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 1eiy_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVPFSWLKA YVPELESPEV LEERLAGLGF ETDRIERVFP IPRGVVFARV DATA SEQUENCE LEAHPIPGTR LKRLVLDAGR TVEVVSGAEN ARKGIGVALA LPGTELPGLG DATA SEQUENCE QKVGERVIQG VRSFGMALSP RELGVGEYGG GLLEFPEDAL PPGTPLSEAW DATA SEQUENCE PEEVVLDLEV TPNRPDALGL LGLARDLHAL GYALVEPEAA LKAEALPLPF DATA SEQUENCE ALKVEDPEGA PHFTLGYAFG LRVAPSPLWM QRALFAAGMR PINNVVDVTN DATA SEQUENCE YVMLERAQPM HAFDLRFVGE GIAVRRAREG ERLKTLDGVE RTLHPEDLVI DATA SEQUENCE AGWRGEESFP LGLAGVMGGA ESEVREDTEA IALEVACFDP VSIRKTARRH DATA SEQUENCE GLRTEASHRF ERGVDPLGQV PAQRRALSLL QALAGARVAE ALLEAGSPKP DATA SEQUENCE PEAIPFRPEY ANRLLGTSYP EAEQIAILKR LGCRVEGEGP TYRVTPPSHR DATA SEQUENCE LDLRLEEDLV EEVARIQGYE TIPLALPAFF PAPDNRGVEA PYRKEQRLRE DATA SEQUENCE VLSGLGFQEV YTYSFMDPED ARRFRLDPPR LLLLNPLAPE KAALRTHLFP DATA SEQUENCE GLVRVLKENL DLDRPERALL FEVGRVFRER EETHLAGLLF GEGVGLPWAK DATA SEQUENCE ERLSGYFLLK GYLEALFARL GLAFRVEAQA FPFLHPGVSG RVLVEGEEVG DATA SEQUENCE FLGALHPEIA QELELPPVHL FELRLPLPDK PLAFQDPSRH PAAFRDLAVV DATA SEQUENCE VPAPTPYGEV EALVREAAGP YLESLALFDL YQGPPLPEGH KSLAFHLRFR DATA SEQUENCE HPKRTLRDEE VEEAVSRVAE ALRARGFGLR GLDTP 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 0.000 176.284 176.300 -0.027 0.000 1.140 1 M CA 0.000 55.274 55.300 -0.043 0.000 0.988 1 M CB 0.000 32.529 32.600 -0.119 0.000 1.302 2 R N 1.049 121.522 120.500 -0.045 0.000 3.154 2 R HA 0.518 4.863 4.340 0.009 0.000 0.260 2 R C -2.387 173.890 176.300 -0.038 0.000 1.515 2 R CA -0.243 55.848 56.100 -0.015 0.000 0.997 2 R CB 1.217 31.529 30.300 0.020 0.000 1.437 2 R HN 0.309 nan 8.270 nan 0.000 0.398 3 V N 4.598 124.485 119.914 -0.045 0.000 2.320 3 V HA 0.439 4.564 4.120 0.009 0.000 0.265 3 V C -2.098 174.010 176.094 0.024 0.000 1.048 3 V CA -2.021 60.240 62.300 -0.065 0.000 0.865 3 V CB 0.950 32.722 31.823 -0.084 0.000 1.043 3 V HN 0.576 nan 8.190 nan 0.000 0.474 4 P HA 0.151 nan 4.420 nan 0.000 0.270 4 P C 0.560 177.969 177.300 0.182 0.000 1.242 4 P CA -0.036 63.178 63.100 0.189 0.000 0.768 4 P CB 0.499 32.446 31.700 0.412 0.000 0.820 5 F N 3.819 123.781 119.950 0.021 0.000 2.046 5 F HA -0.313 4.220 4.527 0.009 0.000 0.297 5 F C 2.332 178.147 175.800 0.026 0.000 1.123 5 F CA 2.611 60.611 58.000 -0.001 0.000 1.199 5 F CB -0.439 38.546 39.000 -0.025 0.000 0.972 5 F HN 0.295 nan 8.300 nan 0.000 0.474 6 S N -0.005 115.739 115.700 0.072 0.000 2.387 6 S HA -0.314 4.161 4.470 0.009 0.000 0.230 6 S C 1.926 176.497 174.600 -0.049 0.000 1.035 6 S CA 1.264 59.442 58.200 -0.038 0.000 1.014 6 S CB -1.619 61.608 63.200 0.044 0.000 0.836 6 S HN 0.697 nan 8.310 nan 0.000 0.466 7 W N 2.244 123.446 121.300 -0.163 0.000 2.355 7 W HA 0.023 4.689 4.660 0.009 0.000 0.309 7 W C 2.072 178.443 176.519 -0.247 0.000 1.206 7 W CA 0.788 58.032 57.345 -0.168 0.000 1.284 7 W CB -1.113 28.318 29.460 -0.048 0.000 1.145 7 W HN 0.395 nan 8.180 nan 0.000 0.502 8 L N 1.772 122.943 121.223 -0.088 0.000 2.083 8 L HA -0.131 4.215 4.340 0.009 0.000 0.209 8 L C 2.204 178.930 176.870 -0.241 0.000 1.083 8 L CA 2.023 56.763 54.840 -0.167 0.000 0.752 8 L CB -1.017 40.892 42.059 -0.250 0.000 0.899 8 L HN -0.148 nan 8.230 nan 0.000 0.433 9 K N -0.854 119.315 120.400 -0.384 0.000 2.515 9 K HA -0.010 4.316 4.320 0.009 0.000 0.196 9 K C 1.908 178.343 176.600 -0.275 0.000 1.038 9 K CA 0.635 56.699 56.287 -0.371 0.000 0.967 9 K CB -0.088 32.146 32.500 -0.443 0.000 0.780 9 K HN 0.504 nan 8.250 nan 0.000 0.483 10 A N 0.098 122.720 122.820 -0.330 0.000 1.897 10 A HA -0.113 4.213 4.320 0.009 0.000 0.215 10 A C 1.591 178.894 177.584 -0.468 0.000 1.181 10 A CA 1.024 52.797 52.037 -0.439 0.000 0.620 10 A CB -0.374 18.282 19.000 -0.574 0.000 0.821 10 A HN 0.293 nan 8.150 nan 0.000 0.443 11 Y N -1.757 118.495 120.300 -0.081 0.000 2.301 11 Y HA 0.257 4.813 4.550 0.009 0.000 0.295 11 Y C 1.095 176.929 175.900 -0.110 0.000 1.119 11 Y CA 0.812 58.854 58.100 -0.096 0.000 1.162 11 Y CB 0.311 38.696 38.460 -0.125 0.000 1.046 11 Y HN 0.098 nan 8.280 nan 0.000 0.538 12 V N 4.307 124.213 119.914 -0.015 0.000 2.276 12 V HA 0.424 4.550 4.120 0.009 0.000 0.268 12 V C -2.622 173.396 176.094 -0.127 0.000 1.032 12 V CA -2.654 59.610 62.300 -0.060 0.000 0.810 12 V CB 0.811 32.584 31.823 -0.083 0.000 1.060 12 V HN -0.097 nan 8.190 nan 0.000 0.446 13 P HA 0.236 nan 4.420 nan 0.000 0.279 13 P C 0.024 177.312 177.300 -0.020 0.000 1.282 13 P CA 0.400 63.447 63.100 -0.088 0.000 0.788 13 P CB 0.624 32.284 31.700 -0.067 0.000 1.139 14 E N -2.107 118.096 120.200 0.005 0.000 2.637 14 E HA -0.217 4.138 4.350 0.009 0.000 0.265 14 E C -0.567 176.117 176.600 0.141 0.000 1.073 14 E CA 0.166 56.618 56.400 0.086 0.000 0.778 14 E CB -1.980 27.793 29.700 0.121 0.000 1.362 14 E HN 0.156 nan 8.360 nan 0.000 0.413 15 L N 1.141 122.365 121.223 0.002 0.000 2.145 15 L HA 0.191 4.537 4.340 0.009 0.000 0.201 15 L C 0.647 177.584 176.870 0.111 0.000 1.075 15 L CA 1.662 56.442 54.840 -0.101 0.000 0.773 15 L CB -0.211 41.672 42.059 -0.293 0.000 0.936 15 L HN 0.325 nan 8.230 nan 0.000 0.451 16 E N 1.218 121.538 120.200 0.200 0.000 1.619 16 E HA -0.259 4.096 4.350 0.009 0.000 0.373 16 E C 0.077 176.805 176.600 0.214 0.000 0.595 16 E CA 1.102 57.664 56.400 0.271 0.000 1.375 16 E CB -0.678 29.118 29.700 0.159 0.000 0.301 16 E HN 0.458 nan 8.360 nan 0.000 0.368 17 S N 3.203 118.982 115.700 0.132 0.000 3.225 17 S HA -0.051 4.424 4.470 0.009 0.000 0.812 17 S C -1.957 172.532 174.600 -0.186 0.000 0.610 17 S CA -0.115 58.050 58.200 -0.059 0.000 1.518 17 S CB 0.017 63.223 63.200 0.009 0.000 1.023 17 S HN 0.297 nan 8.310 nan 0.000 0.891 18 P HA -0.031 nan 4.420 nan 0.000 0.222 18 P C 1.029 178.214 177.300 -0.191 0.000 1.147 18 P CA 1.353 64.068 63.100 -0.642 0.000 0.790 18 P CB 0.017 31.170 31.700 -0.912 0.000 0.780 19 E N -0.454 119.659 120.200 -0.146 0.000 2.076 19 E HA -0.060 4.296 4.350 0.009 0.000 0.190 19 E C 2.065 178.657 176.600 -0.013 0.000 0.979 19 E CA 0.488 56.849 56.400 -0.065 0.000 0.807 19 E CB -1.091 28.571 29.700 -0.062 0.000 0.761 19 E HN -0.044 nan 8.360 nan 0.000 0.454 20 V N 1.047 120.964 119.914 0.004 0.000 2.594 20 V HA -0.182 3.943 4.120 0.009 0.000 0.253 20 V C 1.950 178.089 176.094 0.075 0.000 1.069 20 V CA 1.199 63.529 62.300 0.050 0.000 1.082 20 V CB -0.136 31.733 31.823 0.076 0.000 0.680 20 V HN 0.210 nan 8.190 nan 0.000 0.469 21 L N 0.749 122.017 121.223 0.075 0.000 2.034 21 L HA -0.092 4.254 4.340 0.009 0.000 0.203 21 L C 2.555 179.466 176.870 0.068 0.000 1.074 21 L CA 2.509 57.403 54.840 0.090 0.000 0.748 21 L CB -0.895 41.267 42.059 0.172 0.000 0.905 21 L HN 0.539 nan 8.230 nan 0.000 0.439 22 E N -0.185 120.044 120.200 0.049 0.000 2.164 22 E HA -0.383 3.972 4.350 0.009 0.000 0.206 22 E C 1.983 178.610 176.600 0.045 0.000 1.032 22 E CA 2.193 58.617 56.400 0.039 0.000 0.832 22 E CB -0.567 29.139 29.700 0.010 0.000 0.742 22 E HN 0.726 nan 8.360 nan 0.000 0.460 23 E N -0.041 120.183 120.200 0.040 0.000 2.028 23 E HA -0.245 4.111 4.350 0.009 0.000 0.191 23 E C 2.302 178.933 176.600 0.051 0.000 0.988 23 E CA 1.034 57.457 56.400 0.038 0.000 0.799 23 E CB -0.071 29.651 29.700 0.037 0.000 0.755 23 E HN 0.083 nan 8.360 nan 0.000 0.447 24 R N 0.485 121.030 120.500 0.075 0.000 2.096 24 R HA -0.119 4.227 4.340 0.009 0.000 0.240 24 R C 2.384 178.738 176.300 0.091 0.000 1.139 24 R CA 1.571 57.730 56.100 0.097 0.000 0.952 24 R CB -0.755 29.626 30.300 0.134 0.000 0.854 24 R HN 0.292 nan 8.270 nan 0.000 0.436 25 L N -0.882 120.405 121.223 0.107 0.000 1.976 25 L HA -0.098 4.248 4.340 0.009 0.000 0.209 25 L C 2.432 179.366 176.870 0.108 0.000 1.071 25 L CA 1.560 56.509 54.840 0.181 0.000 0.746 25 L CB -0.796 41.392 42.059 0.215 0.000 0.890 25 L HN 0.208 nan 8.230 nan 0.000 0.432 26 A N 0.458 123.313 122.820 0.058 0.000 2.076 26 A HA -0.131 4.194 4.320 0.009 0.000 0.220 26 A C 2.335 179.869 177.584 -0.085 0.000 1.160 26 A CA 1.710 53.736 52.037 -0.019 0.000 0.653 26 A CB -1.176 17.821 19.000 -0.006 0.000 0.801 26 A HN 0.506 nan 8.150 nan 0.000 0.455 27 G N -0.850 107.922 108.800 -0.047 0.000 2.464 27 G HA2 0.013 3.978 3.960 0.009 0.000 0.217 27 G HA3 0.013 3.978 3.960 0.009 0.000 0.217 27 G C 1.404 176.224 174.900 -0.133 0.000 1.138 27 G CA 0.674 45.730 45.100 -0.072 0.000 0.793 27 G HN 0.440 nan 8.290 nan 0.000 0.539 28 L N -0.447 120.709 121.223 -0.112 0.000 2.341 28 L HA 0.251 4.597 4.340 0.009 0.000 0.214 28 L C 2.060 178.681 176.870 -0.415 0.000 1.115 28 L CA 0.873 55.621 54.840 -0.154 0.000 0.820 28 L CB 0.283 42.356 42.059 0.024 0.000 0.944 28 L HN 0.419 nan 8.230 nan 0.000 0.452 29 G N -1.019 107.477 108.800 -0.506 0.000 2.425 29 G HA2 -0.177 3.789 3.960 0.009 0.000 0.177 29 G HA3 -0.177 3.789 3.960 0.009 0.000 0.177 29 G C -0.049 174.382 174.900 -0.782 0.000 0.999 29 G CA -0.721 43.962 45.100 -0.694 0.000 0.723 29 G HN 0.104 nan 8.290 nan 0.000 0.491 30 F N 1.857 121.771 119.950 -0.060 0.000 2.334 30 F HA 0.643 5.175 4.527 0.009 0.000 0.367 30 F C 0.505 176.284 175.800 -0.036 0.000 1.115 30 F CA -1.058 56.915 58.000 -0.045 0.000 1.116 30 F CB 1.581 40.555 39.000 -0.042 0.000 1.230 30 F HN -0.107 nan 8.300 nan 0.000 0.484 31 E N 2.448 122.707 120.200 0.098 0.000 1.985 31 E HA 0.070 4.425 4.350 0.009 0.000 0.268 31 E C -0.249 176.389 176.600 0.064 0.000 1.219 31 E CA 0.003 56.435 56.400 0.053 0.000 0.942 31 E CB 0.052 29.765 29.700 0.023 0.000 1.045 31 E HN 0.408 nan 8.360 nan 0.000 0.413 32 T N 4.364 118.951 114.554 0.056 0.000 2.765 32 T HA -0.028 4.327 4.350 0.009 0.000 0.284 32 T C 0.639 175.352 174.700 0.022 0.000 0.946 32 T CA -0.029 62.093 62.100 0.038 0.000 1.185 32 T CB 0.355 69.240 68.868 0.029 0.000 0.887 32 T HN 0.384 nan 8.240 nan 0.000 0.532 33 D N 2.522 122.934 120.400 0.021 0.000 2.097 33 D HA 0.002 4.647 4.640 0.009 0.000 0.197 33 D C 1.202 177.506 176.300 0.007 0.000 0.984 33 D CA 1.274 55.282 54.000 0.014 0.000 0.826 33 D CB 0.321 41.130 40.800 0.015 0.000 0.973 33 D HN 0.655 nan 8.370 nan 0.000 0.460 34 R N -0.970 119.532 120.500 0.003 0.000 2.692 34 R HA 0.481 4.826 4.340 0.009 0.000 0.269 34 R C -1.705 174.589 176.300 -0.010 0.000 1.030 34 R CA -0.718 55.379 56.100 -0.004 0.000 0.882 34 R CB 0.918 31.217 30.300 -0.002 0.000 1.250 34 R HN -0.151 nan 8.270 nan 0.000 0.465 35 I N 1.264 121.822 120.570 -0.020 0.000 2.646 35 I HA 0.434 4.609 4.170 0.009 0.000 0.299 35 I C -0.612 175.483 176.117 -0.036 0.000 1.036 35 I CA -0.800 60.480 61.300 -0.034 0.000 1.074 35 I CB 2.279 40.250 38.000 -0.049 0.000 1.258 35 I HN 0.749 nan 8.210 nan 0.000 0.430 36 E N 3.743 123.915 120.200 -0.047 0.000 2.308 36 E HA 0.453 4.809 4.350 0.009 0.000 0.275 36 E C -1.180 175.377 176.600 -0.072 0.000 0.890 36 E CA -0.966 55.405 56.400 -0.049 0.000 0.754 36 E CB 3.184 32.859 29.700 -0.042 0.000 1.207 36 E HN 0.318 nan 8.360 nan 0.000 0.426 37 R N 1.353 121.815 120.500 -0.062 0.000 2.368 37 R HA 0.523 4.869 4.340 0.009 0.000 0.302 37 R C -0.855 175.398 176.300 -0.079 0.000 1.002 37 R CA -0.461 55.597 56.100 -0.071 0.000 0.929 37 R CB 1.133 31.409 30.300 -0.040 0.000 1.073 37 R HN 0.390 nan 8.270 nan 0.000 0.464 38 V N 0.876 120.700 119.914 -0.149 0.000 3.114 38 V HA 0.617 4.742 4.120 0.009 0.000 0.308 38 V C -0.294 175.744 176.094 -0.093 0.000 1.168 38 V CA -0.901 61.293 62.300 -0.178 0.000 1.015 38 V CB 1.678 33.251 31.823 -0.417 0.000 1.050 38 V HN 0.984 nan 8.190 nan 0.000 0.433 39 F N -1.824 118.198 119.950 0.121 0.000 2.585 39 F HA -0.071 4.462 4.527 0.009 0.000 0.282 39 F C -2.206 173.675 175.800 0.135 0.000 0.734 39 F CA -0.645 57.468 58.000 0.188 0.000 1.675 39 F CB -1.560 37.608 39.000 0.280 0.000 1.929 39 F HN 0.433 nan 8.300 nan 0.000 0.375 40 P HA 0.072 nan 4.420 nan 0.000 0.259 40 P C 0.081 177.447 177.300 0.110 0.000 1.635 40 P CA 0.347 63.532 63.100 0.141 0.000 1.199 40 P CB -0.110 31.644 31.700 0.091 0.000 1.850 41 I N 4.392 125.034 120.570 0.120 0.000 2.452 41 I HA 0.140 4.315 4.170 0.009 0.000 0.287 41 I C -1.634 174.501 176.117 0.031 0.000 1.079 41 I CA -2.407 58.925 61.300 0.054 0.000 1.387 41 I CB -0.018 38.019 38.000 0.061 0.000 1.404 41 I HN 0.052 nan 8.210 nan 0.000 0.522 42 P HA 0.152 nan 4.420 nan 0.000 0.270 42 P C 0.772 178.071 177.300 -0.001 0.000 1.227 42 P CA -0.249 62.850 63.100 -0.001 0.000 0.788 42 P CB 0.557 32.246 31.700 -0.019 0.000 0.926 43 R N 1.086 121.586 120.500 0.001 0.000 2.092 43 R HA -0.025 4.321 4.340 0.009 0.000 0.231 43 R C 2.061 178.358 176.300 -0.005 0.000 1.119 43 R CA 1.461 57.563 56.100 0.003 0.000 0.970 43 R CB -1.281 29.022 30.300 0.004 0.000 0.864 43 R HN 0.538 nan 8.270 nan 0.000 0.440 44 G N 1.360 110.150 108.800 -0.017 0.000 2.776 44 G HA2 0.004 3.969 3.960 0.009 0.000 0.209 44 G HA3 0.004 3.969 3.960 0.009 0.000 0.209 44 G C 0.329 175.208 174.900 -0.035 0.000 1.145 44 G CA -0.080 45.003 45.100 -0.029 0.000 0.791 44 G HN 0.055 nan 8.290 nan 0.000 0.530 45 V N 0.969 120.864 119.914 -0.032 0.000 2.348 45 V HA 0.452 4.578 4.120 0.009 0.000 0.270 45 V C -0.010 176.074 176.094 -0.017 0.000 1.037 45 V CA -0.590 61.687 62.300 -0.038 0.000 0.872 45 V CB 1.284 33.071 31.823 -0.060 0.000 1.002 45 V HN 0.047 nan 8.190 nan 0.000 0.464 46 V N 6.552 126.467 119.914 0.002 0.000 3.103 46 V HA 0.651 4.777 4.120 0.009 0.000 0.318 46 V C -1.008 175.135 176.094 0.083 0.000 1.114 46 V CA -0.875 61.451 62.300 0.043 0.000 1.020 46 V CB 2.126 33.973 31.823 0.041 0.000 1.085 46 V HN 0.657 nan 8.190 nan 0.000 0.446 47 F N 4.511 124.433 119.950 -0.045 0.000 2.371 47 F HA 0.801 5.334 4.527 0.009 0.000 0.363 47 F C 0.260 176.067 175.800 0.013 0.000 1.122 47 F CA -0.064 57.915 58.000 -0.035 0.000 1.129 47 F CB 0.330 39.279 39.000 -0.085 0.000 1.173 47 F HN 0.820 nan 8.300 nan 0.000 0.489 48 A N 6.803 129.288 122.820 -0.559 0.000 2.311 48 A HA 0.740 5.066 4.320 0.009 0.000 0.334 48 A C -0.583 176.581 177.584 -0.700 0.000 1.139 48 A CA -0.926 50.829 52.037 -0.470 0.000 0.830 48 A CB 0.972 19.851 19.000 -0.202 0.000 1.234 48 A HN 0.828 nan 8.150 nan 0.000 0.483 49 R N 0.748 121.011 120.500 -0.394 0.000 2.338 49 R HA 0.485 4.830 4.340 0.009 0.000 0.317 49 R C -1.229 174.985 176.300 -0.144 0.000 0.968 49 R CA -0.503 55.442 56.100 -0.258 0.000 0.849 49 R CB 1.599 31.831 30.300 -0.113 0.000 1.128 49 R HN 0.532 nan 8.270 nan 0.000 0.448 50 V N 6.084 125.929 119.914 -0.116 0.000 2.470 50 V HA 0.010 4.136 4.120 0.009 0.000 0.276 50 V C 0.948 177.007 176.094 -0.057 0.000 1.040 50 V CA 0.004 62.257 62.300 -0.079 0.000 1.008 50 V CB 1.020 32.797 31.823 -0.076 0.000 0.990 50 V HN 0.718 nan 8.190 nan 0.000 0.477 51 L N 3.035 124.231 121.223 -0.045 0.000 2.168 51 L HA 0.328 4.673 4.340 0.009 0.000 0.203 51 L C 0.960 177.800 176.870 -0.049 0.000 1.078 51 L CA 1.385 56.205 54.840 -0.034 0.000 0.780 51 L CB -0.160 41.890 42.059 -0.015 0.000 0.939 51 L HN 0.634 nan 8.230 nan 0.000 0.451 52 E N -1.567 118.592 120.200 -0.069 0.000 2.407 52 E HA 0.684 5.040 4.350 0.009 0.000 0.279 52 E C -1.543 174.939 176.600 -0.196 0.000 1.012 52 E CA -0.421 55.879 56.400 -0.167 0.000 0.800 52 E CB 2.217 31.795 29.700 -0.203 0.000 1.276 52 E HN -0.139 nan 8.360 nan 0.000 0.452 53 A N 2.080 124.713 122.820 -0.312 0.000 2.411 53 A HA 0.630 4.956 4.320 0.009 0.000 0.285 53 A C -1.483 175.931 177.584 -0.284 0.000 1.129 53 A CA -0.551 51.366 52.037 -0.201 0.000 0.736 53 A CB 0.232 19.160 19.000 -0.119 0.000 1.186 53 A HN 0.569 nan 8.150 nan 0.000 0.445 54 H N 2.955 122.016 119.070 -0.014 0.000 2.469 54 H HA 0.559 5.120 4.556 0.009 0.000 0.342 54 H C -2.408 172.913 175.328 -0.012 0.000 1.115 54 H CA -1.476 54.564 56.048 -0.012 0.000 1.204 54 H CB 1.801 31.556 29.762 -0.012 0.000 1.492 54 H HN 0.463 nan 8.280 nan 0.000 0.499 55 P HA 0.109 nan 4.420 nan 0.000 0.274 55 P C -0.391 176.941 177.300 0.053 0.000 1.231 55 P CA -0.121 63.013 63.100 0.056 0.000 0.790 55 P CB 1.368 33.088 31.700 0.033 0.000 0.951 56 I N 3.594 124.182 120.570 0.031 0.000 2.307 56 I HA 0.218 4.394 4.170 0.009 0.000 0.289 56 I C -2.018 174.106 176.117 0.011 0.000 1.021 56 I CA -2.637 58.674 61.300 0.018 0.000 1.224 56 I CB 0.905 38.913 38.000 0.013 0.000 1.376 56 I HN 0.116 nan 8.210 nan 0.000 0.470 57 P HA -0.150 nan 4.420 nan 0.000 0.263 57 P C 1.006 178.308 177.300 0.003 0.000 1.145 57 P CA 0.883 63.986 63.100 0.005 0.000 0.755 57 P CB 0.300 32.001 31.700 0.001 0.000 0.746 58 G N 1.964 110.765 108.800 0.003 0.000 2.280 58 G HA2 -0.276 3.689 3.960 0.009 0.000 0.282 58 G HA3 -0.276 3.689 3.960 0.009 0.000 0.282 58 G C 0.351 175.251 174.900 0.001 0.000 1.000 58 G CA 0.944 46.045 45.100 0.002 0.000 0.751 58 G HN 0.877 nan 8.290 nan 0.000 0.515 59 T N -4.889 109.666 114.554 0.001 0.000 2.907 59 T HA 0.691 5.046 4.350 0.009 0.000 0.290 59 T C 0.796 175.496 174.700 0.000 0.000 1.066 59 T CA -0.115 61.986 62.100 0.000 0.000 1.012 59 T CB 1.984 70.852 68.868 -0.001 0.000 1.184 59 T HN 0.157 nan 8.240 nan 0.000 0.522 60 R N 0.048 120.547 120.500 -0.002 0.000 2.193 60 R HA 0.201 4.546 4.340 0.009 0.000 0.213 60 R C 0.659 176.957 176.300 -0.004 0.000 1.055 60 R CA 0.455 56.553 56.100 -0.003 0.000 0.995 60 R CB -1.036 29.260 30.300 -0.006 0.000 0.893 60 R HN 0.570 nan 8.270 nan 0.000 0.459 61 L N 1.475 122.696 121.223 -0.003 0.000 2.483 61 L HA 0.139 4.485 4.340 0.009 0.000 0.275 61 L C -0.094 176.778 176.870 0.003 0.000 1.220 61 L CA 0.867 55.705 54.840 -0.003 0.000 0.833 61 L CB 0.135 42.193 42.059 -0.002 0.000 1.102 61 L HN 0.170 nan 8.230 nan 0.000 0.490 62 K N 1.502 121.904 120.400 0.002 0.000 2.378 62 K HA 0.384 4.709 4.320 0.009 0.000 0.252 62 K C -0.289 176.322 176.600 0.018 0.000 0.931 62 K CA -0.670 55.623 56.287 0.011 0.000 0.794 62 K CB 2.258 34.755 32.500 -0.005 0.000 1.181 62 K HN 0.355 nan 8.250 nan 0.000 0.425 63 R N 4.785 125.313 120.500 0.046 0.000 2.825 63 R HA 0.191 4.536 4.340 0.009 0.000 0.261 63 R C -0.972 175.376 176.300 0.080 0.000 1.341 63 R CA -0.459 55.677 56.100 0.060 0.000 1.353 63 R CB -0.287 30.054 30.300 0.069 0.000 1.191 63 R HN 0.518 nan 8.270 nan 0.000 0.590 64 L N 3.204 124.448 121.223 0.035 0.000 2.426 64 L HA 0.193 4.539 4.340 0.009 0.000 0.271 64 L C -0.088 176.804 176.870 0.036 0.000 1.169 64 L CA -0.255 54.596 54.840 0.018 0.000 0.836 64 L CB 1.308 43.358 42.059 -0.014 0.000 1.112 64 L HN 0.158 nan 8.230 nan 0.000 0.465 65 V N 4.821 124.755 119.914 0.034 0.000 2.357 65 V HA 0.453 4.578 4.120 0.009 0.000 0.284 65 V C 0.275 176.369 176.094 0.001 0.000 1.018 65 V CA -0.371 61.950 62.300 0.035 0.000 0.841 65 V CB 1.158 33.021 31.823 0.066 0.000 0.991 65 V HN 0.561 nan 8.190 nan 0.000 0.437 66 L N 3.427 124.647 121.223 -0.005 0.000 2.464 66 L HA 0.788 5.133 4.340 0.009 0.000 0.264 66 L C -0.484 176.372 176.870 -0.023 0.000 1.062 66 L CA -0.736 54.087 54.840 -0.027 0.000 0.935 66 L CB 1.569 43.611 42.059 -0.028 0.000 1.603 66 L HN 0.742 nan 8.230 nan 0.000 0.528 67 D N -0.023 120.355 120.400 -0.037 0.000 2.333 67 D HA 0.198 4.843 4.640 0.009 0.000 0.225 67 D C -1.058 175.229 176.300 -0.021 0.000 1.345 67 D CA -0.399 53.588 54.000 -0.021 0.000 0.971 67 D CB 1.454 42.245 40.800 -0.016 0.000 1.451 67 D HN 0.527 nan 8.370 nan 0.000 0.561 68 A N 1.829 124.655 122.820 0.011 0.000 3.105 68 A HA 0.596 4.922 4.320 0.009 0.000 0.272 68 A C 1.583 179.192 177.584 0.041 0.000 1.466 68 A CA 0.221 52.275 52.037 0.029 0.000 1.101 68 A CB -0.946 18.096 19.000 0.069 0.000 1.065 68 A HN 1.465 nan 8.150 nan 0.000 0.643 69 G N 0.552 109.370 108.800 0.030 0.000 2.153 69 G HA2 -0.267 3.698 3.960 0.009 0.000 0.252 69 G HA3 -0.267 3.698 3.960 0.009 0.000 0.252 69 G C 0.079 174.989 174.900 0.017 0.000 0.994 69 G CA 0.434 45.553 45.100 0.031 0.000 0.698 69 G HN 1.524 nan 8.290 nan 0.000 0.521 70 R N -0.933 119.571 120.500 0.007 0.000 3.146 70 R HA 0.441 4.787 4.340 0.009 0.000 0.235 70 R C 0.135 176.415 176.300 -0.034 0.000 1.624 70 R CA -0.188 55.903 56.100 -0.016 0.000 0.995 70 R CB -1.286 29.003 30.300 -0.019 0.000 1.490 70 R HN 0.683 nan 8.270 nan 0.000 0.434 71 T N 0.109 114.644 114.554 -0.033 0.000 2.588 71 T HA 0.199 4.554 4.350 0.009 0.000 0.236 71 T C 0.642 175.302 174.700 -0.067 0.000 1.027 71 T CA 0.218 62.296 62.100 -0.037 0.000 1.167 71 T CB -0.053 68.796 68.868 -0.031 0.000 1.014 71 T HN 0.865 nan 8.240 nan 0.000 0.476 72 V N -0.490 119.400 119.914 -0.040 0.000 3.048 72 V HA 0.693 4.818 4.120 0.009 0.000 0.303 72 V C -0.661 175.446 176.094 0.023 0.000 1.214 72 V CA -1.476 60.796 62.300 -0.047 0.000 0.984 72 V CB 1.890 33.684 31.823 -0.049 0.000 1.054 72 V HN 0.896 nan 8.190 nan 0.000 0.430 73 E N 1.134 121.352 120.200 0.030 0.000 2.280 73 E HA 0.878 5.233 4.350 0.009 0.000 0.261 73 E C -1.062 175.591 176.600 0.089 0.000 1.088 73 E CA -0.770 55.661 56.400 0.051 0.000 0.915 73 E CB 2.077 31.799 29.700 0.036 0.000 1.141 73 E HN 0.645 nan 8.360 nan 0.000 0.433 74 V N 0.931 120.880 119.914 0.058 0.000 2.966 74 V HA 0.170 4.295 4.120 0.009 0.000 0.288 74 V C -1.432 174.675 176.094 0.023 0.000 1.380 74 V CA -0.965 61.362 62.300 0.045 0.000 0.966 74 V CB 2.116 33.957 31.823 0.030 0.000 1.115 74 V HN 0.479 nan 8.190 nan 0.000 0.436 75 V N 3.005 122.927 119.914 0.015 0.000 2.394 75 V HA 0.922 5.047 4.120 0.009 0.000 0.282 75 V C -0.030 176.059 176.094 -0.009 0.000 1.031 75 V CA 0.432 62.736 62.300 0.007 0.000 0.881 75 V CB 1.557 33.386 31.823 0.009 0.000 0.982 75 V HN 1.066 nan 8.190 nan 0.000 0.451 76 S N 3.720 119.411 115.700 -0.014 0.000 2.648 76 S HA 0.818 5.293 4.470 0.009 0.000 0.305 76 S C 0.863 175.448 174.600 -0.025 0.000 1.094 76 S CA 0.066 58.249 58.200 -0.027 0.000 0.983 76 S CB 1.760 64.938 63.200 -0.037 0.000 1.101 76 S HN 1.320 nan 8.310 nan 0.000 0.514 77 G N 0.646 109.426 108.800 -0.033 0.000 2.781 77 G HA2 0.480 4.446 3.960 0.009 0.000 0.208 77 G HA3 0.480 4.446 3.960 0.009 0.000 0.208 77 G C 0.509 175.389 174.900 -0.033 0.000 1.099 77 G CA 0.430 45.513 45.100 -0.029 0.000 0.776 77 G HN 1.079 nan 8.290 nan 0.000 0.532 78 A N 0.595 123.388 122.820 -0.045 0.000 2.547 78 A HA 0.258 4.583 4.320 0.009 0.000 0.233 78 A C 1.156 178.718 177.584 -0.036 0.000 1.067 78 A CA 0.667 52.673 52.037 -0.050 0.000 0.763 78 A CB 0.373 19.331 19.000 -0.071 0.000 1.007 78 A HN 0.364 nan 8.150 nan 0.000 0.506 79 E N 0.926 121.111 120.200 -0.027 0.000 2.028 79 E HA -0.183 4.173 4.350 0.009 0.000 0.190 79 E C 1.604 178.191 176.600 -0.021 0.000 0.984 79 E CA 1.156 57.546 56.400 -0.016 0.000 0.800 79 E CB -0.173 29.527 29.700 -0.001 0.000 0.758 79 E HN 0.915 nan 8.360 nan 0.000 0.448 80 N N 1.124 119.811 118.700 -0.021 0.000 2.588 80 N HA -0.135 4.610 4.740 0.009 0.000 0.190 80 N C 0.202 175.684 175.510 -0.047 0.000 1.094 80 N CA 0.714 53.745 53.050 -0.031 0.000 0.921 80 N CB -0.383 38.087 38.487 -0.029 0.000 0.959 80 N HN -0.041 nan 8.380 nan 0.000 0.448 81 A N 1.699 124.490 122.820 -0.048 0.000 2.535 81 A HA 0.114 4.439 4.320 0.009 0.000 0.290 81 A C 0.677 178.230 177.584 -0.052 0.000 1.270 81 A CA -0.304 51.701 52.037 -0.053 0.000 0.937 81 A CB -0.595 18.377 19.000 -0.046 0.000 1.096 81 A HN 0.639 nan 8.150 nan 0.000 0.534 82 R N 1.842 122.307 120.500 -0.059 0.000 2.781 82 R HA 0.539 4.884 4.340 0.009 0.000 0.269 82 R C -0.537 175.724 176.300 -0.065 0.000 1.025 82 R CA -1.035 55.029 56.100 -0.061 0.000 0.914 82 R CB 0.944 31.213 30.300 -0.051 0.000 1.236 82 R HN 0.450 nan 8.270 nan 0.000 0.465 83 K N 0.069 120.426 120.400 -0.071 0.000 2.219 83 K HA 0.299 4.624 4.320 0.009 0.000 0.258 83 K C 0.481 177.052 176.600 -0.049 0.000 1.008 83 K CA 0.910 57.157 56.287 -0.067 0.000 0.928 83 K CB 0.629 33.081 32.500 -0.079 0.000 0.983 83 K HN 0.878 nan 8.250 nan 0.000 0.484 84 G N 1.751 110.527 108.800 -0.039 0.000 2.258 84 G HA2 -0.235 3.731 3.960 0.009 0.000 0.233 84 G HA3 -0.235 3.731 3.960 0.009 0.000 0.233 84 G C 0.330 175.223 174.900 -0.011 0.000 1.006 84 G CA 0.282 45.369 45.100 -0.022 0.000 0.620 84 G HN 0.782 nan 8.290 nan 0.000 0.511 85 I N -0.417 120.137 120.570 -0.027 0.000 3.062 85 I HA 0.833 5.009 4.170 0.009 0.000 0.316 85 I C 0.791 176.901 176.117 -0.012 0.000 1.041 85 I CA -0.812 60.481 61.300 -0.012 0.000 1.069 85 I CB 1.449 39.419 38.000 -0.050 0.000 1.300 85 I HN 0.210 nan 8.210 nan 0.000 0.518 86 G N 1.329 110.175 108.800 0.075 0.000 2.367 86 G HA2 0.601 4.566 3.960 0.009 0.000 0.314 86 G HA3 0.601 4.566 3.960 0.009 0.000 0.314 86 G C -0.590 174.352 174.900 0.070 0.000 1.130 86 G CA -0.487 44.659 45.100 0.077 0.000 0.864 86 G HN 0.609 nan 8.290 nan 0.000 0.486 87 V N -0.219 119.656 119.914 -0.065 0.000 3.158 87 V HA 0.856 4.982 4.120 0.009 0.000 0.311 87 V C 0.137 176.342 176.094 0.186 0.000 1.181 87 V CA -1.262 61.045 62.300 0.012 0.000 1.054 87 V CB 1.735 33.504 31.823 -0.089 0.000 1.085 87 V HN 1.122 nan 8.190 nan 0.000 0.446 88 A N 2.004 124.943 122.820 0.197 0.000 2.412 88 A HA 0.655 4.980 4.320 0.009 0.000 0.334 88 A C -0.568 177.023 177.584 0.010 0.000 1.419 88 A CA -0.272 51.856 52.037 0.152 0.000 0.930 88 A CB 0.053 19.148 19.000 0.158 0.000 1.149 88 A HN 0.869 nan 8.150 nan 0.000 0.515 89 L N 3.137 124.350 121.223 -0.017 0.000 2.290 89 L HA 0.553 4.899 4.340 0.009 0.000 0.284 89 L C 0.467 177.305 176.870 -0.054 0.000 1.078 89 L CA -0.329 54.487 54.840 -0.041 0.000 0.815 89 L CB 1.305 43.342 42.059 -0.037 0.000 1.162 89 L HN 0.657 nan 8.230 nan 0.000 0.435 90 A N 7.292 130.067 122.820 -0.075 0.000 2.910 90 A HA 0.348 4.674 4.320 0.009 0.000 0.316 90 A C 0.269 177.772 177.584 -0.134 0.000 1.493 90 A CA -0.574 51.410 52.037 -0.089 0.000 1.150 90 A CB -0.385 18.564 19.000 -0.085 0.000 1.159 90 A HN 0.818 nan 8.150 nan 0.000 0.526 91 L N 2.473 123.608 121.223 -0.147 0.000 2.621 91 L HA -0.034 4.311 4.340 0.009 0.000 0.313 91 L C -1.534 175.153 176.870 -0.305 0.000 1.277 91 L CA -0.441 54.245 54.840 -0.257 0.000 0.857 91 L CB 0.130 42.088 42.059 -0.169 0.000 1.093 91 L HN 0.452 nan 8.230 nan 0.000 0.527 92 P HA 0.038 nan 4.420 nan 0.000 0.268 92 P C 0.143 177.322 177.300 -0.202 0.000 1.204 92 P CA 0.402 63.295 63.100 -0.345 0.000 0.768 92 P CB 0.858 32.285 31.700 -0.455 0.000 0.842 93 G N 1.542 110.263 108.800 -0.131 0.000 2.734 93 G HA2 -0.085 3.880 3.960 0.009 0.000 0.277 93 G HA3 -0.085 3.880 3.960 0.009 0.000 0.277 93 G C -0.390 174.462 174.900 -0.079 0.000 1.099 93 G CA -0.447 44.602 45.100 -0.084 0.000 1.218 93 G HN 0.708 nan 8.290 nan 0.000 0.554 94 T N 1.136 115.646 114.554 -0.074 0.000 3.172 94 T HA 0.368 4.724 4.350 0.009 0.000 0.320 94 T C -0.458 174.211 174.700 -0.051 0.000 1.085 94 T CA -0.682 61.382 62.100 -0.061 0.000 1.052 94 T CB 1.731 70.556 68.868 -0.072 0.000 1.107 94 T HN 0.388 nan 8.240 nan 0.000 0.458 95 E N 3.155 123.333 120.200 -0.037 0.000 2.152 95 E HA 0.402 4.758 4.350 0.009 0.000 0.285 95 E C -0.696 175.887 176.600 -0.029 0.000 1.043 95 E CA -0.299 56.083 56.400 -0.030 0.000 0.839 95 E CB 1.022 30.709 29.700 -0.021 0.000 1.069 95 E HN 0.416 nan 8.360 nan 0.000 0.399 96 L N 5.142 126.346 121.223 -0.031 0.000 2.334 96 L HA 0.306 4.651 4.340 0.009 0.000 0.276 96 L C -1.848 175.008 176.870 -0.023 0.000 1.014 96 L CA -2.023 52.798 54.840 -0.031 0.000 0.815 96 L CB 1.560 43.594 42.059 -0.043 0.000 1.268 96 L HN 0.295 nan 8.230 nan 0.000 0.428 97 P HA -0.121 nan 4.420 nan 0.000 0.202 97 P C 1.369 178.663 177.300 -0.011 0.000 1.171 97 P CA 1.177 64.273 63.100 -0.008 0.000 0.925 97 P CB 0.133 31.834 31.700 0.001 0.000 0.760 98 G N -0.406 108.386 108.800 -0.014 0.000 2.475 98 G HA2 -0.262 3.704 3.960 0.009 0.000 0.220 98 G HA3 -0.262 3.704 3.960 0.009 0.000 0.220 98 G C 1.578 176.465 174.900 -0.022 0.000 1.125 98 G CA 0.503 45.593 45.100 -0.016 0.000 0.755 98 G HN 0.209 nan 8.290 nan 0.000 0.565 99 L N -0.225 120.981 121.223 -0.029 0.000 2.109 99 L HA 0.151 4.497 4.340 0.009 0.000 0.207 99 L C 2.503 179.359 176.870 -0.024 0.000 1.086 99 L CA 1.564 56.385 54.840 -0.031 0.000 0.760 99 L CB -0.267 41.769 42.059 -0.039 0.000 0.910 99 L HN 0.425 nan 8.230 nan 0.000 0.437 100 G N -0.787 108.001 108.800 -0.020 0.000 2.674 100 G HA2 -0.458 3.508 3.960 0.009 0.000 0.236 100 G HA3 -0.458 3.508 3.960 0.009 0.000 0.236 100 G C 0.461 175.350 174.900 -0.018 0.000 1.178 100 G CA 0.806 45.896 45.100 -0.016 0.000 0.721 100 G HN 0.478 nan 8.290 nan 0.000 0.515 101 Q N 1.272 121.059 119.800 -0.022 0.000 2.316 101 Q HA 0.651 4.997 4.340 0.009 0.000 0.215 101 Q C 0.345 176.327 176.000 -0.029 0.000 1.020 101 Q CA 0.114 55.903 55.803 -0.024 0.000 0.970 101 Q CB 0.562 29.285 28.738 -0.025 0.000 1.187 101 Q HN 0.588 nan 8.270 nan 0.000 0.546 102 K N 0.587 120.968 120.400 -0.031 0.000 2.156 102 K HA 0.505 4.830 4.320 0.009 0.000 0.254 102 K C -1.144 175.428 176.600 -0.047 0.000 0.950 102 K CA -0.812 55.452 56.287 -0.038 0.000 0.849 102 K CB 1.240 33.719 32.500 -0.034 0.000 1.100 102 K HN 0.484 nan 8.250 nan 0.000 0.434 103 V N 1.736 121.613 119.914 -0.060 0.000 2.953 103 V HA 0.619 4.745 4.120 0.009 0.000 0.304 103 V C 0.784 176.826 176.094 -0.086 0.000 1.073 103 V CA -0.114 62.140 62.300 -0.076 0.000 1.064 103 V CB 1.241 33.006 31.823 -0.096 0.000 1.047 103 V HN 1.023 nan 8.190 nan 0.000 0.478 104 G N 1.059 109.802 108.800 -0.094 0.000 2.645 104 G HA2 0.483 4.449 3.960 0.009 0.000 0.292 104 G HA3 0.483 4.449 3.960 0.009 0.000 0.292 104 G C -1.471 173.364 174.900 -0.107 0.000 1.415 104 G CA -0.582 44.460 45.100 -0.095 0.000 0.785 104 G HN 0.596 nan 8.290 nan 0.000 0.483 105 E N -0.028 120.123 120.200 -0.082 0.000 2.259 105 E HA 0.442 4.797 4.350 0.009 0.000 0.281 105 E C 0.102 176.701 176.600 -0.003 0.000 1.037 105 E CA -0.321 56.060 56.400 -0.033 0.000 0.854 105 E CB 0.811 30.542 29.700 0.052 0.000 1.051 105 E HN 0.542 nan 8.360 nan 0.000 0.409 106 R N 2.216 122.720 120.500 0.006 0.000 2.740 106 R HA 0.405 4.751 4.340 0.009 0.000 0.273 106 R C -1.797 174.512 176.300 0.015 0.000 0.998 106 R CA -0.731 55.372 56.100 0.005 0.000 0.900 106 R CB 1.484 31.777 30.300 -0.012 0.000 1.223 106 R HN 0.272 nan 8.270 nan 0.000 0.466 107 V N 4.929 124.849 119.914 0.011 0.000 2.364 107 V HA 0.388 4.514 4.120 0.009 0.000 0.272 107 V C -0.010 176.087 176.094 0.004 0.000 1.036 107 V CA -0.461 61.845 62.300 0.011 0.000 0.880 107 V CB 1.002 32.829 31.823 0.008 0.000 0.991 107 V HN 0.557 nan 8.190 nan 0.000 0.460 108 I N 4.146 124.719 120.570 0.005 0.000 2.448 108 I HA 0.416 4.592 4.170 0.009 0.000 0.281 108 I C 0.230 176.348 176.117 0.001 0.000 1.027 108 I CA -0.792 60.509 61.300 0.001 0.000 1.111 108 I CB 1.459 39.458 38.000 -0.001 0.000 1.236 108 I HN 0.538 nan 8.210 nan 0.000 0.452 109 Q N 4.414 124.213 119.800 -0.001 0.000 2.457 109 Q HA -0.225 4.121 4.340 0.009 0.000 0.283 109 Q C 0.917 176.916 176.000 -0.002 0.000 1.234 109 Q CA 1.554 57.356 55.803 -0.001 0.000 0.877 109 Q CB -1.212 27.525 28.738 -0.001 0.000 1.250 109 Q HN 1.266 nan 8.270 nan 0.000 0.481 110 G N -3.564 105.235 108.800 -0.002 0.000 2.238 110 G HA2 -0.243 3.723 3.960 0.009 0.000 0.217 110 G HA3 -0.243 3.723 3.960 0.009 0.000 0.217 110 G C 0.053 174.951 174.900 -0.003 0.000 0.996 110 G CA 0.056 45.154 45.100 -0.004 0.000 0.632 110 G HN 0.994 nan 8.290 nan 0.000 0.503 111 V N -0.924 118.991 119.914 0.001 0.000 2.850 111 V HA 0.776 4.902 4.120 0.009 0.000 0.315 111 V C 0.461 176.564 176.094 0.015 0.000 1.064 111 V CA -1.360 60.944 62.300 0.005 0.000 0.979 111 V CB 1.659 33.488 31.823 0.009 0.000 1.039 111 V HN 0.257 nan 8.190 nan 0.000 0.452 112 R N 1.253 121.767 120.500 0.023 0.000 2.233 112 R HA 0.429 4.774 4.340 0.009 0.000 0.334 112 R C -0.212 176.132 176.300 0.073 0.000 1.037 112 R CA -0.070 56.057 56.100 0.044 0.000 0.920 112 R CB 1.351 31.677 30.300 0.042 0.000 1.137 112 R HN 0.752 nan 8.270 nan 0.000 0.492 113 S N 3.439 119.179 115.700 0.067 0.000 2.416 113 S HA 0.111 4.587 4.470 0.009 0.000 0.287 113 S C -0.243 174.426 174.600 0.116 0.000 1.139 113 S CA -0.556 57.689 58.200 0.075 0.000 1.058 113 S CB 0.096 63.312 63.200 0.027 0.000 0.967 113 S HN 0.475 nan 8.310 nan 0.000 0.495 114 F N 6.606 126.545 119.950 -0.019 0.000 2.666 114 F HA 0.487 5.020 4.527 0.009 0.000 0.362 114 F C 1.102 176.889 175.800 -0.021 0.000 1.190 114 F CA 0.659 58.648 58.000 -0.018 0.000 1.328 114 F CB -0.907 38.082 39.000 -0.018 0.000 1.682 114 F HN 0.887 nan 8.300 nan 0.000 0.623 115 G N 2.997 111.641 108.800 -0.260 0.000 2.715 115 G HA2 -0.021 3.944 3.960 0.009 0.000 0.221 115 G HA3 -0.021 3.944 3.960 0.009 0.000 0.221 115 G C -0.537 174.291 174.900 -0.120 0.000 1.204 115 G CA -0.230 44.717 45.100 -0.255 0.000 1.063 115 G HN 1.075 nan 8.290 nan 0.000 0.586 116 M N -2.004 117.539 119.600 -0.096 0.000 2.813 116 M HA 0.704 5.189 4.480 0.009 0.000 0.266 116 M C -0.770 175.492 176.300 -0.064 0.000 0.943 116 M CA -0.161 55.100 55.300 -0.064 0.000 0.821 116 M CB 0.899 33.461 32.600 -0.064 0.000 1.732 116 M HN 2.431 nan 8.290 nan 0.000 0.571 117 A N 3.449 126.235 122.820 -0.057 0.000 2.331 117 A HA 0.835 5.161 4.320 0.009 0.000 0.283 117 A C -0.600 176.940 177.584 -0.072 0.000 1.142 117 A CA -0.692 51.308 52.037 -0.062 0.000 0.812 117 A CB 0.384 19.346 19.000 -0.064 0.000 1.074 117 A HN 0.801 nan 8.150 nan 0.000 0.497 118 L N 1.930 123.108 121.223 -0.075 0.000 2.360 118 L HA 0.580 4.925 4.340 0.009 0.000 0.271 118 L C 0.966 177.771 176.870 -0.108 0.000 1.057 118 L CA -0.568 54.219 54.840 -0.090 0.000 0.803 118 L CB 1.556 43.561 42.059 -0.090 0.000 1.207 118 L HN 0.825 nan 8.230 nan 0.000 0.445 119 S N 0.751 116.376 115.700 -0.125 0.000 2.707 119 S HA 0.498 4.973 4.470 0.009 0.000 0.276 119 S C -2.085 172.435 174.600 -0.134 0.000 1.179 119 S CA -1.213 56.894 58.200 -0.154 0.000 0.992 119 S CB 1.761 64.838 63.200 -0.204 0.000 1.030 119 S HN 0.369 nan 8.310 nan 0.000 0.554 120 P HA -0.093 nan 4.420 nan 0.000 0.211 120 P C 1.756 178.975 177.300 -0.134 0.000 1.179 120 P CA 1.170 64.204 63.100 -0.110 0.000 0.910 120 P CB -0.129 31.628 31.700 0.094 0.000 0.785 121 R N 0.640 121.094 120.500 -0.077 0.000 2.119 121 R HA -0.222 4.123 4.340 0.009 0.000 0.246 121 R C 1.951 178.208 176.300 -0.073 0.000 1.146 121 R CA 1.902 57.968 56.100 -0.056 0.000 0.962 121 R CB -0.628 29.649 30.300 -0.038 0.000 0.863 121 R HN 0.223 nan 8.270 nan 0.000 0.442 122 E N 0.366 120.511 120.200 -0.092 0.000 2.038 122 E HA -0.235 4.120 4.350 0.009 0.000 0.195 122 E C 2.047 178.597 176.600 -0.084 0.000 1.000 122 E CA 1.457 57.807 56.400 -0.083 0.000 0.803 122 E CB -0.230 29.416 29.700 -0.092 0.000 0.750 122 E HN 0.249 nan 8.360 nan 0.000 0.448 123 L N -0.143 121.013 121.223 -0.111 0.000 2.056 123 L HA -0.010 4.336 4.340 0.009 0.000 0.207 123 L C 1.259 178.068 176.870 -0.102 0.000 1.078 123 L CA 2.266 57.030 54.840 -0.126 0.000 0.749 123 L CB -0.285 41.655 42.059 -0.198 0.000 0.901 123 L HN 0.306 nan 8.230 nan 0.000 0.433 124 G N -1.671 107.065 108.800 -0.107 0.000 2.309 124 G HA2 -0.143 3.822 3.960 0.009 0.000 0.183 124 G HA3 -0.143 3.822 3.960 0.009 0.000 0.183 124 G C 0.426 175.304 174.900 -0.036 0.000 1.063 124 G CA 0.279 45.349 45.100 -0.050 0.000 0.768 124 G HN 0.851 nan 8.290 nan 0.000 0.490 125 V N -2.706 117.100 119.914 -0.180 0.000 3.528 125 V HA 0.757 4.883 4.120 0.009 0.000 0.294 125 V C 1.040 176.980 176.094 -0.257 0.000 1.404 125 V CA 0.620 62.782 62.300 -0.230 0.000 1.065 125 V CB 0.480 31.898 31.823 -0.674 0.000 0.904 125 V HN 1.905 nan 8.190 nan 0.000 0.435 126 G N -0.320 108.409 108.800 -0.119 0.000 2.442 126 G HA2 0.348 4.314 3.960 0.009 0.000 0.296 126 G HA3 0.348 4.314 3.960 0.009 0.000 0.296 126 G C -0.610 174.368 174.900 0.129 0.000 1.564 126 G CA -0.528 44.638 45.100 0.111 0.000 0.828 126 G HN 0.053 nan 8.290 nan 0.000 0.571 127 E N -0.107 120.192 120.200 0.164 0.000 2.405 127 E HA -0.026 4.330 4.350 0.009 0.000 0.194 127 E C -0.407 176.312 176.600 0.199 0.000 1.149 127 E CA 0.055 56.538 56.400 0.138 0.000 0.933 127 E CB 0.064 29.833 29.700 0.115 0.000 1.028 127 E HN 0.336 nan 8.360 nan 0.000 0.487 128 Y N 0.489 120.841 120.300 0.087 0.000 2.595 128 Y HA 0.361 4.917 4.550 0.009 0.000 0.347 128 Y C 0.969 176.893 175.900 0.039 0.000 1.025 128 Y CA -1.338 56.806 58.100 0.074 0.000 1.295 128 Y CB 0.625 39.154 38.460 0.115 0.000 1.147 128 Y HN -0.077 nan 8.280 nan 0.000 0.515 129 G N 2.877 111.562 108.800 -0.191 0.000 3.284 129 G HA2 0.133 4.099 3.960 0.009 0.000 0.236 129 G HA3 0.133 4.099 3.960 0.009 0.000 0.236 129 G C 0.803 175.465 174.900 -0.397 0.000 1.158 129 G CA 0.118 45.055 45.100 -0.273 0.000 0.774 129 G HN 0.851 nan 8.290 nan 0.000 0.545 130 G N 0.055 108.406 108.800 -0.748 0.000 4.420 130 G HA2 0.550 4.515 3.960 0.009 0.000 0.299 130 G HA3 0.550 4.515 3.960 0.009 0.000 0.299 130 G C 0.211 174.774 174.900 -0.563 0.000 1.343 130 G CA 0.065 44.877 45.100 -0.481 0.000 1.272 130 G HN 0.851 nan 8.290 nan 0.000 0.610 131 G N 0.140 108.623 108.800 -0.528 0.000 2.282 131 G HA2 0.227 4.192 3.960 0.009 0.000 0.274 131 G HA3 0.227 4.192 3.960 0.009 0.000 0.274 131 G C -0.339 174.434 174.900 -0.212 0.000 1.718 131 G CA -1.171 43.764 45.100 -0.276 0.000 0.927 131 G HN 0.402 nan 8.290 nan 0.000 0.733 132 L N 1.500 122.639 121.223 -0.139 0.000 2.479 132 L HA 0.322 4.667 4.340 0.009 0.000 0.270 132 L C 1.151 177.932 176.870 -0.148 0.000 1.236 132 L CA -0.429 54.329 54.840 -0.137 0.000 0.823 132 L CB 0.166 42.149 42.059 -0.126 0.000 1.098 132 L HN 0.401 nan 8.230 nan 0.000 0.500 133 L N 1.132 122.231 121.223 -0.206 0.000 2.452 133 L HA 0.212 4.557 4.340 0.009 0.000 0.267 133 L C 0.178 176.685 176.870 -0.604 0.000 1.188 133 L CA 0.085 54.713 54.840 -0.354 0.000 0.821 133 L CB 0.372 42.220 42.059 -0.352 0.000 1.102 133 L HN 0.622 nan 8.230 nan 0.000 0.470 134 E N 2.480 122.275 120.200 -0.676 0.000 2.235 134 E HA 0.414 4.769 4.350 0.009 0.000 0.252 134 E C -1.498 174.774 176.600 -0.547 0.000 0.886 134 E CA -0.292 55.789 56.400 -0.531 0.000 0.767 134 E CB 1.230 30.787 29.700 -0.239 0.000 1.205 134 E HN 0.247 nan 8.360 nan 0.000 0.421 135 F N 2.738 122.738 119.950 0.083 0.000 2.538 135 F HA 0.463 4.995 4.527 0.009 0.000 0.325 135 F C -1.987 173.885 175.800 0.120 0.000 1.066 135 F CA -2.904 55.167 58.000 0.118 0.000 0.946 135 F CB 0.914 40.062 39.000 0.248 0.000 1.199 135 F HN 0.213 nan 8.300 nan 0.000 0.473 136 P HA -0.034 nan 4.420 nan 0.000 0.261 136 P C 0.215 177.672 177.300 0.262 0.000 1.183 136 P CA 0.282 63.479 63.100 0.161 0.000 0.761 136 P CB 0.625 32.374 31.700 0.083 0.000 0.785 137 E N 2.949 123.270 120.200 0.200 0.000 2.273 137 E HA -0.249 4.107 4.350 0.009 0.000 0.198 137 E C 0.836 177.609 176.600 0.289 0.000 1.002 137 E CA 1.508 58.048 56.400 0.235 0.000 0.828 137 E CB -0.518 29.244 29.700 0.102 0.000 0.747 137 E HN 0.435 nan 8.360 nan 0.000 0.491 138 D N 0.754 121.265 120.400 0.186 0.000 2.349 138 D HA 0.034 4.680 4.640 0.009 0.000 0.215 138 D C 1.683 178.023 176.300 0.067 0.000 1.016 138 D CA 0.695 54.773 54.000 0.128 0.000 0.870 138 D CB -0.008 40.831 40.800 0.065 0.000 0.917 138 D HN 0.282 nan 8.370 nan 0.000 0.524 139 A N 1.492 124.326 122.820 0.024 0.000 1.970 139 A HA -0.182 4.144 4.320 0.009 0.000 0.227 139 A C 1.194 178.544 177.584 -0.390 0.000 1.568 139 A CA 1.495 53.385 52.037 -0.246 0.000 0.813 139 A CB -0.979 17.745 19.000 -0.460 0.000 0.833 139 A HN 0.393 nan 8.150 nan 0.000 0.492 140 L N -2.203 118.557 121.223 -0.772 0.000 2.341 140 L HA 0.457 4.802 4.340 0.009 0.000 0.267 140 L C -2.710 174.098 176.870 -0.104 0.000 1.009 140 L CA -2.486 52.077 54.840 -0.462 0.000 0.819 140 L CB 1.605 43.304 42.059 -0.599 0.000 1.323 140 L HN -0.050 nan 8.230 nan 0.000 0.425 141 P HA 0.006 nan 4.420 nan 0.000 0.255 141 P C -2.393 175.017 177.300 0.182 0.000 1.173 141 P CA -0.428 62.720 63.100 0.080 0.000 0.780 141 P CB -0.304 31.419 31.700 0.039 0.000 0.758 142 P HA -0.100 nan 4.420 nan 0.000 0.249 142 P C 1.098 178.482 177.300 0.141 0.000 1.140 142 P CA 1.882 65.111 63.100 0.216 0.000 0.803 142 P CB -0.326 31.440 31.700 0.110 0.000 0.745 143 G N 1.903 110.797 108.800 0.155 0.000 2.278 143 G HA2 -0.204 3.761 3.960 0.009 0.000 0.210 143 G HA3 -0.204 3.761 3.960 0.009 0.000 0.210 143 G C 0.355 175.315 174.900 0.099 0.000 1.000 143 G CA 0.047 45.207 45.100 0.101 0.000 0.635 143 G HN 0.716 nan 8.290 nan 0.000 0.495 144 T N 1.024 115.645 114.554 0.111 0.000 2.903 144 T HA 0.513 4.868 4.350 0.009 0.000 0.314 144 T C -1.767 172.974 174.700 0.068 0.000 1.078 144 T CA -0.477 61.663 62.100 0.067 0.000 1.114 144 T CB 1.532 70.419 68.868 0.033 0.000 0.987 144 T HN 0.167 nan 8.240 nan 0.000 0.548 145 P HA 0.120 nan 4.420 nan 0.000 0.272 145 P C 0.659 177.967 177.300 0.014 0.000 1.254 145 P CA -0.596 62.521 63.100 0.028 0.000 0.795 145 P CB 0.350 32.062 31.700 0.020 0.000 1.022 146 L N 1.084 122.302 121.223 -0.009 0.000 2.253 146 L HA -0.052 4.293 4.340 0.009 0.000 0.205 146 L C 2.081 178.957 176.870 0.009 0.000 1.078 146 L CA 1.623 56.427 54.840 -0.059 0.000 0.805 146 L CB -1.481 40.487 42.059 -0.151 0.000 0.963 146 L HN 0.324 nan 8.230 nan 0.000 0.459 147 S N -0.541 115.181 115.700 0.036 0.000 2.400 147 S HA -0.262 4.213 4.470 0.009 0.000 0.234 147 S C 1.695 176.351 174.600 0.093 0.000 1.049 147 S CA 1.418 59.673 58.200 0.091 0.000 1.039 147 S CB -0.772 62.466 63.200 0.063 0.000 0.856 147 S HN 0.537 nan 8.310 nan 0.000 0.465 148 E N 2.509 122.740 120.200 0.052 0.000 2.049 148 E HA -0.134 4.221 4.350 0.009 0.000 0.198 148 E C 2.261 178.884 176.600 0.039 0.000 1.007 148 E CA 1.602 58.022 56.400 0.033 0.000 0.809 148 E CB -0.698 29.007 29.700 0.007 0.000 0.749 148 E HN 0.752 nan 8.360 nan 0.000 0.450 149 A N -0.618 122.232 122.820 0.051 0.000 2.238 149 A HA 0.028 4.354 4.320 0.009 0.000 0.210 149 A C 0.348 178.024 177.584 0.153 0.000 1.179 149 A CA -0.219 51.856 52.037 0.063 0.000 0.827 149 A CB -0.209 18.793 19.000 0.005 0.000 0.856 149 A HN 0.162 nan 8.150 nan 0.000 0.488 150 W N 1.020 122.276 121.300 -0.073 0.000 1.864 150 W HA 0.400 5.065 4.660 0.009 0.000 0.296 150 W C -2.792 173.755 176.519 0.046 0.000 0.794 150 W CA -2.852 54.462 57.345 -0.053 0.000 2.180 150 W CB 0.089 29.460 29.460 -0.149 0.000 2.332 150 W HN 0.083 nan 8.180 nan 0.000 0.417 151 P HA -0.097 nan 4.420 nan 0.000 0.265 151 P C 0.521 177.949 177.300 0.212 0.000 1.187 151 P CA 0.563 63.740 63.100 0.130 0.000 0.766 151 P CB 0.783 32.520 31.700 0.061 0.000 0.820 152 E N 1.236 121.556 120.200 0.200 0.000 2.478 152 E HA 0.029 4.385 4.350 0.009 0.000 0.262 152 E C 0.081 176.754 176.600 0.122 0.000 1.243 152 E CA 0.448 56.977 56.400 0.215 0.000 1.039 152 E CB 0.327 30.098 29.700 0.118 0.000 0.983 152 E HN 0.444 nan 8.360 nan 0.000 0.479 153 E N -0.424 119.754 120.200 -0.036 0.000 2.383 153 E HA 0.349 4.704 4.350 0.009 0.000 0.275 153 E C -1.935 174.582 176.600 -0.138 0.000 0.918 153 E CA -0.670 55.661 56.400 -0.115 0.000 0.764 153 E CB 1.826 31.345 29.700 -0.301 0.000 1.252 153 E HN 0.144 nan 8.360 nan 0.000 0.449 154 V N 3.058 122.940 119.914 -0.053 0.000 2.417 154 V HA 0.599 4.724 4.120 0.009 0.000 0.291 154 V C -0.770 175.319 176.094 -0.009 0.000 1.024 154 V CA -0.734 61.527 62.300 -0.066 0.000 0.861 154 V CB 1.558 33.303 31.823 -0.129 0.000 0.985 154 V HN 0.577 nan 8.190 nan 0.000 0.436 155 V N 6.067 125.957 119.914 -0.040 0.000 2.588 155 V HA 0.569 4.694 4.120 0.009 0.000 0.304 155 V C -0.465 175.626 176.094 -0.006 0.000 1.042 155 V CA -0.693 61.604 62.300 -0.006 0.000 0.877 155 V CB 1.758 33.562 31.823 -0.032 0.000 0.996 155 V HN 0.762 nan 8.190 nan 0.000 0.425 156 L N 0.282 121.511 121.223 0.010 0.000 2.333 156 L HA 0.743 5.088 4.340 0.009 0.000 0.280 156 L C -0.668 176.199 176.870 -0.005 0.000 1.004 156 L CA -0.598 54.242 54.840 0.000 0.000 0.820 156 L CB 1.572 43.634 42.059 0.006 0.000 1.247 156 L HN 0.421 nan 8.230 nan 0.000 0.416 157 D N 3.616 124.016 120.400 -0.001 0.000 2.383 157 D HA 0.346 4.992 4.640 0.009 0.000 0.245 157 D C 0.112 176.417 176.300 0.007 0.000 1.263 157 D CA 0.103 54.104 54.000 0.002 0.000 0.936 157 D CB 0.572 41.377 40.800 0.007 0.000 1.053 157 D HN 0.422 nan 8.370 nan 0.000 0.507 158 L N 2.004 123.225 121.223 -0.003 0.000 2.479 158 L HA 0.340 4.686 4.340 0.009 0.000 0.248 158 L C 0.703 177.600 176.870 0.045 0.000 1.205 158 L CA -0.357 54.495 54.840 0.021 0.000 0.817 158 L CB 0.687 42.730 42.059 -0.028 0.000 1.162 158 L HN 0.398 nan 8.230 nan 0.000 0.486 159 E N 0.563 120.821 120.200 0.098 0.000 2.331 159 E HA 0.336 4.692 4.350 0.009 0.000 0.243 159 E C -1.671 175.045 176.600 0.193 0.000 0.925 159 E CA -0.505 55.958 56.400 0.104 0.000 0.760 159 E CB 1.438 31.185 29.700 0.078 0.000 1.254 159 E HN 0.271 nan 8.360 nan 0.000 0.419 160 V N 4.025 124.031 119.914 0.153 0.000 2.461 160 V HA 0.229 4.355 4.120 0.009 0.000 0.275 160 V C 0.669 176.860 176.094 0.162 0.000 1.047 160 V CA -0.331 62.093 62.300 0.207 0.000 0.955 160 V CB 1.055 32.888 31.823 0.017 0.000 0.988 160 V HN 0.791 nan 8.190 nan 0.000 0.471 161 T N 3.368 118.030 114.554 0.181 0.000 2.899 161 T HA 0.294 4.650 4.350 0.009 0.000 0.284 161 T C -1.847 172.900 174.700 0.078 0.000 1.004 161 T CA -1.857 60.300 62.100 0.094 0.000 1.043 161 T CB 1.221 70.116 68.868 0.045 0.000 1.013 161 T HN 0.402 nan 8.240 nan 0.000 0.518 162 P HA -0.161 nan 4.420 nan 0.000 0.218 162 P C 1.386 178.709 177.300 0.038 0.000 1.146 162 P CA 0.909 64.036 63.100 0.045 0.000 0.820 162 P CB -0.043 31.685 31.700 0.047 0.000 0.778 163 N N -1.589 117.136 118.700 0.042 0.000 2.416 163 N HA -0.058 4.687 4.740 0.009 0.000 0.177 163 N C 0.613 176.153 175.510 0.050 0.000 1.036 163 N CA 0.728 53.802 53.050 0.040 0.000 0.901 163 N CB -0.339 38.167 38.487 0.033 0.000 0.976 163 N HN -0.031 nan 8.380 nan 0.000 0.444 164 R N 1.578 122.121 120.500 0.071 0.000 2.755 164 R HA 0.293 4.638 4.340 0.009 0.000 0.268 164 R C -1.898 174.421 176.300 0.032 0.000 1.295 164 R CA -1.809 54.347 56.100 0.093 0.000 1.379 164 R CB 0.724 31.160 30.300 0.227 0.000 1.170 164 R HN 0.255 nan 8.270 nan 0.000 0.584 165 P HA 0.055 nan 4.420 nan 0.000 0.267 165 P C 0.379 177.648 177.300 -0.051 0.000 1.289 165 P CA 0.204 63.280 63.100 -0.039 0.000 0.866 165 P CB 0.459 32.148 31.700 -0.017 0.000 1.309 166 D N -0.101 120.290 120.400 -0.015 0.000 2.333 166 D HA 0.028 4.674 4.640 0.009 0.000 0.208 166 D C 1.161 177.390 176.300 -0.118 0.000 0.984 166 D CA 0.215 54.197 54.000 -0.030 0.000 0.873 166 D CB -0.405 40.456 40.800 0.101 0.000 0.935 166 D HN 0.045 nan 8.370 nan 0.000 0.521 167 A N 0.519 123.265 122.820 -0.123 0.000 2.359 167 A HA 0.301 4.626 4.320 0.009 0.000 0.240 167 A C 1.573 178.990 177.584 -0.277 0.000 1.306 167 A CA -0.267 51.617 52.037 -0.255 0.000 0.898 167 A CB -0.676 18.130 19.000 -0.324 0.000 0.956 167 A HN 0.243 nan 8.150 nan 0.000 0.497 168 L N -0.690 120.393 121.223 -0.232 0.000 2.728 168 L HA 0.305 4.651 4.340 0.009 0.000 0.238 168 L C 0.891 177.601 176.870 -0.267 0.000 1.143 168 L CA 0.076 54.773 54.840 -0.239 0.000 0.937 168 L CB 0.621 42.540 42.059 -0.233 0.000 1.225 168 L HN 0.455 nan 8.230 nan 0.000 0.507 169 G N -1.366 107.252 108.800 -0.303 0.000 2.667 169 G HA2 0.383 4.349 3.960 0.009 0.000 0.298 169 G HA3 0.383 4.349 3.960 0.009 0.000 0.298 169 G C 0.192 174.827 174.900 -0.443 0.000 1.377 169 G CA -0.542 44.343 45.100 -0.359 0.000 0.964 169 G HN -0.261 nan 8.290 nan 0.000 0.493 170 L N 1.131 122.011 121.223 -0.571 0.000 2.129 170 L HA -0.068 4.278 4.340 0.009 0.000 0.212 170 L C 2.706 179.222 176.870 -0.591 0.000 1.087 170 L CA 1.212 55.683 54.840 -0.614 0.000 0.757 170 L CB -0.812 40.796 42.059 -0.753 0.000 0.896 170 L HN 0.546 nan 8.230 nan 0.000 0.434 171 L N -0.740 120.086 121.223 -0.661 0.000 2.376 171 L HA 0.013 4.359 4.340 0.009 0.000 0.219 171 L C 2.246 178.888 176.870 -0.379 0.000 1.133 171 L CA 1.217 55.722 54.840 -0.559 0.000 0.816 171 L CB -0.626 41.099 42.059 -0.556 0.000 0.933 171 L HN 0.235 nan 8.230 nan 0.000 0.449 172 G N -1.041 107.550 108.800 -0.348 0.000 2.394 172 G HA2 -0.156 3.809 3.960 0.009 0.000 0.215 172 G HA3 -0.156 3.809 3.960 0.009 0.000 0.215 172 G C 1.471 176.253 174.900 -0.196 0.000 1.165 172 G CA 0.272 45.217 45.100 -0.258 0.000 0.784 172 G HN 0.197 nan 8.290 nan 0.000 0.535 173 L N 1.391 122.455 121.223 -0.264 0.000 1.976 173 L HA 0.003 4.348 4.340 0.009 0.000 0.209 173 L C 3.349 180.129 176.870 -0.151 0.000 1.071 173 L CA 2.101 56.790 54.840 -0.250 0.000 0.746 173 L CB -1.412 40.455 42.059 -0.320 0.000 0.890 173 L HN 0.320 nan 8.230 nan 0.000 0.432 174 A N -0.226 122.487 122.820 -0.179 0.000 1.896 174 A HA -0.307 4.018 4.320 0.009 0.000 0.220 174 A C 2.375 179.949 177.584 -0.017 0.000 1.206 174 A CA 2.285 54.259 52.037 -0.105 0.000 0.647 174 A CB -0.677 18.241 19.000 -0.137 0.000 0.828 174 A HN 0.435 nan 8.150 nan 0.000 0.455 175 R N -0.972 119.506 120.500 -0.036 0.000 2.127 175 R HA -0.158 4.187 4.340 0.009 0.000 0.238 175 R C 1.687 178.057 176.300 0.117 0.000 1.134 175 R CA 1.558 57.694 56.100 0.060 0.000 0.975 175 R CB -0.352 29.956 30.300 0.013 0.000 0.865 175 R HN 0.569 nan 8.270 nan 0.000 0.447 176 D N 0.087 120.533 120.400 0.075 0.000 2.123 176 D HA -0.046 4.600 4.640 0.009 0.000 0.200 176 D C 1.832 178.201 176.300 0.115 0.000 0.976 176 D CA 0.806 54.864 54.000 0.098 0.000 0.831 176 D CB 0.048 40.925 40.800 0.128 0.000 0.974 176 D HN 0.081 nan 8.370 nan 0.000 0.469 177 L N 0.022 121.315 121.223 0.117 0.000 2.017 177 L HA -0.195 4.150 4.340 0.009 0.000 0.208 177 L C 2.473 179.523 176.870 0.299 0.000 1.073 177 L CA 1.332 56.286 54.840 0.190 0.000 0.745 177 L CB -0.764 41.312 42.059 0.029 0.000 0.894 177 L HN 0.312 nan 8.230 nan 0.000 0.432 178 H N 0.398 119.549 119.070 0.135 0.000 2.426 178 H HA -0.219 4.343 4.556 0.009 0.000 0.298 178 H C 2.058 177.430 175.328 0.075 0.000 1.107 178 H CA 1.229 57.346 56.048 0.115 0.000 1.298 178 H CB 0.388 30.187 29.762 0.061 0.000 1.377 178 H HN 0.390 nan 8.280 nan 0.000 0.519 179 A N 1.041 123.810 122.820 -0.085 0.000 2.015 179 A HA -0.046 4.280 4.320 0.009 0.000 0.219 179 A C 2.584 180.098 177.584 -0.116 0.000 1.163 179 A CA 0.725 52.664 52.037 -0.162 0.000 0.646 179 A CB -0.441 18.518 19.000 -0.069 0.000 0.806 179 A HN 0.434 nan 8.150 nan 0.000 0.448 180 L N -2.142 119.068 121.223 -0.021 0.000 2.313 180 L HA 0.111 4.456 4.340 0.009 0.000 0.214 180 L C 1.831 178.626 176.870 -0.125 0.000 1.119 180 L CA 1.101 55.925 54.840 -0.026 0.000 0.809 180 L CB -0.208 41.900 42.059 0.081 0.000 0.933 180 L HN 0.609 nan 8.230 nan 0.000 0.449 181 G N -2.294 106.425 108.800 -0.134 0.000 2.935 181 G HA2 -0.161 3.804 3.960 0.009 0.000 0.213 181 G HA3 -0.161 3.804 3.960 0.009 0.000 0.213 181 G C -0.071 174.733 174.900 -0.161 0.000 0.984 181 G CA -0.680 44.302 45.100 -0.198 0.000 0.790 181 G HN 0.127 nan 8.290 nan 0.000 0.538 182 Y N 1.570 121.912 120.300 0.070 0.000 2.379 182 Y HA 0.525 5.080 4.550 0.009 0.000 0.337 182 Y C 1.040 177.052 175.900 0.186 0.000 1.238 182 Y CA 0.255 58.414 58.100 0.098 0.000 1.405 182 Y CB 1.022 39.525 38.460 0.070 0.000 1.310 182 Y HN 0.316 nan 8.280 nan 0.000 0.569 183 A N 3.754 126.732 122.820 0.263 0.000 2.328 183 A HA 0.421 4.747 4.320 0.009 0.000 0.284 183 A C -0.758 176.842 177.584 0.027 0.000 1.160 183 A CA -0.639 51.473 52.037 0.125 0.000 0.818 183 A CB 0.138 19.180 19.000 0.071 0.000 1.087 183 A HN 0.784 nan 8.150 nan 0.000 0.504 184 L N 3.891 125.013 121.223 -0.167 0.000 2.260 184 L HA 0.319 4.665 4.340 0.009 0.000 0.289 184 L C -0.802 176.001 176.870 -0.112 0.000 1.057 184 L CA -0.401 54.321 54.840 -0.198 0.000 0.811 184 L CB 1.345 43.138 42.059 -0.444 0.000 1.184 184 L HN 0.471 nan 8.230 nan 0.000 0.429 185 V N 4.858 124.752 119.914 -0.032 0.000 2.240 185 V HA 0.177 4.303 4.120 0.009 0.000 0.265 185 V C 0.354 176.479 176.094 0.051 0.000 1.073 185 V CA -0.540 61.755 62.300 -0.009 0.000 0.857 185 V CB 0.984 32.795 31.823 -0.019 0.000 1.114 185 V HN 0.679 nan 8.190 nan 0.000 0.469 186 E N 5.734 125.943 120.200 0.016 0.000 2.180 186 E HA 0.284 4.640 4.350 0.009 0.000 0.283 186 E C -2.279 174.357 176.600 0.060 0.000 1.061 186 E CA -1.736 54.688 56.400 0.040 0.000 0.861 186 E CB 1.013 30.701 29.700 -0.020 0.000 1.056 186 E HN 0.449 nan 8.360 nan 0.000 0.407 187 P HA -0.026 nan 4.420 nan 0.000 0.268 187 P C -1.149 176.187 177.300 0.059 0.000 1.204 187 P CA 0.074 63.229 63.100 0.091 0.000 0.768 187 P CB 0.462 32.261 31.700 0.164 0.000 0.842 188 E N 2.009 122.229 120.200 0.033 0.000 2.092 188 E HA 0.501 4.857 4.350 0.009 0.000 0.271 188 E C -1.197 175.418 176.600 0.026 0.000 0.919 188 E CA -1.146 55.269 56.400 0.025 0.000 0.760 188 E CB 1.459 31.166 29.700 0.013 0.000 1.106 188 E HN 0.329 nan 8.360 nan 0.000 0.408 189 A N 3.306 126.147 122.820 0.034 0.000 2.412 189 A HA 0.606 4.932 4.320 0.009 0.000 0.334 189 A C -0.205 177.393 177.584 0.024 0.000 1.419 189 A CA -0.458 51.598 52.037 0.032 0.000 0.930 189 A CB 0.416 19.446 19.000 0.049 0.000 1.149 189 A HN 0.688 nan 8.150 nan 0.000 0.515 190 A N 3.286 126.116 122.820 0.016 0.000 2.249 190 A HA 0.621 4.946 4.320 0.009 0.000 0.314 190 A C 0.029 177.619 177.584 0.010 0.000 1.290 190 A CA -0.520 51.525 52.037 0.014 0.000 0.893 190 A CB -0.147 18.860 19.000 0.011 0.000 1.165 190 A HN 1.326 nan 8.150 nan 0.000 0.530 191 L N 0.354 121.584 121.223 0.012 0.000 2.416 191 L HA 0.879 5.225 4.340 0.009 0.000 0.263 191 L C -0.342 176.532 176.870 0.006 0.000 1.065 191 L CA -0.866 53.977 54.840 0.005 0.000 0.798 191 L CB 0.308 42.370 42.059 0.004 0.000 1.267 191 L HN 0.304 nan 8.230 nan 0.000 0.467 192 K N 0.681 121.080 120.400 -0.002 0.000 2.473 192 K HA 0.764 5.090 4.320 0.009 0.000 0.246 192 K C -0.819 175.786 176.600 0.008 0.000 1.011 192 K CA -0.200 56.089 56.287 0.003 0.000 0.984 192 K CB 1.285 33.782 32.500 -0.004 0.000 1.250 192 K HN 0.832 nan 8.250 nan 0.000 0.454 193 A N 2.516 125.351 122.820 0.026 0.000 2.317 193 A HA 0.500 4.825 4.320 0.009 0.000 0.327 193 A C -0.436 177.185 177.584 0.062 0.000 1.178 193 A CA -0.758 51.306 52.037 0.045 0.000 0.817 193 A CB 0.534 19.569 19.000 0.058 0.000 1.189 193 A HN 0.642 nan 8.150 nan 0.000 0.489 194 E N 2.051 122.306 120.200 0.091 0.000 2.175 194 E HA 0.562 4.917 4.350 0.009 0.000 0.278 194 E C -0.369 176.297 176.600 0.110 0.000 0.969 194 E CA -0.534 55.924 56.400 0.097 0.000 0.796 194 E CB 1.712 31.478 29.700 0.110 0.000 1.104 194 E HN 0.606 nan 8.360 nan 0.000 0.395 195 A N 4.706 127.573 122.820 0.079 0.000 2.395 195 A HA 0.454 4.780 4.320 0.009 0.000 0.286 195 A C -0.325 177.296 177.584 0.060 0.000 1.193 195 A CA -0.454 51.623 52.037 0.068 0.000 0.852 195 A CB -0.662 18.365 19.000 0.046 0.000 1.118 195 A HN 0.570 nan 8.150 nan 0.000 0.524 196 L N 1.040 122.302 121.223 0.065 0.000 2.582 196 L HA 0.765 5.110 4.340 0.009 0.000 0.257 196 L C -2.834 174.042 176.870 0.009 0.000 0.974 196 L CA -1.948 52.913 54.840 0.035 0.000 0.851 196 L CB 1.106 43.191 42.059 0.042 0.000 1.424 196 L HN 0.342 nan 8.230 nan 0.000 0.412 197 P HA 0.259 nan 4.420 nan 0.000 0.271 197 P C -0.859 176.337 177.300 -0.174 0.000 1.216 197 P CA -0.096 62.947 63.100 -0.094 0.000 0.771 197 P CB 0.738 32.383 31.700 -0.093 0.000 0.864 198 L N 5.416 126.474 121.223 -0.275 0.000 2.367 198 L HA 0.180 4.526 4.340 0.009 0.000 0.275 198 L C -0.821 175.713 176.870 -0.560 0.000 1.129 198 L CA -1.656 52.853 54.840 -0.552 0.000 0.839 198 L CB 0.361 41.954 42.059 -0.776 0.000 1.133 198 L HN 0.287 nan 8.230 nan 0.000 0.453 199 P HA -0.026 nan 4.420 nan 0.000 0.252 199 P C -0.536 176.721 177.300 -0.071 0.000 1.265 199 P CA 0.560 63.508 63.100 -0.254 0.000 0.775 199 P CB -0.297 31.262 31.700 -0.236 0.000 1.128 200 F N -2.106 117.707 119.950 -0.229 0.000 2.613 200 F HA 0.835 5.367 4.527 0.009 0.000 0.314 200 F C -0.524 175.211 175.800 -0.109 0.000 1.075 200 F CA -1.723 56.164 58.000 -0.188 0.000 0.945 200 F CB 0.737 39.629 39.000 -0.181 0.000 1.310 200 F HN -0.156 nan 8.300 nan 0.000 0.467 201 A N 1.392 124.269 122.820 0.096 0.000 2.352 201 A HA 0.921 5.246 4.320 0.009 0.000 0.299 201 A C -1.714 176.020 177.584 0.249 0.000 1.160 201 A CA -0.829 51.281 52.037 0.122 0.000 0.933 201 A CB 1.571 20.721 19.000 0.250 0.000 1.387 201 A HN 1.328 nan 8.150 nan 0.000 0.487 202 L N 0.201 121.561 121.223 0.228 0.000 2.580 202 L HA 0.563 4.908 4.340 0.009 0.000 0.266 202 L C -0.961 175.968 176.870 0.099 0.000 0.955 202 L CA -0.378 54.566 54.840 0.174 0.000 0.886 202 L CB 1.468 43.605 42.059 0.129 0.000 1.263 202 L HN 0.743 nan 8.230 nan 0.000 0.406 203 K N 4.775 125.217 120.400 0.070 0.000 2.463 203 K HA 0.769 5.095 4.320 0.009 0.000 0.255 203 K C -1.033 175.475 176.600 -0.153 0.000 0.942 203 K CA -0.836 55.407 56.287 -0.074 0.000 0.814 203 K CB 2.135 34.521 32.500 -0.190 0.000 1.122 203 K HN 0.438 nan 8.250 nan 0.000 0.425 204 V N 0.483 120.300 119.914 -0.163 0.000 2.407 204 V HA 0.316 4.442 4.120 0.009 0.000 0.278 204 V C 0.403 176.408 176.094 -0.149 0.000 1.037 204 V CA -0.397 61.790 62.300 -0.189 0.000 0.900 204 V CB 1.191 32.910 31.823 -0.172 0.000 0.983 204 V HN 0.980 nan 8.190 nan 0.000 0.459 205 E N 2.422 122.535 120.200 -0.145 0.000 2.175 205 E HA 0.053 4.409 4.350 0.009 0.000 0.195 205 E C -0.016 176.527 176.600 -0.095 0.000 0.934 205 E CA 0.730 57.059 56.400 -0.120 0.000 0.870 205 E CB 0.411 30.039 29.700 -0.120 0.000 0.838 205 E HN 0.930 nan 8.360 nan 0.000 0.474 206 D N 1.471 121.816 120.400 -0.092 0.000 2.485 206 D HA 0.070 4.715 4.640 0.009 0.000 0.229 206 D C -1.772 174.479 176.300 -0.082 0.000 1.101 206 D CA -2.245 51.711 54.000 -0.072 0.000 0.906 206 D CB 1.134 41.901 40.800 -0.054 0.000 1.019 206 D HN -0.135 nan 8.370 nan 0.000 0.516 207 P HA -0.101 nan 4.420 nan 0.000 0.234 207 P C -0.075 177.191 177.300 -0.057 0.000 1.167 207 P CA 0.642 63.701 63.100 -0.069 0.000 0.763 207 P CB 0.025 31.691 31.700 -0.057 0.000 0.835 208 E N -0.765 119.407 120.200 -0.047 0.000 2.511 208 E HA 0.445 4.800 4.350 0.009 0.000 0.214 208 E C 0.982 177.565 176.600 -0.029 0.000 1.062 208 E CA -0.431 55.952 56.400 -0.030 0.000 1.213 208 E CB -0.106 29.584 29.700 -0.017 0.000 1.214 208 E HN 0.090 nan 8.360 nan 0.000 0.441 209 G N 0.163 108.927 108.800 -0.060 0.000 2.529 209 G HA2 0.332 4.298 3.960 0.009 0.000 0.174 209 G HA3 0.332 4.298 3.960 0.009 0.000 0.174 209 G C 0.377 175.174 174.900 -0.172 0.000 1.373 209 G CA 0.210 45.276 45.100 -0.055 0.000 0.820 209 G HN 0.333 nan 8.290 nan 0.000 0.962 210 A N 0.837 123.512 122.820 -0.241 0.000 3.410 210 A HA 0.693 5.019 4.320 0.009 0.000 0.276 210 A C -1.552 175.938 177.584 -0.158 0.000 0.995 210 A CA -0.684 51.096 52.037 -0.428 0.000 0.934 210 A CB 0.865 19.508 19.000 -0.596 0.000 1.191 210 A HN -0.013 nan 8.150 nan 0.000 0.511 211 P HA -0.182 nan 4.420 nan 0.000 0.216 211 P C 0.300 177.628 177.300 0.046 0.000 1.154 211 P CA 1.605 64.700 63.100 -0.008 0.000 0.865 211 P CB 0.101 31.815 31.700 0.023 0.000 0.789 212 H N -1.843 117.225 119.070 -0.003 0.000 2.727 212 H HA 0.443 5.005 4.556 0.009 0.000 0.330 212 H C -1.431 173.951 175.328 0.090 0.000 0.986 212 H CA -1.151 54.927 56.048 0.051 0.000 1.251 212 H CB 0.023 29.816 29.762 0.051 0.000 1.493 212 H HN -0.114 nan 8.280 nan 0.000 0.515 213 F N 2.241 122.366 119.950 0.291 0.000 2.579 213 F HA 0.561 5.093 4.527 0.009 0.000 0.324 213 F C -0.497 175.454 175.800 0.252 0.000 1.058 213 F CA -0.166 57.952 58.000 0.196 0.000 0.944 213 F CB 2.299 41.342 39.000 0.072 0.000 1.245 213 F HN 0.380 nan 8.300 nan 0.000 0.477 214 T N 4.744 119.423 114.554 0.208 0.000 3.105 214 T HA 0.524 4.880 4.350 0.009 0.000 0.321 214 T C -1.910 172.992 174.700 0.335 0.000 1.135 214 T CA -0.499 61.769 62.100 0.279 0.000 1.053 214 T CB 1.609 70.560 68.868 0.138 0.000 1.133 214 T HN 0.278 nan 8.240 nan 0.000 0.463 215 L N 2.551 124.030 121.223 0.426 0.000 2.381 215 L HA 0.829 5.175 4.340 0.009 0.000 0.274 215 L C 0.342 177.481 176.870 0.449 0.000 0.988 215 L CA -0.225 54.925 54.840 0.516 0.000 0.824 215 L CB 1.612 44.109 42.059 0.731 0.000 1.263 215 L HN 0.893 nan 8.230 nan 0.000 0.410 216 G N 1.867 110.931 108.800 0.440 0.000 2.453 216 G HA2 0.496 4.461 3.960 0.009 0.000 0.323 216 G HA3 0.496 4.461 3.960 0.009 0.000 0.323 216 G C -2.179 173.059 174.900 0.565 0.000 1.198 216 G CA -0.313 45.022 45.100 0.391 0.000 0.959 216 G HN 0.361 nan 8.290 nan 0.000 0.482 217 Y N 1.185 121.702 120.300 0.362 0.000 2.332 217 Y HA 0.666 5.221 4.550 0.009 0.000 0.326 217 Y C -0.350 175.735 175.900 0.308 0.000 0.978 217 Y CA -1.489 56.863 58.100 0.421 0.000 1.205 217 Y CB 1.405 40.165 38.460 0.499 0.000 1.131 217 Y HN 0.752 nan 8.280 nan 0.000 0.462 218 A N 7.646 130.340 122.820 -0.210 0.000 2.343 218 A HA 0.770 5.095 4.320 0.009 0.000 0.308 218 A C -1.615 175.731 177.584 -0.397 0.000 1.092 218 A CA -0.512 51.322 52.037 -0.339 0.000 0.751 218 A CB 0.239 19.138 19.000 -0.169 0.000 1.203 218 A HN 0.787 nan 8.150 nan 0.000 0.452 219 F N -0.251 119.394 119.950 -0.508 0.000 2.640 219 F HA 0.820 5.352 4.527 0.009 0.000 0.324 219 F C 0.830 176.548 175.800 -0.137 0.000 1.077 219 F CA -0.579 57.254 58.000 -0.279 0.000 0.965 219 F CB 1.342 40.198 39.000 -0.241 0.000 1.351 219 F HN 1.402 nan 8.300 nan 0.000 0.487 220 G N 0.951 109.708 108.800 -0.073 0.000 2.132 220 G HA2 -0.216 3.750 3.960 0.009 0.000 0.234 220 G HA3 -0.216 3.750 3.960 0.009 0.000 0.234 220 G C -0.374 174.443 174.900 -0.138 0.000 0.989 220 G CA -0.141 44.876 45.100 -0.138 0.000 0.676 220 G HN 0.807 nan 8.290 nan 0.000 0.522 221 L N -0.023 121.142 121.223 -0.098 0.000 2.513 221 L HA 0.342 4.687 4.340 0.009 0.000 0.272 221 L C 1.158 177.999 176.870 -0.049 0.000 1.187 221 L CA -0.117 54.675 54.840 -0.080 0.000 0.895 221 L CB 0.558 42.585 42.059 -0.052 0.000 1.147 221 L HN 0.152 nan 8.230 nan 0.000 0.483 222 R N 3.170 123.636 120.500 -0.058 0.000 2.575 222 R HA 0.294 4.640 4.340 0.009 0.000 0.281 222 R C -1.160 175.112 176.300 -0.046 0.000 1.272 222 R CA -0.396 55.678 56.100 -0.042 0.000 1.417 222 R CB 0.419 30.693 30.300 -0.043 0.000 1.121 222 R HN 0.394 nan 8.270 nan 0.000 0.583 223 V N 3.818 123.708 119.914 -0.040 0.000 2.450 223 V HA 0.447 4.573 4.120 0.009 0.000 0.281 223 V C 0.438 176.505 176.094 -0.044 0.000 1.019 223 V CA 0.788 63.060 62.300 -0.046 0.000 1.062 223 V CB 0.400 32.200 31.823 -0.039 0.000 0.979 223 V HN 0.851 nan 8.190 nan 0.000 0.477 224 A N 7.996 130.783 122.820 -0.054 0.000 2.507 224 A HA 1.016 5.341 4.320 0.009 0.000 0.284 224 A C -2.991 174.556 177.584 -0.062 0.000 1.281 224 A CA -1.584 50.425 52.037 -0.048 0.000 0.744 224 A CB 1.642 20.619 19.000 -0.037 0.000 1.332 224 A HN 0.586 nan 8.150 nan 0.000 0.454 225 P HA 0.363 nan 4.420 nan 0.000 0.278 225 P C -0.467 176.780 177.300 -0.088 0.000 1.258 225 P CA -0.292 62.767 63.100 -0.069 0.000 0.811 225 P CB 0.903 32.572 31.700 -0.051 0.000 1.063 226 S N 1.199 116.819 115.700 -0.133 0.000 2.580 226 S HA 0.381 4.857 4.470 0.009 0.000 0.274 226 S C -2.152 172.309 174.600 -0.233 0.000 1.329 226 S CA -1.307 56.755 58.200 -0.229 0.000 1.036 226 S CB -0.509 62.514 63.200 -0.294 0.000 0.919 226 S HN 0.372 nan 8.310 nan 0.000 0.515 227 P HA 0.009 nan 4.420 nan 0.000 0.267 227 P C 0.650 177.728 177.300 -0.370 0.000 1.201 227 P CA -0.411 62.471 63.100 -0.364 0.000 0.775 227 P CB 0.478 31.850 31.700 -0.547 0.000 0.854 228 L N 2.150 123.299 121.223 -0.124 0.000 1.978 228 L HA -0.200 4.146 4.340 0.009 0.000 0.218 228 L C 2.735 179.595 176.870 -0.016 0.000 1.075 228 L CA 2.339 57.208 54.840 0.048 0.000 0.767 228 L CB -1.906 40.205 42.059 0.087 0.000 0.890 228 L HN 0.636 nan 8.230 nan 0.000 0.434 229 W N -1.132 120.088 121.300 -0.134 0.000 2.313 229 W HA -0.346 4.319 4.660 0.009 0.000 0.293 229 W C 2.184 178.552 176.519 -0.252 0.000 1.216 229 W CA 1.579 58.786 57.345 -0.229 0.000 1.223 229 W CB -1.032 28.299 29.460 -0.215 0.000 1.138 229 W HN 0.300 nan 8.180 nan 0.000 0.535 230 M N 1.212 120.475 119.600 -0.561 0.000 2.349 230 M HA -0.119 4.367 4.480 0.009 0.000 0.266 230 M C 2.403 178.530 176.300 -0.288 0.000 1.076 230 M CA 1.545 56.449 55.300 -0.660 0.000 1.126 230 M CB -0.109 31.743 32.600 -1.246 0.000 1.392 230 M HN -0.000 nan 8.290 nan 0.000 0.440 231 Q N -0.506 119.210 119.800 -0.139 0.000 2.163 231 Q HA -0.103 4.242 4.340 0.009 0.000 0.198 231 Q C 2.063 178.188 176.000 0.208 0.000 0.954 231 Q CA 0.876 56.716 55.803 0.063 0.000 0.851 231 Q CB -0.226 28.708 28.738 0.327 0.000 0.928 231 Q HN 0.526 nan 8.270 nan 0.000 0.459 232 R N 0.789 121.272 120.500 -0.028 0.000 2.105 232 R HA -0.163 4.182 4.340 0.009 0.000 0.239 232 R C 2.089 178.340 176.300 -0.081 0.000 1.135 232 R CA 1.298 57.027 56.100 -0.619 0.000 0.967 232 R CB -0.143 29.546 30.300 -1.018 0.000 0.861 232 R HN 0.235 nan 8.270 nan 0.000 0.442 233 A N 0.757 123.522 122.820 -0.093 0.000 1.872 233 A HA -0.104 4.221 4.320 0.009 0.000 0.214 233 A C 1.988 179.564 177.584 -0.014 0.000 1.187 233 A CA 0.799 52.716 52.037 -0.200 0.000 0.614 233 A CB -0.379 18.294 19.000 -0.546 0.000 0.826 233 A HN 0.206 nan 8.150 nan 0.000 0.442 234 L N -1.295 119.934 121.223 0.009 0.000 2.005 234 L HA -0.059 4.287 4.340 0.009 0.000 0.207 234 L C 2.463 179.449 176.870 0.193 0.000 1.072 234 L CA 1.623 56.499 54.840 0.059 0.000 0.744 234 L CB -1.890 40.117 42.059 -0.087 0.000 0.895 234 L HN 0.479 nan 8.230 nan 0.000 0.433 235 F N 0.175 120.264 119.950 0.232 0.000 2.075 235 F HA -0.237 4.296 4.527 0.009 0.000 0.297 235 F C 2.531 178.565 175.800 0.389 0.000 1.113 235 F CA 0.958 59.158 58.000 0.334 0.000 1.218 235 F CB -0.464 38.816 39.000 0.467 0.000 0.984 235 F HN 0.103 nan 8.300 nan 0.000 0.472 236 A N -0.165 123.067 122.820 0.686 0.000 2.148 236 A HA -0.190 4.136 4.320 0.009 0.000 0.222 236 A C 2.090 179.849 177.584 0.292 0.000 1.161 236 A CA 1.881 54.165 52.037 0.411 0.000 0.662 236 A CB -0.973 18.227 19.000 0.333 0.000 0.799 236 A HN 0.388 nan 8.150 nan 0.000 0.466 237 A N -2.574 120.450 122.820 0.340 0.000 2.197 237 A HA 0.467 4.793 4.320 0.009 0.000 0.210 237 A C 1.565 179.269 177.584 0.199 0.000 1.180 237 A CA 1.097 53.300 52.037 0.277 0.000 0.846 237 A CB -0.235 18.983 19.000 0.362 0.000 0.884 237 A HN 1.930 nan 8.150 nan 0.000 0.487 238 G N -0.717 108.225 108.800 0.238 0.000 2.309 238 G HA2 -0.107 3.859 3.960 0.009 0.000 0.183 238 G HA3 -0.107 3.859 3.960 0.009 0.000 0.183 238 G C -0.199 174.800 174.900 0.166 0.000 1.063 238 G CA 0.199 45.417 45.100 0.198 0.000 0.768 238 G HN 0.269 nan 8.290 nan 0.000 0.490 239 M N -1.158 118.549 119.600 0.178 0.000 2.719 239 M HA 0.595 5.081 4.480 0.009 0.000 0.291 239 M C 0.179 176.488 176.300 0.016 0.000 1.264 239 M CA -0.921 54.426 55.300 0.080 0.000 0.811 239 M CB 2.342 34.967 32.600 0.041 0.000 1.756 239 M HN 0.164 nan 8.290 nan 0.000 0.464 240 R N 0.630 121.071 120.500 -0.098 0.000 2.637 240 R HA 0.627 4.973 4.340 0.009 0.000 0.291 240 R C -2.634 173.469 176.300 -0.329 0.000 0.963 240 R CA -1.435 54.515 56.100 -0.249 0.000 0.901 240 R CB 2.228 32.438 30.300 -0.150 0.000 1.160 240 R HN 0.282 nan 8.270 nan 0.000 0.457 241 P HA 0.271 nan 4.420 nan 0.000 0.284 241 P C -0.214 176.962 177.300 -0.207 0.000 1.258 241 P CA -0.446 62.466 63.100 -0.313 0.000 0.824 241 P CB 1.130 32.619 31.700 -0.351 0.000 1.038 242 I N 0.369 120.841 120.570 -0.163 0.000 4.061 242 I HA 0.261 4.437 4.170 0.009 0.000 0.254 242 I C 0.008 176.057 176.117 -0.113 0.000 1.038 242 I CA 0.251 61.473 61.300 -0.129 0.000 1.945 242 I CB -1.205 36.722 38.000 -0.121 0.000 1.592 242 I HN 0.356 nan 8.210 nan 0.000 0.449 243 N N 1.060 119.694 118.700 -0.111 0.000 2.235 243 N HA 0.160 4.906 4.740 0.009 0.000 0.293 243 N C 0.200 175.640 175.510 -0.117 0.000 1.083 243 N CA -0.543 52.445 53.050 -0.103 0.000 0.801 243 N CB 0.853 39.289 38.487 -0.084 0.000 1.559 243 N HN 0.122 nan 8.380 nan 0.000 0.472 244 N N 0.871 119.496 118.700 -0.126 0.000 2.182 244 N HA -0.303 4.442 4.740 0.009 0.000 0.200 244 N C 0.913 176.344 175.510 -0.131 0.000 0.989 244 N CA 2.084 55.044 53.050 -0.149 0.000 0.907 244 N CB -0.947 37.455 38.487 -0.141 0.000 1.048 244 N HN 0.378 nan 8.380 nan 0.000 0.494 245 V N -0.040 119.809 119.914 -0.108 0.000 2.307 245 V HA -0.096 4.029 4.120 0.009 0.000 0.245 245 V C 2.485 178.519 176.094 -0.100 0.000 1.045 245 V CA 1.514 63.755 62.300 -0.099 0.000 1.024 245 V CB -0.584 31.185 31.823 -0.090 0.000 0.651 245 V HN 0.321 nan 8.190 nan 0.000 0.449 246 V N -0.121 119.730 119.914 -0.106 0.000 2.591 246 V HA -0.157 3.968 4.120 0.009 0.000 0.249 246 V C 2.175 178.224 176.094 -0.076 0.000 1.053 246 V CA 1.934 64.174 62.300 -0.101 0.000 1.068 246 V CB -0.314 31.447 31.823 -0.103 0.000 0.689 246 V HN 0.575 nan 8.190 nan 0.000 0.462 247 D N -0.002 120.343 120.400 -0.092 0.000 2.097 247 D HA -0.138 4.507 4.640 0.009 0.000 0.195 247 D C 2.137 178.426 176.300 -0.019 0.000 0.989 247 D CA 1.650 55.602 54.000 -0.079 0.000 0.827 247 D CB -0.393 40.320 40.800 -0.145 0.000 0.966 247 D HN 0.381 nan 8.370 nan 0.000 0.456 248 V N 1.503 121.386 119.914 -0.052 0.000 2.688 248 V HA -0.234 3.892 4.120 0.009 0.000 0.256 248 V C 2.685 178.813 176.094 0.056 0.000 1.084 248 V CA 2.089 64.391 62.300 0.004 0.000 1.103 248 V CB -1.002 30.797 31.823 -0.041 0.000 0.688 248 V HN 0.406 nan 8.190 nan 0.000 0.480 249 T N -2.055 112.503 114.554 0.007 0.000 2.857 249 T HA -0.142 4.214 4.350 0.009 0.000 0.266 249 T C 1.741 176.459 174.700 0.029 0.000 1.048 249 T CA 1.405 63.508 62.100 0.004 0.000 1.139 249 T CB -0.339 68.502 68.868 -0.046 0.000 0.874 249 T HN 0.435 nan 8.240 nan 0.000 0.455 250 N N 0.364 119.090 118.700 0.043 0.000 2.173 250 N HA -0.008 4.737 4.740 0.009 0.000 0.184 250 N C 1.600 177.187 175.510 0.129 0.000 1.025 250 N CA 1.158 54.240 53.050 0.054 0.000 0.852 250 N CB -0.681 37.832 38.487 0.042 0.000 0.998 250 N HN 0.471 nan 8.380 nan 0.000 0.427 251 Y N 2.409 122.750 120.300 0.068 0.000 2.069 251 Y HA -0.255 4.301 4.550 0.009 0.000 0.278 251 Y C 2.216 178.248 175.900 0.219 0.000 1.175 251 Y CA 1.653 59.858 58.100 0.175 0.000 1.134 251 Y CB -0.373 38.138 38.460 0.087 0.000 0.965 251 Y HN -0.187 nan 8.280 nan 0.000 0.498 252 V N 0.781 120.858 119.914 0.272 0.000 2.970 252 V HA -0.292 3.834 4.120 0.009 0.000 0.260 252 V C 2.286 178.380 176.094 0.001 0.000 1.100 252 V CA 1.728 64.112 62.300 0.139 0.000 1.122 252 V CB -0.686 31.214 31.823 0.130 0.000 0.721 252 V HN 0.583 nan 8.190 nan 0.000 0.483 253 M N -0.309 119.284 119.600 -0.012 0.000 2.200 253 M HA -0.059 4.426 4.480 0.009 0.000 0.265 253 M C 1.952 178.171 176.300 -0.134 0.000 1.066 253 M CA 1.831 57.078 55.300 -0.088 0.000 1.127 253 M CB -0.007 32.539 32.600 -0.089 0.000 1.379 253 M HN 0.295 nan 8.290 nan 0.000 0.420 254 L N -0.340 120.819 121.223 -0.106 0.000 2.240 254 L HA -0.113 4.233 4.340 0.009 0.000 0.211 254 L C 2.250 178.897 176.870 -0.371 0.000 1.106 254 L CA 1.101 55.822 54.840 -0.199 0.000 0.793 254 L CB -0.713 41.328 42.059 -0.031 0.000 0.927 254 L HN 0.432 nan 8.230 nan 0.000 0.446 255 E N 1.726 121.758 120.200 -0.280 0.000 2.427 255 E HA -0.122 4.233 4.350 0.009 0.000 0.196 255 E C 0.885 177.264 176.600 -0.369 0.000 1.028 255 E CA 0.305 56.492 56.400 -0.355 0.000 0.864 255 E CB 0.370 29.984 29.700 -0.144 0.000 0.813 255 E HN 0.536 nan 8.360 nan 0.000 0.514 256 R N -2.174 118.160 120.500 -0.277 0.000 2.485 256 R HA 0.376 4.721 4.340 0.009 0.000 0.250 256 R C 0.365 176.540 176.300 -0.208 0.000 0.688 256 R CA 0.277 56.223 56.100 -0.258 0.000 0.904 256 R CB -0.644 29.526 30.300 -0.217 0.000 1.367 256 R HN 0.078 nan 8.270 nan 0.000 0.585 257 A N 0.072 122.761 122.820 -0.217 0.000 3.413 257 A HA -0.303 4.023 4.320 0.009 0.000 0.268 257 A C 0.464 177.921 177.584 -0.212 0.000 1.128 257 A CA 1.870 53.783 52.037 -0.207 0.000 1.062 257 A CB -1.290 17.605 19.000 -0.176 0.000 1.121 257 A HN 0.539 nan 8.150 nan 0.000 0.895 258 Q N 0.308 120.001 119.800 -0.179 0.000 2.406 258 Q HA 0.515 4.860 4.340 0.009 0.000 0.242 258 Q C -2.743 173.129 176.000 -0.213 0.000 1.036 258 Q CA -2.206 53.496 55.803 -0.168 0.000 0.904 258 Q CB 0.495 29.181 28.738 -0.088 0.000 1.244 258 Q HN 0.468 nan 8.270 nan 0.000 0.478 259 P HA 0.178 nan 4.420 nan 0.000 0.276 259 P C -1.060 176.149 177.300 -0.151 0.000 1.235 259 P CA 0.199 63.081 63.100 -0.362 0.000 0.772 259 P CB 0.671 31.930 31.700 -0.734 0.000 0.871 260 M N 1.315 120.869 119.600 -0.077 0.000 2.433 260 M HA 0.490 4.975 4.480 0.009 0.000 0.290 260 M C -0.995 175.316 176.300 0.018 0.000 1.173 260 M CA -0.690 54.606 55.300 -0.006 0.000 0.905 260 M CB 2.933 35.531 32.600 -0.005 0.000 1.692 260 M HN 0.301 nan 8.290 nan 0.000 0.462 261 H N 0.755 119.746 119.070 -0.131 0.000 2.572 261 H HA 0.791 5.353 4.556 0.009 0.000 0.359 261 H C -1.648 173.510 175.328 -0.282 0.000 1.134 261 H CA -0.667 55.196 56.048 -0.308 0.000 1.187 261 H CB 2.118 31.526 29.762 -0.590 0.000 1.597 261 H HN 0.959 nan 8.280 nan 0.000 0.524 262 A N 4.952 127.341 122.820 -0.718 0.000 2.288 262 A HA 0.494 4.820 4.320 0.009 0.000 0.320 262 A C -1.426 175.743 177.584 -0.691 0.000 1.217 262 A CA -0.477 51.297 52.037 -0.438 0.000 0.840 262 A CB 0.123 18.958 19.000 -0.275 0.000 1.179 262 A HN 0.514 nan 8.150 nan 0.000 0.504 263 F N 1.194 121.031 119.950 -0.187 0.000 2.469 263 F HA 0.289 4.821 4.527 0.009 0.000 0.332 263 F C 0.465 176.251 175.800 -0.023 0.000 1.103 263 F CA -0.475 57.473 58.000 -0.086 0.000 0.979 263 F CB 1.693 40.703 39.000 0.017 0.000 1.137 263 F HN 0.550 nan 8.300 nan 0.000 0.463 264 D N 3.468 124.014 120.400 0.244 0.000 2.358 264 D HA 0.068 4.714 4.640 0.009 0.000 0.258 264 D C 1.161 177.624 176.300 0.271 0.000 1.223 264 D CA 0.409 54.554 54.000 0.242 0.000 0.886 264 D CB 0.957 41.939 40.800 0.304 0.000 1.120 264 D HN 0.566 nan 8.370 nan 0.000 0.482 265 L N 3.909 125.226 121.223 0.157 0.000 2.189 265 L HA -0.200 4.145 4.340 0.009 0.000 0.214 265 L C 2.542 179.423 176.870 0.018 0.000 1.097 265 L CA 0.825 55.704 54.840 0.065 0.000 0.764 265 L CB -0.133 41.978 42.059 0.087 0.000 0.900 265 L HN 0.473 nan 8.230 nan 0.000 0.436 266 R N -0.100 120.407 120.500 0.011 0.000 2.136 266 R HA -0.226 4.120 4.340 0.009 0.000 0.242 266 R C 1.806 177.819 176.300 -0.479 0.000 1.131 266 R CA 2.044 57.979 56.100 -0.274 0.000 0.937 266 R CB -0.407 29.658 30.300 -0.391 0.000 0.863 266 R HN 0.253 nan 8.270 nan 0.000 0.435 267 F N -0.569 119.401 119.950 0.032 0.000 2.731 267 F HA 0.042 4.574 4.527 0.009 0.000 0.304 267 F C 1.791 177.656 175.800 0.109 0.000 1.133 267 F CA -0.107 57.925 58.000 0.053 0.000 1.380 267 F CB -0.001 39.048 39.000 0.081 0.000 1.079 267 F HN -0.152 nan 8.300 nan 0.000 0.550 268 V N -0.387 119.589 119.914 0.103 0.000 2.535 268 V HA 0.176 4.302 4.120 0.009 0.000 0.246 268 V C 1.837 177.922 176.094 -0.016 0.000 1.045 268 V CA 1.474 63.770 62.300 -0.007 0.000 1.058 268 V CB -0.457 31.267 31.823 -0.166 0.000 0.689 268 V HN 0.602 nan 8.190 nan 0.000 0.461 269 G N -0.166 108.631 108.800 -0.004 0.000 2.596 269 G HA2 -0.317 3.649 3.960 0.009 0.000 0.258 269 G HA3 -0.317 3.649 3.960 0.009 0.000 0.258 269 G C 0.558 175.303 174.900 -0.258 0.000 1.207 269 G CA 0.454 45.535 45.100 -0.032 0.000 0.954 269 G HN 0.313 nan 8.290 nan 0.000 0.551 270 E N 0.395 120.254 120.200 -0.570 0.000 2.251 270 E HA 0.444 4.799 4.350 0.009 0.000 0.194 270 E C 1.075 177.227 176.600 -0.747 0.000 0.964 270 E CA 1.045 57.070 56.400 -0.625 0.000 0.868 270 E CB 0.534 29.851 29.700 -0.638 0.000 0.828 270 E HN 1.169 nan 8.360 nan 0.000 0.481 271 G N -0.352 107.688 108.800 -1.267 0.000 2.441 271 G HA2 0.306 4.272 3.960 0.009 0.000 0.294 271 G HA3 0.306 4.272 3.960 0.009 0.000 0.294 271 G C -1.596 172.848 174.900 -0.760 0.000 1.393 271 G CA -0.953 43.632 45.100 -0.857 0.000 0.796 271 G HN -0.039 nan 8.290 nan 0.000 0.494 272 I N 1.235 121.712 120.570 -0.155 0.000 2.315 272 I HA 0.581 4.756 4.170 0.009 0.000 0.291 272 I C 0.644 176.872 176.117 0.185 0.000 1.006 272 I CA -0.635 60.644 61.300 -0.034 0.000 1.265 272 I CB 0.643 38.613 38.000 -0.049 0.000 1.387 272 I HN 0.682 nan 8.210 nan 0.000 0.475 273 A N 6.775 129.697 122.820 0.171 0.000 2.312 273 A HA 0.753 5.079 4.320 0.009 0.000 0.326 273 A C -0.458 177.066 177.584 -0.100 0.000 1.172 273 A CA -0.493 51.578 52.037 0.057 0.000 0.821 273 A CB 1.376 20.407 19.000 0.052 0.000 1.166 273 A HN 0.480 nan 8.150 nan 0.000 0.493 274 V N 4.451 124.259 119.914 -0.178 0.000 2.409 274 V HA 0.660 4.785 4.120 0.009 0.000 0.290 274 V C -0.064 175.957 176.094 -0.122 0.000 1.017 274 V CA -0.673 61.525 62.300 -0.170 0.000 0.841 274 V CB 0.753 32.376 31.823 -0.334 0.000 1.003 274 V HN 1.137 nan 8.190 nan 0.000 0.426 275 R N 3.741 124.202 120.500 -0.064 0.000 2.870 275 R HA 0.588 4.933 4.340 0.009 0.000 0.262 275 R C -1.155 175.136 176.300 -0.015 0.000 1.112 275 R CA -1.058 55.009 56.100 -0.055 0.000 0.976 275 R CB 1.246 31.504 30.300 -0.071 0.000 1.261 275 R HN 0.355 nan 8.270 nan 0.000 0.453 276 R N 0.612 121.103 120.500 -0.016 0.000 2.347 276 R HA 0.337 4.683 4.340 0.009 0.000 0.304 276 R C -0.272 176.029 176.300 0.002 0.000 1.072 276 R CA -0.027 56.075 56.100 0.005 0.000 0.980 276 R CB 0.908 31.206 30.300 -0.004 0.000 0.986 276 R HN 0.705 nan 8.270 nan 0.000 0.448 277 A N 4.845 127.679 122.820 0.023 0.000 2.548 277 A HA 0.056 4.382 4.320 0.009 0.000 0.247 277 A C 0.227 177.809 177.584 -0.003 0.000 1.067 277 A CA 0.045 52.095 52.037 0.022 0.000 0.757 277 A CB 0.085 19.114 19.000 0.048 0.000 0.996 277 A HN 0.562 nan 8.150 nan 0.000 0.504 278 R N 1.662 122.159 120.500 -0.005 0.000 2.490 278 R HA 0.300 4.645 4.340 0.009 0.000 0.280 278 R C 0.296 176.587 176.300 -0.015 0.000 1.077 278 R CA -0.368 55.721 56.100 -0.018 0.000 1.065 278 R CB 0.425 30.717 30.300 -0.013 0.000 1.003 278 R HN 0.825 nan 8.270 nan 0.000 0.470 279 E N 0.919 121.097 120.200 -0.036 0.000 2.534 279 E HA 0.028 4.383 4.350 0.009 0.000 0.264 279 E C 0.891 177.490 176.600 -0.001 0.000 0.981 279 E CA 1.941 58.322 56.400 -0.033 0.000 0.948 279 E CB 0.253 29.926 29.700 -0.044 0.000 0.934 279 E HN 0.678 nan 8.360 nan 0.000 0.459 280 G N 3.141 111.950 108.800 0.014 0.000 2.159 280 G HA2 -0.313 3.652 3.960 0.009 0.000 0.256 280 G HA3 -0.313 3.652 3.960 0.009 0.000 0.256 280 G C -0.095 174.829 174.900 0.040 0.000 0.977 280 G CA 0.368 45.485 45.100 0.028 0.000 0.652 280 G HN 0.521 nan 8.290 nan 0.000 0.531 281 E N 0.525 120.752 120.200 0.045 0.000 2.200 281 E HA 0.517 4.873 4.350 0.009 0.000 0.283 281 E C 0.456 177.097 176.600 0.069 0.000 1.015 281 E CA -0.429 56.006 56.400 0.057 0.000 0.819 281 E CB 0.732 30.465 29.700 0.054 0.000 1.081 281 E HN 0.390 nan 8.360 nan 0.000 0.397 282 R N 2.819 123.360 120.500 0.069 0.000 2.670 282 R HA 0.568 4.914 4.340 0.009 0.000 0.289 282 R C -0.823 175.516 176.300 0.066 0.000 0.965 282 R CA -0.815 55.327 56.100 0.069 0.000 0.899 282 R CB 1.828 32.166 30.300 0.063 0.000 1.173 282 R HN 0.391 nan 8.270 nan 0.000 0.456 283 L N 1.306 122.562 121.223 0.055 0.000 2.354 283 L HA 0.460 4.806 4.340 0.009 0.000 0.264 283 L C -0.654 176.238 176.870 0.037 0.000 1.008 283 L CA -0.793 54.078 54.840 0.052 0.000 0.819 283 L CB 2.108 44.194 42.059 0.045 0.000 1.339 283 L HN 0.537 nan 8.230 nan 0.000 0.420 284 K N 2.736 123.158 120.400 0.035 0.000 2.265 284 K HA 0.183 4.509 4.320 0.009 0.000 0.242 284 K C -0.552 176.054 176.600 0.009 0.000 1.137 284 K CA -0.313 55.986 56.287 0.021 0.000 1.082 284 K CB 0.305 32.815 32.500 0.016 0.000 1.731 284 K HN 0.616 nan 8.250 nan 0.000 0.392 285 T N 4.583 119.138 114.554 0.000 0.000 2.704 285 T HA -0.097 4.259 4.350 0.009 0.000 0.271 285 T C 1.551 176.237 174.700 -0.023 0.000 1.000 285 T CA 0.017 62.106 62.100 -0.018 0.000 1.216 285 T CB -0.012 68.838 68.868 -0.030 0.000 0.961 285 T HN 0.610 nan 8.240 nan 0.000 0.515 286 L N 5.515 126.718 121.223 -0.034 0.000 2.397 286 L HA -0.339 4.006 4.340 0.009 0.000 0.225 286 L C 1.859 178.706 176.870 -0.038 0.000 1.116 286 L CA 2.889 57.704 54.840 -0.041 0.000 0.850 286 L CB -0.827 41.194 42.059 -0.065 0.000 0.919 286 L HN 0.891 nan 8.230 nan 0.000 0.453 287 D N -1.194 119.185 120.400 -0.035 0.000 2.378 287 D HA 0.265 4.911 4.640 0.009 0.000 0.227 287 D C 1.118 177.408 176.300 -0.017 0.000 1.012 287 D CA 0.768 54.751 54.000 -0.029 0.000 0.905 287 D CB -0.396 40.389 40.800 -0.024 0.000 0.895 287 D HN 0.711 nan 8.370 nan 0.000 0.532 288 G N -0.381 108.411 108.800 -0.013 0.000 2.956 288 G HA2 0.104 4.069 3.960 0.009 0.000 0.263 288 G HA3 0.104 4.069 3.960 0.009 0.000 0.263 288 G C -0.205 174.698 174.900 0.004 0.000 1.090 288 G CA -0.277 44.820 45.100 -0.005 0.000 1.185 288 G HN 0.887 nan 8.290 nan 0.000 0.566 289 V N -2.209 117.710 119.914 0.008 0.000 3.181 289 V HA 0.948 5.073 4.120 0.009 0.000 0.307 289 V C 0.093 176.201 176.094 0.025 0.000 1.310 289 V CA -0.552 61.760 62.300 0.020 0.000 1.067 289 V CB 2.072 33.911 31.823 0.027 0.000 1.081 289 V HN 0.663 nan 8.190 nan 0.000 0.453 290 E N 0.171 120.392 120.200 0.036 0.000 3.646 290 E HA 0.358 4.714 4.350 0.009 0.000 0.211 290 E C -0.063 176.573 176.600 0.061 0.000 1.034 290 E CA -0.478 55.948 56.400 0.042 0.000 1.341 290 E CB 0.137 29.860 29.700 0.039 0.000 1.202 290 E HN 0.591 nan 8.360 nan 0.000 0.447 291 R N 1.064 121.605 120.500 0.069 0.000 2.770 291 R HA -0.017 4.328 4.340 0.009 0.000 0.361 291 R C 0.005 176.387 176.300 0.137 0.000 0.860 291 R CA 0.930 57.104 56.100 0.124 0.000 1.071 291 R CB -0.804 29.548 30.300 0.087 0.000 0.907 291 R HN 0.311 nan 8.270 nan 0.000 0.403 292 T N 2.091 116.738 114.554 0.154 0.000 2.751 292 T HA 0.199 4.554 4.350 0.009 0.000 0.290 292 T C 0.793 175.620 174.700 0.211 0.000 0.919 292 T CA -0.655 61.527 62.100 0.137 0.000 1.136 292 T CB 0.325 69.252 68.868 0.098 0.000 0.875 292 T HN 0.314 nan 8.240 nan 0.000 0.532 293 L N 2.866 124.197 121.223 0.179 0.000 2.464 293 L HA 0.361 4.706 4.340 0.009 0.000 0.264 293 L C 0.663 177.656 176.870 0.204 0.000 1.199 293 L CA -0.702 54.266 54.840 0.213 0.000 0.818 293 L CB 0.182 42.317 42.059 0.126 0.000 1.102 293 L HN 0.745 nan 8.230 nan 0.000 0.473 294 H N 1.753 120.912 119.070 0.148 0.000 2.524 294 H HA 0.303 4.865 4.556 0.009 0.000 0.353 294 H C -2.162 173.214 175.328 0.081 0.000 1.136 294 H CA -1.859 54.247 56.048 0.097 0.000 1.193 294 H CB 2.110 31.928 29.762 0.093 0.000 1.558 294 H HN 0.185 nan 8.280 nan 0.000 0.515 295 P HA -0.059 nan 4.420 nan 0.000 0.239 295 P C 0.584 177.855 177.300 -0.049 0.000 1.184 295 P CA 0.899 63.877 63.100 -0.203 0.000 0.760 295 P CB 0.355 31.903 31.700 -0.254 0.000 0.884 296 E N -0.554 119.727 120.200 0.135 0.000 2.250 296 E HA -0.026 4.330 4.350 0.009 0.000 0.192 296 E C 0.165 176.871 176.600 0.176 0.000 0.986 296 E CA 0.349 56.883 56.400 0.223 0.000 0.849 296 E CB -0.077 29.840 29.700 0.362 0.000 0.797 296 E HN 0.343 nan 8.360 nan 0.000 0.482 297 D N 0.780 121.301 120.400 0.202 0.000 2.419 297 D HA 0.039 4.684 4.640 0.009 0.000 0.236 297 D C -0.011 176.359 176.300 0.116 0.000 1.165 297 D CA 0.537 54.633 54.000 0.160 0.000 0.882 297 D CB 0.923 41.818 40.800 0.158 0.000 1.201 297 D HN 0.004 nan 8.370 nan 0.000 0.443 298 L N 1.216 122.514 121.223 0.126 0.000 2.322 298 L HA 0.445 4.791 4.340 0.009 0.000 0.281 298 L C -0.862 176.097 176.870 0.149 0.000 1.014 298 L CA -0.711 54.208 54.840 0.131 0.000 0.815 298 L CB 1.675 43.841 42.059 0.179 0.000 1.247 298 L HN 0.057 nan 8.230 nan 0.000 0.421 299 V N 4.514 124.500 119.914 0.120 0.000 2.876 299 V HA 0.453 4.578 4.120 0.009 0.000 0.312 299 V C -0.336 175.833 176.094 0.125 0.000 1.085 299 V CA -0.731 61.644 62.300 0.125 0.000 0.945 299 V CB 2.474 34.343 31.823 0.077 0.000 1.017 299 V HN 0.421 nan 8.190 nan 0.000 0.428 300 I N 3.395 124.068 120.570 0.171 0.000 2.297 300 I HA 0.695 4.870 4.170 0.009 0.000 0.291 300 I C 0.430 176.546 176.117 -0.001 0.000 1.033 300 I CA 0.171 61.557 61.300 0.144 0.000 1.253 300 I CB 0.856 39.057 38.000 0.334 0.000 1.396 300 I HN 0.803 nan 8.210 nan 0.000 0.476 301 A N 4.954 127.726 122.820 -0.081 0.000 2.435 301 A HA 0.972 5.297 4.320 0.009 0.000 0.296 301 A C -0.120 177.295 177.584 -0.281 0.000 1.147 301 A CA -0.540 51.395 52.037 -0.170 0.000 0.775 301 A CB 1.824 20.742 19.000 -0.137 0.000 1.340 301 A HN 0.716 nan 8.150 nan 0.000 0.427 302 G N -1.371 107.080 108.800 -0.583 0.000 2.533 302 G HA2 0.643 4.609 3.960 0.009 0.000 0.304 302 G HA3 0.643 4.609 3.960 0.009 0.000 0.304 302 G C -1.125 173.101 174.900 -1.124 0.000 1.263 302 G CA -0.473 44.203 45.100 -0.707 0.000 0.964 302 G HN 1.495 nan 8.290 nan 0.000 0.479 303 W N 0.502 121.455 121.300 -0.579 0.000 2.936 303 W HA 0.815 5.481 4.660 0.009 0.000 0.338 303 W C -0.755 175.818 176.519 0.091 0.000 1.121 303 W CA -1.702 55.448 57.345 -0.325 0.000 1.209 303 W CB 1.674 31.015 29.460 -0.198 0.000 1.420 303 W HN 0.541 nan 8.180 nan 0.000 0.516 304 R N 3.284 124.041 120.500 0.428 0.000 2.371 304 R HA 0.456 4.802 4.340 0.009 0.000 0.312 304 R C 1.093 177.568 176.300 0.291 0.000 0.980 304 R CA 0.430 56.693 56.100 0.271 0.000 0.867 304 R CB 0.832 31.281 30.300 0.249 0.000 1.163 304 R HN 1.125 nan 8.270 nan 0.000 0.492 305 G N 3.173 112.155 108.800 0.304 0.000 3.773 305 G HA2 -0.501 3.464 3.960 0.009 0.000 0.355 305 G HA3 -0.501 3.464 3.960 0.009 0.000 0.355 305 G C 0.811 175.854 174.900 0.237 0.000 1.323 305 G CA 1.182 46.433 45.100 0.253 0.000 1.103 305 G HN 0.575 nan 8.290 nan 0.000 0.716 306 E N 1.767 122.070 120.200 0.172 0.000 2.033 306 E HA 0.231 4.586 4.350 0.009 0.000 0.194 306 E C 1.553 178.236 176.600 0.138 0.000 0.960 306 E CA 1.103 57.574 56.400 0.119 0.000 0.842 306 E CB -0.367 29.382 29.700 0.082 0.000 0.816 306 E HN 0.844 nan 8.360 nan 0.000 0.468 307 E N -0.082 120.221 120.200 0.171 0.000 2.415 307 E HA 0.192 4.547 4.350 0.009 0.000 0.262 307 E C -0.607 176.158 176.600 0.276 0.000 1.038 307 E CA 0.036 56.556 56.400 0.200 0.000 0.921 307 E CB 1.109 30.942 29.700 0.221 0.000 0.950 307 E HN -0.024 nan 8.360 nan 0.000 0.438 308 S N 1.924 117.730 115.700 0.176 0.000 2.473 308 S HA 0.614 5.089 4.470 0.009 0.000 0.307 308 S C -1.405 173.241 174.600 0.076 0.000 1.094 308 S CA -0.913 57.308 58.200 0.035 0.000 1.070 308 S CB 0.113 63.304 63.200 -0.015 0.000 1.019 308 S HN 0.474 nan 8.310 nan 0.000 0.480 309 F N 2.200 122.207 119.950 0.094 0.000 2.565 309 F HA 0.735 5.267 4.527 0.009 0.000 0.313 309 F C -3.128 172.707 175.800 0.059 0.000 1.091 309 F CA -2.980 55.060 58.000 0.068 0.000 0.915 309 F CB 0.416 39.455 39.000 0.064 0.000 1.208 309 F HN 0.238 nan 8.300 nan 0.000 0.453 310 P HA 0.257 nan 4.420 nan 0.000 0.271 310 P C 0.060 177.465 177.300 0.174 0.000 1.226 310 P CA 0.024 63.197 63.100 0.121 0.000 0.765 310 P CB 0.988 32.757 31.700 0.115 0.000 0.835 311 L N 1.843 123.141 121.223 0.125 0.000 2.642 311 L HA 0.455 4.801 4.340 0.009 0.000 0.233 311 L C 1.021 178.089 176.870 0.331 0.000 1.077 311 L CA 0.165 55.119 54.840 0.189 0.000 0.879 311 L CB 0.297 42.340 42.059 -0.027 0.000 1.151 311 L HN 0.507 nan 8.230 nan 0.000 0.495 312 G N 0.235 109.198 108.800 0.272 0.000 2.655 312 G HA2 0.315 4.280 3.960 0.009 0.000 0.296 312 G HA3 0.315 4.280 3.960 0.009 0.000 0.296 312 G C -1.870 173.125 174.900 0.159 0.000 1.485 312 G CA -0.515 44.728 45.100 0.238 0.000 0.869 312 G HN -0.139 nan 8.290 nan 0.000 0.540 313 L N 2.517 123.781 121.223 0.068 0.000 2.342 313 L HA 0.559 4.904 4.340 0.009 0.000 0.285 313 L C 1.223 178.142 176.870 0.080 0.000 1.095 313 L CA -0.587 54.282 54.840 0.048 0.000 0.843 313 L CB 0.325 42.359 42.059 -0.043 0.000 1.201 313 L HN 0.855 nan 8.230 nan 0.000 0.445 314 A N 3.769 126.694 122.820 0.174 0.000 2.608 314 A HA 0.234 4.560 4.320 0.009 0.000 0.239 314 A C 1.425 178.983 177.584 -0.043 0.000 1.018 314 A CA 0.820 53.001 52.037 0.239 0.000 0.766 314 A CB -0.290 19.069 19.000 0.598 0.000 0.928 314 A HN 1.388 nan 8.150 nan 0.000 0.512 315 G N 0.815 109.389 108.800 -0.377 0.000 2.180 315 G HA2 -0.209 3.756 3.960 0.009 0.000 0.263 315 G HA3 -0.209 3.756 3.960 0.009 0.000 0.263 315 G C 0.610 175.529 174.900 0.031 0.000 0.989 315 G CA 0.912 45.817 45.100 -0.325 0.000 0.692 315 G HN 1.444 nan 8.290 nan 0.000 0.526 316 V N -1.487 118.411 119.914 -0.026 0.000 3.914 316 V HA 0.481 4.607 4.120 0.009 0.000 0.187 316 V C 1.838 177.888 176.094 -0.074 0.000 1.258 316 V CA 1.203 63.489 62.300 -0.022 0.000 1.298 316 V CB 0.248 32.068 31.823 -0.005 0.000 1.453 316 V HN 0.226 nan 8.190 nan 0.000 0.553 317 M N -1.245 118.300 119.600 -0.092 0.000 2.314 317 M HA 0.563 5.049 4.480 0.009 0.000 0.206 317 M C 1.139 177.299 176.300 -0.234 0.000 1.539 317 M CA 1.268 56.485 55.300 -0.138 0.000 1.845 317 M CB 0.982 33.523 32.600 -0.098 0.000 1.080 317 M HN 0.626 nan 8.290 nan 0.000 0.885 318 G N -0.923 107.777 108.800 -0.167 0.000 2.637 318 G HA2 0.113 4.078 3.960 0.009 0.000 0.211 318 G HA3 0.113 4.078 3.960 0.009 0.000 0.211 318 G C 0.521 175.353 174.900 -0.114 0.000 1.213 318 G CA 0.305 45.312 45.100 -0.156 0.000 1.207 318 G HN 1.294 nan 8.290 nan 0.000 0.559 319 G N 0.341 109.049 108.800 -0.154 0.000 5.186 319 G HA2 0.177 4.142 3.960 0.009 0.000 0.291 319 G HA3 0.177 4.142 3.960 0.009 0.000 0.291 319 G C 1.772 176.704 174.900 0.053 0.000 1.394 319 G CA 3.363 48.473 45.100 0.017 0.000 1.121 319 G HN 3.037 nan 8.290 nan 0.000 0.802 320 A N -0.454 122.374 122.820 0.015 0.000 5.251 320 A HA -0.253 4.073 4.320 0.009 0.000 0.334 320 A C 1.640 179.196 177.584 -0.046 0.000 1.764 320 A CA 3.970 56.013 52.037 0.010 0.000 0.708 320 A CB -1.540 17.498 19.000 0.063 0.000 1.420 320 A HN 2.298 nan 8.150 nan 0.000 0.394 321 E N -0.645 119.495 120.200 -0.100 0.000 2.514 321 E HA 0.269 4.624 4.350 0.009 0.000 0.215 321 E C 1.349 177.599 176.600 -0.584 0.000 0.946 321 E CA 0.871 57.097 56.400 -0.289 0.000 1.038 321 E CB -0.062 29.471 29.700 -0.278 0.000 1.069 321 E HN 0.967 nan 8.360 nan 0.000 0.503 322 S N 0.581 116.118 115.700 -0.271 0.000 2.515 322 S HA -0.097 4.378 4.470 0.009 0.000 0.231 322 S C 0.864 175.458 174.600 -0.010 0.000 0.987 322 S CA 0.180 58.315 58.200 -0.108 0.000 0.936 322 S CB -0.258 63.160 63.200 0.362 0.000 0.766 322 S HN 0.198 nan 8.310 nan 0.000 0.528 323 E N 2.309 122.479 120.200 -0.051 0.000 2.604 323 E HA 0.029 4.384 4.350 0.009 0.000 0.267 323 E C -0.537 176.011 176.600 -0.086 0.000 0.970 323 E CA 0.068 56.443 56.400 -0.042 0.000 0.956 323 E CB 0.371 30.046 29.700 -0.042 0.000 0.939 323 E HN 0.205 nan 8.360 nan 0.000 0.465 324 V N 6.082 125.930 119.914 -0.111 0.000 2.508 324 V HA 0.326 4.452 4.120 0.009 0.000 0.281 324 V C 0.817 176.874 176.094 -0.061 0.000 1.041 324 V CA 0.269 62.520 62.300 -0.083 0.000 1.016 324 V CB 0.415 32.163 31.823 -0.124 0.000 0.984 324 V HN 0.617 nan 8.190 nan 0.000 0.478 325 R N 2.081 122.562 120.500 -0.031 0.000 2.795 325 R HA 0.340 4.685 4.340 0.009 0.000 0.268 325 R C 0.770 177.063 176.300 -0.011 0.000 1.041 325 R CA -0.911 55.172 56.100 -0.028 0.000 0.927 325 R CB 1.343 31.625 30.300 -0.029 0.000 1.235 325 R HN 0.632 nan 8.270 nan 0.000 0.463 326 E N 0.964 121.155 120.200 -0.015 0.000 2.446 326 E HA -0.309 4.046 4.350 0.009 0.000 0.248 326 E C 0.134 176.736 176.600 0.004 0.000 1.081 326 E CA 2.065 58.459 56.400 -0.009 0.000 1.143 326 E CB -0.176 29.520 29.700 -0.007 0.000 1.012 326 E HN 0.538 nan 8.360 nan 0.000 0.487 327 D N 1.068 121.481 120.400 0.021 0.000 2.400 327 D HA 0.038 4.684 4.640 0.009 0.000 0.243 327 D C -0.120 176.211 176.300 0.052 0.000 1.184 327 D CA 0.223 54.245 54.000 0.036 0.000 0.853 327 D CB -0.040 40.789 40.800 0.048 0.000 0.944 327 D HN 0.055 nan 8.370 nan 0.000 0.501 328 T N 1.209 115.787 114.554 0.041 0.000 2.904 328 T HA 0.127 4.483 4.350 0.009 0.000 0.290 328 T C 1.357 176.084 174.700 0.045 0.000 1.018 328 T CA -0.268 61.864 62.100 0.053 0.000 1.075 328 T CB 1.598 70.483 68.868 0.029 0.000 0.986 328 T HN 0.200 nan 8.240 nan 0.000 0.523 329 E N -0.583 119.657 120.200 0.067 0.000 2.703 329 E HA 0.396 4.752 4.350 0.009 0.000 0.214 329 E C -0.309 176.360 176.600 0.115 0.000 0.944 329 E CA -0.366 56.079 56.400 0.075 0.000 1.299 329 E CB 0.157 29.910 29.700 0.088 0.000 1.189 329 E HN 0.611 nan 8.360 nan 0.000 0.597 330 A N 0.865 123.761 122.820 0.125 0.000 2.590 330 A HA 0.677 5.003 4.320 0.009 0.000 0.296 330 A C -1.342 176.337 177.584 0.160 0.000 1.050 330 A CA -0.597 51.549 52.037 0.181 0.000 0.697 330 A CB 0.594 19.813 19.000 0.366 0.000 1.277 330 A HN 0.406 nan 8.150 nan 0.000 0.411 331 I N -1.751 118.912 120.570 0.155 0.000 2.913 331 I HA 0.884 5.059 4.170 0.009 0.000 0.302 331 I C -0.189 176.024 176.117 0.161 0.000 1.246 331 I CA -1.109 60.267 61.300 0.127 0.000 1.010 331 I CB 2.288 40.315 38.000 0.045 0.000 1.259 331 I HN 1.102 nan 8.210 nan 0.000 0.434 332 A N 5.184 128.045 122.820 0.068 0.000 2.258 332 A HA 0.667 4.993 4.320 0.009 0.000 0.316 332 A C -0.729 176.965 177.584 0.183 0.000 1.279 332 A CA -0.538 51.489 52.037 -0.016 0.000 0.876 332 A CB 0.875 19.599 19.000 -0.460 0.000 1.170 332 A HN 0.778 nan 8.150 nan 0.000 0.520 333 L N 2.813 124.163 121.223 0.212 0.000 2.265 333 L HA 0.313 4.658 4.340 0.009 0.000 0.288 333 L C 0.252 177.253 176.870 0.218 0.000 1.058 333 L CA -0.133 54.807 54.840 0.166 0.000 0.809 333 L CB 1.030 43.163 42.059 0.124 0.000 1.179 333 L HN 0.846 nan 8.230 nan 0.000 0.429 334 E N 4.664 124.989 120.200 0.208 0.000 2.200 334 E HA 0.370 4.726 4.350 0.009 0.000 0.283 334 E C -1.684 174.940 176.600 0.039 0.000 1.015 334 E CA -0.476 56.030 56.400 0.177 0.000 0.819 334 E CB 1.460 31.367 29.700 0.344 0.000 1.081 334 E HN 0.403 nan 8.360 nan 0.000 0.397 335 V N 3.775 123.640 119.914 -0.082 0.000 2.568 335 V HA 0.510 4.636 4.120 0.009 0.000 0.276 335 V C -0.475 175.533 176.094 -0.144 0.000 1.002 335 V CA -0.485 61.788 62.300 -0.044 0.000 0.879 335 V CB 0.879 32.701 31.823 -0.001 0.000 1.040 335 V HN 0.767 nan 8.190 nan 0.000 0.457 336 A N 2.518 125.310 122.820 -0.047 0.000 2.486 336 A HA 0.912 5.237 4.320 0.009 0.000 0.289 336 A C -0.762 176.983 177.584 0.268 0.000 1.176 336 A CA -0.576 51.453 52.037 -0.014 0.000 0.757 336 A CB 2.073 20.909 19.000 -0.273 0.000 1.337 336 A HN 1.060 nan 8.150 nan 0.000 0.423 337 C N 0.716 120.120 119.300 0.174 0.000 2.316 337 C HA 0.804 5.269 4.460 0.009 0.000 0.324 337 C C -0.856 174.167 174.990 0.054 0.000 1.226 337 C CA -0.907 58.212 59.018 0.169 0.000 1.450 337 C CB -1.869 25.957 27.740 0.143 0.000 2.123 337 C HN 0.524 nan 8.230 nan 0.000 0.454 338 F N 2.678 122.305 119.950 -0.540 0.000 2.408 338 F HA 0.368 4.901 4.527 0.009 0.000 0.325 338 F C 0.584 176.254 175.800 -0.217 0.000 1.082 338 F CA -0.626 57.119 58.000 -0.425 0.000 1.032 338 F CB 0.919 39.498 39.000 -0.702 0.000 1.259 338 F HN 0.600 nan 8.300 nan 0.000 0.503 339 D N 2.035 122.465 120.400 0.051 0.000 2.317 339 D HA 0.195 4.841 4.640 0.009 0.000 0.252 339 D C -1.918 174.428 176.300 0.076 0.000 1.174 339 D CA -1.597 52.434 54.000 0.051 0.000 0.866 339 D CB 1.389 42.211 40.800 0.037 0.000 1.127 339 D HN 0.053 nan 8.370 nan 0.000 0.467 340 P HA -0.275 nan 4.420 nan 0.000 0.219 340 P C 1.232 178.587 177.300 0.092 0.000 1.161 340 P CA 1.347 64.508 63.100 0.101 0.000 0.909 340 P CB 0.088 31.842 31.700 0.089 0.000 0.793 341 V N -2.322 117.637 119.914 0.075 0.000 2.719 341 V HA -0.104 4.021 4.120 0.009 0.000 0.252 341 V C 2.087 178.225 176.094 0.074 0.000 1.065 341 V CA 1.917 64.257 62.300 0.068 0.000 1.086 341 V CB -1.582 30.274 31.823 0.054 0.000 0.700 341 V HN 0.066 nan 8.190 nan 0.000 0.467 342 S N 0.425 116.172 115.700 0.079 0.000 2.447 342 S HA 0.018 4.493 4.470 0.009 0.000 0.233 342 S C 1.776 176.441 174.600 0.108 0.000 1.006 342 S CA 1.215 59.469 58.200 0.089 0.000 0.957 342 S CB -0.172 63.080 63.200 0.087 0.000 0.773 342 S HN 0.449 nan 8.310 nan 0.000 0.507 343 I N 0.993 121.628 120.570 0.109 0.000 2.681 343 I HA 0.115 4.291 4.170 0.009 0.000 0.247 343 I C 2.433 178.612 176.117 0.103 0.000 1.091 343 I CA 0.612 61.979 61.300 0.111 0.000 1.442 343 I CB -1.132 36.938 38.000 0.117 0.000 1.219 343 I HN 0.210 nan 8.210 nan 0.000 0.451 344 R N 1.419 121.978 120.500 0.099 0.000 2.185 344 R HA -0.195 4.150 4.340 0.009 0.000 0.247 344 R C 1.948 178.290 176.300 0.070 0.000 1.159 344 R CA 1.428 57.580 56.100 0.086 0.000 0.988 344 R CB 0.179 30.528 30.300 0.081 0.000 0.871 344 R HN 0.241 nan 8.270 nan 0.000 0.458 345 K N -0.919 119.523 120.400 0.069 0.000 2.141 345 K HA 0.049 4.374 4.320 0.009 0.000 0.202 345 K C 2.055 178.693 176.600 0.063 0.000 1.045 345 K CA 1.355 57.674 56.287 0.052 0.000 0.971 345 K CB -0.381 32.146 32.500 0.045 0.000 0.795 345 K HN 0.111 nan 8.250 nan 0.000 0.459 346 T N 1.953 116.565 114.554 0.096 0.000 2.759 346 T HA -0.121 4.235 4.350 0.009 0.000 0.269 346 T C 1.949 176.752 174.700 0.173 0.000 1.042 346 T CA 1.618 63.807 62.100 0.148 0.000 1.140 346 T CB -0.144 68.814 68.868 0.150 0.000 0.864 346 T HN 0.322 nan 8.240 nan 0.000 0.455 347 A N 1.224 124.115 122.820 0.117 0.000 2.016 347 A HA 0.069 4.394 4.320 0.009 0.000 0.217 347 A C 2.249 179.882 177.584 0.082 0.000 1.162 347 A CA 0.604 52.703 52.037 0.102 0.000 0.662 347 A CB -0.203 18.844 19.000 0.080 0.000 0.812 347 A HN 0.327 nan 8.150 nan 0.000 0.450 348 R N -0.782 119.754 120.500 0.061 0.000 2.299 348 R HA 0.052 4.398 4.340 0.009 0.000 0.197 348 R C 2.118 178.423 176.300 0.009 0.000 0.971 348 R CA 0.711 56.829 56.100 0.031 0.000 1.030 348 R CB -0.036 30.278 30.300 0.023 0.000 0.932 348 R HN 0.626 nan 8.270 nan 0.000 0.477 349 R N 0.022 120.531 120.500 0.015 0.000 2.062 349 R HA -0.031 4.315 4.340 0.009 0.000 0.218 349 R C 1.055 177.292 176.300 -0.105 0.000 1.161 349 R CA 0.955 57.016 56.100 -0.065 0.000 0.994 349 R CB -0.162 30.084 30.300 -0.090 0.000 0.888 349 R HN 0.181 nan 8.270 nan 0.000 0.442 350 H N -0.427 118.643 119.070 -0.000 0.000 2.559 350 H HA 0.171 4.732 4.556 0.009 0.000 0.273 350 H C 0.576 175.905 175.328 0.002 0.000 1.000 350 H CA 1.241 57.293 56.048 0.006 0.000 1.195 350 H CB 0.348 30.120 29.762 0.017 0.000 1.368 350 H HN 0.728 nan 8.280 nan 0.000 0.592 351 G N 0.239 109.084 108.800 0.075 0.000 2.212 351 G HA2 -0.259 3.707 3.960 0.009 0.000 0.255 351 G HA3 -0.259 3.707 3.960 0.009 0.000 0.255 351 G C -0.237 174.690 174.900 0.046 0.000 1.062 351 G CA -0.042 45.083 45.100 0.042 0.000 0.815 351 G HN 0.281 nan 8.290 nan 0.000 0.497 352 L N 0.168 121.425 121.223 0.056 0.000 2.325 352 L HA 0.764 5.110 4.340 0.009 0.000 0.278 352 L C 0.780 177.659 176.870 0.014 0.000 1.023 352 L CA -1.286 53.573 54.840 0.033 0.000 0.811 352 L CB 1.494 43.574 42.059 0.034 0.000 1.249 352 L HN 0.271 nan 8.230 nan 0.000 0.431 353 R N 0.809 121.305 120.500 -0.006 0.000 2.738 353 R HA 0.253 4.599 4.340 0.009 0.000 0.280 353 R C -0.751 175.531 176.300 -0.031 0.000 1.456 353 R CA -0.610 55.473 56.100 -0.029 0.000 1.612 353 R CB -0.848 29.424 30.300 -0.047 0.000 1.286 353 R HN 0.518 nan 8.270 nan 0.000 0.660 354 T N -1.630 112.916 114.554 -0.014 0.000 2.904 354 T HA 0.197 4.553 4.350 0.009 0.000 0.290 354 T C 0.990 175.691 174.700 0.002 0.000 1.018 354 T CA -0.595 61.493 62.100 -0.020 0.000 1.075 354 T CB 2.045 70.888 68.868 -0.040 0.000 0.986 354 T HN 0.168 nan 8.240 nan 0.000 0.523 355 E N 1.282 121.474 120.200 -0.014 0.000 2.160 355 E HA -0.071 4.284 4.350 0.009 0.000 0.195 355 E C 2.176 178.741 176.600 -0.059 0.000 0.991 355 E CA 1.582 57.982 56.400 -0.000 0.000 0.810 355 E CB -0.678 29.008 29.700 -0.024 0.000 0.742 355 E HN 0.817 nan 8.360 nan 0.000 0.466 356 A N -0.218 122.535 122.820 -0.112 0.000 1.970 356 A HA -0.078 4.248 4.320 0.009 0.000 0.216 356 A C 2.286 179.730 177.584 -0.234 0.000 1.170 356 A CA 1.546 53.441 52.037 -0.237 0.000 0.645 356 A CB -0.581 18.283 19.000 -0.227 0.000 0.816 356 A HN 0.364 nan 8.150 nan 0.000 0.447 357 S N -0.601 115.064 115.700 -0.058 0.000 2.345 357 S HA -0.236 4.239 4.470 0.009 0.000 0.219 357 S C 1.964 176.618 174.600 0.090 0.000 1.031 357 S CA 1.489 59.718 58.200 0.049 0.000 0.984 357 S CB -0.993 62.245 63.200 0.065 0.000 0.874 357 S HN 0.646 nan 8.310 nan 0.000 0.451 358 H N 2.112 121.160 119.070 -0.036 0.000 2.368 358 H HA -0.094 4.467 4.556 0.009 0.000 0.292 358 H C 2.229 177.531 175.328 -0.042 0.000 1.117 358 H CA 2.365 58.396 56.048 -0.029 0.000 1.231 358 H CB -0.488 29.248 29.762 -0.044 0.000 1.359 358 H HN 0.324 nan 8.280 nan 0.000 0.490 359 R N -0.836 119.573 120.500 -0.151 0.000 2.066 359 R HA -0.015 4.331 4.340 0.009 0.000 0.232 359 R C 2.634 178.850 176.300 -0.141 0.000 1.131 359 R CA 1.728 57.664 56.100 -0.274 0.000 0.955 359 R CB -0.754 29.312 30.300 -0.390 0.000 0.851 359 R HN 0.409 nan 8.270 nan 0.000 0.432 360 F N 0.330 120.243 119.950 -0.060 0.000 2.206 360 F HA -0.135 4.397 4.527 0.009 0.000 0.298 360 F C 2.363 178.168 175.800 0.009 0.000 1.090 360 F CA 0.970 58.952 58.000 -0.031 0.000 1.323 360 F CB -0.031 38.929 39.000 -0.068 0.000 1.028 360 F HN 0.230 nan 8.300 nan 0.000 0.492 361 E N 0.766 121.090 120.200 0.208 0.000 2.204 361 E HA -0.244 4.111 4.350 0.009 0.000 0.194 361 E C 2.120 178.782 176.600 0.105 0.000 0.989 361 E CA 0.938 57.426 56.400 0.146 0.000 0.824 361 E CB -0.089 29.694 29.700 0.139 0.000 0.756 361 E HN 0.273 nan 8.360 nan 0.000 0.477 362 R N 0.176 120.715 120.500 0.064 0.000 2.066 362 R HA 0.177 4.522 4.340 0.009 0.000 0.224 362 R C 0.249 176.582 176.300 0.055 0.000 1.122 362 R CA 1.296 57.413 56.100 0.028 0.000 0.974 362 R CB 0.373 30.637 30.300 -0.059 0.000 0.871 362 R HN 0.260 nan 8.270 nan 0.000 0.435 363 G N -1.361 107.488 108.800 0.082 0.000 2.316 363 G HA2 0.179 4.144 3.960 0.009 0.000 0.468 363 G HA3 0.179 4.144 3.960 0.009 0.000 0.468 363 G C -1.763 173.204 174.900 0.111 0.000 1.523 363 G CA -0.687 44.484 45.100 0.117 0.000 0.972 363 G HN 0.126 nan 8.290 nan 0.000 0.667 364 V N 0.644 120.654 119.914 0.159 0.000 2.962 364 V HA 0.566 4.692 4.120 0.009 0.000 0.313 364 V C -0.030 176.125 176.094 0.102 0.000 1.099 364 V CA -0.713 61.661 62.300 0.123 0.000 0.971 364 V CB 1.984 33.926 31.823 0.199 0.000 1.028 364 V HN 0.983 nan 8.190 nan 0.000 0.430 365 D N 5.225 125.666 120.400 0.068 0.000 2.518 365 D HA -0.017 4.629 4.640 0.009 0.000 0.270 365 D C -1.538 174.800 176.300 0.063 0.000 1.338 365 D CA -1.020 53.023 54.000 0.071 0.000 0.983 365 D CB 0.855 41.688 40.800 0.055 0.000 1.126 365 D HN 0.297 nan 8.370 nan 0.000 0.543 366 P HA 0.011 nan 4.420 nan 0.000 0.269 366 P C 0.219 177.596 177.300 0.128 0.000 1.601 366 P CA 0.312 63.476 63.100 0.106 0.000 0.831 366 P CB -0.121 31.649 31.700 0.117 0.000 1.688 367 L N -2.197 119.061 121.223 0.058 0.000 3.859 367 L HA 0.243 4.589 4.340 0.009 0.000 0.385 367 L C 1.303 178.183 176.870 0.016 0.000 1.296 367 L CA -0.035 54.849 54.840 0.073 0.000 1.178 367 L CB 0.148 42.266 42.059 0.099 0.000 1.409 367 L HN -0.023 nan 8.230 nan 0.000 0.600 368 G N -1.143 107.637 108.800 -0.034 0.000 3.192 368 G HA2 0.048 4.014 3.960 0.009 0.000 0.239 368 G HA3 0.048 4.014 3.960 0.009 0.000 0.239 368 G C 0.904 175.766 174.900 -0.063 0.000 1.084 368 G CA 0.021 45.102 45.100 -0.031 0.000 0.784 368 G HN 0.127 nan 8.290 nan 0.000 0.540 369 Q N 0.559 120.272 119.800 -0.144 0.000 2.084 369 Q HA -0.033 4.312 4.340 0.009 0.000 0.202 369 Q C 2.721 178.688 176.000 -0.056 0.000 0.978 369 Q CA 1.214 56.933 55.803 -0.139 0.000 0.844 369 Q CB -0.585 27.974 28.738 -0.299 0.000 0.898 369 Q HN 0.334 nan 8.270 nan 0.000 0.426 370 V N 1.802 121.698 119.914 -0.030 0.000 2.261 370 V HA -0.189 3.937 4.120 0.009 0.000 0.246 370 V C -0.821 175.291 176.094 0.030 0.000 1.047 370 V CA 2.096 64.416 62.300 0.034 0.000 1.015 370 V CB -1.880 29.985 31.823 0.069 0.000 0.642 370 V HN 0.326 nan 8.190 nan 0.000 0.446 371 P HA -0.159 nan 4.420 nan 0.000 0.217 371 P C 1.646 178.953 177.300 0.012 0.000 1.150 371 P CA 2.138 65.247 63.100 0.015 0.000 0.832 371 P CB -0.077 31.625 31.700 0.004 0.000 0.787 372 A N 0.096 122.916 122.820 0.000 0.000 1.933 372 A HA -0.220 4.106 4.320 0.009 0.000 0.218 372 A C 2.433 180.031 177.584 0.023 0.000 1.175 372 A CA 1.423 53.461 52.037 0.002 0.000 0.628 372 A CB -1.176 17.815 19.000 -0.014 0.000 0.814 372 A HN 0.094 nan 8.150 nan 0.000 0.444 373 Q N -0.168 119.651 119.800 0.032 0.000 1.975 373 Q HA -0.199 4.146 4.340 0.009 0.000 0.205 373 Q C 2.314 178.344 176.000 0.050 0.000 0.990 373 Q CA 1.880 57.714 55.803 0.052 0.000 0.845 373 Q CB -0.480 28.300 28.738 0.070 0.000 0.913 373 Q HN 0.712 nan 8.270 nan 0.000 0.420 374 R N 0.064 120.592 120.500 0.046 0.000 2.113 374 R HA -0.156 4.189 4.340 0.009 0.000 0.244 374 R C 2.434 178.759 176.300 0.042 0.000 1.142 374 R CA 1.181 57.306 56.100 0.042 0.000 0.953 374 R CB -0.309 30.014 30.300 0.038 0.000 0.860 374 R HN 0.136 nan 8.270 nan 0.000 0.438 375 R N 0.644 121.172 120.500 0.046 0.000 2.097 375 R HA -0.160 4.186 4.340 0.009 0.000 0.236 375 R C 2.212 178.552 176.300 0.067 0.000 1.135 375 R CA 2.075 58.214 56.100 0.065 0.000 0.934 375 R CB -0.786 29.560 30.300 0.077 0.000 0.846 375 R HN 0.302 nan 8.270 nan 0.000 0.431 376 A N 0.894 123.750 122.820 0.061 0.000 1.883 376 A HA -0.165 4.160 4.320 0.009 0.000 0.217 376 A C 2.501 180.099 177.584 0.024 0.000 1.186 376 A CA 1.598 53.664 52.037 0.049 0.000 0.624 376 A CB -0.621 18.404 19.000 0.042 0.000 0.822 376 A HN 0.313 nan 8.150 nan 0.000 0.444 377 L N -1.053 120.184 121.223 0.024 0.000 2.027 377 L HA -0.114 4.231 4.340 0.009 0.000 0.206 377 L C 2.843 179.708 176.870 -0.008 0.000 1.074 377 L CA 1.469 56.312 54.840 0.004 0.000 0.745 377 L CB -0.684 41.386 42.059 0.017 0.000 0.898 377 L HN 0.441 nan 8.230 nan 0.000 0.433 378 S N 0.051 115.755 115.700 0.007 0.000 2.383 378 S HA -0.179 4.296 4.470 0.009 0.000 0.229 378 S C 2.026 176.626 174.600 0.001 0.000 1.030 378 S CA 1.237 59.440 58.200 0.003 0.000 1.002 378 S CB -0.222 62.989 63.200 0.018 0.000 0.829 378 S HN 0.281 nan 8.310 nan 0.000 0.467 379 L N 0.246 121.477 121.223 0.013 0.000 1.961 379 L HA -0.082 4.264 4.340 0.009 0.000 0.210 379 L C 2.431 179.283 176.870 -0.030 0.000 1.072 379 L CA 1.260 56.103 54.840 0.005 0.000 0.749 379 L CB -0.498 41.575 42.059 0.022 0.000 0.889 379 L HN 0.334 nan 8.230 nan 0.000 0.432 380 L N -0.124 121.076 121.223 -0.038 0.000 2.089 380 L HA -0.319 4.027 4.340 0.009 0.000 0.213 380 L C 2.558 179.382 176.870 -0.077 0.000 1.079 380 L CA 1.828 56.630 54.840 -0.063 0.000 0.758 380 L CB -0.650 41.374 42.059 -0.058 0.000 0.891 380 L HN 0.350 nan 8.230 nan 0.000 0.433 381 Q N -1.705 118.053 119.800 -0.070 0.000 2.119 381 Q HA -0.146 4.200 4.340 0.009 0.000 0.201 381 Q C 2.062 178.022 176.000 -0.067 0.000 0.972 381 Q CA 1.584 57.337 55.803 -0.084 0.000 0.847 381 Q CB -0.040 28.656 28.738 -0.070 0.000 0.903 381 Q HN 0.578 nan 8.270 nan 0.000 0.433 382 A N 0.514 123.307 122.820 -0.045 0.000 1.823 382 A HA -0.114 4.211 4.320 0.009 0.000 0.214 382 A C 1.873 179.433 177.584 -0.041 0.000 1.225 382 A CA 1.062 53.081 52.037 -0.030 0.000 0.604 382 A CB -0.947 18.049 19.000 -0.005 0.000 0.878 382 A HN 0.401 nan 8.150 nan 0.000 0.450 383 L N -0.654 120.539 121.223 -0.051 0.000 2.051 383 L HA -0.222 4.123 4.340 0.009 0.000 0.214 383 L C 2.584 179.403 176.870 -0.085 0.000 1.076 383 L CA 2.471 57.263 54.840 -0.081 0.000 0.758 383 L CB -1.706 40.273 42.059 -0.134 0.000 0.890 383 L HN 0.527 nan 8.230 nan 0.000 0.433 384 A N -2.334 120.435 122.820 -0.086 0.000 2.390 384 A HA 0.474 4.799 4.320 0.009 0.000 0.232 384 A C 1.814 179.344 177.584 -0.090 0.000 1.233 384 A CA 0.841 52.826 52.037 -0.086 0.000 0.907 384 A CB 0.184 19.130 19.000 -0.091 0.000 0.967 384 A HN 0.514 nan 8.150 nan 0.000 0.512 385 G N -0.058 108.688 108.800 -0.089 0.000 2.550 385 G HA2 -0.022 3.944 3.960 0.009 0.000 0.233 385 G HA3 -0.022 3.944 3.960 0.009 0.000 0.233 385 G C 0.962 175.772 174.900 -0.151 0.000 1.170 385 G CA 0.556 45.596 45.100 -0.099 0.000 0.693 385 G HN 2.000 nan 8.290 nan 0.000 0.512 386 A N 0.736 123.443 122.820 -0.188 0.000 2.545 386 A HA 0.245 4.571 4.320 0.009 0.000 0.251 386 A C 0.754 178.105 177.584 -0.390 0.000 1.021 386 A CA 1.781 53.633 52.037 -0.309 0.000 0.970 386 A CB -0.097 18.743 19.000 -0.266 0.000 0.842 386 A HN 0.910 nan 8.150 nan 0.000 0.430 387 R N 0.855 120.935 120.500 -0.700 0.000 2.265 387 R HA 0.481 4.826 4.340 0.009 0.000 0.319 387 R C 0.034 175.930 176.300 -0.674 0.000 1.006 387 R CA -0.286 55.429 56.100 -0.642 0.000 0.880 387 R CB 1.424 31.267 30.300 -0.762 0.000 1.077 387 R HN 0.783 nan 8.270 nan 0.000 0.454 388 V N -0.238 119.522 119.914 -0.256 0.000 2.732 388 V HA 0.842 4.967 4.120 0.009 0.000 0.310 388 V C 0.001 176.145 176.094 0.083 0.000 1.053 388 V CA -1.107 61.133 62.300 -0.100 0.000 0.957 388 V CB 1.771 33.561 31.823 -0.055 0.000 1.018 388 V HN 0.799 nan 8.190 nan 0.000 0.452 389 A N 2.336 125.264 122.820 0.180 0.000 2.274 389 A HA 0.478 4.804 4.320 0.009 0.000 0.309 389 A C 0.282 177.964 177.584 0.163 0.000 1.226 389 A CA -0.466 51.721 52.037 0.250 0.000 0.853 389 A CB 0.342 19.594 19.000 0.420 0.000 1.146 389 A HN 1.038 nan 8.150 nan 0.000 0.518 390 E N 2.139 122.412 120.200 0.123 0.000 1.775 390 E HA 0.425 4.780 4.350 0.009 0.000 0.266 390 E C -0.412 176.239 176.600 0.084 0.000 1.191 390 E CA 0.211 56.665 56.400 0.089 0.000 1.048 390 E CB -0.160 29.582 29.700 0.069 0.000 1.081 390 E HN 0.916 nan 8.360 nan 0.000 0.434 391 A N 5.207 128.082 122.820 0.092 0.000 1.668 391 A HA 0.223 4.549 4.320 0.009 0.000 0.256 391 A C -1.289 176.344 177.584 0.082 0.000 0.976 391 A CA -0.720 51.359 52.037 0.069 0.000 0.862 391 A CB -0.420 18.607 19.000 0.045 0.000 0.979 391 A HN 0.495 nan 8.150 nan 0.000 0.330 392 L N 1.182 122.459 121.223 0.090 0.000 2.376 392 L HA 0.704 5.050 4.340 0.009 0.000 0.267 392 L C -0.212 176.715 176.870 0.096 0.000 1.035 392 L CA -1.147 53.766 54.840 0.121 0.000 0.800 392 L CB 0.941 43.088 42.059 0.146 0.000 1.290 392 L HN 0.539 nan 8.230 nan 0.000 0.462 393 L N 1.403 122.710 121.223 0.142 0.000 2.426 393 L HA 0.289 4.634 4.340 0.009 0.000 0.255 393 L C -0.016 176.973 176.870 0.198 0.000 1.080 393 L CA 0.222 55.140 54.840 0.130 0.000 0.960 393 L CB 0.320 42.454 42.059 0.126 0.000 1.326 393 L HN 0.439 nan 8.230 nan 0.000 0.441 394 E N 2.203 122.499 120.200 0.160 0.000 2.217 394 E HA 0.465 4.820 4.350 0.009 0.000 0.279 394 E C -0.505 176.170 176.600 0.124 0.000 1.068 394 E CA -0.218 56.289 56.400 0.180 0.000 0.882 394 E CB 1.017 30.805 29.700 0.147 0.000 1.039 394 E HN 0.508 nan 8.360 nan 0.000 0.418 395 A N 3.420 126.336 122.820 0.159 0.000 2.409 395 A HA 0.644 4.970 4.320 0.009 0.000 0.300 395 A C -0.107 177.492 177.584 0.025 0.000 1.273 395 A CA 0.010 52.093 52.037 0.077 0.000 0.774 395 A CB 0.924 19.966 19.000 0.071 0.000 1.144 395 A HN 0.602 nan 8.150 nan 0.000 0.472 396 G N 0.593 109.345 108.800 -0.079 0.000 3.162 396 G HA2 0.288 4.254 3.960 0.009 0.000 0.599 396 G HA3 0.288 4.254 3.960 0.009 0.000 0.599 396 G C -0.556 174.152 174.900 -0.319 0.000 1.335 396 G CA -0.205 44.803 45.100 -0.153 0.000 1.091 396 G HN 1.039 nan 8.290 nan 0.000 0.570 397 S N 3.331 118.913 115.700 -0.196 0.000 2.438 397 S HA 0.789 5.264 4.470 0.009 0.000 0.293 397 S C -1.234 173.280 174.600 -0.142 0.000 1.141 397 S CA -0.841 57.252 58.200 -0.179 0.000 1.080 397 S CB 0.936 64.085 63.200 -0.086 0.000 0.978 397 S HN 0.729 nan 8.310 nan 0.000 0.479 398 P HA 0.462 nan 4.420 nan 0.000 0.285 398 P C -1.540 175.774 177.300 0.024 0.000 1.269 398 P CA -0.860 62.241 63.100 0.001 0.000 0.844 398 P CB 0.851 32.638 31.700 0.146 0.000 1.094 399 K N 2.081 122.504 120.400 0.037 0.000 2.307 399 K HA 0.462 4.787 4.320 0.009 0.000 0.263 399 K C -2.371 174.253 176.600 0.040 0.000 0.973 399 K CA -1.713 54.592 56.287 0.031 0.000 0.846 399 K CB 0.515 33.028 32.500 0.022 0.000 1.100 399 K HN 0.329 nan 8.250 nan 0.000 0.438 400 P HA 0.018 nan 4.420 nan 0.000 0.265 400 P C -2.166 175.150 177.300 0.028 0.000 1.187 400 P CA -0.646 62.475 63.100 0.035 0.000 0.766 400 P CB -0.214 31.505 31.700 0.031 0.000 0.820 401 P HA -0.036 nan 4.420 nan 0.000 0.267 401 P C -0.158 177.152 177.300 0.016 0.000 1.195 401 P CA 0.335 63.444 63.100 0.015 0.000 0.773 401 P CB 0.748 32.449 31.700 0.000 0.000 0.837 402 E N 0.184 120.394 120.200 0.017 0.000 2.343 402 E HA 0.401 4.756 4.350 0.009 0.000 0.269 402 E C -0.133 176.481 176.600 0.023 0.000 1.047 402 E CA -0.445 55.967 56.400 0.021 0.000 0.874 402 E CB 1.289 31.003 29.700 0.023 0.000 1.033 402 E HN 0.508 nan 8.360 nan 0.000 0.409 403 A N 4.091 126.928 122.820 0.029 0.000 2.301 403 A HA 0.477 4.803 4.320 0.009 0.000 0.298 403 A C 0.201 177.817 177.584 0.053 0.000 1.185 403 A CA -0.556 51.504 52.037 0.039 0.000 0.830 403 A CB 0.117 19.142 19.000 0.041 0.000 1.112 403 A HN 0.506 nan 8.150 nan 0.000 0.508 404 I N 2.328 122.940 120.570 0.070 0.000 2.428 404 I HA 0.296 4.472 4.170 0.009 0.000 0.296 404 I C -1.955 174.250 176.117 0.147 0.000 0.985 404 I CA -2.219 59.141 61.300 0.100 0.000 1.260 404 I CB 1.200 39.266 38.000 0.108 0.000 1.389 404 I HN 0.377 nan 8.210 nan 0.000 0.484 405 P HA -0.242 nan 4.420 nan 0.000 0.212 405 P C 0.348 177.800 177.300 0.252 0.000 1.174 405 P CA 1.196 64.384 63.100 0.147 0.000 0.934 405 P CB -0.018 31.735 31.700 0.087 0.000 0.791 406 F N -0.963 119.063 119.950 0.126 0.000 2.034 406 F HA -0.250 4.283 4.527 0.009 0.000 0.245 406 F C -0.152 175.773 175.800 0.209 0.000 1.038 406 F CA 0.344 58.438 58.000 0.156 0.000 0.899 406 F CB -0.404 38.659 39.000 0.106 0.000 1.264 406 F HN -0.002 nan 8.300 nan 0.000 0.754 407 R N 6.921 127.205 120.500 -0.359 0.000 2.246 407 R HA 0.281 4.627 4.340 0.009 0.000 0.332 407 R C -1.830 174.153 176.300 -0.528 0.000 0.974 407 R CA -1.609 54.383 56.100 -0.180 0.000 0.837 407 R CB 1.027 31.291 30.300 -0.059 0.000 1.145 407 R HN 0.224 nan 8.270 nan 0.000 0.467 408 P HA -0.307 nan 4.420 nan 0.000 0.217 408 P C 0.981 178.192 177.300 -0.147 0.000 1.158 408 P CA 1.382 64.349 63.100 -0.221 0.000 0.887 408 P CB 0.267 32.017 31.700 0.083 0.000 0.792 409 E N -1.164 119.006 120.200 -0.051 0.000 2.265 409 E HA -0.234 4.121 4.350 0.009 0.000 0.196 409 E C 1.949 178.550 176.600 0.001 0.000 0.996 409 E CA 1.166 57.562 56.400 -0.007 0.000 0.832 409 E CB -1.449 28.264 29.700 0.022 0.000 0.756 409 E HN 0.342 nan 8.360 nan 0.000 0.491 410 Y N 2.348 122.544 120.300 -0.174 0.000 2.200 410 Y HA 0.068 4.623 4.550 0.009 0.000 0.290 410 Y C 2.542 178.363 175.900 -0.130 0.000 1.137 410 Y CA 1.125 59.133 58.100 -0.153 0.000 1.163 410 Y CB -0.802 37.540 38.460 -0.197 0.000 0.988 410 Y HN 0.070 nan 8.280 nan 0.000 0.518 411 A N 0.700 123.274 122.820 -0.409 0.000 1.940 411 A HA -0.251 4.075 4.320 0.009 0.000 0.219 411 A C 2.119 179.596 177.584 -0.178 0.000 1.176 411 A CA 2.074 53.897 52.037 -0.358 0.000 0.631 411 A CB -0.782 18.151 19.000 -0.113 0.000 0.814 411 A HN 0.559 nan 8.150 nan 0.000 0.446 412 N N -0.856 117.796 118.700 -0.080 0.000 2.250 412 N HA -0.083 4.663 4.740 0.009 0.000 0.181 412 N C 1.785 177.259 175.510 -0.061 0.000 1.017 412 N CA 1.212 54.244 53.050 -0.030 0.000 0.866 412 N CB -0.387 38.099 38.487 -0.001 0.000 0.985 412 N HN 0.617 nan 8.380 nan 0.000 0.429 413 R N 0.121 120.593 120.500 -0.047 0.000 2.189 413 R HA -0.001 4.344 4.340 0.009 0.000 0.223 413 R C 1.706 177.987 176.300 -0.033 0.000 1.092 413 R CA 0.681 56.775 56.100 -0.010 0.000 0.989 413 R CB -0.057 30.282 30.300 0.066 0.000 0.876 413 R HN 0.115 nan 8.270 nan 0.000 0.457 414 L N -0.124 121.027 121.223 -0.121 0.000 2.253 414 L HA 0.127 4.472 4.340 0.009 0.000 0.205 414 L C 1.542 178.341 176.870 -0.118 0.000 1.078 414 L CA 1.261 56.012 54.840 -0.149 0.000 0.805 414 L CB 0.146 41.976 42.059 -0.382 0.000 0.963 414 L HN 0.153 nan 8.230 nan 0.000 0.459 415 L N -0.789 120.364 121.223 -0.115 0.000 2.509 415 L HA 0.286 4.632 4.340 0.009 0.000 0.222 415 L C 1.608 178.416 176.870 -0.103 0.000 1.123 415 L CA 0.641 55.423 54.840 -0.096 0.000 0.856 415 L CB -0.549 41.490 42.059 -0.033 0.000 0.985 415 L HN 0.462 nan 8.230 nan 0.000 0.456 416 G N 0.392 109.136 108.800 -0.094 0.000 2.162 416 G HA2 -0.325 3.641 3.960 0.009 0.000 0.260 416 G HA3 -0.325 3.641 3.960 0.009 0.000 0.260 416 G C 0.519 175.340 174.900 -0.131 0.000 0.976 416 G CA 0.606 45.652 45.100 -0.091 0.000 0.655 416 G HN 0.408 nan 8.290 nan 0.000 0.533 417 T N -3.327 111.117 114.554 -0.184 0.000 2.994 417 T HA 0.697 5.053 4.350 0.009 0.000 0.322 417 T C 0.835 175.378 174.700 -0.261 0.000 1.199 417 T CA 0.593 62.499 62.100 -0.323 0.000 0.945 417 T CB 1.841 70.309 68.868 -0.667 0.000 1.754 417 T HN 0.957 nan 8.240 nan 0.000 0.571 418 S N -0.381 115.102 115.700 -0.361 0.000 2.745 418 S HA 0.280 4.756 4.470 0.009 0.000 0.232 418 S C -1.374 173.150 174.600 -0.127 0.000 0.804 418 S CA -0.745 57.348 58.200 -0.177 0.000 1.071 418 S CB -0.783 62.338 63.200 -0.131 0.000 1.480 418 S HN 0.547 nan 8.310 nan 0.000 0.467 419 Y N 2.017 122.309 120.300 -0.014 0.000 2.511 419 Y HA 0.315 4.870 4.550 0.009 0.000 0.332 419 Y C -1.979 173.921 175.900 -0.000 0.000 1.177 419 Y CA -1.475 56.621 58.100 -0.007 0.000 1.422 419 Y CB -0.078 38.379 38.460 -0.005 0.000 1.271 419 Y HN 0.279 nan 8.280 nan 0.000 0.550 420 P HA 0.001 nan 4.420 nan 0.000 0.272 420 P C 0.553 177.905 177.300 0.086 0.000 1.230 420 P CA -0.154 63.000 63.100 0.090 0.000 0.788 420 P CB 0.851 32.589 31.700 0.063 0.000 0.949 421 E N 1.826 122.066 120.200 0.067 0.000 2.007 421 E HA -0.302 4.054 4.350 0.009 0.000 0.203 421 E C 1.982 178.584 176.600 0.002 0.000 1.020 421 E CA 1.886 58.314 56.400 0.047 0.000 0.845 421 E CB -0.682 29.054 29.700 0.061 0.000 0.779 421 E HN 0.453 nan 8.360 nan 0.000 0.466 422 A N 1.178 124.001 122.820 0.005 0.000 1.923 422 A HA -0.388 3.938 4.320 0.009 0.000 0.222 422 A C 2.002 179.566 177.584 -0.033 0.000 1.258 422 A CA 2.509 54.538 52.037 -0.013 0.000 0.670 422 A CB -1.088 17.917 19.000 0.008 0.000 0.834 422 A HN 0.463 nan 8.150 nan 0.000 0.470 423 E N -0.547 119.645 120.200 -0.013 0.000 2.058 423 E HA -0.285 4.071 4.350 0.009 0.000 0.194 423 E C 2.331 178.888 176.600 -0.072 0.000 0.997 423 E CA 1.683 58.066 56.400 -0.028 0.000 0.801 423 E CB -0.343 29.364 29.700 0.011 0.000 0.746 423 E HN 1.003 nan 8.360 nan 0.000 0.450 424 Q N 0.245 120.008 119.800 -0.061 0.000 2.297 424 Q HA -0.091 4.255 4.340 0.009 0.000 0.204 424 Q C 2.098 177.995 176.000 -0.171 0.000 0.962 424 Q CA 0.702 56.441 55.803 -0.107 0.000 0.879 424 Q CB -0.069 28.660 28.738 -0.015 0.000 0.947 424 Q HN 0.189 nan 8.270 nan 0.000 0.462 425 I N 2.280 122.754 120.570 -0.160 0.000 2.094 425 I HA -0.230 3.945 4.170 0.009 0.000 0.234 425 I C 2.657 178.670 176.117 -0.173 0.000 1.063 425 I CA 1.403 62.575 61.300 -0.213 0.000 1.328 425 I CB -1.727 36.160 38.000 -0.189 0.000 1.058 425 I HN 0.309 nan 8.210 nan 0.000 0.400 426 A N 1.649 124.395 122.820 -0.123 0.000 1.969 426 A HA -0.276 4.050 4.320 0.009 0.000 0.223 426 A C 2.194 179.698 177.584 -0.133 0.000 1.218 426 A CA 2.211 54.184 52.037 -0.108 0.000 0.667 426 A CB -0.975 17.974 19.000 -0.085 0.000 0.826 426 A HN 0.412 nan 8.150 nan 0.000 0.472 427 I N -0.409 120.068 120.570 -0.155 0.000 2.151 427 I HA -0.267 3.909 4.170 0.009 0.000 0.243 427 I C 2.542 178.556 176.117 -0.172 0.000 1.080 427 I CA 1.526 62.725 61.300 -0.169 0.000 1.339 427 I CB -1.523 36.359 38.000 -0.197 0.000 1.039 427 I HN 0.362 nan 8.210 nan 0.000 0.409 428 L N -0.145 120.954 121.223 -0.207 0.000 2.049 428 L HA -0.109 4.236 4.340 0.009 0.000 0.203 428 L C 2.466 179.251 176.870 -0.142 0.000 1.074 428 L CA 0.914 55.632 54.840 -0.204 0.000 0.749 428 L CB -0.763 41.114 42.059 -0.303 0.000 0.907 428 L HN 0.169 nan 8.230 nan 0.000 0.439 429 K N 0.346 120.666 120.400 -0.134 0.000 2.362 429 K HA -0.177 4.148 4.320 0.009 0.000 0.202 429 K C 1.785 178.350 176.600 -0.059 0.000 1.045 429 K CA 1.191 57.429 56.287 -0.082 0.000 0.936 429 K CB 0.100 32.557 32.500 -0.072 0.000 0.747 429 K HN 0.135 nan 8.250 nan 0.000 0.467 430 R N -0.114 120.333 120.500 -0.089 0.000 2.543 430 R HA 0.203 4.548 4.340 0.009 0.000 0.323 430 R C 0.944 177.171 176.300 -0.121 0.000 1.002 430 R CA -0.125 55.913 56.100 -0.104 0.000 1.106 430 R CB 0.528 30.721 30.300 -0.179 0.000 1.280 430 R HN 0.101 nan 8.270 nan 0.000 0.549 431 L N -0.515 120.664 121.223 -0.074 0.000 2.640 431 L HA 0.304 4.650 4.340 0.009 0.000 0.230 431 L C 0.401 177.281 176.870 0.017 0.000 1.123 431 L CA 0.411 55.230 54.840 -0.035 0.000 0.900 431 L CB 0.987 43.006 42.059 -0.067 0.000 1.146 431 L HN 0.441 nan 8.230 nan 0.000 0.484 432 G N 0.053 108.866 108.800 0.020 0.000 2.248 432 G HA2 -0.219 3.747 3.960 0.009 0.000 0.252 432 G HA3 -0.219 3.747 3.960 0.009 0.000 0.252 432 G C -0.114 174.784 174.900 -0.004 0.000 1.085 432 G CA -0.081 45.046 45.100 0.045 0.000 0.845 432 G HN 0.288 nan 8.290 nan 0.000 0.494 433 C N -0.139 119.140 119.300 -0.034 0.000 2.358 433 C HA 0.759 5.224 4.460 0.009 0.000 0.354 433 C C 0.987 175.961 174.990 -0.027 0.000 1.183 433 C CA -0.861 58.127 59.018 -0.049 0.000 2.150 433 C CB 1.501 29.188 27.740 -0.088 0.000 2.361 433 C HN 0.552 nan 8.230 nan 0.000 0.535 434 R N 1.542 122.032 120.500 -0.016 0.000 2.230 434 R HA 0.408 4.753 4.340 0.009 0.000 0.337 434 R C -1.316 174.991 176.300 0.013 0.000 1.063 434 R CA -0.052 56.051 56.100 0.005 0.000 0.935 434 R CB 0.795 31.104 30.300 0.013 0.000 1.121 434 R HN 0.609 nan 8.270 nan 0.000 0.486 435 V N 4.500 124.426 119.914 0.020 0.000 2.270 435 V HA 0.113 4.238 4.120 0.009 0.000 0.263 435 V C 0.316 176.474 176.094 0.106 0.000 1.066 435 V CA -0.546 61.788 62.300 0.057 0.000 0.857 435 V CB 0.625 32.462 31.823 0.023 0.000 1.099 435 V HN 0.657 nan 8.190 nan 0.000 0.476 436 E N 3.118 123.382 120.200 0.107 0.000 2.261 436 E HA 0.659 5.015 4.350 0.009 0.000 0.239 436 E C 0.221 176.881 176.600 0.100 0.000 0.991 436 E CA -0.422 56.033 56.400 0.091 0.000 0.847 436 E CB 1.385 31.118 29.700 0.056 0.000 1.223 436 E HN 0.599 nan 8.360 nan 0.000 0.446 437 G N 1.757 110.640 108.800 0.138 0.000 2.690 437 G HA2 0.262 4.227 3.960 0.009 0.000 0.293 437 G HA3 0.262 4.227 3.960 0.009 0.000 0.293 437 G C -0.235 174.593 174.900 -0.121 0.000 1.399 437 G CA -0.705 44.390 45.100 -0.008 0.000 0.890 437 G HN 0.288 nan 8.290 nan 0.000 0.485 438 E N -0.300 119.733 120.200 -0.278 0.000 2.251 438 E HA 0.434 4.790 4.350 0.009 0.000 0.194 438 E C 1.121 177.477 176.600 -0.406 0.000 0.964 438 E CA 0.500 56.775 56.400 -0.209 0.000 0.868 438 E CB 0.642 30.264 29.700 -0.129 0.000 0.828 438 E HN 1.316 nan 8.360 nan 0.000 0.481 439 G N 1.504 109.817 108.800 -0.811 0.000 2.617 439 G HA2 -0.121 3.845 3.960 0.009 0.000 0.686 439 G HA3 -0.121 3.845 3.960 0.009 0.000 0.686 439 G C -2.041 172.671 174.900 -0.312 0.000 1.214 439 G CA -0.387 44.202 45.100 -0.852 0.000 0.796 439 G HN -0.002 nan 8.290 nan 0.000 0.654 440 P HA 0.060 nan 4.420 nan 0.000 0.220 440 P C 0.803 178.107 177.300 0.007 0.000 1.152 440 P CA 1.207 64.291 63.100 -0.027 0.000 0.812 440 P CB 0.020 31.731 31.700 0.018 0.000 0.792 441 T N 0.042 114.549 114.554 -0.079 0.000 2.817 441 T HA 0.211 4.567 4.350 0.009 0.000 0.293 441 T C 0.334 174.994 174.700 -0.066 0.000 0.964 441 T CA -0.138 61.977 62.100 0.024 0.000 1.085 441 T CB 0.779 69.646 68.868 -0.002 0.000 0.921 441 T HN -0.018 nan 8.240 nan 0.000 0.502 442 Y N 1.149 121.521 120.300 0.120 0.000 2.522 442 Y HA 0.342 4.898 4.550 0.009 0.000 0.277 442 Y C 1.475 177.436 175.900 0.101 0.000 1.104 442 Y CA -0.303 57.873 58.100 0.127 0.000 1.260 442 Y CB 0.299 38.870 38.460 0.185 0.000 1.151 442 Y HN 0.600 nan 8.280 nan 0.000 0.539 443 R N 0.924 121.574 120.500 0.249 0.000 2.233 443 R HA -0.106 4.240 4.340 0.009 0.000 0.355 443 R C -2.004 174.380 176.300 0.140 0.000 1.099 443 R CA -0.032 56.160 56.100 0.155 0.000 0.867 443 R CB -1.209 29.146 30.300 0.092 0.000 2.603 443 R HN 0.025 nan 8.270 nan 0.000 0.487 444 V N 3.190 123.176 119.914 0.119 0.000 2.547 444 V HA 0.496 4.622 4.120 0.009 0.000 0.299 444 V C 0.542 176.654 176.094 0.030 0.000 1.040 444 V CA -0.492 61.840 62.300 0.054 0.000 0.913 444 V CB 2.197 34.018 31.823 -0.004 0.000 0.992 444 V HN 0.559 nan 8.190 nan 0.000 0.449 445 T N 5.959 120.519 114.554 0.011 0.000 2.772 445 T HA 0.434 4.790 4.350 0.009 0.000 0.288 445 T C -2.662 172.024 174.700 -0.023 0.000 0.994 445 T CA -1.213 60.889 62.100 0.003 0.000 0.951 445 T CB 1.593 70.467 68.868 0.010 0.000 0.933 445 T HN 0.428 nan 8.240 nan 0.000 0.447 446 P HA 0.237 nan 4.420 nan 0.000 0.272 446 P C -2.307 174.933 177.300 -0.100 0.000 1.223 446 P CA -1.396 61.657 63.100 -0.079 0.000 0.784 446 P CB -0.149 31.503 31.700 -0.079 0.000 0.923 447 P HA -0.037 nan 4.420 nan 0.000 0.272 447 P C 0.759 177.930 177.300 -0.216 0.000 1.230 447 P CA 0.123 63.115 63.100 -0.180 0.000 0.788 447 P CB 0.495 32.026 31.700 -0.282 0.000 0.949 448 S N 0.994 116.659 115.700 -0.057 0.000 2.420 448 S HA -0.245 4.231 4.470 0.009 0.000 0.237 448 S C 1.654 176.270 174.600 0.026 0.000 1.023 448 S CA 1.413 59.620 58.200 0.011 0.000 0.991 448 S CB -1.469 61.778 63.200 0.078 0.000 0.792 448 S HN 0.698 nan 8.310 nan 0.000 0.488 449 H N -0.186 118.885 119.070 0.002 0.000 2.548 449 H HA 0.282 4.844 4.556 0.009 0.000 0.268 449 H C 0.253 175.580 175.328 -0.002 0.000 0.975 449 H CA -0.039 56.005 56.048 -0.007 0.000 1.195 449 H CB -0.277 29.469 29.762 -0.026 0.000 1.397 449 H HN 0.157 nan 8.280 nan 0.000 0.572 450 R N 2.052 122.406 120.500 -0.244 0.000 2.870 450 R HA 0.115 4.460 4.340 0.009 0.000 0.254 450 R C 0.767 177.035 176.300 -0.054 0.000 1.392 450 R CA -0.351 55.666 56.100 -0.138 0.000 1.322 450 R CB 0.460 30.631 30.300 -0.215 0.000 1.205 450 R HN 0.226 nan 8.270 nan 0.000 0.597 451 L N 1.421 122.642 121.223 -0.004 0.000 2.109 451 L HA -0.133 4.212 4.340 0.009 0.000 0.207 451 L C 1.850 178.727 176.870 0.012 0.000 1.086 451 L CA 1.497 56.344 54.840 0.012 0.000 0.760 451 L CB -0.930 41.148 42.059 0.031 0.000 0.910 451 L HN 0.481 nan 8.230 nan 0.000 0.437 452 D N 0.292 120.701 120.400 0.015 0.000 2.389 452 D HA -0.211 4.435 4.640 0.009 0.000 0.221 452 D C 0.719 177.028 176.300 0.014 0.000 0.974 452 D CA 0.555 54.567 54.000 0.019 0.000 0.923 452 D CB -0.089 40.726 40.800 0.025 0.000 0.892 452 D HN 0.309 nan 8.370 nan 0.000 0.518 453 L N 1.309 122.533 121.223 0.001 0.000 2.407 453 L HA 0.325 4.671 4.340 0.009 0.000 0.261 453 L C 1.469 178.346 176.870 0.012 0.000 1.108 453 L CA -0.695 54.146 54.840 0.001 0.000 0.995 453 L CB 0.899 42.944 42.059 -0.024 0.000 1.349 453 L HN -0.192 nan 8.230 nan 0.000 0.423 454 R N 1.062 121.578 120.500 0.027 0.000 2.015 454 R HA 0.289 4.634 4.340 0.009 0.000 0.212 454 R C 0.353 176.682 176.300 0.048 0.000 1.304 454 R CA 0.201 56.321 56.100 0.033 0.000 1.040 454 R CB -0.135 30.185 30.300 0.034 0.000 0.915 454 R HN 0.233 nan 8.270 nan 0.000 0.465 455 L N 1.416 122.674 121.223 0.059 0.000 2.479 455 L HA 0.096 4.442 4.340 0.009 0.000 0.248 455 L C 1.970 178.909 176.870 0.116 0.000 1.205 455 L CA 0.478 55.367 54.840 0.082 0.000 0.817 455 L CB 0.274 42.384 42.059 0.084 0.000 1.162 455 L HN 0.251 nan 8.230 nan 0.000 0.486 456 E N -0.131 120.164 120.200 0.158 0.000 2.110 456 E HA -0.216 4.139 4.350 0.009 0.000 0.193 456 E C 1.358 178.118 176.600 0.267 0.000 0.988 456 E CA 1.227 57.777 56.400 0.249 0.000 0.804 456 E CB 0.305 30.167 29.700 0.269 0.000 0.745 456 E HN 0.684 nan 8.360 nan 0.000 0.458 457 E N 0.766 121.094 120.200 0.213 0.000 2.204 457 E HA -0.162 4.194 4.350 0.009 0.000 0.195 457 E C 1.359 178.016 176.600 0.096 0.000 0.990 457 E CA 1.445 57.930 56.400 0.142 0.000 0.821 457 E CB -0.052 29.728 29.700 0.133 0.000 0.750 457 E HN 0.364 nan 8.360 nan 0.000 0.477 458 D N -0.669 119.787 120.400 0.094 0.000 2.224 458 D HA -0.095 4.551 4.640 0.009 0.000 0.205 458 D C 1.320 177.650 176.300 0.050 0.000 0.965 458 D CA 0.427 54.463 54.000 0.060 0.000 0.852 458 D CB 0.098 40.926 40.800 0.047 0.000 0.947 458 D HN 0.035 nan 8.370 nan 0.000 0.494 459 L N 0.302 121.574 121.223 0.081 0.000 2.109 459 L HA -0.064 4.281 4.340 0.009 0.000 0.207 459 L C 2.408 179.325 176.870 0.079 0.000 1.086 459 L CA 0.940 55.809 54.840 0.048 0.000 0.760 459 L CB -0.711 41.414 42.059 0.109 0.000 0.910 459 L HN 0.105 nan 8.230 nan 0.000 0.437 460 V N -1.410 118.598 119.914 0.158 0.000 2.295 460 V HA -0.255 3.870 4.120 0.009 0.000 0.246 460 V C 2.085 178.199 176.094 0.034 0.000 1.049 460 V CA 1.992 64.357 62.300 0.108 0.000 1.024 460 V CB -0.925 30.872 31.823 -0.042 0.000 0.648 460 V HN 0.633 nan 8.190 nan 0.000 0.447 461 E N -0.479 119.745 120.200 0.040 0.000 2.510 461 E HA -0.203 4.153 4.350 0.009 0.000 0.202 461 E C 1.804 178.439 176.600 0.057 0.000 1.072 461 E CA 0.916 57.363 56.400 0.077 0.000 0.883 461 E CB 0.004 29.767 29.700 0.105 0.000 0.818 461 E HN 0.733 nan 8.360 nan 0.000 0.548 462 E N -0.254 119.947 120.200 0.002 0.000 2.216 462 E HA -0.031 4.325 4.350 0.009 0.000 0.192 462 E C 2.052 178.603 176.600 -0.081 0.000 0.973 462 E CA 0.419 56.796 56.400 -0.040 0.000 0.851 462 E CB 0.252 29.907 29.700 -0.076 0.000 0.804 462 E HN 0.161 nan 8.360 nan 0.000 0.477 463 V N 1.081 120.931 119.914 -0.107 0.000 2.591 463 V HA -0.004 4.122 4.120 0.009 0.000 0.249 463 V C 1.561 177.498 176.094 -0.261 0.000 1.053 463 V CA 1.409 63.588 62.300 -0.201 0.000 1.068 463 V CB -0.265 31.467 31.823 -0.152 0.000 0.689 463 V HN 0.133 nan 8.190 nan 0.000 0.462 464 A N -0.546 122.209 122.820 -0.108 0.000 3.181 464 A HA 0.440 4.766 4.320 0.009 0.000 0.293 464 A C 1.554 179.234 177.584 0.160 0.000 1.346 464 A CA -0.012 52.003 52.037 -0.037 0.000 1.018 464 A CB -0.263 18.710 19.000 -0.044 0.000 1.093 464 A HN 0.415 nan 8.150 nan 0.000 0.629 465 R N -1.036 119.517 120.500 0.088 0.000 3.001 465 R HA 0.188 4.534 4.340 0.009 0.000 0.160 465 R C 1.009 177.326 176.300 0.028 0.000 0.830 465 R CA 0.017 56.189 56.100 0.120 0.000 1.363 465 R CB 0.206 30.535 30.300 0.049 0.000 1.669 465 R HN 0.434 nan 8.270 nan 0.000 0.553 466 I N 1.626 122.180 120.570 -0.027 0.000 2.233 466 I HA -0.131 4.044 4.170 0.009 0.000 0.243 466 I C 2.178 178.264 176.117 -0.051 0.000 1.093 466 I CA 1.428 62.700 61.300 -0.047 0.000 1.380 466 I CB -0.928 37.019 38.000 -0.090 0.000 1.067 466 I HN 0.188 nan 8.210 nan 0.000 0.413 467 Q N 0.806 120.542 119.800 -0.107 0.000 2.084 467 Q HA 0.041 4.386 4.340 0.009 0.000 0.202 467 Q C 0.881 176.913 176.000 0.052 0.000 0.978 467 Q CA 1.179 56.925 55.803 -0.096 0.000 0.844 467 Q CB -0.190 28.307 28.738 -0.401 0.000 0.898 467 Q HN 0.601 nan 8.270 nan 0.000 0.426 468 G N -1.113 107.746 108.800 0.098 0.000 2.841 468 G HA2 -0.175 3.791 3.960 0.009 0.000 0.684 468 G HA3 -0.175 3.791 3.960 0.009 0.000 0.684 468 G C -0.474 174.578 174.900 0.254 0.000 1.273 468 G CA -0.565 44.631 45.100 0.160 0.000 0.811 468 G HN 0.257 nan 8.290 nan 0.000 0.631 469 Y N -0.048 120.268 120.300 0.028 0.000 2.616 469 Y HA 0.053 4.609 4.550 0.009 0.000 0.296 469 Y C 2.071 177.991 175.900 0.034 0.000 1.154 469 Y CA 0.662 58.780 58.100 0.031 0.000 1.325 469 Y CB 0.523 38.986 38.460 0.004 0.000 1.007 469 Y HN 0.454 nan 8.280 nan 0.000 0.542 470 E N 0.001 120.304 120.200 0.172 0.000 2.349 470 E HA 0.035 4.391 4.350 0.009 0.000 0.201 470 E C 0.960 177.607 176.600 0.078 0.000 1.087 470 E CA 0.317 56.778 56.400 0.102 0.000 1.128 470 E CB -0.063 29.686 29.700 0.082 0.000 1.188 470 E HN 0.429 nan 8.360 nan 0.000 0.445 471 T N -3.386 111.222 114.554 0.089 0.000 3.192 471 T HA 0.330 4.685 4.350 0.009 0.000 0.295 471 T C 0.526 175.213 174.700 -0.021 0.000 0.947 471 T CA -0.317 61.822 62.100 0.066 0.000 0.916 471 T CB -0.281 68.690 68.868 0.172 0.000 1.169 471 T HN -0.082 nan 8.240 nan 0.000 0.540 472 I N 4.568 125.123 120.570 -0.025 0.000 2.304 472 I HA 0.414 4.590 4.170 0.009 0.000 0.291 472 I C -1.943 174.130 176.117 -0.073 0.000 1.018 472 I CA -2.241 59.005 61.300 -0.089 0.000 1.260 472 I CB 1.109 39.040 38.000 -0.114 0.000 1.390 472 I HN 0.083 nan 8.210 nan 0.000 0.475 473 P HA 0.242 nan 4.420 nan 0.000 0.276 473 P C -0.793 176.477 177.300 -0.050 0.000 1.252 473 P CA -0.464 62.597 63.100 -0.064 0.000 0.802 473 P CB 1.088 32.742 31.700 -0.076 0.000 1.035 474 L N 0.566 121.768 121.223 -0.035 0.000 2.350 474 L HA 0.617 4.962 4.340 0.009 0.000 0.275 474 L C 0.545 177.398 176.870 -0.028 0.000 1.099 474 L CA -0.350 54.474 54.840 -0.027 0.000 0.808 474 L CB 0.899 42.948 42.059 -0.018 0.000 1.149 474 L HN 0.611 nan 8.230 nan 0.000 0.442 475 A N 3.631 126.437 122.820 -0.024 0.000 2.608 475 A HA 0.767 5.093 4.320 0.009 0.000 0.292 475 A C -1.737 175.841 177.584 -0.010 0.000 1.066 475 A CA -0.474 51.552 52.037 -0.019 0.000 0.676 475 A CB 1.686 20.672 19.000 -0.024 0.000 1.277 475 A HN 0.518 nan 8.150 nan 0.000 0.413 476 L N 1.908 123.127 121.223 -0.006 0.000 2.354 476 L HA 0.770 5.115 4.340 0.009 0.000 0.269 476 L C -1.918 174.962 176.870 0.016 0.000 1.005 476 L CA -1.162 53.679 54.840 0.002 0.000 0.819 476 L CB 2.219 44.272 42.059 -0.010 0.000 1.311 476 L HN 0.754 nan 8.230 nan 0.000 0.423 477 P HA 0.653 nan 4.420 nan 0.000 0.287 477 P C -1.804 175.537 177.300 0.069 0.000 1.270 477 P CA -0.583 62.574 63.100 0.095 0.000 0.844 477 P CB 1.906 33.717 31.700 0.185 0.000 1.068 478 A N 2.504 125.375 122.820 0.084 0.000 2.356 478 A HA 0.829 5.155 4.320 0.009 0.000 0.310 478 A C -0.967 176.675 177.584 0.096 0.000 1.075 478 A CA -0.565 51.462 52.037 -0.018 0.000 0.746 478 A CB 0.711 19.683 19.000 -0.046 0.000 1.221 478 A HN 0.637 nan 8.150 nan 0.000 0.443 479 F N -0.450 119.372 119.950 -0.213 0.000 2.746 479 F HA 0.665 5.197 4.527 0.009 0.000 0.311 479 F C -2.228 173.409 175.800 -0.272 0.000 1.135 479 F CA -1.737 56.154 58.000 -0.182 0.000 0.954 479 F CB 0.553 39.531 39.000 -0.037 0.000 1.276 479 F HN 0.329 nan 8.300 nan 0.000 0.440 480 F N 4.136 124.258 119.950 0.287 0.000 2.390 480 F HA 0.522 5.055 4.527 0.009 0.000 0.361 480 F C -1.760 174.230 175.800 0.318 0.000 1.124 480 F CA -1.689 56.406 58.000 0.159 0.000 1.149 480 F CB 0.539 39.601 39.000 0.103 0.000 1.160 480 F HN 0.292 nan 8.300 nan 0.000 0.501 481 P HA 0.139 nan 4.420 nan 0.000 0.270 481 P C -0.668 176.792 177.300 0.267 0.000 1.223 481 P CA -0.417 62.912 63.100 0.381 0.000 0.785 481 P CB 0.801 32.600 31.700 0.165 0.000 0.923 482 A N 3.217 126.163 122.820 0.210 0.000 2.425 482 A HA 0.285 4.610 4.320 0.009 0.000 0.249 482 A C -1.185 176.460 177.584 0.101 0.000 1.084 482 A CA -1.056 51.058 52.037 0.128 0.000 0.781 482 A CB -0.920 18.131 19.000 0.085 0.000 1.019 482 A HN 0.380 nan 8.150 nan 0.000 0.490 483 P HA -0.257 nan 4.420 nan 0.000 0.217 483 P C 0.753 178.083 177.300 0.051 0.000 1.158 483 P CA 2.110 65.246 63.100 0.059 0.000 0.887 483 P CB -0.040 31.686 31.700 0.043 0.000 0.792 484 D N -1.709 118.718 120.400 0.046 0.000 2.264 484 D HA -0.157 4.489 4.640 0.009 0.000 0.208 484 D C 1.239 177.564 176.300 0.042 0.000 0.966 484 D CA 1.106 55.129 54.000 0.039 0.000 0.864 484 D CB -1.193 39.626 40.800 0.032 0.000 0.933 484 D HN 0.235 nan 8.370 nan 0.000 0.499 485 N N -0.323 118.409 118.700 0.053 0.000 2.354 485 N HA -0.044 4.701 4.740 0.009 0.000 0.179 485 N C 0.390 175.930 175.510 0.050 0.000 1.021 485 N CA 0.025 53.108 53.050 0.055 0.000 0.887 485 N CB -0.088 38.446 38.487 0.077 0.000 0.974 485 N HN 0.030 nan 8.380 nan 0.000 0.437 486 R N 0.543 121.074 120.500 0.052 0.000 2.457 486 R HA 0.092 4.438 4.340 0.009 0.000 0.335 486 R C 0.445 176.767 176.300 0.036 0.000 1.003 486 R CA 0.772 56.898 56.100 0.043 0.000 1.003 486 R CB -0.395 29.933 30.300 0.047 0.000 0.950 486 R HN 0.413 nan 8.270 nan 0.000 0.428 487 G N 1.679 110.499 108.800 0.033 0.000 2.229 487 G HA2 -0.292 3.673 3.960 0.009 0.000 0.189 487 G HA3 -0.292 3.673 3.960 0.009 0.000 0.189 487 G C 0.643 175.565 174.900 0.037 0.000 1.000 487 G CA 0.013 45.132 45.100 0.033 0.000 0.663 487 G HN 0.564 nan 8.290 nan 0.000 0.493 488 V N -0.682 119.253 119.914 0.035 0.000 2.944 488 V HA 0.010 4.136 4.120 0.009 0.000 0.265 488 V C 1.927 178.048 176.094 0.045 0.000 1.125 488 V CA 2.779 65.099 62.300 0.033 0.000 1.145 488 V CB -0.293 31.543 31.823 0.022 0.000 0.725 488 V HN 0.579 nan 8.190 nan 0.000 0.510 489 E N 0.794 121.030 120.200 0.060 0.000 2.299 489 E HA -0.010 4.346 4.350 0.009 0.000 0.193 489 E C 2.222 178.903 176.600 0.135 0.000 0.998 489 E CA 0.828 57.293 56.400 0.108 0.000 0.851 489 E CB -0.122 29.635 29.700 0.094 0.000 0.795 489 E HN 0.675 nan 8.360 nan 0.000 0.492 490 A N 2.504 125.373 122.820 0.082 0.000 1.884 490 A HA -0.164 4.162 4.320 0.009 0.000 0.219 490 A C -0.011 177.618 177.584 0.074 0.000 1.197 490 A CA 1.884 53.959 52.037 0.063 0.000 0.637 490 A CB -1.727 17.299 19.000 0.043 0.000 0.827 490 A HN 0.392 nan 8.150 nan 0.000 0.450 491 P HA -0.214 nan 4.420 nan 0.000 0.215 491 P C 1.525 178.907 177.300 0.138 0.000 1.153 491 P CA 1.606 64.759 63.100 0.088 0.000 0.853 491 P CB -0.269 31.478 31.700 0.079 0.000 0.788 492 Y N 2.133 122.434 120.300 0.002 0.000 2.070 492 Y HA -0.159 4.397 4.550 0.009 0.000 0.279 492 Y C 2.740 178.640 175.900 0.001 0.000 1.134 492 Y CA 1.546 59.645 58.100 0.000 0.000 1.113 492 Y CB -1.100 37.360 38.460 0.001 0.000 0.981 492 Y HN -0.251 nan 8.280 nan 0.000 0.487 493 R N 0.618 121.084 120.500 -0.057 0.000 2.119 493 R HA -0.251 4.095 4.340 0.009 0.000 0.246 493 R C 2.309 178.528 176.300 -0.135 0.000 1.146 493 R CA 2.306 58.301 56.100 -0.176 0.000 0.962 493 R CB -0.519 29.748 30.300 -0.056 0.000 0.863 493 R HN 0.549 nan 8.270 nan 0.000 0.442 494 K N 0.734 121.100 120.400 -0.055 0.000 2.152 494 K HA -0.219 4.107 4.320 0.009 0.000 0.206 494 K C 1.914 178.477 176.600 -0.061 0.000 1.048 494 K CA 1.991 58.251 56.287 -0.045 0.000 0.933 494 K CB -0.176 32.318 32.500 -0.011 0.000 0.721 494 K HN 0.287 nan 8.250 nan 0.000 0.447 495 E N 0.606 120.764 120.200 -0.069 0.000 2.112 495 E HA -0.206 4.149 4.350 0.009 0.000 0.190 495 E C 2.176 178.710 176.600 -0.111 0.000 0.979 495 E CA 0.696 57.060 56.400 -0.060 0.000 0.814 495 E CB 0.083 29.779 29.700 -0.008 0.000 0.762 495 E HN 0.340 nan 8.360 nan 0.000 0.460 496 Q N 0.496 120.152 119.800 -0.240 0.000 2.172 496 Q HA -0.084 4.262 4.340 0.009 0.000 0.200 496 Q C 2.001 177.924 176.000 -0.128 0.000 0.964 496 Q CA 1.225 56.886 55.803 -0.236 0.000 0.855 496 Q CB -0.019 28.468 28.738 -0.417 0.000 0.918 496 Q HN 0.022 nan 8.270 nan 0.000 0.444 497 R N -0.457 119.971 120.500 -0.121 0.000 2.148 497 R HA -0.033 4.312 4.340 0.009 0.000 0.227 497 R C 1.727 177.984 176.300 -0.071 0.000 1.103 497 R CA 0.657 56.706 56.100 -0.085 0.000 0.983 497 R CB -0.530 29.723 30.300 -0.078 0.000 0.874 497 R HN 0.357 nan 8.270 nan 0.000 0.451 498 L N 0.352 121.536 121.223 -0.064 0.000 2.156 498 L HA -0.013 4.332 4.340 0.009 0.000 0.208 498 L C 1.733 178.587 176.870 -0.026 0.000 1.095 498 L CA 1.553 56.358 54.840 -0.060 0.000 0.770 498 L CB -0.162 41.872 42.059 -0.042 0.000 0.914 498 L HN 0.061 nan 8.230 nan 0.000 0.439 499 R N -0.351 120.174 120.500 0.040 0.000 2.115 499 R HA -0.075 4.271 4.340 0.009 0.000 0.226 499 R C 1.938 178.262 176.300 0.041 0.000 1.100 499 R CA 1.225 57.423 56.100 0.163 0.000 0.980 499 R CB -0.407 30.024 30.300 0.219 0.000 0.875 499 R HN 0.553 nan 8.270 nan 0.000 0.445 500 E N 0.736 120.933 120.200 -0.006 0.000 2.031 500 E HA -0.127 4.229 4.350 0.009 0.000 0.193 500 E C 2.186 178.750 176.600 -0.062 0.000 0.994 500 E CA 1.300 57.684 56.400 -0.026 0.000 0.800 500 E CB -0.159 29.520 29.700 -0.035 0.000 0.752 500 E HN 0.070 nan 8.360 nan 0.000 0.447 501 V N 2.047 121.910 119.914 -0.085 0.000 2.358 501 V HA -0.208 3.918 4.120 0.009 0.000 0.246 501 V C 2.376 178.395 176.094 -0.124 0.000 1.047 501 V CA 1.055 63.295 62.300 -0.099 0.000 1.035 501 V CB -0.373 31.379 31.823 -0.118 0.000 0.658 501 V HN 0.274 nan 8.190 nan 0.000 0.452 502 L N -0.301 120.789 121.223 -0.223 0.000 2.265 502 L HA -0.119 4.227 4.340 0.009 0.000 0.215 502 L C 2.450 179.128 176.870 -0.319 0.000 1.117 502 L CA 1.856 56.450 54.840 -0.410 0.000 0.782 502 L CB -1.133 40.379 42.059 -0.912 0.000 0.914 502 L HN 0.398 nan 8.230 nan 0.000 0.441 503 S N -0.816 114.748 115.700 -0.226 0.000 2.371 503 S HA 0.003 4.479 4.470 0.009 0.000 0.219 503 S C 1.902 176.489 174.600 -0.023 0.000 1.040 503 S CA 0.857 59.005 58.200 -0.088 0.000 0.958 503 S CB -0.008 63.179 63.200 -0.022 0.000 0.860 503 S HN 0.486 nan 8.310 nan 0.000 0.487 504 G N 2.264 111.046 108.800 -0.029 0.000 2.448 504 G HA2 -0.102 3.864 3.960 0.009 0.000 0.219 504 G HA3 -0.102 3.864 3.960 0.009 0.000 0.219 504 G C 1.394 176.283 174.900 -0.018 0.000 1.127 504 G CA 0.467 45.553 45.100 -0.022 0.000 0.766 504 G HN 0.419 nan 8.290 nan 0.000 0.552 505 L N 0.674 121.896 121.223 -0.001 0.000 1.990 505 L HA 0.005 4.350 4.340 0.009 0.000 0.213 505 L C 1.914 178.804 176.870 0.033 0.000 1.072 505 L CA 2.644 57.505 54.840 0.035 0.000 0.755 505 L CB -0.719 41.436 42.059 0.160 0.000 0.889 505 L HN 0.463 nan 8.230 nan 0.000 0.432 506 G N -2.714 106.075 108.800 -0.019 0.000 3.216 506 G HA2 -0.089 3.876 3.960 0.009 0.000 0.221 506 G HA3 -0.089 3.876 3.960 0.009 0.000 0.221 506 G C -0.427 174.231 174.900 -0.403 0.000 0.949 506 G CA -0.567 44.445 45.100 -0.148 0.000 0.952 506 G HN 0.167 nan 8.290 nan 0.000 0.657 507 F N 1.386 121.293 119.950 -0.072 0.000 2.436 507 F HA 0.597 5.130 4.527 0.010 0.000 0.340 507 F C 0.502 176.349 175.800 0.078 0.000 1.113 507 F CA -0.830 57.144 58.000 -0.043 0.000 1.022 507 F CB 1.914 40.781 39.000 -0.222 0.000 1.128 507 F HN -0.147 nan 8.300 nan 0.000 0.466 508 Q N 3.162 123.178 119.800 0.360 0.000 2.322 508 Q HA 0.088 4.434 4.340 0.009 0.000 0.256 508 Q C -0.213 176.071 176.000 0.473 0.000 0.960 508 Q CA -0.304 55.694 55.803 0.325 0.000 0.934 508 Q CB 1.384 30.235 28.738 0.188 0.000 1.200 508 Q HN 0.713 nan 8.270 nan 0.000 0.435 509 E N 2.219 122.727 120.200 0.513 0.000 2.415 509 E HA 0.119 4.474 4.350 0.009 0.000 0.263 509 E C -1.084 175.575 176.600 0.098 0.000 0.995 509 E CA -0.081 56.491 56.400 0.286 0.000 0.915 509 E CB 0.842 30.737 29.700 0.325 0.000 0.951 509 E HN 0.292 nan 8.360 nan 0.000 0.449 510 V N 5.584 125.488 119.914 -0.018 0.000 2.864 510 V HA 0.487 4.613 4.120 0.009 0.000 0.314 510 V C -1.801 174.361 176.094 0.113 0.000 1.073 510 V CA -0.555 61.774 62.300 0.049 0.000 0.956 510 V CB 1.594 33.439 31.823 0.037 0.000 1.023 510 V HN 0.748 nan 8.190 nan 0.000 0.435 511 Y N 3.326 123.549 120.300 -0.128 0.000 2.361 511 Y HA 0.635 5.190 4.550 0.009 0.000 0.337 511 Y C 0.375 176.196 175.900 -0.132 0.000 0.965 511 Y CA -0.558 57.453 58.100 -0.149 0.000 1.091 511 Y CB 2.392 40.764 38.460 -0.146 0.000 1.182 511 Y HN 0.826 nan 8.280 nan 0.000 0.450 512 T N -0.685 113.850 114.554 -0.032 0.000 2.924 512 T HA 0.497 4.853 4.350 0.009 0.000 0.291 512 T C -0.728 173.936 174.700 -0.060 0.000 1.045 512 T CA -0.770 61.324 62.100 -0.011 0.000 1.015 512 T CB 1.111 69.984 68.868 0.009 0.000 1.103 512 T HN 0.352 nan 8.240 nan 0.000 0.496 513 Y N 0.993 121.264 120.300 -0.050 0.000 2.394 513 Y HA 0.230 4.786 4.550 0.009 0.000 0.351 513 Y C 2.182 177.975 175.900 -0.178 0.000 1.272 513 Y CA 0.627 58.653 58.100 -0.123 0.000 1.508 513 Y CB 0.559 39.004 38.460 -0.025 0.000 1.369 513 Y HN 0.888 nan 8.280 nan 0.000 0.639 514 S N -0.953 114.650 115.700 -0.162 0.000 2.556 514 S HA 0.240 4.716 4.470 0.009 0.000 0.216 514 S C -0.179 174.402 174.600 -0.032 0.000 0.970 514 S CA -0.441 57.696 58.200 -0.104 0.000 0.912 514 S CB -0.537 62.646 63.200 -0.029 0.000 0.790 514 S HN 0.381 nan 8.310 nan 0.000 0.504 515 F N 2.091 122.102 119.950 0.102 0.000 2.412 515 F HA 0.517 5.050 4.527 0.009 0.000 0.348 515 F C 0.344 176.136 175.800 -0.013 0.000 1.102 515 F CA -0.903 57.107 58.000 0.018 0.000 1.196 515 F CB 0.761 39.745 39.000 -0.027 0.000 1.144 515 F HN 0.103 nan 8.300 nan 0.000 0.541 516 M N 3.919 123.626 119.600 0.178 0.000 2.465 516 M HA 0.289 4.775 4.480 0.009 0.000 0.316 516 M C -1.458 174.856 176.300 0.022 0.000 1.121 516 M CA -0.976 54.353 55.300 0.048 0.000 0.934 516 M CB 1.575 34.183 32.600 0.012 0.000 1.692 516 M HN 0.601 nan 8.290 nan 0.000 0.444 517 D N 4.231 124.626 120.400 -0.009 0.000 2.264 517 D HA 0.288 4.934 4.640 0.009 0.000 0.250 517 D C -2.414 173.886 176.300 -0.001 0.000 1.113 517 D CA -1.936 52.057 54.000 -0.012 0.000 0.871 517 D CB 0.744 41.538 40.800 -0.010 0.000 1.167 517 D HN 0.288 nan 8.370 nan 0.000 0.447 518 P HA -0.216 nan 4.420 nan 0.000 0.217 518 P C 0.961 178.281 177.300 0.034 0.000 1.151 518 P CA 1.544 64.652 63.100 0.014 0.000 0.849 518 P CB 0.224 31.928 31.700 0.007 0.000 0.787 519 E N -0.287 119.935 120.200 0.036 0.000 2.113 519 E HA -0.271 4.085 4.350 0.009 0.000 0.210 519 E C 1.771 178.437 176.600 0.109 0.000 1.040 519 E CA 1.820 58.257 56.400 0.062 0.000 0.847 519 E CB -0.907 28.827 29.700 0.057 0.000 0.755 519 E HN 0.306 nan 8.360 nan 0.000 0.459 520 D N 0.098 120.570 120.400 0.121 0.000 2.203 520 D HA -0.237 4.408 4.640 0.009 0.000 0.199 520 D C 1.882 178.346 176.300 0.275 0.000 0.997 520 D CA 1.374 55.518 54.000 0.239 0.000 0.863 520 D CB -0.453 40.336 40.800 -0.019 0.000 0.928 520 D HN 0.280 nan 8.370 nan 0.000 0.458 521 A N 1.722 124.628 122.820 0.143 0.000 1.940 521 A HA -0.306 4.020 4.320 0.009 0.000 0.221 521 A C 2.174 179.867 177.584 0.181 0.000 1.190 521 A CA 2.501 54.625 52.037 0.146 0.000 0.647 521 A CB -0.566 18.495 19.000 0.101 0.000 0.821 521 A HN 0.390 nan 8.150 nan 0.000 0.457 522 R N -0.958 119.635 120.500 0.155 0.000 2.066 522 R HA 0.017 4.362 4.340 0.009 0.000 0.224 522 R C 2.160 178.537 176.300 0.128 0.000 1.122 522 R CA 1.049 57.223 56.100 0.124 0.000 0.974 522 R CB -0.585 29.763 30.300 0.080 0.000 0.871 522 R HN 0.461 nan 8.270 nan 0.000 0.435 523 R N 0.119 120.708 120.500 0.149 0.000 2.103 523 R HA -0.076 4.269 4.340 0.009 0.000 0.242 523 R C 1.598 177.819 176.300 -0.132 0.000 1.142 523 R CA 1.845 57.950 56.100 0.007 0.000 0.960 523 R CB -0.297 30.007 30.300 0.006 0.000 0.858 523 R HN 0.228 nan 8.270 nan 0.000 0.439 524 F N 0.136 120.158 119.950 0.119 0.000 2.765 524 F HA 0.224 4.756 4.527 0.009 0.000 0.302 524 F C 0.204 176.166 175.800 0.270 0.000 1.111 524 F CA -0.363 57.758 58.000 0.201 0.000 1.359 524 F CB 0.023 39.108 39.000 0.141 0.000 1.097 524 F HN -0.192 nan 8.300 nan 0.000 0.577 525 R N 0.516 121.200 120.500 0.307 0.000 3.251 525 R HA -0.181 4.164 4.340 0.009 0.000 0.249 525 R C -1.349 175.141 176.300 0.317 0.000 0.949 525 R CA 0.415 56.667 56.100 0.253 0.000 0.645 525 R CB -2.640 27.780 30.300 0.200 0.000 1.065 525 R HN 0.325 nan 8.270 nan 0.000 0.452 526 L N -2.539 118.859 121.223 0.292 0.000 2.323 526 L HA 0.585 4.931 4.340 0.009 0.000 0.265 526 L C 0.020 177.014 176.870 0.207 0.000 1.012 526 L CA -1.553 53.455 54.840 0.281 0.000 0.820 526 L CB 1.108 43.283 42.059 0.192 0.000 1.334 526 L HN 0.086 nan 8.230 nan 0.000 0.427 527 D N 0.083 120.616 120.400 0.222 0.000 2.525 527 D HA 0.129 4.774 4.640 0.009 0.000 0.235 527 D C -2.227 174.158 176.300 0.141 0.000 1.137 527 D CA -0.750 53.351 54.000 0.169 0.000 0.868 527 D CB -0.352 40.558 40.800 0.183 0.000 1.180 527 D HN 0.524 nan 8.370 nan 0.000 0.465 528 P HA 0.068 nan 4.420 nan 0.000 0.262 528 P C -2.256 175.085 177.300 0.067 0.000 1.182 528 P CA -0.806 62.340 63.100 0.077 0.000 0.761 528 P CB -0.213 31.524 31.700 0.061 0.000 0.795 529 P HA 0.020 nan 4.420 nan 0.000 0.261 529 P C 1.061 178.382 177.300 0.035 0.000 1.165 529 P CA 0.236 63.362 63.100 0.042 0.000 0.759 529 P CB 0.306 32.024 31.700 0.029 0.000 0.772 530 R N 2.489 123.011 120.500 0.036 0.000 2.073 530 R HA 0.165 4.511 4.340 0.009 0.000 0.229 530 R C 0.507 176.812 176.300 0.008 0.000 1.120 530 R CA 1.214 57.331 56.100 0.029 0.000 0.967 530 R CB -0.489 29.835 30.300 0.040 0.000 0.862 530 R HN 0.412 nan 8.270 nan 0.000 0.436 531 L N 0.216 121.434 121.223 -0.009 0.000 2.342 531 L HA 0.513 4.859 4.340 0.009 0.000 0.271 531 L C -1.005 175.841 176.870 -0.039 0.000 1.008 531 L CA -0.831 53.984 54.840 -0.041 0.000 0.818 531 L CB 1.960 43.960 42.059 -0.099 0.000 1.296 531 L HN -0.070 nan 8.230 nan 0.000 0.427 532 L N 1.935 123.134 121.223 -0.040 0.000 2.327 532 L HA 0.582 4.928 4.340 0.009 0.000 0.258 532 L C -1.084 175.758 176.870 -0.047 0.000 1.024 532 L CA -0.685 54.133 54.840 -0.036 0.000 0.825 532 L CB 1.692 43.734 42.059 -0.027 0.000 1.386 532 L HN 0.228 nan 8.230 nan 0.000 0.417 533 L N 1.005 122.196 121.223 -0.053 0.000 2.379 533 L HA 0.358 4.704 4.340 0.009 0.000 0.269 533 L C 0.761 177.598 176.870 -0.056 0.000 1.084 533 L CA 0.219 55.023 54.840 -0.059 0.000 0.802 533 L CB 1.291 43.297 42.059 -0.089 0.000 1.175 533 L HN 0.533 nan 8.230 nan 0.000 0.448 534 L N 1.901 123.095 121.223 -0.048 0.000 2.446 534 L HA 0.076 4.421 4.340 0.009 0.000 0.219 534 L C 0.182 177.023 176.870 -0.049 0.000 1.116 534 L CA 0.432 55.247 54.840 -0.042 0.000 0.844 534 L CB -0.119 41.921 42.059 -0.032 0.000 0.970 534 L HN 0.802 nan 8.230 nan 0.000 0.457 535 N N -0.763 117.901 118.700 -0.060 0.000 2.646 535 N HA 0.196 4.941 4.740 0.009 0.000 0.296 535 N C -2.659 172.789 175.510 -0.105 0.000 1.886 535 N CA -1.148 51.861 53.050 -0.068 0.000 0.855 535 N CB -0.346 38.111 38.487 -0.050 0.000 1.336 535 N HN -0.056 nan 8.380 nan 0.000 0.496 536 P HA -0.021 nan 4.420 nan 0.000 0.267 536 P C 1.134 178.302 177.300 -0.221 0.000 1.195 536 P CA -0.289 62.680 63.100 -0.217 0.000 0.773 536 P CB 1.713 33.297 31.700 -0.193 0.000 0.837 537 L N 0.167 121.194 121.223 -0.327 0.000 2.291 537 L HA 0.071 4.416 4.340 0.009 0.000 0.214 537 L C 1.133 177.885 176.870 -0.197 0.000 1.120 537 L CA 1.108 55.797 54.840 -0.252 0.000 0.799 537 L CB -0.222 41.643 42.059 -0.323 0.000 0.925 537 L HN 0.564 nan 8.230 nan 0.000 0.446 538 A N -2.008 120.684 122.820 -0.214 0.000 2.590 538 A HA 0.412 4.738 4.320 0.009 0.000 0.294 538 A C -2.193 175.305 177.584 -0.143 0.000 1.046 538 A CA -0.780 51.166 52.037 -0.152 0.000 0.684 538 A CB 0.402 19.315 19.000 -0.145 0.000 1.279 538 A HN -0.218 nan 8.150 nan 0.000 0.415 539 P HA -0.236 nan 4.420 nan 0.000 0.218 539 P C 0.876 178.129 177.300 -0.078 0.000 1.146 539 P CA 1.957 65.010 63.100 -0.079 0.000 0.820 539 P CB 0.133 31.801 31.700 -0.053 0.000 0.778 540 E N 0.656 120.805 120.200 -0.085 0.000 2.371 540 E HA -0.068 4.288 4.350 0.009 0.000 0.194 540 E C 0.806 177.346 176.600 -0.100 0.000 1.012 540 E CA 0.589 56.946 56.400 -0.072 0.000 0.860 540 E CB -0.285 29.381 29.700 -0.056 0.000 0.811 540 E HN 0.297 nan 8.360 nan 0.000 0.502 541 K N 0.734 121.025 120.400 -0.181 0.000 3.109 541 K HA 0.400 4.726 4.320 0.009 0.000 0.214 541 K C 0.644 177.038 176.600 -0.342 0.000 1.196 541 K CA 0.099 56.207 56.287 -0.299 0.000 1.115 541 K CB 1.096 33.273 32.500 -0.538 0.000 1.103 541 K HN 0.094 nan 8.250 nan 0.000 0.467 542 A N 0.675 123.395 122.820 -0.168 0.000 1.887 542 A HA 0.286 4.611 4.320 0.009 0.000 0.212 542 A C 1.061 178.601 177.584 -0.073 0.000 1.198 542 A CA 0.859 52.821 52.037 -0.126 0.000 0.628 542 A CB 0.175 19.127 19.000 -0.081 0.000 0.847 542 A HN 0.383 nan 8.150 nan 0.000 0.449 543 A N -1.207 121.601 122.820 -0.021 0.000 2.344 543 A HA 0.739 5.065 4.320 0.009 0.000 0.307 543 A C -0.657 176.968 177.584 0.068 0.000 1.151 543 A CA -0.655 51.387 52.037 0.008 0.000 0.842 543 A CB 0.574 19.577 19.000 0.005 0.000 1.350 543 A HN 0.346 nan 8.150 nan 0.000 0.459 544 L N -0.066 121.184 121.223 0.046 0.000 2.352 544 L HA 0.579 4.925 4.340 0.009 0.000 0.269 544 L C 0.515 177.465 176.870 0.133 0.000 1.034 544 L CA -0.937 53.956 54.840 0.089 0.000 0.806 544 L CB 1.100 43.083 42.059 -0.127 0.000 1.244 544 L HN 0.826 nan 8.230 nan 0.000 0.447 545 R N -0.872 119.730 120.500 0.171 0.000 2.458 545 R HA 0.114 4.460 4.340 0.009 0.000 0.303 545 R C 0.438 176.734 176.300 -0.006 0.000 1.013 545 R CA 0.315 56.443 56.100 0.048 0.000 1.026 545 R CB -0.263 30.014 30.300 -0.038 0.000 0.948 545 R HN 0.798 nan 8.270 nan 0.000 0.417 546 T N -1.165 113.344 114.554 -0.074 0.000 3.081 546 T HA 0.064 4.420 4.350 0.009 0.000 0.255 546 T C 0.013 174.357 174.700 -0.593 0.000 1.113 546 T CA 0.283 62.252 62.100 -0.219 0.000 1.082 546 T CB -0.242 68.572 68.868 -0.090 0.000 0.939 546 T HN 0.772 nan 8.240 nan 0.000 0.506 547 H N -1.733 117.224 119.070 -0.189 0.000 3.008 547 H HA 0.598 5.160 4.556 0.009 0.000 0.354 547 H C -0.275 174.884 175.328 -0.282 0.000 1.252 547 H CA -0.955 54.956 56.048 -0.228 0.000 1.117 547 H CB 1.326 30.779 29.762 -0.516 0.000 1.857 547 H HN -0.123 nan 8.280 nan 0.000 0.547 548 L N 0.572 121.753 121.223 -0.071 0.000 2.470 548 L HA 0.083 4.428 4.340 0.009 0.000 0.219 548 L C 1.772 178.581 176.870 -0.101 0.000 1.071 548 L CA 0.695 55.470 54.840 -0.109 0.000 0.850 548 L CB -0.554 41.457 42.059 -0.080 0.000 1.040 548 L HN 0.693 nan 8.230 nan 0.000 0.475 549 F N 0.098 120.014 119.950 -0.057 0.000 2.202 549 F HA -0.017 4.517 4.527 0.010 0.000 0.301 549 F C -0.674 175.055 175.800 -0.118 0.000 1.082 549 F CA 0.511 58.468 58.000 -0.070 0.000 1.313 549 F CB -2.635 36.355 39.000 -0.017 0.000 1.024 549 F HN 0.096 nan 8.300 nan 0.000 0.495 550 P HA -0.123 nan 4.420 nan 0.000 0.216 550 P C 2.079 179.195 177.300 -0.305 0.000 1.157 550 P CA 2.737 65.359 63.100 -0.796 0.000 0.880 550 P CB -0.513 30.576 31.700 -1.018 0.000 0.791 551 G N -0.838 107.839 108.800 -0.205 0.000 2.394 551 G HA2 -0.194 3.771 3.960 0.009 0.000 0.215 551 G HA3 -0.194 3.771 3.960 0.009 0.000 0.215 551 G C 1.584 176.484 174.900 -0.000 0.000 1.165 551 G CA 0.292 45.349 45.100 -0.072 0.000 0.784 551 G HN 0.202 nan 8.290 nan 0.000 0.535 552 L N 0.419 121.649 121.223 0.012 0.000 2.012 552 L HA -0.149 4.197 4.340 0.009 0.000 0.210 552 L C 3.063 179.984 176.870 0.084 0.000 1.073 552 L CA 1.054 55.923 54.840 0.048 0.000 0.748 552 L CB -0.297 41.794 42.059 0.053 0.000 0.891 552 L HN 0.151 nan 8.230 nan 0.000 0.431 553 V N -0.841 119.157 119.914 0.140 0.000 2.358 553 V HA -0.289 3.837 4.120 0.009 0.000 0.246 553 V C 2.513 178.676 176.094 0.116 0.000 1.047 553 V CA 1.827 64.218 62.300 0.152 0.000 1.035 553 V CB -0.779 31.221 31.823 0.294 0.000 0.658 553 V HN 0.416 nan 8.190 nan 0.000 0.452 554 R N 0.048 120.625 120.500 0.129 0.000 2.097 554 R HA -0.182 4.164 4.340 0.009 0.000 0.236 554 R C 2.341 178.680 176.300 0.065 0.000 1.135 554 R CA 2.101 58.264 56.100 0.104 0.000 0.934 554 R CB -0.750 29.591 30.300 0.069 0.000 0.846 554 R HN 0.333 nan 8.270 nan 0.000 0.431 555 V N 1.203 121.151 119.914 0.058 0.000 2.282 555 V HA -0.296 3.829 4.120 0.009 0.000 0.249 555 V C 2.316 178.431 176.094 0.036 0.000 1.057 555 V CA 2.120 64.452 62.300 0.053 0.000 1.032 555 V CB -0.489 31.367 31.823 0.055 0.000 0.645 555 V HN 0.460 nan 8.190 nan 0.000 0.447 556 L N -0.104 121.133 121.223 0.024 0.000 2.013 556 L HA -0.222 4.124 4.340 0.009 0.000 0.212 556 L C 2.563 179.392 176.870 -0.069 0.000 1.073 556 L CA 2.227 57.051 54.840 -0.027 0.000 0.753 556 L CB -0.614 41.402 42.059 -0.071 0.000 0.890 556 L HN 0.164 nan 8.230 nan 0.000 0.432 557 K N 0.567 120.937 120.400 -0.049 0.000 2.020 557 K HA -0.255 4.071 4.320 0.009 0.000 0.212 557 K C 1.981 178.571 176.600 -0.016 0.000 1.050 557 K CA 2.383 58.643 56.287 -0.045 0.000 0.929 557 K CB -0.446 32.054 32.500 -0.001 0.000 0.714 557 K HN 0.579 nan 8.250 nan 0.000 0.443 558 E N 0.174 120.380 120.200 0.010 0.000 2.333 558 E HA -0.157 4.199 4.350 0.009 0.000 0.200 558 E C 1.738 178.351 176.600 0.022 0.000 1.010 558 E CA 0.690 57.103 56.400 0.022 0.000 0.841 558 E CB -0.034 29.688 29.700 0.035 0.000 0.757 558 E HN 0.338 nan 8.360 nan 0.000 0.508 559 N N 0.122 118.832 118.700 0.017 0.000 2.333 559 N HA -0.023 4.723 4.740 0.009 0.000 0.178 559 N C 1.858 177.388 175.510 0.035 0.000 1.018 559 N CA 0.536 53.605 53.050 0.032 0.000 0.882 559 N CB 0.187 38.702 38.487 0.046 0.000 0.984 559 N HN 0.183 nan 8.380 nan 0.000 0.434 560 L N 0.969 122.197 121.223 0.007 0.000 2.027 560 L HA -0.118 4.228 4.340 0.009 0.000 0.206 560 L C 1.713 178.600 176.870 0.028 0.000 1.074 560 L CA 1.032 55.885 54.840 0.021 0.000 0.745 560 L CB -0.573 41.469 42.059 -0.027 0.000 0.898 560 L HN -0.064 nan 8.230 nan 0.000 0.433 561 D N 0.193 120.603 120.400 0.016 0.000 2.190 561 D HA -0.171 4.475 4.640 0.009 0.000 0.200 561 D C 2.222 178.537 176.300 0.025 0.000 0.992 561 D CA 1.345 55.356 54.000 0.019 0.000 0.854 561 D CB 0.120 40.930 40.800 0.017 0.000 0.936 561 D HN 0.278 nan 8.370 nan 0.000 0.462 562 L N -0.485 120.756 121.223 0.030 0.000 2.433 562 L HA 0.059 4.405 4.340 0.009 0.000 0.200 562 L C 0.963 177.855 176.870 0.037 0.000 1.059 562 L CA 0.530 55.390 54.840 0.032 0.000 0.835 562 L CB 0.511 42.590 42.059 0.033 0.000 1.076 562 L HN -0.193 nan 8.230 nan 0.000 0.481 563 D N -0.402 120.026 120.400 0.046 0.000 2.441 563 D HA 0.102 4.748 4.640 0.009 0.000 0.210 563 D C 0.194 176.532 176.300 0.063 0.000 1.102 563 D CA -0.091 53.940 54.000 0.052 0.000 0.840 563 D CB 0.510 41.344 40.800 0.055 0.000 0.990 563 D HN -0.009 nan 8.370 nan 0.000 0.505 564 R N 0.646 121.190 120.500 0.072 0.000 3.322 564 R HA -0.148 4.197 4.340 0.009 0.000 0.253 564 R C -2.237 174.131 176.300 0.114 0.000 0.987 564 R CA -0.005 56.149 56.100 0.091 0.000 0.666 564 R CB -1.529 28.811 30.300 0.067 0.000 1.072 564 R HN 0.253 nan 8.270 nan 0.000 0.447 565 P HA 0.011 nan 4.420 nan 0.000 0.272 565 P C 0.538 177.929 177.300 0.152 0.000 1.230 565 P CA -0.224 62.962 63.100 0.144 0.000 0.788 565 P CB 0.613 32.421 31.700 0.180 0.000 0.949 566 E N 0.597 120.810 120.200 0.023 0.000 2.318 566 E HA 0.019 4.374 4.350 0.009 0.000 0.193 566 E C 0.667 177.014 176.600 -0.422 0.000 0.998 566 E CA 0.761 57.098 56.400 -0.104 0.000 0.859 566 E CB 0.293 29.944 29.700 -0.081 0.000 0.812 566 E HN 0.531 nan 8.360 nan 0.000 0.492 567 R N -1.610 118.668 120.500 -0.370 0.000 2.747 567 R HA 0.789 5.135 4.340 0.009 0.000 0.272 567 R C -1.374 174.857 176.300 -0.114 0.000 1.032 567 R CA -0.881 54.888 56.100 -0.552 0.000 0.896 567 R CB 1.230 31.333 30.300 -0.327 0.000 1.253 567 R HN -0.080 nan 8.270 nan 0.000 0.461 568 A N 0.539 123.372 122.820 0.021 0.000 2.583 568 A HA 0.587 4.912 4.320 0.009 0.000 0.298 568 A C -2.131 175.526 177.584 0.121 0.000 1.055 568 A CA -0.645 51.485 52.037 0.156 0.000 0.714 568 A CB 2.059 21.260 19.000 0.336 0.000 1.277 568 A HN 0.555 nan 8.150 nan 0.000 0.406 569 L N 2.732 123.995 121.223 0.066 0.000 2.529 569 L HA 0.668 5.013 4.340 0.009 0.000 0.260 569 L C -1.173 175.834 176.870 0.228 0.000 0.997 569 L CA 0.007 54.874 54.840 0.045 0.000 0.885 569 L CB 0.802 42.660 42.059 -0.335 0.000 1.185 569 L HN 0.696 nan 8.230 nan 0.000 0.442 570 L N 2.745 124.182 121.223 0.357 0.000 2.347 570 L HA 0.793 5.139 4.340 0.009 0.000 0.268 570 L C -0.582 176.629 176.870 0.570 0.000 1.019 570 L CA -0.993 54.096 54.840 0.415 0.000 0.806 570 L CB 1.504 43.711 42.059 0.246 0.000 1.339 570 L HN 0.543 nan 8.230 nan 0.000 0.463 571 F N -1.109 118.948 119.950 0.177 0.000 2.703 571 F HA 0.742 5.274 4.527 0.009 0.000 0.308 571 F C -1.218 174.586 175.800 0.007 0.000 1.126 571 F CA -0.581 57.439 58.000 0.033 0.000 0.959 571 F CB 1.799 40.752 39.000 -0.079 0.000 1.297 571 F HN 0.630 nan 8.300 nan 0.000 0.441 572 E N 1.853 121.697 120.200 -0.593 0.000 2.413 572 E HA 0.711 5.067 4.350 0.009 0.000 0.277 572 E C -2.081 174.241 176.600 -0.463 0.000 0.958 572 E CA -1.017 55.032 56.400 -0.585 0.000 0.779 572 E CB 2.735 32.251 29.700 -0.307 0.000 1.278 572 E HN 0.687 nan 8.360 nan 0.000 0.456 573 V N 2.902 122.566 119.914 -0.417 0.000 2.570 573 V HA 0.483 4.609 4.120 0.009 0.000 0.271 573 V C 0.254 176.177 176.094 -0.285 0.000 1.005 573 V CA -0.109 62.032 62.300 -0.264 0.000 1.111 573 V CB 0.645 32.365 31.823 -0.171 0.000 1.259 573 V HN 0.675 nan 8.190 nan 0.000 0.571 574 G N 0.779 109.399 108.800 -0.300 0.000 2.531 574 G HA2 0.549 4.515 3.960 0.009 0.000 0.313 574 G HA3 0.549 4.515 3.960 0.009 0.000 0.313 574 G C -0.337 174.364 174.900 -0.333 0.000 1.238 574 G CA -0.803 44.100 45.100 -0.328 0.000 0.994 574 G HN 0.281 nan 8.290 nan 0.000 0.493 575 R N -0.684 119.580 120.500 -0.393 0.000 2.389 575 R HA 0.330 4.676 4.340 0.009 0.000 0.295 575 R C -0.850 174.921 176.300 -0.883 0.000 1.075 575 R CA -0.273 55.474 56.100 -0.589 0.000 1.005 575 R CB 1.321 31.269 30.300 -0.587 0.000 0.987 575 R HN 0.160 nan 8.270 nan 0.000 0.452 576 V N 5.579 124.906 119.914 -0.978 0.000 2.444 576 V HA 0.386 4.511 4.120 0.009 0.000 0.294 576 V C -0.908 174.677 176.094 -0.849 0.000 1.022 576 V CA -0.649 61.102 62.300 -0.913 0.000 0.850 576 V CB 1.266 32.507 31.823 -0.970 0.000 0.992 576 V HN 0.479 nan 8.190 nan 0.000 0.426 577 F N 5.503 125.323 119.950 -0.217 0.000 2.402 577 F HA 0.820 5.352 4.527 0.009 0.000 0.355 577 F C 0.473 176.204 175.800 -0.115 0.000 1.123 577 F CA -0.857 57.056 58.000 -0.144 0.000 1.021 577 F CB 1.147 40.088 39.000 -0.099 0.000 1.160 577 F HN 0.492 nan 8.300 nan 0.000 0.451 578 R N 1.933 122.477 120.500 0.074 0.000 2.937 578 R HA 0.394 4.740 4.340 0.009 0.000 0.273 578 R C -0.493 175.831 176.300 0.039 0.000 1.176 578 R CA -0.758 55.367 56.100 0.042 0.000 1.132 578 R CB 0.959 31.255 30.300 -0.007 0.000 1.270 578 R HN 0.698 nan 8.270 nan 0.000 0.425 579 E N -0.286 119.941 120.200 0.046 0.000 4.540 579 E HA -0.353 4.002 4.350 0.009 0.000 0.175 579 E C 0.158 176.783 176.600 0.041 0.000 1.236 579 E CA 2.306 58.731 56.400 0.042 0.000 2.396 579 E CB -0.669 29.058 29.700 0.044 0.000 1.797 579 E HN 0.765 nan 8.360 nan 0.000 0.437 580 R N 0.361 120.884 120.500 0.038 0.000 3.416 580 R HA 0.564 4.910 4.340 0.009 0.000 0.236 580 R C -1.386 174.934 176.300 0.034 0.000 1.576 580 R CA -0.319 55.802 56.100 0.035 0.000 1.011 580 R CB 1.409 31.724 30.300 0.026 0.000 1.670 580 R HN 0.064 nan 8.270 nan 0.000 0.519 581 E N 0.402 120.603 120.200 0.003 0.000 2.263 581 E HA 0.265 4.620 4.350 0.009 0.000 0.268 581 E C -1.604 174.911 176.600 -0.141 0.000 0.884 581 E CA -0.362 56.000 56.400 -0.064 0.000 0.766 581 E CB 1.709 31.427 29.700 0.031 0.000 1.196 581 E HN 0.470 nan 8.360 nan 0.000 0.416 582 E N 1.550 121.583 120.200 -0.278 0.000 2.410 582 E HA 0.452 4.808 4.350 0.009 0.000 0.269 582 E C -1.162 175.258 176.600 -0.301 0.000 0.937 582 E CA -1.072 55.198 56.400 -0.217 0.000 0.793 582 E CB 2.077 31.708 29.700 -0.116 0.000 1.314 582 E HN 0.370 nan 8.360 nan 0.000 0.447 583 T N 0.742 115.226 114.554 -0.117 0.000 2.795 583 T HA 0.477 4.832 4.350 0.009 0.000 0.282 583 T C -0.813 173.953 174.700 0.111 0.000 0.980 583 T CA -0.758 61.284 62.100 -0.096 0.000 1.012 583 T CB 0.591 69.429 68.868 -0.050 0.000 0.936 583 T HN 0.290 nan 8.240 nan 0.000 0.457 584 H N 0.989 119.969 119.070 -0.149 0.000 2.747 584 H HA 0.700 5.262 4.556 0.009 0.000 0.371 584 H C -1.004 174.243 175.328 -0.136 0.000 1.161 584 H CA -1.337 54.636 56.048 -0.126 0.000 1.167 584 H CB 1.659 31.334 29.762 -0.146 0.000 1.732 584 H HN 0.504 nan 8.280 nan 0.000 0.544 585 L N 1.678 122.888 121.223 -0.022 0.000 2.325 585 L HA 0.801 5.147 4.340 0.009 0.000 0.281 585 L C -0.948 175.753 176.870 -0.281 0.000 1.004 585 L CA -0.261 54.531 54.840 -0.080 0.000 0.823 585 L CB 0.837 42.913 42.059 0.029 0.000 1.236 585 L HN 0.743 nan 8.230 nan 0.000 0.415 586 A N 3.073 125.659 122.820 -0.391 0.000 2.566 586 A HA 1.011 5.337 4.320 0.009 0.000 0.292 586 A C -0.604 176.581 177.584 -0.665 0.000 1.112 586 A CA -0.116 51.472 52.037 -0.749 0.000 0.707 586 A CB 1.759 20.527 19.000 -0.387 0.000 1.302 586 A HN 1.135 nan 8.150 nan 0.000 0.409 587 G N -0.540 107.754 108.800 -0.844 0.000 2.616 587 G HA2 0.650 4.616 3.960 0.009 0.000 0.294 587 G HA3 0.650 4.616 3.960 0.009 0.000 0.294 587 G C -1.302 173.657 174.900 0.098 0.000 1.489 587 G CA -0.015 45.011 45.100 -0.122 0.000 0.836 587 G HN 1.769 nan 8.290 nan 0.000 0.527 588 L N 0.101 121.467 121.223 0.240 0.000 2.354 588 L HA 0.982 5.328 4.340 0.009 0.000 0.264 588 L C -1.108 175.948 176.870 0.311 0.000 1.008 588 L CA -1.127 53.874 54.840 0.268 0.000 0.819 588 L CB 2.052 44.222 42.059 0.183 0.000 1.339 588 L HN 0.625 nan 8.230 nan 0.000 0.420 589 L N 2.298 123.703 121.223 0.302 0.000 2.397 589 L HA 0.875 5.221 4.340 0.009 0.000 0.266 589 L C -0.849 176.238 176.870 0.361 0.000 1.040 589 L CA -0.320 54.664 54.840 0.241 0.000 0.800 589 L CB 1.722 43.880 42.059 0.165 0.000 1.324 589 L HN 0.833 nan 8.230 nan 0.000 0.469 590 F N 0.378 120.391 119.950 0.105 0.000 2.845 590 F HA 0.491 5.024 4.527 0.011 0.000 0.330 590 F C -0.352 175.483 175.800 0.059 0.000 1.130 590 F CA 0.223 58.280 58.000 0.094 0.000 0.914 590 F CB -0.300 38.744 39.000 0.073 0.000 1.331 590 F HN 1.211 nan 8.300 nan 0.000 0.463 591 G N 4.134 112.410 108.800 -0.872 0.000 2.584 591 G HA2 -0.165 3.800 3.960 0.009 0.000 0.229 591 G HA3 -0.165 3.800 3.960 0.009 0.000 0.229 591 G C 0.581 175.290 174.900 -0.319 0.000 1.320 591 G CA 0.471 45.047 45.100 -0.874 0.000 0.891 591 G HN 1.600 nan 8.290 nan 0.000 0.573 592 E N 0.553 120.597 120.200 -0.259 0.000 2.106 592 E HA 0.257 4.612 4.350 0.009 0.000 0.192 592 E C 1.583 178.115 176.600 -0.113 0.000 0.984 592 E CA 1.585 57.902 56.400 -0.138 0.000 0.806 592 E CB -0.261 29.366 29.700 -0.121 0.000 0.750 592 E HN 2.565 nan 8.360 nan 0.000 0.458 593 G N 0.658 109.371 108.800 -0.144 0.000 2.681 593 G HA2 -0.264 3.702 3.960 0.009 0.000 0.220 593 G HA3 -0.264 3.702 3.960 0.009 0.000 0.220 593 G C -0.051 174.798 174.900 -0.085 0.000 1.353 593 G CA -0.168 44.868 45.100 -0.108 0.000 0.872 593 G HN 0.259 nan 8.290 nan 0.000 0.557 594 V N 1.197 121.080 119.914 -0.051 0.000 3.237 594 V HA 0.631 4.757 4.120 0.009 0.000 0.305 594 V C 1.573 177.627 176.094 -0.067 0.000 1.096 594 V CA 1.735 64.009 62.300 -0.044 0.000 1.130 594 V CB 0.493 32.320 31.823 0.006 0.000 1.048 594 V HN 2.732 nan 8.190 nan 0.000 0.484 595 G N 1.418 110.163 108.800 -0.093 0.000 2.302 595 G HA2 0.119 4.085 3.960 0.009 0.000 0.264 595 G HA3 0.119 4.085 3.960 0.009 0.000 0.264 595 G C -1.683 173.092 174.900 -0.209 0.000 1.335 595 G CA -0.946 44.074 45.100 -0.133 0.000 0.982 595 G HN 0.614 nan 8.290 nan 0.000 0.473 596 L N 2.199 123.234 121.223 -0.314 0.000 2.317 596 L HA 0.457 4.803 4.340 0.009 0.000 0.281 596 L C -0.897 175.656 176.870 -0.528 0.000 1.024 596 L CA -1.975 52.530 54.840 -0.559 0.000 0.810 596 L CB 2.537 44.057 42.059 -0.897 0.000 1.240 596 L HN 0.486 nan 8.230 nan 0.000 0.427 597 P HA -0.119 nan 4.420 nan 0.000 0.217 597 P C 0.699 177.873 177.300 -0.210 0.000 1.151 597 P CA 1.334 64.261 63.100 -0.289 0.000 0.828 597 P CB 0.114 31.727 31.700 -0.146 0.000 0.788 598 W N -0.524 120.772 121.300 -0.006 0.000 3.223 598 W HA 0.712 5.375 4.660 0.004 0.000 0.389 598 W C -0.526 175.991 176.519 -0.003 0.000 1.118 598 W CA -0.717 56.626 57.345 -0.004 0.000 1.902 598 W CB -0.277 29.181 29.460 -0.004 0.000 1.094 598 W HN -0.135 nan 8.180 nan 0.000 0.666 599 A N 1.840 124.488 122.820 -0.286 0.000 2.355 599 A HA 0.352 4.678 4.320 0.009 0.000 0.317 599 A C 0.892 178.405 177.584 -0.120 0.000 1.094 599 A CA -0.685 51.244 52.037 -0.181 0.000 0.764 599 A CB 1.749 20.511 19.000 -0.396 0.000 1.230 599 A HN 0.133 nan 8.150 nan 0.000 0.448 600 K N 0.929 121.306 120.400 -0.039 0.000 2.442 600 K HA -0.083 4.243 4.320 0.009 0.000 0.198 600 K C 0.224 176.795 176.600 -0.048 0.000 1.042 600 K CA 1.255 57.524 56.287 -0.029 0.000 0.958 600 K CB 0.113 32.614 32.500 0.000 0.000 0.766 600 K HN 0.853 nan 8.250 nan 0.000 0.474 601 E N 1.114 121.272 120.200 -0.071 0.000 2.156 601 E HA 0.225 4.580 4.350 0.009 0.000 0.279 601 E C -0.577 175.969 176.600 -0.089 0.000 0.965 601 E CA -0.959 55.402 56.400 -0.066 0.000 0.789 601 E CB 1.261 30.930 29.700 -0.052 0.000 1.098 601 E HN -0.100 nan 8.360 nan 0.000 0.397 602 R N 1.964 122.424 120.500 -0.066 0.000 2.810 602 R HA 0.552 4.898 4.340 0.009 0.000 0.245 602 R C -0.601 175.674 176.300 -0.042 0.000 1.168 602 R CA -1.208 54.851 56.100 -0.068 0.000 1.096 602 R CB 0.744 31.006 30.300 -0.063 0.000 1.259 602 R HN 0.630 nan 8.270 nan 0.000 0.518 603 L N 1.002 122.206 121.223 -0.033 0.000 2.482 603 L HA 0.450 4.795 4.340 0.009 0.000 0.269 603 L C -0.818 176.055 176.870 0.005 0.000 0.967 603 L CA 0.160 54.996 54.840 -0.007 0.000 0.851 603 L CB 1.197 43.248 42.059 -0.013 0.000 1.242 603 L HN 0.921 nan 8.230 nan 0.000 0.404 604 S N 2.985 118.700 115.700 0.025 0.000 3.319 604 S HA 0.862 5.337 4.470 0.009 0.000 0.310 604 S C 0.244 174.854 174.600 0.017 0.000 1.223 604 S CA 0.054 58.263 58.200 0.014 0.000 1.189 604 S CB 0.681 63.875 63.200 -0.011 0.000 1.514 604 S HN 1.783 nan 8.310 nan 0.000 0.554 605 G N 1.029 109.821 108.800 -0.013 0.000 2.569 605 G HA2 -0.320 3.646 3.960 0.009 0.000 0.259 605 G HA3 -0.320 3.646 3.960 0.009 0.000 0.259 605 G C 0.250 174.856 174.900 -0.489 0.000 1.263 605 G CA 0.923 45.951 45.100 -0.121 0.000 0.928 605 G HN 1.624 nan 8.290 nan 0.000 0.572 606 Y N 0.310 120.115 120.300 -0.825 0.000 2.097 606 Y HA 0.034 4.589 4.550 0.008 0.000 0.282 606 Y C 2.820 178.445 175.900 -0.459 0.000 1.152 606 Y CA 2.813 60.451 58.100 -0.770 0.000 1.136 606 Y CB -0.356 37.742 38.460 -0.604 0.000 0.975 606 Y HN 0.375 nan 8.280 nan 0.000 0.498 607 F N -0.790 119.219 119.950 0.099 0.000 2.408 607 F HA -0.178 4.355 4.527 0.010 0.000 0.300 607 F C 2.014 177.799 175.800 -0.025 0.000 1.090 607 F CA 0.652 58.684 58.000 0.054 0.000 1.427 607 F CB -0.421 38.642 39.000 0.105 0.000 1.070 607 F HN 0.202 nan 8.300 nan 0.000 0.549 608 L N 0.168 121.432 121.223 0.068 0.000 1.961 608 L HA -0.162 4.184 4.340 0.009 0.000 0.209 608 L C 2.240 179.172 176.870 0.102 0.000 1.075 608 L CA 1.628 56.523 54.840 0.093 0.000 0.749 608 L CB -1.087 40.991 42.059 0.032 0.000 0.890 608 L HN 0.140 nan 8.230 nan 0.000 0.433 609 L N 0.006 121.194 121.223 -0.059 0.000 2.187 609 L HA -0.230 4.116 4.340 0.009 0.000 0.213 609 L C 2.411 179.221 176.870 -0.100 0.000 1.100 609 L CA 2.160 56.964 54.840 -0.061 0.000 0.765 609 L CB -0.699 41.310 42.059 -0.083 0.000 0.904 609 L HN 0.519 nan 8.230 nan 0.000 0.437 610 K N -0.066 120.199 120.400 -0.225 0.000 2.217 610 K HA -0.031 4.294 4.320 0.009 0.000 0.202 610 K C 1.854 178.480 176.600 0.044 0.000 1.051 610 K CA 1.392 57.565 56.287 -0.190 0.000 0.952 610 K CB -0.402 31.852 32.500 -0.410 0.000 0.736 610 K HN 0.260 nan 8.250 nan 0.000 0.453 611 G N -0.826 108.023 108.800 0.081 0.000 2.396 611 G HA2 -0.175 3.791 3.960 0.009 0.000 0.214 611 G HA3 -0.175 3.791 3.960 0.009 0.000 0.214 611 G C 1.173 176.070 174.900 -0.005 0.000 1.166 611 G CA 0.343 45.483 45.100 0.067 0.000 0.793 611 G HN 0.324 nan 8.290 nan 0.000 0.533 612 Y N 0.289 120.556 120.300 -0.054 0.000 2.315 612 Y HA -0.010 4.545 4.550 0.008 0.000 0.288 612 Y C 2.662 178.521 175.900 -0.068 0.000 1.154 612 Y CA 0.529 58.603 58.100 -0.044 0.000 1.229 612 Y CB 0.144 38.593 38.460 -0.018 0.000 0.980 612 Y HN 0.055 nan 8.280 nan 0.000 0.540 613 L N 0.145 121.353 121.223 -0.025 0.000 2.023 613 L HA -0.165 4.180 4.340 0.009 0.000 0.205 613 L C 2.223 178.889 176.870 -0.339 0.000 1.073 613 L CA 1.888 56.561 54.840 -0.278 0.000 0.745 613 L CB -1.016 40.793 42.059 -0.417 0.000 0.900 613 L HN 0.422 nan 8.230 nan 0.000 0.435 614 E N 0.176 120.258 120.200 -0.197 0.000 2.110 614 E HA -0.179 4.176 4.350 0.009 0.000 0.193 614 E C 2.134 178.720 176.600 -0.023 0.000 0.988 614 E CA 1.141 57.521 56.400 -0.035 0.000 0.804 614 E CB -0.259 29.548 29.700 0.178 0.000 0.745 614 E HN 0.397 nan 8.360 nan 0.000 0.458 615 A N 2.696 125.472 122.820 -0.073 0.000 1.859 615 A HA -0.218 4.108 4.320 0.009 0.000 0.217 615 A C 2.314 179.832 177.584 -0.110 0.000 1.198 615 A CA 1.708 53.678 52.037 -0.111 0.000 0.629 615 A CB -1.050 17.826 19.000 -0.208 0.000 0.830 615 A HN 0.312 nan 8.150 nan 0.000 0.446 616 L N -1.892 119.251 121.223 -0.134 0.000 1.956 616 L HA -0.229 4.116 4.340 0.009 0.000 0.216 616 L C 2.479 179.147 176.870 -0.338 0.000 1.073 616 L CA 2.425 57.133 54.840 -0.220 0.000 0.762 616 L CB -0.462 41.437 42.059 -0.267 0.000 0.889 616 L HN 0.406 nan 8.230 nan 0.000 0.433 617 F N 0.034 119.831 119.950 -0.255 0.000 2.087 617 F HA -0.350 4.183 4.527 0.009 0.000 0.299 617 F C 2.552 178.303 175.800 -0.081 0.000 1.100 617 F CA 1.791 59.676 58.000 -0.192 0.000 1.226 617 F CB -0.940 37.883 39.000 -0.295 0.000 0.983 617 F HN 0.273 nan 8.300 nan 0.000 0.479 618 A N -0.043 122.804 122.820 0.046 0.000 1.865 618 A HA -0.265 4.061 4.320 0.009 0.000 0.217 618 A C 2.090 179.663 177.584 -0.018 0.000 1.191 618 A CA 1.943 54.002 52.037 0.037 0.000 0.623 618 A CB -0.793 18.225 19.000 0.031 0.000 0.826 618 A HN 0.294 nan 8.150 nan 0.000 0.444 619 R N 0.006 120.468 120.500 -0.063 0.000 2.341 619 R HA 0.063 4.409 4.340 0.009 0.000 0.213 619 R C 1.123 177.364 176.300 -0.099 0.000 1.082 619 R CA 1.059 57.112 56.100 -0.078 0.000 1.017 619 R CB -0.734 29.509 30.300 -0.095 0.000 0.860 619 R HN 0.531 nan 8.270 nan 0.000 0.473 620 L N -1.390 119.756 121.223 -0.127 0.000 2.616 620 L HA 0.309 4.655 4.340 0.009 0.000 0.229 620 L C 1.028 177.865 176.870 -0.055 0.000 1.110 620 L CA 0.443 55.198 54.840 -0.141 0.000 0.884 620 L CB 0.208 42.092 42.059 -0.292 0.000 1.115 620 L HN 0.541 nan 8.230 nan 0.000 0.481 621 G N 0.980 109.774 108.800 -0.010 0.000 2.148 621 G HA2 -0.274 3.692 3.960 0.009 0.000 0.254 621 G HA3 -0.274 3.692 3.960 0.009 0.000 0.254 621 G C 0.008 174.950 174.900 0.071 0.000 0.981 621 G CA 0.155 45.272 45.100 0.029 0.000 0.670 621 G HN 0.236 nan 8.290 nan 0.000 0.528 622 L N -0.017 121.274 121.223 0.112 0.000 2.322 622 L HA 0.839 5.184 4.340 0.009 0.000 0.269 622 L C 0.758 177.793 176.870 0.274 0.000 1.012 622 L CA -0.736 54.232 54.840 0.212 0.000 0.815 622 L CB 1.950 44.201 42.059 0.319 0.000 1.295 622 L HN 0.251 nan 8.230 nan 0.000 0.438 623 A N 1.752 124.710 122.820 0.230 0.000 2.328 623 A HA 0.565 4.891 4.320 0.009 0.000 0.284 623 A C -1.139 176.559 177.584 0.190 0.000 1.160 623 A CA -0.088 52.060 52.037 0.185 0.000 0.818 623 A CB 0.234 19.302 19.000 0.112 0.000 1.087 623 A HN 0.550 nan 8.150 nan 0.000 0.504 624 F N 2.709 122.628 119.950 -0.050 0.000 2.539 624 F HA 0.667 5.199 4.527 0.008 0.000 0.328 624 F C -0.111 175.619 175.800 -0.115 0.000 1.148 624 F CA -0.476 57.388 58.000 -0.227 0.000 0.940 624 F CB 1.345 40.126 39.000 -0.366 0.000 1.194 624 F HN 0.647 nan 8.300 nan 0.000 0.438 625 R N 4.100 124.217 120.500 -0.638 0.000 2.750 625 R HA 0.753 5.098 4.340 0.009 0.000 0.281 625 R C -1.752 174.162 176.300 -0.643 0.000 0.972 625 R CA -1.119 54.671 56.100 -0.517 0.000 0.912 625 R CB 2.635 32.809 30.300 -0.209 0.000 1.187 625 R HN 0.458 nan 8.270 nan 0.000 0.464 626 V N 2.093 121.753 119.914 -0.423 0.000 2.409 626 V HA 0.290 4.415 4.120 0.009 0.000 0.291 626 V C -0.498 175.569 176.094 -0.046 0.000 1.020 626 V CA -0.475 61.688 62.300 -0.228 0.000 0.848 626 V CB 1.610 33.358 31.823 -0.125 0.000 0.990 626 V HN 0.719 nan 8.190 nan 0.000 0.430 627 E N 3.582 123.781 120.200 -0.001 0.000 2.221 627 E HA 0.779 5.135 4.350 0.009 0.000 0.268 627 E C -0.160 176.487 176.600 0.079 0.000 0.933 627 E CA -0.621 55.799 56.400 0.034 0.000 0.809 627 E CB 1.937 31.648 29.700 0.019 0.000 1.190 627 E HN 0.810 nan 8.360 nan 0.000 0.406 628 A N 2.835 125.696 122.820 0.068 0.000 2.386 628 A HA 0.366 4.692 4.320 0.009 0.000 0.248 628 A C -0.446 177.162 177.584 0.040 0.000 1.082 628 A CA 0.050 52.129 52.037 0.069 0.000 0.789 628 A CB 0.588 19.613 19.000 0.042 0.000 1.025 628 A HN 0.607 nan 8.150 nan 0.000 0.490 629 Q N 0.325 120.139 119.800 0.024 0.000 3.181 629 Q HA 0.410 4.756 4.340 0.009 0.000 0.193 629 Q C -0.741 175.143 176.000 -0.193 0.000 0.816 629 Q CA 0.319 56.059 55.803 -0.106 0.000 1.261 629 Q CB -0.227 28.431 28.738 -0.133 0.000 1.597 629 Q HN 1.684 nan 8.270 nan 0.000 0.607 630 A N 3.137 125.847 122.820 -0.184 0.000 2.546 630 A HA 0.467 4.792 4.320 0.009 0.000 0.243 630 A C -0.845 176.493 177.584 -0.410 0.000 1.063 630 A CA 0.577 52.496 52.037 -0.195 0.000 0.757 630 A CB -0.014 18.870 19.000 -0.193 0.000 0.991 630 A HN 0.516 nan 8.150 nan 0.000 0.503 631 F N 3.527 123.295 119.950 -0.304 0.000 2.458 631 F HA 0.423 4.955 4.527 0.009 0.000 0.330 631 F C -0.893 174.473 175.800 -0.723 0.000 1.082 631 F CA -1.660 56.008 58.000 -0.552 0.000 0.995 631 F CB 1.589 40.171 39.000 -0.697 0.000 1.170 631 F HN 0.464 nan 8.300 nan 0.000 0.478 632 P HA -0.280 nan 4.420 nan 0.000 0.217 632 P C 1.374 178.455 177.300 -0.366 0.000 1.162 632 P CA 2.207 65.030 63.100 -0.462 0.000 0.901 632 P CB -0.235 31.265 31.700 -0.333 0.000 0.793 633 F N -1.346 118.616 119.950 0.020 0.000 2.293 633 F HA 0.137 4.669 4.527 0.009 0.000 0.297 633 F C 1.790 177.578 175.800 -0.019 0.000 1.089 633 F CA -0.279 57.741 58.000 0.033 0.000 1.377 633 F CB -1.951 37.098 39.000 0.081 0.000 1.051 633 F HN -0.244 nan 8.300 nan 0.000 0.511 634 L N 0.337 121.603 121.223 0.071 0.000 2.416 634 L HA 0.051 4.397 4.340 0.009 0.000 0.212 634 L C 0.901 177.793 176.870 0.036 0.000 1.200 634 L CA -0.331 54.574 54.840 0.108 0.000 0.841 634 L CB -0.209 41.931 42.059 0.135 0.000 1.299 634 L HN 0.191 nan 8.230 nan 0.000 0.538 635 H N 1.538 120.609 119.070 0.002 0.000 2.473 635 H HA 0.154 4.716 4.556 0.010 0.000 0.327 635 H C -2.013 173.262 175.328 -0.087 0.000 1.105 635 H CA -2.020 54.009 56.048 -0.032 0.000 1.280 635 H CB 1.966 31.751 29.762 0.037 0.000 1.450 635 H HN 0.239 nan 8.280 nan 0.000 0.492 636 P HA -0.143 nan 4.420 nan 0.000 0.216 636 P C 1.279 178.430 177.300 -0.248 0.000 1.153 636 P CA 1.931 64.766 63.100 -0.442 0.000 0.858 636 P CB -0.175 31.257 31.700 -0.446 0.000 0.789 637 G N -0.515 108.140 108.800 -0.241 0.000 2.623 637 G HA2 0.057 4.022 3.960 0.009 0.000 0.214 637 G HA3 0.057 4.022 3.960 0.009 0.000 0.214 637 G C 0.605 175.590 174.900 0.142 0.000 1.138 637 G CA 0.539 45.702 45.100 0.105 0.000 0.794 637 G HN 0.382 nan 8.290 nan 0.000 0.535 638 V N -2.110 117.958 119.914 0.257 0.000 2.383 638 V HA 0.746 4.871 4.120 0.009 0.000 0.261 638 V C -0.655 175.510 176.094 0.118 0.000 0.987 638 V CA -0.842 61.461 62.300 0.006 0.000 0.853 638 V CB 0.599 32.364 31.823 -0.097 0.000 1.095 638 V HN 0.064 nan 8.190 nan 0.000 0.461 639 S N 2.204 117.975 115.700 0.119 0.000 2.649 639 S HA 0.886 5.362 4.470 0.009 0.000 0.274 639 S C -0.245 174.506 174.600 0.251 0.000 1.176 639 S CA 0.387 58.725 58.200 0.230 0.000 0.988 639 S CB 1.342 64.655 63.200 0.188 0.000 1.071 639 S HN 1.602 nan 8.310 nan 0.000 0.478 640 G N 2.826 111.839 108.800 0.354 0.000 2.704 640 G HA2 0.658 4.624 3.960 0.009 0.000 0.293 640 G HA3 0.658 4.624 3.960 0.009 0.000 0.293 640 G C -1.808 173.345 174.900 0.422 0.000 1.421 640 G CA -1.016 44.281 45.100 0.329 0.000 0.870 640 G HN 0.754 nan 8.290 nan 0.000 0.492 641 R N -0.070 120.674 120.500 0.407 0.000 2.346 641 R HA 0.630 4.975 4.340 0.009 0.000 0.311 641 R C -0.348 176.047 176.300 0.157 0.000 0.983 641 R CA -0.922 55.409 56.100 0.384 0.000 0.880 641 R CB 1.109 31.748 30.300 0.565 0.000 1.100 641 R HN 0.261 nan 8.270 nan 0.000 0.453 642 V N 4.050 124.029 119.914 0.108 0.000 2.540 642 V HA 0.065 4.190 4.120 0.009 0.000 0.297 642 V C -0.045 176.031 176.094 -0.030 0.000 1.024 642 V CA 0.062 62.359 62.300 -0.006 0.000 1.105 642 V CB 0.365 32.249 31.823 0.102 0.000 0.938 642 V HN 0.496 nan 8.190 nan 0.000 0.482 643 L N 6.758 127.884 121.223 -0.161 0.000 2.366 643 L HA 0.443 4.789 4.340 0.009 0.000 0.266 643 L C -0.210 176.590 176.870 -0.117 0.000 1.010 643 L CA -0.123 54.656 54.840 -0.102 0.000 0.879 643 L CB 1.439 43.441 42.059 -0.095 0.000 1.228 643 L HN 0.401 nan 8.230 nan 0.000 0.439 644 V N 2.592 122.488 119.914 -0.030 0.000 2.509 644 V HA 0.249 4.375 4.120 0.009 0.000 0.284 644 V C 0.848 176.985 176.094 0.071 0.000 1.047 644 V CA -0.813 61.502 62.300 0.025 0.000 0.952 644 V CB 1.327 33.237 31.823 0.145 0.000 0.988 644 V HN 0.779 nan 8.190 nan 0.000 0.469 645 E N 3.403 123.662 120.200 0.098 0.000 2.024 645 E HA -0.249 4.106 4.350 0.009 0.000 0.171 645 E C 1.189 177.824 176.600 0.058 0.000 1.417 645 E CA 1.391 57.844 56.400 0.088 0.000 0.650 645 E CB -1.217 28.548 29.700 0.108 0.000 1.044 645 E HN 1.331 nan 8.360 nan 0.000 0.308 646 G N 0.297 109.119 108.800 0.037 0.000 2.498 646 G HA2 -0.380 3.586 3.960 0.009 0.000 0.229 646 G HA3 -0.380 3.586 3.960 0.009 0.000 0.229 646 G C 0.319 175.235 174.900 0.027 0.000 1.156 646 G CA 0.314 45.431 45.100 0.027 0.000 0.680 646 G HN 0.475 nan 8.290 nan 0.000 0.512 647 E N 0.925 121.149 120.200 0.040 0.000 2.222 647 E HA 0.486 4.841 4.350 0.009 0.000 0.272 647 E C -0.260 176.371 176.600 0.050 0.000 0.982 647 E CA -0.556 55.871 56.400 0.046 0.000 0.842 647 E CB 1.412 31.146 29.700 0.056 0.000 1.144 647 E HN 0.353 nan 8.360 nan 0.000 0.397 648 E N 2.160 122.398 120.200 0.063 0.000 2.003 648 E HA 0.043 4.399 4.350 0.009 0.000 0.279 648 E C 0.384 177.044 176.600 0.100 0.000 1.132 648 E CA -0.194 56.258 56.400 0.086 0.000 0.888 648 E CB 0.395 30.162 29.700 0.112 0.000 1.056 648 E HN 0.403 nan 8.360 nan 0.000 0.399 649 V N 1.396 121.366 119.914 0.093 0.000 3.621 649 V HA 0.511 4.636 4.120 0.009 0.000 0.263 649 V C 0.758 176.891 176.094 0.065 0.000 1.272 649 V CA 0.510 62.860 62.300 0.083 0.000 1.080 649 V CB 0.300 32.176 31.823 0.088 0.000 0.816 649 V HN 0.597 nan 8.190 nan 0.000 0.451 650 G N 0.576 109.431 108.800 0.091 0.000 2.510 650 G HA2 0.559 4.525 3.960 0.009 0.000 0.277 650 G HA3 0.559 4.525 3.960 0.009 0.000 0.277 650 G C -1.462 173.508 174.900 0.117 0.000 1.223 650 G CA -0.175 44.967 45.100 0.069 0.000 0.887 650 G HN 0.569 nan 8.290 nan 0.000 0.485 651 F N -1.587 118.319 119.950 -0.073 0.000 2.664 651 F HA 0.950 5.482 4.527 0.009 0.000 0.329 651 F C -1.276 174.551 175.800 0.045 0.000 1.090 651 F CA -1.597 56.306 58.000 -0.161 0.000 0.978 651 F CB 2.190 40.782 39.000 -0.681 0.000 1.378 651 F HN 0.717 nan 8.300 nan 0.000 0.495 652 L N 1.012 122.407 121.223 0.287 0.000 2.565 652 L HA 0.906 5.251 4.340 0.009 0.000 0.261 652 L C -0.652 176.461 176.870 0.405 0.000 0.932 652 L CA 0.124 55.128 54.840 0.273 0.000 0.878 652 L CB 1.690 43.842 42.059 0.155 0.000 1.333 652 L HN 1.297 nan 8.230 nan 0.000 0.409 653 G N 1.952 111.009 108.800 0.428 0.000 2.435 653 G HA2 0.760 4.726 3.960 0.009 0.000 0.296 653 G HA3 0.760 4.726 3.960 0.009 0.000 0.296 653 G C -1.528 173.635 174.900 0.439 0.000 1.240 653 G CA 0.107 45.497 45.100 0.482 0.000 0.872 653 G HN 1.036 nan 8.290 nan 0.000 0.480 654 A N -1.457 121.564 122.820 0.335 0.000 3.444 654 A HA 0.897 5.222 4.320 0.009 0.000 0.189 654 A C -1.022 176.625 177.584 0.105 0.000 1.542 654 A CA -0.430 51.699 52.037 0.152 0.000 0.867 654 A CB 0.737 19.762 19.000 0.043 0.000 1.712 654 A HN 1.303 nan 8.150 nan 0.000 0.556 655 L N -0.842 120.413 121.223 0.054 0.000 2.354 655 L HA 0.428 4.774 4.340 0.009 0.000 0.269 655 L C -0.825 176.155 176.870 0.185 0.000 1.005 655 L CA -0.624 54.268 54.840 0.087 0.000 0.819 655 L CB 1.442 43.515 42.059 0.023 0.000 1.311 655 L HN 0.742 nan 8.230 nan 0.000 0.423 656 H N 5.421 124.532 119.070 0.067 0.000 3.015 656 H HA 0.247 4.809 4.556 0.009 0.000 0.268 656 H C -1.821 173.526 175.328 0.032 0.000 1.113 656 H CA -2.041 54.043 56.048 0.060 0.000 1.479 656 H CB 0.715 30.489 29.762 0.021 0.000 1.493 656 H HN 0.327 nan 8.280 nan 0.000 0.486 657 P HA -0.243 nan 4.420 nan 0.000 0.219 657 P C 1.146 178.367 177.300 -0.132 0.000 1.147 657 P CA 1.318 64.422 63.100 0.006 0.000 0.821 657 P CB 0.438 32.187 31.700 0.081 0.000 0.771 658 E N -0.446 119.547 120.200 -0.345 0.000 2.023 658 E HA -0.169 4.187 4.350 0.009 0.000 0.196 658 E C 2.055 178.534 176.600 -0.203 0.000 1.003 658 E CA 1.334 57.534 56.400 -0.334 0.000 0.809 658 E CB -0.842 28.538 29.700 -0.533 0.000 0.755 658 E HN 0.358 nan 8.360 nan 0.000 0.449 659 I N 1.481 121.932 120.570 -0.198 0.000 2.226 659 I HA -0.231 3.945 4.170 0.009 0.000 0.245 659 I C 2.736 178.770 176.117 -0.139 0.000 1.100 659 I CA 1.097 62.285 61.300 -0.186 0.000 1.374 659 I CB -0.712 37.154 38.000 -0.222 0.000 1.057 659 I HN -0.038 nan 8.210 nan 0.000 0.413 660 A N 0.825 123.590 122.820 -0.091 0.000 1.884 660 A HA -0.302 4.024 4.320 0.009 0.000 0.219 660 A C 2.363 179.912 177.584 -0.059 0.000 1.197 660 A CA 2.135 54.137 52.037 -0.060 0.000 0.637 660 A CB -0.821 18.160 19.000 -0.032 0.000 0.827 660 A HN 0.546 nan 8.150 nan 0.000 0.450 661 Q N -1.539 118.223 119.800 -0.063 0.000 2.119 661 Q HA -0.185 4.161 4.340 0.009 0.000 0.201 661 Q C 2.097 178.062 176.000 -0.057 0.000 0.972 661 Q CA 1.417 57.189 55.803 -0.052 0.000 0.847 661 Q CB -0.097 28.609 28.738 -0.052 0.000 0.903 661 Q HN 0.808 nan 8.270 nan 0.000 0.433 662 E N 0.889 121.040 120.200 -0.081 0.000 2.153 662 E HA -0.135 4.221 4.350 0.009 0.000 0.194 662 E C 0.996 177.556 176.600 -0.066 0.000 0.988 662 E CA 0.995 57.347 56.400 -0.081 0.000 0.811 662 E CB 0.059 29.689 29.700 -0.118 0.000 0.746 662 E HN 0.278 nan 8.360 nan 0.000 0.466 663 L N 0.214 121.395 121.223 -0.071 0.000 2.965 663 L HA 0.228 4.574 4.340 0.009 0.000 0.254 663 L C 0.226 177.079 176.870 -0.029 0.000 1.220 663 L CA -0.041 54.772 54.840 -0.045 0.000 1.023 663 L CB 0.195 42.224 42.059 -0.050 0.000 1.355 663 L HN 0.007 nan 8.230 nan 0.000 0.545 664 E N -0.372 119.810 120.200 -0.029 0.000 3.760 664 E HA -0.230 4.125 4.350 0.009 0.000 0.317 664 E C 0.072 176.658 176.600 -0.022 0.000 0.730 664 E CA 1.246 57.635 56.400 -0.019 0.000 1.106 664 E CB -1.384 28.310 29.700 -0.011 0.000 1.574 664 E HN 0.418 nan 8.360 nan 0.000 0.451 665 L N -1.547 119.655 121.223 -0.035 0.000 2.352 665 L HA 0.718 5.063 4.340 0.009 0.000 0.269 665 L C -1.738 175.112 176.870 -0.033 0.000 1.034 665 L CA -1.913 52.898 54.840 -0.048 0.000 0.806 665 L CB -0.132 41.870 42.059 -0.095 0.000 1.244 665 L HN -0.308 nan 8.230 nan 0.000 0.447 666 P HA 0.349 nan 4.420 nan 0.000 0.312 666 P C -2.666 174.645 177.300 0.018 0.000 1.308 666 P CA -1.331 61.785 63.100 0.026 0.000 0.743 666 P CB -0.658 31.098 31.700 0.094 0.000 1.364 667 P HA 0.094 nan 4.420 nan 0.000 0.265 667 P C -0.530 176.778 177.300 0.013 0.000 1.193 667 P CA 0.500 63.589 63.100 -0.019 0.000 0.765 667 P CB 0.319 32.005 31.700 -0.024 0.000 0.823 668 V N 3.886 123.737 119.914 -0.105 0.000 3.007 668 V HA 0.376 4.502 4.120 0.009 0.000 0.311 668 V C -0.228 175.750 176.094 -0.192 0.000 1.120 668 V CA -0.643 61.642 62.300 -0.025 0.000 0.980 668 V CB 2.343 34.177 31.823 0.019 0.000 1.033 668 V HN 0.629 nan 8.190 nan 0.000 0.429 669 H N 4.088 123.258 119.070 0.166 0.000 2.600 669 H HA 0.812 5.373 4.556 0.009 0.000 0.357 669 H C -1.225 174.212 175.328 0.181 0.000 1.106 669 H CA -0.442 55.705 56.048 0.164 0.000 1.193 669 H CB 2.232 32.079 29.762 0.141 0.000 1.594 669 H HN 0.487 nan 8.280 nan 0.000 0.526 670 L N 0.540 121.939 121.223 0.293 0.000 2.630 670 L HA 0.693 5.038 4.340 0.009 0.000 0.258 670 L C -0.924 176.098 176.870 0.254 0.000 1.072 670 L CA -1.267 53.725 54.840 0.255 0.000 0.885 670 L CB 1.288 43.403 42.059 0.093 0.000 1.502 670 L HN 0.517 nan 8.230 nan 0.000 0.406 671 F N -2.230 117.626 119.950 -0.157 0.000 2.693 671 F HA 0.878 5.411 4.527 0.009 0.000 0.309 671 F C -1.036 174.381 175.800 -0.638 0.000 1.129 671 F CA -0.631 57.051 58.000 -0.531 0.000 0.948 671 F CB 2.106 40.941 39.000 -0.275 0.000 1.315 671 F HN 0.692 nan 8.300 nan 0.000 0.447 672 E N 3.128 122.609 120.200 -1.198 0.000 2.404 672 E HA 0.466 4.822 4.350 0.009 0.000 0.298 672 E C -1.931 174.365 176.600 -0.507 0.000 0.908 672 E CA -0.478 55.468 56.400 -0.757 0.000 0.808 672 E CB 1.321 30.795 29.700 -0.376 0.000 1.380 672 E HN 0.777 nan 8.360 nan 0.000 0.392 673 L N 2.340 123.393 121.223 -0.284 0.000 2.397 673 L HA 0.674 5.020 4.340 0.009 0.000 0.266 673 L C 0.271 176.966 176.870 -0.292 0.000 1.040 673 L CA -1.199 53.551 54.840 -0.151 0.000 0.800 673 L CB 1.314 43.411 42.059 0.063 0.000 1.324 673 L HN 0.472 nan 8.230 nan 0.000 0.469 674 R N 0.608 121.018 120.500 -0.150 0.000 2.686 674 R HA 0.686 5.032 4.340 0.009 0.000 0.286 674 R C -1.650 174.676 176.300 0.044 0.000 0.969 674 R CA -0.589 55.454 56.100 -0.095 0.000 0.898 674 R CB 1.819 32.096 30.300 -0.040 0.000 1.183 674 R HN 0.540 nan 8.270 nan 0.000 0.456 675 L N 4.197 125.475 121.223 0.092 0.000 2.322 675 L HA 0.635 4.981 4.340 0.009 0.000 0.269 675 L C -1.919 174.990 176.870 0.065 0.000 1.012 675 L CA -2.206 52.676 54.840 0.070 0.000 0.815 675 L CB 1.886 43.977 42.059 0.054 0.000 1.295 675 L HN 0.551 nan 8.230 nan 0.000 0.438 676 P HA 0.319 nan 4.420 nan 0.000 0.279 676 P C -0.851 176.488 177.300 0.065 0.000 1.252 676 P CA -0.485 62.646 63.100 0.052 0.000 0.811 676 P CB 1.183 32.909 31.700 0.043 0.000 1.035 677 L N 1.863 123.129 121.223 0.071 0.000 2.490 677 L HA 0.452 4.797 4.340 0.009 0.000 0.245 677 L C -1.560 175.360 176.870 0.083 0.000 1.185 677 L CA -2.023 52.877 54.840 0.101 0.000 0.813 677 L CB -0.063 42.081 42.059 0.142 0.000 1.233 677 L HN 0.314 nan 8.230 nan 0.000 0.489 678 P HA 0.216 nan 4.420 nan 0.000 0.279 678 P C -1.917 175.423 177.300 0.066 0.000 1.276 678 P CA -0.434 62.711 63.100 0.076 0.000 0.801 678 P CB 0.691 32.441 31.700 0.083 0.000 1.127 679 D N -1.454 118.977 120.400 0.053 0.000 2.696 679 D HA 0.325 4.971 4.640 0.009 0.000 0.251 679 D C -0.504 175.823 176.300 0.045 0.000 1.188 679 D CA -0.751 53.274 54.000 0.042 0.000 0.876 679 D CB 1.583 42.399 40.800 0.028 0.000 1.334 679 D HN 0.020 nan 8.370 nan 0.000 0.540 680 K N 2.923 123.352 120.400 0.048 0.000 2.240 680 K HA 0.375 4.700 4.320 0.009 0.000 0.271 680 K C -2.317 174.308 176.600 0.041 0.000 1.018 680 K CA -1.674 54.642 56.287 0.049 0.000 0.874 680 K CB 1.173 33.709 32.500 0.059 0.000 1.098 680 K HN 0.502 nan 8.250 nan 0.000 0.458 681 P HA 0.040 nan 4.420 nan 0.000 0.274 681 P C -0.065 177.263 177.300 0.046 0.000 1.231 681 P CA -0.739 62.383 63.100 0.037 0.000 0.790 681 P CB 0.665 32.386 31.700 0.035 0.000 0.951 682 L N 1.861 123.112 121.223 0.046 0.000 2.660 682 L HA 0.042 4.388 4.340 0.009 0.000 0.272 682 L C 0.001 176.926 176.870 0.092 0.000 1.194 682 L CA 0.455 55.334 54.840 0.065 0.000 0.945 682 L CB -0.659 41.429 42.059 0.049 0.000 1.212 682 L HN 0.525 nan 8.230 nan 0.000 0.490 683 A N 7.032 129.915 122.820 0.105 0.000 2.540 683 A HA 0.254 4.579 4.320 0.009 0.000 0.340 683 A C -0.514 177.165 177.584 0.157 0.000 1.424 683 A CA -0.585 51.512 52.037 0.100 0.000 0.940 683 A CB -0.146 18.890 19.000 0.061 0.000 1.149 683 A HN 0.585 nan 8.150 nan 0.000 0.505 684 F N 3.507 123.462 119.950 0.009 0.000 2.468 684 F HA 0.254 4.787 4.527 0.009 0.000 0.356 684 F C 0.117 175.921 175.800 0.007 0.000 1.167 684 F CA -0.569 57.435 58.000 0.007 0.000 1.135 684 F CB 0.561 39.564 39.000 0.006 0.000 1.197 684 F HN 0.523 nan 8.300 nan 0.000 0.569 685 Q N 4.352 123.868 119.800 -0.474 0.000 2.296 685 Q HA 0.170 4.515 4.340 0.009 0.000 0.257 685 Q C -0.612 174.910 176.000 -0.797 0.000 0.942 685 Q CA -0.501 55.019 55.803 -0.471 0.000 0.939 685 Q CB 1.307 29.927 28.738 -0.197 0.000 1.198 685 Q HN 0.527 nan 8.270 nan 0.000 0.429 686 D N 3.417 123.407 120.400 -0.683 0.000 2.304 686 D HA 0.363 5.008 4.640 0.009 0.000 0.250 686 D C -2.105 174.057 176.300 -0.231 0.000 1.107 686 D CA -1.362 52.328 54.000 -0.516 0.000 0.885 686 D CB 1.013 41.621 40.800 -0.321 0.000 1.192 686 D HN 0.223 nan 8.370 nan 0.000 0.436 687 P HA 0.292 nan 4.420 nan 0.000 0.282 687 P C -0.762 176.523 177.300 -0.024 0.000 1.259 687 P CA -0.745 62.323 63.100 -0.053 0.000 0.826 687 P CB 0.869 32.565 31.700 -0.007 0.000 1.064 688 S N 0.520 116.213 115.700 -0.012 0.000 2.645 688 S HA 0.333 4.809 4.470 0.009 0.000 0.266 688 S C 0.821 175.464 174.600 0.071 0.000 1.258 688 S CA -0.494 57.726 58.200 0.033 0.000 0.990 688 S CB 1.199 64.415 63.200 0.026 0.000 0.967 688 S HN 0.340 nan 8.310 nan 0.000 0.556 689 R N -0.728 119.858 120.500 0.143 0.000 2.225 689 R HA 0.199 4.545 4.340 0.009 0.000 0.194 689 R C 0.213 176.514 176.300 0.000 0.000 0.957 689 R CA 0.177 56.314 56.100 0.061 0.000 1.042 689 R CB -0.094 30.213 30.300 0.012 0.000 1.004 689 R HN 0.689 nan 8.270 nan 0.000 0.509 690 H N 2.868 121.937 119.070 -0.002 0.000 2.764 690 H HA 0.098 4.660 4.556 0.009 0.000 0.341 690 H C -1.829 173.501 175.328 0.003 0.000 1.072 690 H CA -1.725 54.323 56.048 -0.001 0.000 1.444 690 H CB 0.419 30.176 29.762 -0.008 0.000 1.458 690 H HN 0.063 nan 8.280 nan 0.000 0.572 691 P HA -0.028 nan 4.420 nan 0.000 0.273 691 P C -0.630 176.704 177.300 0.056 0.000 1.248 691 P CA -0.186 62.957 63.100 0.071 0.000 0.817 691 P CB 0.711 32.457 31.700 0.077 0.000 0.995 692 A N -0.589 122.242 122.820 0.019 0.000 2.380 692 A HA 0.653 4.978 4.320 0.009 0.000 0.315 692 A C -0.400 177.143 177.584 -0.067 0.000 1.101 692 A CA -0.586 51.410 52.037 -0.068 0.000 0.771 692 A CB 1.285 20.147 19.000 -0.230 0.000 1.287 692 A HN 0.547 nan 8.150 nan 0.000 0.436 693 A N 0.856 123.677 122.820 0.002 0.000 2.376 693 A HA 0.564 4.889 4.320 0.009 0.000 0.298 693 A C -0.787 176.832 177.584 0.058 0.000 1.271 693 A CA -0.146 51.952 52.037 0.101 0.000 0.926 693 A CB -0.844 18.264 19.000 0.181 0.000 1.141 693 A HN 0.642 nan 8.150 nan 0.000 0.539 694 F N 3.501 123.536 119.950 0.140 0.000 2.605 694 F HA 0.217 4.750 4.527 0.010 0.000 0.352 694 F C 1.205 177.094 175.800 0.148 0.000 1.236 694 F CA 0.267 58.337 58.000 0.117 0.000 1.267 694 F CB 0.191 39.219 39.000 0.047 0.000 1.632 694 F HN 0.596 nan 8.300 nan 0.000 0.639 695 R N 0.491 121.197 120.500 0.344 0.000 2.606 695 R HA 0.519 4.865 4.340 0.009 0.000 0.249 695 R C -0.842 175.644 176.300 0.311 0.000 1.127 695 R CA -0.948 55.332 56.100 0.301 0.000 1.133 695 R CB 0.929 31.380 30.300 0.251 0.000 1.243 695 R HN 0.252 nan 8.270 nan 0.000 0.558 696 D N -0.373 120.185 120.400 0.263 0.000 2.648 696 D HA 0.435 5.081 4.640 0.009 0.000 0.244 696 D C -1.741 174.703 176.300 0.240 0.000 1.244 696 D CA -0.413 53.749 54.000 0.270 0.000 0.772 696 D CB 1.766 42.708 40.800 0.237 0.000 1.379 696 D HN 0.281 nan 8.370 nan 0.000 0.428 697 L N -1.324 120.065 121.223 0.277 0.000 3.041 697 L HA 0.990 5.335 4.340 0.009 0.000 0.278 697 L C -1.795 175.200 176.870 0.210 0.000 1.051 697 L CA -0.964 54.002 54.840 0.210 0.000 0.957 697 L CB 0.942 43.100 42.059 0.164 0.000 1.538 697 L HN 0.419 nan 8.230 nan 0.000 0.393 698 A N -0.060 122.839 122.820 0.132 0.000 2.515 698 A HA 0.944 5.270 4.320 0.009 0.000 0.298 698 A C -1.401 176.223 177.584 0.066 0.000 1.059 698 A CA -0.619 51.479 52.037 0.101 0.000 0.698 698 A CB 2.000 21.025 19.000 0.043 0.000 1.289 698 A HN 1.083 nan 8.150 nan 0.000 0.404 699 V N 2.041 121.983 119.914 0.047 0.000 2.656 699 V HA 0.428 4.553 4.120 0.009 0.000 0.307 699 V C 1.310 177.401 176.094 -0.004 0.000 1.051 699 V CA -0.080 62.218 62.300 -0.004 0.000 0.893 699 V CB 1.379 33.141 31.823 -0.103 0.000 0.999 699 V HN 1.211 nan 8.190 nan 0.000 0.426 700 V N 2.683 122.612 119.914 0.026 0.000 2.379 700 V HA 0.003 4.128 4.120 0.009 0.000 0.245 700 V C 1.251 177.408 176.094 0.105 0.000 1.044 700 V CA 0.922 63.263 62.300 0.067 0.000 1.036 700 V CB -0.727 31.130 31.823 0.057 0.000 0.664 700 V HN 1.779 nan 8.190 nan 0.000 0.453 701 V N -1.696 118.257 119.914 0.064 0.000 3.738 701 V HA -0.129 3.997 4.120 0.009 0.000 0.430 701 V C -1.940 174.201 176.094 0.078 0.000 1.624 701 V CA -0.482 61.820 62.300 0.005 0.000 2.032 701 V CB -1.656 29.741 31.823 -0.710 0.000 1.891 701 V HN 0.685 nan 8.190 nan 0.000 0.493 702 P HA 0.083 nan 4.420 nan 0.000 0.261 702 P C 1.058 178.302 177.300 -0.093 0.000 1.165 702 P CA 1.120 64.132 63.100 -0.148 0.000 0.759 702 P CB 0.645 32.326 31.700 -0.032 0.000 0.772 703 A N 7.575 130.309 122.820 -0.143 0.000 1.879 703 A HA -0.177 4.149 4.320 0.009 0.000 0.222 703 A C -0.723 176.841 177.584 -0.032 0.000 1.368 703 A CA 1.956 53.949 52.037 -0.073 0.000 0.707 703 A CB -2.708 16.247 19.000 -0.075 0.000 0.846 703 A HN 0.572 nan 8.150 nan 0.000 0.468 704 P HA 0.194 nan 4.420 nan 0.000 0.230 704 P C -0.417 176.893 177.300 0.016 0.000 1.791 704 P CA 0.558 63.655 63.100 -0.004 0.000 1.020 704 P CB -0.132 31.562 31.700 -0.010 0.000 1.977 705 T N 2.015 116.585 114.554 0.027 0.000 2.916 705 T HA 0.671 5.027 4.350 0.009 0.000 0.292 705 T C -2.816 171.917 174.700 0.054 0.000 1.064 705 T CA -2.224 59.908 62.100 0.054 0.000 1.011 705 T CB 1.727 70.635 68.868 0.066 0.000 1.152 705 T HN 0.074 nan 8.240 nan 0.000 0.510 706 P HA 0.304 nan 4.420 nan 0.000 0.289 706 P C -0.323 177.042 177.300 0.109 0.000 1.293 706 P CA -0.627 62.527 63.100 0.091 0.000 0.897 706 P CB 1.452 33.196 31.700 0.073 0.000 1.166 707 Y N 2.208 122.537 120.300 0.048 0.000 2.109 707 Y HA -0.010 4.547 4.550 0.012 0.000 0.285 707 Y C 2.436 178.380 175.900 0.074 0.000 1.131 707 Y CA 2.495 60.635 58.100 0.067 0.000 1.121 707 Y CB -1.314 37.199 38.460 0.088 0.000 0.987 707 Y HN 0.478 nan 8.280 nan 0.000 0.495 708 G N -0.447 108.248 108.800 -0.175 0.000 2.591 708 G HA2 -0.317 3.649 3.960 0.009 0.000 0.218 708 G HA3 -0.317 3.649 3.960 0.009 0.000 0.218 708 G C 1.395 176.191 174.900 -0.173 0.000 1.113 708 G CA 1.203 46.157 45.100 -0.242 0.000 0.740 708 G HN 0.470 nan 8.290 nan 0.000 0.569 709 E N -0.173 119.961 120.200 -0.111 0.000 2.045 709 E HA 0.002 4.358 4.350 0.009 0.000 0.190 709 E C 2.759 179.322 176.600 -0.060 0.000 0.968 709 E CA 0.730 57.109 56.400 -0.035 0.000 0.813 709 E CB -0.298 29.428 29.700 0.044 0.000 0.780 709 E HN 0.133 nan 8.360 nan 0.000 0.455 710 V N 1.654 121.487 119.914 -0.135 0.000 2.255 710 V HA -0.308 3.818 4.120 0.009 0.000 0.247 710 V C 2.483 178.416 176.094 -0.267 0.000 1.051 710 V CA 2.446 64.609 62.300 -0.228 0.000 1.018 710 V CB -1.065 30.576 31.823 -0.304 0.000 0.641 710 V HN 0.483 nan 8.190 nan 0.000 0.445 711 E N 1.490 121.488 120.200 -0.337 0.000 2.130 711 E HA -0.246 4.110 4.350 0.009 0.000 0.196 711 E C 2.002 178.498 176.600 -0.174 0.000 0.998 711 E CA 1.885 58.104 56.400 -0.301 0.000 0.806 711 E CB -0.406 29.000 29.700 -0.489 0.000 0.738 711 E HN 0.547 nan 8.360 nan 0.000 0.459 712 A N 0.288 123.022 122.820 -0.143 0.000 1.929 712 A HA -0.013 4.313 4.320 0.009 0.000 0.216 712 A C 2.088 179.640 177.584 -0.053 0.000 1.176 712 A CA 0.943 52.934 52.037 -0.076 0.000 0.628 712 A CB -0.428 18.537 19.000 -0.057 0.000 0.816 712 A HN 0.300 nan 8.150 nan 0.000 0.444 713 L N -0.550 120.642 121.223 -0.051 0.000 1.988 713 L HA -0.126 4.220 4.340 0.009 0.000 0.207 713 L C 2.595 179.440 176.870 -0.041 0.000 1.071 713 L CA 1.533 56.361 54.840 -0.019 0.000 0.744 713 L CB -0.650 41.432 42.059 0.039 0.000 0.893 713 L HN 0.200 nan 8.230 nan 0.000 0.433 714 V N -0.359 119.493 119.914 -0.103 0.000 2.231 714 V HA -0.406 3.720 4.120 0.009 0.000 0.250 714 V C 2.697 178.766 176.094 -0.042 0.000 1.058 714 V CA 2.096 64.326 62.300 -0.116 0.000 1.022 714 V CB -0.681 30.973 31.823 -0.282 0.000 0.640 714 V HN 0.424 nan 8.190 nan 0.000 0.445 715 R N 0.081 120.556 120.500 -0.042 0.000 2.105 715 R HA -0.219 4.127 4.340 0.009 0.000 0.239 715 R C 2.187 178.488 176.300 0.001 0.000 1.135 715 R CA 1.939 58.034 56.100 -0.009 0.000 0.967 715 R CB -0.213 30.083 30.300 -0.007 0.000 0.861 715 R HN 0.840 nan 8.270 nan 0.000 0.442 716 E N -0.888 119.309 120.200 -0.005 0.000 2.478 716 E HA 0.067 4.422 4.350 0.009 0.000 0.194 716 E C 1.207 177.809 176.600 0.003 0.000 1.045 716 E CA 0.729 57.127 56.400 -0.002 0.000 0.868 716 E CB 0.264 29.960 29.700 -0.007 0.000 0.885 716 E HN 0.218 nan 8.360 nan 0.000 0.505 717 A N 1.140 123.967 122.820 0.011 0.000 2.115 717 A HA 0.482 4.807 4.320 0.009 0.000 0.211 717 A C 2.291 179.902 177.584 0.046 0.000 1.169 717 A CA 0.553 52.601 52.037 0.018 0.000 0.787 717 A CB -0.239 18.770 19.000 0.015 0.000 0.858 717 A HN 0.305 nan 8.150 nan 0.000 0.474 718 A N -0.683 122.185 122.820 0.080 0.000 2.121 718 A HA 0.403 4.729 4.320 0.009 0.000 0.218 718 A C 1.691 179.378 177.584 0.172 0.000 1.154 718 A CA 1.582 53.732 52.037 0.189 0.000 0.679 718 A CB -1.059 18.049 19.000 0.179 0.000 0.795 718 A HN 2.045 nan 8.150 nan 0.000 0.458 719 G N -0.968 107.868 108.800 0.059 0.000 2.632 719 G HA2 -0.190 3.775 3.960 0.009 0.000 0.224 719 G HA3 -0.190 3.775 3.960 0.009 0.000 0.224 719 G C -0.887 174.001 174.900 -0.021 0.000 1.341 719 G CA -0.009 45.085 45.100 -0.010 0.000 0.880 719 G HN 0.331 nan 8.290 nan 0.000 0.566 720 P HA 0.032 nan 4.420 nan 0.000 0.219 720 P C 1.044 178.383 177.300 0.064 0.000 1.154 720 P CA 1.453 64.498 63.100 -0.092 0.000 0.826 720 P CB 0.004 31.577 31.700 -0.210 0.000 0.795 721 Y N 0.027 120.380 120.300 0.088 0.000 2.519 721 Y HA 0.188 4.744 4.550 0.009 0.000 0.311 721 Y C 1.384 177.363 175.900 0.132 0.000 1.207 721 Y CA -1.393 56.780 58.100 0.122 0.000 1.289 721 Y CB -1.614 36.961 38.460 0.192 0.000 1.059 721 Y HN -0.042 nan 8.280 nan 0.000 0.507 722 L N 0.049 121.351 121.223 0.133 0.000 2.436 722 L HA 0.186 4.532 4.340 0.009 0.000 0.265 722 L C 1.003 177.764 176.870 -0.181 0.000 1.168 722 L CA 0.317 54.992 54.840 -0.276 0.000 0.815 722 L CB 0.896 42.820 42.059 -0.225 0.000 1.109 722 L HN 0.161 nan 8.230 nan 0.000 0.462 723 E N 0.719 120.751 120.200 -0.279 0.000 2.625 723 E HA 0.211 4.566 4.350 0.009 0.000 0.185 723 E C 0.082 176.612 176.600 -0.117 0.000 1.085 723 E CA -0.069 56.239 56.400 -0.154 0.000 1.137 723 E CB 0.837 30.440 29.700 -0.161 0.000 1.687 723 E HN 0.774 nan 8.360 nan 0.000 0.512 724 S N -0.202 115.418 115.700 -0.134 0.000 2.666 724 S HA 0.572 5.047 4.470 0.009 0.000 0.279 724 S C -0.907 173.671 174.600 -0.037 0.000 1.149 724 S CA -0.493 57.674 58.200 -0.054 0.000 1.020 724 S CB 1.348 64.528 63.200 -0.034 0.000 1.127 724 S HN 0.278 nan 8.310 nan 0.000 0.537 725 L N 0.671 121.930 121.223 0.060 0.000 4.058 725 L HA 0.527 4.872 4.340 0.009 0.000 0.252 725 L C -1.516 175.489 176.870 0.226 0.000 1.030 725 L CA 0.228 55.169 54.840 0.169 0.000 1.351 725 L CB -0.103 42.055 42.059 0.164 0.000 1.996 725 L HN 0.701 nan 8.230 nan 0.000 0.692 726 A N 3.879 126.827 122.820 0.213 0.000 2.393 726 A HA 0.789 5.115 4.320 0.009 0.000 0.306 726 A C -1.408 176.120 177.584 -0.093 0.000 1.050 726 A CA -0.620 51.479 52.037 0.103 0.000 0.724 726 A CB 1.621 20.690 19.000 0.114 0.000 1.248 726 A HN 0.901 nan 8.150 nan 0.000 0.424 727 L N 3.131 124.132 121.223 -0.369 0.000 2.410 727 L HA 0.537 4.882 4.340 0.009 0.000 0.273 727 L C 0.089 176.825 176.870 -0.224 0.000 1.152 727 L CA 0.536 54.953 54.840 -0.705 0.000 0.855 727 L CB -0.167 41.470 42.059 -0.703 0.000 1.129 727 L HN 0.754 nan 8.230 nan 0.000 0.463 728 F N 0.509 120.245 119.950 -0.357 0.000 2.798 728 F HA 0.568 5.100 4.527 0.008 0.000 0.328 728 F C -0.420 175.277 175.800 -0.173 0.000 1.098 728 F CA -0.706 57.181 58.000 -0.188 0.000 1.172 728 F CB 0.372 39.336 39.000 -0.060 0.000 1.072 728 F HN 0.409 nan 8.300 nan 0.000 0.555 729 D N 1.480 121.475 120.400 -0.674 0.000 2.795 729 D HA 0.349 4.995 4.640 0.009 0.000 0.206 729 D C -1.961 174.124 176.300 -0.359 0.000 1.278 729 D CA -0.213 53.506 54.000 -0.469 0.000 0.839 729 D CB 2.500 42.994 40.800 -0.510 0.000 1.700 729 D HN 0.210 nan 8.370 nan 0.000 0.549 730 L N 3.472 124.575 121.223 -0.201 0.000 2.334 730 L HA 0.763 5.108 4.340 0.009 0.000 0.273 730 L C -1.878 175.022 176.870 0.051 0.000 1.013 730 L CA -0.537 54.242 54.840 -0.102 0.000 0.816 730 L CB 1.521 43.504 42.059 -0.126 0.000 1.278 730 L HN 0.380 nan 8.230 nan 0.000 0.431 731 Y N 3.003 123.246 120.300 -0.094 0.000 2.386 731 Y HA 0.566 5.120 4.550 0.006 0.000 0.334 731 Y C -1.187 174.696 175.900 -0.028 0.000 1.002 731 Y CA -0.819 57.245 58.100 -0.061 0.000 1.068 731 Y CB 1.723 40.148 38.460 -0.058 0.000 1.203 731 Y HN 0.691 nan 8.280 nan 0.000 0.443 732 Q N 3.553 123.019 119.800 -0.557 0.000 2.381 732 Q HA 0.692 5.037 4.340 0.009 0.000 0.263 732 Q C -0.229 175.359 176.000 -0.686 0.000 1.030 732 Q CA 0.350 55.863 55.803 -0.484 0.000 0.772 732 Q CB 1.290 29.912 28.738 -0.194 0.000 1.232 732 Q HN 1.058 nan 8.270 nan 0.000 0.476 733 G N 3.376 111.808 108.800 -0.614 0.000 2.316 733 G HA2 -0.004 3.961 3.960 0.009 0.000 0.349 733 G HA3 -0.004 3.961 3.960 0.009 0.000 0.349 733 G C -3.080 171.664 174.900 -0.260 0.000 1.274 733 G CA -0.614 44.261 45.100 -0.376 0.000 1.018 733 G HN 0.499 nan 8.290 nan 0.000 0.486 734 P HA 0.441 nan 4.420 nan 0.000 0.285 734 P C -2.283 175.154 177.300 0.228 0.000 1.269 734 P CA -1.259 61.885 63.100 0.072 0.000 0.844 734 P CB 1.188 32.917 31.700 0.048 0.000 1.094 735 P HA 0.081 nan 4.420 nan 0.000 0.261 735 P C -0.087 177.262 177.300 0.081 0.000 1.288 735 P CA 0.801 63.967 63.100 0.111 0.000 0.751 735 P CB -0.144 31.607 31.700 0.084 0.000 1.103 736 L N 1.646 122.914 121.223 0.074 0.000 2.292 736 L HA 0.257 4.603 4.340 0.009 0.000 0.284 736 L C -1.470 175.379 176.870 -0.035 0.000 1.065 736 L CA -2.323 52.517 54.840 -0.000 0.000 0.806 736 L CB 0.873 42.917 42.059 -0.025 0.000 1.175 736 L HN -0.165 nan 8.230 nan 0.000 0.431 737 P HA -0.106 nan 4.420 nan 0.000 0.213 737 P C -0.123 177.193 177.300 0.027 0.000 1.492 737 P CA 0.074 63.124 63.100 -0.084 0.000 1.034 737 P CB -0.501 31.079 31.700 -0.201 0.000 1.816 738 E N 2.156 122.388 120.200 0.053 0.000 1.261 738 E HA -0.133 4.223 4.350 0.009 0.000 0.369 738 E C 0.829 177.538 176.600 0.183 0.000 0.935 738 E CA 1.476 57.926 56.400 0.084 0.000 1.379 738 E CB -1.400 28.329 29.700 0.048 0.000 0.294 738 E HN 0.659 nan 8.360 nan 0.000 0.367 739 G N 3.041 111.903 108.800 0.103 0.000 2.165 739 G HA2 -0.217 3.748 3.960 0.009 0.000 0.226 739 G HA3 -0.217 3.748 3.960 0.009 0.000 0.226 739 G C -0.332 174.497 174.900 -0.117 0.000 1.035 739 G CA 0.173 45.278 45.100 0.007 0.000 0.744 739 G HN 0.931 nan 8.290 nan 0.000 0.501 740 H N -0.598 118.443 119.070 -0.047 0.000 2.941 740 H HA 0.770 5.331 4.556 0.008 0.000 0.344 740 H C 0.010 175.290 175.328 -0.081 0.000 1.235 740 H CA -0.521 55.505 56.048 -0.037 0.000 1.149 740 H CB 1.427 31.181 29.762 -0.015 0.000 1.885 740 H HN 0.331 nan 8.280 nan 0.000 0.558 741 K N 0.014 120.454 120.400 0.068 0.000 2.637 741 K HA 0.464 4.789 4.320 0.009 0.000 0.248 741 K C -1.077 175.534 176.600 0.019 0.000 0.971 741 K CA -0.710 55.571 56.287 -0.010 0.000 0.858 741 K CB 2.136 34.620 32.500 -0.027 0.000 1.170 741 K HN 0.363 nan 8.250 nan 0.000 0.443 742 S N 4.977 120.704 115.700 0.046 0.000 2.422 742 S HA 0.251 4.727 4.470 0.009 0.000 0.283 742 S C 0.054 174.680 174.600 0.043 0.000 1.163 742 S CA -0.760 57.483 58.200 0.072 0.000 1.054 742 S CB -0.181 63.099 63.200 0.135 0.000 0.967 742 S HN 0.515 nan 8.310 nan 0.000 0.499 743 L N 4.831 126.086 121.223 0.054 0.000 2.255 743 L HA 0.536 4.882 4.340 0.009 0.000 0.289 743 L C 0.505 177.464 176.870 0.149 0.000 1.046 743 L CA -0.739 54.165 54.840 0.106 0.000 0.816 743 L CB 0.803 43.053 42.059 0.318 0.000 1.197 743 L HN 0.623 nan 8.230 nan 0.000 0.427 744 A N 4.364 127.062 122.820 -0.203 0.000 2.328 744 A HA 0.689 5.015 4.320 0.009 0.000 0.284 744 A C -0.875 176.432 177.584 -0.461 0.000 1.160 744 A CA -0.129 51.643 52.037 -0.442 0.000 0.818 744 A CB 0.096 18.409 19.000 -1.145 0.000 1.087 744 A HN 0.577 nan 8.150 nan 0.000 0.504 745 F N 2.201 122.194 119.950 0.070 0.000 2.460 745 F HA 0.281 4.815 4.527 0.010 0.000 0.341 745 F C 0.375 176.458 175.800 0.471 0.000 1.130 745 F CA -0.370 57.835 58.000 0.341 0.000 0.962 745 F CB 1.581 40.697 39.000 0.194 0.000 1.171 745 F HN 0.549 nan 8.300 nan 0.000 0.436 746 H N 5.035 124.392 119.070 0.478 0.000 2.800 746 H HA 0.307 4.868 4.556 0.009 0.000 0.291 746 H C -0.175 175.256 175.328 0.172 0.000 1.076 746 H CA 0.061 56.167 56.048 0.098 0.000 1.452 746 H CB 1.075 30.731 29.762 -0.177 0.000 1.461 746 H HN 0.478 nan 8.280 nan 0.000 0.488 747 L N 3.233 124.637 121.223 0.303 0.000 2.635 747 L HA 0.525 4.870 4.340 0.009 0.000 0.250 747 L C 0.257 177.106 176.870 -0.034 0.000 1.117 747 L CA -0.470 54.449 54.840 0.132 0.000 0.834 747 L CB 0.693 42.885 42.059 0.221 0.000 1.544 747 L HN 0.553 nan 8.230 nan 0.000 0.511 748 R N -0.131 120.135 120.500 -0.390 0.000 4.200 748 R HA 0.348 4.694 4.340 0.009 0.000 0.288 748 R C -2.069 173.813 176.300 -0.697 0.000 1.035 748 R CA -0.252 55.570 56.100 -0.464 0.000 1.305 748 R CB 0.289 30.359 30.300 -0.384 0.000 1.269 748 R HN 0.290 nan 8.270 nan 0.000 0.508 749 F N 2.439 122.322 119.950 -0.111 0.000 2.492 749 F HA 0.688 5.221 4.527 0.009 0.000 0.327 749 F C 0.367 176.134 175.800 -0.055 0.000 1.079 749 F CA -0.746 57.240 58.000 -0.023 0.000 0.967 749 F CB 2.050 41.079 39.000 0.049 0.000 1.169 749 F HN 0.266 nan 8.300 nan 0.000 0.472 750 R N 0.700 121.279 120.500 0.130 0.000 2.561 750 R HA 0.297 4.643 4.340 0.009 0.000 0.266 750 R C -2.054 174.199 176.300 -0.079 0.000 1.091 750 R CA -0.902 55.212 56.100 0.024 0.000 0.927 750 R CB 1.520 31.798 30.300 -0.037 0.000 1.240 750 R HN 0.872 nan 8.270 nan 0.000 0.449 751 H N 4.304 123.215 119.070 -0.265 0.000 2.467 751 H HA 0.353 4.915 4.556 0.009 0.000 0.326 751 H C -1.764 173.360 175.328 -0.340 0.000 1.094 751 H CA -1.946 53.768 56.048 -0.557 0.000 1.253 751 H CB 1.703 31.135 29.762 -0.550 0.000 1.439 751 H HN 0.298 nan 8.280 nan 0.000 0.479 752 P HA 0.096 nan 4.420 nan 0.000 0.243 752 P C -0.290 176.946 177.300 -0.107 0.000 1.668 752 P CA 0.345 63.310 63.100 -0.226 0.000 0.898 752 P CB 0.277 31.834 31.700 -0.239 0.000 1.637 753 K N 0.335 120.767 120.400 0.053 0.000 2.482 753 K HA 0.190 4.516 4.320 0.009 0.000 0.303 753 K C 0.084 176.493 176.600 -0.318 0.000 2.010 753 K CA -0.113 56.175 56.287 0.001 0.000 1.065 753 K CB 0.170 32.762 32.500 0.153 0.000 3.203 753 K HN -0.138 nan 8.250 nan 0.000 0.903 754 R N 0.595 120.881 120.500 -0.356 0.000 2.571 754 R HA 0.503 4.849 4.340 0.009 0.000 0.259 754 R C 0.033 176.058 176.300 -0.458 0.000 1.226 754 R CA -0.350 55.429 56.100 -0.534 0.000 1.157 754 R CB -0.210 29.842 30.300 -0.413 0.000 1.220 754 R HN 0.275 nan 8.270 nan 0.000 0.605 755 T N 0.034 114.430 114.554 -0.263 0.000 2.900 755 T HA 0.323 4.679 4.350 0.009 0.000 0.326 755 T C 0.210 174.825 174.700 -0.142 0.000 1.145 755 T CA -0.569 61.471 62.100 -0.099 0.000 0.963 755 T CB 0.251 69.137 68.868 0.030 0.000 1.512 755 T HN 0.247 nan 8.240 nan 0.000 0.552 756 L N 1.177 122.376 121.223 -0.041 0.000 2.316 756 L HA 0.454 4.800 4.340 0.009 0.000 0.280 756 L C 1.007 177.869 176.870 -0.013 0.000 1.006 756 L CA -0.598 54.233 54.840 -0.016 0.000 0.836 756 L CB 1.272 43.362 42.059 0.051 0.000 1.221 756 L HN 0.483 nan 8.230 nan 0.000 0.418 757 R N 1.434 121.918 120.500 -0.027 0.000 2.500 757 R HA -0.142 4.204 4.340 0.009 0.000 0.212 757 R C 0.647 176.940 176.300 -0.011 0.000 1.330 757 R CA 0.468 56.557 56.100 -0.019 0.000 1.262 757 R CB -0.560 29.725 30.300 -0.025 0.000 0.998 757 R HN 0.801 nan 8.270 nan 0.000 0.484 758 D N 0.282 120.677 120.400 -0.008 0.000 4.331 758 D HA -0.344 4.301 4.640 0.009 0.000 0.234 758 D C 0.850 177.130 176.300 -0.032 0.000 1.221 758 D CA 2.416 56.408 54.000 -0.014 0.000 2.279 758 D CB -0.831 39.969 40.800 0.001 0.000 1.210 758 D HN 0.303 nan 8.370 nan 0.000 0.417 759 E N 0.562 120.748 120.200 -0.023 0.000 2.273 759 E HA -0.140 4.215 4.350 0.009 0.000 0.198 759 E C 1.860 178.436 176.600 -0.040 0.000 1.002 759 E CA 1.569 57.953 56.400 -0.027 0.000 0.828 759 E CB -0.109 29.581 29.700 -0.018 0.000 0.747 759 E HN 0.641 nan 8.360 nan 0.000 0.491 760 E N -0.514 119.662 120.200 -0.039 0.000 2.112 760 E HA -0.079 4.276 4.350 0.009 0.000 0.190 760 E C 1.953 178.485 176.600 -0.113 0.000 0.979 760 E CA 0.896 57.271 56.400 -0.042 0.000 0.814 760 E CB 0.122 29.828 29.700 0.009 0.000 0.762 760 E HN 0.098 nan 8.360 nan 0.000 0.460 761 V N 1.498 121.314 119.914 -0.164 0.000 2.427 761 V HA -0.210 3.916 4.120 0.009 0.000 0.248 761 V C 2.274 178.188 176.094 -0.301 0.000 1.051 761 V CA 1.673 63.746 62.300 -0.377 0.000 1.048 761 V CB -0.358 31.266 31.823 -0.332 0.000 0.666 761 V HN 0.157 nan 8.190 nan 0.000 0.456 762 E N 1.207 121.314 120.200 -0.154 0.000 2.023 762 E HA -0.259 4.097 4.350 0.009 0.000 0.196 762 E C 2.333 178.879 176.600 -0.090 0.000 1.003 762 E CA 1.953 58.294 56.400 -0.098 0.000 0.809 762 E CB -0.481 29.187 29.700 -0.053 0.000 0.755 762 E HN 0.743 nan 8.360 nan 0.000 0.449 763 E N 0.084 120.237 120.200 -0.078 0.000 2.267 763 E HA -0.204 4.152 4.350 0.009 0.000 0.197 763 E C 1.782 178.337 176.600 -0.075 0.000 0.998 763 E CA 1.226 57.590 56.400 -0.060 0.000 0.830 763 E CB -0.156 29.516 29.700 -0.047 0.000 0.751 763 E HN 0.238 nan 8.360 nan 0.000 0.491 764 A N 1.377 124.120 122.820 -0.127 0.000 1.854 764 A HA -0.054 4.272 4.320 0.009 0.000 0.214 764 A C 2.520 180.047 177.584 -0.094 0.000 1.192 764 A CA 1.293 53.247 52.037 -0.139 0.000 0.611 764 A CB -0.777 18.044 19.000 -0.298 0.000 0.832 764 A HN 0.180 nan 8.150 nan 0.000 0.442 765 V N 0.017 119.853 119.914 -0.131 0.000 2.469 765 V HA -0.240 3.886 4.120 0.009 0.000 0.251 765 V C 2.794 178.881 176.094 -0.012 0.000 1.064 765 V CA 2.269 64.543 62.300 -0.043 0.000 1.066 765 V CB -0.763 31.033 31.823 -0.045 0.000 0.667 765 V HN 0.663 nan 8.190 nan 0.000 0.461 766 S N -0.072 115.611 115.700 -0.028 0.000 2.370 766 S HA -0.245 4.230 4.470 0.009 0.000 0.226 766 S C 2.146 176.743 174.600 -0.005 0.000 1.033 766 S CA 1.897 60.088 58.200 -0.014 0.000 1.011 766 S CB -0.199 62.988 63.200 -0.021 0.000 0.852 766 S HN 0.674 nan 8.310 nan 0.000 0.457 767 R N 0.135 120.630 120.500 -0.009 0.000 2.115 767 R HA 0.022 4.368 4.340 0.009 0.000 0.230 767 R C 2.197 178.504 176.300 0.010 0.000 1.111 767 R CA 1.379 57.477 56.100 -0.002 0.000 0.976 767 R CB -0.528 29.768 30.300 -0.006 0.000 0.870 767 R HN 0.332 nan 8.270 nan 0.000 0.445 768 V N 1.287 121.214 119.914 0.021 0.000 2.379 768 V HA -0.161 3.964 4.120 0.009 0.000 0.245 768 V C 2.502 178.614 176.094 0.030 0.000 1.044 768 V CA 1.869 64.188 62.300 0.031 0.000 1.036 768 V CB -0.654 31.201 31.823 0.054 0.000 0.664 768 V HN 0.378 nan 8.190 nan 0.000 0.453 769 A N 0.004 122.841 122.820 0.028 0.000 1.877 769 A HA -0.253 4.073 4.320 0.009 0.000 0.216 769 A C 2.188 179.790 177.584 0.029 0.000 1.186 769 A CA 2.043 54.099 52.037 0.032 0.000 0.620 769 A CB -0.515 18.500 19.000 0.025 0.000 0.822 769 A HN 0.550 nan 8.150 nan 0.000 0.443 770 E N 0.053 120.263 120.200 0.017 0.000 2.033 770 E HA -0.141 4.214 4.350 0.009 0.000 0.199 770 E C 2.013 178.618 176.600 0.008 0.000 1.011 770 E CA 1.742 58.147 56.400 0.008 0.000 0.815 770 E CB -0.391 29.309 29.700 0.000 0.000 0.755 770 E HN 0.506 nan 8.360 nan 0.000 0.451 771 A N -0.063 122.764 122.820 0.012 0.000 2.121 771 A HA -0.056 4.269 4.320 0.009 0.000 0.218 771 A C 2.094 179.697 177.584 0.032 0.000 1.154 771 A CA 0.787 52.830 52.037 0.010 0.000 0.679 771 A CB -0.405 18.602 19.000 0.012 0.000 0.795 771 A HN 0.305 nan 8.150 nan 0.000 0.458 772 L N -1.505 119.758 121.223 0.066 0.000 2.102 772 L HA -0.070 4.276 4.340 0.009 0.000 0.202 772 L C 2.810 179.723 176.870 0.073 0.000 1.076 772 L CA 0.922 55.850 54.840 0.147 0.000 0.761 772 L CB -0.446 41.711 42.059 0.163 0.000 0.921 772 L HN 0.336 nan 8.230 nan 0.000 0.444 773 R N 0.381 120.904 120.500 0.039 0.000 2.073 773 R HA -0.106 4.240 4.340 0.009 0.000 0.234 773 R C 2.017 178.295 176.300 -0.038 0.000 1.134 773 R CA 1.340 57.445 56.100 0.009 0.000 0.952 773 R CB -0.478 29.828 30.300 0.009 0.000 0.850 773 R HN 0.273 nan 8.270 nan 0.000 0.433 774 A N 0.528 123.324 122.820 -0.041 0.000 2.263 774 A HA -0.028 4.297 4.320 0.009 0.000 0.205 774 A C 1.557 179.068 177.584 -0.121 0.000 1.226 774 A CA 0.798 52.797 52.037 -0.064 0.000 0.810 774 A CB -0.016 18.958 19.000 -0.044 0.000 0.784 774 A HN 0.067 nan 8.150 nan 0.000 0.486 775 R N -2.483 117.898 120.500 -0.198 0.000 2.635 775 R HA 0.189 4.535 4.340 0.009 0.000 0.241 775 R C 0.893 176.855 176.300 -0.564 0.000 0.941 775 R CA 0.957 56.813 56.100 -0.407 0.000 1.014 775 R CB 0.260 30.212 30.300 -0.579 0.000 1.517 775 R HN 0.894 nan 8.270 nan 0.000 0.594 776 G N 1.030 109.616 108.800 -0.357 0.000 2.151 776 G HA2 -0.184 3.781 3.960 0.009 0.000 0.156 776 G HA3 -0.184 3.781 3.960 0.009 0.000 0.156 776 G C -0.204 174.697 174.900 0.001 0.000 1.017 776 G CA -0.449 44.528 45.100 -0.207 0.000 0.686 776 G HN 0.168 nan 8.290 nan 0.000 0.503 777 F N 1.364 121.325 119.950 0.019 0.000 2.347 777 F HA 0.555 5.088 4.527 0.011 0.000 0.366 777 F C 1.208 177.019 175.800 0.018 0.000 1.107 777 F CA -0.744 57.270 58.000 0.023 0.000 1.058 777 F CB 1.611 40.613 39.000 0.002 0.000 1.236 777 F HN 0.225 nan 8.300 nan 0.000 0.456 778 G N 3.169 112.098 108.800 0.215 0.000 2.562 778 G HA2 0.576 4.542 3.960 0.009 0.000 0.275 778 G HA3 0.576 4.542 3.960 0.009 0.000 0.275 778 G C -0.165 174.784 174.900 0.082 0.000 1.196 778 G CA -0.429 44.737 45.100 0.110 0.000 0.908 778 G HN 0.513 nan 8.290 nan 0.000 0.524 779 L N -0.980 120.277 121.223 0.055 0.000 2.836 779 L HA 0.584 4.929 4.340 0.009 0.000 0.216 779 L C 1.744 178.638 176.870 0.040 0.000 1.861 779 L CA -1.169 53.700 54.840 0.047 0.000 2.145 779 L CB 0.580 42.668 42.059 0.048 0.000 2.671 779 L HN 0.352 nan 8.230 nan 0.000 0.594 780 R N -0.409 120.117 120.500 0.043 0.000 2.306 780 R HA 0.185 4.530 4.340 0.009 0.000 0.183 780 R C 1.441 177.762 176.300 0.035 0.000 0.937 780 R CA 0.836 56.959 56.100 0.039 0.000 1.118 780 R CB -0.706 29.623 30.300 0.048 0.000 1.224 780 R HN 0.733 nan 8.270 nan 0.000 0.597 781 G N 0.351 109.175 108.800 0.041 0.000 2.920 781 G HA2 0.079 4.044 3.960 0.009 0.000 0.208 781 G HA3 0.079 4.044 3.960 0.009 0.000 0.208 781 G C 1.185 176.103 174.900 0.029 0.000 1.159 781 G CA 0.265 45.386 45.100 0.036 0.000 0.784 781 G HN 0.091 nan 8.290 nan 0.000 0.535 782 L N -1.358 119.882 121.223 0.029 0.000 2.746 782 L HA 0.244 4.589 4.340 0.009 0.000 0.230 782 L C 1.262 178.145 176.870 0.020 0.000 1.034 782 L CA 0.326 55.180 54.840 0.024 0.000 0.922 782 L CB 0.510 42.584 42.059 0.026 0.000 1.496 782 L HN -0.025 nan 8.230 nan 0.000 0.498 783 D N -1.093 119.321 120.400 0.023 0.000 2.422 783 D HA 0.022 4.668 4.640 0.009 0.000 0.218 783 D C 1.604 177.905 176.300 0.003 0.000 1.047 783 D CA 1.528 55.538 54.000 0.017 0.000 0.885 783 D CB 0.833 41.650 40.800 0.028 0.000 1.035 783 D HN 0.327 nan 8.370 nan 0.000 0.502 784 T N -1.446 113.108 114.554 0.000 0.000 3.125 784 T HA 0.229 4.584 4.350 0.009 0.000 0.252 784 T C -1.373 173.325 174.700 -0.003 0.000 0.981 784 T CA -0.200 61.891 62.100 -0.016 0.000 1.069 784 T CB -1.104 67.737 68.868 -0.045 0.000 1.091 784 T HN -0.082 nan 8.240 nan 0.000 0.460 785 P HA 0.000 nan 4.420 nan 0.000 0.216 785 P CA 0.000 63.108 63.100 0.014 0.000 0.800 785 P CB 0.000 31.711 31.700 0.019 0.000 0.726