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 3lsq_1_B DATA FIRST_RESID 1 DATA SEQUENCE MVLDIQLFRD ETGANIIRES QRRRFADPDI VDAIIEADKK WRRTQFLTEA DATA SEQUENCE SKKLINICSK AVGAKKKAKE ADGDTSEIPP QVKEAYENGT LKGEQVEQLC DATA SEQUENCE VLQLKQLSKD LSDQVAGLAK EAQQLEEERD KLMLNVGNIL HESVPIAQDE DATA SEQUENCE ETGNTVVRTF GNTTKRAKLN HVSIMERLGM MDTSKAVTSM AGGRSYVLKG DATA SEQUENCE GLVQLQVALV SYSLDFLVKR GYTPFYPPFF LNRDVMGEVA QLSQFDEELY DATA SEQUENCE QVSGDGDKKY LIATSEMPIA AYHRGRWFTE LKEPLKYAGM STCFRKEAXX DATA SEQUENCE XXXXXLGIFR VHQFDKIEQF VVCSPRQEES WRHLEDMITT SEEFNKSLGL DATA SEQUENCE PYRVVNICSG ALNNAAAKKY DLEAWFPASG AFRELVSCSN CTDYQSQSVN DATA SEQUENCE CRYGPNLRGT AAQNVKEYCH MLNGTLCAIT RTMCCICENY QTEEGVVIPD DATA SEQUENCE VLRPYMMGIE MIRFE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.366 176.300 0.110 0.000 1.140 1 M CA 0.000 55.344 55.300 0.074 0.000 0.988 1 M CB 0.000 32.632 32.600 0.053 0.000 1.302 2 V N 4.022 123.999 119.914 0.105 0.000 2.293 2 V HA 0.567 4.687 4.120 -0.000 0.000 0.275 2 V C -0.061 176.100 176.094 0.112 0.000 1.021 2 V CA -0.808 61.578 62.300 0.142 0.000 0.815 2 V CB 1.046 32.968 31.823 0.165 0.000 1.025 2 V HN 1.094 nan 8.190 nan 0.000 0.448 3 L N 7.423 128.699 121.223 0.087 0.000 2.485 3 L HA 0.380 4.719 4.340 -0.000 0.000 0.279 3 L C 0.174 177.066 176.870 0.037 0.000 1.124 3 L CA 0.895 55.765 54.840 0.051 0.000 0.888 3 L CB -0.269 41.817 42.059 0.045 0.000 1.217 3 L HN 0.845 nan 8.230 nan 0.000 0.464 4 D N 2.847 123.297 120.400 0.083 0.000 2.867 4 D HA 0.052 4.692 4.640 -0.000 0.000 0.308 4 D C 0.790 177.204 176.300 0.190 0.000 1.202 4 D CA -0.592 53.441 54.000 0.055 0.000 1.035 4 D CB 0.385 41.216 40.800 0.051 0.000 1.427 4 D HN 0.270 nan 8.370 nan 0.000 0.570 5 I N 0.223 120.858 120.570 0.109 0.000 2.454 5 I HA -0.213 3.957 4.170 -0.000 0.000 0.254 5 I C 2.224 178.477 176.117 0.225 0.000 1.156 5 I CA 1.667 63.043 61.300 0.127 0.000 1.433 5 I CB -0.562 37.381 38.000 -0.096 0.000 1.082 5 I HN 0.404 nan 8.210 nan 0.000 0.432 6 Q N -0.064 119.835 119.800 0.165 0.000 2.181 6 Q HA -0.223 4.117 4.340 -0.000 0.000 0.205 6 Q C 2.048 178.132 176.000 0.140 0.000 0.980 6 Q CA 1.797 57.687 55.803 0.145 0.000 0.862 6 Q CB -0.478 28.335 28.738 0.125 0.000 0.905 6 Q HN 0.568 nan 8.270 nan 0.000 0.429 7 L N -0.990 120.317 121.223 0.139 0.000 2.093 7 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 7 L C 1.530 178.390 176.870 -0.018 0.000 1.085 7 L CA 1.452 56.309 54.840 0.028 0.000 0.755 7 L CB -0.387 41.638 42.059 -0.057 0.000 0.904 7 L HN 0.236 nan 8.230 nan 0.000 0.435 8 F N -0.268 119.687 119.950 0.009 0.000 2.269 8 F HA -0.145 4.381 4.527 -0.000 0.000 0.301 8 F C 2.402 178.210 175.800 0.014 0.000 1.082 8 F CA 1.165 59.169 58.000 0.007 0.000 1.360 8 F CB -0.444 38.554 39.000 -0.003 0.000 1.041 8 F HN 0.012 nan 8.300 nan 0.000 0.512 9 R N -0.519 120.102 120.500 0.202 0.000 2.275 9 R HA 0.001 4.341 4.340 -0.000 0.000 0.199 9 R C 0.004 176.353 176.300 0.082 0.000 0.989 9 R CA 0.367 56.545 56.100 0.130 0.000 1.016 9 R CB -0.262 30.110 30.300 0.119 0.000 0.918 9 R HN 0.147 nan 8.270 nan 0.000 0.473 10 D N 0.426 120.865 120.400 0.064 0.000 2.198 10 D HA -0.002 4.638 4.640 -0.000 0.000 0.245 10 D C 0.689 177.000 176.300 0.018 0.000 1.079 10 D CA -0.232 53.790 54.000 0.036 0.000 0.854 10 D CB 1.542 42.359 40.800 0.029 0.000 1.148 10 D HN -0.064 nan 8.370 nan 0.000 0.456 11 E N 1.468 121.677 120.200 0.015 0.000 2.077 11 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 11 E C 1.182 177.775 176.600 -0.011 0.000 0.989 11 E CA 1.659 58.062 56.400 0.005 0.000 0.800 11 E CB 0.221 29.925 29.700 0.007 0.000 0.746 11 E HN 0.652 nan 8.360 nan 0.000 0.452 12 T N -0.591 113.956 114.554 -0.012 0.000 2.821 12 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 12 T C 1.802 176.478 174.700 -0.041 0.000 1.046 12 T CA 0.925 63.011 62.100 -0.023 0.000 1.139 12 T CB -0.568 68.291 68.868 -0.015 0.000 0.871 12 T HN 0.358 nan 8.240 nan 0.000 0.454 13 G N 1.436 110.210 108.800 -0.044 0.000 2.421 13 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.216 13 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.216 13 G C 1.875 176.689 174.900 -0.143 0.000 1.171 13 G CA 0.794 45.844 45.100 -0.082 0.000 0.775 13 G HN 0.594 nan 8.290 nan 0.000 0.543 14 A N 1.112 123.866 122.820 -0.110 0.000 1.978 14 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 14 A C 2.264 179.784 177.584 -0.107 0.000 1.170 14 A CA 1.920 53.882 52.037 -0.125 0.000 0.636 14 A CB -0.385 18.598 19.000 -0.027 0.000 0.810 14 A HN 0.360 nan 8.150 nan 0.000 0.448 15 N N -0.062 118.592 118.700 -0.075 0.000 2.216 15 N HA -0.020 4.720 4.740 -0.000 0.000 0.183 15 N C 1.600 177.062 175.510 -0.080 0.000 1.017 15 N CA 1.190 54.202 53.050 -0.064 0.000 0.861 15 N CB -0.371 38.088 38.487 -0.045 0.000 0.986 15 N HN 0.568 nan 8.380 nan 0.000 0.428 16 I N 0.895 121.409 120.570 -0.093 0.000 2.286 16 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 16 I C 1.888 177.937 176.117 -0.115 0.000 1.115 16 I CA 0.873 62.116 61.300 -0.094 0.000 1.392 16 I CB -0.126 37.822 38.000 -0.086 0.000 1.065 16 I HN 0.036 nan 8.210 nan 0.000 0.418 17 I N 0.205 120.675 120.570 -0.166 0.000 2.202 17 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 17 I C 2.711 178.761 176.117 -0.112 0.000 1.091 17 I CA 1.238 62.425 61.300 -0.188 0.000 1.368 17 I CB -0.445 37.324 38.000 -0.385 0.000 1.058 17 I HN 0.106 nan 8.210 nan 0.000 0.410 18 R N 0.601 121.045 120.500 -0.093 0.000 2.083 18 R HA -0.244 4.096 4.340 -0.000 0.000 0.237 18 R C 2.285 178.547 176.300 -0.065 0.000 1.137 18 R CA 1.926 57.993 56.100 -0.056 0.000 0.951 18 R CB -0.442 29.833 30.300 -0.041 0.000 0.851 18 R HN 0.439 nan 8.270 nan 0.000 0.434 19 E N 0.274 120.429 120.200 -0.075 0.000 2.058 19 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 19 E C 1.978 178.520 176.600 -0.098 0.000 0.997 19 E CA 1.598 57.947 56.400 -0.086 0.000 0.801 19 E CB -0.058 29.593 29.700 -0.083 0.000 0.746 19 E HN 0.168 nan 8.360 nan 0.000 0.450 20 S N -0.395 115.252 115.700 -0.088 0.000 2.382 20 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 20 S C 2.004 176.557 174.600 -0.079 0.000 1.027 20 S CA 1.135 59.285 58.200 -0.082 0.000 0.991 20 S CB -0.155 63.008 63.200 -0.062 0.000 0.823 20 S HN 0.277 nan 8.310 nan 0.000 0.469 21 Q N 0.983 120.746 119.800 -0.061 0.000 2.061 21 Q HA -0.059 4.281 4.340 -0.000 0.000 0.204 21 Q C 2.415 178.364 176.000 -0.085 0.000 0.984 21 Q CA 1.427 57.204 55.803 -0.043 0.000 0.846 21 Q CB -0.461 28.268 28.738 -0.013 0.000 0.902 21 Q HN 0.611 nan 8.270 nan 0.000 0.421 22 R N 0.162 120.592 120.500 -0.116 0.000 2.092 22 R HA -0.037 4.303 4.340 -0.000 0.000 0.231 22 R C 2.314 178.399 176.300 -0.358 0.000 1.119 22 R CA 0.892 56.883 56.100 -0.182 0.000 0.970 22 R CB -0.171 30.043 30.300 -0.143 0.000 0.864 22 R HN 0.194 nan 8.270 nan 0.000 0.440 23 R N 0.288 120.610 120.500 -0.297 0.000 2.189 23 R HA -0.019 4.321 4.340 -0.000 0.000 0.223 23 R C 1.857 177.927 176.300 -0.384 0.000 1.092 23 R CA 0.843 56.723 56.100 -0.367 0.000 0.989 23 R CB -0.027 30.149 30.300 -0.207 0.000 0.876 23 R HN 0.153 nan 8.270 nan 0.000 0.457 24 R N -0.107 120.261 120.500 -0.219 0.000 2.310 24 R HA 0.052 4.392 4.340 -0.000 0.000 0.202 24 R C -0.311 176.058 176.300 0.114 0.000 0.933 24 R CA 0.016 56.095 56.100 -0.036 0.000 1.054 24 R CB 0.095 30.396 30.300 0.001 0.000 0.985 24 R HN 0.090 nan 8.270 nan 0.000 0.489 25 F N -0.717 119.228 119.950 -0.008 0.000 3.091 25 F HA -0.319 4.208 4.527 -0.000 0.000 0.288 25 F C 0.406 176.207 175.800 0.000 0.000 0.907 25 F CA 0.501 58.498 58.000 -0.004 0.000 1.028 25 F CB -1.977 37.020 39.000 -0.005 0.000 1.022 25 F HN 0.114 nan 8.300 nan 0.000 0.665 26 A N -0.853 122.021 122.820 0.090 0.000 2.347 26 A HA 0.676 4.996 4.320 -0.000 0.000 0.301 26 A C -0.482 177.127 177.584 0.042 0.000 1.163 26 A CA -0.510 51.568 52.037 0.069 0.000 0.860 26 A CB 0.859 19.891 19.000 0.053 0.000 1.367 26 A HN 0.076 nan 8.150 nan 0.000 0.461 27 D N 0.232 120.658 120.400 0.043 0.000 2.325 27 D HA 0.359 4.999 4.640 -0.000 0.000 0.251 27 D C -1.511 174.809 176.300 0.032 0.000 1.196 27 D CA -1.715 52.308 54.000 0.037 0.000 0.866 27 D CB 1.166 41.990 40.800 0.040 0.000 1.101 27 D HN 0.113 nan 8.370 nan 0.000 0.476 28 P HA -0.026 nan 4.420 nan 0.000 0.224 28 P C 0.506 177.825 177.300 0.033 0.000 1.157 28 P CA 0.401 63.512 63.100 0.017 0.000 0.799 28 P CB 0.528 32.225 31.700 -0.004 0.000 0.809 29 D N 0.220 120.639 120.400 0.032 0.000 2.265 29 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 29 D C 2.021 178.349 176.300 0.048 0.000 0.977 29 D CA 0.639 54.660 54.000 0.035 0.000 0.871 29 D CB -0.732 40.085 40.800 0.028 0.000 0.925 29 D HN 0.227 nan 8.370 nan 0.000 0.485 30 I N 0.346 120.949 120.570 0.055 0.000 2.185 30 I HA -0.306 3.864 4.170 -0.000 0.000 0.246 30 I C 2.295 178.471 176.117 0.099 0.000 1.088 30 I CA 0.759 62.099 61.300 0.067 0.000 1.347 30 I CB -0.249 37.796 38.000 0.075 0.000 1.041 30 I HN -0.055 nan 8.210 nan 0.000 0.415 31 V N 0.668 120.661 119.914 0.131 0.000 2.287 31 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 31 V C 2.096 178.286 176.094 0.160 0.000 1.053 31 V CA 2.163 64.589 62.300 0.210 0.000 1.027 31 V CB -0.698 31.211 31.823 0.143 0.000 0.646 31 V HN 0.419 nan 8.190 nan 0.000 0.447 32 D N 0.129 120.585 120.400 0.094 0.000 2.182 32 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 32 D C 2.140 178.472 176.300 0.054 0.000 0.986 32 D CA 1.646 55.687 54.000 0.068 0.000 0.847 32 D CB -0.180 40.647 40.800 0.046 0.000 0.942 32 D HN 0.490 nan 8.370 nan 0.000 0.467 33 A N 0.315 123.162 122.820 0.046 0.000 1.874 33 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 33 A C 2.274 179.857 177.584 -0.002 0.000 1.189 33 A CA 0.627 52.677 52.037 0.022 0.000 0.615 33 A CB -0.552 18.458 19.000 0.017 0.000 0.830 33 A HN 0.119 nan 8.150 nan 0.000 0.443 34 I N 0.226 120.785 120.570 -0.019 0.000 2.208 34 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 34 I C 2.274 178.340 176.117 -0.085 0.000 1.097 34 I CA 1.343 62.567 61.300 -0.127 0.000 1.363 34 I CB -0.351 37.463 38.000 -0.309 0.000 1.051 34 I HN 0.307 nan 8.210 nan 0.000 0.413 35 I N 0.047 120.631 120.570 0.023 0.000 2.163 35 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 35 I C 2.584 178.724 176.117 0.040 0.000 1.085 35 I CA 1.492 62.827 61.300 0.059 0.000 1.347 35 I CB -0.303 37.758 38.000 0.101 0.000 1.044 35 I HN 0.231 nan 8.210 nan 0.000 0.408 36 E N 1.055 121.275 120.200 0.033 0.000 2.072 36 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 36 E C 2.111 178.733 176.600 0.037 0.000 0.982 36 E CA 1.472 57.893 56.400 0.034 0.000 0.803 36 E CB -0.163 29.555 29.700 0.029 0.000 0.755 36 E HN 0.408 nan 8.360 nan 0.000 0.453 37 A N 0.587 123.419 122.820 0.020 0.000 1.877 37 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 37 A C 2.108 179.734 177.584 0.071 0.000 1.186 37 A CA 1.999 54.054 52.037 0.030 0.000 0.620 37 A CB -0.974 18.020 19.000 -0.010 0.000 0.822 37 A HN 0.404 nan 8.150 nan 0.000 0.443 38 D N -0.605 119.815 120.400 0.033 0.000 2.123 38 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 38 D C 1.950 178.365 176.300 0.192 0.000 0.992 38 D CA 1.775 55.830 54.000 0.091 0.000 0.833 38 D CB -0.112 40.685 40.800 -0.004 0.000 0.954 38 D HN 0.496 nan 8.370 nan 0.000 0.455 39 K N 0.227 120.698 120.400 0.118 0.000 2.032 39 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 39 K C 2.057 178.718 176.600 0.102 0.000 1.048 39 K CA 1.295 57.642 56.287 0.100 0.000 0.927 39 K CB 0.015 32.550 32.500 0.058 0.000 0.712 39 K HN 0.030 nan 8.250 nan 0.000 0.441 40 K N -0.450 120.011 120.400 0.101 0.000 2.063 40 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 40 K C 1.839 178.511 176.600 0.121 0.000 1.048 40 K CA 1.906 58.248 56.287 0.091 0.000 0.928 40 K CB -0.350 32.200 32.500 0.083 0.000 0.713 40 K HN 0.337 nan 8.250 nan 0.000 0.442 41 W N 1.950 123.254 121.300 0.006 0.000 2.333 41 W HA -0.186 4.474 4.660 -0.000 0.000 0.316 41 W C 1.909 178.446 176.519 0.029 0.000 1.215 41 W CA 1.490 58.842 57.345 0.011 0.000 1.278 41 W CB -0.077 29.379 29.460 -0.005 0.000 1.154 41 W HN -0.096 nan 8.180 nan 0.000 0.486 42 R N -0.219 120.369 120.500 0.146 0.000 2.105 42 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 42 R C 2.225 178.459 176.300 -0.109 0.000 1.135 42 R CA 1.671 57.738 56.100 -0.054 0.000 0.967 42 R CB -0.545 29.838 30.300 0.138 0.000 0.861 42 R HN 0.041 nan 8.270 nan 0.000 0.442 43 R N 0.951 121.429 120.500 -0.035 0.000 2.091 43 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 43 R C 2.266 178.559 176.300 -0.011 0.000 1.136 43 R CA 2.428 58.533 56.100 0.009 0.000 0.959 43 R CB -0.929 29.380 30.300 0.014 0.000 0.856 43 R HN 0.378 nan 8.270 nan 0.000 0.437 44 T N -1.573 112.904 114.554 -0.130 0.000 2.833 44 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 44 T C 1.615 176.175 174.700 -0.233 0.000 1.054 44 T CA 1.038 63.037 62.100 -0.169 0.000 1.135 44 T CB -0.215 68.528 68.868 -0.209 0.000 0.869 44 T HN 0.212 nan 8.240 nan 0.000 0.466 45 Q N -0.108 119.464 119.800 -0.380 0.000 2.137 45 Q HA 0.122 4.461 4.340 -0.000 0.000 0.198 45 Q C 1.996 177.915 176.000 -0.136 0.000 0.960 45 Q CA 0.896 56.489 55.803 -0.349 0.000 0.847 45 Q CB -0.684 27.707 28.738 -0.579 0.000 0.915 45 Q HN 0.679 nan 8.270 nan 0.000 0.448 46 F N 1.536 121.378 119.950 -0.181 0.000 2.102 46 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 46 F C 1.924 177.678 175.800 -0.076 0.000 1.105 46 F CA 1.161 59.102 58.000 -0.099 0.000 1.239 46 F CB -0.224 38.734 39.000 -0.070 0.000 0.991 46 F HN -0.045 nan 8.300 nan 0.000 0.474 47 L N -0.618 120.548 121.223 -0.095 0.000 2.056 47 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 47 L C 2.382 179.138 176.870 -0.191 0.000 1.078 47 L CA 1.706 56.446 54.840 -0.166 0.000 0.749 47 L CB -1.218 40.837 42.059 -0.006 0.000 0.901 47 L HN 0.118 nan 8.230 nan 0.000 0.433 48 T N -0.804 113.658 114.554 -0.154 0.000 2.684 48 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 48 T C 1.796 176.404 174.700 -0.154 0.000 1.036 48 T CA 1.289 63.306 62.100 -0.137 0.000 1.148 48 T CB -0.128 68.664 68.868 -0.126 0.000 0.863 48 T HN 0.278 nan 8.240 nan 0.000 0.436 49 E N 1.102 121.195 120.200 -0.179 0.000 2.106 49 E HA 0.026 4.375 4.350 -0.000 0.000 0.192 49 E C 2.573 179.052 176.600 -0.202 0.000 0.984 49 E CA 1.006 57.308 56.400 -0.162 0.000 0.806 49 E CB -0.552 29.069 29.700 -0.132 0.000 0.750 49 E HN 0.508 nan 8.360 nan 0.000 0.458 50 A N 1.056 123.686 122.820 -0.317 0.000 1.883 50 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 50 A C 2.517 179.988 177.584 -0.187 0.000 1.186 50 A CA 1.967 53.825 52.037 -0.298 0.000 0.624 50 A CB -0.529 18.205 19.000 -0.444 0.000 0.822 50 A HN 0.185 nan 8.150 nan 0.000 0.444 51 S N -0.553 115.042 115.700 -0.175 0.000 2.387 51 S HA -0.092 4.378 4.470 -0.000 0.000 0.226 51 S C 1.921 176.441 174.600 -0.134 0.000 1.026 51 S CA 1.369 59.479 58.200 -0.151 0.000 0.972 51 S CB -0.197 62.909 63.200 -0.157 0.000 0.814 51 S HN 0.602 nan 8.310 nan 0.000 0.477 52 K N 1.354 121.683 120.400 -0.119 0.000 2.044 52 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 52 K C 2.122 178.672 176.600 -0.083 0.000 1.049 52 K CA 1.383 57.614 56.287 -0.093 0.000 0.927 52 K CB -0.145 32.307 32.500 -0.080 0.000 0.713 52 K HN 0.238 nan 8.250 nan 0.000 0.443 53 K N 0.721 121.069 120.400 -0.087 0.000 2.057 53 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 53 K C 2.079 178.639 176.600 -0.067 0.000 1.049 53 K CA 1.172 57.417 56.287 -0.071 0.000 0.931 53 K CB -0.123 32.334 32.500 -0.071 0.000 0.714 53 K HN 0.088 nan 8.250 nan 0.000 0.440 54 L N 0.657 121.832 121.223 -0.080 0.000 2.141 54 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 54 L C 2.237 179.062 176.870 -0.076 0.000 1.094 54 L CA 0.897 55.693 54.840 -0.073 0.000 0.763 54 L CB -0.369 41.641 42.059 -0.082 0.000 0.908 54 L HN 0.172 nan 8.230 nan 0.000 0.437 55 I N -0.048 120.470 120.570 -0.088 0.000 2.226 55 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 55 I C 2.444 178.527 176.117 -0.057 0.000 1.100 55 I CA 1.558 62.810 61.300 -0.080 0.000 1.374 55 I CB -0.471 37.478 38.000 -0.084 0.000 1.057 55 I HN 0.412 nan 8.210 nan 0.000 0.413 56 N N 1.402 120.071 118.700 -0.051 0.000 2.166 56 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 56 N C 2.078 177.568 175.510 -0.034 0.000 1.019 56 N CA 1.165 54.191 53.050 -0.039 0.000 0.856 56 N CB 0.034 38.500 38.487 -0.036 0.000 0.993 56 N HN 0.268 nan 8.380 nan 0.000 0.426 57 I N 0.739 121.288 120.570 -0.036 0.000 2.226 57 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 57 I C 2.488 178.589 176.117 -0.026 0.000 1.100 57 I CA 0.724 62.007 61.300 -0.028 0.000 1.374 57 I CB -0.228 37.755 38.000 -0.027 0.000 1.057 57 I HN 0.334 nan 8.210 nan 0.000 0.413 58 C N -0.091 119.189 119.300 -0.033 0.000 2.413 58 C HA -0.175 4.285 4.460 -0.000 0.000 0.277 58 C C 3.194 178.169 174.990 -0.026 0.000 1.228 58 C CA 1.412 60.412 59.018 -0.030 0.000 1.731 58 C CB -0.993 26.723 27.740 -0.041 0.000 2.042 58 C HN 0.491 nan 8.230 nan 0.000 0.468 59 S N 0.332 116.015 115.700 -0.028 0.000 2.359 59 S HA -0.199 4.271 4.470 -0.000 0.000 0.224 59 S C 1.876 176.464 174.600 -0.019 0.000 1.035 59 S CA 1.438 59.623 58.200 -0.024 0.000 1.018 59 S CB -0.288 62.897 63.200 -0.025 0.000 0.876 59 S HN 0.633 nan 8.310 nan 0.000 0.448 60 K N 1.141 121.529 120.400 -0.019 0.000 2.057 60 K HA -0.021 4.299 4.320 -0.000 0.000 0.207 60 K C 2.419 179.011 176.600 -0.013 0.000 1.049 60 K CA 1.171 57.449 56.287 -0.015 0.000 0.931 60 K CB -0.319 32.172 32.500 -0.015 0.000 0.714 60 K HN 0.342 nan 8.250 nan 0.000 0.440 61 A N 1.043 123.855 122.820 -0.013 0.000 1.898 61 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 61 A C 2.376 179.955 177.584 -0.010 0.000 1.181 61 A CA 1.317 53.348 52.037 -0.010 0.000 0.620 61 A CB -0.650 18.344 19.000 -0.010 0.000 0.819 61 A HN 0.061 nan 8.150 nan 0.000 0.442 62 V N 0.085 119.992 119.914 -0.011 0.000 2.287 62 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 62 V C 2.836 178.924 176.094 -0.009 0.000 1.053 62 V CA 2.055 64.349 62.300 -0.010 0.000 1.027 62 V CB -1.533 30.283 31.823 -0.012 0.000 0.646 62 V HN 0.617 nan 8.190 nan 0.000 0.447 63 G N -0.476 108.318 108.800 -0.010 0.000 2.440 63 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.218 63 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.218 63 G C 1.750 176.645 174.900 -0.008 0.000 1.154 63 G CA 1.145 46.240 45.100 -0.009 0.000 0.767 63 G HN 0.630 nan 8.290 nan 0.000 0.552 64 A N 0.587 123.402 122.820 -0.007 0.000 1.930 64 A HA 0.066 4.385 4.320 -0.000 0.000 0.217 64 A C 2.312 179.893 177.584 -0.005 0.000 1.175 64 A CA 1.887 53.920 52.037 -0.006 0.000 0.627 64 A CB -0.290 18.706 19.000 -0.006 0.000 0.815 64 A HN 0.382 nan 8.150 nan 0.000 0.443 65 K N -0.231 120.165 120.400 -0.005 0.000 2.057 65 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 65 K C 1.996 178.593 176.600 -0.004 0.000 1.050 65 K CA 1.242 57.526 56.287 -0.004 0.000 0.935 65 K CB -0.090 32.408 32.500 -0.004 0.000 0.715 65 K HN 0.184 nan 8.250 nan 0.000 0.439 66 K N 1.258 121.655 120.400 -0.005 0.000 2.057 66 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 66 K C 2.022 178.619 176.600 -0.005 0.000 1.049 66 K CA 1.275 57.559 56.287 -0.005 0.000 0.931 66 K CB -0.141 32.355 32.500 -0.006 0.000 0.714 66 K HN 0.125 nan 8.250 nan 0.000 0.440 67 K N 0.691 121.088 120.400 -0.005 0.000 2.097 67 K HA -0.071 4.248 4.320 -0.000 0.000 0.206 67 K C 1.781 178.379 176.600 -0.004 0.000 1.049 67 K CA 1.288 57.572 56.287 -0.004 0.000 0.933 67 K CB -0.039 32.458 32.500 -0.005 0.000 0.717 67 K HN 0.078 nan 8.250 nan 0.000 0.442 68 A N 0.600 123.418 122.820 -0.004 0.000 2.208 68 A HA 0.047 4.366 4.320 -0.000 0.000 0.209 68 A C 0.368 177.951 177.584 -0.003 0.000 1.161 68 A CA 0.735 52.771 52.037 -0.003 0.000 0.782 68 A CB -0.118 18.880 19.000 -0.003 0.000 0.816 68 A HN 0.438 nan 8.150 nan 0.000 0.477 69 K N -0.380 120.018 120.400 -0.003 0.000 3.192 69 K HA -0.176 4.144 4.320 -0.000 0.000 0.278 69 K C 0.010 176.609 176.600 -0.002 0.000 1.164 69 K CA 1.055 57.340 56.287 -0.003 0.000 0.816 69 K CB -1.860 30.639 32.500 -0.002 0.000 1.256 69 K HN 0.837 nan 8.250 nan 0.000 0.497 70 E N 0.373 120.572 120.200 -0.002 0.000 2.414 70 E HA 0.299 4.649 4.350 -0.000 0.000 0.263 70 E C 0.275 176.874 176.600 -0.002 0.000 1.000 70 E CA 0.305 56.704 56.400 -0.002 0.000 0.914 70 E CB 0.553 30.252 29.700 -0.002 0.000 0.948 70 E HN 0.342 nan 8.360 nan 0.000 0.444 71 A N 4.279 127.099 122.820 -0.002 0.000 2.483 71 A HA -0.028 4.292 4.320 -0.000 0.000 0.238 71 A C 0.569 178.152 177.584 -0.001 0.000 1.070 71 A CA -0.155 51.881 52.037 -0.001 0.000 0.770 71 A CB 0.314 19.314 19.000 -0.001 0.000 1.008 71 A HN 0.859 nan 8.150 nan 0.000 0.497 72 D N 0.433 120.832 120.400 -0.002 0.000 2.144 72 D HA 0.249 4.889 4.640 -0.000 0.000 0.199 72 D C 1.152 177.451 176.300 -0.001 0.000 0.984 72 D CA 2.149 56.148 54.000 -0.002 0.000 0.834 72 D CB -0.145 40.654 40.800 -0.002 0.000 0.955 72 D HN 1.224 nan 8.370 nan 0.000 0.465 73 G N -0.498 108.302 108.800 -0.000 0.000 2.371 73 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.663 73 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.663 73 G C -0.331 174.570 174.900 0.001 0.000 1.311 73 G CA -0.101 44.999 45.100 0.001 0.000 0.985 73 G HN -0.094 nan 8.290 nan 0.000 0.566 74 D N -0.760 119.641 120.400 0.002 0.000 2.213 74 D HA 0.261 4.901 4.640 -0.000 0.000 0.205 74 D C 1.314 177.615 176.300 0.002 0.000 0.961 74 D CA 2.124 56.124 54.000 0.002 0.000 0.853 74 D CB 0.524 41.325 40.800 0.002 0.000 0.967 74 D HN 0.623 nan 8.370 nan 0.000 0.496 75 T N -1.897 112.659 114.554 0.003 0.000 2.840 75 T HA 0.237 4.587 4.350 -0.000 0.000 0.317 75 T C 0.266 174.969 174.700 0.005 0.000 1.401 75 T CA -0.313 61.790 62.100 0.004 0.000 1.028 75 T CB 1.461 70.332 68.868 0.004 0.000 1.317 75 T HN -0.127 nan 8.240 nan 0.000 0.495 76 S N 1.203 116.907 115.700 0.006 0.000 2.548 76 S HA 0.219 4.689 4.470 -0.000 0.000 0.215 76 S C 0.553 175.160 174.600 0.013 0.000 0.976 76 S CA -0.137 58.068 58.200 0.008 0.000 0.908 76 S CB -0.250 62.953 63.200 0.006 0.000 0.781 76 S HN 0.749 nan 8.310 nan 0.000 0.519 77 E N 1.614 121.822 120.200 0.012 0.000 2.465 77 E HA 0.066 4.416 4.350 -0.000 0.000 0.260 77 E C -0.606 176.006 176.600 0.020 0.000 0.980 77 E CA -0.230 56.179 56.400 0.015 0.000 0.927 77 E CB 0.311 30.018 29.700 0.011 0.000 0.934 77 E HN 0.255 nan 8.360 nan 0.000 0.459 78 I N 6.945 127.533 120.570 0.030 0.000 2.395 78 I HA 0.189 4.359 4.170 -0.000 0.000 0.289 78 I C -1.946 174.187 176.117 0.026 0.000 1.023 78 I CA -2.837 58.487 61.300 0.041 0.000 1.350 78 I CB 0.308 38.355 38.000 0.077 0.000 1.409 78 I HN 0.426 nan 8.210 nan 0.000 0.507 79 P HA 0.142 nan 4.420 nan 0.000 0.265 79 P C -1.997 175.298 177.300 -0.009 0.000 1.193 79 P CA -0.978 62.125 63.100 0.006 0.000 0.765 79 P CB -0.034 31.669 31.700 0.006 0.000 0.823 80 P HA -0.245 nan 4.420 nan 0.000 0.216 80 P C 1.504 178.766 177.300 -0.062 0.000 1.150 80 P CA 1.599 64.673 63.100 -0.043 0.000 0.843 80 P CB -0.166 31.514 31.700 -0.033 0.000 0.787 81 Q N -0.899 118.877 119.800 -0.041 0.000 2.167 81 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 81 Q C 1.760 177.729 176.000 -0.050 0.000 0.970 81 Q CA 1.404 57.182 55.803 -0.042 0.000 0.855 81 Q CB -1.220 27.506 28.738 -0.021 0.000 0.911 81 Q HN 0.043 nan 8.270 nan 0.000 0.438 82 V N 1.475 121.370 119.914 -0.032 0.000 2.307 82 V HA -0.251 3.868 4.120 -0.000 0.000 0.245 82 V C 2.503 178.540 176.094 -0.095 0.000 1.045 82 V CA 2.152 64.452 62.300 -0.001 0.000 1.024 82 V CB -0.683 31.172 31.823 0.053 0.000 0.651 82 V HN 0.451 nan 8.190 nan 0.000 0.449 83 K N 0.127 120.403 120.400 -0.207 0.000 2.032 83 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 83 K C 2.118 178.320 176.600 -0.664 0.000 1.048 83 K CA 1.919 57.829 56.287 -0.628 0.000 0.927 83 K CB -0.171 32.126 32.500 -0.339 0.000 0.712 83 K HN 0.544 nan 8.250 nan 0.000 0.441 84 E N -0.144 119.870 120.200 -0.311 0.000 2.118 84 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 84 E C 1.963 178.460 176.600 -0.171 0.000 0.992 84 E CA 1.103 57.377 56.400 -0.211 0.000 0.804 84 E CB -0.103 29.529 29.700 -0.113 0.000 0.741 84 E HN 0.467 nan 8.360 nan 0.000 0.458 85 A N 1.337 124.078 122.820 -0.131 0.000 1.897 85 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 85 A C 2.097 179.692 177.584 0.019 0.000 1.181 85 A CA 1.427 53.443 52.037 -0.035 0.000 0.620 85 A CB -0.776 18.225 19.000 0.002 0.000 0.821 85 A HN 0.481 nan 8.150 nan 0.000 0.443 86 Y N -0.144 120.152 120.300 -0.007 0.000 2.373 86 Y HA 0.097 4.647 4.550 -0.000 0.000 0.293 86 Y C 1.623 177.515 175.900 -0.013 0.000 1.129 86 Y CA 1.094 59.182 58.100 -0.020 0.000 1.226 86 Y CB -0.755 37.687 38.460 -0.029 0.000 1.000 86 Y HN 0.379 nan 8.280 nan 0.000 0.549 87 E N 0.311 120.458 120.200 -0.087 0.000 2.274 87 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 87 E C 1.082 177.703 176.600 0.034 0.000 0.996 87 E CA 0.740 57.130 56.400 -0.015 0.000 0.840 87 E CB -0.086 29.531 29.700 -0.138 0.000 0.772 87 E HN 0.594 nan 8.360 nan 0.000 0.491 88 N N -0.503 118.218 118.700 0.036 0.000 2.205 88 N HA 0.028 4.768 4.740 -0.000 0.000 0.201 88 N C 0.598 176.201 175.510 0.156 0.000 1.128 88 N CA 0.649 53.744 53.050 0.076 0.000 0.867 88 N CB 1.591 40.102 38.487 0.040 0.000 0.996 88 N HN 0.162 nan 8.380 nan 0.000 0.503 89 G N 1.642 110.525 108.800 0.137 0.000 2.198 89 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 89 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 89 G C 0.646 175.631 174.900 0.143 0.000 1.042 89 G CA 1.093 46.267 45.100 0.124 0.000 0.791 89 G HN 0.427 nan 8.290 nan 0.000 0.502 90 T N -3.086 111.529 114.554 0.101 0.000 3.091 90 T HA 0.531 4.881 4.350 -0.000 0.000 0.277 90 T C 0.629 175.362 174.700 0.054 0.000 0.996 90 T CA 0.088 62.239 62.100 0.084 0.000 0.897 90 T CB 0.650 69.562 68.868 0.073 0.000 1.109 90 T HN 0.791 nan 8.240 nan 0.000 0.534 91 L N 3.023 124.279 121.223 0.055 0.000 2.418 91 L HA 0.475 4.815 4.340 -0.000 0.000 0.274 91 L C -0.413 176.475 176.870 0.030 0.000 1.135 91 L CA -0.024 54.848 54.840 0.053 0.000 0.870 91 L CB 0.212 42.328 42.059 0.096 0.000 1.154 91 L HN -0.049 nan 8.230 nan 0.000 0.462 92 K N 3.729 124.144 120.400 0.025 0.000 2.110 92 K HA 0.424 4.744 4.320 -0.000 0.000 0.263 92 K C 1.062 177.668 176.600 0.009 0.000 0.975 92 K CA 0.107 56.403 56.287 0.015 0.000 0.895 92 K CB 1.230 33.740 32.500 0.016 0.000 1.060 92 K HN 0.723 nan 8.250 nan 0.000 0.448 93 G N 1.837 110.638 108.800 0.001 0.000 2.440 93 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 93 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 93 G C 1.100 176.000 174.900 0.001 0.000 1.154 93 G CA 1.120 46.218 45.100 -0.003 0.000 0.767 93 G HN 0.806 nan 8.290 nan 0.000 0.552 94 E N 0.109 120.311 120.200 0.004 0.000 2.153 94 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 94 E C 2.231 178.835 176.600 0.007 0.000 0.988 94 E CA 1.320 57.723 56.400 0.004 0.000 0.811 94 E CB -0.423 29.280 29.700 0.005 0.000 0.746 94 E HN 0.628 nan 8.360 nan 0.000 0.466 95 Q N 1.001 120.807 119.800 0.010 0.000 2.083 95 Q HA -0.099 4.241 4.340 -0.000 0.000 0.198 95 Q C 2.350 178.358 176.000 0.014 0.000 0.969 95 Q CA 1.403 57.214 55.803 0.013 0.000 0.838 95 Q CB 0.150 28.898 28.738 0.017 0.000 0.900 95 Q HN 0.240 nan 8.270 nan 0.000 0.436 96 V N 1.550 121.473 119.914 0.014 0.000 2.392 96 V HA -0.266 3.853 4.120 -0.000 0.000 0.249 96 V C 1.730 177.827 176.094 0.005 0.000 1.059 96 V CA 2.174 64.481 62.300 0.011 0.000 1.051 96 V CB -0.503 31.322 31.823 0.004 0.000 0.658 96 V HN 0.422 nan 8.190 nan 0.000 0.455 97 E N -0.530 119.671 120.200 0.003 0.000 2.409 97 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 97 E C 2.103 178.704 176.600 0.002 0.000 1.024 97 E CA 0.388 56.788 56.400 0.000 0.000 0.861 97 E CB -0.041 29.659 29.700 -0.001 0.000 0.788 97 E HN 0.591 nan 8.360 nan 0.000 0.521 98 Q N -0.093 119.709 119.800 0.005 0.000 2.389 98 Q HA 0.052 4.392 4.340 -0.000 0.000 0.204 98 Q C 0.787 176.791 176.000 0.006 0.000 0.944 98 Q CA 0.419 56.225 55.803 0.005 0.000 0.908 98 Q CB 0.196 28.938 28.738 0.006 0.000 1.002 98 Q HN 0.329 nan 8.270 nan 0.000 0.493 99 L N 0.956 122.183 121.223 0.007 0.000 2.453 99 L HA 0.107 4.447 4.340 -0.000 0.000 0.261 99 L C 0.953 177.826 176.870 0.004 0.000 1.179 99 L CA -0.758 54.087 54.840 0.007 0.000 0.813 99 L CB 0.367 42.432 42.059 0.010 0.000 1.110 99 L HN 0.140 nan 8.230 nan 0.000 0.466 100 C N 0.299 119.601 119.300 0.004 0.000 2.563 100 C HA 0.283 4.743 4.460 -0.000 0.000 0.358 100 C C 1.951 176.941 174.990 0.000 0.000 1.336 100 C CA -0.893 58.126 59.018 0.002 0.000 2.454 100 C CB 0.682 28.423 27.740 0.002 0.000 2.448 100 C HN 0.679 nan 8.230 nan 0.000 0.670 101 V N 1.838 121.751 119.914 -0.002 0.000 2.282 101 V HA -0.249 3.870 4.120 -0.000 0.000 0.249 101 V C 2.537 178.629 176.094 -0.003 0.000 1.057 101 V CA 2.508 64.806 62.300 -0.004 0.000 1.032 101 V CB -0.962 30.859 31.823 -0.004 0.000 0.645 101 V HN 0.899 nan 8.190 nan 0.000 0.447 102 L N -0.764 120.458 121.223 -0.001 0.000 2.079 102 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 102 L C 2.660 179.531 176.870 0.001 0.000 1.081 102 L CA 1.763 56.602 54.840 -0.001 0.000 0.752 102 L CB -0.658 41.401 42.059 0.001 0.000 0.896 102 L HN 0.400 nan 8.230 nan 0.000 0.433 103 Q N -0.149 119.653 119.800 0.003 0.000 2.079 103 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 103 Q C 2.400 178.402 176.000 0.004 0.000 0.974 103 Q CA 1.154 56.961 55.803 0.008 0.000 0.840 103 Q CB -0.113 28.632 28.738 0.012 0.000 0.898 103 Q HN 0.482 nan 8.270 nan 0.000 0.430 104 L N 0.661 121.883 121.223 -0.002 0.000 2.042 104 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 104 L C 2.279 179.138 176.870 -0.017 0.000 1.076 104 L CA 1.347 56.182 54.840 -0.009 0.000 0.749 104 L CB -0.324 41.729 42.059 -0.010 0.000 0.893 104 L HN 0.132 nan 8.230 nan 0.000 0.432 105 K N -0.540 119.852 120.400 -0.014 0.000 2.057 105 K HA -0.236 4.083 4.320 -0.000 0.000 0.206 105 K C 2.184 178.773 176.600 -0.018 0.000 1.050 105 K CA 1.368 57.645 56.287 -0.017 0.000 0.935 105 K CB -0.122 32.371 32.500 -0.012 0.000 0.715 105 K HN 0.107 nan 8.250 nan 0.000 0.439 106 Q N 1.326 121.120 119.800 -0.010 0.000 2.084 106 Q HA -0.142 4.197 4.340 -0.000 0.000 0.202 106 Q C 1.936 177.927 176.000 -0.014 0.000 0.978 106 Q CA 1.238 57.037 55.803 -0.006 0.000 0.844 106 Q CB -0.255 28.487 28.738 0.008 0.000 0.898 106 Q HN 0.202 nan 8.270 nan 0.000 0.426 107 L N -0.096 121.117 121.223 -0.016 0.000 2.046 107 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 107 L C 2.320 179.128 176.870 -0.104 0.000 1.077 107 L CA 2.253 57.067 54.840 -0.044 0.000 0.747 107 L CB -1.161 40.885 42.059 -0.021 0.000 0.896 107 L HN 0.322 nan 8.230 nan 0.000 0.432 108 S N -0.838 114.816 115.700 -0.077 0.000 2.368 108 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 108 S C 2.080 176.626 174.600 -0.090 0.000 1.030 108 S CA 1.603 59.751 58.200 -0.087 0.000 0.999 108 S CB -0.198 62.966 63.200 -0.059 0.000 0.844 108 S HN 0.538 nan 8.310 nan 0.000 0.459 109 K N 0.394 120.755 120.400 -0.065 0.000 2.057 109 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 109 K C 1.796 178.353 176.600 -0.072 0.000 1.049 109 K CA 1.603 57.857 56.287 -0.055 0.000 0.931 109 K CB -0.256 32.224 32.500 -0.032 0.000 0.714 109 K HN 0.375 nan 8.250 nan 0.000 0.440 110 D N 0.984 121.333 120.400 -0.086 0.000 2.117 110 D HA -0.102 4.537 4.640 -0.000 0.000 0.198 110 D C 1.940 178.101 176.300 -0.231 0.000 0.982 110 D CA 0.920 54.862 54.000 -0.096 0.000 0.828 110 D CB -0.156 40.627 40.800 -0.029 0.000 0.967 110 D HN 0.106 nan 8.370 nan 0.000 0.464 111 L N 0.612 121.628 121.223 -0.345 0.000 2.093 111 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 111 L C 2.425 179.172 176.870 -0.206 0.000 1.085 111 L CA 0.793 55.398 54.840 -0.391 0.000 0.755 111 L CB -0.278 41.562 42.059 -0.365 0.000 0.904 111 L HN -0.065 nan 8.230 nan 0.000 0.435 112 S N -0.327 115.288 115.700 -0.142 0.000 2.368 112 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 112 S C 1.508 176.066 174.600 -0.070 0.000 1.030 112 S CA 1.336 59.481 58.200 -0.092 0.000 0.999 112 S CB -0.282 62.877 63.200 -0.069 0.000 0.844 112 S HN 0.448 nan 8.310 nan 0.000 0.459 113 D N 1.172 121.534 120.400 -0.063 0.000 2.144 113 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 113 D C 2.029 178.313 176.300 -0.028 0.000 0.984 113 D CA 0.797 54.777 54.000 -0.033 0.000 0.834 113 D CB -0.438 40.353 40.800 -0.014 0.000 0.955 113 D HN 0.438 nan 8.370 nan 0.000 0.465 114 Q N 0.697 120.469 119.800 -0.047 0.000 2.084 114 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 114 Q C 2.151 178.131 176.000 -0.033 0.000 0.978 114 Q CA 1.095 56.887 55.803 -0.018 0.000 0.844 114 Q CB 0.106 28.828 28.738 -0.028 0.000 0.898 114 Q HN 0.094 nan 8.270 nan 0.000 0.426 115 V N 1.019 120.895 119.914 -0.062 0.000 2.343 115 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 115 V C 2.388 178.460 176.094 -0.037 0.000 1.051 115 V CA 1.789 64.054 62.300 -0.058 0.000 1.036 115 V CB -1.014 30.767 31.823 -0.071 0.000 0.654 115 V HN 0.496 nan 8.190 nan 0.000 0.451 116 A N 0.410 123.212 122.820 -0.030 0.000 1.898 116 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 116 A C 2.416 179.996 177.584 -0.007 0.000 1.181 116 A CA 1.869 53.896 52.037 -0.016 0.000 0.620 116 A CB -1.150 17.841 19.000 -0.014 0.000 0.819 116 A HN 0.520 nan 8.150 nan 0.000 0.442 117 G N -0.235 108.562 108.800 -0.004 0.000 2.402 117 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.216 117 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.216 117 G C 1.538 176.440 174.900 0.002 0.000 1.162 117 G CA 0.969 46.072 45.100 0.005 0.000 0.777 117 G HN 0.422 nan 8.290 nan 0.000 0.539 118 L N 0.648 121.866 121.223 -0.008 0.000 2.131 118 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 118 L C 3.353 180.209 176.870 -0.023 0.000 1.092 118 L CA 0.865 55.693 54.840 -0.021 0.000 0.759 118 L CB -0.279 41.756 42.059 -0.040 0.000 0.903 118 L HN 0.317 nan 8.230 nan 0.000 0.435 119 A N 0.099 122.910 122.820 -0.014 0.000 1.930 119 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 119 A C 2.305 179.904 177.584 0.026 0.000 1.175 119 A CA 1.440 53.479 52.037 0.003 0.000 0.627 119 A CB -0.235 18.766 19.000 0.003 0.000 0.815 119 A HN 0.318 nan 8.150 nan 0.000 0.443 120 K N -0.273 120.139 120.400 0.020 0.000 2.097 120 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 120 K C 1.946 178.569 176.600 0.039 0.000 1.050 120 K CA 1.452 57.756 56.287 0.028 0.000 0.938 120 K CB -0.143 32.369 32.500 0.019 0.000 0.718 120 K HN 0.596 nan 8.250 nan 0.000 0.442 121 E N 0.767 120.987 120.200 0.032 0.000 2.051 121 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 121 E C 2.124 178.770 176.600 0.078 0.000 0.991 121 E CA 1.019 57.444 56.400 0.042 0.000 0.799 121 E CB -0.135 29.580 29.700 0.024 0.000 0.748 121 E HN 0.321 nan 8.360 nan 0.000 0.449 122 A N 1.421 124.280 122.820 0.066 0.000 1.873 122 A HA -0.356 3.964 4.320 -0.000 0.000 0.218 122 A C 2.165 179.917 177.584 0.281 0.000 1.193 122 A CA 2.151 54.277 52.037 0.148 0.000 0.629 122 A CB -0.807 18.217 19.000 0.040 0.000 0.826 122 A HN 0.291 nan 8.150 nan 0.000 0.447 123 Q N -1.435 118.464 119.800 0.166 0.000 2.030 123 Q HA -0.308 4.032 4.340 -0.000 0.000 0.204 123 Q C 2.249 178.304 176.000 0.091 0.000 0.986 123 Q CA 2.202 58.078 55.803 0.122 0.000 0.843 123 Q CB -0.214 28.567 28.738 0.073 0.000 0.904 123 Q HN 0.642 nan 8.270 nan 0.000 0.420 124 Q N -0.010 119.836 119.800 0.078 0.000 2.224 124 Q HA -0.043 4.297 4.340 -0.000 0.000 0.203 124 Q C 1.777 177.816 176.000 0.064 0.000 0.970 124 Q CA 1.127 56.962 55.803 0.054 0.000 0.865 124 Q CB 0.001 28.765 28.738 0.043 0.000 0.922 124 Q HN 0.508 nan 8.270 nan 0.000 0.445 125 L N -0.488 120.806 121.223 0.118 0.000 2.179 125 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 125 L C 2.092 179.006 176.870 0.073 0.000 1.096 125 L CA 0.855 55.776 54.840 0.136 0.000 0.779 125 L CB -0.172 42.032 42.059 0.243 0.000 0.922 125 L HN 0.245 nan 8.230 nan 0.000 0.443 126 E N 0.073 120.307 120.200 0.057 0.000 2.072 126 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 126 E C 1.991 178.539 176.600 -0.088 0.000 0.985 126 E CA 1.091 57.425 56.400 -0.110 0.000 0.801 126 E CB 0.111 29.742 29.700 -0.116 0.000 0.750 126 E HN 0.503 nan 8.360 nan 0.000 0.452 127 E N 0.736 120.914 120.200 -0.036 0.000 2.047 127 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 127 E C 2.062 178.639 176.600 -0.038 0.000 0.987 127 E CA 0.975 57.352 56.400 -0.038 0.000 0.799 127 E CB -0.021 29.668 29.700 -0.019 0.000 0.752 127 E HN 0.215 nan 8.360 nan 0.000 0.449 128 E N 1.100 121.287 120.200 -0.021 0.000 2.153 128 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 128 E C 2.165 178.741 176.600 -0.040 0.000 0.988 128 E CA 0.932 57.321 56.400 -0.019 0.000 0.811 128 E CB 0.063 29.764 29.700 0.002 0.000 0.746 128 E HN 0.055 nan 8.360 nan 0.000 0.466 129 R N 0.445 120.906 120.500 -0.066 0.000 2.075 129 R HA -0.150 4.190 4.340 -0.000 0.000 0.230 129 R C 1.776 177.998 176.300 -0.129 0.000 1.140 129 R CA 2.198 58.229 56.100 -0.115 0.000 0.928 129 R CB -0.115 30.075 30.300 -0.182 0.000 0.834 129 R HN 0.178 nan 8.270 nan 0.000 0.429 130 D N 0.335 120.657 120.400 -0.131 0.000 2.149 130 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 130 D C 1.642 177.898 176.300 -0.074 0.000 0.972 130 D CA 0.871 54.797 54.000 -0.124 0.000 0.835 130 D CB -0.239 40.486 40.800 -0.125 0.000 0.966 130 D HN 0.305 nan 8.370 nan 0.000 0.476 131 K N 0.412 120.778 120.400 -0.056 0.000 2.127 131 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 131 K C 1.904 178.490 176.600 -0.023 0.000 1.047 131 K CA 0.933 57.202 56.287 -0.031 0.000 0.927 131 K CB -0.022 32.462 32.500 -0.027 0.000 0.716 131 K HN 0.001 nan 8.250 nan 0.000 0.450 132 L N 0.409 121.611 121.223 -0.035 0.000 2.179 132 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 132 L C 2.400 179.255 176.870 -0.025 0.000 1.096 132 L CA 1.232 56.057 54.840 -0.025 0.000 0.779 132 L CB -0.358 41.682 42.059 -0.031 0.000 0.922 132 L HN 0.282 nan 8.230 nan 0.000 0.443 133 M N -1.321 118.242 119.600 -0.061 0.000 2.374 133 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 133 M C 2.044 178.351 176.300 0.013 0.000 1.067 133 M CA 1.280 56.549 55.300 -0.051 0.000 1.103 133 M CB -0.050 32.467 32.600 -0.138 0.000 1.402 133 M HN 0.203 nan 8.290 nan 0.000 0.444 134 L N 0.685 121.913 121.223 0.009 0.000 2.123 134 L HA -0.327 4.013 4.340 -0.000 0.000 0.217 134 L C 1.544 178.453 176.870 0.065 0.000 1.081 134 L CA 1.313 56.177 54.840 0.040 0.000 0.772 134 L CB -0.899 41.177 42.059 0.028 0.000 0.890 134 L HN 0.463 nan 8.230 nan 0.000 0.437 135 N N -0.218 118.516 118.700 0.057 0.000 2.314 135 N HA 0.043 4.783 4.740 -0.000 0.000 0.200 135 N C -0.142 175.421 175.510 0.087 0.000 1.135 135 N CA 0.193 53.281 53.050 0.064 0.000 0.835 135 N CB 0.548 39.064 38.487 0.049 0.000 0.989 135 N HN 0.181 nan 8.380 nan 0.000 0.478 136 V N -1.717 118.272 119.914 0.125 0.000 2.398 136 V HA 0.818 4.938 4.120 -0.000 0.000 0.286 136 V C 0.592 176.805 176.094 0.198 0.000 1.026 136 V CA -0.811 61.586 62.300 0.161 0.000 0.868 136 V CB 1.154 33.114 31.823 0.229 0.000 0.982 136 V HN -0.009 nan 8.190 nan 0.000 0.443 137 G N 3.099 111.969 108.800 0.118 0.000 2.476 137 G HA2 0.269 4.229 3.960 -0.000 0.000 0.286 137 G HA3 0.269 4.229 3.960 -0.000 0.000 0.286 137 G C -0.076 174.871 174.900 0.080 0.000 1.177 137 G CA -0.699 44.431 45.100 0.049 0.000 0.870 137 G HN 0.900 nan 8.290 nan 0.000 0.528 138 N N -0.298 118.376 118.700 -0.043 0.000 2.374 138 N HA -0.034 4.705 4.740 -0.000 0.000 0.241 138 N C 0.687 176.211 175.510 0.023 0.000 1.262 138 N CA -0.162 52.904 53.050 0.027 0.000 0.880 138 N CB 0.296 38.712 38.487 -0.118 0.000 1.105 138 N HN 0.301 nan 8.380 nan 0.000 0.438 139 I N 3.242 123.839 120.570 0.044 0.000 2.662 139 I HA -0.102 4.068 4.170 -0.000 0.000 0.285 139 I C 0.725 176.862 176.117 0.033 0.000 1.161 139 I CA 0.025 61.336 61.300 0.018 0.000 1.415 139 I CB 0.141 38.151 38.000 0.016 0.000 1.385 139 I HN 0.280 nan 8.210 nan 0.000 0.552 140 L N 6.897 128.119 121.223 -0.001 0.000 2.453 140 L HA 0.067 4.407 4.340 -0.000 0.000 0.272 140 L C 1.021 177.891 176.870 -0.000 0.000 1.182 140 L CA 0.066 54.909 54.840 0.005 0.000 0.858 140 L CB 0.076 42.113 42.059 -0.037 0.000 1.120 140 L HN 0.586 nan 8.230 nan 0.000 0.474 141 H N 2.440 121.453 119.070 -0.094 0.000 2.852 141 H HA -0.041 4.515 4.556 -0.000 0.000 0.362 141 H C 0.463 175.647 175.328 -0.240 0.000 1.122 141 H CA -0.207 55.669 56.048 -0.286 0.000 1.419 141 H CB 1.200 30.620 29.762 -0.570 0.000 1.401 141 H HN 0.642 nan 8.280 nan 0.000 0.609 142 E N 1.321 121.015 120.200 -0.843 0.000 2.333 142 E HA -0.142 4.208 4.350 -0.000 0.000 0.198 142 E C 1.757 178.172 176.600 -0.309 0.000 1.007 142 E CA 1.315 57.404 56.400 -0.519 0.000 0.845 142 E CB 0.145 29.508 29.700 -0.563 0.000 0.766 142 E HN 0.556 nan 8.360 nan 0.000 0.507 143 S N -0.772 114.811 115.700 -0.195 0.000 2.556 143 S HA 0.122 4.592 4.470 -0.000 0.000 0.216 143 S C 0.651 175.254 174.600 0.006 0.000 0.970 143 S CA -0.519 57.676 58.200 -0.008 0.000 0.912 143 S CB 0.119 63.395 63.200 0.126 0.000 0.790 143 S HN -0.071 nan 8.310 nan 0.000 0.504 144 V N 4.151 124.057 119.914 -0.013 0.000 2.521 144 V HA 0.289 4.408 4.120 -0.000 0.000 0.286 144 V C -2.243 173.847 176.094 -0.008 0.000 1.034 144 V CA -1.662 60.630 62.300 -0.013 0.000 1.045 144 V CB 0.307 32.122 31.823 -0.014 0.000 0.974 144 V HN 0.278 nan 8.190 nan 0.000 0.480 145 P HA 0.176 nan 4.420 nan 0.000 0.268 145 P C -0.582 176.750 177.300 0.053 0.000 1.204 145 P CA -0.206 62.909 63.100 0.026 0.000 0.768 145 P CB 0.319 32.037 31.700 0.031 0.000 0.842 146 I N 2.952 123.563 120.570 0.070 0.000 2.282 146 I HA 0.545 4.715 4.170 -0.000 0.000 0.290 146 I C 0.534 176.818 176.117 0.278 0.000 1.090 146 I CA -0.401 60.984 61.300 0.141 0.000 1.231 146 I CB -0.693 37.334 38.000 0.045 0.000 1.434 146 I HN 0.371 nan 8.210 nan 0.000 0.487 147 A N 5.804 128.837 122.820 0.354 0.000 2.608 147 A HA 0.545 4.865 4.320 -0.000 0.000 0.292 147 A C 0.244 177.789 177.584 -0.065 0.000 1.066 147 A CA -0.485 51.631 52.037 0.131 0.000 0.676 147 A CB 1.536 20.553 19.000 0.029 0.000 1.277 147 A HN 0.537 nan 8.150 nan 0.000 0.413 148 Q N -0.213 119.312 119.800 -0.458 0.000 2.165 148 Q HA 0.047 4.387 4.340 -0.000 0.000 0.197 148 Q C -0.694 175.202 176.000 -0.173 0.000 0.952 148 Q CA 0.737 56.286 55.803 -0.422 0.000 0.848 148 Q CB 0.212 28.595 28.738 -0.592 0.000 0.931 148 Q HN 0.709 nan 8.270 nan 0.000 0.470 149 D N 0.823 121.138 120.400 -0.143 0.000 2.349 149 D HA 0.114 4.754 4.640 -0.000 0.000 0.232 149 D C 0.307 176.581 176.300 -0.043 0.000 1.071 149 D CA -0.110 53.841 54.000 -0.081 0.000 0.832 149 D CB 1.458 42.210 40.800 -0.081 0.000 1.086 149 D HN 0.032 nan 8.370 nan 0.000 0.504 150 E N 1.717 121.902 120.200 -0.025 0.000 2.049 150 E HA -0.240 4.110 4.350 -0.000 0.000 0.198 150 E C 1.671 178.269 176.600 -0.003 0.000 1.007 150 E CA 1.102 57.498 56.400 -0.007 0.000 0.809 150 E CB 0.180 29.880 29.700 0.001 0.000 0.749 150 E HN 0.551 nan 8.360 nan 0.000 0.450 151 E N 0.414 120.612 120.200 -0.004 0.000 2.219 151 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 151 E C 1.685 178.287 176.600 0.002 0.000 0.998 151 E CA 2.014 58.416 56.400 0.004 0.000 0.818 151 E CB -0.369 29.332 29.700 0.003 0.000 0.741 151 E HN 0.404 nan 8.360 nan 0.000 0.477 152 T N -4.450 110.100 114.554 -0.007 0.000 2.954 152 T HA 0.343 4.693 4.350 -0.000 0.000 0.252 152 T C 1.859 176.555 174.700 -0.007 0.000 0.983 152 T CA 0.244 62.339 62.100 -0.007 0.000 0.941 152 T CB 0.204 69.064 68.868 -0.013 0.000 1.141 152 T HN 0.191 nan 8.240 nan 0.000 0.500 153 G N 1.719 110.513 108.800 -0.010 0.000 2.603 153 G HA2 0.117 4.077 3.960 -0.000 0.000 0.214 153 G HA3 0.117 4.077 3.960 -0.000 0.000 0.214 153 G C 0.526 175.433 174.900 0.010 0.000 1.140 153 G CA -0.345 44.754 45.100 -0.002 0.000 0.800 153 G HN 0.367 nan 8.290 nan 0.000 0.533 154 N N 0.917 119.622 118.700 0.009 0.000 2.453 154 N HA 0.220 4.960 4.740 -0.000 0.000 0.253 154 N C -0.374 175.145 175.510 0.015 0.000 1.252 154 N CA 0.480 53.539 53.050 0.016 0.000 0.917 154 N CB 0.787 39.283 38.487 0.016 0.000 1.117 154 N HN -0.125 nan 8.380 nan 0.000 0.442 155 T N 0.612 115.182 114.554 0.027 0.000 2.771 155 T HA 0.288 4.638 4.350 -0.000 0.000 0.281 155 T C 0.124 174.842 174.700 0.031 0.000 0.982 155 T CA -0.629 61.487 62.100 0.028 0.000 0.978 155 T CB 0.973 69.865 68.868 0.041 0.000 0.930 155 T HN 0.062 nan 8.240 nan 0.000 0.447 156 V N 5.016 124.932 119.914 0.003 0.000 2.439 156 V HA 0.050 4.170 4.120 -0.000 0.000 0.271 156 V C 1.326 177.429 176.094 0.016 0.000 1.040 156 V CA 0.092 62.385 62.300 -0.012 0.000 1.002 156 V CB 0.748 32.532 31.823 -0.064 0.000 1.000 156 V HN 0.843 nan 8.190 nan 0.000 0.477 157 V N 4.777 124.716 119.914 0.042 0.000 2.725 157 V HA 0.183 4.303 4.120 -0.000 0.000 0.247 157 V C 0.875 176.984 176.094 0.026 0.000 1.058 157 V CA 1.005 63.334 62.300 0.048 0.000 1.080 157 V CB -0.264 31.600 31.823 0.067 0.000 0.713 157 V HN 0.896 nan 8.190 nan 0.000 0.465 158 R N -0.343 120.173 120.500 0.026 0.000 2.664 158 R HA 0.466 4.806 4.340 -0.000 0.000 0.260 158 R C -1.280 175.045 176.300 0.040 0.000 1.062 158 R CA 0.149 56.271 56.100 0.036 0.000 0.902 158 R CB 1.880 32.212 30.300 0.054 0.000 1.258 158 R HN 0.271 nan 8.270 nan 0.000 0.465 159 T N -0.166 114.390 114.554 0.004 0.000 2.903 159 T HA 0.701 5.051 4.350 -0.000 0.000 0.299 159 T C -1.324 173.310 174.700 -0.109 0.000 1.093 159 T CA -0.691 61.372 62.100 -0.061 0.000 1.002 159 T CB 1.594 70.418 68.868 -0.072 0.000 1.127 159 T HN 0.354 nan 8.240 nan 0.000 0.488 160 F N 0.895 120.539 119.950 -0.510 0.000 2.569 160 F HA 0.689 5.216 4.527 -0.000 0.000 0.312 160 F C 0.318 175.910 175.800 -0.348 0.000 1.109 160 F CA 0.929 58.626 58.000 -0.505 0.000 0.919 160 F CB 1.416 39.906 39.000 -0.850 0.000 1.211 160 F HN 1.406 nan 8.300 nan 0.000 0.446 161 G N 3.985 112.075 108.800 -1.184 0.000 2.728 161 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.294 161 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.294 161 G C -1.382 173.238 174.900 -0.466 0.000 1.342 161 G CA -0.612 43.902 45.100 -0.977 0.000 0.866 161 G HN 1.045 nan 8.290 nan 0.000 0.534 162 N N 0.727 119.224 118.700 -0.337 0.000 2.439 162 N HA 0.397 5.137 4.740 -0.000 0.000 0.243 162 N C 1.422 176.749 175.510 -0.305 0.000 1.088 162 N CA 0.601 53.496 53.050 -0.258 0.000 0.940 162 N CB 0.555 38.932 38.487 -0.184 0.000 1.180 162 N HN 1.016 nan 8.380 nan 0.000 0.505 163 T N -1.077 113.203 114.554 -0.456 0.000 3.145 163 T HA 0.035 4.385 4.350 -0.000 0.000 0.255 163 T C 1.181 174.960 174.700 -1.536 0.000 1.039 163 T CA 0.359 61.883 62.100 -0.960 0.000 0.928 163 T CB -0.285 68.319 68.868 -0.440 0.000 1.029 163 T HN 0.444 nan 8.240 nan 0.000 0.554 164 T N -1.291 112.798 114.554 -0.774 0.000 2.975 164 T HA 0.240 4.590 4.350 -0.000 0.000 0.257 164 T C 0.662 175.299 174.700 -0.104 0.000 1.003 164 T CA -0.637 61.165 62.100 -0.496 0.000 0.932 164 T CB -0.216 68.488 68.868 -0.273 0.000 1.087 164 T HN 0.618 nan 8.240 nan 0.000 0.512 165 K N 1.757 122.147 120.400 -0.017 0.000 2.414 165 K HA 0.301 4.621 4.320 -0.000 0.000 0.272 165 K C -0.252 176.515 176.600 0.278 0.000 0.993 165 K CA -0.477 55.874 56.287 0.107 0.000 0.964 165 K CB 0.592 33.129 32.500 0.063 0.000 0.925 165 K HN -0.012 nan 8.250 nan 0.000 0.487 166 R N 0.458 121.045 120.500 0.144 0.000 2.873 166 R HA 0.714 5.054 4.340 -0.000 0.000 0.264 166 R C -0.759 175.563 176.300 0.037 0.000 1.026 166 R CA -0.944 55.218 56.100 0.105 0.000 1.002 166 R CB 1.903 32.250 30.300 0.078 0.000 1.174 166 R HN 0.888 nan 8.270 nan 0.000 0.488 167 A N 0.349 123.170 122.820 0.001 0.000 2.569 167 A HA 0.403 4.723 4.320 -0.000 0.000 0.290 167 A C 0.405 177.980 177.584 -0.015 0.000 1.136 167 A CA -0.587 51.443 52.037 -0.011 0.000 0.710 167 A CB 1.808 20.791 19.000 -0.028 0.000 1.303 167 A HN 0.671 nan 8.150 nan 0.000 0.413 168 K N -0.188 120.208 120.400 -0.006 0.000 2.005 168 K HA 0.193 4.513 4.320 -0.000 0.000 0.206 168 K C -0.147 176.440 176.600 -0.021 0.000 1.044 168 K CA 0.935 57.216 56.287 -0.010 0.000 0.942 168 K CB -0.182 32.318 32.500 -0.001 0.000 0.727 168 K HN 0.635 nan 8.250 nan 0.000 0.439 169 L N 2.831 124.049 121.223 -0.008 0.000 2.317 169 L HA 0.203 4.543 4.340 -0.000 0.000 0.281 169 L C -0.276 176.585 176.870 -0.016 0.000 1.024 169 L CA -1.234 53.593 54.840 -0.021 0.000 0.810 169 L CB 1.393 43.445 42.059 -0.013 0.000 1.240 169 L HN 0.352 nan 8.230 nan 0.000 0.427 170 N N 0.155 118.823 118.700 -0.053 0.000 2.347 170 N HA -0.028 4.712 4.740 -0.000 0.000 0.253 170 N C 0.765 176.241 175.510 -0.056 0.000 1.274 170 N CA -0.036 52.978 53.050 -0.061 0.000 0.941 170 N CB 0.256 38.657 38.487 -0.143 0.000 1.200 170 N HN 0.658 nan 8.380 nan 0.000 0.514 171 H N -1.812 117.288 119.070 0.051 0.000 2.421 171 H HA 0.002 4.558 4.556 -0.000 0.000 0.298 171 H C 1.268 176.629 175.328 0.055 0.000 1.087 171 H CA 1.315 57.408 56.048 0.075 0.000 1.330 171 H CB -0.480 29.365 29.762 0.139 0.000 1.388 171 H HN 0.211 nan 8.280 nan 0.000 0.526 172 V N 0.627 120.248 119.914 -0.489 0.000 2.295 172 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 172 V C 2.492 178.527 176.094 -0.099 0.000 1.049 172 V CA 1.986 64.142 62.300 -0.240 0.000 1.024 172 V CB -0.689 30.961 31.823 -0.287 0.000 0.648 172 V HN 0.516 nan 8.190 nan 0.000 0.447 173 S N -0.144 115.487 115.700 -0.115 0.000 2.382 173 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 173 S C 1.891 176.461 174.600 -0.049 0.000 1.027 173 S CA 1.580 59.729 58.200 -0.085 0.000 0.991 173 S CB -0.346 62.795 63.200 -0.099 0.000 0.823 173 S HN 0.487 nan 8.310 nan 0.000 0.469 174 I N 1.270 121.853 120.570 0.022 0.000 2.179 174 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 174 I C 2.381 178.612 176.117 0.190 0.000 1.088 174 I CA 1.293 62.686 61.300 0.155 0.000 1.357 174 I CB -0.295 37.833 38.000 0.214 0.000 1.051 174 I HN 0.286 nan 8.210 nan 0.000 0.409 175 M N -0.142 119.537 119.600 0.130 0.000 2.229 175 M HA -0.186 4.294 4.480 -0.000 0.000 0.264 175 M C 2.195 178.551 176.300 0.093 0.000 1.063 175 M CA 1.375 56.748 55.300 0.122 0.000 1.114 175 M CB -0.363 32.304 32.600 0.111 0.000 1.387 175 M HN 0.157 nan 8.290 nan 0.000 0.420 176 E N 1.302 121.532 120.200 0.050 0.000 2.031 176 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 176 E C 1.817 178.431 176.600 0.023 0.000 0.994 176 E CA 1.789 58.203 56.400 0.024 0.000 0.800 176 E CB -0.125 29.566 29.700 -0.015 0.000 0.752 176 E HN 0.357 nan 8.360 nan 0.000 0.447 177 R N -0.171 120.320 120.500 -0.016 0.000 2.148 177 R HA 0.022 4.362 4.340 -0.000 0.000 0.227 177 R C 2.518 178.925 176.300 0.178 0.000 1.103 177 R CA 1.122 57.179 56.100 -0.072 0.000 0.983 177 R CB -0.353 29.650 30.300 -0.495 0.000 0.874 177 R HN 0.274 nan 8.270 nan 0.000 0.451 178 L N -0.344 121.061 121.223 0.304 0.000 2.275 178 L HA -0.027 4.313 4.340 -0.000 0.000 0.215 178 L C 1.417 178.376 176.870 0.149 0.000 1.119 178 L CA 0.971 55.975 54.840 0.274 0.000 0.790 178 L CB -0.385 41.791 42.059 0.195 0.000 0.919 178 L HN 0.489 nan 8.230 nan 0.000 0.443 179 G N -0.373 108.492 108.800 0.109 0.000 2.153 179 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.252 179 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.252 179 G C 0.671 175.616 174.900 0.074 0.000 0.994 179 G CA 0.684 45.830 45.100 0.077 0.000 0.698 179 G HN 0.402 nan 8.290 nan 0.000 0.521 180 M N -0.811 118.840 119.600 0.084 0.000 2.346 180 M HA 0.488 4.968 4.480 -0.000 0.000 0.280 180 M C 0.639 176.994 176.300 0.093 0.000 1.075 180 M CA 0.251 55.599 55.300 0.080 0.000 0.989 180 M CB 0.699 33.345 32.600 0.076 0.000 1.447 180 M HN 0.344 nan 8.290 nan 0.000 0.511 181 M N 0.911 120.568 119.600 0.096 0.000 2.267 181 M HA 0.363 4.843 4.480 -0.000 0.000 0.289 181 M C -2.120 174.243 176.300 0.105 0.000 1.043 181 M CA -0.435 54.933 55.300 0.114 0.000 0.928 181 M CB 2.038 34.699 32.600 0.103 0.000 1.613 181 M HN -0.188 nan 8.290 nan 0.000 0.450 182 D N 3.042 123.517 120.400 0.124 0.000 2.481 182 D HA 0.410 5.050 4.640 -0.000 0.000 0.246 182 D C -0.112 176.267 176.300 0.132 0.000 1.109 182 D CA 0.022 54.084 54.000 0.103 0.000 0.845 182 D CB 1.747 42.596 40.800 0.083 0.000 1.160 182 D HN 0.727 nan 8.370 nan 0.000 0.534 183 T N -0.378 114.243 114.554 0.111 0.000 3.252 183 T HA 0.231 4.581 4.350 -0.000 0.000 0.286 183 T C 0.866 175.618 174.700 0.086 0.000 1.013 183 T CA -0.390 61.782 62.100 0.120 0.000 0.914 183 T CB -0.274 68.661 68.868 0.111 0.000 1.131 183 T HN 0.239 nan 8.240 nan 0.000 0.529 184 S N 1.287 117.029 115.700 0.070 0.000 2.640 184 S HA 0.354 4.824 4.470 -0.000 0.000 0.262 184 S C 1.328 175.962 174.600 0.055 0.000 1.232 184 S CA -0.802 57.431 58.200 0.054 0.000 0.988 184 S CB 0.835 64.061 63.200 0.043 0.000 1.034 184 S HN 0.211 nan 8.310 nan 0.000 0.569 185 K N 0.249 120.676 120.400 0.045 0.000 2.209 185 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 185 K C 2.347 178.972 176.600 0.041 0.000 1.048 185 K CA 1.109 57.422 56.287 0.043 0.000 0.940 185 K CB -0.828 31.693 32.500 0.035 0.000 0.729 185 K HN 0.695 nan 8.250 nan 0.000 0.451 186 A N 0.883 123.727 122.820 0.039 0.000 1.978 186 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 186 A C 2.265 179.872 177.584 0.039 0.000 1.170 186 A CA 1.561 53.620 52.037 0.035 0.000 0.636 186 A CB -0.304 18.717 19.000 0.034 0.000 0.810 186 A HN 0.087 nan 8.150 nan 0.000 0.448 187 V N -0.462 119.481 119.914 0.050 0.000 2.492 187 V HA -0.117 4.003 4.120 -0.000 0.000 0.241 187 V C 2.843 178.973 176.094 0.060 0.000 1.041 187 V CA 2.016 64.348 62.300 0.054 0.000 1.057 187 V CB -0.998 30.867 31.823 0.070 0.000 0.711 187 V HN 0.765 nan 8.190 nan 0.000 0.468 188 T N -0.704 113.892 114.554 0.071 0.000 2.915 188 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 188 T C 1.914 176.651 174.700 0.063 0.000 1.071 188 T CA 1.615 63.762 62.100 0.079 0.000 1.132 188 T CB -0.472 68.448 68.868 0.087 0.000 0.878 188 T HN 0.556 nan 8.240 nan 0.000 0.479 189 S N 0.204 115.934 115.700 0.049 0.000 2.481 189 S HA 0.132 4.602 4.470 -0.000 0.000 0.231 189 S C 2.047 176.668 174.600 0.034 0.000 0.996 189 S CA 0.389 58.613 58.200 0.040 0.000 0.942 189 S CB -0.522 62.697 63.200 0.033 0.000 0.768 189 S HN 0.493 nan 8.310 nan 0.000 0.520 190 M N 0.581 120.202 119.600 0.035 0.000 2.216 190 M HA 0.300 4.780 4.480 -0.000 0.000 0.264 190 M C 1.815 178.131 176.300 0.026 0.000 1.080 190 M CA 1.450 56.766 55.300 0.026 0.000 1.153 190 M CB 0.084 32.699 32.600 0.024 0.000 1.356 190 M HN 0.520 nan 8.290 nan 0.000 0.432 191 A N -0.522 122.321 122.820 0.038 0.000 2.600 191 A HA 0.551 4.871 4.320 -0.000 0.000 0.252 191 A C 0.693 178.316 177.584 0.066 0.000 1.200 191 A CA 0.339 52.399 52.037 0.039 0.000 0.981 191 A CB -0.018 19.002 19.000 0.032 0.000 1.207 191 A HN 0.575 nan 8.150 nan 0.000 0.577 192 G N -0.900 107.947 108.800 0.077 0.000 2.757 192 G HA2 0.352 4.312 3.960 -0.000 0.000 0.638 192 G HA3 0.352 4.312 3.960 -0.000 0.000 0.638 192 G C 0.472 175.465 174.900 0.154 0.000 1.344 192 G CA -0.286 44.876 45.100 0.102 0.000 0.855 192 G HN 1.612 nan 8.290 nan 0.000 0.537 193 G N -0.883 108.024 108.800 0.177 0.000 2.368 193 G HA2 0.475 4.435 3.960 -0.000 0.000 0.233 193 G HA3 0.475 4.435 3.960 -0.000 0.000 0.233 193 G C 1.035 176.119 174.900 0.307 0.000 1.267 193 G CA 1.009 46.239 45.100 0.217 0.000 0.873 193 G HN 1.770 nan 8.290 nan 0.000 0.539 194 R N -0.716 119.906 120.500 0.204 0.000 3.946 194 R HA -0.220 4.120 4.340 -0.000 0.000 0.329 194 R C 1.035 177.505 176.300 0.284 0.000 1.209 194 R CA 0.891 57.089 56.100 0.163 0.000 0.909 194 R CB -2.421 27.849 30.300 -0.050 0.000 1.355 194 R HN 0.851 nan 8.270 nan 0.000 0.539 195 S N 0.285 116.157 115.700 0.287 0.000 2.617 195 S HA 0.570 5.040 4.470 -0.000 0.000 0.269 195 S C -0.167 174.606 174.600 0.289 0.000 1.292 195 S CA -0.437 57.917 58.200 0.257 0.000 1.010 195 S CB 1.057 64.347 63.200 0.150 0.000 0.944 195 S HN 0.352 nan 8.310 nan 0.000 0.536 196 Y N -2.004 118.352 120.300 0.093 0.000 2.597 196 Y HA 0.770 5.320 4.550 -0.000 0.000 0.340 196 Y C -1.504 174.437 175.900 0.068 0.000 1.097 196 Y CA -1.642 56.503 58.100 0.075 0.000 1.037 196 Y CB 0.627 39.130 38.460 0.072 0.000 1.305 196 Y HN 0.487 nan 8.280 nan 0.000 0.463 197 V N 3.886 123.883 119.914 0.138 0.000 2.459 197 V HA 0.489 4.609 4.120 -0.000 0.000 0.295 197 V C -0.361 175.847 176.094 0.189 0.000 1.029 197 V CA -0.790 61.555 62.300 0.075 0.000 0.874 197 V CB 1.583 33.439 31.823 0.055 0.000 0.985 197 V HN 0.749 nan 8.190 nan 0.000 0.438 198 L N 5.157 126.485 121.223 0.175 0.000 2.325 198 L HA 0.660 5.000 4.340 -0.000 0.000 0.278 198 L C -0.139 176.792 176.870 0.102 0.000 1.023 198 L CA -0.618 54.325 54.840 0.173 0.000 0.811 198 L CB 1.801 43.983 42.059 0.206 0.000 1.249 198 L HN 0.553 nan 8.230 nan 0.000 0.431 199 K N 0.752 121.205 120.400 0.088 0.000 2.444 199 K HA 0.725 5.045 4.320 -0.000 0.000 0.252 199 K C 0.167 176.801 176.600 0.057 0.000 0.993 199 K CA -0.276 56.050 56.287 0.064 0.000 0.847 199 K CB 2.202 34.737 32.500 0.058 0.000 1.340 199 K HN 0.730 nan 8.250 nan 0.000 0.446 200 G N 0.708 109.535 108.800 0.045 0.000 2.583 200 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.292 200 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.292 200 G C 0.910 175.830 174.900 0.033 0.000 1.203 200 G CA 0.273 45.395 45.100 0.036 0.000 0.987 200 G HN 0.793 nan 8.290 nan 0.000 0.554 201 G N -0.286 108.530 108.800 0.026 0.000 2.462 201 G HA2 0.077 4.037 3.960 -0.000 0.000 0.220 201 G HA3 0.077 4.037 3.960 -0.000 0.000 0.220 201 G C 1.926 176.839 174.900 0.021 0.000 1.121 201 G CA 1.475 46.584 45.100 0.016 0.000 0.758 201 G HN 0.708 nan 8.290 nan 0.000 0.559 202 L N 0.146 121.392 121.223 0.037 0.000 2.109 202 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 202 L C 2.938 179.840 176.870 0.053 0.000 1.086 202 L CA 0.289 55.156 54.840 0.045 0.000 0.760 202 L CB -0.291 41.806 42.059 0.064 0.000 0.910 202 L HN 0.095 nan 8.230 nan 0.000 0.437 203 V N -0.459 119.490 119.914 0.059 0.000 2.343 203 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 203 V C 2.398 178.522 176.094 0.049 0.000 1.051 203 V CA 1.609 63.944 62.300 0.060 0.000 1.036 203 V CB -0.594 31.263 31.823 0.057 0.000 0.654 203 V HN 0.495 nan 8.190 nan 0.000 0.451 204 Q N -0.687 119.136 119.800 0.039 0.000 2.124 204 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 204 Q C 2.283 178.304 176.000 0.034 0.000 0.977 204 Q CA 1.687 57.512 55.803 0.036 0.000 0.850 204 Q CB -0.304 28.449 28.738 0.025 0.000 0.901 204 Q HN 0.531 nan 8.270 nan 0.000 0.429 205 L N 1.002 122.237 121.223 0.021 0.000 2.056 205 L HA -0.220 4.120 4.340 -0.000 0.000 0.207 205 L C 2.431 179.313 176.870 0.020 0.000 1.078 205 L CA 1.912 56.755 54.840 0.005 0.000 0.749 205 L CB -0.681 41.371 42.059 -0.012 0.000 0.901 205 L HN 0.224 nan 8.230 nan 0.000 0.433 206 Q N -0.897 118.925 119.800 0.037 0.000 2.061 206 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 206 Q C 1.989 178.021 176.000 0.053 0.000 0.984 206 Q CA 2.637 58.469 55.803 0.049 0.000 0.846 206 Q CB -0.178 28.600 28.738 0.068 0.000 0.902 206 Q HN 0.432 nan 8.270 nan 0.000 0.421 207 V N 1.312 121.261 119.914 0.058 0.000 2.427 207 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 207 V C 2.504 178.647 176.094 0.082 0.000 1.051 207 V CA 1.599 63.940 62.300 0.068 0.000 1.048 207 V CB -1.101 30.763 31.823 0.068 0.000 0.666 207 V HN 0.536 nan 8.190 nan 0.000 0.456 208 A N -0.071 122.799 122.820 0.083 0.000 1.883 208 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 208 A C 2.230 179.823 177.584 0.015 0.000 1.186 208 A CA 1.965 54.062 52.037 0.100 0.000 0.624 208 A CB -0.571 18.479 19.000 0.085 0.000 0.822 208 A HN 0.497 nan 8.150 nan 0.000 0.444 209 L N -0.675 120.567 121.223 0.032 0.000 2.056 209 L HA -0.153 4.186 4.340 -0.000 0.000 0.207 209 L C 2.553 179.462 176.870 0.066 0.000 1.078 209 L CA 0.990 55.875 54.840 0.075 0.000 0.749 209 L CB -0.474 41.631 42.059 0.078 0.000 0.901 209 L HN 0.255 nan 8.230 nan 0.000 0.433 210 V N -1.116 118.823 119.914 0.041 0.000 2.287 210 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 210 V C 2.663 178.766 176.094 0.015 0.000 1.053 210 V CA 2.193 64.509 62.300 0.026 0.000 1.027 210 V CB -0.469 31.381 31.823 0.044 0.000 0.646 210 V HN 0.482 nan 8.190 nan 0.000 0.447 211 S N -1.441 114.277 115.700 0.030 0.000 2.371 211 S HA -0.204 4.266 4.470 -0.000 0.000 0.224 211 S C 2.026 176.573 174.600 -0.090 0.000 1.029 211 S CA 1.533 59.768 58.200 0.058 0.000 0.978 211 S CB -0.424 62.913 63.200 0.227 0.000 0.833 211 S HN 0.658 nan 8.310 nan 0.000 0.466 212 Y N 2.136 122.106 120.300 -0.550 0.000 2.181 212 Y HA -0.022 4.528 4.550 -0.000 0.000 0.288 212 Y C 2.523 178.365 175.900 -0.098 0.000 1.146 212 Y CA 1.809 59.491 58.100 -0.698 0.000 1.164 212 Y CB -0.874 37.102 38.460 -0.807 0.000 0.982 212 Y HN 0.268 nan 8.280 nan 0.000 0.515 213 S N 0.456 116.071 115.700 -0.142 0.000 2.370 213 S HA -0.201 4.269 4.470 -0.000 0.000 0.226 213 S C 1.920 176.415 174.600 -0.176 0.000 1.033 213 S CA 1.506 59.566 58.200 -0.232 0.000 1.011 213 S CB -0.783 62.263 63.200 -0.256 0.000 0.852 213 S HN 0.488 nan 8.310 nan 0.000 0.457 214 L N 2.179 123.347 121.223 -0.091 0.000 2.017 214 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 214 L C 1.588 178.457 176.870 -0.002 0.000 1.073 214 L CA 1.913 56.737 54.840 -0.027 0.000 0.745 214 L CB -0.773 41.300 42.059 0.023 0.000 0.894 214 L HN 0.086 nan 8.230 nan 0.000 0.432 215 D N -0.918 119.489 120.400 0.012 0.000 2.123 215 D HA -0.251 4.389 4.640 -0.000 0.000 0.196 215 D C 2.029 178.335 176.300 0.010 0.000 0.992 215 D CA 1.463 55.496 54.000 0.055 0.000 0.833 215 D CB -0.374 40.526 40.800 0.167 0.000 0.954 215 D HN 0.387 nan 8.370 nan 0.000 0.455 216 F N 0.862 120.659 119.950 -0.255 0.000 2.126 216 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 216 F C 2.097 177.802 175.800 -0.159 0.000 1.096 216 F CA 1.201 59.047 58.000 -0.257 0.000 1.255 216 F CB -0.042 38.731 39.000 -0.379 0.000 0.997 216 F HN -0.076 nan 8.300 nan 0.000 0.479 217 L N -1.401 119.810 121.223 -0.020 0.000 2.209 217 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 217 L C 2.284 179.182 176.870 0.047 0.000 1.094 217 L CA 0.358 55.124 54.840 -0.125 0.000 0.790 217 L CB -0.612 41.257 42.059 -0.317 0.000 0.932 217 L HN -0.056 nan 8.230 nan 0.000 0.447 218 V N 0.355 120.294 119.914 0.043 0.000 2.332 218 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 218 V C 2.384 178.502 176.094 0.041 0.000 1.055 218 V CA 1.809 64.151 62.300 0.071 0.000 1.038 218 V CB -0.527 31.333 31.823 0.061 0.000 0.651 218 V HN 0.423 nan 8.190 nan 0.000 0.450 219 K N -0.324 120.066 120.400 -0.016 0.000 2.280 219 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 219 K C 1.884 178.453 176.600 -0.051 0.000 1.047 219 K CA 1.068 57.324 56.287 -0.050 0.000 0.942 219 K CB -0.144 32.288 32.500 -0.114 0.000 0.739 219 K HN 0.401 nan 8.250 nan 0.000 0.457 220 R N -0.600 119.892 120.500 -0.015 0.000 2.427 220 R HA 0.085 4.425 4.340 -0.000 0.000 0.262 220 R C 0.470 176.841 176.300 0.117 0.000 0.943 220 R CA 0.351 56.481 56.100 0.050 0.000 1.081 220 R CB 0.912 31.260 30.300 0.081 0.000 1.166 220 R HN 0.293 nan 8.270 nan 0.000 0.534 221 G N 0.346 109.196 108.800 0.083 0.000 2.136 221 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.242 221 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.242 221 G C -0.240 174.629 174.900 -0.052 0.000 0.989 221 G CA -0.293 44.804 45.100 -0.005 0.000 0.682 221 G HN 0.324 nan 8.290 nan 0.000 0.522 222 Y N 0.703 120.979 120.300 -0.039 0.000 2.304 222 Y HA 0.494 5.044 4.550 -0.000 0.000 0.327 222 Y C 1.288 177.192 175.900 0.007 0.000 1.209 222 Y CA 0.125 58.208 58.100 -0.028 0.000 1.299 222 Y CB 1.217 39.680 38.460 0.005 0.000 1.249 222 Y HN 0.057 nan 8.280 nan 0.000 0.519 223 T N 6.024 120.665 114.554 0.146 0.000 2.728 223 T HA 0.232 4.582 4.350 -0.000 0.000 0.296 223 T C -2.502 172.381 174.700 0.306 0.000 0.940 223 T CA -1.608 60.601 62.100 0.181 0.000 1.013 223 T CB 0.654 69.615 68.868 0.154 0.000 0.912 223 T HN 0.257 nan 8.240 nan 0.000 0.484 224 P HA 0.161 nan 4.420 nan 0.000 0.265 224 P C -0.968 176.520 177.300 0.313 0.000 1.187 224 P CA -0.078 63.167 63.100 0.242 0.000 0.766 224 P CB 0.239 32.028 31.700 0.149 0.000 0.820 225 F N 4.073 124.105 119.950 0.136 0.000 2.730 225 F HA 0.355 4.882 4.527 -0.000 0.000 0.335 225 F C -1.661 174.181 175.800 0.071 0.000 1.212 225 F CA -0.920 57.115 58.000 0.060 0.000 1.016 225 F CB 0.858 39.849 39.000 -0.016 0.000 1.290 225 F HN 0.173 nan 8.300 nan 0.000 0.495 226 Y N 8.793 129.059 120.300 -0.057 0.000 2.417 226 Y HA 0.619 5.169 4.550 -0.000 0.000 0.336 226 Y C -2.506 173.358 175.900 -0.060 0.000 0.961 226 Y CA -2.457 55.652 58.100 0.015 0.000 1.215 226 Y CB 0.744 39.178 38.460 -0.043 0.000 1.120 226 Y HN 0.417 nan 8.280 nan 0.000 0.499 227 P HA 0.409 nan 4.420 nan 0.000 0.283 227 P C -2.946 174.143 177.300 -0.350 0.000 1.278 227 P CA -2.190 60.819 63.100 -0.151 0.000 0.834 227 P CB 1.081 32.843 31.700 0.104 0.000 1.150 228 P HA 0.095 nan 4.420 nan 0.000 0.269 228 P C 0.075 177.382 177.300 0.011 0.000 1.209 228 P CA 0.097 63.056 63.100 -0.234 0.000 0.776 228 P CB 0.092 31.730 31.700 -0.105 0.000 0.876 229 F N -0.057 119.694 119.950 -0.331 0.000 2.765 229 F HA 0.275 4.802 4.527 -0.000 0.000 0.302 229 F C 0.467 176.245 175.800 -0.037 0.000 1.111 229 F CA -0.254 57.639 58.000 -0.178 0.000 1.359 229 F CB -0.740 38.180 39.000 -0.133 0.000 1.097 229 F HN 0.059 nan 8.300 nan 0.000 0.577 230 F N 0.516 120.547 119.950 0.136 0.000 2.508 230 F HA 0.649 5.176 4.527 -0.000 0.000 0.325 230 F C -0.193 175.662 175.800 0.091 0.000 1.090 230 F CA -2.137 55.910 58.000 0.078 0.000 0.945 230 F CB 1.426 40.443 39.000 0.028 0.000 1.156 230 F HN -0.390 nan 8.300 nan 0.000 0.463 231 L N 2.820 124.240 121.223 0.328 0.000 2.408 231 L HA 0.439 4.779 4.340 -0.000 0.000 0.268 231 L C -0.467 176.548 176.870 0.241 0.000 0.986 231 L CA -1.118 53.870 54.840 0.246 0.000 0.820 231 L CB 1.953 44.134 42.059 0.204 0.000 1.303 231 L HN 0.467 nan 8.230 nan 0.000 0.411 232 N N 1.403 120.213 118.700 0.184 0.000 2.395 232 N HA -0.034 4.706 4.740 -0.000 0.000 0.246 232 N C 0.849 176.515 175.510 0.260 0.000 1.246 232 N CA -0.142 53.005 53.050 0.162 0.000 0.879 232 N CB 0.812 39.364 38.487 0.109 0.000 1.098 232 N HN 0.532 nan 8.380 nan 0.000 0.444 233 R N 2.090 122.772 120.500 0.303 0.000 2.112 233 R HA -0.223 4.117 4.340 -0.000 0.000 0.242 233 R C 1.298 177.721 176.300 0.206 0.000 1.137 233 R CA 2.109 58.437 56.100 0.380 0.000 0.944 233 R CB -0.916 29.562 30.300 0.297 0.000 0.857 233 R HN 0.748 nan 8.270 nan 0.000 0.435 234 D N -1.038 119.438 120.400 0.128 0.000 2.177 234 D HA -0.180 4.460 4.640 -0.000 0.000 0.189 234 D C 1.760 178.122 176.300 0.104 0.000 1.002 234 D CA 2.490 56.540 54.000 0.084 0.000 0.845 234 D CB -0.111 40.728 40.800 0.065 0.000 0.960 234 D HN 0.146 nan 8.370 nan 0.000 0.447 235 V N -0.120 119.867 119.914 0.122 0.000 2.548 235 V HA -0.159 3.961 4.120 -0.000 0.000 0.249 235 V C 2.235 178.410 176.094 0.136 0.000 1.055 235 V CA 1.546 63.915 62.300 0.115 0.000 1.065 235 V CB -0.431 31.459 31.823 0.111 0.000 0.681 235 V HN 0.313 nan 8.190 nan 0.000 0.462 236 M N 1.648 121.362 119.600 0.191 0.000 2.175 236 M HA 0.000 4.480 4.480 -0.000 0.000 0.264 236 M C 1.924 178.360 176.300 0.228 0.000 1.063 236 M CA 2.008 57.413 55.300 0.175 0.000 1.119 236 M CB -1.069 31.647 32.600 0.193 0.000 1.377 236 M HN 0.250 nan 8.290 nan 0.000 0.415 237 G N -0.749 108.247 108.800 0.327 0.000 2.470 237 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 237 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 237 G C 1.382 176.367 174.900 0.143 0.000 1.121 237 G CA 0.812 46.081 45.100 0.282 0.000 0.766 237 G HN 0.622 nan 8.290 nan 0.000 0.553 238 E N -0.457 119.803 120.200 0.100 0.000 2.299 238 E HA 0.022 4.372 4.350 -0.000 0.000 0.193 238 E C 2.354 178.989 176.600 0.058 0.000 0.998 238 E CA 0.850 57.284 56.400 0.057 0.000 0.851 238 E CB 0.277 30.007 29.700 0.049 0.000 0.795 238 E HN 0.477 nan 8.360 nan 0.000 0.492 239 V N -3.121 116.833 119.914 0.066 0.000 3.528 239 V HA 0.521 4.641 4.120 -0.000 0.000 0.294 239 V C 0.389 176.501 176.094 0.030 0.000 1.404 239 V CA -0.101 62.234 62.300 0.058 0.000 1.065 239 V CB 0.465 32.322 31.823 0.057 0.000 0.904 239 V HN 0.056 nan 8.190 nan 0.000 0.435 240 A N 0.106 122.931 122.820 0.008 0.000 2.423 240 A HA 0.789 5.109 4.320 -0.000 0.000 0.304 240 A C -0.600 177.002 177.584 0.031 0.000 1.104 240 A CA -0.768 51.233 52.037 -0.060 0.000 0.757 240 A CB 1.813 20.628 19.000 -0.307 0.000 1.313 240 A HN 0.390 nan 8.150 nan 0.000 0.423 241 Q N 0.025 119.837 119.800 0.020 0.000 2.312 241 Q HA 0.462 4.802 4.340 -0.000 0.000 0.236 241 Q C 0.574 176.664 176.000 0.150 0.000 0.965 241 Q CA -0.315 55.538 55.803 0.084 0.000 0.894 241 Q CB 0.808 29.582 28.738 0.061 0.000 1.225 241 Q HN 0.700 nan 8.270 nan 0.000 0.478 242 L N 1.138 122.474 121.223 0.187 0.000 2.129 242 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 242 L C 2.127 179.113 176.870 0.193 0.000 1.087 242 L CA 1.729 56.711 54.840 0.237 0.000 0.757 242 L CB -0.528 41.587 42.059 0.093 0.000 0.896 242 L HN 0.832 nan 8.230 nan 0.000 0.434 243 S N -1.488 114.273 115.700 0.101 0.000 2.447 243 S HA -0.176 4.294 4.470 -0.000 0.000 0.233 243 S C 1.759 176.376 174.600 0.027 0.000 1.006 243 S CA 0.555 58.791 58.200 0.060 0.000 0.957 243 S CB -0.145 63.078 63.200 0.037 0.000 0.773 243 S HN 0.486 nan 8.310 nan 0.000 0.507 244 Q N -0.250 119.538 119.800 -0.020 0.000 2.123 244 Q HA 0.040 4.380 4.340 -0.000 0.000 0.199 244 Q C 1.595 177.481 176.000 -0.190 0.000 0.966 244 Q CA 1.090 56.814 55.803 -0.131 0.000 0.845 244 Q CB -0.272 28.329 28.738 -0.228 0.000 0.907 244 Q HN 0.645 nan 8.270 nan 0.000 0.439 245 F N 1.160 121.043 119.950 -0.110 0.000 2.102 245 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 245 F C 2.080 177.848 175.800 -0.053 0.000 1.105 245 F CA 1.519 59.426 58.000 -0.154 0.000 1.239 245 F CB -0.284 38.593 39.000 -0.205 0.000 0.991 245 F HN 0.086 nan 8.300 nan 0.000 0.474 246 D N -0.432 120.064 120.400 0.160 0.000 2.117 246 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 246 D C 1.796 178.122 176.300 0.042 0.000 0.982 246 D CA 1.327 55.383 54.000 0.093 0.000 0.828 246 D CB 0.024 40.867 40.800 0.073 0.000 0.967 246 D HN 0.325 nan 8.370 nan 0.000 0.464 247 E N -1.093 119.119 120.200 0.020 0.000 2.389 247 E HA 0.078 4.428 4.350 -0.000 0.000 0.199 247 E C 1.256 177.843 176.600 -0.021 0.000 0.978 247 E CA 0.235 56.637 56.400 0.002 0.000 0.912 247 E CB 0.627 30.333 29.700 0.010 0.000 0.907 247 E HN 0.116 nan 8.360 nan 0.000 0.494 248 E N -0.278 119.896 120.200 -0.043 0.000 2.467 248 E HA 0.184 4.534 4.350 -0.000 0.000 0.213 248 E C 0.108 176.662 176.600 -0.077 0.000 0.823 248 E CA 0.163 56.535 56.400 -0.047 0.000 1.233 248 E CB 1.109 30.790 29.700 -0.033 0.000 1.233 248 E HN 0.127 nan 8.360 nan 0.000 0.585 249 L N 1.832 123.011 121.223 -0.075 0.000 2.296 249 L HA 0.370 4.710 4.340 -0.000 0.000 0.286 249 L C -0.467 176.465 176.870 0.103 0.000 1.023 249 L CA -0.886 53.969 54.840 0.026 0.000 0.812 249 L CB 0.721 42.757 42.059 -0.039 0.000 1.223 249 L HN -0.069 nan 8.230 nan 0.000 0.421 250 Y N 1.758 122.160 120.300 0.170 0.000 2.411 250 Y HA 0.135 4.685 4.550 -0.000 0.000 0.333 250 Y C 0.573 176.529 175.900 0.093 0.000 1.186 250 Y CA 0.139 58.301 58.100 0.104 0.000 1.381 250 Y CB 0.633 39.100 38.460 0.012 0.000 1.273 250 Y HN 0.507 nan 8.280 nan 0.000 0.546 251 Q N 2.251 122.126 119.800 0.125 0.000 2.271 251 Q HA 0.591 4.931 4.340 -0.000 0.000 0.258 251 Q C -1.728 174.163 176.000 -0.183 0.000 0.936 251 Q CA -0.669 55.000 55.803 -0.222 0.000 0.909 251 Q CB 1.234 29.825 28.738 -0.244 0.000 1.253 251 Q HN 0.572 nan 8.270 nan 0.000 0.440 252 V N 3.179 122.913 119.914 -0.300 0.000 2.555 252 V HA 0.590 4.710 4.120 -0.000 0.000 0.302 252 V C -0.406 175.497 176.094 -0.318 0.000 1.038 252 V CA -0.402 61.720 62.300 -0.296 0.000 0.887 252 V CB 1.643 33.211 31.823 -0.425 0.000 0.991 252 V HN 0.935 nan 8.190 nan 0.000 0.434 253 S N 2.338 117.894 115.700 -0.241 0.000 2.618 253 S HA 0.984 5.454 4.470 -0.000 0.000 0.277 253 S C 0.066 174.567 174.600 -0.165 0.000 1.138 253 S CA 0.224 58.300 58.200 -0.206 0.000 0.844 253 S CB 2.330 65.438 63.200 -0.153 0.000 1.127 253 S HN 1.610 nan 8.310 nan 0.000 0.474 254 G N 1.086 109.803 108.800 -0.138 0.000 4.278 254 G HA2 0.018 3.978 3.960 -0.000 0.000 0.160 254 G HA3 0.018 3.978 3.960 -0.000 0.000 0.160 254 G C -0.864 173.986 174.900 -0.083 0.000 2.002 254 G CA -0.062 44.982 45.100 -0.094 0.000 1.013 254 G HN 0.886 nan 8.290 nan 0.000 0.315 255 D N 1.506 121.851 120.400 -0.092 0.000 2.336 255 D HA 0.520 5.160 4.640 -0.000 0.000 0.249 255 D C 1.019 177.271 176.300 -0.080 0.000 1.213 255 D CA 2.018 55.978 54.000 -0.067 0.000 0.870 255 D CB 0.416 41.191 40.800 -0.042 0.000 1.076 255 D HN 1.339 nan 8.370 nan 0.000 0.483 256 G N 4.122 112.888 108.800 -0.056 0.000 2.498 256 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.245 256 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.245 256 G C -0.377 174.485 174.900 -0.063 0.000 1.204 256 G CA 0.020 45.090 45.100 -0.049 0.000 0.933 256 G HN 0.739 nan 8.290 nan 0.000 0.574 257 D N 0.890 121.254 120.400 -0.060 0.000 2.388 257 D HA 0.531 5.171 4.640 -0.000 0.000 0.254 257 D C 0.748 176.983 176.300 -0.108 0.000 1.111 257 D CA -0.221 53.740 54.000 -0.065 0.000 0.993 257 D CB 0.511 41.291 40.800 -0.034 0.000 1.118 257 D HN 0.927 nan 8.370 nan 0.000 0.502 258 K N -0.236 120.094 120.400 -0.116 0.000 2.436 258 K HA 0.246 4.566 4.320 -0.000 0.000 0.275 258 K C -0.391 176.084 176.600 -0.209 0.000 0.999 258 K CA -0.203 55.968 56.287 -0.193 0.000 0.980 258 K CB 0.535 32.914 32.500 -0.202 0.000 0.919 258 K HN 0.381 nan 8.250 nan 0.000 0.484 259 K N 1.616 121.818 120.400 -0.330 0.000 2.433 259 K HA 0.370 4.689 4.320 -0.000 0.000 0.252 259 K C -1.365 174.992 176.600 -0.407 0.000 1.015 259 K CA -0.936 55.206 56.287 -0.242 0.000 0.860 259 K CB 1.317 33.646 32.500 -0.286 0.000 1.359 259 K HN 0.419 nan 8.250 nan 0.000 0.452 260 Y N 0.493 120.829 120.300 0.060 0.000 2.446 260 Y HA 0.367 4.917 4.550 -0.000 0.000 0.345 260 Y C -0.132 175.845 175.900 0.129 0.000 0.984 260 Y CA -0.946 57.213 58.100 0.097 0.000 1.058 260 Y CB 1.268 39.802 38.460 0.123 0.000 1.220 260 Y HN 0.214 nan 8.280 nan 0.000 0.455 261 L N 4.676 126.051 121.223 0.254 0.000 2.426 261 L HA 0.283 4.623 4.340 -0.000 0.000 0.271 261 L C 0.271 177.289 176.870 0.246 0.000 1.169 261 L CA -0.450 54.512 54.840 0.203 0.000 0.836 261 L CB 0.438 42.467 42.059 -0.050 0.000 1.112 261 L HN 0.571 nan 8.230 nan 0.000 0.465 262 I N -0.080 120.630 120.570 0.233 0.000 2.575 262 I HA 0.303 4.473 4.170 -0.000 0.000 0.285 262 I C 0.864 177.053 176.117 0.121 0.000 1.085 262 I CA -0.222 61.162 61.300 0.140 0.000 1.403 262 I CB 1.229 39.272 38.000 0.072 0.000 1.409 262 I HN 0.682 nan 8.210 nan 0.000 0.557 263 A N 3.874 126.720 122.820 0.044 0.000 2.267 263 A HA 0.286 4.606 4.320 -0.000 0.000 0.213 263 A C 0.910 178.463 177.584 -0.052 0.000 1.192 263 A CA 0.757 52.803 52.037 0.015 0.000 0.851 263 A CB -0.025 19.001 19.000 0.043 0.000 0.881 263 A HN 0.895 nan 8.150 nan 0.000 0.494 264 T N -2.222 112.295 114.554 -0.063 0.000 2.977 264 T HA 0.288 4.638 4.350 -0.000 0.000 0.345 264 T C 0.781 175.437 174.700 -0.075 0.000 1.562 264 T CA 0.390 62.450 62.100 -0.067 0.000 1.090 264 T CB 0.867 69.733 68.868 -0.004 0.000 1.383 264 T HN 0.487 nan 8.240 nan 0.000 0.484 265 S N 1.894 117.540 115.700 -0.090 0.000 2.474 265 S HA -0.073 4.397 4.470 -0.000 0.000 0.235 265 S C 1.573 176.102 174.600 -0.119 0.000 0.997 265 S CA 1.156 59.297 58.200 -0.098 0.000 0.949 265 S CB -0.357 62.793 63.200 -0.083 0.000 0.766 265 S HN 0.778 nan 8.310 nan 0.000 0.517 266 E N 1.743 121.927 120.200 -0.027 0.000 2.171 266 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 266 E C 1.760 178.344 176.600 -0.027 0.000 0.997 266 E CA 1.401 57.836 56.400 0.058 0.000 0.810 266 E CB -0.335 29.475 29.700 0.183 0.000 0.738 266 E HN 0.676 nan 8.360 nan 0.000 0.467 267 M N 0.580 120.162 119.600 -0.029 0.000 2.062 267 M HA -0.099 4.381 4.480 -0.000 0.000 0.259 267 M C -0.595 175.677 176.300 -0.046 0.000 1.076 267 M CA 2.277 57.567 55.300 -0.017 0.000 1.122 267 M CB -1.150 31.445 32.600 -0.008 0.000 1.312 267 M HN 0.060 nan 8.290 nan 0.000 0.412 268 P HA -0.083 nan 4.420 nan 0.000 0.221 268 P C 1.382 178.585 177.300 -0.160 0.000 1.150 268 P CA 1.428 64.508 63.100 -0.033 0.000 0.800 268 P CB -0.257 31.456 31.700 0.021 0.000 0.787 269 I N 0.257 120.553 120.570 -0.457 0.000 2.202 269 I HA -0.198 3.971 4.170 -0.000 0.000 0.242 269 I C 2.657 178.441 176.117 -0.555 0.000 1.091 269 I CA 1.368 62.123 61.300 -0.908 0.000 1.368 269 I CB -0.962 36.147 38.000 -1.484 0.000 1.058 269 I HN -0.094 nan 8.210 nan 0.000 0.410 270 A N 0.982 123.523 122.820 -0.465 0.000 1.873 270 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 270 A C 2.543 180.189 177.584 0.103 0.000 1.193 270 A CA 2.235 54.251 52.037 -0.035 0.000 0.629 270 A CB -1.043 18.035 19.000 0.131 0.000 0.826 270 A HN 0.445 nan 8.150 nan 0.000 0.447 271 A N -1.975 120.882 122.820 0.062 0.000 1.972 271 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 271 A C 2.108 179.771 177.584 0.131 0.000 1.169 271 A CA 1.696 53.792 52.037 0.099 0.000 0.635 271 A CB -0.774 18.280 19.000 0.090 0.000 0.810 271 A HN 0.761 nan 8.150 nan 0.000 0.446 272 Y N 0.321 120.607 120.300 -0.023 0.000 2.421 272 Y HA -0.182 4.368 4.550 -0.000 0.000 0.292 272 Y C 1.747 177.558 175.900 -0.147 0.000 1.136 272 Y CA 1.914 59.972 58.100 -0.069 0.000 1.255 272 Y CB -0.353 38.056 38.460 -0.085 0.000 0.991 272 Y HN 0.550 nan 8.280 nan 0.000 0.552 273 H N 0.232 119.338 119.070 0.060 0.000 2.533 273 H HA 0.149 4.705 4.556 -0.000 0.000 0.271 273 H C 0.364 175.737 175.328 0.076 0.000 1.000 273 H CA -0.013 56.094 56.048 0.098 0.000 1.149 273 H CB -0.173 29.729 29.762 0.233 0.000 1.375 273 H HN 0.204 nan 8.280 nan 0.000 0.582 274 R N 0.252 120.812 120.500 0.100 0.000 2.537 274 R HA 0.246 4.586 4.340 -0.000 0.000 0.280 274 R C 0.721 177.049 176.300 0.047 0.000 1.058 274 R CA 0.643 56.794 56.100 0.086 0.000 1.057 274 R CB 0.346 30.688 30.300 0.069 0.000 0.973 274 R HN 0.293 nan 8.270 nan 0.000 0.438 275 G N 2.215 111.054 108.800 0.065 0.000 2.189 275 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.267 275 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.267 275 G C 0.189 175.113 174.900 0.041 0.000 0.975 275 G CA 0.422 45.554 45.100 0.053 0.000 0.644 275 G HN 0.688 nan 8.290 nan 0.000 0.537 276 R N -1.216 119.298 120.500 0.023 0.000 2.707 276 R HA 0.451 4.791 4.340 -0.000 0.000 0.270 276 R C -0.431 175.833 176.300 -0.060 0.000 1.083 276 R CA -0.023 56.024 56.100 -0.089 0.000 1.182 276 R CB 0.606 30.815 30.300 -0.152 0.000 1.084 276 R HN 0.238 nan 8.270 nan 0.000 0.528 277 W N 2.578 123.605 121.300 -0.455 0.000 2.835 277 W HA 0.291 4.951 4.660 -0.000 0.000 0.326 277 W C -2.088 174.148 176.519 -0.471 0.000 1.024 277 W CA -1.415 55.750 57.345 -0.300 0.000 1.267 277 W CB 0.741 30.091 29.460 -0.183 0.000 1.267 277 W HN 0.400 nan 8.180 nan 0.000 0.412 278 F N 4.042 124.204 119.950 0.352 0.000 2.385 278 F HA 0.199 4.725 4.527 -0.000 0.000 0.360 278 F C 1.848 177.682 175.800 0.055 0.000 1.122 278 F CA -0.108 58.014 58.000 0.204 0.000 1.090 278 F CB 1.455 40.589 39.000 0.224 0.000 1.150 278 F HN 0.239 nan 8.300 nan 0.000 0.472 279 T N -1.373 113.246 114.554 0.109 0.000 2.896 279 T HA 0.022 4.372 4.350 -0.000 0.000 0.263 279 T C 0.438 174.960 174.700 -0.296 0.000 1.050 279 T CA 0.643 62.694 62.100 -0.082 0.000 1.140 279 T CB 0.099 68.918 68.868 -0.082 0.000 0.877 279 T HN 0.547 nan 8.240 nan 0.000 0.457 280 E N -0.437 119.703 120.200 -0.101 0.000 2.331 280 E HA 0.562 4.912 4.350 -0.000 0.000 0.275 280 E C -1.763 174.931 176.600 0.156 0.000 0.895 280 E CA -0.721 55.662 56.400 -0.029 0.000 0.753 280 E CB 1.933 31.646 29.700 0.022 0.000 1.216 280 E HN 0.228 nan 8.360 nan 0.000 0.434 281 L N 5.053 126.448 121.223 0.286 0.000 2.556 281 L HA 0.327 4.667 4.340 -0.000 0.000 0.243 281 L C 0.979 177.920 176.870 0.120 0.000 1.331 281 L CA -0.298 54.654 54.840 0.186 0.000 0.927 281 L CB 0.550 42.721 42.059 0.186 0.000 1.219 281 L HN 0.536 nan 8.230 nan 0.000 0.490 282 K N 0.025 120.479 120.400 0.090 0.000 2.063 282 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 282 K C 0.382 177.004 176.600 0.038 0.000 1.048 282 K CA 1.044 57.370 56.287 0.064 0.000 0.928 282 K CB 0.246 32.775 32.500 0.049 0.000 0.713 282 K HN 0.379 nan 8.250 nan 0.000 0.442 283 E N 0.754 120.961 120.200 0.012 0.000 2.191 283 E HA 0.248 4.598 4.350 -0.000 0.000 0.274 283 E C -2.387 174.166 176.600 -0.077 0.000 0.948 283 E CA -2.384 54.001 56.400 -0.026 0.000 0.802 283 E CB 1.456 31.130 29.700 -0.044 0.000 1.137 283 E HN 0.039 nan 8.360 nan 0.000 0.397 284 P HA 0.181 nan 4.420 nan 0.000 0.274 284 P C -0.265 176.854 177.300 -0.302 0.000 1.246 284 P CA -0.307 62.637 63.100 -0.259 0.000 0.795 284 P CB 0.813 32.221 31.700 -0.486 0.000 1.006 285 L N 1.782 122.805 121.223 -0.334 0.000 2.281 285 L HA 0.332 4.672 4.340 -0.000 0.000 0.285 285 L C 0.906 177.463 176.870 -0.521 0.000 1.074 285 L CA -0.032 54.559 54.840 -0.415 0.000 0.817 285 L CB 0.069 41.947 42.059 -0.301 0.000 1.168 285 L HN 0.219 nan 8.230 nan 0.000 0.434 286 K N 4.288 124.298 120.400 -0.651 0.000 2.413 286 K HA 0.512 4.832 4.320 -0.000 0.000 0.257 286 K C -1.572 174.747 176.600 -0.468 0.000 0.946 286 K CA -0.707 55.226 56.287 -0.591 0.000 0.823 286 K CB 1.977 33.953 32.500 -0.874 0.000 1.109 286 K HN 0.262 nan 8.250 nan 0.000 0.427 287 Y N 0.131 120.545 120.300 0.191 0.000 2.393 287 Y HA 0.430 4.980 4.550 -0.000 0.000 0.341 287 Y C 0.061 176.176 175.900 0.359 0.000 0.988 287 Y CA -1.105 57.152 58.100 0.262 0.000 1.078 287 Y CB 2.071 40.605 38.460 0.123 0.000 1.203 287 Y HN 0.596 nan 8.280 nan 0.000 0.453 288 A N 2.323 125.409 122.820 0.444 0.000 2.444 288 A HA 0.595 4.915 4.320 -0.000 0.000 0.332 288 A C 0.475 178.187 177.584 0.213 0.000 1.430 288 A CA -0.374 51.799 52.037 0.227 0.000 0.975 288 A CB -0.688 18.389 19.000 0.128 0.000 1.147 288 A HN 0.914 nan 8.150 nan 0.000 0.524 289 G N 2.706 111.598 108.800 0.153 0.000 2.378 289 G HA2 0.500 4.460 3.960 -0.000 0.000 0.255 289 G HA3 0.500 4.460 3.960 -0.000 0.000 0.255 289 G C -0.101 174.854 174.900 0.092 0.000 1.270 289 G CA -0.246 44.921 45.100 0.112 0.000 0.876 289 G HN 0.557 nan 8.290 nan 0.000 0.521 290 M N 2.599 122.289 119.600 0.150 0.000 2.093 290 M HA 0.445 4.925 4.480 -0.000 0.000 0.297 290 M C -0.230 176.170 176.300 0.168 0.000 0.938 290 M CA -0.715 54.676 55.300 0.153 0.000 0.920 290 M CB 1.016 33.754 32.600 0.231 0.000 1.517 290 M HN 0.684 nan 8.290 nan 0.000 0.427 291 S N 1.377 117.087 115.700 0.016 0.000 2.587 291 S HA 0.632 5.102 4.470 -0.000 0.000 0.269 291 S C -0.698 173.661 174.600 -0.403 0.000 1.154 291 S CA -0.716 57.379 58.200 -0.175 0.000 0.824 291 S CB 1.752 64.731 63.200 -0.369 0.000 1.118 291 S HN 0.513 nan 8.310 nan 0.000 0.462 292 T N 1.750 115.823 114.554 -0.802 0.000 2.869 292 T HA 0.532 4.881 4.350 -0.000 0.000 0.295 292 T C -0.241 173.780 174.700 -1.131 0.000 0.987 292 T CA -0.178 61.409 62.100 -0.854 0.000 1.109 292 T CB -0.068 68.404 68.868 -0.661 0.000 0.932 292 T HN 0.782 nan 8.240 nan 0.000 0.518 293 C N 3.108 121.685 119.300 -1.206 0.000 2.435 293 C HA 0.760 5.220 4.460 -0.000 0.000 0.333 293 C C -0.637 173.566 174.990 -1.312 0.000 1.202 293 C CA -0.956 57.394 59.018 -1.114 0.000 1.830 293 C CB 0.006 27.040 27.740 -1.177 0.000 2.326 293 C HN 0.846 nan 8.230 nan 0.000 0.507 294 F N 1.562 121.318 119.950 -0.324 0.000 2.536 294 F HA 0.609 5.136 4.527 -0.000 0.000 0.322 294 F C 0.376 176.293 175.800 0.195 0.000 1.144 294 F CA -0.624 57.373 58.000 -0.007 0.000 0.924 294 F CB 1.070 40.109 39.000 0.066 0.000 1.181 294 F HN 0.327 nan 8.300 nan 0.000 0.438 295 R N 2.489 123.287 120.500 0.496 0.000 2.532 295 R HA 0.349 4.689 4.340 -0.000 0.000 0.297 295 R C 0.565 177.105 176.300 0.400 0.000 0.984 295 R CA -0.887 55.437 56.100 0.373 0.000 0.884 295 R CB 2.373 32.880 30.300 0.345 0.000 1.182 295 R HN 0.645 nan 8.270 nan 0.000 0.442 296 K N 1.394 121.786 120.400 -0.014 0.000 2.211 296 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 296 K C -0.354 176.335 176.600 0.149 0.000 1.050 296 K CA 0.854 57.002 56.287 -0.232 0.000 0.945 296 K CB 0.173 32.393 32.500 -0.467 0.000 0.732 296 K HN 0.609 nan 8.250 nan 0.000 0.451 297 E N -0.397 119.889 120.200 0.144 0.000 2.260 297 E HA -0.198 4.152 4.350 -0.000 0.000 0.204 297 E C -0.851 175.807 176.600 0.096 0.000 1.319 297 E CA 0.537 57.016 56.400 0.132 0.000 0.679 297 E CB -1.341 28.451 29.700 0.152 0.000 1.158 297 E HN 0.420 nan 8.360 nan 0.000 0.376 307 G N 0.907 109.739 108.800 0.054 0.000 2.564 307 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.273 307 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.273 307 G C 0.475 175.401 174.900 0.043 0.000 1.242 307 G CA 0.660 45.811 45.100 0.085 0.000 0.951 307 G HN 1.662 nan 8.290 nan 0.000 0.564 308 I N -2.851 117.729 120.570 0.017 0.000 3.927 308 I HA 0.588 4.758 4.170 -0.000 0.000 0.332 308 I C 1.696 177.709 176.117 -0.173 0.000 1.485 308 I CA 0.176 61.344 61.300 -0.221 0.000 1.131 308 I CB -0.036 37.659 38.000 -0.508 0.000 1.092 308 I HN 0.362 nan 8.210 nan 0.000 0.410 309 F N 2.615 122.477 119.950 -0.147 0.000 2.113 309 F HA 0.135 4.662 4.527 -0.000 0.000 0.297 309 F C 1.240 176.898 175.800 -0.238 0.000 1.103 309 F CA 1.243 59.109 58.000 -0.223 0.000 1.248 309 F CB 0.311 39.174 39.000 -0.229 0.000 0.999 309 F HN -0.006 nan 8.300 nan 0.000 0.475 310 R N 0.581 121.055 120.500 -0.044 0.000 2.352 310 R HA 0.436 4.776 4.340 -0.000 0.000 0.304 310 R C -1.385 174.833 176.300 -0.137 0.000 1.104 310 R CA -0.472 55.551 56.100 -0.129 0.000 0.991 310 R CB 1.638 31.944 30.300 0.009 0.000 1.140 310 R HN 0.031 nan 8.270 nan 0.000 0.540 311 V N -1.777 118.044 119.914 -0.155 0.000 3.102 311 V HA 0.382 4.502 4.120 -0.000 0.000 0.312 311 V C 0.931 177.094 176.094 0.116 0.000 1.135 311 V CA -0.912 61.367 62.300 -0.036 0.000 1.022 311 V CB 2.089 33.955 31.823 0.072 0.000 1.056 311 V HN 0.642 nan 8.190 nan 0.000 0.436 312 H N 0.164 119.436 119.070 0.336 0.000 2.462 312 H HA 0.111 4.667 4.556 -0.000 0.000 0.292 312 H C 0.708 176.239 175.328 0.338 0.000 1.049 312 H CA 1.598 57.876 56.048 0.384 0.000 1.334 312 H CB 0.562 30.565 29.762 0.400 0.000 1.404 312 H HN 0.755 nan 8.280 nan 0.000 0.544 313 Q N 0.158 120.195 119.800 0.394 0.000 2.321 313 Q HA 0.431 4.771 4.340 -0.000 0.000 0.270 313 Q C -1.702 174.398 176.000 0.166 0.000 1.032 313 Q CA -0.768 55.032 55.803 -0.005 0.000 0.784 313 Q CB 1.460 30.189 28.738 -0.014 0.000 1.264 313 Q HN 0.090 nan 8.270 nan 0.000 0.448 314 F N -0.107 119.717 119.950 -0.209 0.000 2.703 314 F HA 0.466 4.993 4.527 -0.000 0.000 0.308 314 F C -1.310 174.366 175.800 -0.207 0.000 1.126 314 F CA -1.272 56.657 58.000 -0.117 0.000 0.959 314 F CB 0.845 39.781 39.000 -0.107 0.000 1.297 314 F HN 0.242 nan 8.300 nan 0.000 0.441 315 D N 1.991 122.399 120.400 0.013 0.000 2.302 315 D HA 0.394 5.034 4.640 -0.000 0.000 0.248 315 D C -0.847 175.473 176.300 0.032 0.000 1.094 315 D CA -0.034 53.933 54.000 -0.055 0.000 0.897 315 D CB 2.051 42.854 40.800 0.005 0.000 1.200 315 D HN 0.700 nan 8.370 nan 0.000 0.429 316 K N 1.501 121.873 120.400 -0.047 0.000 2.527 316 K HA 0.438 4.757 4.320 -0.000 0.000 0.260 316 K C -1.534 175.036 176.600 -0.050 0.000 0.937 316 K CA -0.658 55.622 56.287 -0.011 0.000 0.826 316 K CB 1.578 34.100 32.500 0.037 0.000 1.359 316 K HN 0.234 nan 8.250 nan 0.000 0.434 317 I N 3.443 123.966 120.570 -0.079 0.000 2.378 317 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 317 I C -0.317 175.727 176.117 -0.122 0.000 0.992 317 I CA -0.519 60.719 61.300 -0.103 0.000 1.154 317 I CB 1.570 39.467 38.000 -0.171 0.000 1.315 317 I HN 0.699 nan 8.210 nan 0.000 0.448 318 E N 5.199 125.357 120.200 -0.069 0.000 2.299 318 E HA 0.459 4.809 4.350 -0.000 0.000 0.265 318 E C -1.016 175.578 176.600 -0.010 0.000 0.911 318 E CA -0.862 55.513 56.400 -0.042 0.000 0.789 318 E CB 2.670 32.380 29.700 0.016 0.000 1.246 318 E HN 0.474 nan 8.360 nan 0.000 0.427 319 Q N 1.157 120.958 119.800 0.001 0.000 2.271 319 Q HA 0.500 4.840 4.340 -0.000 0.000 0.258 319 Q C -1.262 174.868 176.000 0.218 0.000 0.936 319 Q CA -0.423 55.439 55.803 0.100 0.000 0.909 319 Q CB 1.526 30.289 28.738 0.041 0.000 1.253 319 Q HN 0.327 nan 8.270 nan 0.000 0.440 320 F N 2.021 122.069 119.950 0.164 0.000 2.557 320 F HA 0.485 5.011 4.527 -0.000 0.000 0.316 320 F C -1.516 174.339 175.800 0.091 0.000 1.141 320 F CA -0.770 57.286 58.000 0.093 0.000 0.922 320 F CB 1.405 40.436 39.000 0.051 0.000 1.194 320 F HN 0.265 nan 8.300 nan 0.000 0.443 321 V N 6.170 125.958 119.914 -0.210 0.000 2.588 321 V HA 0.578 4.698 4.120 -0.000 0.000 0.304 321 V C -0.987 174.955 176.094 -0.253 0.000 1.042 321 V CA -0.875 61.300 62.300 -0.209 0.000 0.877 321 V CB 1.892 33.528 31.823 -0.312 0.000 0.996 321 V HN 0.533 nan 8.190 nan 0.000 0.425 322 V N 4.327 124.148 119.914 -0.155 0.000 2.384 322 V HA 0.636 4.756 4.120 -0.000 0.000 0.287 322 V C 0.033 175.999 176.094 -0.213 0.000 1.020 322 V CA -0.416 61.790 62.300 -0.156 0.000 0.850 322 V CB 1.289 33.012 31.823 -0.166 0.000 0.987 322 V HN 1.154 nan 8.190 nan 0.000 0.436 323 C N 1.954 121.156 119.300 -0.162 0.000 3.213 323 C HA 0.835 5.295 4.460 -0.000 0.000 0.319 323 C C 0.459 175.338 174.990 -0.185 0.000 1.386 323 C CA -0.915 58.010 59.018 -0.155 0.000 1.494 323 C CB 1.455 29.117 27.740 -0.131 0.000 1.905 323 C HN 0.783 nan 8.230 nan 0.000 0.456 324 S N 1.993 117.553 115.700 -0.233 0.000 2.552 324 S HA 0.284 4.754 4.470 -0.000 0.000 0.289 324 S C -0.973 173.218 174.600 -0.682 0.000 1.304 324 S CA -0.228 57.608 58.200 -0.606 0.000 1.063 324 S CB 0.500 63.500 63.200 -0.334 0.000 0.848 324 S HN 0.775 nan 8.310 nan 0.000 0.499 325 P HA 0.069 nan 4.420 nan 0.000 0.245 325 P C -0.188 176.751 177.300 -0.602 0.000 1.212 325 P CA 0.274 62.682 63.100 -1.154 0.000 0.774 325 P CB 0.150 31.401 31.700 -0.747 0.000 0.999 326 R N 0.109 120.372 120.500 -0.395 0.000 2.598 326 R HA 0.298 4.638 4.340 -0.000 0.000 0.279 326 R C 0.508 176.761 176.300 -0.078 0.000 0.984 326 R CA -0.679 55.325 56.100 -0.159 0.000 0.999 326 R CB 0.482 30.733 30.300 -0.080 0.000 1.114 326 R HN -0.151 nan 8.270 nan 0.000 0.493 327 Q N 1.637 121.432 119.800 -0.009 0.000 2.480 327 Q HA -0.230 4.110 4.340 -0.000 0.000 0.265 327 Q C -0.612 175.420 176.000 0.054 0.000 1.072 327 Q CA 1.275 57.092 55.803 0.023 0.000 1.018 327 Q CB -1.349 27.397 28.738 0.012 0.000 1.433 327 Q HN 0.923 nan 8.270 nan 0.000 0.513 328 E N -1.577 118.686 120.200 0.105 0.000 2.722 328 E HA -0.301 4.049 4.350 -0.000 0.000 0.265 328 E C 0.855 177.541 176.600 0.143 0.000 1.081 328 E CA 1.207 57.763 56.400 0.259 0.000 0.781 328 E CB -1.253 28.631 29.700 0.307 0.000 1.372 328 E HN 0.796 nan 8.360 nan 0.000 0.423 329 E N 1.032 121.233 120.200 0.002 0.000 2.118 329 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 329 E C 1.927 178.458 176.600 -0.116 0.000 0.992 329 E CA 1.697 58.049 56.400 -0.079 0.000 0.804 329 E CB 0.027 29.687 29.700 -0.067 0.000 0.741 329 E HN 0.409 nan 8.360 nan 0.000 0.458 330 S N -0.550 115.089 115.700 -0.103 0.000 2.419 330 S HA -0.164 4.306 4.470 -0.000 0.000 0.233 330 S C 1.594 175.946 174.600 -0.413 0.000 1.016 330 S CA 0.890 58.970 58.200 -0.199 0.000 0.974 330 S CB -0.838 62.234 63.200 -0.213 0.000 0.786 330 S HN 0.481 nan 8.310 nan 0.000 0.492 331 W N 1.996 123.289 121.300 -0.011 0.000 2.388 331 W HA 0.167 4.827 4.660 -0.000 0.000 0.294 331 W C 2.919 179.396 176.519 -0.071 0.000 1.212 331 W CA 0.551 57.856 57.345 -0.067 0.000 1.271 331 W CB -0.247 29.168 29.460 -0.074 0.000 1.126 331 W HN 0.250 nan 8.180 nan 0.000 0.535 332 R N -0.146 120.368 120.500 0.022 0.000 2.083 332 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 332 R C 2.101 178.305 176.300 -0.161 0.000 1.137 332 R CA 1.915 57.953 56.100 -0.104 0.000 0.951 332 R CB -0.684 29.481 30.300 -0.224 0.000 0.851 332 R HN 0.211 nan 8.270 nan 0.000 0.434 333 H N 0.255 119.304 119.070 -0.035 0.000 2.387 333 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 333 H C 2.046 177.354 175.328 -0.034 0.000 1.090 333 H CA 1.463 57.477 56.048 -0.057 0.000 1.332 333 H CB -0.270 29.423 29.762 -0.114 0.000 1.386 333 H HN 0.213 nan 8.280 nan 0.000 0.516 334 L N 1.572 122.824 121.223 0.048 0.000 2.012 334 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 334 L C 2.180 179.146 176.870 0.160 0.000 1.073 334 L CA 1.693 56.581 54.840 0.079 0.000 0.748 334 L CB -0.327 41.770 42.059 0.062 0.000 0.891 334 L HN 0.019 nan 8.230 nan 0.000 0.431 335 E N -0.012 120.278 120.200 0.150 0.000 2.085 335 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 335 E C 1.965 178.599 176.600 0.056 0.000 0.994 335 E CA 1.526 57.987 56.400 0.103 0.000 0.801 335 E CB -0.516 29.235 29.700 0.085 0.000 0.743 335 E HN 0.589 nan 8.360 nan 0.000 0.453 336 D N 0.056 120.497 120.400 0.068 0.000 2.144 336 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 336 D C 2.057 178.416 176.300 0.098 0.000 0.978 336 D CA 0.840 54.887 54.000 0.080 0.000 0.833 336 D CB -0.202 40.663 40.800 0.108 0.000 0.961 336 D HN 0.200 nan 8.370 nan 0.000 0.470 337 M N -0.249 119.416 119.600 0.108 0.000 2.099 337 M HA -0.106 4.373 4.480 -0.000 0.000 0.262 337 M C 2.139 178.471 176.300 0.054 0.000 1.067 337 M CA 0.772 56.133 55.300 0.102 0.000 1.124 337 M CB -0.084 32.569 32.600 0.089 0.000 1.353 337 M HN -0.026 nan 8.290 nan 0.000 0.410 338 I N 0.250 120.844 120.570 0.039 0.000 2.394 338 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 338 I C 2.122 178.210 176.117 -0.049 0.000 1.136 338 I CA 1.742 63.026 61.300 -0.026 0.000 1.425 338 I CB -0.416 37.508 38.000 -0.127 0.000 1.079 338 I HN 0.206 nan 8.210 nan 0.000 0.425 339 T N -0.204 114.339 114.554 -0.018 0.000 2.821 339 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 339 T C 1.787 176.518 174.700 0.052 0.000 1.046 339 T CA 1.952 64.055 62.100 0.005 0.000 1.139 339 T CB -0.397 68.481 68.868 0.017 0.000 0.871 339 T HN 0.389 nan 8.240 nan 0.000 0.454 340 T N 1.822 116.426 114.554 0.084 0.000 2.720 340 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 340 T C 2.388 177.188 174.700 0.167 0.000 1.037 340 T CA 1.466 63.664 62.100 0.163 0.000 1.144 340 T CB -0.405 68.547 68.868 0.141 0.000 0.864 340 T HN 0.300 nan 8.240 nan 0.000 0.444 341 S N 0.957 116.676 115.700 0.031 0.000 2.382 341 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 341 S C 2.072 176.628 174.600 -0.072 0.000 1.027 341 S CA 0.954 59.130 58.200 -0.040 0.000 0.991 341 S CB -0.244 62.903 63.200 -0.088 0.000 0.823 341 S HN 0.567 nan 8.310 nan 0.000 0.469 342 E N 0.738 120.866 120.200 -0.121 0.000 2.051 342 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 342 E C 2.165 178.714 176.600 -0.085 0.000 0.991 342 E CA 0.895 57.160 56.400 -0.225 0.000 0.799 342 E CB -0.055 29.598 29.700 -0.079 0.000 0.748 342 E HN 0.358 nan 8.360 nan 0.000 0.449 343 E N 0.331 120.562 120.200 0.052 0.000 2.110 343 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 343 E C 1.842 178.521 176.600 0.132 0.000 0.988 343 E CA 0.617 57.100 56.400 0.138 0.000 0.804 343 E CB -0.344 29.514 29.700 0.264 0.000 0.745 343 E HN 0.223 nan 8.360 nan 0.000 0.458 344 F N 2.750 122.600 119.950 -0.167 0.000 2.069 344 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 344 F C 1.918 177.549 175.800 -0.281 0.000 1.113 344 F CA 1.588 59.200 58.000 -0.646 0.000 1.214 344 F CB -0.276 38.248 39.000 -0.793 0.000 0.978 344 F HN -0.018 nan 8.300 nan 0.000 0.474 345 N N 0.486 119.080 118.700 -0.177 0.000 2.188 345 N HA -0.156 4.584 4.740 -0.000 0.000 0.184 345 N C 1.792 177.266 175.510 -0.061 0.000 1.018 345 N CA 1.267 54.234 53.050 -0.138 0.000 0.858 345 N CB -0.258 38.185 38.487 -0.073 0.000 0.989 345 N HN 0.422 nan 8.380 nan 0.000 0.426 346 K N 0.965 121.277 120.400 -0.146 0.000 2.063 346 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 346 K C 2.318 178.874 176.600 -0.075 0.000 1.048 346 K CA 1.573 57.680 56.287 -0.299 0.000 0.928 346 K CB -0.214 31.972 32.500 -0.523 0.000 0.713 346 K HN 0.205 nan 8.250 nan 0.000 0.442 347 S N 1.221 116.871 115.700 -0.084 0.000 2.399 347 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 347 S C 1.856 176.386 174.600 -0.115 0.000 1.022 347 S CA 0.935 59.115 58.200 -0.033 0.000 0.983 347 S CB -0.375 62.873 63.200 0.079 0.000 0.803 347 S HN 0.234 nan 8.310 nan 0.000 0.480 348 L N 0.874 121.973 121.223 -0.206 0.000 2.558 348 L HA 0.288 4.628 4.340 -0.000 0.000 0.225 348 L C 1.753 178.668 176.870 0.074 0.000 1.128 348 L CA 0.334 55.062 54.840 -0.188 0.000 0.868 348 L CB -0.718 41.151 42.059 -0.316 0.000 1.006 348 L HN 0.615 nan 8.230 nan 0.000 0.454 349 G N 1.099 109.996 108.800 0.162 0.000 2.176 349 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.252 349 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.252 349 G C -0.017 175.069 174.900 0.310 0.000 1.024 349 G CA -0.137 45.138 45.100 0.292 0.000 0.755 349 G HN 0.244 nan 8.290 nan 0.000 0.507 350 L N 0.936 122.357 121.223 0.331 0.000 2.282 350 L HA 0.480 4.820 4.340 -0.000 0.000 0.288 350 L C -1.805 175.359 176.870 0.489 0.000 1.033 350 L CA -2.398 52.630 54.840 0.314 0.000 0.807 350 L CB 1.621 43.817 42.059 0.228 0.000 1.209 350 L HN -0.081 nan 8.230 nan 0.000 0.423 351 P HA 0.305 nan 4.420 nan 0.000 0.277 351 P C -1.516 176.080 177.300 0.493 0.000 1.240 351 P CA -0.114 63.161 63.100 0.291 0.000 0.798 351 P CB 0.746 32.519 31.700 0.121 0.000 0.979 352 Y N -1.537 119.024 120.300 0.434 0.000 2.750 352 Y HA 0.677 5.227 4.550 -0.000 0.000 0.335 352 Y C -1.119 174.992 175.900 0.351 0.000 1.252 352 Y CA -1.444 56.929 58.100 0.455 0.000 1.064 352 Y CB 1.053 39.717 38.460 0.341 0.000 1.321 352 Y HN 0.496 nan 8.280 nan 0.000 0.451 353 R N 0.805 121.586 120.500 0.468 0.000 2.854 353 R HA 0.908 5.248 4.340 -0.000 0.000 0.271 353 R C -2.074 174.394 176.300 0.279 0.000 0.994 353 R CA -1.138 55.076 56.100 0.189 0.000 0.945 353 R CB 2.306 32.463 30.300 -0.239 0.000 1.194 353 R HN 0.533 nan 8.270 nan 0.000 0.476 354 V N 2.294 122.325 119.914 0.196 0.000 2.435 354 V HA 0.437 4.557 4.120 -0.000 0.000 0.290 354 V C -0.049 176.100 176.094 0.091 0.000 1.030 354 V CA -0.663 61.715 62.300 0.131 0.000 0.881 354 V CB 1.518 33.382 31.823 0.068 0.000 0.983 354 V HN 0.658 nan 8.190 nan 0.000 0.445 355 V N 1.736 121.722 119.914 0.120 0.000 2.680 355 V HA 0.689 4.808 4.120 -0.000 0.000 0.309 355 V C -0.449 175.768 176.094 0.205 0.000 1.052 355 V CA -0.849 61.520 62.300 0.115 0.000 0.908 355 V CB 2.044 33.897 31.823 0.050 0.000 1.001 355 V HN 0.740 nan 8.190 nan 0.000 0.431 356 N N 4.350 123.155 118.700 0.175 0.000 2.426 356 N HA 0.371 5.111 4.740 -0.000 0.000 0.257 356 N C -0.529 175.001 175.510 0.034 0.000 1.002 356 N CA -0.658 52.459 53.050 0.113 0.000 0.942 356 N CB 0.689 39.245 38.487 0.115 0.000 1.112 356 N HN 0.716 nan 8.380 nan 0.000 0.499 357 I N 3.248 123.815 120.570 -0.005 0.000 2.496 357 I HA 0.059 4.229 4.170 -0.000 0.000 0.285 357 I C 1.285 177.401 176.117 -0.001 0.000 1.080 357 I CA -0.720 60.581 61.300 0.001 0.000 1.404 357 I CB -0.435 37.561 38.000 -0.007 0.000 1.403 357 I HN 0.577 nan 8.210 nan 0.000 0.539 358 C N 4.093 123.403 119.300 0.016 0.000 2.656 358 C HA 0.246 4.706 4.460 -0.000 0.000 0.391 358 C C 2.092 177.111 174.990 0.049 0.000 1.300 358 C CA -0.073 58.965 59.018 0.034 0.000 2.302 358 C CB 0.549 28.314 27.740 0.041 0.000 2.655 358 C HN 0.949 nan 8.230 nan 0.000 0.656 359 S N 1.930 117.680 115.700 0.083 0.000 2.374 359 S HA -0.095 4.375 4.470 -0.000 0.000 0.227 359 S C 1.808 176.482 174.600 0.124 0.000 1.037 359 S CA 1.757 60.011 58.200 0.089 0.000 1.024 359 S CB -1.354 61.903 63.200 0.094 0.000 0.861 359 S HN 1.412 nan 8.310 nan 0.000 0.456 360 G N 0.476 109.392 108.800 0.193 0.000 2.534 360 G HA2 0.316 4.276 3.960 -0.000 0.000 0.217 360 G HA3 0.316 4.276 3.960 -0.000 0.000 0.217 360 G C 1.347 176.284 174.900 0.061 0.000 1.128 360 G CA 0.526 45.724 45.100 0.164 0.000 0.784 360 G HN 0.833 nan 8.290 nan 0.000 0.542 361 A N -0.286 122.557 122.820 0.037 0.000 2.220 361 A HA 0.517 4.837 4.320 -0.000 0.000 0.211 361 A C 1.004 178.590 177.584 0.004 0.000 1.176 361 A CA -0.377 51.668 52.037 0.013 0.000 0.834 361 A CB 0.047 19.050 19.000 0.006 0.000 0.868 361 A HN 0.255 nan 8.150 nan 0.000 0.488 362 L N 2.672 123.897 121.223 0.003 0.000 2.453 362 L HA 0.056 4.396 4.340 -0.000 0.000 0.272 362 L C 0.279 177.129 176.870 -0.034 0.000 1.182 362 L CA -0.555 54.272 54.840 -0.022 0.000 0.858 362 L CB 0.231 42.272 42.059 -0.030 0.000 1.120 362 L HN 0.551 nan 8.230 nan 0.000 0.474 363 N N 2.665 121.332 118.700 -0.055 0.000 2.399 363 N HA -0.016 4.724 4.740 -0.000 0.000 0.250 363 N C 0.263 175.692 175.510 -0.135 0.000 1.272 363 N CA -0.533 52.473 53.050 -0.073 0.000 0.928 363 N CB 0.449 38.893 38.487 -0.072 0.000 1.158 363 N HN 0.451 nan 8.380 nan 0.000 0.463 364 N N 0.553 119.161 118.700 -0.154 0.000 2.149 364 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 364 N C 1.530 176.639 175.510 -0.669 0.000 1.019 364 N CA 1.727 54.619 53.050 -0.262 0.000 0.857 364 N CB -0.701 37.718 38.487 -0.113 0.000 0.997 364 N HN 0.780 nan 8.380 nan 0.000 0.426 365 A N 0.350 122.743 122.820 -0.712 0.000 1.968 365 A HA 0.281 4.601 4.320 -0.000 0.000 0.217 365 A C 1.148 178.413 177.584 -0.531 0.000 1.169 365 A CA 0.825 52.278 52.037 -0.975 0.000 0.638 365 A CB -0.446 18.319 19.000 -0.393 0.000 0.812 365 A HN 0.299 nan 8.150 nan 0.000 0.446 366 A N -0.586 122.044 122.820 -0.318 0.000 2.366 366 A HA 0.591 4.911 4.320 -0.000 0.000 0.272 366 A C 1.157 178.667 177.584 -0.124 0.000 1.135 366 A CA 0.239 52.163 52.037 -0.188 0.000 0.804 366 A CB 0.418 19.339 19.000 -0.132 0.000 1.064 366 A HN 0.979 nan 8.150 nan 0.000 0.499 367 A N 2.279 125.071 122.820 -0.046 0.000 2.132 367 A HA 0.346 4.666 4.320 -0.000 0.000 0.213 367 A C 0.894 178.576 177.584 0.164 0.000 1.154 367 A CA 1.273 53.370 52.037 0.100 0.000 0.753 367 A CB -0.002 19.153 19.000 0.259 0.000 0.826 367 A HN 0.790 nan 8.150 nan 0.000 0.469 368 K N -0.994 119.461 120.400 0.092 0.000 2.598 368 K HA 0.392 4.712 4.320 -0.000 0.000 0.271 368 K C -1.929 174.608 176.600 -0.105 0.000 0.947 368 K CA -0.590 55.703 56.287 0.011 0.000 0.854 368 K CB 1.258 33.815 32.500 0.095 0.000 1.401 368 K HN 0.073 nan 8.250 nan 0.000 0.415 369 K N 3.187 123.474 120.400 -0.188 0.000 2.513 369 K HA 0.325 4.645 4.320 -0.000 0.000 0.251 369 K C -1.857 174.616 176.600 -0.213 0.000 0.939 369 K CA -0.667 55.524 56.287 -0.160 0.000 0.793 369 K CB 1.003 33.459 32.500 -0.073 0.000 1.241 369 K HN 0.429 nan 8.250 nan 0.000 0.431 370 Y N 1.537 121.846 120.300 0.016 0.000 2.330 370 Y HA 0.298 4.848 4.550 -0.000 0.000 0.336 370 Y C -0.168 175.738 175.900 0.009 0.000 1.036 370 Y CA -0.498 57.612 58.100 0.018 0.000 1.125 370 Y CB 1.470 39.942 38.460 0.020 0.000 1.194 370 Y HN 0.517 nan 8.280 nan 0.000 0.469 371 D N 2.612 123.119 120.400 0.179 0.000 2.185 371 D HA 0.364 5.004 4.640 -0.000 0.000 0.247 371 D C -1.093 175.272 176.300 0.107 0.000 1.027 371 D CA -0.507 53.561 54.000 0.112 0.000 0.861 371 D CB 1.995 42.846 40.800 0.085 0.000 1.202 371 D HN 0.461 nan 8.370 nan 0.000 0.453 372 L N 1.555 122.822 121.223 0.073 0.000 2.280 372 L HA 0.377 4.717 4.340 -0.000 0.000 0.287 372 L C -0.673 176.285 176.870 0.147 0.000 1.023 372 L CA -0.459 54.420 54.840 0.065 0.000 0.819 372 L CB 0.555 42.559 42.059 -0.092 0.000 1.212 372 L HN 0.257 nan 8.230 nan 0.000 0.420 373 E N 4.873 125.216 120.200 0.238 0.000 2.113 373 E HA 0.508 4.858 4.350 -0.000 0.000 0.273 373 E C -0.575 176.369 176.600 0.574 0.000 0.924 373 E CA -0.678 55.933 56.400 0.351 0.000 0.764 373 E CB 1.793 31.677 29.700 0.306 0.000 1.104 373 E HN 0.724 nan 8.360 nan 0.000 0.406 374 A N 3.816 126.980 122.820 0.574 0.000 2.316 374 A HA 0.171 4.491 4.320 -0.000 0.000 0.284 374 A C -0.734 177.263 177.584 0.688 0.000 1.115 374 A CA -0.588 51.821 52.037 0.620 0.000 0.812 374 A CB 0.517 19.789 19.000 0.453 0.000 1.064 374 A HN 0.816 nan 8.150 nan 0.000 0.489 375 W N 3.401 124.879 121.300 0.297 0.000 2.345 375 W HA 0.465 5.125 4.660 -0.000 0.000 0.308 375 W C -1.971 174.579 176.519 0.052 0.000 1.273 375 W CA -0.408 56.918 57.345 -0.031 0.000 1.243 375 W CB 0.477 29.820 29.460 -0.195 0.000 1.260 375 W HN 0.485 nan 8.180 nan 0.000 0.509 376 F N 8.831 128.271 119.950 -0.850 0.000 2.313 376 F HA 0.227 4.753 4.527 -0.000 0.000 0.369 376 F C -1.202 173.936 175.800 -1.104 0.000 1.109 376 F CA -2.898 54.681 58.000 -0.701 0.000 1.132 376 F CB 0.733 39.458 39.000 -0.458 0.000 1.291 376 F HN 0.233 nan 8.300 nan 0.000 0.496 377 P HA -0.077 nan 4.420 nan 0.000 0.225 377 P C 1.031 178.173 177.300 -0.262 0.000 1.156 377 P CA 1.022 63.807 63.100 -0.526 0.000 0.787 377 P CB 0.429 32.059 31.700 -0.118 0.000 0.802 378 A N 0.009 122.712 122.820 -0.195 0.000 1.943 378 A HA 0.036 4.356 4.320 -0.000 0.000 0.213 378 A C 2.337 179.842 177.584 -0.131 0.000 1.181 378 A CA 1.078 53.049 52.037 -0.110 0.000 0.653 378 A CB -1.062 17.904 19.000 -0.057 0.000 0.833 378 A HN 0.098 nan 8.150 nan 0.000 0.451 379 S N -0.897 114.709 115.700 -0.157 0.000 2.453 379 S HA 0.244 4.714 4.470 -0.000 0.000 0.231 379 S C 1.441 175.889 174.600 -0.253 0.000 1.005 379 S CA 0.853 58.943 58.200 -0.184 0.000 0.949 379 S CB -0.302 62.786 63.200 -0.186 0.000 0.774 379 S HN 1.658 nan 8.310 nan 0.000 0.510 380 G N 1.257 109.815 108.800 -0.403 0.000 2.246 380 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.273 380 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.273 380 G C -0.106 174.513 174.900 -0.468 0.000 1.055 380 G CA 0.204 45.060 45.100 -0.408 0.000 0.851 380 G HN 0.961 nan 8.290 nan 0.000 0.500 381 A N -1.000 121.322 122.820 -0.830 0.000 2.587 381 A HA 0.830 5.150 4.320 -0.000 0.000 0.293 381 A C -0.598 176.780 177.584 -0.343 0.000 1.087 381 A CA -0.882 50.938 52.037 -0.362 0.000 0.692 381 A CB 1.015 19.880 19.000 -0.225 0.000 1.291 381 A HN 0.738 nan 8.150 nan 0.000 0.407 382 F N 1.221 121.306 119.950 0.226 0.000 2.427 382 F HA 0.577 5.103 4.527 -0.000 0.000 0.352 382 F C 1.122 176.946 175.800 0.040 0.000 1.100 382 F CA 0.553 58.708 58.000 0.259 0.000 1.191 382 F CB 1.174 40.353 39.000 0.299 0.000 1.128 382 F HN 0.463 nan 8.300 nan 0.000 0.533 383 R N 1.806 122.426 120.500 0.201 0.000 2.628 383 R HA 0.243 4.583 4.340 -0.000 0.000 0.288 383 R C -0.843 175.594 176.300 0.229 0.000 0.980 383 R CA -1.085 55.016 56.100 0.001 0.000 0.891 383 R CB 2.222 32.166 30.300 -0.595 0.000 1.188 383 R HN 0.613 nan 8.270 nan 0.000 0.450 384 E N 3.398 123.715 120.200 0.195 0.000 2.417 384 E HA -0.038 4.312 4.350 -0.000 0.000 0.261 384 E C 0.016 176.735 176.600 0.197 0.000 1.000 384 E CA 0.147 56.655 56.400 0.181 0.000 0.919 384 E CB 0.654 30.421 29.700 0.112 0.000 0.955 384 E HN 0.547 nan 8.360 nan 0.000 0.455 385 L N 3.866 125.191 121.223 0.171 0.000 2.537 385 L HA 0.227 4.567 4.340 -0.000 0.000 0.224 385 L C -0.207 176.675 176.870 0.021 0.000 1.065 385 L CA 0.106 55.010 54.840 0.105 0.000 0.860 385 L CB 0.929 43.081 42.059 0.155 0.000 1.086 385 L HN 0.335 nan 8.230 nan 0.000 0.482 386 V N -0.883 119.048 119.914 0.028 0.000 2.932 386 V HA 0.393 4.513 4.120 -0.000 0.000 0.307 386 V C -0.859 175.245 176.094 0.015 0.000 1.147 386 V CA -0.518 61.779 62.300 -0.005 0.000 0.951 386 V CB 2.275 34.081 31.823 -0.029 0.000 1.031 386 V HN -0.001 nan 8.190 nan 0.000 0.426 387 S N 1.880 117.584 115.700 0.007 0.000 2.526 387 S HA 0.688 5.158 4.470 -0.000 0.000 0.293 387 S C -0.942 173.667 174.600 0.016 0.000 1.092 387 S CA -0.504 57.710 58.200 0.023 0.000 0.980 387 S CB 1.733 64.939 63.200 0.009 0.000 1.048 387 S HN 0.783 nan 8.310 nan 0.000 0.483 388 C N 2.930 122.258 119.300 0.046 0.000 2.396 388 C HA 0.880 5.340 4.460 -0.000 0.000 0.321 388 C C 0.058 175.055 174.990 0.013 0.000 1.233 388 C CA -0.809 58.230 59.018 0.036 0.000 1.440 388 C CB 0.640 28.436 27.740 0.094 0.000 2.110 388 C HN 0.957 nan 8.230 nan 0.000 0.473 389 S N 2.217 117.884 115.700 -0.055 0.000 2.549 389 S HA 0.571 5.041 4.470 -0.000 0.000 0.280 389 S C -1.290 173.205 174.600 -0.175 0.000 1.109 389 S CA -0.589 57.550 58.200 -0.102 0.000 0.905 389 S CB 1.422 64.561 63.200 -0.101 0.000 1.081 389 S HN 0.667 nan 8.310 nan 0.000 0.477 390 N N 0.732 119.296 118.700 -0.226 0.000 2.426 390 N HA 0.322 5.062 4.740 -0.000 0.000 0.257 390 N C -0.251 175.064 175.510 -0.325 0.000 1.002 390 N CA -0.691 52.124 53.050 -0.393 0.000 0.942 390 N CB 0.627 38.645 38.487 -0.782 0.000 1.112 390 N HN 0.695 nan 8.380 nan 0.000 0.499 391 C N 2.162 121.274 119.300 -0.314 0.000 2.780 391 C HA 0.114 4.574 4.460 -0.000 0.000 0.287 391 C C 1.638 176.470 174.990 -0.263 0.000 1.288 391 C CA 0.423 59.298 59.018 -0.238 0.000 1.713 391 C CB -2.016 25.619 27.740 -0.175 0.000 1.955 391 C HN 0.955 nan 8.230 nan 0.000 0.613 392 T N 1.746 116.019 114.554 -0.467 0.000 6.609 392 T HA -0.386 3.963 4.350 -0.000 0.000 0.204 392 T C 0.336 174.722 174.700 -0.523 0.000 1.650 392 T CA 2.396 63.982 62.100 -0.857 0.000 1.250 392 T CB -1.031 67.409 68.868 -0.713 0.000 1.462 392 T HN 0.515 nan 8.240 nan 0.000 0.418 393 D N 0.096 120.316 120.400 -0.299 0.000 2.424 393 D HA 0.298 4.938 4.640 -0.000 0.000 0.220 393 D C 1.205 177.474 176.300 -0.052 0.000 1.150 393 D CA -0.176 53.793 54.000 -0.052 0.000 0.831 393 D CB -0.501 40.356 40.800 0.095 0.000 0.981 393 D HN 0.702 nan 8.370 nan 0.000 0.500 394 Y N 1.215 121.427 120.300 -0.147 0.000 2.184 394 Y HA -0.138 4.412 4.550 -0.000 0.000 0.290 394 Y C 2.033 177.873 175.900 -0.100 0.000 1.129 394 Y CA 1.706 59.738 58.100 -0.114 0.000 1.144 394 Y CB 0.280 38.687 38.460 -0.089 0.000 0.995 394 Y HN -0.084 nan 8.280 nan 0.000 0.513 395 Q N -0.586 119.299 119.800 0.142 0.000 2.137 395 Q HA -0.129 4.211 4.340 -0.000 0.000 0.198 395 Q C 2.469 178.479 176.000 0.017 0.000 0.960 395 Q CA 1.734 57.589 55.803 0.088 0.000 0.847 395 Q CB -0.215 28.602 28.738 0.132 0.000 0.915 395 Q HN 0.534 nan 8.270 nan 0.000 0.448 396 S N 0.532 116.243 115.700 0.017 0.000 2.382 396 S HA -0.240 4.230 4.470 -0.000 0.000 0.228 396 S C 1.999 176.537 174.600 -0.104 0.000 1.027 396 S CA 1.084 59.311 58.200 0.046 0.000 0.991 396 S CB -0.263 63.018 63.200 0.135 0.000 0.823 396 S HN 0.245 nan 8.310 nan 0.000 0.469 397 Q N 1.374 120.931 119.800 -0.405 0.000 2.124 397 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 397 Q C 2.346 178.122 176.000 -0.373 0.000 0.977 397 Q CA 1.902 57.225 55.803 -0.800 0.000 0.850 397 Q CB -0.684 27.553 28.738 -0.835 0.000 0.901 397 Q HN 0.642 nan 8.270 nan 0.000 0.429 398 S N -0.239 115.312 115.700 -0.249 0.000 2.383 398 S HA -0.092 4.378 4.470 -0.000 0.000 0.227 398 S C 1.826 176.390 174.600 -0.059 0.000 1.026 398 S CA 1.359 59.465 58.200 -0.156 0.000 0.981 398 S CB -0.208 62.912 63.200 -0.133 0.000 0.818 398 S HN 0.370 nan 8.310 nan 0.000 0.472 399 V N -0.328 119.580 119.914 -0.010 0.000 3.623 399 V HA 0.341 4.461 4.120 -0.000 0.000 0.271 399 V C 0.571 176.709 176.094 0.073 0.000 1.248 399 V CA 0.728 63.057 62.300 0.049 0.000 1.156 399 V CB -1.616 30.264 31.823 0.096 0.000 0.870 399 V HN 0.590 nan 8.190 nan 0.000 0.453 400 N N -0.405 118.338 118.700 0.072 0.000 2.727 400 N HA -0.232 4.508 4.740 -0.000 0.000 0.251 400 N C -0.500 175.109 175.510 0.164 0.000 1.040 400 N CA 0.936 54.082 53.050 0.161 0.000 0.712 400 N CB -1.867 36.686 38.487 0.109 0.000 0.912 400 N HN 0.800 nan 8.380 nan 0.000 0.545 401 C N 2.825 122.262 119.300 0.229 0.000 2.176 401 C HA 0.497 4.957 4.460 -0.000 0.000 0.329 401 C C 0.494 175.591 174.990 0.178 0.000 1.113 401 C CA -0.843 58.306 59.018 0.219 0.000 1.562 401 C CB -0.774 27.150 27.740 0.308 0.000 2.040 401 C HN 0.304 nan 8.230 nan 0.000 0.460 402 R N 3.206 123.612 120.500 -0.156 0.000 2.549 402 R HA 0.406 4.746 4.340 -0.000 0.000 0.267 402 R C -1.097 175.005 176.300 -0.330 0.000 1.045 402 R CA -0.270 55.453 56.100 -0.627 0.000 1.115 402 R CB 1.320 30.595 30.300 -1.708 0.000 1.121 402 R HN 0.796 nan 8.270 nan 0.000 0.543 403 Y N -1.244 118.815 120.300 -0.401 0.000 2.512 403 Y HA 0.474 5.024 4.550 -0.000 0.000 0.348 403 Y C 0.138 176.095 175.900 0.095 0.000 0.990 403 Y CA 0.536 58.626 58.100 -0.017 0.000 1.033 403 Y CB 2.097 40.573 38.460 0.026 0.000 1.259 403 Y HN 0.908 nan 8.280 nan 0.000 0.461 404 G N 3.442 112.021 108.800 -0.368 0.000 2.498 404 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.651 404 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.651 404 G C -3.198 171.768 174.900 0.110 0.000 1.284 404 G CA -1.170 43.861 45.100 -0.116 0.000 0.950 404 G HN 0.536 nan 8.290 nan 0.000 0.511 405 P HA 0.210 nan 4.420 nan 0.000 0.264 405 P C -0.314 176.938 177.300 -0.079 0.000 1.183 405 P CA 0.160 63.247 63.100 -0.021 0.000 0.763 405 P CB 0.471 32.167 31.700 -0.008 0.000 0.807 406 N N 3.689 122.173 118.700 -0.359 0.000 2.804 406 N HA 0.313 5.053 4.740 -0.000 0.000 0.251 406 N C -1.610 173.609 175.510 -0.487 0.000 1.250 406 N CA -0.186 52.386 53.050 -0.797 0.000 0.820 406 N CB -0.203 37.391 38.487 -1.490 0.000 1.156 406 N HN 0.231 nan 8.380 nan 0.000 0.512 407 L N 0.726 121.766 121.223 -0.305 0.000 2.354 407 L HA 0.570 4.910 4.340 -0.000 0.000 0.264 407 L C 0.731 177.511 176.870 -0.149 0.000 1.008 407 L CA -1.185 53.540 54.840 -0.191 0.000 0.819 407 L CB 2.174 44.162 42.059 -0.119 0.000 1.339 407 L HN 0.242 nan 8.230 nan 0.000 0.420 408 R N 0.593 121.023 120.500 -0.116 0.000 2.640 408 R HA 0.254 4.594 4.340 -0.000 0.000 0.270 408 R C 0.938 177.207 176.300 -0.053 0.000 1.024 408 R CA 1.425 57.478 56.100 -0.079 0.000 1.085 408 R CB 0.250 30.511 30.300 -0.065 0.000 0.963 408 R HN 0.872 nan 8.270 nan 0.000 0.426 409 G N 2.065 110.844 108.800 -0.036 0.000 2.175 409 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.244 409 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.244 409 G C 0.076 174.973 174.900 -0.006 0.000 0.982 409 G CA 0.371 45.461 45.100 -0.018 0.000 0.641 409 G HN 0.842 nan 8.290 nan 0.000 0.527 410 T N -0.277 114.273 114.554 -0.006 0.000 2.779 410 T HA 0.770 5.120 4.350 -0.000 0.000 0.296 410 T C 0.844 175.564 174.700 0.034 0.000 0.938 410 T CA 0.720 62.831 62.100 0.018 0.000 1.119 410 T CB 1.854 70.740 68.868 0.030 0.000 0.891 410 T HN 1.595 nan 8.240 nan 0.000 0.526 411 A N 3.510 126.353 122.820 0.038 0.000 2.336 411 A HA 0.779 5.099 4.320 -0.000 0.000 0.278 411 A C 1.210 178.830 177.584 0.060 0.000 1.371 411 A CA -0.495 51.569 52.037 0.044 0.000 0.842 411 A CB -0.637 18.386 19.000 0.038 0.000 1.363 411 A HN 1.614 nan 8.150 nan 0.000 0.517 412 A N -0.031 122.825 122.820 0.061 0.000 2.515 412 A HA 0.226 4.546 4.320 -0.000 0.000 0.276 412 A C 0.274 177.900 177.584 0.070 0.000 1.104 412 A CA 0.326 52.405 52.037 0.071 0.000 0.822 412 A CB -1.093 17.950 19.000 0.071 0.000 1.016 412 A HN 0.594 nan 8.150 nan 0.000 0.530 413 Q N 2.435 122.280 119.800 0.076 0.000 2.325 413 Q HA -0.011 4.329 4.340 -0.000 0.000 0.256 413 Q C 1.076 177.115 176.000 0.064 0.000 1.142 413 Q CA -0.455 55.390 55.803 0.070 0.000 0.902 413 Q CB 0.346 29.130 28.738 0.078 0.000 1.350 413 Q HN 0.824 nan 8.270 nan 0.000 0.449 414 N N 1.468 120.205 118.700 0.061 0.000 2.122 414 N HA -0.180 4.560 4.740 -0.000 0.000 0.199 414 N C -0.128 175.421 175.510 0.063 0.000 1.007 414 N CA 1.157 54.243 53.050 0.060 0.000 0.892 414 N CB 0.272 38.791 38.487 0.053 0.000 1.050 414 N HN 0.273 nan 8.380 nan 0.000 0.468 415 V N 1.464 121.414 119.914 0.059 0.000 2.443 415 V HA 0.260 4.380 4.120 -0.000 0.000 0.293 415 V C -0.219 175.893 176.094 0.030 0.000 1.021 415 V CA -0.857 61.478 62.300 0.059 0.000 0.848 415 V CB 1.891 33.753 31.823 0.065 0.000 0.998 415 V HN -0.007 nan 8.190 nan 0.000 0.424 416 K N 3.794 124.194 120.400 -0.000 0.000 2.339 416 K HA 0.412 4.732 4.320 -0.000 0.000 0.286 416 K C -0.161 176.321 176.600 -0.197 0.000 1.050 416 K CA -0.229 55.964 56.287 -0.156 0.000 0.956 416 K CB 1.317 33.681 32.500 -0.227 0.000 0.990 416 K HN 0.673 nan 8.250 nan 0.000 0.475 417 E N 2.166 122.218 120.200 -0.245 0.000 2.242 417 E HA 0.249 4.599 4.350 -0.000 0.000 0.275 417 E C -0.997 175.381 176.600 -0.369 0.000 1.002 417 E CA -0.592 55.729 56.400 -0.132 0.000 0.841 417 E CB 1.017 30.762 29.700 0.075 0.000 1.109 417 E HN 0.345 nan 8.360 nan 0.000 0.394 418 Y N -0.107 120.215 120.300 0.037 0.000 2.524 418 Y HA 0.269 4.818 4.550 -0.000 0.000 0.344 418 Y C 0.257 176.212 175.900 0.090 0.000 1.012 418 Y CA -1.023 57.102 58.100 0.041 0.000 1.068 418 Y CB 1.045 39.521 38.460 0.027 0.000 1.249 418 Y HN 0.516 nan 8.280 nan 0.000 0.468 419 C N 1.104 120.578 119.300 0.290 0.000 2.758 419 C HA 0.088 4.548 4.460 -0.000 0.000 0.371 419 C C 0.439 175.564 174.990 0.225 0.000 1.342 419 C CA -0.212 58.913 59.018 0.178 0.000 2.257 419 C CB -0.564 27.317 27.740 0.236 0.000 2.621 419 C HN 0.724 nan 8.230 nan 0.000 0.730 420 H N -0.003 119.013 119.070 -0.089 0.000 2.479 420 H HA 0.507 5.062 4.556 -0.000 0.000 0.335 420 H C -0.427 174.803 175.328 -0.162 0.000 1.142 420 H CA -0.504 55.466 56.048 -0.130 0.000 1.234 420 H CB 1.082 30.726 29.762 -0.195 0.000 1.503 420 H HN 0.467 nan 8.280 nan 0.000 0.510 421 M N 3.312 122.840 119.600 -0.119 0.000 2.464 421 M HA 0.357 4.837 4.480 -0.000 0.000 0.308 421 M C -1.498 174.557 176.300 -0.408 0.000 1.127 421 M CA -0.868 54.263 55.300 -0.282 0.000 0.913 421 M CB 2.342 34.811 32.600 -0.218 0.000 1.689 421 M HN 0.241 nan 8.290 nan 0.000 0.445 422 L N 2.710 123.596 121.223 -0.563 0.000 2.371 422 L HA 0.674 5.014 4.340 -0.000 0.000 0.262 422 L C -0.621 175.871 176.870 -0.630 0.000 1.006 422 L CA -0.547 54.006 54.840 -0.478 0.000 0.818 422 L CB 1.999 43.865 42.059 -0.321 0.000 1.354 422 L HN 0.756 nan 8.230 nan 0.000 0.415 423 N N 0.217 118.687 118.700 -0.383 0.000 2.329 423 N HA 0.837 5.577 4.740 -0.000 0.000 0.282 423 N C -1.091 174.359 175.510 -0.101 0.000 1.198 423 N CA -0.584 52.316 53.050 -0.251 0.000 0.790 423 N CB 2.870 41.259 38.487 -0.163 0.000 1.579 423 N HN 0.723 nan 8.380 nan 0.000 0.475 424 G N -0.110 108.666 108.800 -0.040 0.000 2.732 424 G HA2 0.414 4.374 3.960 -0.000 0.000 0.296 424 G HA3 0.414 4.374 3.960 -0.000 0.000 0.296 424 G C -1.187 173.690 174.900 -0.038 0.000 1.448 424 G CA -0.577 44.506 45.100 -0.028 0.000 0.911 424 G HN 0.496 nan 8.290 nan 0.000 0.528 425 T N 2.845 117.371 114.554 -0.046 0.000 2.888 425 T HA 0.122 4.472 4.350 -0.000 0.000 0.301 425 T C 1.388 175.998 174.700 -0.149 0.000 1.001 425 T CA -0.352 61.700 62.100 -0.081 0.000 1.147 425 T CB 1.486 70.314 68.868 -0.067 0.000 0.931 425 T HN 0.388 nan 8.240 nan 0.000 0.541 426 L N 1.925 123.006 121.223 -0.237 0.000 2.185 426 L HA 0.333 4.673 4.340 -0.000 0.000 0.198 426 L C 0.642 177.179 176.870 -0.554 0.000 1.079 426 L CA 1.159 55.740 54.840 -0.433 0.000 0.780 426 L CB 0.353 42.096 42.059 -0.527 0.000 0.955 426 L HN 0.733 nan 8.230 nan 0.000 0.462 427 C N 1.176 120.216 119.300 -0.432 0.000 2.599 427 C HA 0.710 5.170 4.460 -0.000 0.000 0.354 427 C C 0.111 175.023 174.990 -0.129 0.000 1.092 427 C CA -0.971 57.873 59.018 -0.291 0.000 1.280 427 C CB 0.453 27.965 27.740 -0.379 0.000 1.829 427 C HN 0.494 nan 8.230 nan 0.000 0.454 428 A N 6.892 129.664 122.820 -0.081 0.000 2.279 428 A HA 0.488 4.808 4.320 -0.000 0.000 0.306 428 A C 1.061 178.606 177.584 -0.065 0.000 1.300 428 A CA -0.347 51.651 52.037 -0.064 0.000 0.925 428 A CB 0.071 18.976 19.000 -0.158 0.000 1.152 428 A HN 0.842 nan 8.150 nan 0.000 0.544 429 I N 2.628 123.193 120.570 -0.009 0.000 2.202 429 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 429 I C 2.809 178.906 176.117 -0.034 0.000 1.091 429 I CA 2.431 63.733 61.300 0.004 0.000 1.368 429 I CB -1.402 36.620 38.000 0.037 0.000 1.058 429 I HN 0.786 nan 8.210 nan 0.000 0.410 430 T N -0.852 113.656 114.554 -0.076 0.000 2.821 430 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 430 T C 2.048 176.623 174.700 -0.207 0.000 1.046 430 T CA 0.867 62.880 62.100 -0.144 0.000 1.139 430 T CB -0.363 68.378 68.868 -0.212 0.000 0.871 430 T HN 0.277 nan 8.240 nan 0.000 0.454 431 R N 0.650 120.953 120.500 -0.328 0.000 2.075 431 R HA -0.011 4.329 4.340 -0.000 0.000 0.232 431 R C 2.836 179.133 176.300 -0.006 0.000 1.126 431 R CA 1.763 57.651 56.100 -0.354 0.000 0.963 431 R CB -0.870 29.078 30.300 -0.587 0.000 0.858 431 R HN 0.408 nan 8.270 nan 0.000 0.435 432 T N 1.342 115.885 114.554 -0.019 0.000 2.746 432 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 432 T C 1.871 176.566 174.700 -0.008 0.000 1.039 432 T CA 1.332 63.447 62.100 0.026 0.000 1.142 432 T CB -0.074 68.833 68.868 0.065 0.000 0.866 432 T HN 0.174 nan 8.240 nan 0.000 0.444 433 M N 0.473 120.063 119.600 -0.017 0.000 2.117 433 M HA -0.105 4.375 4.480 -0.000 0.000 0.262 433 M C 2.675 178.973 176.300 -0.004 0.000 1.065 433 M CA 1.234 56.523 55.300 -0.017 0.000 1.114 433 M CB -0.721 31.873 32.600 -0.010 0.000 1.361 433 M HN 0.340 nan 8.290 nan 0.000 0.408 434 C N -0.592 118.713 119.300 0.008 0.000 2.413 434 C HA -0.197 4.262 4.460 -0.000 0.000 0.276 434 C C 3.092 178.045 174.990 -0.062 0.000 1.236 434 C CA 0.690 59.728 59.018 0.034 0.000 1.735 434 C CB -1.166 26.535 27.740 -0.065 0.000 2.031 434 C HN 0.736 nan 8.230 nan 0.000 0.474 435 C N 0.656 119.812 119.300 -0.241 0.000 2.429 435 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 435 C C 2.543 177.349 174.990 -0.307 0.000 1.262 435 C CA 1.172 59.757 59.018 -0.722 0.000 1.733 435 C CB -1.416 26.006 27.740 -0.529 0.000 2.010 435 C HN 0.609 nan 8.230 nan 0.000 0.483 436 I N -0.064 120.443 120.570 -0.106 0.000 2.226 436 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 436 I C 2.702 178.866 176.117 0.078 0.000 1.100 436 I CA 1.564 62.880 61.300 0.026 0.000 1.374 436 I CB -0.537 37.417 38.000 -0.076 0.000 1.057 436 I HN 0.398 nan 8.210 nan 0.000 0.413 437 C N 0.713 120.030 119.300 0.028 0.000 2.413 437 C HA -0.155 4.305 4.460 -0.000 0.000 0.276 437 C C 2.731 177.761 174.990 0.068 0.000 1.236 437 C CA 0.975 60.035 59.018 0.069 0.000 1.735 437 C CB -0.993 26.809 27.740 0.104 0.000 2.031 437 C HN 0.489 nan 8.230 nan 0.000 0.474 438 E N 0.460 120.664 120.200 0.006 0.000 2.051 438 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 438 E C 1.794 178.358 176.600 -0.061 0.000 0.991 438 E CA 0.908 57.288 56.400 -0.032 0.000 0.799 438 E CB -0.329 29.309 29.700 -0.103 0.000 0.748 438 E HN 0.651 nan 8.360 nan 0.000 0.449 439 N N -0.239 118.411 118.700 -0.082 0.000 2.409 439 N HA -0.082 4.658 4.740 -0.000 0.000 0.179 439 N C 0.738 176.117 175.510 -0.219 0.000 1.032 439 N CA 0.844 53.818 53.050 -0.127 0.000 0.898 439 N CB 0.173 38.591 38.487 -0.115 0.000 0.971 439 N HN 0.219 nan 8.380 nan 0.000 0.441 440 Y N 1.202 121.467 120.300 -0.057 0.000 2.584 440 Y HA 0.153 4.703 4.550 -0.000 0.000 0.254 440 Y C 0.651 176.524 175.900 -0.044 0.000 1.177 440 Y CA -0.570 57.500 58.100 -0.049 0.000 1.216 440 Y CB 0.166 38.590 38.460 -0.061 0.000 1.172 440 Y HN 0.041 nan 8.280 nan 0.000 0.529 441 Q N 0.886 120.727 119.800 0.069 0.000 2.392 441 Q HA 0.380 4.720 4.340 -0.000 0.000 0.262 441 Q C 0.094 176.118 176.000 0.039 0.000 1.003 441 Q CA 0.312 56.153 55.803 0.063 0.000 0.888 441 Q CB 1.128 29.933 28.738 0.112 0.000 1.260 441 Q HN 0.242 nan 8.270 nan 0.000 0.435 442 T N -1.227 113.345 114.554 0.031 0.000 2.669 442 T HA 0.277 4.627 4.350 -0.000 0.000 0.283 442 T C 0.282 175.053 174.700 0.118 0.000 1.019 442 T CA -0.526 61.597 62.100 0.039 0.000 1.039 442 T CB 0.991 69.857 68.868 -0.004 0.000 1.374 442 T HN 0.598 nan 8.240 nan 0.000 0.523 443 E N 0.356 120.622 120.200 0.110 0.000 2.150 443 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 443 E C 1.688 178.443 176.600 0.259 0.000 0.985 443 E CA 1.266 57.770 56.400 0.175 0.000 0.814 443 E CB -0.086 29.670 29.700 0.093 0.000 0.752 443 E HN 0.758 nan 8.360 nan 0.000 0.466 444 E N -0.454 119.796 120.200 0.082 0.000 2.400 444 E HA 0.237 4.587 4.350 -0.000 0.000 0.195 444 E C 0.883 177.216 176.600 -0.445 0.000 1.012 444 E CA 0.362 56.757 56.400 -0.009 0.000 0.875 444 E CB 0.779 30.456 29.700 -0.037 0.000 0.859 444 E HN 0.236 nan 8.360 nan 0.000 0.498 445 G N 0.164 108.464 108.800 -0.834 0.000 2.564 445 G HA2 0.074 4.034 3.960 -0.000 0.000 0.139 445 G HA3 0.074 4.034 3.960 -0.000 0.000 0.139 445 G C -1.548 172.967 174.900 -0.642 0.000 1.147 445 G CA -0.652 43.612 45.100 -1.394 0.000 1.031 445 G HN -0.040 nan 8.290 nan 0.000 0.482 446 V N 0.968 120.662 119.914 -0.366 0.000 2.444 446 V HA 0.575 4.695 4.120 -0.000 0.000 0.294 446 V C 0.342 176.387 176.094 -0.082 0.000 1.022 446 V CA -0.696 61.523 62.300 -0.135 0.000 0.850 446 V CB 1.358 33.136 31.823 -0.075 0.000 0.992 446 V HN 0.685 nan 8.190 nan 0.000 0.426 447 V N 5.859 125.779 119.914 0.010 0.000 2.572 447 V HA 0.210 4.330 4.120 -0.000 0.000 0.291 447 V C 0.353 176.391 176.094 -0.094 0.000 1.039 447 V CA -0.257 62.058 62.300 0.025 0.000 1.055 447 V CB 1.108 33.023 31.823 0.153 0.000 0.969 447 V HN 0.538 nan 8.190 nan 0.000 0.482 448 I N 7.100 127.582 120.570 -0.147 0.000 2.396 448 I HA 0.266 4.436 4.170 -0.000 0.000 0.289 448 I C -2.073 173.830 176.117 -0.356 0.000 1.056 448 I CA -2.648 58.499 61.300 -0.255 0.000 1.365 448 I CB 0.766 38.673 38.000 -0.155 0.000 1.407 448 I HN 0.405 nan 8.210 nan 0.000 0.509 449 P HA -0.007 nan 4.420 nan 0.000 0.264 449 P C 0.480 177.620 177.300 -0.266 0.000 1.183 449 P CA 0.130 62.895 63.100 -0.558 0.000 0.763 449 P CB 0.651 31.964 31.700 -0.645 0.000 0.807 450 D N 2.069 122.388 120.400 -0.134 0.000 2.157 450 D HA -0.183 4.457 4.640 -0.000 0.000 0.191 450 D C 1.726 177.954 176.300 -0.119 0.000 1.004 450 D CA 1.788 55.737 54.000 -0.084 0.000 0.854 450 D CB -0.635 40.148 40.800 -0.028 0.000 0.936 450 D HN 0.301 nan 8.370 nan 0.000 0.446 451 V N -1.266 118.528 119.914 -0.201 0.000 2.809 451 V HA -0.079 4.040 4.120 -0.000 0.000 0.256 451 V C 2.222 178.132 176.094 -0.307 0.000 1.080 451 V CA 0.999 63.137 62.300 -0.271 0.000 1.102 451 V CB -0.795 30.759 31.823 -0.449 0.000 0.705 451 V HN 0.144 nan 8.190 nan 0.000 0.475 452 L N -0.540 120.492 121.223 -0.318 0.000 2.418 452 L HA 0.117 4.456 4.340 -0.000 0.000 0.218 452 L C 2.919 179.795 176.870 0.010 0.000 1.125 452 L CA 0.724 55.461 54.840 -0.173 0.000 0.835 452 L CB -0.529 41.388 42.059 -0.237 0.000 0.953 452 L HN 0.228 nan 8.230 nan 0.000 0.454 453 R N 0.631 121.108 120.500 -0.038 0.000 2.083 453 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 453 R C -0.423 175.875 176.300 -0.004 0.000 1.137 453 R CA 1.430 57.514 56.100 -0.026 0.000 0.951 453 R CB -1.568 28.706 30.300 -0.044 0.000 0.851 453 R HN 0.312 nan 8.270 nan 0.000 0.434 454 P HA -0.128 nan 4.420 nan 0.000 0.225 454 P C 0.265 177.441 177.300 -0.205 0.000 1.148 454 P CA 1.217 64.243 63.100 -0.123 0.000 0.779 454 P CB 0.003 31.592 31.700 -0.184 0.000 0.780 455 Y N -0.822 119.472 120.300 -0.009 0.000 2.466 455 Y HA 0.213 4.763 4.550 -0.000 0.000 0.272 455 Y C 1.429 177.330 175.900 0.002 0.000 1.169 455 Y CA 0.134 58.243 58.100 0.016 0.000 1.285 455 Y CB -0.363 38.123 38.460 0.043 0.000 1.078 455 Y HN -0.020 nan 8.280 nan 0.000 0.523 456 M N -2.201 117.454 119.600 0.093 0.000 3.269 456 M HA 0.393 4.873 4.480 -0.000 0.000 0.340 456 M C -0.373 175.933 176.300 0.011 0.000 1.662 456 M CA -0.284 55.044 55.300 0.047 0.000 0.547 456 M CB 0.453 33.076 32.600 0.037 0.000 1.449 456 M HN 0.148 nan 8.290 nan 0.000 0.459 457 M N 0.546 120.145 119.600 -0.002 0.000 2.682 457 M HA -0.232 4.248 4.480 -0.000 0.000 0.196 457 M C 0.958 177.246 176.300 -0.019 0.000 0.542 457 M CA 1.480 56.772 55.300 -0.013 0.000 0.593 457 M CB -2.320 30.277 32.600 -0.006 0.000 2.183 457 M HN 1.136 nan 8.290 nan 0.000 0.663 458 G N 0.225 109.011 108.800 -0.024 0.000 2.155 458 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.257 458 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.257 458 G C 0.045 174.931 174.900 -0.025 0.000 0.983 458 G CA 0.281 45.365 45.100 -0.026 0.000 0.676 458 G HN 0.640 nan 8.290 nan 0.000 0.528 459 I N 0.556 121.112 120.570 -0.023 0.000 2.618 459 I HA 0.119 4.289 4.170 -0.000 0.000 0.284 459 I C 1.489 177.582 176.117 -0.039 0.000 1.146 459 I CA 0.323 61.606 61.300 -0.027 0.000 1.425 459 I CB 0.754 38.739 38.000 -0.025 0.000 1.383 459 I HN 0.238 nan 8.210 nan 0.000 0.562 460 E N 5.361 125.539 120.200 -0.038 0.000 2.364 460 E HA 0.179 4.529 4.350 -0.000 0.000 0.196 460 E C 0.149 176.719 176.600 -0.050 0.000 0.990 460 E CA 0.390 56.766 56.400 -0.041 0.000 0.886 460 E CB 0.783 30.466 29.700 -0.028 0.000 0.866 460 E HN 0.570 nan 8.360 nan 0.000 0.493 461 M N 1.208 120.775 119.600 -0.055 0.000 2.414 461 M HA 0.303 4.783 4.480 -0.000 0.000 0.287 461 M C -1.927 174.326 176.300 -0.078 0.000 1.181 461 M CA -0.614 54.642 55.300 -0.072 0.000 0.933 461 M CB 2.082 34.639 32.600 -0.072 0.000 1.732 461 M HN -0.057 nan 8.290 nan 0.000 0.486 462 I N 0.769 121.279 120.570 -0.100 0.000 2.377 462 I HA 0.616 4.786 4.170 -0.000 0.000 0.293 462 I C -0.931 175.087 176.117 -0.165 0.000 0.987 462 I CA -0.785 60.459 61.300 -0.095 0.000 1.185 462 I CB 1.584 39.546 38.000 -0.064 0.000 1.341 462 I HN 0.735 nan 8.210 nan 0.000 0.455 463 R N 4.324 124.747 120.500 -0.127 0.000 2.540 463 R HA 0.526 4.865 4.340 -0.000 0.000 0.287 463 R C -0.941 175.303 176.300 -0.094 0.000 0.980 463 R CA -0.782 55.218 56.100 -0.167 0.000 0.966 463 R CB 1.337 31.598 30.300 -0.066 0.000 1.106 463 R HN 0.437 nan 8.270 nan 0.000 0.480 464 F N 1.460 121.417 119.950 0.012 0.000 2.595 464 F HA -0.044 4.483 4.527 -0.000 0.000 0.359 464 F C 1.535 177.342 175.800 0.011 0.000 1.147 464 F CA 0.196 58.203 58.000 0.012 0.000 1.341 464 F CB 0.060 39.065 39.000 0.009 0.000 1.104 464 F HN 0.467 nan 8.300 nan 0.000 0.603 465 E N 0.000 120.340 120.200 0.234 0.000 2.725 465 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 465 E CA 0.000 56.473 56.400 0.122 0.000 0.976 465 E CB 0.000 29.755 29.700 0.092 0.000 0.812 465 E HN 0.000 nan 8.360 nan 0.000 0.440