T C 1.351 175.885 174.700 -0.276 0.000 1.063 420 T CA 0.040 61.903 62.100 -0.395 0.000 1.140 420 T CB 0.155 68.778 68.868 -0.407 0.000 0.886 420 T HN 0.408 nan 8.240 nan 0.000 0.470 421 I N 3.502 124.000 120.570 -0.120 0.000 2.752 421 I HA 0.141 4.312 4.170 0.000 0.000 0.286 421 I C -0.117 175.760 176.117 -0.400 0.000 1.180 421 I CA 0.265 61.485 61.300 -0.133 0.000 1.404 421 I CB 0.044 38.091 38.000 0.078 0.000 1.389 421 I HN 0.450 nan 8.210 nan 0.000 0.549 422 I N 6.743 127.125 120.570 -0.312 0.000 2.497 422 I HA 0.532 4.702 4.170 0.000 0.000 0.284 422 I C -2.867 173.170 176.117 -0.134 0.000 1.060 422 I CA -2.171 58.919 61.300 -0.350 0.000 1.071 422 I CB 2.137 39.860 38.000 -0.462 0.000 1.216 422 I HN 0.156 nan 8.210 nan 0.000 0.442 423 P HA 0.387 nan 4.420 nan 0.000 0.290 423 P C -0.088 177.198 177.300 -0.024 0.000 1.276 423 P CA 0.172 63.304 63.100 0.053 0.000 0.808 423 P CB 1.811 33.601 31.700 0.149 0.000 0.966 424 G N 2.028 110.606 108.800 -0.370 0.000 2.441 424 G HA2 0.659 4.619 3.960 0.000 0.000 0.334 424 G HA3 0.659 4.619 3.960 0.000 0.000 0.334 424 G C -1.949 172.579 174.900 -0.620 0.000 1.161 424 G CA -0.584 44.015 45.100 -0.835 0.000 0.935 424 G HN 0.424 nan 8.290 nan 0.000 0.488 425 F N 0.243 120.087 119.950 -0.175 0.000 2.591 425 F HA 0.645 5.173 4.527 0.000 0.000 0.309 425 F C -1.134 175.041 175.800 0.626 0.000 1.098 425 F CA -0.987 57.164 58.000 0.252 0.000 0.937 425 F CB 2.452 41.580 39.000 0.213 0.000 1.250 425 F HN 0.462 nan 8.300 nan 0.000 0.447 426 L N 3.413 124.961 121.223 0.543 0.000 2.365 426 L HA 0.761 5.101 4.340 0.000 0.000 0.273 426 L C -0.922 176.194 176.870 0.411 0.000 1.000 426 L CA 0.084 55.199 54.840 0.458 0.000 0.819 426 L CB 2.096 44.166 42.059 0.018 0.000 1.284 426 L HN 0.621 nan 8.230 nan 0.000 0.418 427 T N 4.159 118.991 114.554 0.464 0.000 2.912 427 T HA 0.474 4.824 4.350 0.000 0.000 0.299 427 T C -1.388 173.445 174.700 0.221 0.000 1.052 427 T CA -0.708 61.599 62.100 0.345 0.000 0.996 427 T CB 1.620 70.835 68.868 0.580 0.000 1.070 427 T HN 0.536 nan 8.240 nan 0.000 0.465 428 K N 2.773 123.199 120.400 0.044 0.000 2.613 428 K HA 0.326 4.647 4.320 0.000 0.000 0.248 428 K C -0.622 175.928 176.600 -0.084 0.000 0.959 428 K CA -0.546 55.660 56.287 -0.135 0.000 0.855 428 K CB 0.445 32.687 32.500 -0.430 0.000 1.143 428 K HN 0.627 nan 8.250 nan 0.000 0.437 429 N N 3.617 122.291 118.700 -0.044 0.000 2.727 429 N HA -0.206 4.534 4.740 0.000 0.000 0.251 429 N C -0.702 174.840 175.510 0.053 0.000 1.040 429 N CA 1.562 54.609 53.050 -0.005 0.000 0.712 429 N CB -1.125 37.336 38.487 -0.044 0.000 0.912 429 N HN 1.040 nan 8.380 nan 0.000 0.545 430 D N -1.568 118.904 120.400 0.121 0.000 2.811 430 D HA -0.210 4.431 4.640 0.000 0.000 0.231 430 D C -0.721 175.682 176.300 0.172 0.000 1.157 430 D CA 1.387 55.502 54.000 0.191 0.000 0.716 430 D CB -0.174 40.726 40.800 0.168 0.000 1.077 430 D HN 0.437 nan 8.370 nan 0.000 0.428 431 Q N -0.009 119.819 119.800 0.047 0.000 2.337 431 Q HA 0.490 4.830 4.340 0.000 0.000 0.266 431 Q C -2.390 173.451 176.000 -0.265 0.000 1.023 431 Q CA -1.685 54.086 55.803 -0.054 0.000 0.829 431 Q CB 2.015 30.732 28.738 -0.035 0.000 1.306 431 Q HN 0.195 nan 8.270 nan 0.000 0.449 432 P HA 0.206 nan 4.420 nan 0.000 0.285 432 P C 0.240 177.408 177.300 -0.220 0.000 1.259 432 P CA -0.088 62.592 63.100 -0.699 0.000 0.794 432 P CB 0.838 31.675 31.700 -1.437 0.000 0.940 433 I N 0.476 121.004 120.570 -0.069 0.000 3.883 433 I HA 0.532 4.702 4.170 0.000 0.000 0.305 433 I C 0.541 176.694 176.117 0.060 0.000 1.247 433 I CA 0.099 61.370 61.300 -0.048 0.000 1.350 433 I CB 0.495 38.418 38.000 -0.129 0.000 1.194 433 I HN 0.480 nan 8.210 nan 0.000 0.441 434 G N 1.545 110.260 108.800 -0.141 0.000 2.352 434 G HA2 0.234 4.194 3.960 0.000 0.000 0.302 434 G HA3 0.234 4.194 3.960 0.000 0.000 0.302 434 G C -3.412 170.985 174.900 -0.838 0.000 1.370 434 G CA -0.669 44.237 45.100 -0.324 0.000 0.918 434 G HN -0.031 nan 8.290 nan 0.000 0.610 435 P HA 0.671 nan 4.420 nan 0.000 0.282 435 P C -1.024 176.276 177.300 -0.000 0.000 1.249 435 P CA -0.311 62.631 63.100 -0.263 0.000 0.806 435 P CB 0.912 32.636 31.700 0.040 0.000 0.984 436 F N -1.279 118.643 119.950 -0.046 0.000 2.693 436 F HA 0.855 5.382 4.527 0.001 0.000 0.309 436 F C -1.073 174.432 175.800 -0.491 0.000 1.129 436 F CA -0.895 56.967 58.000 -0.229 0.000 0.948 436 F CB 1.357 40.193 39.000 -0.275 0.000 1.315 436 F HN 0.594 nan 8.300 nan 0.000 0.447 437 G N 0.522 108.835 108.800 -0.812 0.000 2.733 437 G HA2 0.537 4.497 3.960 0.000 0.000 0.297 437 G HA3 0.537 4.497 3.960 0.000 0.000 0.297 437 G C -2.581 171.936 174.900 -0.637 0.000 1.452 437 G CA -0.842 43.536 45.100 -1.202 0.000 0.940 437 G HN 0.934 nan 8.290 nan 0.000 0.547 438 V N 4.351 124.155 119.914 -0.183 0.000 2.327 438 V HA 0.352 4.473 4.120 0.000 0.000 0.272 438 V C 0.773 176.860 176.094 -0.011 0.000 1.019 438 V CA -0.867 61.403 62.300 -0.050 0.000 0.814 438 V CB 1.159 33.002 31.823 0.033 0.000 1.040 438 V HN 0.910 nan 8.190 nan 0.000 0.440 439 M N 2.984 122.573 119.600 -0.019 0.000 2.134 439 M HA 0.037 4.518 4.480 0.000 0.000 0.346 439 M C 0.950 177.247 176.300 -0.005 0.000 0.999 439 M CA 2.316 57.621 55.300 0.010 0.000 0.872 439 M CB -0.006 32.614 32.600 0.033 0.000 1.633 439 M HN 1.080 nan 8.290 nan 0.000 0.468 440 G N 2.410 111.197 108.800 -0.021 0.000 2.263 440 G HA2 0.305 4.266 3.960 0.000 0.000 0.207 440 G HA3 0.305 4.266 3.960 0.000 0.000 0.207 440 G C 0.594 175.482 174.900 -0.021 0.000 1.072 440 G CA 0.273 45.355 45.100 -0.030 0.000 0.800 440 G HN 1.732 nan 8.290 nan 0.000 0.491 441 G N 0.179 108.953 108.800 -0.043 0.000 2.574 441 G HA2 -0.270 3.690 3.960 0.000 0.000 0.301 441 G HA3 -0.270 3.690 3.960 0.000 0.000 0.301 441 G C 0.910 175.754 174.900 -0.094 0.000 1.166 441 G CA 0.944 45.998 45.100 -0.078 0.000 0.971 441 G HN 0.974 nan 8.290 nan 0.000 0.542 442 F N 0.906 120.937 119.950 0.134 0.000 2.811 442 F HA 0.324 4.851 4.527 0.000 0.000 0.301 442 F C 2.572 178.526 175.800 0.257 0.000 1.151 442 F CA 1.431 59.584 58.000 0.256 0.000 1.412 442 F CB 0.106 39.180 39.000 0.123 0.000 1.113 442 F HN 0.305 nan 8.300 nan 0.000 0.579 443 M N 0.201 119.943 119.600 0.237 0.000 2.319 443 M HA -0.148 4.332 4.480 0.000 0.000 0.265 443 M C 2.002 178.392 176.300 0.149 0.000 1.068 443 M CA 1.658 57.054 55.300 0.161 0.000 1.118 443 M CB -0.421 32.205 32.600 0.043 0.000 1.395 443 M HN 0.119 nan 8.290 nan 0.000 0.435 444 Q N 0.417 120.271 119.800 0.088 0.000 2.029 444 Q HA -0.187 4.153 4.340 0.000 0.000 0.209 444 Q C -0.524 175.416 176.000 -0.099 0.000 0.999 444 Q CA 2.251 58.033 55.803 -0.035 0.000 0.857 444 Q CB -1.907 26.737 28.738 -0.157 0.000 0.926 444 Q HN 0.433 nan 8.270 nan 0.000 0.415 445 P HA -0.168 nan 4.420 nan 0.000 0.217 445 P C 1.009 178.348 177.300 0.065 0.000 1.150 445 P CA 1.369 64.393 63.100 -0.127 0.000 0.832 445 P CB -0.120 31.429 31.700 -0.251 0.000 0.787 446 Q N -0.722 119.177 119.800 0.165 0.000 2.084 446 Q HA -0.093 4.248 4.340 0.000 0.000 0.202 446 Q C 2.453 178.385 176.000 -0.113 0.000 0.978 446 Q CA 1.721 57.566 55.803 0.070 0.000 0.844 446 Q CB -1.301 27.498 28.738 0.101 0.000 0.898 446 Q HN 0.268 nan 8.270 nan 0.000 0.426 447 G N 0.633 109.415 108.800 -0.030 0.000 2.422 447 G HA2 -0.262 3.698 3.960 0.000 0.000 0.218 447 G HA3 -0.262 3.698 3.960 0.000 0.000 0.218 447 G C 1.092 176.038 174.900 0.076 0.000 1.146 447 G CA 0.792 45.886 45.100 -0.012 0.000 0.769 447 G HN 0.409 nan 8.290 nan 0.000 0.547 448 H N -0.755 118.313 119.070 -0.003 0.000 2.321 448 H HA -0.019 4.538 4.556 0.000 0.000 0.300 448 H C 2.560 177.865 175.328 -0.038 0.000 1.087 448 H CA 1.350 57.447 56.048 0.082 0.000 1.319 448 H CB -0.016 29.834 29.762 0.147 0.000 1.379 448 H HN 0.311 nan 8.280 nan 0.000 0.501 449 M N 0.820 120.470 119.600 0.084 0.000 2.108 449 M HA -0.237 4.243 4.480 0.000 0.000 0.261 449 M C 2.138 178.399 176.300 -0.066 0.000 1.066 449 M CA 1.707 57.001 55.300 -0.011 0.000 1.107 449 M CB 0.041 32.694 32.600 0.088 0.000 1.356 449 M HN 0.293 nan 8.290 nan 0.000 0.406 450 Q N -0.704 119.060 119.800 -0.061 0.000 2.046 450 Q HA -0.167 4.173 4.340 0.000 0.000 0.200 450 Q C 2.036 177.984 176.000 -0.087 0.000 0.975 450 Q CA 2.068 57.837 55.803 -0.056 0.000 0.836 450 Q CB -0.396 28.250 28.738 -0.154 0.000 0.896 450 Q HN 0.678 nan 8.270 nan 0.000 0.428 451 V N -2.024 117.808 119.914 -0.137 0.000 2.515 451 V HA -0.202 3.919 4.120 0.000 0.000 0.250 451 V C 2.010 177.941 176.094 -0.273 0.000 1.058 451 V CA 1.252 63.444 62.300 -0.181 0.000 1.064 451 V CB -0.436 31.262 31.823 -0.208 0.000 0.675 451 V HN 0.263 nan 8.190 nan 0.000 0.461 452 M N -0.402 118.973 119.600 -0.375 0.000 2.175 452 M HA 0.002 4.482 4.480 0.000 0.000 0.264 452 M C 2.271 178.326 176.300 -0.408 0.000 1.063 452 M CA 1.952 56.974 55.300 -0.465 0.000 1.119 452 M CB -0.866 31.435 32.600 -0.499 0.000 1.377 452 M HN 0.417 nan 8.290 nan 0.000 0.415 453 M N -0.367 119.022 119.600 -0.351 0.000 2.156 453 M HA -0.171 4.309 4.480 0.000 0.000 0.264 453 M C 1.635 177.708 176.300 -0.378 0.000 1.067 453 M CA 1.148 56.203 55.300 -0.408 0.000 1.131 453 M CB -0.689 31.723 32.600 -0.313 0.000 1.368 453 M HN 0.224 nan 8.290 nan 0.000 0.416 454 N N 0.273 118.926 118.700 -0.078 0.000 2.094 454 N HA -0.122 4.618 4.740 0.000 0.000 0.191 454 N C 1.607 177.095 175.510 -0.037 0.000 1.023 454 N CA 1.883 54.980 53.050 0.079 0.000 0.857 454 N CB -0.711 37.800 38.487 0.041 0.000 1.013 454 N HN 0.334 nan 8.380 nan 0.000 0.426 455 T N 0.782 115.244 114.554 -0.153 0.000 2.781 455 T HA 0.170 4.520 4.350 0.000 0.000 0.252 455 T C 2.146 176.649 174.700 -0.329 0.000 1.039 455 T CA 0.509 62.492 62.100 -0.194 0.000 1.147 455 T CB -0.111 68.618 68.868 -0.232 0.000 0.865 455 T HN 0.079 nan 8.240 nan 0.000 0.423 456 I N 1.237 121.546 120.570 -0.435 0.000 2.277 456 I HA -0.091 4.080 4.170 0.000 0.000 0.243 456 I C 2.236 178.164 176.117 -0.316 0.000 1.094 456 I CA 1.120 62.148 61.300 -0.455 0.000 1.393 456 I CB -0.189 37.588 38.000 -0.373 0.000 1.078 456 I HN 0.124 nan 8.210 nan 0.000 0.417 457 D N 0.291 120.409 120.400 -0.470 0.000 2.162 457 D HA -0.049 4.591 4.640 0.000 0.000 0.203 457 D C 1.527 177.501 176.300 -0.543 0.000 0.967 457 D CA 1.463 55.049 54.000 -0.690 0.000 0.840 457 D CB 0.153 40.104 40.800 -1.415 0.000 0.972 457 D HN 0.290 nan 8.370 nan 0.000 0.482 458 F N -0.760 119.139 119.950 -0.086 0.000 2.706 458 F HA 0.339 4.866 4.527 0.000 0.000 0.313 458 F C 1.644 177.407 175.800 -0.062 0.000 1.096 458 F CA -0.238 57.707 58.000 -0.091 0.000 1.219 458 F CB 0.181 39.082 39.000 -0.165 0.000 1.051 458 F HN -0.079 nan 8.300 nan 0.000 0.568 459 G N 1.333 110.158 108.800 0.041 0.000 2.198 459 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 459 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 459 G C -0.069 174.861 174.900 0.051 0.000 1.025 459 G CA -0.262 44.855 45.100 0.029 0.000 0.769 459 G HN 0.126 nan 8.290 nan 0.000 0.507 460 L N 1.034 122.292 121.223 0.058 0.000 2.426 460 L HA 0.362 4.703 4.340 0.000 0.000 0.271 460 L C 1.042 177.961 176.870 0.082 0.000 1.169 460 L CA -0.621 54.256 54.840 0.063 0.000 0.836 460 L CB 0.357 42.449 42.059 0.055 0.000 1.112 460 L HN 0.610 nan 8.230 nan 0.000 0.465 461 N N 4.865 123.614 118.700 0.081 0.000 2.415 461 N HA 0.162 4.902 4.740 0.000 0.000 0.248 461 N C -2.033 173.514 175.510 0.062 0.000 1.271 461 N CA -0.930 52.178 53.050 0.098 0.000 0.913 461 N CB -0.104 38.432 38.487 0.081 0.000 1.129 461 N HN 0.345 nan 8.380 nan 0.000 0.444 462 P HA -0.271 nan 4.420 nan 0.000 0.216 462 P C 1.094 178.313 177.300 -0.134 0.000 1.154 462 P CA 1.697 64.692 63.100 -0.174 0.000 0.865 462 P CB 0.209 31.687 31.700 -0.371 0.000 0.789 463 Q N 0.182 119.930 119.800 -0.088 0.000 2.016 463 Q HA -0.045 4.296 4.340 0.000 0.000 0.200 463 Q C 2.331 178.310 176.000 -0.034 0.000 0.978 463 Q CA 2.109 57.876 55.803 -0.060 0.000 0.833 463 Q CB -1.492 27.224 28.738 -0.037 0.000 0.895 463 Q HN 0.127 nan 8.270 nan 0.000 0.427 464 A N 0.524 123.338 122.820 -0.011 0.000 1.927 464 A HA -0.202 4.119 4.320 0.000 0.000 0.220 464 A C 2.286 179.867 177.584 -0.006 0.000 1.185 464 A CA 2.373 54.410 52.037 -0.000 0.000 0.639 464 A CB -1.293 17.718 19.000 0.018 0.000 0.820 464 A HN 0.524 nan 8.150 nan 0.000 0.451 465 A N -1.303 121.514 122.820 -0.006 0.000 1.972 465 A HA 0.012 4.332 4.320 0.000 0.000 0.219 465 A C 1.980 179.544 177.584 -0.034 0.000 1.169 465 A CA 1.720 53.750 52.037 -0.012 0.000 0.635 465 A CB -0.372 18.625 19.000 -0.006 0.000 0.810 465 A HN 0.412 nan 8.150 nan 0.000 0.446 466 L N -0.265 120.930 121.223 -0.048 0.000 2.209 466 L HA -0.012 4.328 4.340 0.000 0.000 0.207 466 L C 1.552 178.403 176.870 -0.032 0.000 1.094 466 L CA 1.556 56.368 54.840 -0.048 0.000 0.790 466 L CB -0.804 41.219 42.059 -0.060 0.000 0.932 466 L HN 0.305 nan 8.230 nan 0.000 0.447 467 D N 0.164 120.548 120.400 -0.027 0.000 2.144 467 D HA -0.014 4.627 4.640 0.000 0.000 0.200 467 D C 1.166 177.453 176.300 -0.021 0.000 0.978 467 D CA 0.785 54.772 54.000 -0.023 0.000 0.833 467 D CB -0.099 40.691 40.800 -0.017 0.000 0.961 467 D HN 0.228 nan 8.370 nan 0.000 0.470 468 A N 2.645 125.456 122.820 -0.016 0.000 2.587 468 A HA 0.118 4.438 4.320 0.000 0.000 0.235 468 A C -2.013 175.568 177.584 -0.005 0.000 1.044 468 A CA -0.638 51.394 52.037 -0.007 0.000 0.754 468 A CB -0.302 18.701 19.000 0.005 0.000 0.968 468 A HN 0.014 nan 8.150 nan 0.000 0.509 469 P HA 0.197 nan 4.420 nan 0.000 0.268 469 P C -0.492 176.855 177.300 0.080 0.000 1.205 469 P CA 0.300 63.399 63.100 -0.002 0.000 0.771 469 P CB 0.561 32.247 31.700 -0.022 0.000 0.858 470 R N 2.010 122.498 120.500 -0.019 0.000 2.778 470 R HA 0.570 4.910 4.340 0.000 0.000 0.277 470 R C -0.275 176.072 176.300 0.079 0.000 0.977 470 R CA -0.650 55.442 56.100 -0.013 0.000 0.950 470 R CB 1.797 32.063 30.300 -0.057 0.000 1.165 470 R HN 0.637 nan 8.270 nan 0.000 0.474 471 W N 1.109 122.555 121.300 0.244 0.000 2.736 471 W HA 0.528 5.189 4.660 0.001 0.000 0.355 471 W C -1.258 175.466 176.519 0.342 0.000 1.102 471 W CA -1.025 56.443 57.345 0.205 0.000 1.164 471 W CB 1.005 30.509 29.460 0.074 0.000 1.422 471 W HN 0.613 nan 8.180 nan 0.000 0.572 472 Q N 0.975 121.161 119.800 0.643 0.000 2.295 472 Q HA 0.306 4.646 4.340 0.000 0.000 0.268 472 Q C -2.024 174.253 176.000 0.462 0.000 1.010 472 Q CA -0.688 55.403 55.803 0.480 0.000 0.856 472 Q CB 1.945 30.775 28.738 0.154 0.000 1.349 472 Q HN 0.563 nan 8.270 nan 0.000 0.412 473 W N 4.655 126.169 121.300 0.355 0.000 2.272 473 W HA 0.406 5.067 4.660 0.001 0.000 0.318 473 W C 0.229 176.742 176.519 -0.010 0.000 1.255 473 W CA 0.856 58.296 57.345 0.158 0.000 1.200 473 W CB 1.575 31.139 29.460 0.172 0.000 1.170 473 W HN 0.943 nan 8.180 nan 0.000 0.549 474 T N 1.295 115.244 114.554 -1.007 0.000 3.311 474 T HA 0.180 4.530 4.350 0.000 0.000 0.239 474 T C 0.987 174.800 174.700 -1.478 0.000 0.976 474 T CA 0.695 62.145 62.100 -1.083 0.000 1.283 474 T CB -0.090 68.459 68.868 -0.532 0.000 1.113 474 T HN 0.442 nan 8.240 nan 0.000 0.392 475 N N 1.114 119.236 118.700 -0.964 0.000 2.518 475 N HA 0.441 5.181 4.740 0.000 0.000 0.230 475 N C 1.675 177.106 175.510 -0.132 0.000 1.022 475 N CA 1.283 54.024 53.050 -0.515 0.000 1.172 475 N CB -0.396 37.937 38.487 -0.256 0.000 1.498 475 N HN 0.548 nan 8.380 nan 0.000 0.602 476 G N 0.200 109.057 108.800 0.095 0.000 2.467 476 G HA2 0.140 4.100 3.960 0.000 0.000 0.178 476 G HA3 0.140 4.100 3.960 0.000 0.000 0.178 476 G C 0.740 175.868 174.900 0.380 0.000 1.461 476 G CA -0.011 45.270 45.100 0.300 0.000 0.675 476 G HN 0.079 nan 8.290 nan 0.000 0.659 477 K N 0.644 121.165 120.400 0.201 0.000 2.374 477 K HA 0.246 4.566 4.320 0.000 0.000 0.196 477 K C 0.226 176.950 176.600 0.207 0.000 1.023 477 K CA -0.132 56.266 56.287 0.186 0.000 1.103 477 K CB 0.608 33.150 32.500 0.071 0.000 0.848 477 K HN 0.125 nan 8.250 nan 0.000 0.528 478 Q N 1.684 121.567 119.800 0.137 0.000 2.281 478 Q HA 0.122 4.462 4.340 0.000 0.000 0.267 478 Q C -0.683 175.361 176.000 0.073 0.000 1.053 478 Q CA 0.326 56.152 55.803 0.038 0.000 0.905 478 Q CB 1.245 29.925 28.738 -0.096 0.000 1.195 478 Q HN -0.077 nan 8.270 nan 0.000 0.398 479 V N 4.105 124.082 119.914 0.103 0.000 2.483 479 V HA 0.242 4.363 4.120 0.000 0.000 0.297 479 V C -0.161 175.973 176.094 0.067 0.000 1.027 479 V CA -0.830 61.547 62.300 0.129 0.000 0.855 479 V CB 1.951 33.838 31.823 0.106 0.000 0.995 479 V HN 0.661 nan 8.190 nan 0.000 0.424 480 Q N 2.832 122.696 119.800 0.107 0.000 2.259 480 Q HA 0.708 5.048 4.340 0.000 0.000 0.249 480 Q C -0.444 175.725 176.000 0.283 0.000 0.914 480 Q CA -0.503 55.391 55.803 0.152 0.000 0.904 480 Q CB 2.379 31.171 28.738 0.091 0.000 1.213 480 Q HN 0.758 nan 8.270 nan 0.000 0.428 481 V N -1.492 118.519 119.914 0.161 0.000 3.074 481 V HA 0.511 4.632 4.120 0.000 0.000 0.314 481 V C -0.474 175.522 176.094 -0.162 0.000 1.117 481 V CA -1.117 61.134 62.300 -0.082 0.000 1.014 481 V CB 2.027 33.472 31.823 -0.630 0.000 1.057 481 V HN 0.726 nan 8.190 nan 0.000 0.438 482 E N 2.061 121.954 120.200 -0.511 0.000 2.374 482 E HA 0.287 4.637 4.350 0.000 0.000 0.260 482 E C -1.905 174.618 176.600 -0.128 0.000 1.101 482 E CA -1.626 54.460 56.400 -0.523 0.000 0.907 482 E CB 1.432 30.771 29.700 -0.601 0.000 1.014 482 E HN 0.587 nan 8.360 nan 0.000 0.427 483 P HA -0.161 nan 4.420 nan 0.000 0.220 483 P C 0.990 178.292 177.300 0.004 0.000 1.144 483 P CA 1.355 64.450 63.100 -0.009 0.000 0.800 483 P CB 0.197 31.895 31.700 -0.003 0.000 0.772 484 T N -3.087 111.459 114.554 -0.013 0.000 3.054 484 T HA 0.134 4.485 4.350 0.000 0.000 0.255 484 T C 0.160 174.862 174.700 0.004 0.000 1.035 484 T CA -0.653 61.441 62.100 -0.010 0.000 0.941 484 T CB -0.787 68.062 68.868 -0.033 0.000 1.026 484 T HN -0.207 nan 8.240 nan 0.000 0.533 485 F N 4.854 124.729 119.950 -0.125 0.000 2.538 485 F HA 0.337 4.864 4.527 0.000 0.000 0.371 485 F C -1.835 173.899 175.800 -0.111 0.000 1.087 485 F CA -2.479 55.438 58.000 -0.138 0.000 1.250 485 F CB 0.672 39.569 39.000 -0.172 0.000 1.110 485 F HN 0.077 nan 8.300 nan 0.000 0.570 486 P HA -0.058 nan 4.420 nan 0.000 0.262 486 P C 0.709 178.017 177.300 0.012 0.000 1.199 486 P CA 0.224 63.221 63.100 -0.172 0.000 0.763 486 P CB 0.918 32.451 31.700 -0.278 0.000 0.790 487 V N 3.002 122.942 119.914 0.043 0.000 2.358 487 V HA -0.224 3.896 4.120 0.000 0.000 0.246 487 V C 2.228 178.359 176.094 0.062 0.000 1.047 487 V CA 2.346 64.689 62.300 0.073 0.000 1.035 487 V CB -1.157 30.692 31.823 0.044 0.000 0.658 487 V HN 0.525 nan 8.190 nan 0.000 0.452 488 D N 0.309 120.729 120.400 0.034 0.000 2.123 488 D HA -0.191 4.450 4.640 0.000 0.000 0.196 488 D C 1.945 178.274 176.300 0.049 0.000 0.992 488 D CA 1.649 55.668 54.000 0.032 0.000 0.833 488 D CB -0.170 40.641 40.800 0.018 0.000 0.954 488 D HN 0.439 nan 8.370 nan 0.000 0.455 489 I N 0.330 120.930 120.570 0.051 0.000 2.252 489 I HA -0.210 3.960 4.170 0.000 0.000 0.245 489 I C 2.496 178.707 176.117 0.155 0.000 1.102 489 I CA 0.967 62.318 61.300 0.085 0.000 1.385 489 I CB -0.329 37.682 38.000 0.018 0.000 1.064 489 I HN 0.083 nan 8.210 nan 0.000 0.414 490 A N -0.107 122.847 122.820 0.223 0.000 1.908 490 A HA -0.243 4.077 4.320 0.000 0.000 0.218 490 A C 2.291 179.911 177.584 0.059 0.000 1.181 490 A CA 1.487 53.609 52.037 0.141 0.000 0.627 490 A CB -0.472 18.604 19.000 0.125 0.000 0.818 490 A HN 0.365 nan 8.150 nan 0.000 0.445 491 Q N -0.926 118.910 119.800 0.061 0.000 2.311 491 Q HA 0.047 4.387 4.340 0.000 0.000 0.203 491 Q C 2.269 178.295 176.000 0.044 0.000 0.954 491 Q CA 1.174 57.002 55.803 0.042 0.000 0.885 491 Q CB -0.351 28.408 28.738 0.034 0.000 0.963 491 Q HN 0.654 nan 8.270 nan 0.000 0.471 492 A N 0.222 123.073 122.820 0.052 0.000 1.968 492 A HA -0.065 4.256 4.320 0.000 0.000 0.217 492 A C 2.136 179.757 177.584 0.061 0.000 1.169 492 A CA 0.588 52.653 52.037 0.047 0.000 0.638 492 A CB -0.456 18.572 19.000 0.046 0.000 0.812 492 A HN 0.318 nan 8.150 nan 0.000 0.446 493 L N -0.468 120.803 121.223 0.081 0.000 2.083 493 L HA -0.151 4.189 4.340 0.000 0.000 0.209 493 L C 2.472 179.454 176.870 0.186 0.000 1.083 493 L CA 0.895 55.816 54.840 0.134 0.000 0.752 493 L CB -0.438 41.626 42.059 0.008 0.000 0.899 493 L HN 0.248 nan 8.230 nan 0.000 0.433 494 V N -0.301 119.674 119.914 0.101 0.000 2.343 494 V HA -0.270 3.850 4.120 0.000 0.000 0.247 494 V C 2.491 178.618 176.094 0.055 0.000 1.051 494 V CA 1.652 64.001 62.300 0.081 0.000 1.036 494 V CB -0.628 31.223 31.823 0.046 0.000 0.654 494 V HN 0.411 nan 8.190 nan 0.000 0.451 495 R N -0.225 120.300 120.500 0.041 0.000 2.193 495 R HA -0.056 4.284 4.340 0.000 0.000 0.229 495 R C 2.036 178.338 176.300 0.004 0.000 1.110 495 R CA 0.907 57.018 56.100 0.018 0.000 0.988 495 R CB -0.178 30.129 30.300 0.011 0.000 0.871 495 R HN 0.481 nan 8.270 nan 0.000 0.458 496 R N -0.860 119.651 120.500 0.019 0.000 2.388 496 R HA 0.117 4.458 4.340 0.000 0.000 0.247 496 R C 0.811 177.071 176.300 -0.065 0.000 0.931 496 R CA 0.483 56.567 56.100 -0.028 0.000 1.082 496 R CB 0.982 31.246 30.300 -0.060 0.000 1.135 496 R HN 0.358 nan 8.270 nan 0.000 0.525 497 G N 0.128 108.903 108.800 -0.042 0.000 2.238 497 G HA2 -0.220 3.741 3.960 0.000 0.000 0.217 497 G HA3 -0.220 3.741 3.960 0.000 0.000 0.217 497 G C -0.080 174.760 174.900 -0.099 0.000 0.996 497 G CA -0.549 44.497 45.100 -0.089 0.000 0.632 497 G HN 0.381 nan 8.290 nan 0.000 0.503 498 H N 1.651 120.745 119.070 0.041 0.000 2.848 498 H HA 0.212 4.769 4.556 0.000 0.000 0.317 498 H C 0.303 175.644 175.328 0.021 0.000 1.046 498 H CA 0.281 56.354 56.048 0.041 0.000 1.470 498 H CB 0.812 30.595 29.762 0.034 0.000 1.483 498 H HN 0.049 nan 8.280 nan 0.000 0.548 499 K N 4.655 125.134 120.400 0.132 0.000 2.155 499 K HA 0.146 4.466 4.320 0.000 0.000 0.240 499 K C 0.321 176.958 176.600 0.062 0.000 1.193 499 K CA -0.230 56.100 56.287 0.073 0.000 1.104 499 K CB -0.090 32.438 32.500 0.046 0.000 1.558 499 K HN 0.392 nan 8.250 nan 0.000 0.313 500 I N 1.840 122.437 120.570 0.045 0.000 2.496 500 I HA 0.062 4.233 4.170 0.000 0.000 0.285 500 I C 0.589 176.698 176.117 -0.014 0.000 1.080 500 I CA 0.212 61.505 61.300 -0.012 0.000 1.404 500 I CB 0.616 38.578 38.000 -0.063 0.000 1.403 500 I HN 0.388 nan 8.210 nan 0.000 0.539 501 Q N 5.726 125.517 119.800 -0.016 0.000 2.309 501 Q HA 0.368 4.709 4.340 0.000 0.000 0.270 501 Q C -1.509 174.501 176.000 0.016 0.000 1.023 501 Q CA -0.595 55.209 55.803 0.000 0.000 0.758 501 Q CB 2.335 31.076 28.738 0.005 0.000 1.247 501 Q HN 0.468 nan 8.270 nan 0.000 0.455 502 V N 4.215 124.137 119.914 0.013 0.000 2.479 502 V HA 0.135 4.255 4.120 0.000 0.000 0.281 502 V C -0.015 176.125 176.094 0.077 0.000 1.031 502 V CA -0.098 62.221 62.300 0.033 0.000 1.038 502 V CB 1.070 32.904 31.823 0.020 0.000 0.981 502 V HN 0.532 nan 8.190 nan 0.000 0.478 503 V N 6.746 126.756 119.914 0.160 0.000 2.370 503 V HA 0.251 4.372 4.120 0.000 0.000 0.283 503 V C 0.600 176.812 176.094 0.197 0.000 1.023 503 V CA -0.298 62.118 62.300 0.194 0.000 0.857 503 V CB 1.592 33.578 31.823 0.271 0.000 0.985 503 V HN 0.722 nan 8.190 nan 0.000 0.443 504 L N 2.547 123.841 121.223 0.118 0.000 2.375 504 L HA 0.242 4.582 4.340 0.000 0.000 0.215 504 L C 1.118 178.050 176.870 0.103 0.000 1.108 504 L CA 0.960 55.854 54.840 0.091 0.000 0.830 504 L CB -0.301 41.790 42.059 0.052 0.000 0.959 504 L HN 0.633 nan 8.230 nan 0.000 0.457 505 D N 1.882 122.349 120.400 0.112 0.000 2.531 505 D HA -0.069 4.571 4.640 0.000 0.000 0.239 505 D C 0.105 176.493 176.300 0.147 0.000 1.144 505 D CA 0.523 54.582 54.000 0.098 0.000 0.869 505 D CB 0.483 41.323 40.800 0.067 0.000 1.160 505 D HN 0.352 nan 8.370 nan 0.000 0.484 506 E N 0.133 120.401 120.200 0.114 0.000 2.338 506 E HA 0.330 4.680 4.350 0.000 0.000 0.272 506 E C 1.221 177.929 176.600 0.180 0.000 1.029 506 E CA -0.108 56.373 56.400 0.134 0.000 0.872 506 E CB 0.900 30.656 29.700 0.094 0.000 1.015 506 E HN 0.659 nan 8.360 nan 0.000 0.417 507 G N 2.361 111.275 108.800 0.190 0.000 2.179 507 G HA2 -0.381 3.579 3.960 0.000 0.000 0.260 507 G HA3 -0.381 3.579 3.960 0.000 0.000 0.260 507 G C 0.916 175.882 174.900 0.111 0.000 0.977 507 G CA 0.305 45.508 45.100 0.172 0.000 0.641 507 G HN 0.647 nan 8.290 nan 0.000 0.533 508 A N -0.790 122.089 122.820 0.097 0.000 2.235 508 A HA 0.619 4.939 4.320 0.000 0.000 0.208 508 A C 1.319 178.691 177.584 -0.354 0.000 1.172 508 A CA 1.265 53.227 52.037 -0.126 0.000 0.786 508 A CB -0.260 18.617 19.000 -0.205 0.000 0.804 508 A HN 0.657 nan 8.150 nan 0.000 0.479 509 F N -0.313 119.645 119.950 0.014 0.000 2.668 509 F HA 0.446 4.973 4.527 0.000 0.000 0.301 509 F C 1.315 177.108 175.800 -0.013 0.000 1.106 509 F CA 0.444 58.443 58.000 -0.001 0.000 1.289 509 F CB 0.311 39.311 39.000 -0.000 0.000 1.006 509 F HN 0.354 nan 8.300 nan 0.000 0.535 510 G N 1.361 110.214 108.800 0.089 0.000 2.781 510 G HA2 -0.184 3.776 3.960 0.000 0.000 0.683 510 G HA3 -0.184 3.776 3.960 0.000 0.000 0.683 510 G C -0.752 174.175 174.900 0.046 0.000 1.390 510 G CA -1.140 43.986 45.100 0.043 0.000 0.850 510 G HN 0.277 nan 8.290 nan 0.000 0.557 511 R N -0.148 120.366 120.500 0.024 0.000 2.480 511 R HA 0.644 4.985 4.340 0.000 0.000 0.306 511 R C 0.467 176.785 176.300 0.030 0.000 0.958 511 R CA -0.080 56.036 56.100 0.027 0.000 0.861 511 R CB 2.021 32.334 30.300 0.022 0.000 1.171 511 R HN 1.039 nan 8.270 nan 0.000 0.445 512 G N 1.516 110.328 108.800 0.019 0.000 2.453 512 G HA2 0.488 4.448 3.960 0.000 0.000 0.323 512 G HA3 0.488 4.448 3.960 0.000 0.000 0.323 512 G C -1.067 173.859 174.900 0.044 0.000 1.198 512 G CA -0.399 44.700 45.100 -0.001 0.000 0.959 512 G HN 0.275 nan 8.290 nan 0.000 0.482 513 Q N 0.176 120.038 119.800 0.104 0.000 2.397 513 Q HA 0.581 4.921 4.340 0.000 0.000 0.275 513 Q C -1.144 174.858 176.000 0.003 0.000 1.090 513 Q CA -0.570 55.295 55.803 0.104 0.000 0.809 513 Q CB 3.087 31.956 28.738 0.219 0.000 1.362 513 Q HN 0.520 nan 8.270 nan 0.000 0.431 514 I N 2.177 122.635 120.570 -0.187 0.000 2.607 514 I HA 0.466 4.637 4.170 0.000 0.000 0.290 514 I C -0.874 174.938 176.117 -0.508 0.000 1.129 514 I CA -0.613 60.391 61.300 -0.494 0.000 1.042 514 I CB 2.110 39.643 38.000 -0.778 0.000 1.242 514 I HN 0.447 nan 8.210 nan 0.000 0.421 515 I N 4.927 125.184 120.570 -0.521 0.000 2.439 515 I HA 0.322 4.492 4.170 0.000 0.000 0.285 515 I C -1.130 174.832 176.117 -0.258 0.000 1.021 515 I CA -0.346 60.741 61.300 -0.354 0.000 1.091 515 I CB 1.272 39.189 38.000 -0.139 0.000 1.242 515 I HN 0.453 nan 8.210 nan 0.000 0.439 516 W N 5.652 126.890 121.300 -0.104 0.000 2.496 516 W HA 0.589 5.249 4.660 0.001 0.000 0.327 516 W C 0.255 176.726 176.519 -0.079 0.000 1.086 516 W CA -0.927 56.356 57.345 -0.103 0.000 1.222 516 W CB 1.573 30.975 29.460 -0.096 0.000 1.304 516 W HN 0.295 nan 8.180 nan 0.000 0.547 517 R N 2.859 123.489 120.500 0.215 0.000 2.387 517 R HA 0.106 4.446 4.340 0.000 0.000 0.314 517 R C -0.553 175.799 176.300 0.087 0.000 0.958 517 R CA -0.647 55.522 56.100 0.115 0.000 0.846 517 R CB 1.132 31.478 30.300 0.077 0.000 1.147 517 R HN 0.463 nan 8.270 nan 0.000 0.447 518 D N 6.072 126.524 120.400 0.088 0.000 2.417 518 D HA 0.042 4.682 4.640 0.000 0.000 0.250 518 D C -1.474 174.854 176.300 0.046 0.000 1.166 518 D CA -1.583 52.458 54.000 0.068 0.000 0.881 518 D CB 1.741 42.593 40.800 0.087 0.000 1.164 518 D HN 0.400 nan 8.370 nan 0.000 0.467 519 P HA -0.095 nan 4.420 nan 0.000 0.222 519 P C 1.103 178.419 177.300 0.026 0.000 1.153 519 P CA 0.931 64.040 63.100 0.015 0.000 0.798 519 P CB 0.238 31.934 31.700 -0.007 0.000 0.796 520 T N -1.549 113.022 114.554 0.028 0.000 2.684 520 T HA -0.100 4.250 4.350 0.000 0.000 0.253 520 T C 2.074 176.797 174.700 0.037 0.000 1.057 520 T CA 2.024 64.142 62.100 0.029 0.000 1.162 520 T CB -1.587 67.296 68.868 0.025 0.000 0.868 520 T HN 0.128 nan 8.240 nan 0.000 0.409 521 T N -0.066 114.515 114.554 0.045 0.000 2.978 521 T HA 0.292 4.643 4.350 0.000 0.000 0.262 521 T C 1.723 176.458 174.700 0.058 0.000 1.063 521 T CA 1.568 63.698 62.100 0.049 0.000 1.140 521 T CB -0.930 67.970 68.868 0.053 0.000 0.886 521 T HN 0.856 nan 8.240 nan 0.000 0.470 522 G N 0.420 109.259 108.800 0.065 0.000 2.157 522 G HA2 -0.201 3.759 3.960 0.000 0.000 0.239 522 G HA3 -0.201 3.759 3.960 0.000 0.000 0.239 522 G C 0.278 175.229 174.900 0.084 0.000 0.982 522 G CA 0.250 45.393 45.100 0.071 0.000 0.650 522 G HN 0.858 nan 8.290 nan 0.000 0.527 523 V N 1.451 121.426 119.914 0.100 0.000 2.637 523 V HA 0.587 4.707 4.120 0.000 0.000 0.296 523 V C 0.782 176.949 176.094 0.123 0.000 1.046 523 V CA -0.350 62.030 62.300 0.134 0.000 1.066 523 V CB 0.965 32.900 31.823 0.187 0.000 0.968 523 V HN 0.325 nan 8.190 nan 0.000 0.483 524 L N 7.022 128.304 121.223 0.099 0.000 2.275 524 L HA 0.732 5.072 4.340 0.000 0.000 0.288 524 L C 0.177 176.972 176.870 -0.125 0.000 1.046 524 L CA -0.260 54.596 54.840 0.026 0.000 0.805 524 L CB 1.413 43.493 42.059 0.035 0.000 1.193 524 L HN 0.741 nan 8.230 nan 0.000 0.426 525 A N 2.505 125.194 122.820 -0.218 0.000 2.319 525 A HA 0.809 5.129 4.320 0.000 0.000 0.310 525 A C -0.066 177.312 177.584 -0.344 0.000 1.152 525 A CA -0.361 51.360 52.037 -0.528 0.000 0.783 525 A CB 1.331 19.985 19.000 -0.576 0.000 1.184 525 A HN 0.746 nan 8.150 nan 0.000 0.474 526 G N 0.544 109.144 108.800 -0.333 0.000 2.448 526 G HA2 0.661 4.622 3.960 0.000 0.000 0.324 526 G HA3 0.661 4.622 3.960 0.000 0.000 0.324 526 G C -0.189 174.579 174.900 -0.220 0.000 1.203 526 G CA -0.234 44.713 45.100 -0.254 0.000 0.954 526 G HN 1.198 nan 8.290 nan 0.000 0.480 527 G N -0.819 107.844 108.800 -0.227 0.000 2.542 527 G HA2 0.580 4.540 3.960 0.000 0.000 0.311 527 G HA3 0.580 4.540 3.960 0.000 0.000 0.311 527 G C -0.912 173.915 174.900 -0.122 0.000 1.298 527 G CA -0.347 44.655 45.100 -0.163 0.000 0.973 527 G HN 0.685 nan 8.290 nan 0.000 0.487 528 T N -0.211 114.297 114.554 -0.077 0.000 2.924 528 T HA 0.462 4.812 4.350 0.000 0.000 0.291 528 T C -0.444 174.233 174.700 -0.037 0.000 1.045 528 T CA -0.477 61.593 62.100 -0.049 0.000 1.015 528 T CB 1.716 70.561 68.868 -0.037 0.000 1.103 528 T HN 0.517 nan 8.240 nan 0.000 0.496 529 E N 4.061 124.249 120.200 -0.020 0.000 2.383 529 E HA 0.153 4.503 4.350 0.000 0.000 0.257 529 E C -1.571 175.017 176.600 -0.021 0.000 1.079 529 E CA -1.667 54.725 56.400 -0.014 0.000 0.934 529 E CB 1.026 30.728 29.700 0.004 0.000 0.978 529 E HN 0.294 nan 8.360 nan 0.000 0.462 530 P HA -0.065 nan 4.420 nan 0.000 0.225 530 P C 0.309 177.579 177.300 -0.050 0.000 1.156 530 P CA 0.711 63.785 63.100 -0.042 0.000 0.787 530 P CB 0.307 31.981 31.700 -0.043 0.000 0.802 531 R N -0.787 119.699 120.500 -0.024 0.000 2.339 531 R HA 0.137 4.478 4.340 0.000 0.000 0.199 531 R C 1.023 177.325 176.300 0.003 0.000 1.018 531 R CA 0.547 56.640 56.100 -0.010 0.000 1.036 531 R CB -0.256 30.061 30.300 0.029 0.000 0.899 531 R HN 0.186 nan 8.270 nan 0.000 0.473 532 T N -0.885 113.665 114.554 -0.006 0.000 2.787 532 T HA 0.128 4.479 4.350 0.000 0.000 0.297 532 T C -1.557 173.140 174.700 -0.004 0.000 1.221 532 T CA -0.997 61.110 62.100 0.012 0.000 1.006 532 T CB 1.331 70.213 68.868 0.023 0.000 1.328 532 T HN -0.090 nan 8.240 nan 0.000 0.509 533 D N 0.693 121.100 120.400 0.012 0.000 2.399 533 D HA 0.521 5.161 4.640 0.000 0.000 0.241 533 D C 0.486 176.781 176.300 -0.008 0.000 1.133 533 D CA 0.602 54.605 54.000 0.005 0.000 0.890 533 D CB 1.149 41.961 40.800 0.018 0.000 1.201 533 D HN 0.940 nan 8.370 nan 0.000 0.432 534 G N 0.255 109.047 108.800 -0.014 0.000 2.320 534 G HA2 0.350 4.311 3.960 0.000 0.000 0.297 534 G HA3 0.350 4.311 3.960 0.000 0.000 0.297 534 G C -1.876 173.012 174.900 -0.020 0.000 1.344 534 G CA -0.782 44.306 45.100 -0.021 0.000 0.851 534 G HN 0.459 nan 8.290 nan 0.000 0.567 535 Q N -0.849 118.936 119.800 -0.024 0.000 2.403 535 Q HA 0.509 4.849 4.340 0.000 0.000 0.267 535 Q C -1.274 174.711 176.000 -0.025 0.000 0.991 535 Q CA -0.751 55.041 55.803 -0.020 0.000 0.906 535 Q CB 2.655 31.384 28.738 -0.015 0.000 1.422 535 Q HN 0.779 nan 8.270 nan 0.000 0.400 536 V N 1.328 121.228 119.914 -0.024 0.000 2.439 536 V HA 0.909 5.029 4.120 0.000 0.000 0.282 536 V C -0.219 175.871 176.094 -0.005 0.000 1.039 536 V CA -0.480 61.804 62.300 -0.028 0.000 0.913 536 V CB 0.955 32.750 31.823 -0.046 0.000 0.983 536 V HN 0.762 nan 8.190 nan 0.000 0.460 537 A N 3.580 126.405 122.820 0.007 0.000 2.414 537 A HA 0.949 5.269 4.320 0.000 0.000 0.306 537 A C -0.090 177.532 177.584 0.062 0.000 1.054 537 A CA -0.294 51.764 52.037 0.034 0.000 0.724 537 A CB 1.645 20.666 19.000 0.035 0.000 1.267 537 A HN 1.378 nan 8.150 nan 0.000 0.418 538 A N 0.606 123.476 122.820 0.084 0.000 2.264 538 A HA 0.745 5.065 4.320 0.000 0.000 0.304 538 A C -0.889 176.821 177.584 0.211 0.000 1.100 538 A CA -0.291 51.817 52.037 0.117 0.000 0.839 538 A CB 0.508 19.558 19.000 0.083 0.000 1.121 538 A HN 1.654 nan 8.150 nan 0.000 0.496 539 W N 0.049 121.356 121.300 0.011 0.000 3.129 539 W HA 0.627 5.288 4.660 0.001 0.000 0.333 539 W C -0.871 175.653 176.519 0.008 0.000 1.141 539 W CA -0.395 56.954 57.345 0.007 0.000 1.224 539 W CB 1.856 31.320 29.460 0.006 0.000 1.393 539 W HN 0.565 nan 8.180 nan 0.000 0.499 540 E N 3.527 123.195 120.200 -0.887 0.000 2.968 540 E HA 0.231 4.581 4.350 0.000 0.000 0.202 540 E C 0.580 176.558 176.600 -1.036 0.000 0.979 540 E CA -0.160 55.744 56.400 -0.827 0.000 1.192 540 E CB 0.766 30.241 29.700 -0.374 0.000 1.059 540 E HN 0.574 nan 8.360 nan 0.000 0.470 541 G N -0.094 107.667 108.800 -1.732 0.000 2.574 541 G HA2 0.262 4.222 3.960 0.000 0.000 0.248 541 G HA3 0.262 4.222 3.960 0.000 0.000 0.248 541 G C -0.041 174.427 174.900 -0.720 0.000 1.422 541 G CA -0.217 44.358 45.100 -0.874 0.000 1.051 541 G HN 0.053 nan 8.290 nan 0.000 0.560 542 H N 0.000 119.066 119.070 -0.006 0.000 2.539 542 H HA 0.000 4.556 4.556 0.000 0.000 0.296 542 H CA 0.000 56.105 56.048 0.096 0.000 1.023 542 H CB 0.000 29.789 29.762 0.045 0.000 1.292 542 H HN 0.000 nan 8.280 nan 0.000 0.496