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 3mc2_1_C DATA FIRST_RESID 3 DATA SEQUENCE EKTIRWcVVS DHEATKcSSF RDNMKKVLPA GGPAVTcVRK MSHPEcIRDI DATA SEQUENCE SANKVDAVTV DGALVAEADL PHHSLKPIMA EYYGSKDDPK THYYVVAMAK DATA SEQUENCE KGTGFQLNQL RGKKScHTGL GWSAGWYVPL STLLPSGSRE TAAATFFSSS DATA SEQUENCE cVPcADGKMF PSLcQLcAGK GTDKcAcSSR EPYFGSWGAL KcLQDGTADV DATA SEQUENCE SFVKHLTVFE AMPTKADRDQ YELLcMDNTR RPVEEYEQcY LARVPSHVVV DATA SEQUENCE ARSVDGKEDS IQELLRVAQE HFGKDKSSPF QLFGSPHGED LLFTDAAHGL DATA SEQUENCE LRVPRKIDIS LYLGYEFLSA FRNLKRXXXX SQRVKWcAVG QQERTKcDQW DATA SEQUENCE SAVSGGALAc ATEETPEDcI AATMKGEADA MSLDGGFAYV AGHcGLVPVL DATA SEQUENCE AENYLSTHSS GRLGSKcVNA PLEGYYVVAV VKKSDVGITW KSLQGKKScH DATA SEQUENCE TAVGTSEGWN VPMGLIYDQT GScKFDAFFS RScAPGSDPD SPLcALcVGG DATA SEQUENCE NNPAHMcAAN NAEGYHGSSG ALRcLVEKGD VAFMKHPTVL QNTDGKNPEP DATA SEQUENCE WAKGLKHEDF ELLcLDGTRK PVTEAQScHL ARVPNRAVFS RKDKADFVRR DATA SEQUENCE ILFNQQELFG RNGFEYMMFQ MFESSAKDLL FSDDTEcLSN LQDKTTYKTY DATA SEQUENCE LGPQYLTLMD NFRQcLSSEL LDAcTFHKY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.597 176.600 -0.005 0.000 1.382 3 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 3 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 4 K N 1.985 122.381 120.400 -0.007 0.000 2.814 4 K HA 0.262 4.582 4.320 -0.000 0.000 0.213 4 K C -1.013 175.585 176.600 -0.003 0.000 1.113 4 K CA 0.055 56.341 56.287 -0.002 0.000 1.145 4 K CB 0.416 32.914 32.500 -0.004 0.000 0.948 4 K HN -0.080 nan 8.250 nan 0.000 0.464 5 T N 1.495 116.047 114.554 -0.003 0.000 2.744 5 T HA 0.360 4.709 4.350 -0.000 0.000 0.291 5 T C 0.150 174.862 174.700 0.021 0.000 0.957 5 T CA -0.401 61.697 62.100 -0.004 0.000 1.002 5 T CB 0.970 69.830 68.868 -0.013 0.000 0.919 5 T HN 0.153 nan 8.240 nan 0.000 0.468 6 I N 3.542 124.138 120.570 0.044 0.000 2.342 6 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 6 I C 0.767 176.966 176.117 0.136 0.000 1.010 6 I CA -0.622 60.738 61.300 0.100 0.000 1.308 6 I CB 0.829 38.932 38.000 0.171 0.000 1.400 6 I HN 0.335 nan 8.210 nan 0.000 0.488 7 R N 6.243 126.805 120.500 0.103 0.000 2.220 7 R HA 0.166 4.506 4.340 -0.000 0.000 0.340 7 R C -0.675 175.698 176.300 0.123 0.000 1.076 7 R CA -0.302 55.856 56.100 0.097 0.000 0.920 7 R CB 0.740 31.057 30.300 0.029 0.000 1.062 7 R HN 0.595 nan 8.270 nan 0.000 0.469 8 W N 4.009 125.325 121.300 0.026 0.000 2.381 8 W HA 0.254 4.914 4.660 -0.000 0.000 0.329 8 W C -0.495 176.027 176.519 0.006 0.000 1.157 8 W CA -0.877 56.486 57.345 0.030 0.000 1.240 8 W CB 1.531 31.036 29.460 0.075 0.000 1.199 8 W HN 0.406 nan 8.180 nan 0.000 0.579 9 c N 6.308 124.694 118.600 -0.356 0.000 2.319 9 c HA 0.633 5.203 4.570 -0.000 0.000 0.335 9 c C 0.141 174.255 174.090 0.041 0.000 1.274 9 c CA -0.344 55.904 56.329 -0.134 0.000 1.806 9 c CB -0.505 41.869 42.510 -0.228 0.000 2.329 9 c HN 0.362 nan 8.230 nan 0.000 0.524 10 V N 5.503 125.446 119.914 0.049 0.000 2.876 10 V HA 0.791 4.911 4.120 -0.000 0.000 0.312 10 V C 0.005 176.086 176.094 -0.022 0.000 1.085 10 V CA -0.235 62.098 62.300 0.054 0.000 0.945 10 V CB 1.320 33.201 31.823 0.096 0.000 1.017 10 V HN 0.882 nan 8.190 nan 0.000 0.428 11 V N -0.344 119.547 119.914 -0.039 0.000 3.572 11 V HA 0.458 4.577 4.120 -0.000 0.000 0.260 11 V C 0.758 176.845 176.094 -0.011 0.000 1.324 11 V CA 1.033 63.297 62.300 -0.061 0.000 1.068 11 V CB 0.400 32.142 31.823 -0.135 0.000 0.837 11 V HN 1.003 nan 8.190 nan 0.000 0.450 12 S N 0.020 115.744 115.700 0.040 0.000 2.568 12 S HA 0.356 4.825 4.470 -0.000 0.000 0.302 12 S C 0.606 175.232 174.600 0.042 0.000 1.082 12 S CA -0.128 58.116 58.200 0.074 0.000 1.009 12 S CB 1.726 65.029 63.200 0.173 0.000 1.069 12 S HN 0.423 nan 8.310 nan 0.000 0.500 13 D N 1.137 121.538 120.400 0.003 0.000 2.117 13 D HA -0.138 4.501 4.640 -0.000 0.000 0.197 13 D C 1.264 177.491 176.300 -0.121 0.000 0.987 13 D CA 1.329 55.277 54.000 -0.086 0.000 0.829 13 D CB -0.096 40.610 40.800 -0.156 0.000 0.961 13 D HN 0.689 nan 8.370 nan 0.000 0.460 14 H N 0.456 119.538 119.070 0.021 0.000 2.421 14 H HA -0.077 4.478 4.556 -0.000 0.000 0.298 14 H C 1.993 177.247 175.328 -0.123 0.000 1.087 14 H CA 0.947 56.974 56.048 -0.035 0.000 1.330 14 H CB 0.098 29.936 29.762 0.127 0.000 1.388 14 H HN 0.418 nan 8.280 nan 0.000 0.526 15 E N 0.652 120.905 120.200 0.088 0.000 2.107 15 E HA -0.075 4.274 4.350 -0.000 0.000 0.191 15 E C 2.412 179.020 176.600 0.014 0.000 0.982 15 E CA 0.640 57.074 56.400 0.057 0.000 0.809 15 E CB 0.129 29.888 29.700 0.099 0.000 0.756 15 E HN 0.365 nan 8.360 nan 0.000 0.459 16 A N 0.460 123.278 122.820 -0.003 0.000 1.883 16 A HA -0.209 4.110 4.320 -0.000 0.000 0.217 16 A C 2.385 179.947 177.584 -0.036 0.000 1.186 16 A CA 2.196 54.230 52.037 -0.006 0.000 0.624 16 A CB -1.131 17.858 19.000 -0.019 0.000 0.822 16 A HN 0.318 nan 8.150 nan 0.000 0.444 17 T N -0.346 114.144 114.554 -0.107 0.000 2.684 17 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 17 T C 1.967 176.620 174.700 -0.079 0.000 1.036 17 T CA 1.763 63.784 62.100 -0.133 0.000 1.148 17 T CB -0.224 68.463 68.868 -0.301 0.000 0.863 17 T HN 0.607 nan 8.240 nan 0.000 0.436 18 K N 0.202 120.552 120.400 -0.082 0.000 2.147 18 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 18 K C 2.648 179.314 176.600 0.110 0.000 1.049 18 K CA 1.185 57.496 56.287 0.040 0.000 0.936 18 K CB -0.464 32.046 32.500 0.017 0.000 0.722 18 K HN 0.415 nan 8.250 nan 0.000 0.446 19 c N 0.388 119.021 118.600 0.055 0.000 2.446 19 c HA -0.010 4.560 4.570 -0.000 0.000 0.277 19 c C 2.672 176.801 174.090 0.065 0.000 1.275 19 c CA 1.350 57.728 56.329 0.082 0.000 1.727 19 c CB -0.871 41.694 42.510 0.091 0.000 2.010 19 c HN 0.517 nan 8.230 nan 0.000 0.486 20 S N 0.105 115.809 115.700 0.006 0.000 2.368 20 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 20 S C 2.121 176.657 174.600 -0.107 0.000 1.030 20 S CA 1.610 59.780 58.200 -0.051 0.000 0.999 20 S CB -0.550 62.626 63.200 -0.041 0.000 0.844 20 S HN 0.778 nan 8.310 nan 0.000 0.459 21 S N 0.519 116.180 115.700 -0.064 0.000 2.400 21 S HA -0.106 4.364 4.470 -0.000 0.000 0.232 21 S C 1.562 175.875 174.600 -0.478 0.000 1.025 21 S CA 0.926 59.055 58.200 -0.119 0.000 0.993 21 S CB -0.427 62.834 63.200 0.102 0.000 0.808 21 S HN 0.515 nan 8.310 nan 0.000 0.478 22 F N 2.706 122.255 119.950 -0.668 0.000 2.186 22 F HA 0.135 4.662 4.527 -0.000 0.000 0.299 22 F C 2.284 177.674 175.800 -0.684 0.000 1.090 22 F CA 1.477 58.848 58.000 -1.048 0.000 1.307 22 F CB -0.695 38.009 39.000 -0.494 0.000 1.019 22 F HN 0.139 nan 8.300 nan 0.000 0.489 23 R N 0.331 120.501 120.500 -0.549 0.000 2.073 23 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 23 R C 1.863 177.897 176.300 -0.443 0.000 1.134 23 R CA 2.041 57.835 56.100 -0.510 0.000 0.952 23 R CB -0.571 29.566 30.300 -0.271 0.000 0.850 23 R HN 0.201 nan 8.270 nan 0.000 0.433 24 D N 0.477 120.658 120.400 -0.365 0.000 2.092 24 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 24 D C 1.464 177.573 176.300 -0.318 0.000 0.994 24 D CA 1.318 55.150 54.000 -0.279 0.000 0.828 24 D CB -0.576 40.097 40.800 -0.212 0.000 0.963 24 D HN 0.375 nan 8.370 nan 0.000 0.450 25 N N -0.366 118.044 118.700 -0.482 0.000 2.459 25 N HA -0.083 4.656 4.740 -0.000 0.000 0.181 25 N C 1.419 176.668 175.510 -0.434 0.000 1.046 25 N CA 0.382 53.140 53.050 -0.487 0.000 0.904 25 N CB 0.040 37.941 38.487 -0.975 0.000 0.964 25 N HN 0.115 nan 8.380 nan 0.000 0.444 26 M N 0.666 119.938 119.600 -0.546 0.000 2.501 26 M HA 0.078 4.558 4.480 -0.000 0.000 0.261 26 M C 1.053 177.176 176.300 -0.295 0.000 1.129 26 M CA 0.960 55.983 55.300 -0.462 0.000 1.126 26 M CB 0.350 32.504 32.600 -0.743 0.000 1.359 26 M HN -0.200 nan 8.290 nan 0.000 0.471 27 K N -0.577 119.663 120.400 -0.266 0.000 2.504 27 K HA 0.088 4.408 4.320 -0.000 0.000 0.199 27 K C 0.879 177.403 176.600 -0.126 0.000 1.028 27 K CA 0.229 56.410 56.287 -0.177 0.000 1.164 27 K CB 0.295 32.696 32.500 -0.165 0.000 0.877 27 K HN 0.264 nan 8.250 nan 0.000 0.508 28 K N -0.622 119.706 120.400 -0.121 0.000 2.435 28 K HA 0.093 4.413 4.320 -0.000 0.000 0.199 28 K C 1.321 177.879 176.600 -0.070 0.000 1.153 28 K CA 0.173 56.419 56.287 -0.068 0.000 0.974 28 K CB 1.012 33.494 32.500 -0.030 0.000 0.997 28 K HN -0.106 nan 8.250 nan 0.000 0.547 29 V N 0.738 120.579 119.914 -0.121 0.000 2.788 29 V HA 0.091 4.211 4.120 -0.000 0.000 0.241 29 V C 0.853 176.883 176.094 -0.107 0.000 1.083 29 V CA 0.627 62.823 62.300 -0.174 0.000 1.103 29 V CB 0.434 32.004 31.823 -0.421 0.000 0.800 29 V HN 0.185 nan 8.190 nan 0.000 0.476 30 L N 2.455 123.614 121.223 -0.107 0.000 2.839 30 L HA 0.347 4.687 4.340 -0.000 0.000 0.259 30 L C -1.995 174.829 176.870 -0.076 0.000 1.369 30 L CA -0.272 54.524 54.840 -0.075 0.000 0.845 30 L CB 0.772 42.789 42.059 -0.069 0.000 1.181 30 L HN 0.292 nan 8.230 nan 0.000 0.529 31 P HA 0.129 nan 4.420 nan 0.000 0.275 31 P C 1.224 178.497 177.300 -0.045 0.000 1.310 31 P CA 0.180 63.241 63.100 -0.065 0.000 0.904 31 P CB 0.911 32.569 31.700 -0.070 0.000 1.381 32 A N 1.132 123.932 122.820 -0.034 0.000 2.042 32 A HA 0.047 4.367 4.320 -0.000 0.000 0.222 32 A C 1.754 179.323 177.584 -0.024 0.000 1.167 32 A CA 2.122 54.144 52.037 -0.024 0.000 0.649 32 A CB -1.362 17.628 19.000 -0.017 0.000 0.809 32 A HN 0.355 nan 8.150 nan 0.000 0.457 33 G N -3.670 105.112 108.800 -0.029 0.000 3.216 33 G HA2 0.291 4.251 3.960 -0.000 0.000 0.221 33 G HA3 0.291 4.251 3.960 -0.000 0.000 0.221 33 G C 0.587 175.472 174.900 -0.026 0.000 0.949 33 G CA 0.224 45.307 45.100 -0.027 0.000 0.952 33 G HN 1.051 nan 8.290 nan 0.000 0.657 34 G N 0.385 109.167 108.800 -0.030 0.000 2.624 34 G HA2 0.626 4.586 3.960 -0.000 0.000 0.217 34 G HA3 0.626 4.586 3.960 -0.000 0.000 0.217 34 G C -1.884 172.997 174.900 -0.032 0.000 1.506 34 G CA -0.485 44.600 45.100 -0.025 0.000 1.072 34 G HN 0.202 nan 8.290 nan 0.000 0.568 35 P HA 0.332 nan 4.420 nan 0.000 0.267 35 P C -0.640 176.615 177.300 -0.076 0.000 1.209 35 P CA 0.251 63.332 63.100 -0.031 0.000 0.763 35 P CB 1.102 32.797 31.700 -0.009 0.000 0.816 36 A N 3.905 126.682 122.820 -0.072 0.000 2.350 36 A HA 0.677 4.997 4.320 -0.000 0.000 0.318 36 A C -0.472 177.042 177.584 -0.118 0.000 1.132 36 A CA -0.695 51.272 52.037 -0.117 0.000 0.811 36 A CB 1.365 20.313 19.000 -0.087 0.000 1.313 36 A HN 0.341 nan 8.150 nan 0.000 0.454 37 V N 0.235 120.037 119.914 -0.187 0.000 2.630 37 V HA 0.776 4.896 4.120 -0.000 0.000 0.305 37 V C 0.009 176.069 176.094 -0.058 0.000 1.046 37 V CA -0.298 61.919 62.300 -0.140 0.000 0.934 37 V CB 1.752 33.367 31.823 -0.347 0.000 1.003 37 V HN 0.955 nan 8.190 nan 0.000 0.451 38 T N 1.759 116.336 114.554 0.037 0.000 2.993 38 T HA 0.387 4.737 4.350 -0.000 0.000 0.312 38 T C -0.932 173.832 174.700 0.107 0.000 1.115 38 T CA -0.367 61.758 62.100 0.042 0.000 1.027 38 T CB 1.300 70.188 68.868 0.033 0.000 1.116 38 T HN 0.749 nan 8.240 nan 0.000 0.464 39 c N 2.848 121.496 118.600 0.079 0.000 2.351 39 c HA 0.818 5.388 4.570 -0.000 0.000 0.326 39 c C 0.062 174.193 174.090 0.068 0.000 1.272 39 c CA -0.813 55.582 56.329 0.110 0.000 1.650 39 c CB 0.271 42.835 42.510 0.089 0.000 2.257 39 c HN 0.706 nan 8.230 nan 0.000 0.505 40 V N 3.604 123.561 119.914 0.071 0.000 2.444 40 V HA 0.486 4.606 4.120 -0.000 0.000 0.294 40 V C -0.063 176.041 176.094 0.016 0.000 1.022 40 V CA -0.464 61.853 62.300 0.028 0.000 0.850 40 V CB 1.532 33.361 31.823 0.011 0.000 0.992 40 V HN 0.819 nan 8.190 nan 0.000 0.426 41 R N 4.982 125.484 120.500 0.004 0.000 2.221 41 R HA 0.538 4.878 4.340 -0.000 0.000 0.327 41 R C -0.567 175.720 176.300 -0.021 0.000 1.033 41 R CA 0.022 56.117 56.100 -0.008 0.000 0.887 41 R CB 0.465 30.759 30.300 -0.010 0.000 1.057 41 R HN 0.522 nan 8.270 nan 0.000 0.455 42 K N 4.441 124.821 120.400 -0.034 0.000 2.426 42 K HA 0.223 4.542 4.320 -0.000 0.000 0.251 42 K C 0.663 177.234 176.600 -0.047 0.000 0.941 42 K CA -0.957 55.308 56.287 -0.037 0.000 0.808 42 K CB 1.598 34.075 32.500 -0.039 0.000 1.265 42 K HN 0.501 nan 8.250 nan 0.000 0.432 43 M N 0.541 120.117 119.600 -0.041 0.000 2.113 43 M HA -0.234 4.246 4.480 -0.000 0.000 0.255 43 M C 0.947 177.207 176.300 -0.067 0.000 1.073 43 M CA 1.923 57.193 55.300 -0.051 0.000 1.091 43 M CB -0.296 32.281 32.600 -0.039 0.000 1.309 43 M HN 0.789 nan 8.290 nan 0.000 0.407 44 S N -3.407 112.267 115.700 -0.043 0.000 2.794 44 S HA 0.382 4.852 4.470 -0.000 0.000 0.299 44 S C 0.539 175.145 174.600 0.010 0.000 1.179 44 S CA -1.019 57.171 58.200 -0.017 0.000 0.838 44 S CB 0.604 63.831 63.200 0.045 0.000 1.206 44 S HN 0.255 nan 8.310 nan 0.000 0.523 45 H N 0.970 120.142 119.070 0.170 0.000 2.389 45 H HA 0.088 4.644 4.556 -0.000 0.000 0.299 45 H C -0.975 174.400 175.328 0.079 0.000 1.081 45 H CA 1.729 57.861 56.048 0.141 0.000 1.345 45 H CB -1.474 28.424 29.762 0.227 0.000 1.393 45 H HN 0.436 nan 8.280 nan 0.000 0.520 46 P HA -0.110 nan 4.420 nan 0.000 0.218 46 P C 1.540 178.886 177.300 0.078 0.000 1.149 46 P CA 1.414 64.597 63.100 0.138 0.000 0.817 46 P CB -0.002 31.787 31.700 0.149 0.000 0.785 47 E N -1.256 118.981 120.200 0.061 0.000 2.152 47 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 47 E C 1.514 178.114 176.600 0.002 0.000 0.983 47 E CA 0.804 57.217 56.400 0.022 0.000 0.818 47 E CB -0.358 29.346 29.700 0.006 0.000 0.758 47 E HN 0.118 nan 8.360 nan 0.000 0.467 48 c N 0.433 119.033 118.600 -0.000 0.000 2.436 48 c HA -0.114 4.456 4.570 -0.000 0.000 0.277 48 c C 2.535 176.602 174.090 -0.039 0.000 1.241 48 c CA 0.640 56.948 56.329 -0.035 0.000 1.721 48 c CB -0.878 41.610 42.510 -0.037 0.000 2.043 48 c HN 0.499 nan 8.230 nan 0.000 0.472 49 I N 0.328 120.891 120.570 -0.012 0.000 2.163 49 I HA -0.264 3.906 4.170 -0.000 0.000 0.243 49 I C 2.821 178.923 176.117 -0.026 0.000 1.085 49 I CA 1.661 62.944 61.300 -0.029 0.000 1.347 49 I CB -0.600 37.393 38.000 -0.012 0.000 1.044 49 I HN 0.335 nan 8.210 nan 0.000 0.408 50 R N 0.756 121.252 120.500 -0.007 0.000 2.080 50 R HA -0.202 4.138 4.340 -0.000 0.000 0.236 50 R C 1.790 178.080 176.300 -0.017 0.000 1.137 50 R CA 2.153 58.250 56.100 -0.005 0.000 0.943 50 R CB -0.436 29.868 30.300 0.007 0.000 0.846 50 R HN 0.333 nan 8.270 nan 0.000 0.431 51 D N -0.063 120.323 120.400 -0.022 0.000 2.350 51 D HA -0.070 4.569 4.640 -0.000 0.000 0.216 51 D C 1.475 177.751 176.300 -0.041 0.000 0.968 51 D CA 0.756 54.739 54.000 -0.029 0.000 0.894 51 D CB 0.081 40.862 40.800 -0.030 0.000 0.909 51 D HN 0.281 nan 8.370 nan 0.000 0.520 52 I N -0.315 120.223 120.570 -0.053 0.000 2.584 52 I HA -0.130 4.040 4.170 -0.000 0.000 0.255 52 I C 1.882 177.969 176.117 -0.048 0.000 1.145 52 I CA 0.477 61.737 61.300 -0.066 0.000 1.462 52 I CB 0.155 38.099 38.000 -0.094 0.000 1.102 52 I HN -0.085 nan 8.210 nan 0.000 0.433 53 S N 1.030 116.708 115.700 -0.038 0.000 2.377 53 S HA -0.007 4.463 4.470 -0.000 0.000 0.223 53 S C 2.026 176.615 174.600 -0.019 0.000 1.030 53 S CA 1.054 59.238 58.200 -0.026 0.000 0.970 53 S CB -0.180 63.008 63.200 -0.018 0.000 0.830 53 S HN 0.470 nan 8.310 nan 0.000 0.473 54 A N 1.604 124.413 122.820 -0.018 0.000 2.255 54 A HA 0.082 4.402 4.320 -0.000 0.000 0.206 54 A C 0.915 178.490 177.584 -0.016 0.000 1.193 54 A CA 0.197 52.225 52.037 -0.014 0.000 0.794 54 A CB -0.707 18.285 19.000 -0.012 0.000 0.794 54 A HN 0.471 nan 8.150 nan 0.000 0.481 55 N N -1.135 117.552 118.700 -0.021 0.000 2.721 55 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 55 N C 0.609 176.107 175.510 -0.020 0.000 1.072 55 N CA 1.534 54.571 53.050 -0.021 0.000 0.710 55 N CB -0.960 37.518 38.487 -0.016 0.000 0.993 55 N HN 0.757 nan 8.380 nan 0.000 0.547 56 K N -1.143 119.243 120.400 -0.024 0.000 2.335 56 K HA 0.190 4.509 4.320 -0.000 0.000 0.195 56 K C 0.465 177.049 176.600 -0.026 0.000 1.058 56 K CA 0.663 56.937 56.287 -0.022 0.000 0.988 56 K CB 0.859 33.346 32.500 -0.021 0.000 0.880 56 K HN 0.059 nan 8.250 nan 0.000 0.513 57 V N 0.374 120.264 119.914 -0.040 0.000 3.160 57 V HA 0.169 4.289 4.120 -0.000 0.000 0.310 57 V C -0.225 175.827 176.094 -0.069 0.000 1.181 57 V CA -0.809 61.459 62.300 -0.054 0.000 1.047 57 V CB 2.238 34.013 31.823 -0.081 0.000 1.068 57 V HN -0.052 nan 8.190 nan 0.000 0.441 58 D N 0.321 120.671 120.400 -0.083 0.000 2.716 58 D HA 0.465 5.105 4.640 -0.000 0.000 0.273 58 D C 0.337 176.529 176.300 -0.180 0.000 1.024 58 D CA 1.155 55.103 54.000 -0.087 0.000 0.944 58 D CB 1.500 42.287 40.800 -0.022 0.000 1.186 58 D HN 0.708 nan 8.370 nan 0.000 0.485 59 A N 0.328 122.944 122.820 -0.340 0.000 2.566 59 A HA 0.679 4.999 4.320 -0.000 0.000 0.292 59 A C -1.473 175.361 177.584 -1.250 0.000 1.112 59 A CA -0.578 51.052 52.037 -0.678 0.000 0.707 59 A CB 2.537 21.144 19.000 -0.654 0.000 1.302 59 A HN -0.032 nan 8.150 nan 0.000 0.409 60 V N 0.115 119.361 119.914 -1.112 0.000 3.036 60 V HA 0.562 4.682 4.120 -0.000 0.000 0.288 60 V C -1.117 174.759 176.094 -0.364 0.000 1.407 60 V CA -0.232 61.557 62.300 -0.851 0.000 0.983 60 V CB 2.358 33.959 31.823 -0.369 0.000 1.128 60 V HN 1.099 nan 8.190 nan 0.000 0.439 61 T N 6.008 120.509 114.554 -0.088 0.000 2.747 61 T HA 0.621 4.971 4.350 -0.000 0.000 0.301 61 T C -0.081 174.623 174.700 0.008 0.000 0.952 61 T CA 0.096 62.200 62.100 0.007 0.000 0.983 61 T CB 0.682 69.548 68.868 -0.005 0.000 0.930 61 T HN 1.145 nan 8.240 nan 0.000 0.494 62 V N 0.243 120.123 119.914 -0.056 0.000 3.139 62 V HA 0.725 4.845 4.120 -0.000 0.000 0.310 62 V C -0.743 175.227 176.094 -0.208 0.000 1.260 62 V CA -1.430 60.750 62.300 -0.200 0.000 1.064 62 V CB 1.781 33.449 31.823 -0.258 0.000 1.160 62 V HN 0.544 nan 8.190 nan 0.000 0.470 63 D N 0.127 120.204 120.400 -0.539 0.000 2.347 63 D HA 0.456 5.096 4.640 -0.000 0.000 0.235 63 D C 1.397 177.459 176.300 -0.395 0.000 1.149 63 D CA 0.649 54.181 54.000 -0.780 0.000 0.850 63 D CB 1.117 41.320 40.800 -0.994 0.000 1.061 63 D HN 0.893 nan 8.370 nan 0.000 0.487 64 G N 3.527 112.169 108.800 -0.263 0.000 2.661 64 G HA2 -0.384 3.575 3.960 -0.000 0.000 0.224 64 G HA3 -0.384 3.575 3.960 -0.000 0.000 0.224 64 G C 1.449 176.215 174.900 -0.223 0.000 1.114 64 G CA 1.145 46.135 45.100 -0.184 0.000 0.751 64 G HN 0.654 nan 8.290 nan 0.000 0.609 65 A N 0.186 122.886 122.820 -0.200 0.000 1.902 65 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 65 A C 2.356 179.912 177.584 -0.047 0.000 1.181 65 A CA 1.661 53.649 52.037 -0.083 0.000 0.623 65 A CB -0.388 18.768 19.000 0.260 0.000 0.818 65 A HN 0.330 nan 8.150 nan 0.000 0.443 66 L N -0.306 120.880 121.223 -0.062 0.000 2.191 66 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 66 L C 2.439 179.285 176.870 -0.040 0.000 1.103 66 L CA 1.259 56.089 54.840 -0.017 0.000 0.769 66 L CB -0.539 41.456 42.059 -0.107 0.000 0.908 66 L HN 0.244 nan 8.230 nan 0.000 0.438 67 V N -0.924 118.927 119.914 -0.106 0.000 2.453 67 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 67 V C 2.516 178.543 176.094 -0.111 0.000 1.048 67 V CA 1.408 63.647 62.300 -0.102 0.000 1.049 67 V CB -1.174 30.573 31.823 -0.128 0.000 0.672 67 V HN 0.453 nan 8.190 nan 0.000 0.457 68 A N -0.483 122.226 122.820 -0.185 0.000 2.167 68 A HA -0.089 4.230 4.320 -0.000 0.000 0.214 68 A C 2.087 179.538 177.584 -0.221 0.000 1.151 68 A CA 0.987 52.853 52.037 -0.284 0.000 0.735 68 A CB -0.370 18.318 19.000 -0.520 0.000 0.802 68 A HN 0.608 nan 8.150 nan 0.000 0.467 69 E N 0.142 120.322 120.200 -0.034 0.000 2.285 69 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 69 E C 0.880 177.574 176.600 0.156 0.000 0.997 69 E CA 0.273 56.799 56.400 0.210 0.000 0.845 69 E CB -0.092 29.792 29.700 0.308 0.000 0.782 69 E HN 0.552 nan 8.360 nan 0.000 0.491 70 A N 2.880 125.741 122.820 0.067 0.000 2.489 70 A HA -0.046 4.274 4.320 -0.000 0.000 0.289 70 A C 0.799 178.407 177.584 0.041 0.000 1.216 70 A CA -0.046 52.021 52.037 0.050 0.000 0.883 70 A CB -0.142 18.868 19.000 0.016 0.000 1.110 70 A HN 0.238 nan 8.150 nan 0.000 0.523 71 D N 2.623 123.063 120.400 0.067 0.000 2.351 71 D HA -0.114 4.526 4.640 -0.000 0.000 0.216 71 D C 0.316 176.627 176.300 0.020 0.000 0.968 71 D CA 0.151 54.185 54.000 0.056 0.000 0.899 71 D CB -0.263 40.580 40.800 0.071 0.000 0.907 71 D HN 0.341 nan 8.370 nan 0.000 0.514 72 L N 3.115 124.345 121.223 0.012 0.000 2.559 72 L HA 0.107 4.447 4.340 -0.000 0.000 0.274 72 L C -1.196 175.663 176.870 -0.019 0.000 1.205 72 L CA -0.818 54.022 54.840 -0.000 0.000 0.907 72 L CB -0.890 41.172 42.059 0.005 0.000 1.153 72 L HN 0.007 nan 8.230 nan 0.000 0.490 73 P HA -0.012 nan 4.420 nan 0.000 0.273 73 P C 0.038 177.335 177.300 -0.003 0.000 1.252 73 P CA -0.078 62.987 63.100 -0.058 0.000 0.809 73 P CB 0.434 32.077 31.700 -0.095 0.000 1.017 74 H N -2.363 116.615 119.070 -0.153 0.000 4.734 74 H HA -0.176 4.380 4.556 -0.000 0.000 0.252 74 H C -0.416 174.746 175.328 -0.278 0.000 0.525 74 H CA 0.346 56.299 56.048 -0.158 0.000 0.682 74 H CB -1.459 28.267 29.762 -0.059 0.000 0.876 74 H HN 0.685 nan 8.280 nan 0.000 0.317 75 H N 0.321 119.398 119.070 0.010 0.000 2.360 75 H HA 0.338 4.893 4.556 -0.000 0.000 0.233 75 H C 1.085 176.324 175.328 -0.148 0.000 1.473 75 H CA 0.385 56.388 56.048 -0.075 0.000 1.352 75 H CB 0.683 30.394 29.762 -0.085 0.000 1.493 75 H HN 0.489 nan 8.280 nan 0.000 0.533 76 S N 1.242 116.926 115.700 -0.028 0.000 2.406 76 S HA 0.048 4.518 4.470 -0.000 0.000 0.224 76 S C 0.691 175.264 174.600 -0.045 0.000 1.030 76 S CA 0.189 58.356 58.200 -0.054 0.000 0.958 76 S CB 0.345 63.530 63.200 -0.026 0.000 0.811 76 S HN 0.275 nan 8.310 nan 0.000 0.489 77 L N 2.226 123.428 121.223 -0.035 0.000 2.334 77 L HA 0.590 4.930 4.340 -0.000 0.000 0.275 77 L C -0.373 176.467 176.870 -0.051 0.000 1.036 77 L CA -0.796 54.012 54.840 -0.052 0.000 0.807 77 L CB 1.510 43.531 42.059 -0.062 0.000 1.231 77 L HN 0.333 nan 8.230 nan 0.000 0.438 78 K N 1.433 121.786 120.400 -0.078 0.000 2.498 78 K HA 0.641 4.961 4.320 -0.000 0.000 0.254 78 K C -3.023 173.496 176.600 -0.135 0.000 0.933 78 K CA -2.007 54.221 56.287 -0.098 0.000 0.806 78 K CB 1.968 34.410 32.500 -0.097 0.000 1.301 78 K HN 0.086 nan 8.250 nan 0.000 0.432 79 P HA 0.119 nan 4.420 nan 0.000 0.276 79 P C 0.081 177.260 177.300 -0.201 0.000 1.230 79 P CA -0.512 62.438 63.100 -0.250 0.000 0.776 79 P CB 0.514 31.950 31.700 -0.441 0.000 0.888 80 I N -1.213 119.272 120.570 -0.142 0.000 4.032 80 I HA 0.366 4.536 4.170 -0.000 0.000 0.313 80 I C 0.305 176.391 176.117 -0.053 0.000 1.272 80 I CA 0.494 61.742 61.300 -0.085 0.000 1.307 80 I CB 0.230 38.214 38.000 -0.026 0.000 1.155 80 I HN 0.138 nan 8.210 nan 0.000 0.431 81 M N 1.662 121.246 119.600 -0.027 0.000 2.322 81 M HA 0.665 5.145 4.480 -0.000 0.000 0.285 81 M C -1.345 174.999 176.300 0.073 0.000 1.119 81 M CA -0.368 54.971 55.300 0.064 0.000 0.953 81 M CB 2.755 35.453 32.600 0.162 0.000 1.701 81 M HN 0.169 nan 8.290 nan 0.000 0.479 82 A N 2.409 125.322 122.820 0.154 0.000 2.337 82 A HA 0.787 5.107 4.320 -0.000 0.000 0.331 82 A C -0.696 177.065 177.584 0.296 0.000 1.137 82 A CA -0.661 51.510 52.037 0.224 0.000 0.807 82 A CB 1.139 20.355 19.000 0.359 0.000 1.250 82 A HN 0.833 nan 8.150 nan 0.000 0.468 83 E N -0.056 120.286 120.200 0.235 0.000 2.318 83 E HA 0.487 4.837 4.350 -0.000 0.000 0.265 83 E C -1.435 175.101 176.600 -0.105 0.000 1.069 83 E CA -0.222 56.184 56.400 0.010 0.000 0.893 83 E CB 1.155 30.786 29.700 -0.114 0.000 1.076 83 E HN 0.622 nan 8.360 nan 0.000 0.414 84 Y N -1.746 118.300 120.300 -0.422 0.000 2.492 84 Y HA 0.419 4.969 4.550 -0.000 0.000 0.346 84 Y C -1.224 174.331 175.900 -0.575 0.000 0.997 84 Y CA -1.348 56.513 58.100 -0.397 0.000 1.025 84 Y CB 0.628 39.004 38.460 -0.140 0.000 1.263 84 Y HN 0.382 nan 8.280 nan 0.000 0.454 85 Y N 3.148 123.474 120.300 0.043 0.000 2.724 85 Y HA 0.660 5.210 4.550 -0.000 0.000 0.370 85 Y C 0.731 176.604 175.900 -0.044 0.000 0.978 85 Y CA -0.412 57.672 58.100 -0.028 0.000 1.443 85 Y CB 0.620 39.071 38.460 -0.015 0.000 1.386 85 Y HN 1.005 nan 8.280 nan 0.000 0.557 86 G N 0.017 108.826 108.800 0.017 0.000 3.069 86 G HA2 0.566 4.526 3.960 -0.000 0.000 0.205 86 G HA3 0.566 4.526 3.960 -0.000 0.000 0.205 86 G C 0.132 174.807 174.900 -0.374 0.000 1.771 86 G CA 0.421 45.481 45.100 -0.067 0.000 0.739 86 G HN 0.345 nan 8.290 nan 0.000 0.784 87 S N -1.689 113.946 115.700 -0.108 0.000 4.006 87 S HA 0.392 4.862 4.470 -0.000 0.000 0.292 87 S C 0.650 175.276 174.600 0.044 0.000 1.069 87 S CA 0.530 58.681 58.200 -0.081 0.000 1.237 87 S CB 1.081 64.237 63.200 -0.074 0.000 1.706 87 S HN 0.373 nan 8.310 nan 0.000 0.569 88 K N 0.691 121.104 120.400 0.021 0.000 2.370 88 K HA 0.384 4.704 4.320 -0.000 0.000 0.194 88 K C 0.897 177.483 176.600 -0.022 0.000 1.070 88 K CA 0.895 57.184 56.287 0.004 0.000 0.998 88 K CB -0.031 32.483 32.500 0.023 0.000 0.911 88 K HN 0.473 nan 8.250 nan 0.000 0.533 89 D N 0.649 121.041 120.400 -0.013 0.000 2.262 89 D HA -0.031 4.609 4.640 -0.000 0.000 0.212 89 D C -0.551 175.737 176.300 -0.020 0.000 0.964 89 D CA 0.956 54.949 54.000 -0.013 0.000 0.875 89 D CB 0.325 41.126 40.800 0.002 0.000 0.996 89 D HN 0.405 nan 8.370 nan 0.000 0.497 90 D N -0.194 120.197 120.400 -0.015 0.000 2.328 90 D HA 0.260 4.899 4.640 -0.000 0.000 0.243 90 D C -2.931 173.371 176.300 0.002 0.000 1.324 90 D CA -1.664 52.334 54.000 -0.004 0.000 0.966 90 D CB 1.455 42.278 40.800 0.038 0.000 1.324 90 D HN -0.219 nan 8.370 nan 0.000 0.549 91 P HA 0.194 nan 4.420 nan 0.000 0.281 91 P C -0.724 176.609 177.300 0.054 0.000 1.286 91 P CA -0.481 62.576 63.100 -0.073 0.000 0.772 91 P CB 0.701 32.096 31.700 -0.508 0.000 0.862 92 K N 1.729 122.222 120.400 0.155 0.000 2.268 92 K HA 0.215 4.535 4.320 -0.000 0.000 0.276 92 K C 0.466 177.184 176.600 0.197 0.000 1.080 92 K CA -0.270 56.098 56.287 0.135 0.000 0.910 92 K CB 0.345 32.803 32.500 -0.071 0.000 1.163 92 K HN 0.381 nan 8.250 nan 0.000 0.465 93 T N 0.234 114.994 114.554 0.342 0.000 3.406 93 T HA 0.044 4.394 4.350 -0.000 0.000 0.244 93 T C 0.217 175.222 174.700 0.507 0.000 0.949 93 T CA -0.451 61.909 62.100 0.434 0.000 0.926 93 T CB -0.793 68.360 68.868 0.474 0.000 1.089 93 T HN 0.615 nan 8.240 nan 0.000 0.604 94 H N -0.898 118.385 119.070 0.355 0.000 2.966 94 H HA 0.582 5.137 4.556 -0.000 0.000 0.330 94 H C -1.570 173.850 175.328 0.154 0.000 1.292 94 H CA -1.423 54.693 56.048 0.114 0.000 1.127 94 H CB 1.046 30.686 29.762 -0.205 0.000 1.863 94 H HN 0.313 nan 8.280 nan 0.000 0.543 95 Y N -1.185 119.057 120.300 -0.095 0.000 2.521 95 Y HA 0.523 5.072 4.550 -0.000 0.000 0.332 95 Y C -2.273 173.512 175.900 -0.192 0.000 1.121 95 Y CA -1.449 56.577 58.100 -0.123 0.000 1.037 95 Y CB 0.569 38.951 38.460 -0.130 0.000 1.330 95 Y HN 0.476 nan 8.280 nan 0.000 0.452 96 Y N 2.139 122.574 120.300 0.226 0.000 2.304 96 Y HA 0.542 5.091 4.550 -0.000 0.000 0.328 96 Y C 0.102 176.211 175.900 0.348 0.000 1.123 96 Y CA -1.142 56.989 58.100 0.053 0.000 1.218 96 Y CB 1.222 39.579 38.460 -0.172 0.000 1.207 96 Y HN 0.528 nan 8.280 nan 0.000 0.495 97 V N 4.838 124.986 119.914 0.390 0.000 2.498 97 V HA 0.483 4.603 4.120 -0.000 0.000 0.279 97 V C -0.158 176.171 176.094 0.391 0.000 1.048 97 V CA -0.699 61.837 62.300 0.395 0.000 0.967 97 V CB 1.032 33.030 31.823 0.292 0.000 0.988 97 V HN 0.626 nan 8.190 nan 0.000 0.473 98 V N 2.078 122.211 119.914 0.364 0.000 2.709 98 V HA 0.956 5.076 4.120 -0.000 0.000 0.308 98 V C -0.070 176.198 176.094 0.291 0.000 1.062 98 V CA -0.985 61.507 62.300 0.320 0.000 0.901 98 V CB 1.678 33.683 31.823 0.304 0.000 1.003 98 V HN 1.025 nan 8.190 nan 0.000 0.425 99 A N 5.531 128.524 122.820 0.288 0.000 2.309 99 A HA 0.814 5.134 4.320 -0.000 0.000 0.290 99 A C -0.331 177.299 177.584 0.076 0.000 1.206 99 A CA -0.336 51.854 52.037 0.254 0.000 0.850 99 A CB 0.651 19.874 19.000 0.372 0.000 1.118 99 A HN 1.266 nan 8.150 nan 0.000 0.523 100 M N 3.056 122.621 119.600 -0.058 0.000 2.472 100 M HA 0.775 5.255 4.480 -0.000 0.000 0.331 100 M C -0.247 175.999 176.300 -0.090 0.000 1.170 100 M CA 0.038 55.302 55.300 -0.061 0.000 1.009 100 M CB 1.683 34.218 32.600 -0.107 0.000 1.672 100 M HN 1.159 nan 8.290 nan 0.000 0.453 101 A N 2.886 125.706 122.820 0.000 0.000 2.557 101 A HA 0.682 5.002 4.320 -0.000 0.000 0.292 101 A C -1.506 176.197 177.584 0.199 0.000 1.139 101 A CA -0.998 51.072 52.037 0.056 0.000 0.665 101 A CB 1.148 20.169 19.000 0.035 0.000 1.285 101 A HN 0.713 nan 8.150 nan 0.000 0.433 102 K N 0.942 121.436 120.400 0.157 0.000 2.218 102 K HA 0.303 4.623 4.320 -0.000 0.000 0.276 102 K C -0.247 176.320 176.600 -0.055 0.000 1.022 102 K CA -0.347 55.998 56.287 0.097 0.000 0.946 102 K CB 1.079 33.596 32.500 0.030 0.000 1.000 102 K HN 0.553 nan 8.250 nan 0.000 0.468 103 K N 1.087 121.421 120.400 -0.109 0.000 2.339 103 K HA 0.099 4.419 4.320 -0.000 0.000 0.286 103 K C 0.506 177.030 176.600 -0.126 0.000 1.050 103 K CA 0.593 56.815 56.287 -0.109 0.000 0.956 103 K CB 0.416 32.855 32.500 -0.101 0.000 0.990 103 K HN 0.821 nan 8.250 nan 0.000 0.475 104 G N 2.375 111.099 108.800 -0.126 0.000 2.195 104 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.224 104 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.224 104 G C 0.741 175.568 174.900 -0.122 0.000 0.990 104 G CA 0.444 45.481 45.100 -0.106 0.000 0.639 104 G HN 0.715 nan 8.290 nan 0.000 0.514 105 T N -1.869 112.560 114.554 -0.208 0.000 2.978 105 T HA 0.409 4.759 4.350 -0.000 0.000 0.262 105 T C 2.699 177.128 174.700 -0.451 0.000 1.063 105 T CA 2.143 64.080 62.100 -0.273 0.000 1.140 105 T CB 0.119 68.742 68.868 -0.409 0.000 0.886 105 T HN 2.265 nan 8.240 nan 0.000 0.470 106 G N 2.415 110.909 108.800 -0.510 0.000 5.005 106 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.251 106 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.251 106 G C 0.143 174.818 174.900 -0.375 0.000 1.536 106 G CA -0.172 44.722 45.100 -0.344 0.000 1.060 106 G HN 1.038 nan 8.290 nan 0.000 0.683 107 F N 3.037 123.004 119.950 0.029 0.000 2.413 107 F HA 0.346 4.872 4.527 -0.000 0.000 0.416 107 F C 0.871 176.702 175.800 0.052 0.000 0.949 107 F CA 0.378 58.401 58.000 0.039 0.000 1.162 107 F CB -0.103 38.924 39.000 0.046 0.000 0.897 107 F HN 0.538 nan 8.300 nan 0.000 0.540 108 Q N 2.518 122.434 119.800 0.194 0.000 2.204 108 Q HA 0.259 4.599 4.340 -0.000 0.000 0.175 108 Q C 1.422 177.543 176.000 0.201 0.000 1.020 108 Q CA -0.793 55.094 55.803 0.139 0.000 1.078 108 Q CB 0.465 29.254 28.738 0.085 0.000 1.228 108 Q HN 0.836 nan 8.270 nan 0.000 0.550 109 L N 1.226 122.542 121.223 0.156 0.000 2.191 109 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 109 L C 1.742 178.717 176.870 0.175 0.000 1.103 109 L CA 1.918 56.862 54.840 0.174 0.000 0.769 109 L CB -0.641 41.489 42.059 0.117 0.000 0.908 109 L HN 0.585 nan 8.230 nan 0.000 0.438 110 N N -0.365 118.418 118.700 0.138 0.000 2.092 110 N HA -0.157 4.583 4.740 -0.000 0.000 0.189 110 N C 0.685 176.278 175.510 0.137 0.000 1.040 110 N CA 0.989 54.112 53.050 0.121 0.000 0.845 110 N CB -0.134 38.401 38.487 0.079 0.000 1.017 110 N HN 0.334 nan 8.380 nan 0.000 0.426 111 Q N 0.423 120.303 119.800 0.134 0.000 3.151 111 Q HA 0.212 4.552 4.340 -0.000 0.000 0.277 111 Q C -0.294 175.768 176.000 0.104 0.000 1.343 111 Q CA 0.353 56.218 55.803 0.103 0.000 0.925 111 Q CB -0.219 28.595 28.738 0.126 0.000 1.771 111 Q HN 0.450 nan 8.270 nan 0.000 0.514 112 L N 0.050 121.337 121.223 0.108 0.000 3.014 112 L HA 0.278 4.618 4.340 -0.000 0.000 0.263 112 L C 0.029 176.765 176.870 -0.223 0.000 1.207 112 L CA -0.301 54.617 54.840 0.130 0.000 1.017 112 L CB 0.349 42.694 42.059 0.478 0.000 1.360 112 L HN 0.285 nan 8.230 nan 0.000 0.560 113 R N 1.164 121.422 120.500 -0.404 0.000 2.449 113 R HA 0.299 4.639 4.340 -0.000 0.000 0.296 113 R C 0.769 176.810 176.300 -0.431 0.000 1.047 113 R CA 0.409 56.113 56.100 -0.661 0.000 1.018 113 R CB 0.182 30.234 30.300 -0.413 0.000 0.962 113 R HN 0.250 nan 8.270 nan 0.000 0.428 114 G N 2.543 111.075 108.800 -0.446 0.000 2.392 114 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.256 114 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.256 114 G C -0.499 174.340 174.900 -0.101 0.000 0.920 114 G CA 0.143 45.126 45.100 -0.196 0.000 1.316 114 G HN 0.471 nan 8.290 nan 0.000 0.416 115 K N 0.115 120.563 120.400 0.079 0.000 2.482 115 K HA 0.647 4.967 4.320 -0.000 0.000 0.257 115 K C -0.109 176.616 176.600 0.209 0.000 0.969 115 K CA -0.941 55.414 56.287 0.113 0.000 0.842 115 K CB 1.276 33.887 32.500 0.185 0.000 1.359 115 K HN 0.237 nan 8.250 nan 0.000 0.441 116 K N 1.368 121.804 120.400 0.059 0.000 2.248 116 K HA 0.477 4.797 4.320 -0.000 0.000 0.281 116 K C -0.877 175.668 176.600 -0.092 0.000 1.054 116 K CA -0.370 55.919 56.287 0.004 0.000 0.903 116 K CB 1.438 33.924 32.500 -0.023 0.000 1.077 116 K HN 0.456 nan 8.250 nan 0.000 0.474 117 S N 1.326 116.905 115.700 -0.201 0.000 2.595 117 S HA 0.465 4.935 4.470 -0.000 0.000 0.281 117 S C -1.176 173.222 174.600 -0.336 0.000 1.117 117 S CA -0.665 57.301 58.200 -0.389 0.000 0.873 117 S CB 1.594 64.377 63.200 -0.695 0.000 1.108 117 S HN 0.598 nan 8.310 nan 0.000 0.477 118 c N 2.161 120.486 118.600 -0.459 0.000 2.441 118 c HA 0.674 5.244 4.570 -0.000 0.000 0.318 118 c C -0.541 173.307 174.090 -0.403 0.000 1.222 118 c CA -0.554 55.570 56.329 -0.341 0.000 1.474 118 c CB 0.022 42.286 42.510 -0.410 0.000 2.125 118 c HN 0.958 nan 8.230 nan 0.000 0.479 119 H N -0.070 118.976 119.070 -0.040 0.000 2.616 119 H HA 0.399 4.955 4.556 -0.000 0.000 0.353 119 H C 1.356 176.646 175.328 -0.062 0.000 1.170 119 H CA 0.064 56.145 56.048 0.056 0.000 1.212 119 H CB 1.178 31.039 29.762 0.165 0.000 1.653 119 H HN 0.644 nan 8.280 nan 0.000 0.537 120 T N -1.283 113.278 114.554 0.013 0.000 2.857 120 T HA 0.256 4.606 4.350 -0.000 0.000 0.266 120 T C 0.922 175.298 174.700 -0.540 0.000 1.048 120 T CA 0.672 62.571 62.100 -0.334 0.000 1.139 120 T CB -0.114 68.528 68.868 -0.376 0.000 0.874 120 T HN 0.849 nan 8.240 nan 0.000 0.455 121 G N 0.364 109.017 108.800 -0.245 0.000 2.376 121 G HA2 0.397 4.357 3.960 -0.000 0.000 0.302 121 G HA3 0.397 4.357 3.960 -0.000 0.000 0.302 121 G C -1.754 173.124 174.900 -0.037 0.000 1.586 121 G CA -0.883 44.116 45.100 -0.168 0.000 0.907 121 G HN 0.442 nan 8.290 nan 0.000 0.655 122 L N 1.906 123.028 121.223 -0.168 0.000 2.500 122 L HA 0.489 4.829 4.340 -0.000 0.000 0.272 122 L C 1.495 178.334 176.870 -0.052 0.000 1.149 122 L CA 2.621 57.151 54.840 -0.518 0.000 0.897 122 L CB 0.350 42.124 42.059 -0.476 0.000 1.178 122 L HN 2.214 nan 8.230 nan 0.000 0.473 123 G N 2.717 111.509 108.800 -0.014 0.000 2.313 123 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.215 123 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.215 123 G C -0.199 175.114 174.900 0.688 0.000 1.023 123 G CA -0.120 45.286 45.100 0.510 0.000 0.626 123 G HN 0.526 nan 8.290 nan 0.000 0.503 124 W N 2.945 124.444 121.300 0.332 0.000 2.347 124 W HA 0.429 5.089 4.660 -0.000 0.000 0.333 124 W C 1.880 178.664 176.519 0.443 0.000 1.383 124 W CA 0.605 58.153 57.345 0.339 0.000 1.283 124 W CB 0.703 30.309 29.460 0.244 0.000 1.253 124 W HN 0.447 nan 8.180 nan 0.000 0.563 125 S N 1.972 118.031 115.700 0.599 0.000 2.382 125 S HA -0.242 4.228 4.470 -0.000 0.000 0.228 125 S C 1.925 176.780 174.600 0.425 0.000 1.027 125 S CA 1.130 59.647 58.200 0.529 0.000 0.991 125 S CB -0.613 62.936 63.200 0.583 0.000 0.823 125 S HN 0.573 nan 8.310 nan 0.000 0.469 126 A N 1.472 124.607 122.820 0.525 0.000 1.969 126 A HA 0.323 4.643 4.320 -0.000 0.000 0.218 126 A C 2.088 179.911 177.584 0.399 0.000 1.169 126 A CA 1.294 53.620 52.037 0.481 0.000 0.635 126 A CB -1.036 18.329 19.000 0.609 0.000 0.810 126 A HN 0.744 nan 8.150 nan 0.000 0.445 127 G N -3.876 105.193 108.800 0.450 0.000 3.735 127 G HA2 0.340 4.300 3.960 -0.000 0.000 0.283 127 G HA3 0.340 4.300 3.960 -0.000 0.000 0.283 127 G C 0.534 175.781 174.900 0.578 0.000 1.007 127 G CA 0.257 45.630 45.100 0.455 0.000 0.821 127 G HN 0.521 nan 8.290 nan 0.000 0.505 128 W N -1.142 120.238 121.300 0.134 0.000 4.757 128 W HA 0.116 4.776 4.660 -0.000 0.000 0.172 128 W C 0.910 177.321 176.519 -0.180 0.000 3.206 128 W CA -0.024 57.282 57.345 -0.065 0.000 1.735 128 W CB -0.091 29.309 29.460 -0.101 0.000 1.720 128 W HN 0.079 nan 8.180 nan 0.000 0.705 129 Y N 1.624 121.973 120.300 0.082 0.000 2.483 129 Y HA -0.148 4.402 4.550 -0.000 0.000 0.291 129 Y C 2.073 177.822 175.900 -0.252 0.000 1.143 129 Y CA 1.626 59.644 58.100 -0.137 0.000 1.289 129 Y CB -0.612 37.900 38.460 0.088 0.000 0.983 129 Y HN -0.221 nan 8.280 nan 0.000 0.556 130 V N -0.743 119.125 119.914 -0.077 0.000 2.672 130 V HA -0.013 4.106 4.120 -0.000 0.000 0.242 130 V C -0.729 175.223 176.094 -0.238 0.000 1.059 130 V CA 0.761 62.969 62.300 -0.153 0.000 1.081 130 V CB -0.998 30.785 31.823 -0.066 0.000 0.752 130 V HN 0.155 nan 8.190 nan 0.000 0.472 131 P HA -0.088 nan 4.420 nan 0.000 0.217 131 P C 1.829 178.794 177.300 -0.559 0.000 1.151 131 P CA 1.007 63.720 63.100 -0.645 0.000 0.828 131 P CB 0.064 31.131 31.700 -1.053 0.000 0.788 132 L N -1.114 119.775 121.223 -0.556 0.000 2.376 132 L HA 0.086 4.425 4.340 -0.000 0.000 0.219 132 L C 1.743 178.333 176.870 -0.467 0.000 1.133 132 L CA 1.507 55.979 54.840 -0.612 0.000 0.816 132 L CB -0.910 40.567 42.059 -0.970 0.000 0.933 132 L HN -0.149 nan 8.230 nan 0.000 0.449 133 S N -2.009 113.472 115.700 -0.365 0.000 2.679 133 S HA 0.105 4.575 4.470 -0.000 0.000 0.233 133 S C 0.859 175.324 174.600 -0.226 0.000 0.951 133 S CA 0.409 58.449 58.200 -0.266 0.000 0.973 133 S CB -0.366 62.707 63.200 -0.213 0.000 0.778 133 S HN 0.489 nan 8.310 nan 0.000 0.477 134 T N 1.857 116.253 114.554 -0.263 0.000 3.209 134 T HA 0.363 4.713 4.350 -0.000 0.000 0.295 134 T C -1.084 173.471 174.700 -0.241 0.000 0.977 134 T CA -0.280 61.698 62.100 -0.203 0.000 0.922 134 T CB 0.198 68.969 68.868 -0.161 0.000 1.152 134 T HN 0.408 nan 8.240 nan 0.000 0.527 135 L N 0.165 121.177 121.223 -0.352 0.000 3.138 135 L HA 0.527 4.867 4.340 -0.000 0.000 0.248 135 L C -1.252 175.305 176.870 -0.522 0.000 0.954 135 L CA -1.165 53.395 54.840 -0.467 0.000 1.147 135 L CB 0.052 41.622 42.059 -0.814 0.000 1.648 135 L HN 0.070 nan 8.230 nan 0.000 0.567 136 L N 0.950 122.024 121.223 -0.248 0.000 2.372 136 L HA 0.987 5.327 4.340 -0.000 0.000 0.274 136 L C -2.467 174.388 176.870 -0.025 0.000 0.988 136 L CA -1.333 53.407 54.840 -0.166 0.000 0.833 136 L CB 2.071 44.035 42.059 -0.159 0.000 1.236 136 L HN 0.395 nan 8.230 nan 0.000 0.410 137 P HA 0.188 nan 4.420 nan 0.000 0.253 137 P C 0.307 177.607 177.300 0.001 0.000 1.667 137 P CA -0.148 62.985 63.100 0.055 0.000 1.118 137 P CB 1.598 33.358 31.700 0.101 0.000 1.595 138 S N 1.370 117.063 115.700 -0.012 0.000 3.382 138 S HA -0.097 4.373 4.470 -0.000 0.000 0.293 138 S C 0.529 175.114 174.600 -0.025 0.000 1.262 138 S CA 1.259 59.448 58.200 -0.018 0.000 0.969 138 S CB -1.526 61.666 63.200 -0.013 0.000 1.136 138 S HN 1.001 nan 8.310 nan 0.000 0.635 139 G N -1.281 107.495 108.800 -0.040 0.000 2.342 139 G HA2 0.539 4.499 3.960 -0.000 0.000 0.297 139 G HA3 0.539 4.499 3.960 -0.000 0.000 0.297 139 G C -1.383 173.464 174.900 -0.089 0.000 1.313 139 G CA 0.314 45.382 45.100 -0.054 0.000 0.830 139 G HN 0.881 nan 8.290 nan 0.000 0.506 140 S N -0.656 114.983 115.700 -0.101 0.000 2.546 140 S HA 0.967 5.436 4.470 -0.000 0.000 0.274 140 S C -0.024 174.488 174.600 -0.146 0.000 1.121 140 S CA -0.575 57.536 58.200 -0.148 0.000 0.887 140 S CB 2.326 65.444 63.200 -0.138 0.000 1.094 140 S HN 1.027 nan 8.310 nan 0.000 0.474 141 R N 0.280 120.656 120.500 -0.207 0.000 4.262 141 R HA -0.094 4.245 4.340 -0.000 0.000 0.161 141 R C 0.255 176.459 176.300 -0.159 0.000 0.329 141 R CA -0.301 55.702 56.100 -0.162 0.000 0.664 141 R CB -0.912 29.342 30.300 -0.076 0.000 1.191 141 R HN 0.720 nan 8.270 nan 0.000 0.459 142 E N 0.476 120.647 120.200 -0.050 0.000 2.077 142 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 142 E C 1.305 177.629 176.600 -0.460 0.000 0.989 142 E CA 2.047 58.392 56.400 -0.092 0.000 0.800 142 E CB -0.122 29.509 29.700 -0.115 0.000 0.746 142 E HN 0.501 nan 8.360 nan 0.000 0.452 143 T N 0.914 115.152 114.554 -0.527 0.000 2.881 143 T HA -0.123 4.227 4.350 -0.000 0.000 0.270 143 T C 1.952 176.525 174.700 -0.213 0.000 1.068 143 T CA 1.062 62.858 62.100 -0.507 0.000 1.131 143 T CB -0.128 68.680 68.868 -0.099 0.000 0.871 143 T HN 0.242 nan 8.240 nan 0.000 0.479 144 A N 1.331 124.053 122.820 -0.163 0.000 1.929 144 A HA 0.344 4.664 4.320 -0.000 0.000 0.216 144 A C 2.658 180.202 177.584 -0.067 0.000 1.176 144 A CA 1.403 53.378 52.037 -0.103 0.000 0.628 144 A CB -0.983 17.934 19.000 -0.138 0.000 0.816 144 A HN 0.490 nan 8.150 nan 0.000 0.444 145 A N 0.166 122.938 122.820 -0.080 0.000 1.883 145 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 145 A C 2.453 180.178 177.584 0.234 0.000 1.186 145 A CA 2.092 54.184 52.037 0.093 0.000 0.624 145 A CB -1.019 18.064 19.000 0.139 0.000 0.822 145 A HN 1.093 nan 8.150 nan 0.000 0.444 146 A N -0.652 122.225 122.820 0.094 0.000 2.121 146 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 146 A C 2.246 179.909 177.584 0.131 0.000 1.154 146 A CA 2.221 54.345 52.037 0.146 0.000 0.679 146 A CB -0.949 18.124 19.000 0.121 0.000 0.795 146 A HN 0.774 nan 8.150 nan 0.000 0.458 147 T N -5.064 109.534 114.554 0.073 0.000 3.037 147 T HA 0.102 4.452 4.350 -0.000 0.000 0.252 147 T C 1.546 176.224 174.700 -0.037 0.000 1.073 147 T CA 0.747 62.863 62.100 0.027 0.000 1.091 147 T CB -0.356 68.519 68.868 0.011 0.000 0.935 147 T HN 0.249 nan 8.240 nan 0.000 0.488 148 F N 1.337 121.166 119.950 -0.201 0.000 2.270 148 F HA 0.419 4.946 4.527 -0.000 0.000 0.295 148 F C -0.120 175.384 175.800 -0.494 0.000 1.087 148 F CA -0.363 57.375 58.000 -0.436 0.000 1.365 148 F CB 0.291 38.855 39.000 -0.728 0.000 1.056 148 F HN 0.059 nan 8.300 nan 0.000 0.506 149 F N -0.148 119.918 119.950 0.193 0.000 2.469 149 F HA 0.248 4.775 4.527 -0.000 0.000 0.332 149 F C 1.500 177.336 175.800 0.060 0.000 1.103 149 F CA -0.409 57.670 58.000 0.132 0.000 0.979 149 F CB 1.332 40.473 39.000 0.235 0.000 1.137 149 F HN -0.165 nan 8.300 nan 0.000 0.463 150 S N 0.936 116.754 115.700 0.197 0.000 2.343 150 S HA -0.083 4.387 4.470 -0.000 0.000 0.219 150 S C 0.538 175.219 174.600 0.134 0.000 1.033 150 S CA 0.914 59.180 58.200 0.110 0.000 1.014 150 S CB -0.473 62.759 63.200 0.053 0.000 0.915 150 S HN 0.647 nan 8.310 nan 0.000 0.435 151 S N -0.447 115.336 115.700 0.138 0.000 2.575 151 S HA 0.797 5.267 4.470 -0.000 0.000 0.278 151 S C -0.871 173.785 174.600 0.094 0.000 1.139 151 S CA -0.696 57.570 58.200 0.111 0.000 0.954 151 S CB 2.132 65.374 63.200 0.069 0.000 1.054 151 S HN 0.288 nan 8.310 nan 0.000 0.483 152 S N 0.767 116.525 115.700 0.097 0.000 2.685 152 S HA 0.711 5.181 4.470 -0.000 0.000 0.282 152 S C -1.413 173.230 174.600 0.073 0.000 1.159 152 S CA -0.752 57.482 58.200 0.056 0.000 0.833 152 S CB 1.638 64.879 63.200 0.068 0.000 1.151 152 S HN 1.143 nan 8.310 nan 0.000 0.485 153 c N 2.614 121.254 118.600 0.066 0.000 2.321 153 c HA 0.768 5.338 4.570 -0.000 0.000 0.323 153 c C -0.944 173.224 174.090 0.130 0.000 1.191 153 c CA -0.178 56.203 56.329 0.086 0.000 1.455 153 c CB -1.346 41.206 42.510 0.070 0.000 2.083 153 c HN 0.572 nan 8.230 nan 0.000 0.442 154 V N 9.007 128.964 119.914 0.071 0.000 2.266 154 V HA 0.329 4.449 4.120 -0.000 0.000 0.271 154 V C -2.115 173.944 176.094 -0.060 0.000 1.032 154 V CA -1.282 61.000 62.300 -0.029 0.000 0.806 154 V CB 1.115 32.798 31.823 -0.232 0.000 1.052 154 V HN 0.730 nan 8.190 nan 0.000 0.449 155 P HA 0.123 nan 4.420 nan 0.000 0.265 155 P C 0.627 177.925 177.300 -0.003 0.000 1.187 155 P CA 0.284 63.416 63.100 0.054 0.000 0.766 155 P CB 0.292 32.129 31.700 0.229 0.000 0.820 156 c N 1.036 119.628 118.600 -0.013 0.000 5.102 156 c HA -0.092 4.478 4.570 -0.000 0.000 0.236 156 c C 0.949 174.996 174.090 -0.071 0.000 1.316 156 c CA 0.372 56.688 56.329 -0.021 0.000 1.394 156 c CB -2.540 39.993 42.510 0.038 0.000 1.902 156 c HN 0.784 nan 8.230 nan 0.000 0.644 157 A N 0.389 123.151 122.820 -0.096 0.000 2.305 157 A HA 0.581 4.901 4.320 -0.000 0.000 0.322 157 A C -0.231 177.357 177.584 0.006 0.000 1.187 157 A CA 0.229 52.211 52.037 -0.092 0.000 0.825 157 A CB 0.401 19.300 19.000 -0.168 0.000 1.164 157 A HN 0.454 nan 8.150 nan 0.000 0.498 158 D N 2.178 122.613 120.400 0.057 0.000 2.412 158 D HA 0.297 4.937 4.640 -0.000 0.000 0.257 158 D C 1.413 177.768 176.300 0.091 0.000 1.217 158 D CA 1.368 55.409 54.000 0.070 0.000 0.897 158 D CB 0.836 41.683 40.800 0.080 0.000 1.132 158 D HN 0.476 nan 8.370 nan 0.000 0.493 159 G N 3.484 112.313 108.800 0.049 0.000 2.430 159 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 159 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 159 G C 1.474 176.384 174.900 0.018 0.000 1.146 159 G CA 0.289 45.420 45.100 0.051 0.000 0.793 159 G HN 0.393 nan 8.290 nan 0.000 0.537 160 K N -0.024 120.368 120.400 -0.012 0.000 2.009 160 K HA 0.066 4.386 4.320 -0.000 0.000 0.210 160 K C 2.381 178.907 176.600 -0.124 0.000 1.049 160 K CA 1.270 57.527 56.287 -0.050 0.000 0.929 160 K CB -0.371 32.100 32.500 -0.048 0.000 0.714 160 K HN 0.274 nan 8.250 nan 0.000 0.440 161 M N -0.818 118.664 119.600 -0.196 0.000 2.132 161 M HA -0.028 4.452 4.480 -0.000 0.000 0.263 161 M C -0.409 175.381 176.300 -0.849 0.000 1.065 161 M CA 1.526 56.506 55.300 -0.533 0.000 1.122 161 M CB 0.427 32.667 32.600 -0.600 0.000 1.365 161 M HN -0.024 nan 8.290 nan 0.000 0.411 162 F N -0.991 118.976 119.950 0.028 0.000 2.691 162 F HA 0.354 4.881 4.527 -0.000 0.000 0.371 162 F C -2.118 173.705 175.800 0.039 0.000 1.159 162 F CA -1.986 56.038 58.000 0.041 0.000 1.174 162 F CB 0.382 39.417 39.000 0.057 0.000 1.419 162 F HN -0.073 nan 8.300 nan 0.000 0.514 163 P HA -0.171 nan 4.420 nan 0.000 0.216 163 P C 1.475 178.848 177.300 0.122 0.000 1.150 163 P CA 1.462 64.618 63.100 0.093 0.000 0.843 163 P CB 0.230 31.963 31.700 0.056 0.000 0.787 164 S N -1.163 114.630 115.700 0.155 0.000 2.571 164 S HA -0.040 4.430 4.470 -0.000 0.000 0.245 164 S C 1.385 176.081 174.600 0.160 0.000 0.976 164 S CA 0.801 59.093 58.200 0.152 0.000 0.954 164 S CB -0.812 62.490 63.200 0.170 0.000 0.756 164 S HN 0.178 nan 8.310 nan 0.000 0.535 165 L N -1.128 120.196 121.223 0.168 0.000 2.693 165 L HA 0.260 4.600 4.340 -0.000 0.000 0.235 165 L C 0.978 177.906 176.870 0.096 0.000 1.127 165 L CA 0.047 54.968 54.840 0.136 0.000 0.914 165 L CB 0.483 42.625 42.059 0.138 0.000 1.193 165 L HN 0.349 nan 8.230 nan 0.000 0.502 166 c N -1.012 117.645 118.600 0.096 0.000 3.919 166 c HA 0.006 4.576 4.570 -0.000 0.000 0.422 166 c C 2.429 176.564 174.090 0.076 0.000 1.533 166 c CA -0.168 56.206 56.329 0.075 0.000 2.014 166 c CB 0.329 42.876 42.510 0.060 0.000 2.967 166 c HN 0.574 nan 8.230 nan 0.000 0.692 167 Q N 0.477 120.323 119.800 0.076 0.000 2.226 167 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 167 Q C 1.702 177.747 176.000 0.076 0.000 0.975 167 Q CA 1.435 57.279 55.803 0.068 0.000 0.866 167 Q CB -0.364 28.412 28.738 0.062 0.000 0.915 167 Q HN 0.510 nan 8.270 nan 0.000 0.440 168 L N 0.807 122.078 121.223 0.079 0.000 2.610 168 L HA 0.137 4.477 4.340 -0.000 0.000 0.232 168 L C -0.171 176.799 176.870 0.167 0.000 1.149 168 L CA 0.127 55.011 54.840 0.074 0.000 0.872 168 L CB 0.195 42.260 42.059 0.011 0.000 0.992 168 L HN 0.304 nan 8.230 nan 0.000 0.447 169 c N 1.215 119.935 118.600 0.200 0.000 2.482 169 c HA 0.530 5.100 4.570 -0.000 0.000 0.378 169 c C 1.228 175.431 174.090 0.188 0.000 1.284 169 c CA -0.756 55.765 56.329 0.320 0.000 1.826 169 c CB -0.605 42.004 42.510 0.165 0.000 2.473 169 c HN 0.517 nan 8.230 nan 0.000 0.562 170 A N 3.357 126.230 122.820 0.088 0.000 3.157 170 A HA 0.580 4.899 4.320 -0.000 0.000 0.276 170 A C 0.654 178.076 177.584 -0.270 0.000 1.524 170 A CA -0.088 51.876 52.037 -0.122 0.000 1.236 170 A CB -0.412 18.537 19.000 -0.086 0.000 1.173 170 A HN 1.087 nan 8.150 nan 0.000 0.595 171 G N 1.530 110.235 108.800 -0.157 0.000 2.805 171 G HA2 0.473 4.433 3.960 -0.000 0.000 0.283 171 G HA3 0.473 4.433 3.960 -0.000 0.000 0.283 171 G C -0.240 174.613 174.900 -0.078 0.000 1.508 171 G CA -0.732 44.283 45.100 -0.142 0.000 1.042 171 G HN 0.711 nan 8.290 nan 0.000 0.543 172 K N 1.706 122.067 120.400 -0.065 0.000 2.180 172 K HA 0.755 5.075 4.320 -0.000 0.000 0.251 172 K C 0.916 177.493 176.600 -0.038 0.000 1.014 172 K CA 0.284 56.546 56.287 -0.041 0.000 0.913 172 K CB 0.936 33.416 32.500 -0.033 0.000 1.008 172 K HN 1.485 nan 8.250 nan 0.000 0.490 173 G N 0.408 109.191 108.800 -0.028 0.000 2.542 173 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.235 173 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.235 173 G C 0.511 175.395 174.900 -0.027 0.000 1.286 173 G CA 0.029 45.114 45.100 -0.026 0.000 0.904 173 G HN 0.615 nan 8.290 nan 0.000 0.577 174 T N 0.732 115.269 114.554 -0.029 0.000 3.085 174 T HA 0.118 4.468 4.350 -0.000 0.000 0.263 174 T C 1.363 176.039 174.700 -0.040 0.000 1.127 174 T CA 1.642 63.724 62.100 -0.030 0.000 1.103 174 T CB -0.201 68.650 68.868 -0.029 0.000 0.921 174 T HN 0.496 nan 8.240 nan 0.000 0.510 175 D N 1.224 121.596 120.400 -0.046 0.000 2.338 175 D HA 0.017 4.657 4.640 -0.000 0.000 0.239 175 D C 0.863 177.126 176.300 -0.061 0.000 1.095 175 D CA 0.320 54.282 54.000 -0.062 0.000 0.888 175 D CB -0.023 40.737 40.800 -0.067 0.000 0.899 175 D HN 0.132 nan 8.370 nan 0.000 0.525 176 K N 0.760 121.134 120.400 -0.043 0.000 2.351 176 K HA 0.035 4.355 4.320 -0.000 0.000 0.287 176 K C 0.127 176.714 176.600 -0.021 0.000 1.068 176 K CA 0.008 56.278 56.287 -0.029 0.000 0.998 176 K CB -0.170 32.320 32.500 -0.016 0.000 0.968 176 K HN 0.167 nan 8.250 nan 0.000 0.464 177 c N 2.578 121.170 118.600 -0.013 0.000 4.456 177 c HA -0.215 4.355 4.570 -0.000 0.000 0.288 177 c C 0.794 174.865 174.090 -0.031 0.000 1.374 177 c CA 0.289 56.620 56.329 0.003 0.000 1.956 177 c CB -2.231 40.288 42.510 0.015 0.000 1.255 177 c HN 0.884 nan 8.230 nan 0.000 0.788 178 A N -0.427 122.350 122.820 -0.071 0.000 2.492 178 A HA 0.327 4.647 4.320 -0.000 0.000 0.236 178 A C 1.099 178.554 177.584 -0.215 0.000 1.078 178 A CA 0.791 52.748 52.037 -0.133 0.000 0.773 178 A CB 0.101 19.005 19.000 -0.160 0.000 1.023 178 A HN 1.460 nan 8.150 nan 0.000 0.504 179 c N 1.313 119.750 118.600 -0.273 0.000 2.525 179 c HA 0.538 5.108 4.570 -0.000 0.000 0.313 179 c C 0.987 174.542 174.090 -0.893 0.000 1.311 179 c CA 0.190 56.300 56.329 -0.364 0.000 1.725 179 c CB -2.503 39.944 42.510 -0.106 0.000 1.926 179 c HN 0.744 nan 8.230 nan 0.000 0.595 180 S N -1.103 113.985 115.700 -1.020 0.000 2.811 180 S HA 0.308 4.778 4.470 -0.000 0.000 0.311 180 S C 0.802 174.942 174.600 -0.766 0.000 1.152 180 S CA -0.362 57.279 58.200 -0.931 0.000 0.864 180 S CB 1.675 64.673 63.200 -0.337 0.000 1.226 180 S HN 0.275 nan 8.310 nan 0.000 0.541 181 S N 0.921 116.537 115.700 -0.140 0.000 2.607 181 S HA 0.030 4.500 4.470 -0.000 0.000 0.224 181 S C 1.625 176.233 174.600 0.013 0.000 0.969 181 S CA 0.218 58.499 58.200 0.136 0.000 0.927 181 S CB -0.180 63.211 63.200 0.319 0.000 0.772 181 S HN 0.380 nan 8.310 nan 0.000 0.533 182 R N 1.238 121.697 120.500 -0.069 0.000 2.148 182 R HA 0.063 4.403 4.340 -0.000 0.000 0.227 182 R C 0.560 176.806 176.300 -0.091 0.000 1.103 182 R CA 0.656 56.720 56.100 -0.060 0.000 0.983 182 R CB -0.022 30.231 30.300 -0.078 0.000 0.874 182 R HN 0.255 nan 8.270 nan 0.000 0.451 183 E N 0.973 121.104 120.200 -0.114 0.000 2.130 183 E HA 0.109 4.458 4.350 -0.000 0.000 0.284 183 E C -1.907 174.599 176.600 -0.157 0.000 1.018 183 E CA -2.449 53.878 56.400 -0.122 0.000 0.817 183 E CB 1.597 31.255 29.700 -0.070 0.000 1.078 183 E HN -0.119 nan 8.360 nan 0.000 0.396 184 P HA -0.152 nan 4.420 nan 0.000 0.218 184 P C 0.172 177.257 177.300 -0.357 0.000 1.146 184 P CA 1.266 64.125 63.100 -0.401 0.000 0.820 184 P CB 0.077 31.430 31.700 -0.579 0.000 0.778 185 Y N -3.243 116.975 120.300 -0.137 0.000 2.493 185 Y HA 0.271 4.821 4.550 -0.000 0.000 0.275 185 Y C 0.806 176.615 175.900 -0.151 0.000 1.183 185 Y CA -1.576 56.429 58.100 -0.158 0.000 1.258 185 Y CB -1.219 37.181 38.460 -0.100 0.000 1.108 185 Y HN -0.099 nan 8.280 nan 0.000 0.521 186 F N 1.256 121.095 119.950 -0.185 0.000 2.429 186 F HA 0.525 5.051 4.527 -0.000 0.000 0.348 186 F C 0.975 176.566 175.800 -0.350 0.000 1.109 186 F CA 0.575 58.436 58.000 -0.231 0.000 1.232 186 F CB 0.246 39.143 39.000 -0.172 0.000 1.157 186 F HN 0.294 nan 8.300 nan 0.000 0.564 187 G N 3.458 111.502 108.800 -1.260 0.000 2.760 187 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.246 187 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.246 187 G C 0.462 175.044 174.900 -0.530 0.000 1.359 187 G CA -0.087 44.390 45.100 -1.039 0.000 0.861 187 G HN 1.483 nan 8.290 nan 0.000 0.541 188 S N -1.162 114.379 115.700 -0.265 0.000 2.395 188 S HA -0.041 4.429 4.470 -0.000 0.000 0.225 188 S C 1.932 176.511 174.600 -0.036 0.000 1.027 188 S CA 2.039 60.176 58.200 -0.105 0.000 0.965 188 S CB -0.380 62.804 63.200 -0.027 0.000 0.812 188 S HN 1.586 nan 8.310 nan 0.000 0.482 189 W N 2.075 123.278 121.300 -0.162 0.000 2.678 189 W HA 0.438 5.098 4.660 -0.000 0.000 0.256 189 W C 1.628 178.098 176.519 -0.081 0.000 1.280 189 W CA 0.355 57.627 57.345 -0.120 0.000 1.345 189 W CB -1.341 28.054 29.460 -0.109 0.000 1.118 189 W HN 0.378 nan 8.180 nan 0.000 0.629 190 G N 0.795 109.177 108.800 -0.697 0.000 2.539 190 G HA2 0.103 4.062 3.960 -0.000 0.000 0.215 190 G HA3 0.103 4.062 3.960 -0.000 0.000 0.215 190 G C 1.700 176.466 174.900 -0.224 0.000 1.141 190 G CA 0.820 45.556 45.100 -0.608 0.000 0.806 190 G HN 0.280 nan 8.290 nan 0.000 0.533 191 A N 0.191 122.877 122.820 -0.222 0.000 2.123 191 A HA 0.376 4.695 4.320 -0.000 0.000 0.214 191 A C 2.179 179.647 177.584 -0.194 0.000 1.152 191 A CA 0.351 52.274 52.037 -0.191 0.000 0.728 191 A CB -0.153 18.733 19.000 -0.190 0.000 0.814 191 A HN 0.324 nan 8.150 nan 0.000 0.464 192 L N -1.035 120.094 121.223 -0.155 0.000 2.270 192 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 192 L C 2.427 179.224 176.870 -0.121 0.000 1.104 192 L CA 1.208 55.957 54.840 -0.152 0.000 0.804 192 L CB -0.147 41.847 42.059 -0.108 0.000 0.937 192 L HN 0.393 nan 8.230 nan 0.000 0.450 193 K N -0.421 119.936 120.400 -0.072 0.000 2.217 193 K HA -0.185 4.135 4.320 -0.000 0.000 0.202 193 K C 2.331 178.957 176.600 0.044 0.000 1.051 193 K CA 1.133 57.420 56.287 0.000 0.000 0.952 193 K CB -0.110 32.394 32.500 0.006 0.000 0.736 193 K HN 0.403 nan 8.250 nan 0.000 0.453 194 c N 0.435 118.998 118.600 -0.061 0.000 2.453 194 c HA -0.035 4.535 4.570 -0.000 0.000 0.277 194 c C 2.380 176.345 174.090 -0.209 0.000 1.262 194 c CA 0.539 56.668 56.329 -0.333 0.000 1.718 194 c CB -0.848 41.138 42.510 -0.873 0.000 2.031 194 c HN 0.610 nan 8.230 nan 0.000 0.480 195 L N 1.081 122.193 121.223 -0.185 0.000 2.141 195 L HA -0.022 4.318 4.340 -0.000 0.000 0.209 195 L C 2.567 179.441 176.870 0.006 0.000 1.094 195 L CA 2.043 56.819 54.840 -0.106 0.000 0.763 195 L CB -0.973 40.990 42.059 -0.159 0.000 0.908 195 L HN 0.419 nan 8.230 nan 0.000 0.437 196 Q N -0.385 119.407 119.800 -0.013 0.000 2.167 196 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 196 Q C 1.687 177.739 176.000 0.086 0.000 0.970 196 Q CA 1.797 57.645 55.803 0.075 0.000 0.855 196 Q CB -0.159 28.601 28.738 0.037 0.000 0.911 196 Q HN 0.520 nan 8.270 nan 0.000 0.438 197 D N -1.418 119.017 120.400 0.059 0.000 2.317 197 D HA 0.033 4.673 4.640 -0.000 0.000 0.211 197 D C 0.786 177.117 176.300 0.051 0.000 0.966 197 D CA 1.075 55.117 54.000 0.071 0.000 0.876 197 D CB 0.082 40.953 40.800 0.119 0.000 0.927 197 D HN 0.462 nan 8.370 nan 0.000 0.519 198 G N 0.725 109.547 108.800 0.037 0.000 2.153 198 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.252 198 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.252 198 G C 1.154 176.058 174.900 0.006 0.000 0.994 198 G CA 0.949 46.069 45.100 0.033 0.000 0.698 198 G HN 0.318 nan 8.290 nan 0.000 0.521 199 T N -0.466 114.070 114.554 -0.029 0.000 3.023 199 T HA 0.498 4.848 4.350 -0.000 0.000 0.266 199 T C 1.262 175.907 174.700 -0.091 0.000 1.093 199 T CA 1.865 63.935 62.100 -0.050 0.000 1.129 199 T CB 0.198 69.019 68.868 -0.079 0.000 0.899 199 T HN 1.558 nan 8.240 nan 0.000 0.491 200 A N 0.578 123.327 122.820 -0.118 0.000 2.485 200 A HA 0.642 4.962 4.320 -0.000 0.000 0.292 200 A C -0.462 177.090 177.584 -0.054 0.000 1.147 200 A CA -0.701 51.265 52.037 -0.119 0.000 0.750 200 A CB 1.155 20.022 19.000 -0.222 0.000 1.331 200 A HN 0.055 nan 8.150 nan 0.000 0.419 201 D N -1.099 119.285 120.400 -0.028 0.000 2.380 201 D HA 0.285 4.925 4.640 -0.000 0.000 0.212 201 D C -0.006 176.328 176.300 0.057 0.000 1.021 201 D CA 0.986 55.036 54.000 0.084 0.000 0.884 201 D CB 0.567 41.447 40.800 0.133 0.000 1.001 201 D HN 0.283 nan 8.370 nan 0.000 0.506 202 V N -0.086 119.766 119.914 -0.104 0.000 2.789 202 V HA 0.660 4.780 4.120 -0.000 0.000 0.311 202 V C -0.501 175.257 176.094 -0.560 0.000 1.073 202 V CA -0.870 61.258 62.300 -0.287 0.000 0.921 202 V CB 2.223 33.870 31.823 -0.293 0.000 1.009 202 V HN -0.191 nan 8.190 nan 0.000 0.426 203 S N 3.040 118.348 115.700 -0.654 0.000 2.736 203 S HA 0.689 5.158 4.470 -0.000 0.000 0.285 203 S C -1.059 173.169 174.600 -0.620 0.000 1.163 203 S CA -0.359 57.460 58.200 -0.635 0.000 1.025 203 S CB 0.847 63.824 63.200 -0.372 0.000 1.030 203 S HN 0.469 nan 8.310 nan 0.000 0.486 204 F N 3.277 123.119 119.950 -0.180 0.000 2.424 204 F HA 0.596 5.123 4.527 -0.000 0.000 0.356 204 F C 0.754 176.547 175.800 -0.013 0.000 1.110 204 F CA -0.597 57.370 58.000 -0.056 0.000 1.161 204 F CB 0.740 39.721 39.000 -0.032 0.000 1.115 204 F HN 0.362 nan 8.300 nan 0.000 0.507 205 V N -0.305 119.722 119.914 0.189 0.000 3.076 205 V HA 0.640 4.760 4.120 -0.000 0.000 0.311 205 V C -0.733 175.491 176.094 0.217 0.000 1.346 205 V CA -1.590 60.794 62.300 0.139 0.000 1.056 205 V CB 1.758 33.600 31.823 0.031 0.000 1.093 205 V HN 0.536 nan 8.190 nan 0.000 0.468 206 K N 0.526 121.018 120.400 0.152 0.000 2.090 206 K HA 0.417 4.737 4.320 -0.000 0.000 0.249 206 K C 1.137 177.835 176.600 0.164 0.000 0.995 206 K CA -0.039 56.360 56.287 0.188 0.000 0.914 206 K CB 0.573 33.025 32.500 -0.080 0.000 1.057 206 K HN 0.978 nan 8.250 nan 0.000 0.462 207 H N 1.603 120.773 119.070 0.167 0.000 2.436 207 H HA -0.021 4.535 4.556 -0.000 0.000 0.294 207 H C 1.407 176.749 175.328 0.022 0.000 1.048 207 H CA 1.210 57.354 56.048 0.161 0.000 1.353 207 H CB -0.126 29.817 29.762 0.302 0.000 1.414 207 H HN 0.450 nan 8.280 nan 0.000 0.536 208 L N 1.180 121.928 121.223 -0.792 0.000 2.027 208 L HA -0.097 4.243 4.340 -0.000 0.000 0.206 208 L C 2.619 179.049 176.870 -0.732 0.000 1.074 208 L CA 1.751 56.057 54.840 -0.890 0.000 0.745 208 L CB -0.651 40.880 42.059 -0.880 0.000 0.898 208 L HN 0.218 nan 8.230 nan 0.000 0.433 209 T N -0.827 113.468 114.554 -0.432 0.000 2.977 209 T HA -0.108 4.242 4.350 -0.000 0.000 0.271 209 T C 1.931 176.508 174.700 -0.205 0.000 1.105 209 T CA 0.841 62.772 62.100 -0.282 0.000 1.116 209 T CB -0.162 68.625 68.868 -0.135 0.000 0.878 209 T HN 0.064 nan 8.240 nan 0.000 0.509 210 V N 1.710 121.528 119.914 -0.161 0.000 2.283 210 V HA -0.061 4.059 4.120 -0.000 0.000 0.243 210 V C 1.909 178.007 176.094 0.007 0.000 1.039 210 V CA 1.587 63.864 62.300 -0.039 0.000 1.016 210 V CB -0.623 31.240 31.823 0.066 0.000 0.650 210 V HN 0.740 nan 8.190 nan 0.000 0.449 211 F N 0.113 120.024 119.950 -0.066 0.000 2.732 211 F HA 0.342 4.869 4.527 -0.000 0.000 0.303 211 F C 1.771 177.540 175.800 -0.051 0.000 1.110 211 F CA 0.414 58.387 58.000 -0.044 0.000 1.355 211 F CB -0.439 38.537 39.000 -0.039 0.000 1.081 211 F HN 0.188 nan 8.300 nan 0.000 0.565 212 E N 1.223 121.154 120.200 -0.448 0.000 2.250 212 E HA 0.294 4.644 4.350 -0.000 0.000 0.192 212 E C 0.255 176.763 176.600 -0.153 0.000 0.986 212 E CA 0.353 56.532 56.400 -0.369 0.000 0.849 212 E CB 0.224 29.655 29.700 -0.448 0.000 0.797 212 E HN 0.379 nan 8.360 nan 0.000 0.482 213 A N 1.279 124.041 122.820 -0.096 0.000 2.319 213 A HA 0.656 4.976 4.320 -0.000 0.000 0.310 213 A C -0.803 176.789 177.584 0.012 0.000 1.152 213 A CA -0.596 51.424 52.037 -0.029 0.000 0.783 213 A CB 0.807 19.806 19.000 -0.002 0.000 1.184 213 A HN 0.185 nan 8.150 nan 0.000 0.474 214 M N 4.521 124.139 119.600 0.029 0.000 2.224 214 M HA 0.304 4.784 4.480 -0.000 0.000 0.281 214 M C -1.650 174.680 176.300 0.049 0.000 1.025 214 M CA -1.325 54.006 55.300 0.051 0.000 0.954 214 M CB 2.554 35.195 32.600 0.068 0.000 1.639 214 M HN 0.655 nan 8.290 nan 0.000 0.461 215 P HA -0.068 nan 4.420 nan 0.000 0.214 215 P C 0.865 178.194 177.300 0.048 0.000 1.162 215 P CA 1.634 64.766 63.100 0.053 0.000 0.874 215 P CB 0.095 31.833 31.700 0.064 0.000 0.784 216 T N -3.037 111.550 114.554 0.055 0.000 3.555 216 T HA 0.279 4.628 4.350 -0.000 0.000 0.201 216 T C 1.719 176.446 174.700 0.046 0.000 0.850 216 T CA 1.009 63.136 62.100 0.046 0.000 1.646 216 T CB 0.316 69.210 68.868 0.044 0.000 1.774 216 T HN 0.068 nan 8.240 nan 0.000 0.447 217 K N 0.133 120.563 120.400 0.051 0.000 3.157 217 K HA 0.535 4.855 4.320 -0.000 0.000 0.227 217 K C 1.266 177.901 176.600 0.058 0.000 2.067 217 K CA 0.484 56.801 56.287 0.050 0.000 1.439 217 K CB -0.436 32.087 32.500 0.039 0.000 2.372 217 K HN 0.382 nan 8.250 nan 0.000 0.557 218 A N 1.356 124.207 122.820 0.053 0.000 2.462 218 A HA 0.148 4.468 4.320 -0.000 0.000 0.261 218 A C 0.957 178.584 177.584 0.071 0.000 1.323 218 A CA 0.469 52.540 52.037 0.056 0.000 0.913 218 A CB -0.344 18.680 19.000 0.038 0.000 1.028 218 A HN 0.481 nan 8.150 nan 0.000 0.511 219 D N 1.231 121.684 120.400 0.089 0.000 2.264 219 D HA -0.164 4.476 4.640 -0.000 0.000 0.208 219 D C 1.990 178.415 176.300 0.208 0.000 0.966 219 D CA 0.991 55.067 54.000 0.127 0.000 0.864 219 D CB 0.142 41.021 40.800 0.132 0.000 0.933 219 D HN 0.550 nan 8.370 nan 0.000 0.499 220 R N 0.809 121.409 120.500 0.167 0.000 2.148 220 R HA -0.094 4.246 4.340 -0.000 0.000 0.223 220 R C 1.260 177.677 176.300 0.195 0.000 1.088 220 R CA 0.987 57.197 56.100 0.183 0.000 0.985 220 R CB -1.103 29.282 30.300 0.141 0.000 0.880 220 R HN 0.051 nan 8.270 nan 0.000 0.451 221 D N 0.566 121.048 120.400 0.136 0.000 2.349 221 D HA -0.078 4.562 4.640 -0.000 0.000 0.224 221 D C 1.135 177.477 176.300 0.071 0.000 1.029 221 D CA 0.197 54.255 54.000 0.096 0.000 0.879 221 D CB 0.161 40.996 40.800 0.058 0.000 0.906 221 D HN 0.136 nan 8.370 nan 0.000 0.528 222 Q N -0.647 119.202 119.800 0.082 0.000 2.280 222 Q HA 0.174 4.514 4.340 -0.000 0.000 0.202 222 Q C -1.260 174.551 176.000 -0.314 0.000 0.903 222 Q CA 0.117 55.854 55.803 -0.110 0.000 0.948 222 Q CB -0.042 28.586 28.738 -0.184 0.000 1.058 222 Q HN 0.283 nan 8.270 nan 0.000 0.493 223 Y N -1.116 119.184 120.300 0.000 0.000 2.588 223 Y HA 0.451 5.001 4.550 -0.000 0.000 0.343 223 Y C 0.127 176.021 175.900 -0.010 0.000 1.065 223 Y CA -1.318 56.776 58.100 -0.010 0.000 1.038 223 Y CB 1.393 39.850 38.460 -0.004 0.000 1.297 223 Y HN -0.153 nan 8.280 nan 0.000 0.467 224 E N 1.114 121.401 120.200 0.146 0.000 2.254 224 E HA 0.511 4.861 4.350 -0.000 0.000 0.261 224 E C -1.534 175.111 176.600 0.076 0.000 1.051 224 E CA -0.874 55.565 56.400 0.065 0.000 0.902 224 E CB 2.373 32.066 29.700 -0.011 0.000 1.168 224 E HN 0.448 nan 8.360 nan 0.000 0.423 225 L N 1.719 122.977 121.223 0.058 0.000 2.409 225 L HA 0.282 4.622 4.340 -0.000 0.000 0.272 225 L C -1.486 175.421 176.870 0.061 0.000 0.980 225 L CA -0.639 54.245 54.840 0.073 0.000 0.826 225 L CB 1.385 43.501 42.059 0.096 0.000 1.268 225 L HN 0.289 nan 8.230 nan 0.000 0.407 226 L N 4.568 125.839 121.223 0.080 0.000 2.367 226 L HA 0.413 4.753 4.340 -0.000 0.000 0.275 226 L C -0.143 176.768 176.870 0.069 0.000 1.129 226 L CA 0.485 55.373 54.840 0.081 0.000 0.839 226 L CB 0.711 42.847 42.059 0.129 0.000 1.133 226 L HN 0.658 nan 8.230 nan 0.000 0.453 227 c N 2.203 120.820 118.600 0.029 0.000 2.531 227 c HA 0.372 4.942 4.570 -0.000 0.000 0.369 227 c C 1.726 175.794 174.090 -0.036 0.000 1.258 227 c CA -0.800 55.516 56.329 -0.021 0.000 1.876 227 c CB 1.392 43.871 42.510 -0.051 0.000 2.256 227 c HN 0.911 nan 8.230 nan 0.000 0.510 228 M N 2.238 121.776 119.600 -0.104 0.000 2.175 228 M HA -0.063 4.417 4.480 -0.000 0.000 0.264 228 M C 1.602 177.863 176.300 -0.065 0.000 1.063 228 M CA 1.647 56.889 55.300 -0.097 0.000 1.119 228 M CB -0.561 31.933 32.600 -0.176 0.000 1.377 228 M HN 0.810 nan 8.290 nan 0.000 0.415 229 D N -1.079 119.278 120.400 -0.071 0.000 2.346 229 D HA -0.124 4.516 4.640 -0.000 0.000 0.248 229 D C -0.138 176.148 176.300 -0.023 0.000 1.173 229 D CA 0.179 54.151 54.000 -0.046 0.000 0.878 229 D CB -1.172 39.597 40.800 -0.052 0.000 0.919 229 D HN 0.428 nan 8.370 nan 0.000 0.513 230 N N 0.192 118.885 118.700 -0.011 0.000 2.725 230 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 230 N C -1.139 174.375 175.510 0.007 0.000 1.031 230 N CA 0.976 54.032 53.050 0.010 0.000 0.720 230 N CB -1.128 37.369 38.487 0.016 0.000 0.930 230 N HN 0.344 nan 8.380 nan 0.000 0.543 231 T N 0.333 114.886 114.554 -0.002 0.000 2.901 231 T HA 0.521 4.871 4.350 -0.000 0.000 0.293 231 T C 0.183 174.880 174.700 -0.004 0.000 1.084 231 T CA -0.737 61.359 62.100 -0.006 0.000 1.008 231 T CB 1.898 70.756 68.868 -0.017 0.000 1.170 231 T HN 0.127 nan 8.240 nan 0.000 0.509 232 R N 0.706 121.201 120.500 -0.008 0.000 2.474 232 R HA 0.790 5.130 4.340 -0.000 0.000 0.295 232 R C -0.228 176.067 176.300 -0.008 0.000 0.980 232 R CA -0.810 55.285 56.100 -0.009 0.000 0.934 232 R CB 1.454 31.739 30.300 -0.023 0.000 1.101 232 R HN 0.430 nan 8.270 nan 0.000 0.469 233 R N 2.291 122.792 120.500 0.001 0.000 2.643 233 R HA 0.337 4.677 4.340 -0.000 0.000 0.269 233 R C -2.743 173.568 176.300 0.018 0.000 1.037 233 R CA -2.001 54.099 56.100 0.001 0.000 0.894 233 R CB 2.025 32.319 30.300 -0.010 0.000 1.238 233 R HN 0.381 nan 8.270 nan 0.000 0.459 234 P HA -0.143 nan 4.420 nan 0.000 0.268 234 P C 0.818 178.155 177.300 0.063 0.000 1.189 234 P CA -0.015 63.107 63.100 0.036 0.000 0.771 234 P CB 0.530 32.245 31.700 0.025 0.000 0.822 235 V N 0.050 120.016 119.914 0.087 0.000 2.307 235 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 235 V C 2.014 178.197 176.094 0.149 0.000 1.045 235 V CA 1.915 64.291 62.300 0.126 0.000 1.024 235 V CB -1.539 30.365 31.823 0.136 0.000 0.651 235 V HN 0.383 nan 8.190 nan 0.000 0.449 236 E N 1.581 121.847 120.200 0.110 0.000 2.284 236 E HA -0.220 4.130 4.350 -0.000 0.000 0.200 236 E C 1.058 177.736 176.600 0.130 0.000 1.008 236 E CA 1.379 57.842 56.400 0.105 0.000 0.829 236 E CB -0.479 29.252 29.700 0.051 0.000 0.744 236 E HN 0.857 nan 8.360 nan 0.000 0.491 237 E N -0.253 119.996 120.200 0.081 0.000 2.026 237 E HA 0.049 4.399 4.350 -0.000 0.000 0.253 237 E C -0.204 176.408 176.600 0.020 0.000 1.056 237 E CA -0.298 56.096 56.400 -0.011 0.000 0.927 237 E CB 0.134 29.813 29.700 -0.034 0.000 1.172 237 E HN 0.454 nan 8.360 nan 0.000 0.445 238 Y N 0.432 120.741 120.300 0.015 0.000 2.509 238 Y HA 0.217 4.767 4.550 -0.000 0.000 0.270 238 Y C 1.885 177.717 175.900 -0.113 0.000 1.103 238 Y CA 0.036 58.157 58.100 0.036 0.000 1.278 238 Y CB 0.067 38.617 38.460 0.149 0.000 1.087 238 Y HN 0.224 nan 8.280 nan 0.000 0.542 239 E N 2.128 121.732 120.200 -0.993 0.000 2.015 239 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 239 E C 1.656 178.066 176.600 -0.316 0.000 0.991 239 E CA 2.047 57.950 56.400 -0.829 0.000 0.802 239 E CB -0.287 28.981 29.700 -0.720 0.000 0.759 239 E HN 0.728 nan 8.360 nan 0.000 0.447 240 Q N -0.825 118.830 119.800 -0.241 0.000 2.225 240 Q HA 0.172 4.511 4.340 -0.000 0.000 0.222 240 Q C -0.676 175.224 176.000 -0.166 0.000 0.887 240 Q CA -0.044 55.663 55.803 -0.161 0.000 0.958 240 Q CB -0.164 28.496 28.738 -0.131 0.000 1.058 240 Q HN 0.157 nan 8.270 nan 0.000 0.459 241 c N 1.279 119.797 118.600 -0.137 0.000 3.226 241 c HA 0.546 5.116 4.570 -0.000 0.000 0.365 241 c C -1.673 172.429 174.090 0.021 0.000 1.027 241 c CA -0.648 55.616 56.329 -0.109 0.000 1.319 241 c CB -0.391 42.101 42.510 -0.030 0.000 1.718 241 c HN 0.605 nan 8.230 nan 0.000 0.554 242 Y N 2.648 122.951 120.300 0.006 0.000 2.597 242 Y HA 0.716 5.266 4.550 -0.000 0.000 0.340 242 Y C -0.032 175.919 175.900 0.084 0.000 1.097 242 Y CA -1.503 56.643 58.100 0.078 0.000 1.037 242 Y CB 0.472 38.985 38.460 0.089 0.000 1.305 242 Y HN 0.237 nan 8.280 nan 0.000 0.463 243 L N 1.785 123.224 121.223 0.361 0.000 2.179 243 L HA 0.653 4.992 4.340 -0.000 0.000 0.208 243 L C 0.358 177.409 176.870 0.301 0.000 1.096 243 L CA 1.485 56.463 54.840 0.230 0.000 0.779 243 L CB -0.473 41.702 42.059 0.192 0.000 0.922 243 L HN 1.091 nan 8.230 nan 0.000 0.443 244 A N -1.128 121.996 122.820 0.507 0.000 2.574 244 A HA 0.394 4.714 4.320 -0.000 0.000 0.298 244 A C -0.948 176.694 177.584 0.096 0.000 0.987 244 A CA -0.731 51.513 52.037 0.344 0.000 0.678 244 A CB 0.363 19.427 19.000 0.108 0.000 1.296 244 A HN 0.016 nan 8.150 nan 0.000 0.420 245 R N 1.110 121.540 120.500 -0.116 0.000 2.265 245 R HA 0.634 4.974 4.340 -0.000 0.000 0.319 245 R C -0.617 175.515 176.300 -0.281 0.000 1.006 245 R CA 0.003 55.918 56.100 -0.309 0.000 0.880 245 R CB 0.955 30.995 30.300 -0.434 0.000 1.077 245 R HN 1.326 nan 8.270 nan 0.000 0.454 246 V N 2.112 121.799 119.914 -0.379 0.000 2.769 246 V HA 0.637 4.757 4.120 -0.000 0.000 0.312 246 V C -2.654 173.168 176.094 -0.453 0.000 1.061 246 V CA -2.949 59.152 62.300 -0.332 0.000 0.931 246 V CB 1.685 33.365 31.823 -0.240 0.000 1.010 246 V HN 0.666 nan 8.190 nan 0.000 0.433 247 P HA 0.238 nan 4.420 nan 0.000 0.272 247 P C 0.111 177.483 177.300 0.120 0.000 1.223 247 P CA 0.073 63.017 63.100 -0.261 0.000 0.784 247 P CB 0.443 31.747 31.700 -0.660 0.000 0.923 248 S N 1.229 117.222 115.700 0.489 0.000 2.596 248 S HA 0.101 4.571 4.470 -0.000 0.000 0.260 248 S C 0.201 175.227 174.600 0.710 0.000 1.336 248 S CA -0.345 58.342 58.200 0.812 0.000 0.993 248 S CB -0.173 63.473 63.200 0.743 0.000 0.923 248 S HN 0.390 nan 8.310 nan 0.000 0.567 249 H N -0.315 119.047 119.070 0.487 0.000 2.707 249 H HA 0.434 4.989 4.556 -0.000 0.000 0.359 249 H C 0.219 175.642 175.328 0.159 0.000 1.113 249 H CA -0.252 55.950 56.048 0.257 0.000 1.422 249 H CB 0.924 30.779 29.762 0.154 0.000 1.443 249 H HN 0.607 nan 8.280 nan 0.000 0.591 250 V N 0.233 120.197 119.914 0.084 0.000 2.919 250 V HA 0.396 4.516 4.120 -0.000 0.000 0.316 250 V C 0.021 176.096 176.094 -0.031 0.000 1.077 250 V CA -1.065 61.200 62.300 -0.058 0.000 0.977 250 V CB 1.815 33.415 31.823 -0.373 0.000 1.039 250 V HN 0.379 nan 8.190 nan 0.000 0.441 251 V N 3.279 123.186 119.914 -0.011 0.000 2.364 251 V HA 0.459 4.579 4.120 -0.000 0.000 0.272 251 V C 0.287 176.324 176.094 -0.094 0.000 1.036 251 V CA -0.227 62.070 62.300 -0.006 0.000 0.880 251 V CB 1.175 33.088 31.823 0.149 0.000 0.991 251 V HN 0.932 nan 8.190 nan 0.000 0.460 252 V N 2.877 122.701 119.914 -0.150 0.000 2.617 252 V HA 1.037 5.157 4.120 -0.000 0.000 0.298 252 V C 0.127 176.132 176.094 -0.149 0.000 1.048 252 V CA -0.273 61.936 62.300 -0.151 0.000 0.964 252 V CB 1.230 32.962 31.823 -0.151 0.000 1.004 252 V HN 1.052 nan 8.190 nan 0.000 0.466 253 A N 3.932 126.684 122.820 -0.113 0.000 2.564 253 A HA 0.820 5.140 4.320 -0.000 0.000 0.288 253 A C -0.371 177.166 177.584 -0.078 0.000 1.164 253 A CA -1.255 50.726 52.037 -0.092 0.000 0.712 253 A CB 1.459 20.424 19.000 -0.059 0.000 1.303 253 A HN 0.874 nan 8.150 nan 0.000 0.418 254 R N 0.416 120.878 120.500 -0.063 0.000 2.490 254 R HA 0.329 4.669 4.340 -0.000 0.000 0.278 254 R C 1.370 177.637 176.300 -0.054 0.000 1.069 254 R CA 0.418 56.485 56.100 -0.056 0.000 1.080 254 R CB 1.022 31.294 30.300 -0.046 0.000 1.030 254 R HN 0.891 nan 8.270 nan 0.000 0.491 255 S N 1.005 116.669 115.700 -0.059 0.000 2.382 255 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 255 S C 0.979 175.544 174.600 -0.059 0.000 1.027 255 S CA 0.388 58.548 58.200 -0.066 0.000 0.991 255 S CB 0.095 63.247 63.200 -0.080 0.000 0.823 255 S HN 0.367 nan 8.310 nan 0.000 0.469 256 V N 1.818 121.700 119.914 -0.053 0.000 2.487 256 V HA 0.484 4.604 4.120 -0.000 0.000 0.298 256 V C -0.952 175.124 176.094 -0.032 0.000 1.028 256 V CA -0.473 61.802 62.300 -0.042 0.000 0.860 256 V CB 1.102 32.899 31.823 -0.043 0.000 0.991 256 V HN 0.409 nan 8.190 nan 0.000 0.427 257 D N 4.029 124.414 120.400 -0.025 0.000 2.689 257 D HA -0.146 4.494 4.640 -0.000 0.000 0.237 257 D C 0.914 177.202 176.300 -0.020 0.000 1.148 257 D CA 1.411 55.399 54.000 -0.018 0.000 0.656 257 D CB -0.935 39.855 40.800 -0.016 0.000 1.050 257 D HN 0.985 nan 8.370 nan 0.000 0.426 258 G N 0.219 109.005 108.800 -0.022 0.000 3.377 258 G HA2 0.138 4.098 3.960 -0.000 0.000 0.257 258 G HA3 0.138 4.098 3.960 -0.000 0.000 0.257 258 G C 0.472 175.364 174.900 -0.013 0.000 1.038 258 G CA 0.200 45.285 45.100 -0.025 0.000 0.809 258 G HN 0.311 nan 8.290 nan 0.000 0.526 259 K N 0.200 120.597 120.400 -0.004 0.000 3.125 259 K HA -0.218 4.102 4.320 -0.000 0.000 0.268 259 K C 1.098 177.710 176.600 0.019 0.000 1.078 259 K CA 0.594 56.887 56.287 0.010 0.000 0.775 259 K CB -0.889 31.624 32.500 0.021 0.000 1.253 259 K HN 0.385 nan 8.250 nan 0.000 0.486 260 E N 1.286 121.490 120.200 0.006 0.000 2.035 260 E HA -0.251 4.099 4.350 -0.000 0.000 0.204 260 E C 1.471 178.087 176.600 0.027 0.000 1.025 260 E CA 2.264 58.669 56.400 0.008 0.000 0.835 260 E CB -0.169 29.524 29.700 -0.011 0.000 0.764 260 E HN 0.648 nan 8.360 nan 0.000 0.457 261 D N -0.427 119.986 120.400 0.022 0.000 2.312 261 D HA -0.055 4.585 4.640 -0.000 0.000 0.211 261 D C 1.630 177.955 176.300 0.042 0.000 0.964 261 D CA 1.012 55.030 54.000 0.030 0.000 0.877 261 D CB -0.343 40.469 40.800 0.019 0.000 0.924 261 D HN 0.112 nan 8.370 nan 0.000 0.515 262 S N -0.693 115.033 115.700 0.044 0.000 2.458 262 S HA 0.117 4.586 4.470 -0.000 0.000 0.223 262 S C 1.796 176.445 174.600 0.081 0.000 1.019 262 S CA -0.101 58.129 58.200 0.051 0.000 0.937 262 S CB -0.170 63.054 63.200 0.039 0.000 0.788 262 S HN 0.256 nan 8.310 nan 0.000 0.511 263 I N 0.881 121.512 120.570 0.101 0.000 2.480 263 I HA -0.072 4.097 4.170 -0.000 0.000 0.251 263 I C 2.566 178.784 176.117 0.169 0.000 1.124 263 I CA 0.731 62.129 61.300 0.163 0.000 1.444 263 I CB -0.421 37.685 38.000 0.176 0.000 1.098 263 I HN 0.309 nan 8.210 nan 0.000 0.428 264 Q N 0.675 120.550 119.800 0.125 0.000 2.119 264 Q HA -0.172 4.167 4.340 -0.000 0.000 0.201 264 Q C 1.995 178.065 176.000 0.118 0.000 0.972 264 Q CA 1.130 57.006 55.803 0.122 0.000 0.847 264 Q CB 0.056 28.845 28.738 0.085 0.000 0.903 264 Q HN 0.394 nan 8.270 nan 0.000 0.433 265 E N 0.488 120.747 120.200 0.097 0.000 2.285 265 E HA -0.097 4.252 4.350 -0.000 0.000 0.194 265 E C 1.884 178.543 176.600 0.097 0.000 0.997 265 E CA 0.413 56.864 56.400 0.086 0.000 0.845 265 E CB 0.093 29.830 29.700 0.061 0.000 0.782 265 E HN 0.327 nan 8.360 nan 0.000 0.491 266 L N 0.063 121.354 121.223 0.112 0.000 2.179 266 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 266 L C 2.050 179.026 176.870 0.178 0.000 1.096 266 L CA 0.690 55.599 54.840 0.116 0.000 0.779 266 L CB 0.041 42.169 42.059 0.114 0.000 0.922 266 L HN 0.036 nan 8.230 nan 0.000 0.443 267 L N -0.552 120.790 121.223 0.199 0.000 2.418 267 L HA -0.017 4.323 4.340 -0.000 0.000 0.218 267 L C 2.649 179.622 176.870 0.171 0.000 1.125 267 L CA 0.070 55.034 54.840 0.206 0.000 0.835 267 L CB -0.524 41.677 42.059 0.238 0.000 0.953 267 L HN 0.286 nan 8.230 nan 0.000 0.454 268 R N 1.114 121.706 120.500 0.154 0.000 2.064 268 R HA -0.124 4.216 4.340 -0.000 0.000 0.228 268 R C 2.168 178.559 176.300 0.153 0.000 1.144 268 R CA 2.332 58.515 56.100 0.138 0.000 0.932 268 R CB -0.606 29.761 30.300 0.112 0.000 0.833 268 R HN 0.333 nan 8.270 nan 0.000 0.429 269 V N -1.082 118.927 119.914 0.158 0.000 2.970 269 V HA 0.118 4.237 4.120 -0.000 0.000 0.260 269 V C 2.142 178.401 176.094 0.276 0.000 1.100 269 V CA 1.532 63.956 62.300 0.207 0.000 1.122 269 V CB -0.856 31.057 31.823 0.150 0.000 0.721 269 V HN 0.308 nan 8.190 nan 0.000 0.483 270 A N -0.711 122.264 122.820 0.259 0.000 2.169 270 A HA 0.072 4.392 4.320 -0.000 0.000 0.212 270 A C 2.163 179.948 177.584 0.336 0.000 1.153 270 A CA 1.107 53.367 52.037 0.372 0.000 0.756 270 A CB -0.209 19.007 19.000 0.361 0.000 0.813 270 A HN 0.635 nan 8.150 nan 0.000 0.471 271 Q N -0.880 119.052 119.800 0.220 0.000 2.304 271 Q HA 0.024 4.364 4.340 -0.000 0.000 0.204 271 Q C 1.198 177.282 176.000 0.141 0.000 0.936 271 Q CA 0.551 56.453 55.803 0.165 0.000 0.878 271 Q CB 0.138 28.973 28.738 0.160 0.000 0.983 271 Q HN 0.705 nan 8.270 nan 0.000 0.516 272 E N -0.304 119.978 120.200 0.136 0.000 2.515 272 E HA -0.119 4.231 4.350 -0.000 0.000 0.201 272 E C 0.904 177.432 176.600 -0.120 0.000 1.071 272 E CA 0.493 56.914 56.400 0.035 0.000 0.880 272 E CB 0.237 29.970 29.700 0.055 0.000 0.828 272 E HN 0.367 nan 8.360 nan 0.000 0.540 273 H N -2.054 116.949 119.070 -0.113 0.000 2.348 273 H HA 0.115 4.671 4.556 -0.000 0.000 0.233 273 H C 0.286 175.183 175.328 -0.717 0.000 0.889 273 H CA 0.388 56.158 56.048 -0.465 0.000 1.034 273 H CB 0.683 30.084 29.762 -0.602 0.000 1.393 273 H HN 0.081 nan 8.280 nan 0.000 0.422 274 F N 1.426 121.484 119.950 0.180 0.000 2.881 274 F HA 0.386 4.913 4.527 -0.000 0.000 0.343 274 F C 1.209 176.997 175.800 -0.021 0.000 1.233 274 F CA -0.415 57.644 58.000 0.097 0.000 1.262 274 F CB 0.599 39.728 39.000 0.214 0.000 0.980 274 F HN -0.013 nan 8.300 nan 0.000 0.506 275 G N 0.379 109.244 108.800 0.108 0.000 2.563 275 G HA2 0.307 4.266 3.960 -0.000 0.000 0.283 275 G HA3 0.307 4.266 3.960 -0.000 0.000 0.283 275 G C -0.194 174.753 174.900 0.078 0.000 1.309 275 G CA -0.821 44.353 45.100 0.124 0.000 1.022 275 G HN 0.103 nan 8.290 nan 0.000 0.501 276 K N 0.664 121.107 120.400 0.071 0.000 2.401 276 K HA 0.094 4.414 4.320 -0.000 0.000 0.278 276 K C -0.458 176.133 176.600 -0.014 0.000 1.018 276 K CA 0.067 56.339 56.287 -0.024 0.000 0.981 276 K CB 0.482 32.874 32.500 -0.181 0.000 0.933 276 K HN 0.489 nan 8.250 nan 0.000 0.477 277 D N 1.917 122.305 120.400 -0.020 0.000 2.689 277 D HA -0.184 4.456 4.640 -0.000 0.000 0.237 277 D C 0.473 176.769 176.300 -0.007 0.000 1.148 277 D CA 0.991 54.986 54.000 -0.009 0.000 0.656 277 D CB -0.077 40.724 40.800 0.002 0.000 1.050 277 D HN 0.516 nan 8.370 nan 0.000 0.426 278 K N -0.886 119.506 120.400 -0.013 0.000 2.585 278 K HA 0.110 4.430 4.320 -0.000 0.000 0.198 278 K C 0.822 177.394 176.600 -0.048 0.000 1.403 278 K CA 0.382 56.648 56.287 -0.034 0.000 1.021 278 K CB 0.977 33.454 32.500 -0.039 0.000 1.558 278 K HN 0.143 nan 8.250 nan 0.000 0.524 279 S N -1.518 114.166 115.700 -0.026 0.000 3.516 279 S HA 0.594 5.064 4.470 -0.000 0.000 0.288 279 S C 0.216 174.835 174.600 0.032 0.000 1.051 279 S CA 0.224 58.419 58.200 -0.008 0.000 1.109 279 S CB 1.237 64.428 63.200 -0.016 0.000 1.338 279 S HN 0.093 nan 8.310 nan 0.000 0.743 280 S N -0.150 115.598 115.700 0.080 0.000 3.324 280 S HA 0.233 4.703 4.470 -0.000 0.000 0.229 280 S C -1.841 172.828 174.600 0.116 0.000 1.043 280 S CA 0.195 58.437 58.200 0.069 0.000 1.107 280 S CB -1.353 61.873 63.200 0.042 0.000 1.057 280 S HN 0.520 nan 8.310 nan 0.000 0.418 281 P HA -0.112 nan 4.420 nan 0.000 0.214 281 P C 0.107 177.556 177.300 0.249 0.000 1.164 281 P CA 1.323 64.545 63.100 0.204 0.000 0.942 281 P CB 0.097 31.953 31.700 0.261 0.000 0.791 282 F N -0.746 119.311 119.950 0.177 0.000 2.449 282 F HA 0.463 4.990 4.527 -0.000 0.000 0.342 282 F C -0.322 175.539 175.800 0.101 0.000 1.127 282 F CA -1.062 56.965 58.000 0.045 0.000 0.975 282 F CB 1.368 40.245 39.000 -0.205 0.000 1.146 282 F HN -0.278 nan 8.300 nan 0.000 0.444 283 Q N 5.493 124.888 119.800 -0.676 0.000 2.368 283 Q HA 0.292 4.632 4.340 -0.000 0.000 0.256 283 Q C 0.250 175.659 176.000 -0.984 0.000 0.980 283 Q CA -0.355 55.113 55.803 -0.558 0.000 0.887 283 Q CB 1.527 30.081 28.738 -0.307 0.000 1.221 283 Q HN 0.929 nan 8.270 nan 0.000 0.458 284 L N 3.881 124.588 121.223 -0.860 0.000 2.012 284 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 284 L C -0.155 176.070 176.870 -1.075 0.000 1.073 284 L CA 1.716 55.897 54.840 -1.099 0.000 0.748 284 L CB -0.068 41.245 42.059 -1.243 0.000 0.891 284 L HN 0.646 nan 8.230 nan 0.000 0.431 285 F N -0.170 119.535 119.950 -0.409 0.000 2.293 285 F HA 0.622 5.149 4.527 -0.000 0.000 0.370 285 F C 0.555 176.200 175.800 -0.258 0.000 1.090 285 F CA -0.501 57.319 58.000 -0.300 0.000 1.133 285 F CB 0.781 39.594 39.000 -0.312 0.000 1.360 285 F HN -0.007 nan 8.300 nan 0.000 0.489 286 G N 1.147 109.887 108.800 -0.100 0.000 1.980 286 G HA2 0.199 4.159 3.960 -0.000 0.000 0.198 286 G HA3 0.199 4.159 3.960 -0.000 0.000 0.198 286 G C -1.193 173.621 174.900 -0.144 0.000 1.587 286 G CA -1.093 43.932 45.100 -0.124 0.000 0.975 286 G HN 0.381 nan 8.290 nan 0.000 0.682 287 S N 2.818 118.439 115.700 -0.132 0.000 2.523 287 S HA 0.518 4.987 4.470 -0.000 0.000 0.275 287 S C -1.024 173.532 174.600 -0.073 0.000 1.281 287 S CA -0.704 57.431 58.200 -0.108 0.000 1.050 287 S CB 1.806 64.915 63.200 -0.153 0.000 0.937 287 S HN 0.522 nan 8.310 nan 0.000 0.492 288 P HA 0.115 nan 4.420 nan 0.000 0.220 288 P C 0.893 178.228 177.300 0.058 0.000 1.154 288 P CA 0.710 63.846 63.100 0.060 0.000 0.837 288 P CB 0.256 32.058 31.700 0.170 0.000 0.815 289 H N -1.343 117.713 119.070 -0.023 0.000 2.300 289 H HA 0.204 4.760 4.556 -0.000 0.000 0.312 289 H C 1.474 176.652 175.328 -0.249 0.000 1.057 289 H CA 1.320 57.355 56.048 -0.021 0.000 1.380 289 H CB -0.189 29.725 29.762 0.254 0.000 1.424 289 H HN 0.097 nan 8.280 nan 0.000 0.534 290 G N -0.156 108.582 108.800 -0.104 0.000 3.306 290 G HA2 0.310 4.270 3.960 -0.000 0.000 0.202 290 G HA3 0.310 4.270 3.960 -0.000 0.000 0.202 290 G C -0.935 173.708 174.900 -0.428 0.000 1.673 290 G CA -0.102 44.861 45.100 -0.229 0.000 0.776 290 G HN 0.180 nan 8.290 nan 0.000 0.740 291 E N -0.803 119.037 120.200 -0.600 0.000 2.352 291 E HA 0.430 4.780 4.350 -0.000 0.000 0.280 291 E C -1.500 174.805 176.600 -0.492 0.000 0.930 291 E CA -0.478 55.376 56.400 -0.911 0.000 0.765 291 E CB 1.478 29.837 29.700 -2.235 0.000 1.219 291 E HN 0.299 nan 8.360 nan 0.000 0.434 292 D N 1.784 121.991 120.400 -0.321 0.000 2.746 292 D HA -0.181 4.459 4.640 -0.000 0.000 0.236 292 D C -0.711 175.618 176.300 0.049 0.000 1.129 292 D CA 0.789 54.739 54.000 -0.084 0.000 0.691 292 D CB -1.028 39.765 40.800 -0.011 0.000 1.077 292 D HN 0.362 nan 8.370 nan 0.000 0.432 293 L N 0.225 121.458 121.223 0.016 0.000 2.313 293 L HA 0.174 4.514 4.340 -0.000 0.000 0.282 293 L C 1.718 178.622 176.870 0.056 0.000 1.092 293 L CA -0.670 54.206 54.840 0.059 0.000 0.831 293 L CB 0.816 42.891 42.059 0.025 0.000 1.159 293 L HN 0.066 nan 8.230 nan 0.000 0.442 294 L N 2.903 124.159 121.223 0.056 0.000 3.447 294 L HA -0.357 3.983 4.340 -0.000 0.000 0.337 294 L C -0.200 176.480 176.870 -0.317 0.000 4.145 294 L CA 2.086 56.867 54.840 -0.098 0.000 1.229 294 L CB -1.073 40.850 42.059 -0.227 0.000 3.307 294 L HN 0.428 nan 8.230 nan 0.000 0.751 295 F N -0.511 119.446 119.950 0.012 0.000 2.546 295 F HA 0.534 5.061 4.527 -0.000 0.000 0.320 295 F C 0.726 176.569 175.800 0.072 0.000 1.076 295 F CA -0.547 57.499 58.000 0.077 0.000 0.928 295 F CB 1.264 40.308 39.000 0.073 0.000 1.189 295 F HN -0.007 nan 8.300 nan 0.000 0.465 296 T N -1.642 113.055 114.554 0.237 0.000 2.902 296 T HA 0.035 4.385 4.350 -0.000 0.000 0.301 296 T C 0.719 175.485 174.700 0.110 0.000 1.012 296 T CA -0.606 61.550 62.100 0.093 0.000 1.151 296 T CB 0.585 69.461 68.868 0.013 0.000 0.946 296 T HN 0.554 nan 8.240 nan 0.000 0.542 297 D N 2.419 122.814 120.400 -0.008 0.000 2.265 297 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 297 D C 1.967 178.223 176.300 -0.074 0.000 0.977 297 D CA 1.277 55.251 54.000 -0.043 0.000 0.871 297 D CB -0.202 40.513 40.800 -0.141 0.000 0.925 297 D HN 0.820 nan 8.370 nan 0.000 0.485 298 A N 0.484 123.275 122.820 -0.048 0.000 2.208 298 A HA 0.368 4.688 4.320 -0.000 0.000 0.209 298 A C 1.275 178.929 177.584 0.116 0.000 1.161 298 A CA 0.317 52.354 52.037 -0.000 0.000 0.782 298 A CB 0.065 19.019 19.000 -0.076 0.000 0.816 298 A HN 0.192 nan 8.150 nan 0.000 0.477 299 A N -1.160 121.586 122.820 -0.124 0.000 2.287 299 A HA 0.523 4.843 4.320 -0.000 0.000 0.273 299 A C 0.497 177.549 177.584 -0.887 0.000 1.091 299 A CA -0.184 51.500 52.037 -0.588 0.000 0.817 299 A CB 0.118 18.618 19.000 -0.834 0.000 1.069 299 A HN 0.457 nan 8.150 nan 0.000 0.492 300 H N -0.680 117.691 119.070 -1.165 0.000 2.750 300 H HA 0.410 4.965 4.556 -0.000 0.000 0.263 300 H C 1.013 175.674 175.328 -1.111 0.000 0.964 300 H CA 0.781 56.248 56.048 -0.969 0.000 1.205 300 H CB 0.846 30.326 29.762 -0.470 0.000 1.454 300 H HN 0.939 nan 8.280 nan 0.000 0.503 301 G N -0.814 107.120 108.800 -1.443 0.000 2.494 301 G HA2 0.451 4.411 3.960 -0.000 0.000 0.308 301 G HA3 0.451 4.411 3.960 -0.000 0.000 0.308 301 G C -2.039 172.702 174.900 -0.265 0.000 1.263 301 G CA -0.790 43.971 45.100 -0.565 0.000 0.840 301 G HN -0.009 nan 8.290 nan 0.000 0.479 302 L N -0.311 121.079 121.223 0.279 0.000 2.422 302 L HA 0.713 5.052 4.340 -0.000 0.000 0.264 302 L C -0.594 176.500 176.870 0.373 0.000 0.984 302 L CA -0.359 54.679 54.840 0.329 0.000 0.819 302 L CB 2.146 44.384 42.059 0.298 0.000 1.330 302 L HN 0.480 nan 8.230 nan 0.000 0.410 303 L N 2.141 123.576 121.223 0.355 0.000 2.346 303 L HA 0.597 4.937 4.340 -0.000 0.000 0.276 303 L C 0.069 177.114 176.870 0.292 0.000 1.006 303 L CA -0.671 54.344 54.840 0.292 0.000 0.817 303 L CB 1.829 44.042 42.059 0.258 0.000 1.272 303 L HN 0.531 nan 8.230 nan 0.000 0.421 304 R N 2.287 122.915 120.500 0.215 0.000 2.347 304 R HA 0.358 4.698 4.340 -0.000 0.000 0.304 304 R C -0.455 175.897 176.300 0.086 0.000 1.072 304 R CA -0.427 55.751 56.100 0.131 0.000 0.980 304 R CB 0.928 31.286 30.300 0.097 0.000 0.986 304 R HN 0.536 nan 8.270 nan 0.000 0.448 305 V N 2.973 122.819 119.914 -0.113 0.000 2.863 305 V HA 0.574 4.694 4.120 -0.000 0.000 0.307 305 V C -1.987 173.959 176.094 -0.246 0.000 1.061 305 V CA -1.885 60.154 62.300 -0.435 0.000 1.024 305 V CB 1.092 32.542 31.823 -0.623 0.000 1.049 305 V HN 0.750 nan 8.190 nan 0.000 0.471 306 P HA 0.198 nan 4.420 nan 0.000 0.274 306 P C 0.333 177.556 177.300 -0.128 0.000 1.260 306 P CA -0.361 62.658 63.100 -0.134 0.000 0.793 306 P CB 0.616 32.254 31.700 -0.105 0.000 1.048 307 R N 0.577 121.025 120.500 -0.088 0.000 2.161 307 R HA 0.079 4.419 4.340 -0.000 0.000 0.213 307 R C 0.864 177.108 176.300 -0.092 0.000 1.055 307 R CA 0.776 56.826 56.100 -0.083 0.000 0.996 307 R CB -0.311 29.953 30.300 -0.060 0.000 0.901 307 R HN 0.300 nan 8.270 nan 0.000 0.456 308 K N 1.573 121.921 120.400 -0.086 0.000 3.173 308 K HA 0.284 4.604 4.320 -0.000 0.000 0.255 308 K C -0.712 175.830 176.600 -0.097 0.000 1.235 308 K CA -0.036 56.200 56.287 -0.085 0.000 1.250 308 K CB 0.205 32.668 32.500 -0.061 0.000 1.382 308 K HN 0.231 nan 8.250 nan 0.000 0.421 309 I N 1.114 121.612 120.570 -0.120 0.000 2.611 309 I HA 0.124 4.294 4.170 -0.000 0.000 0.287 309 I C -1.464 174.574 176.117 -0.132 0.000 1.184 309 I CA -0.594 60.635 61.300 -0.119 0.000 1.054 309 I CB 1.184 39.097 38.000 -0.144 0.000 1.257 309 I HN 0.160 nan 8.210 nan 0.000 0.435 310 D N 5.976 126.301 120.400 -0.124 0.000 2.627 310 D HA 0.179 4.819 4.640 -0.000 0.000 0.259 310 D C 0.912 177.184 176.300 -0.046 0.000 1.164 310 D CA -0.550 53.377 54.000 -0.121 0.000 1.087 310 D CB 1.038 41.701 40.800 -0.229 0.000 1.217 310 D HN 0.431 nan 8.370 nan 0.000 0.630 311 I N 0.335 120.894 120.570 -0.018 0.000 2.454 311 I HA -0.224 3.946 4.170 -0.000 0.000 0.254 311 I C 2.044 178.155 176.117 -0.011 0.000 1.156 311 I CA 1.309 62.601 61.300 -0.014 0.000 1.433 311 I CB -0.367 37.603 38.000 -0.051 0.000 1.082 311 I HN 0.303 nan 8.210 nan 0.000 0.432 312 S N 0.121 115.825 115.700 0.007 0.000 2.356 312 S HA -0.143 4.327 4.470 -0.000 0.000 0.223 312 S C 1.825 176.430 174.600 0.007 0.000 1.032 312 S CA 1.463 59.667 58.200 0.007 0.000 1.005 312 S CB -0.398 62.830 63.200 0.046 0.000 0.867 312 S HN 0.340 nan 8.310 nan 0.000 0.449 313 L N -0.096 121.136 121.223 0.016 0.000 2.240 313 L HA 0.093 4.433 4.340 -0.000 0.000 0.211 313 L C 2.005 178.921 176.870 0.076 0.000 1.106 313 L CA 1.121 55.985 54.840 0.039 0.000 0.793 313 L CB -0.720 41.353 42.059 0.023 0.000 0.927 313 L HN 0.285 nan 8.230 nan 0.000 0.446 314 Y N 0.083 120.368 120.300 -0.025 0.000 2.070 314 Y HA -0.269 4.281 4.550 -0.000 0.000 0.280 314 Y C 2.242 178.151 175.900 0.014 0.000 1.148 314 Y CA 1.797 59.926 58.100 0.048 0.000 1.125 314 Y CB -0.312 38.120 38.460 -0.047 0.000 0.975 314 Y HN 0.041 nan 8.280 nan 0.000 0.492 315 L N -0.749 120.323 121.223 -0.252 0.000 2.027 315 L HA 0.103 4.442 4.340 -0.000 0.000 0.206 315 L C 1.266 177.938 176.870 -0.330 0.000 1.074 315 L CA 0.930 55.441 54.840 -0.548 0.000 0.745 315 L CB -1.137 40.457 42.059 -0.776 0.000 0.898 315 L HN 0.484 nan 8.230 nan 0.000 0.433 316 G N -2.560 106.162 108.800 -0.130 0.000 2.440 316 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.684 316 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.684 316 G C -0.646 174.316 174.900 0.102 0.000 1.309 316 G CA -0.145 44.960 45.100 0.010 0.000 0.931 316 G HN -0.024 nan 8.290 nan 0.000 0.612 317 Y N 0.019 120.335 120.300 0.027 0.000 2.397 317 Y HA 0.202 4.752 4.550 -0.000 0.000 0.292 317 Y C 2.635 178.572 175.900 0.062 0.000 1.115 317 Y CA 2.271 60.394 58.100 0.039 0.000 1.208 317 Y CB 0.157 38.634 38.460 0.027 0.000 1.046 317 Y HN 0.702 nan 8.280 nan 0.000 0.552 318 E N -0.672 119.596 120.200 0.113 0.000 2.077 318 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 318 E C 1.748 178.347 176.600 -0.002 0.000 0.989 318 E CA 1.374 57.792 56.400 0.031 0.000 0.800 318 E CB -0.362 29.376 29.700 0.064 0.000 0.746 318 E HN 0.460 nan 8.360 nan 0.000 0.452 319 F N 0.684 120.572 119.950 -0.104 0.000 2.325 319 F HA -0.012 4.514 4.527 -0.000 0.000 0.299 319 F C 1.731 177.467 175.800 -0.106 0.000 1.090 319 F CA 0.877 58.818 58.000 -0.098 0.000 1.392 319 F CB 0.196 39.124 39.000 -0.121 0.000 1.053 319 F HN -0.086 nan 8.300 nan 0.000 0.521 320 L N -0.957 120.323 121.223 0.095 0.000 2.416 320 L HA -0.045 4.295 4.340 -0.000 0.000 0.216 320 L C 2.486 179.288 176.870 -0.113 0.000 1.098 320 L CA 0.845 55.680 54.840 -0.009 0.000 0.840 320 L CB -0.577 41.431 42.059 -0.084 0.000 0.981 320 L HN 0.126 nan 8.230 nan 0.000 0.462 321 S N 0.613 116.119 115.700 -0.323 0.000 2.345 321 S HA -0.115 4.355 4.470 -0.000 0.000 0.219 321 S C 2.079 176.599 174.600 -0.135 0.000 1.031 321 S CA 0.739 58.727 58.200 -0.353 0.000 0.984 321 S CB -0.556 62.367 63.200 -0.463 0.000 0.874 321 S HN 0.277 nan 8.310 nan 0.000 0.451 322 A N -0.036 122.721 122.820 -0.105 0.000 2.248 322 A HA 0.227 4.547 4.320 -0.000 0.000 0.210 322 A C 1.680 179.251 177.584 -0.022 0.000 1.174 322 A CA 0.699 52.685 52.037 -0.084 0.000 0.750 322 A CB -0.899 18.022 19.000 -0.131 0.000 0.780 322 A HN 0.610 nan 8.150 nan 0.000 0.478 323 F N -0.509 119.367 119.950 -0.123 0.000 2.582 323 F HA 0.149 4.676 4.527 -0.000 0.000 0.290 323 F C 1.921 177.684 175.800 -0.062 0.000 1.115 323 F CA 0.382 58.319 58.000 -0.105 0.000 1.445 323 F CB 0.325 39.245 39.000 -0.135 0.000 1.126 323 F HN 0.019 nan 8.300 nan 0.000 0.574 324 R N 0.635 121.183 120.500 0.079 0.000 2.313 324 R HA 0.096 4.435 4.340 -0.000 0.000 0.199 324 R C 0.674 176.943 176.300 -0.051 0.000 0.958 324 R CA 0.367 56.480 56.100 0.023 0.000 1.047 324 R CB -0.816 29.501 30.300 0.028 0.000 0.955 324 R HN 0.383 nan 8.270 nan 0.000 0.481 325 N N -0.288 118.363 118.700 -0.081 0.000 2.368 325 N HA 0.025 4.765 4.740 -0.000 0.000 0.178 325 N C 1.066 176.505 175.510 -0.119 0.000 1.076 325 N CA 0.354 53.350 53.050 -0.090 0.000 0.889 325 N CB 0.404 38.839 38.487 -0.088 0.000 1.040 325 N HN 0.077 nan 8.380 nan 0.000 0.463 326 L N -0.070 121.059 121.223 -0.158 0.000 2.664 326 L HA 0.278 4.618 4.340 -0.000 0.000 0.233 326 L C 1.773 178.543 176.870 -0.167 0.000 1.113 326 L CA 0.633 55.372 54.840 -0.169 0.000 0.896 326 L CB 0.381 42.346 42.059 -0.157 0.000 1.163 326 L HN -0.115 nan 8.230 nan 0.000 0.497 327 K N -1.048 119.192 120.400 -0.267 0.000 2.511 327 K HA 0.234 4.554 4.320 -0.000 0.000 0.206 327 K C 0.867 177.403 176.600 -0.107 0.000 1.333 327 K CA -0.028 56.114 56.287 -0.242 0.000 0.957 327 K CB 1.242 33.349 32.500 -0.655 0.000 1.172 327 K HN 0.017 nan 8.250 nan 0.000 0.547 334 Q N 2.906 122.538 119.800 -0.281 0.000 2.837 334 Q HA 0.314 4.654 4.340 -0.000 0.000 0.235 334 Q C 0.202 175.988 176.000 -0.357 0.000 1.348 334 Q CA 0.016 55.464 55.803 -0.592 0.000 0.990 334 Q CB -0.113 28.364 28.738 -0.435 0.000 1.570 334 Q HN 0.502 nan 8.270 nan 0.000 0.575 335 R N -2.030 118.324 120.500 -0.243 0.000 2.734 335 R HA 0.639 4.979 4.340 -0.000 0.000 0.271 335 R C -1.555 174.826 176.300 0.136 0.000 1.021 335 R CA -0.919 55.223 56.100 0.069 0.000 0.893 335 R CB 1.124 31.433 30.300 0.015 0.000 1.244 335 R HN 0.001 nan 8.270 nan 0.000 0.464 336 V N 1.724 121.760 119.914 0.203 0.000 2.350 336 V HA 0.341 4.461 4.120 -0.000 0.000 0.285 336 V C -0.382 175.780 176.094 0.113 0.000 1.014 336 V CA -0.645 61.767 62.300 0.185 0.000 0.831 336 V CB 1.334 33.308 31.823 0.252 0.000 1.000 336 V HN 0.707 nan 8.190 nan 0.000 0.433 337 K N 5.879 126.323 120.400 0.073 0.000 2.244 337 K HA 0.146 4.466 4.320 -0.000 0.000 0.263 337 K C -0.085 176.564 176.600 0.081 0.000 1.103 337 K CA -0.526 55.796 56.287 0.058 0.000 0.966 337 K CB 0.390 32.901 32.500 0.019 0.000 1.429 337 K HN 0.734 nan 8.250 nan 0.000 0.434 338 W N 4.880 126.157 121.300 -0.038 0.000 2.223 338 W HA 0.012 4.672 4.660 -0.000 0.000 0.334 338 W C -0.387 176.128 176.519 -0.006 0.000 1.334 338 W CA -0.480 56.863 57.345 -0.003 0.000 1.246 338 W CB 0.801 30.278 29.460 0.029 0.000 1.184 338 W HN 0.483 nan 8.180 nan 0.000 0.563 339 c N 6.395 124.833 118.600 -0.269 0.000 2.347 339 c HA 0.680 5.250 4.570 -0.000 0.000 0.353 339 c C 0.383 174.499 174.090 0.042 0.000 1.273 339 c CA -0.375 55.887 56.329 -0.113 0.000 1.861 339 c CB -0.841 41.546 42.510 -0.206 0.000 2.420 339 c HN 0.580 nan 8.230 nan 0.000 0.542 340 A N 5.169 128.046 122.820 0.094 0.000 2.292 340 A HA 0.652 4.972 4.320 -0.000 0.000 0.319 340 A C -0.539 177.063 177.584 0.030 0.000 1.206 340 A CA -0.335 51.768 52.037 0.111 0.000 0.835 340 A CB 0.805 19.874 19.000 0.115 0.000 1.164 340 A HN 0.786 nan 8.150 nan 0.000 0.505 341 V N 3.304 123.229 119.914 0.019 0.000 2.284 341 V HA 0.607 4.727 4.120 -0.000 0.000 0.260 341 V C 0.926 177.007 176.094 -0.022 0.000 1.084 341 V CA 1.049 63.333 62.300 -0.027 0.000 0.894 341 V CB -0.717 31.078 31.823 -0.047 0.000 1.119 341 V HN 1.876 nan 8.190 nan 0.000 0.484 342 G N 4.547 113.332 108.800 -0.024 0.000 2.526 342 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.250 342 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.250 342 G C -0.022 174.883 174.900 0.008 0.000 1.289 342 G CA 0.311 45.400 45.100 -0.019 0.000 0.947 342 G HN 0.507 nan 8.290 nan 0.000 0.517 343 Q N -0.888 118.921 119.800 0.016 0.000 2.304 343 Q HA 0.229 4.569 4.340 -0.000 0.000 0.204 343 Q C 2.737 178.758 176.000 0.034 0.000 0.936 343 Q CA 2.136 57.954 55.803 0.025 0.000 0.878 343 Q CB -0.226 28.526 28.738 0.024 0.000 0.983 343 Q HN 0.651 nan 8.270 nan 0.000 0.516 344 Q N 0.195 120.019 119.800 0.041 0.000 2.152 344 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 344 Q C 1.774 177.810 176.000 0.059 0.000 0.985 344 Q CA 1.489 57.324 55.803 0.053 0.000 0.863 344 Q CB -0.018 28.758 28.738 0.063 0.000 0.904 344 Q HN 0.501 nan 8.270 nan 0.000 0.422 345 E N 0.371 120.606 120.200 0.058 0.000 2.072 345 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 345 E C 2.043 178.687 176.600 0.072 0.000 0.985 345 E CA 0.715 57.156 56.400 0.069 0.000 0.801 345 E CB -0.057 29.686 29.700 0.072 0.000 0.750 345 E HN 0.067 nan 8.360 nan 0.000 0.452 346 R N 0.995 121.530 120.500 0.059 0.000 2.120 346 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 346 R C 2.042 178.362 176.300 0.034 0.000 1.123 346 R CA 1.678 57.809 56.100 0.052 0.000 0.975 346 R CB -0.780 29.541 30.300 0.036 0.000 0.866 346 R HN 0.042 nan 8.270 nan 0.000 0.446 347 T N 0.220 114.793 114.554 0.032 0.000 2.777 347 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 347 T C 1.598 176.303 174.700 0.007 0.000 1.040 347 T CA 1.501 63.612 62.100 0.018 0.000 1.141 347 T CB -0.172 68.713 68.868 0.029 0.000 0.868 347 T HN 0.320 nan 8.240 nan 0.000 0.444 348 K N 0.262 120.686 120.400 0.041 0.000 2.211 348 K HA -0.062 4.258 4.320 -0.000 0.000 0.203 348 K C 2.554 179.158 176.600 0.007 0.000 1.050 348 K CA 0.912 57.231 56.287 0.054 0.000 0.945 348 K CB -0.416 32.169 32.500 0.142 0.000 0.732 348 K HN 0.356 nan 8.250 nan 0.000 0.451 349 c N 1.363 119.990 118.600 0.045 0.000 2.457 349 c HA -0.060 4.510 4.570 -0.000 0.000 0.278 349 c C 2.016 176.088 174.090 -0.030 0.000 1.309 349 c CA 0.790 57.158 56.329 0.065 0.000 1.735 349 c CB -0.730 41.838 42.510 0.097 0.000 1.992 349 c HN 0.525 nan 8.230 nan 0.000 0.493 350 D N 0.233 120.604 120.400 -0.049 0.000 2.097 350 D HA -0.164 4.475 4.640 -0.000 0.000 0.195 350 D C 2.278 178.489 176.300 -0.149 0.000 0.989 350 D CA 1.466 55.418 54.000 -0.080 0.000 0.827 350 D CB -0.613 40.156 40.800 -0.051 0.000 0.966 350 D HN 0.687 nan 8.370 nan 0.000 0.456 351 Q N -0.666 119.007 119.800 -0.212 0.000 2.135 351 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 351 Q C 2.082 177.749 176.000 -0.555 0.000 0.981 351 Q CA 1.156 56.734 55.803 -0.373 0.000 0.856 351 Q CB -0.176 28.262 28.738 -0.499 0.000 0.902 351 Q HN 0.382 nan 8.270 nan 0.000 0.425 352 W N 0.812 121.611 121.300 -0.835 0.000 2.476 352 W HA -0.001 4.659 4.660 -0.000 0.000 0.281 352 W C 2.462 178.727 176.519 -0.423 0.000 1.230 352 W CA 0.935 57.820 57.345 -0.767 0.000 1.287 352 W CB -0.517 28.627 29.460 -0.526 0.000 1.108 352 W HN 0.000 nan 8.180 nan 0.000 0.567 353 S N 0.252 115.767 115.700 -0.309 0.000 2.400 353 S HA -0.163 4.306 4.470 -0.000 0.000 0.232 353 S C 2.016 176.479 174.600 -0.229 0.000 1.025 353 S CA 1.909 59.917 58.200 -0.319 0.000 0.993 353 S CB -0.547 62.536 63.200 -0.194 0.000 0.808 353 S HN 0.227 nan 8.310 nan 0.000 0.478 354 A N 1.067 123.784 122.820 -0.173 0.000 1.872 354 A HA 0.050 4.370 4.320 -0.000 0.000 0.214 354 A C 2.424 179.976 177.584 -0.053 0.000 1.187 354 A CA 1.628 53.607 52.037 -0.097 0.000 0.614 354 A CB -1.107 17.848 19.000 -0.075 0.000 0.826 354 A HN 0.924 nan 8.150 nan 0.000 0.442 355 V N -0.809 119.076 119.914 -0.048 0.000 2.548 355 V HA -0.167 3.953 4.120 -0.000 0.000 0.249 355 V C 2.403 178.588 176.094 0.152 0.000 1.055 355 V CA 2.222 64.588 62.300 0.109 0.000 1.065 355 V CB -1.510 30.447 31.823 0.222 0.000 0.681 355 V HN 0.663 nan 8.190 nan 0.000 0.462 356 S N 1.439 117.076 115.700 -0.104 0.000 2.392 356 S HA -0.003 4.467 4.470 -0.000 0.000 0.232 356 S C 1.857 176.480 174.600 0.038 0.000 1.041 356 S CA 1.518 59.650 58.200 -0.113 0.000 1.026 356 S CB -1.139 61.781 63.200 -0.467 0.000 0.845 356 S HN 2.152 nan 8.310 nan 0.000 0.465 357 G N 0.104 108.909 108.800 0.008 0.000 2.215 357 G HA2 0.310 4.270 3.960 -0.000 0.000 0.198 357 G HA3 0.310 4.270 3.960 -0.000 0.000 0.198 357 G C 1.008 175.907 174.900 -0.003 0.000 1.047 357 G CA 0.390 45.507 45.100 0.030 0.000 0.747 357 G HN 1.765 nan 8.290 nan 0.000 0.495 358 G N -1.292 107.481 108.800 -0.044 0.000 2.189 358 G HA2 0.056 4.016 3.960 -0.000 0.000 0.267 358 G HA3 0.056 4.016 3.960 -0.000 0.000 0.267 358 G C 1.391 176.267 174.900 -0.041 0.000 0.975 358 G CA 1.407 46.480 45.100 -0.045 0.000 0.644 358 G HN 2.226 nan 8.290 nan 0.000 0.537 359 A N -0.933 121.860 122.820 -0.045 0.000 2.278 359 A HA 0.689 5.009 4.320 -0.000 0.000 0.212 359 A C 0.614 178.162 177.584 -0.061 0.000 1.213 359 A CA 1.228 53.264 52.037 -0.003 0.000 0.840 359 A CB 0.128 19.144 19.000 0.028 0.000 0.866 359 A HN 1.315 nan 8.150 nan 0.000 0.489 360 L N -0.742 120.380 121.223 -0.169 0.000 2.438 360 L HA 0.761 5.101 4.340 -0.000 0.000 0.270 360 L C -0.318 176.440 176.870 -0.187 0.000 0.972 360 L CA -0.175 54.511 54.840 -0.258 0.000 0.831 360 L CB 1.747 43.417 42.059 -0.647 0.000 1.273 360 L HN 0.120 nan 8.230 nan 0.000 0.405 361 A N 3.355 126.121 122.820 -0.090 0.000 2.309 361 A HA 0.906 5.226 4.320 -0.000 0.000 0.317 361 A C -1.152 176.426 177.584 -0.009 0.000 1.134 361 A CA -0.520 51.486 52.037 -0.050 0.000 0.866 361 A CB 1.360 20.349 19.000 -0.019 0.000 1.329 361 A HN 0.757 nan 8.150 nan 0.000 0.477 362 c N -0.022 118.581 118.600 0.005 0.000 2.547 362 c HA 0.847 5.417 4.570 -0.000 0.000 0.313 362 c C 0.263 174.374 174.090 0.035 0.000 1.191 362 c CA -0.406 55.949 56.329 0.045 0.000 1.474 362 c CB 0.615 43.143 42.510 0.031 0.000 2.081 362 c HN 1.113 nan 8.230 nan 0.000 0.476 363 A N 1.523 124.372 122.820 0.048 0.000 2.356 363 A HA 0.795 5.115 4.320 -0.000 0.000 0.310 363 A C -0.389 177.211 177.584 0.027 0.000 1.075 363 A CA -0.190 51.861 52.037 0.023 0.000 0.746 363 A CB 1.228 20.230 19.000 0.004 0.000 1.221 363 A HN 0.843 nan 8.150 nan 0.000 0.443 364 T N 2.339 116.903 114.554 0.017 0.000 2.821 364 T HA 0.489 4.838 4.350 -0.000 0.000 0.307 364 T C -0.545 174.152 174.700 -0.003 0.000 1.034 364 T CA -0.374 61.734 62.100 0.014 0.000 0.953 364 T CB 0.065 68.944 68.868 0.018 0.000 0.968 364 T HN 0.641 nan 8.240 nan 0.000 0.462 365 E N 3.079 123.269 120.200 -0.017 0.000 2.243 365 E HA 0.363 4.713 4.350 -0.000 0.000 0.260 365 E C 0.540 177.114 176.600 -0.042 0.000 0.985 365 E CA -0.800 55.581 56.400 -0.033 0.000 0.858 365 E CB 1.268 30.938 29.700 -0.051 0.000 1.210 365 E HN 0.611 nan 8.360 nan 0.000 0.411 366 E N 0.152 120.322 120.200 -0.049 0.000 2.190 366 E HA 0.012 4.362 4.350 -0.000 0.000 0.191 366 E C 0.953 177.499 176.600 -0.090 0.000 0.978 366 E CA 0.745 57.110 56.400 -0.059 0.000 0.839 366 E CB 0.086 29.759 29.700 -0.045 0.000 0.787 366 E HN 0.628 nan 8.360 nan 0.000 0.473 367 T N -2.940 111.552 114.554 -0.104 0.000 2.864 367 T HA 0.424 4.773 4.350 -0.000 0.000 0.289 367 T C -2.435 172.139 174.700 -0.209 0.000 1.082 367 T CA -1.973 60.040 62.100 -0.145 0.000 1.009 367 T CB 2.274 71.074 68.868 -0.113 0.000 1.234 367 T HN -0.354 nan 8.240 nan 0.000 0.526 368 P HA 0.119 nan 4.420 nan 0.000 0.224 368 P C 1.374 178.449 177.300 -0.374 0.000 1.157 368 P CA 0.491 63.266 63.100 -0.542 0.000 0.799 368 P CB 0.216 31.123 31.700 -1.321 0.000 0.809 369 E N 0.121 120.176 120.200 -0.241 0.000 2.047 369 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 369 E C 1.425 177.974 176.600 -0.086 0.000 0.987 369 E CA 1.338 57.692 56.400 -0.076 0.000 0.799 369 E CB -0.693 29.005 29.700 -0.004 0.000 0.752 369 E HN 0.271 nan 8.360 nan 0.000 0.449 370 D N 0.126 120.468 120.400 -0.096 0.000 2.149 370 D HA -0.134 4.506 4.640 -0.000 0.000 0.198 370 D C 1.876 178.122 176.300 -0.090 0.000 0.990 370 D CA 0.768 54.719 54.000 -0.082 0.000 0.839 370 D CB -0.244 40.511 40.800 -0.076 0.000 0.948 370 D HN 0.133 nan 8.370 nan 0.000 0.460 371 c N -0.187 118.343 118.600 -0.117 0.000 2.468 371 c HA 0.110 4.679 4.570 -0.000 0.000 0.277 371 c C 2.524 176.539 174.090 -0.126 0.000 1.400 371 c CA -0.103 56.153 56.329 -0.123 0.000 1.770 371 c CB -0.845 41.577 42.510 -0.146 0.000 1.905 371 c HN 0.335 nan 8.230 nan 0.000 0.519 372 I N 0.764 121.262 120.570 -0.119 0.000 2.406 372 I HA -0.076 4.094 4.170 -0.000 0.000 0.249 372 I C 2.706 178.774 176.117 -0.082 0.000 1.122 372 I CA 1.331 62.569 61.300 -0.103 0.000 1.431 372 I CB -0.477 37.472 38.000 -0.086 0.000 1.087 372 I HN 0.214 nan 8.210 nan 0.000 0.424 373 A N 0.891 123.670 122.820 -0.070 0.000 1.930 373 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 373 A C 2.522 180.075 177.584 -0.052 0.000 1.175 373 A CA 1.715 53.718 52.037 -0.056 0.000 0.627 373 A CB -0.715 18.251 19.000 -0.057 0.000 0.815 373 A HN 0.403 nan 8.150 nan 0.000 0.443 374 A N -1.089 121.696 122.820 -0.059 0.000 1.930 374 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 374 A C 2.229 179.780 177.584 -0.055 0.000 1.175 374 A CA 2.137 54.147 52.037 -0.045 0.000 0.627 374 A CB -1.033 17.938 19.000 -0.049 0.000 0.815 374 A HN 0.410 nan 8.150 nan 0.000 0.443 375 T N -0.133 114.369 114.554 -0.087 0.000 2.985 375 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 375 T C 1.832 176.448 174.700 -0.140 0.000 1.076 375 T CA 1.403 63.434 62.100 -0.115 0.000 1.135 375 T CB -0.242 68.546 68.868 -0.135 0.000 0.890 375 T HN 0.445 nan 8.240 nan 0.000 0.480 376 M N 0.575 120.111 119.600 -0.107 0.000 2.200 376 M HA -0.002 4.477 4.480 -0.000 0.000 0.265 376 M C 2.250 178.515 176.300 -0.059 0.000 1.066 376 M CA 1.479 56.710 55.300 -0.114 0.000 1.127 376 M CB -0.228 32.345 32.600 -0.046 0.000 1.379 376 M HN 0.110 nan 8.290 nan 0.000 0.420 377 K N -0.377 120.035 120.400 0.020 0.000 2.007 377 K HA 0.024 4.344 4.320 -0.000 0.000 0.206 377 K C 1.329 178.047 176.600 0.197 0.000 1.047 377 K CA 1.331 57.695 56.287 0.128 0.000 0.937 377 K CB -0.055 32.495 32.500 0.083 0.000 0.718 377 K HN 0.515 nan 8.250 nan 0.000 0.438 378 G N 0.581 109.428 108.800 0.078 0.000 2.234 378 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.153 378 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.153 378 G C 0.440 175.370 174.900 0.050 0.000 1.013 378 G CA -0.070 45.087 45.100 0.095 0.000 0.712 378 G HN 0.230 nan 8.290 nan 0.000 0.491 379 E N -0.020 120.198 120.200 0.030 0.000 2.152 379 E HA 0.354 4.704 4.350 -0.000 0.000 0.192 379 E C 1.464 178.059 176.600 -0.007 0.000 0.983 379 E CA 1.042 57.453 56.400 0.018 0.000 0.818 379 E CB 0.230 29.942 29.700 0.021 0.000 0.758 379 E HN 0.702 nan 8.360 nan 0.000 0.467 380 A N 0.129 122.928 122.820 -0.035 0.000 2.435 380 A HA 0.349 4.669 4.320 -0.000 0.000 0.296 380 A C -0.378 177.156 177.584 -0.082 0.000 1.147 380 A CA -0.704 51.295 52.037 -0.062 0.000 0.775 380 A CB 1.402 20.343 19.000 -0.098 0.000 1.340 380 A HN -0.115 nan 8.150 nan 0.000 0.427 381 D N -0.705 119.637 120.400 -0.098 0.000 2.514 381 D HA 0.437 5.077 4.640 -0.000 0.000 0.249 381 D C 0.466 176.669 176.300 -0.162 0.000 1.036 381 D CA 1.503 55.447 54.000 -0.094 0.000 0.911 381 D CB 0.993 41.781 40.800 -0.019 0.000 1.145 381 D HN 0.795 nan 8.370 nan 0.000 0.495 382 A N 0.396 123.031 122.820 -0.308 0.000 2.609 382 A HA 0.796 5.116 4.320 -0.000 0.000 0.291 382 A C -1.423 175.504 177.584 -1.095 0.000 1.096 382 A CA -0.633 51.093 52.037 -0.520 0.000 0.684 382 A CB 1.678 20.429 19.000 -0.415 0.000 1.282 382 A HN 0.094 nan 8.150 nan 0.000 0.412 383 M N -0.869 118.132 119.600 -0.999 0.000 2.605 383 M HA 0.577 5.057 4.480 -0.000 0.000 0.281 383 M C -0.763 175.392 176.300 -0.242 0.000 1.166 383 M CA -0.410 54.313 55.300 -0.960 0.000 0.875 383 M CB 1.568 33.849 32.600 -0.533 0.000 1.732 383 M HN 0.675 nan 8.290 nan 0.000 0.504 384 S N 1.783 117.538 115.700 0.092 0.000 2.465 384 S HA 0.681 5.151 4.470 -0.000 0.000 0.279 384 S C -0.876 173.846 174.600 0.203 0.000 1.201 384 S CA -0.610 57.760 58.200 0.284 0.000 1.053 384 S CB 0.046 63.467 63.200 0.369 0.000 0.953 384 S HN 0.583 nan 8.310 nan 0.000 0.488 385 L N 4.309 125.687 121.223 0.258 0.000 2.296 385 L HA 0.411 4.751 4.340 -0.000 0.000 0.286 385 L C 0.348 177.392 176.870 0.291 0.000 1.023 385 L CA -0.976 53.980 54.840 0.193 0.000 0.812 385 L CB 1.579 43.631 42.059 -0.011 0.000 1.223 385 L HN 0.636 nan 8.230 nan 0.000 0.421 386 D N 2.237 122.842 120.400 0.342 0.000 2.341 386 D HA -0.020 4.620 4.640 -0.000 0.000 0.235 386 D C 1.388 177.868 176.300 0.300 0.000 1.265 386 D CA 0.887 55.106 54.000 0.365 0.000 0.888 386 D CB 1.137 42.192 40.800 0.425 0.000 1.192 386 D HN 0.589 nan 8.370 nan 0.000 0.462 387 G N 0.179 109.111 108.800 0.220 0.000 2.442 387 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 387 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 387 G C 1.350 176.344 174.900 0.157 0.000 1.141 387 G CA 0.786 45.934 45.100 0.079 0.000 0.763 387 G HN 0.591 nan 8.290 nan 0.000 0.554 388 G N -0.197 108.678 108.800 0.126 0.000 2.464 388 G HA2 0.032 3.992 3.960 -0.000 0.000 0.217 388 G HA3 0.032 3.992 3.960 -0.000 0.000 0.217 388 G C 1.414 176.267 174.900 -0.079 0.000 1.138 388 G CA 0.159 45.292 45.100 0.055 0.000 0.793 388 G HN 0.410 nan 8.290 nan 0.000 0.539 389 F N 0.884 120.907 119.950 0.122 0.000 2.743 389 F HA 0.327 4.854 4.527 -0.000 0.000 0.297 389 F C 2.645 178.359 175.800 -0.142 0.000 1.131 389 F CA 0.325 58.337 58.000 0.021 0.000 1.426 389 F CB 0.469 39.468 39.000 -0.003 0.000 1.116 389 F HN 0.198 nan 8.300 nan 0.000 0.583 390 A N -1.006 121.799 122.820 -0.026 0.000 2.067 390 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 390 A C 1.788 179.241 177.584 -0.218 0.000 1.156 390 A CA 0.784 52.536 52.037 -0.474 0.000 0.683 390 A CB -0.863 18.041 19.000 -0.160 0.000 0.808 390 A HN 0.493 nan 8.150 nan 0.000 0.455 391 Y N 0.372 120.643 120.300 -0.049 0.000 2.206 391 Y HA -0.086 4.463 4.550 -0.000 0.000 0.292 391 Y C 2.222 178.041 175.900 -0.135 0.000 1.123 391 Y CA 1.779 59.885 58.100 0.010 0.000 1.142 391 Y CB -0.269 38.309 38.460 0.196 0.000 1.006 391 Y HN 0.048 nan 8.280 nan 0.000 0.518 392 V N 0.897 120.841 119.914 0.051 0.000 2.233 392 V HA -0.347 3.773 4.120 -0.000 0.000 0.247 392 V C 2.723 178.709 176.094 -0.180 0.000 1.050 392 V CA 2.128 64.430 62.300 0.004 0.000 1.010 392 V CB -1.783 30.110 31.823 0.118 0.000 0.637 392 V HN 0.535 nan 8.190 nan 0.000 0.444 393 A N 0.468 123.152 122.820 -0.226 0.000 2.032 393 A HA -0.151 4.169 4.320 -0.000 0.000 0.221 393 A C 2.341 179.689 177.584 -0.393 0.000 1.165 393 A CA 2.125 53.981 52.037 -0.302 0.000 0.645 393 A CB -1.182 17.547 19.000 -0.452 0.000 0.807 393 A HN 0.582 nan 8.150 nan 0.000 0.453 394 G N -1.492 106.863 108.800 -0.740 0.000 2.414 394 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.215 394 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.215 394 G C 1.377 175.667 174.900 -1.017 0.000 1.188 394 G CA 0.862 45.174 45.100 -1.313 0.000 0.783 394 G HN 0.680 nan 8.290 nan 0.000 0.537 395 H N -0.380 118.184 119.070 -0.842 0.000 2.541 395 H HA -0.037 4.519 4.556 -0.000 0.000 0.289 395 H C 1.915 177.130 175.328 -0.188 0.000 1.054 395 H CA 0.851 56.673 56.048 -0.378 0.000 1.250 395 H CB -0.130 29.422 29.762 -0.350 0.000 1.369 395 H HN 0.302 nan 8.280 nan 0.000 0.578 396 c N -0.442 118.091 118.600 -0.112 0.000 2.791 396 c HA 0.316 4.886 4.570 -0.000 0.000 0.270 396 c C 1.878 175.953 174.090 -0.024 0.000 1.257 396 c CA 0.511 56.815 56.329 -0.041 0.000 1.699 396 c CB -0.321 42.156 42.510 -0.055 0.000 1.904 396 c HN 0.791 nan 8.230 nan 0.000 0.603 397 G N 0.836 109.614 108.800 -0.036 0.000 2.141 397 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.231 397 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.231 397 G C -0.083 174.831 174.900 0.023 0.000 0.984 397 G CA -0.228 44.883 45.100 0.018 0.000 0.660 397 G HN 0.496 nan 8.290 nan 0.000 0.525 398 L N 0.815 122.055 121.223 0.028 0.000 2.334 398 L HA 0.724 5.064 4.340 -0.000 0.000 0.277 398 L C 1.028 178.039 176.870 0.235 0.000 1.075 398 L CA -1.181 53.723 54.840 0.106 0.000 0.804 398 L CB 1.562 43.705 42.059 0.140 0.000 1.174 398 L HN 0.199 nan 8.230 nan 0.000 0.438 399 V N 0.296 120.275 119.914 0.107 0.000 2.881 399 V HA 0.640 4.760 4.120 -0.000 0.000 0.316 399 V C -2.599 173.200 176.094 -0.490 0.000 1.070 399 V CA -2.727 59.558 62.300 -0.026 0.000 0.976 399 V CB 1.336 33.143 31.823 -0.027 0.000 1.038 399 V HN 0.517 nan 8.190 nan 0.000 0.446 400 P HA 0.333 nan 4.420 nan 0.000 0.271 400 P C 0.278 177.243 177.300 -0.558 0.000 1.218 400 P CA -0.027 62.422 63.100 -1.086 0.000 0.780 400 P CB 1.184 32.372 31.700 -0.853 0.000 0.901 401 V N 1.893 121.519 119.914 -0.481 0.000 2.854 401 V HA 0.262 4.382 4.120 -0.000 0.000 0.236 401 V C 0.619 176.592 176.094 -0.202 0.000 1.157 401 V CA 0.718 62.865 62.300 -0.256 0.000 1.187 401 V CB -0.184 31.536 31.823 -0.173 0.000 0.949 401 V HN 0.358 nan 8.190 nan 0.000 0.488 402 L N -0.726 120.387 121.223 -0.184 0.000 2.506 402 L HA 0.742 5.082 4.340 -0.000 0.000 0.257 402 L C -0.497 176.332 176.870 -0.067 0.000 0.964 402 L CA -0.502 54.278 54.840 -0.100 0.000 0.836 402 L CB 2.151 44.166 42.059 -0.074 0.000 1.384 402 L HN 0.211 nan 8.230 nan 0.000 0.410 403 A N 1.389 124.203 122.820 -0.011 0.000 2.249 403 A HA 0.575 4.895 4.320 -0.000 0.000 0.281 403 A C -0.505 177.098 177.584 0.031 0.000 1.127 403 A CA -0.131 51.940 52.037 0.056 0.000 0.833 403 A CB 0.898 19.980 19.000 0.137 0.000 1.140 403 A HN 0.751 nan 8.150 nan 0.000 0.502 404 E N 0.225 120.430 120.200 0.008 0.000 2.265 404 E HA 0.279 4.629 4.350 -0.000 0.000 0.262 404 E C -1.363 175.031 176.600 -0.345 0.000 0.889 404 E CA -0.334 55.989 56.400 -0.128 0.000 0.789 404 E CB 0.884 30.586 29.700 0.003 0.000 1.221 404 E HN 0.740 nan 8.360 nan 0.000 0.414 405 N N 3.830 122.281 118.700 -0.415 0.000 2.370 405 N HA 0.290 5.030 4.740 -0.000 0.000 0.303 405 N C -0.711 174.487 175.510 -0.519 0.000 1.103 405 N CA -0.278 52.480 53.050 -0.486 0.000 0.848 405 N CB 1.071 39.406 38.487 -0.254 0.000 1.235 405 N HN 0.345 nan 8.380 nan 0.000 0.496 406 Y N 1.240 121.482 120.300 -0.096 0.000 2.956 406 Y HA 0.255 4.805 4.550 -0.000 0.000 0.418 406 Y C 1.020 176.855 175.900 -0.108 0.000 1.266 406 Y CA -0.984 57.050 58.100 -0.109 0.000 1.522 406 Y CB -0.242 38.178 38.460 -0.067 0.000 1.524 406 Y HN 0.374 nan 8.280 nan 0.000 0.799 407 L N 0.242 121.537 121.223 0.121 0.000 2.477 407 L HA 0.006 4.346 4.340 -0.000 0.000 0.289 407 L C 0.411 177.288 176.870 0.011 0.000 1.279 407 L CA 0.054 54.911 54.840 0.028 0.000 0.825 407 L CB 0.343 42.420 42.059 0.030 0.000 1.085 407 L HN 0.551 nan 8.230 nan 0.000 0.548 408 S N 0.230 115.923 115.700 -0.012 0.000 2.484 408 S HA 0.060 4.530 4.470 -0.000 0.000 0.256 408 S C 1.277 175.891 174.600 0.022 0.000 1.223 408 S CA 0.096 58.288 58.200 -0.013 0.000 1.002 408 S CB 0.712 63.894 63.200 -0.029 0.000 1.043 408 S HN 0.872 nan 8.310 nan 0.000 0.517 409 T N 1.086 115.653 114.554 0.022 0.000 2.918 409 T HA -0.179 4.171 4.350 -0.000 0.000 0.271 409 T C 1.062 175.841 174.700 0.131 0.000 1.104 409 T CA 1.887 64.017 62.100 0.050 0.000 1.114 409 T CB -0.462 68.427 68.868 0.035 0.000 0.855 409 T HN 0.754 nan 8.240 nan 0.000 0.518 410 H N -1.354 117.698 119.070 -0.030 0.000 4.020 410 H HA -0.232 4.324 4.556 -0.000 0.000 0.136 410 H C 1.510 176.821 175.328 -0.027 0.000 0.717 410 H CA 1.473 57.501 56.048 -0.034 0.000 1.244 410 H CB -1.262 28.479 29.762 -0.035 0.000 0.713 410 H HN 0.535 nan 8.280 nan 0.000 0.558 411 S N -0.228 115.483 115.700 0.019 0.000 2.414 411 S HA 0.117 4.587 4.470 -0.000 0.000 0.227 411 S C 1.180 175.739 174.600 -0.068 0.000 1.022 411 S CA 0.789 58.979 58.200 -0.016 0.000 0.958 411 S CB 0.372 63.580 63.200 0.013 0.000 0.797 411 S HN 0.358 nan 8.310 nan 0.000 0.493 412 S N 1.261 116.924 115.700 -0.062 0.000 2.429 412 S HA 0.625 5.095 4.470 -0.000 0.000 0.302 412 S C 0.191 174.734 174.600 -0.095 0.000 1.115 412 S CA -0.702 57.456 58.200 -0.069 0.000 1.095 412 S CB 0.566 63.737 63.200 -0.049 0.000 0.987 412 S HN 0.598 nan 8.310 nan 0.000 0.474 413 G N 3.777 112.513 108.800 -0.106 0.000 2.364 413 G HA2 0.478 4.438 3.960 -0.000 0.000 0.267 413 G HA3 0.478 4.438 3.960 -0.000 0.000 0.267 413 G C 0.017 174.865 174.900 -0.087 0.000 1.233 413 G CA -0.105 44.928 45.100 -0.112 0.000 0.885 413 G HN 1.037 nan 8.290 nan 0.000 0.490 414 R N 0.005 120.457 120.500 -0.080 0.000 4.097 414 R HA -0.099 4.241 4.340 -0.000 0.000 0.348 414 R C -1.419 174.836 176.300 -0.076 0.000 0.241 414 R CA 0.470 56.526 56.100 -0.073 0.000 1.138 414 R CB -0.862 29.390 30.300 -0.079 0.000 1.130 414 R HN 1.395 nan 8.270 nan 0.000 0.496 415 L N -1.865 119.305 121.223 -0.089 0.000 3.085 415 L HA 0.483 4.823 4.340 -0.000 0.000 0.242 415 L C 0.141 176.940 176.870 -0.119 0.000 0.985 415 L CA 1.270 56.051 54.840 -0.100 0.000 1.052 415 L CB 0.926 42.924 42.059 -0.102 0.000 1.495 415 L HN 1.076 nan 8.230 nan 0.000 0.409 416 G N 0.153 108.881 108.800 -0.119 0.000 3.110 416 G HA2 -0.090 3.869 3.960 -0.000 0.000 0.205 416 G HA3 -0.090 3.869 3.960 -0.000 0.000 0.205 416 G C -0.181 174.673 174.900 -0.077 0.000 1.019 416 G CA 0.088 45.122 45.100 -0.111 0.000 0.826 416 G HN 0.772 nan 8.290 nan 0.000 0.481 417 S N 2.327 117.979 115.700 -0.080 0.000 2.494 417 S HA 0.434 4.904 4.470 -0.000 0.000 0.312 417 S C 0.500 175.062 174.600 -0.065 0.000 1.121 417 S CA -0.075 58.083 58.200 -0.070 0.000 1.068 417 S CB 0.507 63.661 63.200 -0.076 0.000 1.141 417 S HN 0.439 nan 8.310 nan 0.000 0.527 418 K N 0.752 121.117 120.400 -0.059 0.000 4.075 418 K HA -0.208 4.112 4.320 -0.000 0.000 0.278 418 K C 0.862 177.425 176.600 -0.062 0.000 0.862 418 K CA 0.591 56.840 56.287 -0.064 0.000 0.762 418 K CB -1.836 30.621 32.500 -0.072 0.000 1.660 418 K HN 0.876 nan 8.250 nan 0.000 0.437 419 c N -1.440 117.121 118.600 -0.064 0.000 2.791 419 c HA 0.116 4.686 4.570 -0.000 0.000 0.270 419 c C 2.219 176.278 174.090 -0.053 0.000 1.257 419 c CA 0.079 56.366 56.329 -0.069 0.000 1.699 419 c CB -0.469 41.981 42.510 -0.099 0.000 1.904 419 c HN 0.511 nan 8.230 nan 0.000 0.603 420 V N 2.790 122.682 119.914 -0.036 0.000 2.363 420 V HA -0.255 3.865 4.120 -0.000 0.000 0.254 420 V C 1.957 178.054 176.094 0.006 0.000 1.074 420 V CA 2.476 64.780 62.300 0.006 0.000 1.069 420 V CB -0.758 31.051 31.823 -0.022 0.000 0.659 420 V HN 0.702 nan 8.190 nan 0.000 0.455 421 N N 0.077 118.764 118.700 -0.021 0.000 2.276 421 N HA 0.263 5.002 4.740 -0.000 0.000 0.212 421 N C 0.440 175.942 175.510 -0.013 0.000 1.127 421 N CA 0.530 53.572 53.050 -0.013 0.000 0.834 421 N CB 0.356 38.827 38.487 -0.026 0.000 1.014 421 N HN 0.513 nan 8.380 nan 0.000 0.491 422 A N 2.649 125.456 122.820 -0.021 0.000 2.454 422 A HA 0.267 4.587 4.320 -0.000 0.000 0.260 422 A C -1.858 175.718 177.584 -0.014 0.000 1.106 422 A CA -0.942 51.081 52.037 -0.024 0.000 0.780 422 A CB -0.040 18.935 19.000 -0.040 0.000 1.044 422 A HN 0.031 nan 8.150 nan 0.000 0.498 423 P HA 0.199 nan 4.420 nan 0.000 0.268 423 P C -0.977 176.316 177.300 -0.011 0.000 1.205 423 P CA -0.109 62.989 63.100 -0.003 0.000 0.771 423 P CB 0.823 32.521 31.700 -0.004 0.000 0.858 424 L N 2.626 123.846 121.223 -0.006 0.000 2.346 424 L HA 0.347 4.687 4.340 -0.000 0.000 0.276 424 L C 0.984 177.834 176.870 -0.034 0.000 1.006 424 L CA -0.308 54.521 54.840 -0.018 0.000 0.817 424 L CB 1.553 43.610 42.059 -0.004 0.000 1.272 424 L HN 0.315 nan 8.230 nan 0.000 0.421 425 E N 2.450 122.624 120.200 -0.043 0.000 2.207 425 E HA 0.564 4.914 4.350 -0.000 0.000 0.197 425 E C 0.395 176.935 176.600 -0.100 0.000 0.914 425 E CA 0.847 57.206 56.400 -0.068 0.000 0.914 425 E CB 0.470 30.139 29.700 -0.053 0.000 0.893 425 E HN 0.829 nan 8.360 nan 0.000 0.479 426 G N -1.594 107.171 108.800 -0.059 0.000 2.320 426 G HA2 0.185 4.145 3.960 -0.000 0.000 0.274 426 G HA3 0.185 4.145 3.960 -0.000 0.000 0.274 426 G C -1.480 173.432 174.900 0.021 0.000 1.324 426 G CA -0.449 44.623 45.100 -0.047 0.000 0.957 426 G HN 0.272 nan 8.290 nan 0.000 0.481 427 Y N -1.687 118.459 120.300 -0.258 0.000 2.698 427 Y HA 0.881 5.431 4.550 -0.000 0.000 0.332 427 Y C -1.029 174.446 175.900 -0.708 0.000 1.119 427 Y CA -2.365 55.368 58.100 -0.611 0.000 1.109 427 Y CB 0.615 38.678 38.460 -0.662 0.000 1.308 427 Y HN 0.643 nan 8.280 nan 0.000 0.499 428 Y N 0.176 120.144 120.300 -0.553 0.000 2.387 428 Y HA 0.623 5.173 4.550 -0.000 0.000 0.330 428 Y C -0.176 175.613 175.900 -0.185 0.000 1.133 428 Y CA -1.748 56.137 58.100 -0.357 0.000 1.152 428 Y CB 1.523 39.856 38.460 -0.212 0.000 1.215 428 Y HN 0.456 nan 8.280 nan 0.000 0.466 429 V N 3.634 123.585 119.914 0.061 0.000 2.630 429 V HA 0.803 4.923 4.120 -0.000 0.000 0.305 429 V C -0.348 175.840 176.094 0.156 0.000 1.046 429 V CA -0.782 61.579 62.300 0.102 0.000 0.934 429 V CB 1.696 33.557 31.823 0.063 0.000 1.003 429 V HN 0.648 nan 8.190 nan 0.000 0.451 430 V N 0.549 120.570 119.914 0.178 0.000 3.178 430 V HA 0.971 5.091 4.120 -0.000 0.000 0.302 430 V C -0.561 175.656 176.094 0.205 0.000 1.262 430 V CA -0.962 61.439 62.300 0.168 0.000 1.030 430 V CB 1.839 33.738 31.823 0.127 0.000 1.074 430 V HN 1.174 nan 8.190 nan 0.000 0.438 431 A N 2.041 124.965 122.820 0.174 0.000 2.316 431 A HA 0.823 5.143 4.320 -0.000 0.000 0.324 431 A C -0.383 177.173 177.584 -0.047 0.000 1.375 431 A CA -0.580 51.475 52.037 0.030 0.000 0.882 431 A CB 0.621 19.800 19.000 0.299 0.000 1.152 431 A HN 1.360 nan 8.150 nan 0.000 0.512 432 V N 2.556 122.391 119.914 -0.132 0.000 2.785 432 V HA 0.613 4.733 4.120 -0.000 0.000 0.300 432 V C 0.433 176.503 176.094 -0.039 0.000 1.062 432 V CA -0.315 61.948 62.300 -0.062 0.000 1.029 432 V CB 1.223 32.978 31.823 -0.115 0.000 1.024 432 V HN 0.988 nan 8.190 nan 0.000 0.477 433 V N 0.801 120.775 119.914 0.100 0.000 3.007 433 V HA 0.683 4.802 4.120 -0.000 0.000 0.311 433 V C -0.424 175.837 176.094 0.279 0.000 1.120 433 V CA -1.204 61.174 62.300 0.131 0.000 0.980 433 V CB 1.661 33.527 31.823 0.071 0.000 1.033 433 V HN 0.955 nan 8.190 nan 0.000 0.429 434 K N 1.392 121.899 120.400 0.179 0.000 2.155 434 K HA 0.502 4.822 4.320 -0.000 0.000 0.237 434 K C 0.474 176.999 176.600 -0.126 0.000 1.040 434 K CA -0.552 55.703 56.287 -0.054 0.000 0.912 434 K CB 0.745 33.219 32.500 -0.043 0.000 1.137 434 K HN 0.554 nan 8.250 nan 0.000 0.498 435 K N 0.406 120.664 120.400 -0.237 0.000 2.166 435 K HA 0.051 4.370 4.320 -0.000 0.000 0.201 435 K C 1.864 178.409 176.600 -0.092 0.000 1.052 435 K CA 1.119 57.315 56.287 -0.151 0.000 0.969 435 K CB -0.244 32.144 32.500 -0.188 0.000 0.761 435 K HN 0.639 nan 8.250 nan 0.000 0.459 436 S N 1.241 116.885 115.700 -0.094 0.000 2.407 436 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 436 S C 0.080 174.661 174.600 -0.032 0.000 1.036 436 S CA 1.292 59.459 58.200 -0.055 0.000 1.013 436 S CB -0.401 62.772 63.200 -0.046 0.000 0.820 436 S HN 0.374 nan 8.310 nan 0.000 0.476 437 D N 0.260 120.645 120.400 -0.025 0.000 2.264 437 D HA 0.282 4.922 4.640 -0.000 0.000 0.250 437 D C 0.209 176.508 176.300 -0.002 0.000 1.113 437 D CA -0.017 53.979 54.000 -0.006 0.000 0.871 437 D CB 2.061 42.865 40.800 0.006 0.000 1.167 437 D HN 0.007 nan 8.370 nan 0.000 0.447 438 V N 1.697 121.613 119.914 0.004 0.000 3.382 438 V HA 0.247 4.367 4.120 -0.000 0.000 0.296 438 V C 1.014 177.117 176.094 0.015 0.000 1.529 438 V CA 0.284 62.588 62.300 0.007 0.000 1.048 438 V CB 0.888 32.711 31.823 0.000 0.000 0.878 438 V HN 0.654 nan 8.190 nan 0.000 0.442 439 G N 0.864 109.676 108.800 0.019 0.000 3.993 439 G HA2 0.404 4.364 3.960 -0.000 0.000 0.294 439 G HA3 0.404 4.364 3.960 -0.000 0.000 0.294 439 G C -0.093 174.826 174.900 0.032 0.000 1.043 439 G CA -0.055 45.059 45.100 0.022 0.000 0.839 439 G HN 0.400 nan 8.290 nan 0.000 0.516 440 I N 1.117 121.713 120.570 0.043 0.000 2.410 440 I HA 0.374 4.544 4.170 -0.000 0.000 0.286 440 I C -0.068 176.100 176.117 0.085 0.000 1.009 440 I CA -0.473 60.863 61.300 0.061 0.000 1.111 440 I CB 2.256 40.293 38.000 0.061 0.000 1.262 440 I HN -0.017 nan 8.210 nan 0.000 0.443 441 T N 4.051 118.665 114.554 0.100 0.000 2.927 441 T HA 0.171 4.521 4.350 -0.000 0.000 0.286 441 T C 0.809 175.638 174.700 0.215 0.000 1.040 441 T CA -0.474 61.715 62.100 0.148 0.000 1.010 441 T CB 1.399 70.343 68.868 0.127 0.000 1.177 441 T HN 0.700 nan 8.240 nan 0.000 0.546 442 W N 1.770 123.117 121.300 0.078 0.000 2.325 442 W HA -0.157 4.503 4.660 -0.000 0.000 0.299 442 W C 1.424 178.014 176.519 0.119 0.000 1.215 442 W CA 1.522 58.931 57.345 0.107 0.000 1.244 442 W CB 0.074 29.581 29.460 0.078 0.000 1.140 442 W HN 0.710 nan 8.180 nan 0.000 0.523 443 K N 0.031 120.491 120.400 0.101 0.000 2.217 443 K HA -0.047 4.273 4.320 -0.000 0.000 0.202 443 K C 1.446 178.015 176.600 -0.052 0.000 1.051 443 K CA 1.173 57.445 56.287 -0.025 0.000 0.952 443 K CB -0.358 32.174 32.500 0.053 0.000 0.736 443 K HN -0.130 nan 8.250 nan 0.000 0.453 444 S N 1.581 117.284 115.700 0.005 0.000 2.930 444 S HA 0.165 4.635 4.470 -0.000 0.000 0.257 444 S C 1.031 175.645 174.600 0.024 0.000 1.208 444 S CA 0.053 58.255 58.200 0.003 0.000 1.233 444 S CB -0.223 62.998 63.200 0.034 0.000 0.900 444 S HN 0.187 nan 8.310 nan 0.000 0.472 445 L N 0.003 121.221 121.223 -0.008 0.000 2.463 445 L HA 0.191 4.531 4.340 -0.000 0.000 0.219 445 L C 1.212 178.090 176.870 0.013 0.000 1.088 445 L CA 0.074 54.999 54.840 0.141 0.000 0.849 445 L CB -0.036 42.120 42.059 0.162 0.000 1.012 445 L HN 0.300 nan 8.230 nan 0.000 0.468 446 Q N 1.011 120.583 119.800 -0.379 0.000 2.304 446 Q HA 0.116 4.456 4.340 -0.000 0.000 0.301 446 Q C 1.118 176.940 176.000 -0.296 0.000 1.063 446 Q CA 1.053 56.409 55.803 -0.745 0.000 0.947 446 Q CB 0.576 28.951 28.738 -0.605 0.000 1.201 446 Q HN 0.328 nan 8.270 nan 0.000 0.389 447 G N 2.876 111.524 108.800 -0.254 0.000 2.361 447 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.294 447 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.294 447 G C -0.072 174.905 174.900 0.129 0.000 1.004 447 G CA 0.692 45.785 45.100 -0.012 0.000 0.870 447 G HN 0.478 nan 8.290 nan 0.000 0.510 448 K N -0.541 120.043 120.400 0.307 0.000 2.502 448 K HA 0.535 4.854 4.320 -0.000 0.000 0.252 448 K C 0.607 177.396 176.600 0.316 0.000 1.043 448 K CA -0.556 55.916 56.287 0.309 0.000 0.999 448 K CB 0.624 33.322 32.500 0.330 0.000 1.343 448 K HN 0.245 nan 8.250 nan 0.000 0.513 449 K N 1.141 121.611 120.400 0.117 0.000 2.235 449 K HA 0.276 4.595 4.320 -0.000 0.000 0.266 449 K C -0.455 175.993 176.600 -0.253 0.000 0.980 449 K CA -0.417 55.856 56.287 -0.024 0.000 0.849 449 K CB 1.465 33.950 32.500 -0.024 0.000 1.098 449 K HN 0.623 nan 8.250 nan 0.000 0.445 450 S N 0.915 116.329 115.700 -0.477 0.000 2.536 450 S HA 0.586 5.056 4.470 -0.000 0.000 0.298 450 S C -0.398 173.909 174.600 -0.487 0.000 1.083 450 S CA -0.822 56.953 58.200 -0.707 0.000 0.995 450 S CB 1.076 63.397 63.200 -1.466 0.000 1.058 450 S HN 0.588 nan 8.310 nan 0.000 0.488 451 c N 3.089 121.337 118.600 -0.587 0.000 2.507 451 c HA 0.750 5.320 4.570 -0.000 0.000 0.319 451 c C -0.518 173.263 174.090 -0.515 0.000 1.208 451 c CA -0.536 55.540 56.329 -0.423 0.000 1.619 451 c CB 0.532 42.826 42.510 -0.360 0.000 2.230 451 c HN 0.947 nan 8.230 nan 0.000 0.492 452 H N 0.878 120.034 119.070 0.144 0.000 2.806 452 H HA 0.243 4.799 4.556 -0.000 0.000 0.367 452 H C 0.556 175.976 175.328 0.154 0.000 1.136 452 H CA -0.409 55.790 56.048 0.251 0.000 1.178 452 H CB 1.688 31.675 29.762 0.374 0.000 1.718 452 H HN 0.538 nan 8.280 nan 0.000 0.540 453 T N 1.702 116.407 114.554 0.252 0.000 2.597 453 T HA -0.025 4.325 4.350 -0.000 0.000 0.267 453 T C 0.665 175.413 174.700 0.080 0.000 1.053 453 T CA 2.019 64.180 62.100 0.103 0.000 1.165 453 T CB -0.012 68.922 68.868 0.110 0.000 0.863 453 T HN 0.787 nan 8.240 nan 0.000 0.427 454 A N -0.782 122.150 122.820 0.186 0.000 2.571 454 A HA 0.514 4.834 4.320 -0.000 0.000 0.296 454 A C -1.063 176.600 177.584 0.132 0.000 1.005 454 A CA -0.914 51.233 52.037 0.183 0.000 0.682 454 A CB 0.625 19.778 19.000 0.254 0.000 1.292 454 A HN 0.092 nan 8.150 nan 0.000 0.420 455 V N 1.524 121.391 119.914 -0.077 0.000 2.585 455 V HA 0.466 4.586 4.120 -0.000 0.000 0.296 455 V C 1.611 177.658 176.094 -0.078 0.000 1.035 455 V CA 2.031 64.089 62.300 -0.402 0.000 1.084 455 V CB 0.540 31.926 31.823 -0.728 0.000 0.953 455 V HN 2.589 nan 8.190 nan 0.000 0.483 456 G N 3.568 112.292 108.800 -0.126 0.000 2.238 456 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 456 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 456 G C 0.335 174.944 174.900 -0.485 0.000 0.996 456 G CA -0.004 44.874 45.100 -0.370 0.000 0.632 456 G HN 1.101 nan 8.290 nan 0.000 0.503 457 T N -0.394 114.132 114.554 -0.047 0.000 2.889 457 T HA 0.656 5.006 4.350 -0.000 0.000 0.291 457 T C 1.480 176.237 174.700 0.095 0.000 0.995 457 T CA 0.694 62.839 62.100 0.074 0.000 1.092 457 T CB 1.804 70.802 68.868 0.217 0.000 0.954 457 T HN 0.261 nan 8.240 nan 0.000 0.506 458 S N 1.873 117.627 115.700 0.090 0.000 2.359 458 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 458 S C 1.946 176.576 174.600 0.050 0.000 1.035 458 S CA 1.614 59.860 58.200 0.076 0.000 1.018 458 S CB -0.377 62.799 63.200 -0.039 0.000 0.876 458 S HN 0.991 nan 8.310 nan 0.000 0.448 459 E N 0.753 121.019 120.200 0.110 0.000 2.358 459 E HA 0.098 4.447 4.350 -0.000 0.000 0.195 459 E C 1.640 178.355 176.600 0.192 0.000 1.010 459 E CA 0.857 57.350 56.400 0.154 0.000 0.856 459 E CB -0.227 29.629 29.700 0.260 0.000 0.795 459 E HN 0.464 nan 8.360 nan 0.000 0.504 460 G N -0.716 108.209 108.800 0.209 0.000 2.759 460 G HA2 0.023 3.983 3.960 -0.000 0.000 0.208 460 G HA3 0.023 3.983 3.960 -0.000 0.000 0.208 460 G C 0.680 175.791 174.900 0.352 0.000 1.076 460 G CA -0.091 45.194 45.100 0.308 0.000 0.789 460 G HN 0.322 nan 8.290 nan 0.000 0.546 461 W N 0.353 121.607 121.300 -0.078 0.000 4.909 461 W HA 0.091 4.751 4.660 -0.000 0.000 0.180 461 W C 1.691 177.988 176.519 -0.370 0.000 2.269 461 W CA 0.194 57.405 57.345 -0.224 0.000 2.171 461 W CB -0.471 28.913 29.460 -0.128 0.000 1.191 461 W HN 0.164 nan 8.180 nan 0.000 0.907 462 N N 0.683 119.313 118.700 -0.115 0.000 2.122 462 N HA -0.275 4.465 4.740 -0.000 0.000 0.199 462 N C 1.349 176.450 175.510 -0.681 0.000 1.007 462 N CA 2.420 55.178 53.050 -0.487 0.000 0.892 462 N CB -0.383 38.023 38.487 -0.136 0.000 1.050 462 N HN -0.082 nan 8.380 nan 0.000 0.468 463 V N 0.378 120.066 119.914 -0.377 0.000 2.492 463 V HA -0.007 4.113 4.120 -0.000 0.000 0.241 463 V C -1.077 174.802 176.094 -0.357 0.000 1.041 463 V CA 1.097 63.214 62.300 -0.305 0.000 1.057 463 V CB -0.885 30.868 31.823 -0.117 0.000 0.711 463 V HN 0.151 nan 8.190 nan 0.000 0.468 464 P HA -0.136 nan 4.420 nan 0.000 0.213 464 P C 1.921 178.835 177.300 -0.643 0.000 1.170 464 P CA 1.554 64.296 63.100 -0.597 0.000 0.898 464 P CB -0.117 30.864 31.700 -1.198 0.000 0.787 465 M N -1.302 117.730 119.600 -0.946 0.000 2.296 465 M HA 0.041 4.521 4.480 -0.000 0.000 0.265 465 M C 2.200 178.130 176.300 -0.616 0.000 1.064 465 M CA 1.592 56.242 55.300 -1.084 0.000 1.109 465 M CB -2.187 29.221 32.600 -1.986 0.000 1.396 465 M HN -0.005 nan 8.290 nan 0.000 0.430 466 G N 0.297 108.628 108.800 -0.781 0.000 2.402 466 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.216 466 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.216 466 G C 1.681 176.498 174.900 -0.137 0.000 1.162 466 G CA 0.310 45.070 45.100 -0.567 0.000 0.777 466 G HN 0.412 nan 8.290 nan 0.000 0.539 467 L N 0.072 121.215 121.223 -0.133 0.000 2.217 467 L HA 0.148 4.488 4.340 -0.000 0.000 0.211 467 L C 2.687 179.597 176.870 0.067 0.000 1.107 467 L CA 0.278 55.135 54.840 0.029 0.000 0.783 467 L CB -0.171 41.971 42.059 0.138 0.000 0.919 467 L HN 0.210 nan 8.230 nan 0.000 0.442 468 I N -1.272 119.274 120.570 -0.040 0.000 2.406 468 I HA -0.292 3.878 4.170 -0.000 0.000 0.249 468 I C 2.340 178.494 176.117 0.062 0.000 1.122 468 I CA 1.128 62.363 61.300 -0.108 0.000 1.431 468 I CB -0.172 37.555 38.000 -0.455 0.000 1.087 468 I HN 0.220 nan 8.210 nan 0.000 0.424 469 Y N 1.785 122.134 120.300 0.082 0.000 2.574 469 Y HA -0.206 4.344 4.550 -0.000 0.000 0.294 469 Y C 1.666 177.601 175.900 0.058 0.000 1.142 469 Y CA 1.219 59.385 58.100 0.110 0.000 1.314 469 Y CB -0.102 38.504 38.460 0.243 0.000 0.991 469 Y HN 0.194 nan 8.280 nan 0.000 0.555 470 D N -0.577 119.813 120.400 -0.017 0.000 2.277 470 D HA -0.078 4.562 4.640 -0.000 0.000 0.209 470 D C 1.745 177.999 176.300 -0.077 0.000 0.970 470 D CA 0.909 54.858 54.000 -0.085 0.000 0.874 470 D CB -0.106 40.701 40.800 0.011 0.000 0.982 470 D HN 0.486 nan 8.370 nan 0.000 0.504 471 Q N -0.137 119.654 119.800 -0.016 0.000 2.245 471 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 471 Q C 1.927 177.917 176.000 -0.017 0.000 0.955 471 Q CA 1.428 57.236 55.803 0.009 0.000 0.870 471 Q CB 0.270 29.043 28.738 0.058 0.000 0.945 471 Q HN 0.374 nan 8.270 nan 0.000 0.461 472 T N -4.615 109.915 114.554 -0.040 0.000 3.044 472 T HA 0.294 4.643 4.350 -0.000 0.000 0.237 472 T C 1.511 176.123 174.700 -0.147 0.000 1.001 472 T CA 0.877 62.954 62.100 -0.040 0.000 1.160 472 T CB 0.479 69.379 68.868 0.053 0.000 0.889 472 T HN 0.333 nan 8.240 nan 0.000 0.442 473 G N 1.095 109.696 108.800 -0.333 0.000 2.218 473 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.216 473 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.216 473 G C 0.255 174.952 174.900 -0.339 0.000 0.994 473 G CA 0.335 45.158 45.100 -0.461 0.000 0.637 473 G HN 1.452 nan 8.290 nan 0.000 0.505 474 S N -1.435 114.203 115.700 -0.104 0.000 2.566 474 S HA 0.608 5.078 4.470 -0.000 0.000 0.298 474 S C 0.706 175.381 174.600 0.125 0.000 1.083 474 S CA -0.038 58.212 58.200 0.083 0.000 0.978 474 S CB 2.004 65.189 63.200 -0.026 0.000 1.073 474 S HN 0.618 nan 8.310 nan 0.000 0.491 475 c N 1.019 119.555 118.600 -0.107 0.000 2.673 475 c HA 0.362 4.932 4.570 -0.000 0.000 0.274 475 c C 0.584 174.150 174.090 -0.873 0.000 1.276 475 c CA -0.261 55.684 56.329 -0.640 0.000 1.701 475 c CB -2.085 40.147 42.510 -0.464 0.000 1.836 475 c HN 0.755 nan 8.230 nan 0.000 0.596 476 K N 0.968 121.077 120.400 -0.485 0.000 2.292 476 K HA 0.268 4.588 4.320 -0.000 0.000 0.290 476 K C 0.168 176.624 176.600 -0.240 0.000 1.083 476 K CA 0.022 56.150 56.287 -0.266 0.000 0.918 476 K CB -0.022 32.426 32.500 -0.087 0.000 1.089 476 K HN 0.216 nan 8.250 nan 0.000 0.473 477 F N 0.419 120.463 119.950 0.157 0.000 2.622 477 F HA -0.012 4.515 4.527 -0.000 0.000 0.288 477 F C 1.481 177.442 175.800 0.269 0.000 1.120 477 F CA -0.052 58.060 58.000 0.186 0.000 1.423 477 F CB 0.053 39.167 39.000 0.190 0.000 1.127 477 F HN 0.521 nan 8.300 nan 0.000 0.588 478 D N 0.294 120.929 120.400 0.391 0.000 2.358 478 D HA 0.024 4.664 4.640 -0.000 0.000 0.241 478 D C 1.413 177.857 176.300 0.240 0.000 1.094 478 D CA 0.866 55.054 54.000 0.314 0.000 0.907 478 D CB -0.061 40.877 40.800 0.230 0.000 0.893 478 D HN 0.316 nan 8.370 nan 0.000 0.528 479 A N -0.731 122.228 122.820 0.232 0.000 2.141 479 A HA 0.194 4.514 4.320 -0.000 0.000 0.201 479 A C 1.497 179.165 177.584 0.141 0.000 1.344 479 A CA -0.318 51.808 52.037 0.148 0.000 0.971 479 A CB -0.448 18.604 19.000 0.087 0.000 1.035 479 A HN 0.143 nan 8.150 nan 0.000 0.480 480 F N 0.408 120.373 119.950 0.024 0.000 2.060 480 F HA 0.197 4.724 4.527 -0.000 0.000 0.295 480 F C 0.317 176.018 175.800 -0.165 0.000 1.120 480 F CA 1.010 58.925 58.000 -0.141 0.000 1.205 480 F CB -0.142 38.708 39.000 -0.251 0.000 0.986 480 F HN 0.092 nan 8.300 nan 0.000 0.470 481 F N 0.233 120.458 119.950 0.458 0.000 2.385 481 F HA 0.201 4.727 4.527 -0.000 0.000 0.336 481 F C 1.615 177.526 175.800 0.184 0.000 1.100 481 F CA -0.333 57.852 58.000 0.309 0.000 1.116 481 F CB 1.196 40.408 39.000 0.353 0.000 1.166 481 F HN -0.070 nan 8.300 nan 0.000 0.511 482 S N 2.513 118.415 115.700 0.337 0.000 2.404 482 S HA -0.065 4.405 4.470 -0.000 0.000 0.216 482 S C 0.643 175.366 174.600 0.205 0.000 1.039 482 S CA 0.753 59.075 58.200 0.203 0.000 1.062 482 S CB -0.203 63.083 63.200 0.143 0.000 1.046 482 S HN 0.579 nan 8.310 nan 0.000 0.415 483 R N -0.239 120.369 120.500 0.181 0.000 2.854 483 R HA 0.775 5.114 4.340 -0.000 0.000 0.271 483 R C -0.825 175.556 176.300 0.135 0.000 0.996 483 R CA -0.288 55.901 56.100 0.149 0.000 0.961 483 R CB 2.023 32.383 30.300 0.101 0.000 1.182 483 R HN 0.415 nan 8.270 nan 0.000 0.479 484 S N -0.239 115.542 115.700 0.134 0.000 2.636 484 S HA 0.393 4.863 4.470 -0.000 0.000 0.268 484 S C -1.941 172.744 174.600 0.141 0.000 1.159 484 S CA -0.650 57.614 58.200 0.107 0.000 0.815 484 S CB 1.637 64.944 63.200 0.178 0.000 1.130 484 S HN 0.692 nan 8.310 nan 0.000 0.471 485 c N 3.013 121.702 118.600 0.148 0.000 2.455 485 c HA 0.865 5.435 4.570 -0.000 0.000 0.321 485 c C -0.207 174.041 174.090 0.263 0.000 1.102 485 c CA 0.166 56.605 56.329 0.183 0.000 1.413 485 c CB -0.640 41.987 42.510 0.196 0.000 1.952 485 c HN 1.016 nan 8.230 nan 0.000 0.428 486 A N 7.553 130.522 122.820 0.248 0.000 2.664 486 A HA 0.677 4.997 4.320 -0.000 0.000 0.338 486 A C -2.806 174.813 177.584 0.058 0.000 1.280 486 A CA -1.198 50.964 52.037 0.208 0.000 0.809 486 A CB 0.242 19.292 19.000 0.084 0.000 1.114 486 A HN 0.689 nan 8.150 nan 0.000 0.479 487 P HA 0.256 nan 4.420 nan 0.000 0.261 487 P C 1.162 178.475 177.300 0.021 0.000 1.183 487 P CA 2.054 65.208 63.100 0.090 0.000 0.761 487 P CB 0.767 32.608 31.700 0.234 0.000 0.785 488 G N 1.491 110.273 108.800 -0.031 0.000 2.231 488 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.206 488 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.206 488 G C 0.562 175.394 174.900 -0.113 0.000 0.996 488 G CA -0.091 44.972 45.100 -0.061 0.000 0.645 488 G HN 0.529 nan 8.290 nan 0.000 0.498 489 S N -0.014 115.608 115.700 -0.130 0.000 2.632 489 S HA 0.487 4.956 4.470 -0.000 0.000 0.267 489 S C 0.033 174.603 174.600 -0.050 0.000 1.193 489 S CA -0.021 58.104 58.200 -0.126 0.000 1.003 489 S CB 0.752 63.877 63.200 -0.126 0.000 1.073 489 S HN 0.403 nan 8.310 nan 0.000 0.553 490 D N 1.426 121.814 120.400 -0.020 0.000 2.434 490 D HA 0.175 4.815 4.640 -0.000 0.000 0.252 490 D C -1.738 174.569 176.300 0.012 0.000 1.185 490 D CA -1.549 52.452 54.000 0.002 0.000 0.886 490 D CB 0.807 41.620 40.800 0.021 0.000 1.148 490 D HN -0.027 nan 8.370 nan 0.000 0.483 491 P HA -0.136 nan 4.420 nan 0.000 0.216 491 P C -0.498 176.817 177.300 0.025 0.000 1.154 491 P CA 1.276 64.383 63.100 0.012 0.000 0.865 491 P CB 0.068 31.773 31.700 0.008 0.000 0.789 492 D N -1.418 118.998 120.400 0.027 0.000 2.970 492 D HA 0.255 4.894 4.640 -0.000 0.000 0.282 492 D C -0.230 176.097 176.300 0.044 0.000 1.291 492 D CA -0.548 53.472 54.000 0.034 0.000 0.967 492 D CB -0.449 40.367 40.800 0.028 0.000 1.017 492 D HN 0.066 nan 8.370 nan 0.000 0.512 493 S N -1.567 114.167 115.700 0.057 0.000 2.651 493 S HA 0.588 5.058 4.470 -0.000 0.000 0.279 493 S C -2.346 172.312 174.600 0.097 0.000 1.148 493 S CA -1.498 56.748 58.200 0.076 0.000 0.837 493 S CB 1.874 65.122 63.200 0.081 0.000 1.138 493 S HN -0.185 nan 8.310 nan 0.000 0.478 494 P HA 0.107 nan 4.420 nan 0.000 0.225 494 P C 0.996 178.404 177.300 0.180 0.000 1.148 494 P CA 0.716 63.905 63.100 0.148 0.000 0.779 494 P CB -0.083 31.718 31.700 0.169 0.000 0.780 495 L N -2.468 118.865 121.223 0.183 0.000 2.240 495 L HA -0.022 4.318 4.340 -0.000 0.000 0.211 495 L C 0.921 177.880 176.870 0.149 0.000 1.106 495 L CA 0.787 55.748 54.840 0.203 0.000 0.793 495 L CB -0.373 41.795 42.059 0.181 0.000 0.927 495 L HN -0.068 nan 8.230 nan 0.000 0.446 496 c N 0.109 118.774 118.600 0.109 0.000 2.792 496 c HA 0.574 5.144 4.570 -0.000 0.000 0.306 496 c C 1.555 175.695 174.090 0.085 0.000 1.462 496 c CA -0.295 56.085 56.329 0.085 0.000 1.640 496 c CB -0.706 41.835 42.510 0.051 0.000 2.434 496 c HN 0.462 nan 8.230 nan 0.000 0.538 497 A N 0.372 123.253 122.820 0.102 0.000 1.999 497 A HA 0.290 4.610 4.320 -0.000 0.000 0.200 497 A C 1.529 179.171 177.584 0.096 0.000 1.363 497 A CA 0.437 52.529 52.037 0.091 0.000 0.844 497 A CB -0.156 18.902 19.000 0.096 0.000 0.954 497 A HN 0.531 nan 8.150 nan 0.000 0.481 498 L N 0.635 121.926 121.223 0.112 0.000 2.599 498 L HA 0.035 4.375 4.340 -0.000 0.000 0.230 498 L C 0.152 177.165 176.870 0.238 0.000 1.141 498 L CA -0.503 54.416 54.840 0.133 0.000 0.877 498 L CB -0.547 41.558 42.059 0.077 0.000 1.009 498 L HN 0.290 nan 8.230 nan 0.000 0.447 499 c N -0.324 118.390 118.600 0.190 0.000 2.657 499 c HA 0.001 4.571 4.570 -0.000 0.000 0.420 499 c C 2.034 176.115 174.090 -0.015 0.000 1.323 499 c CA -0.292 56.131 56.329 0.156 0.000 1.894 499 c CB 1.453 44.007 42.510 0.073 0.000 2.681 499 c HN 0.269 nan 8.230 nan 0.000 0.613 500 V N 3.383 123.118 119.914 -0.300 0.000 3.307 500 V HA 0.338 4.458 4.120 -0.000 0.000 0.253 500 V C 1.389 177.352 176.094 -0.218 0.000 1.149 500 V CA 1.972 64.077 62.300 -0.326 0.000 1.112 500 V CB -0.684 30.765 31.823 -0.622 0.000 0.777 500 V HN 1.470 nan 8.190 nan 0.000 0.464 501 G N -0.212 108.449 108.800 -0.231 0.000 2.562 501 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.250 501 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.250 501 G C 0.544 175.373 174.900 -0.119 0.000 1.269 501 G CA -0.215 44.776 45.100 -0.181 0.000 0.919 501 G HN 1.305 nan 8.290 nan 0.000 0.574 502 G N -2.270 106.608 108.800 0.130 0.000 2.825 502 G HA2 0.502 4.462 3.960 -0.000 0.000 0.191 502 G HA3 0.502 4.462 3.960 -0.000 0.000 0.191 502 G C 0.616 175.640 174.900 0.207 0.000 1.708 502 G CA 1.223 46.477 45.100 0.257 0.000 0.813 502 G HN 0.966 nan 8.290 nan 0.000 0.799 503 N N -0.232 118.546 118.700 0.131 0.000 2.066 503 N HA 0.055 4.794 4.740 -0.000 0.000 0.232 503 N C 0.050 175.405 175.510 -0.259 0.000 1.316 503 N CA -0.343 52.668 53.050 -0.065 0.000 0.847 503 N CB 0.552 39.011 38.487 -0.047 0.000 1.165 503 N HN 0.321 nan 8.380 nan 0.000 0.471 504 N N 3.083 121.351 118.700 -0.721 0.000 2.454 504 N HA 0.084 4.824 4.740 -0.000 0.000 0.254 504 N C -2.631 172.638 175.510 -0.402 0.000 1.228 504 N CA -0.586 52.058 53.050 -0.677 0.000 0.900 504 N CB 0.898 38.827 38.487 -0.930 0.000 1.089 504 N HN -0.108 nan 8.380 nan 0.000 0.449 505 P HA 0.133 nan 4.420 nan 0.000 0.268 505 P C -0.970 176.303 177.300 -0.045 0.000 1.282 505 P CA 0.249 63.297 63.100 -0.086 0.000 0.880 505 P CB 0.132 31.794 31.700 -0.063 0.000 0.971 506 A N 3.723 126.547 122.820 0.007 0.000 2.753 506 A HA -0.156 4.164 4.320 -0.000 0.000 0.285 506 A C 0.391 178.046 177.584 0.118 0.000 1.405 506 A CA 0.883 52.950 52.037 0.050 0.000 0.727 506 A CB -2.762 16.251 19.000 0.021 0.000 1.101 506 A HN 0.915 nan 8.150 nan 0.000 0.412 507 H N -0.745 118.309 119.070 -0.026 0.000 3.192 507 H HA 0.539 5.095 4.556 -0.000 0.000 0.247 507 H C 0.040 175.345 175.328 -0.038 0.000 1.203 507 H CA 0.100 56.127 56.048 -0.034 0.000 0.973 507 H CB -0.343 29.396 29.762 -0.039 0.000 2.500 507 H HN 0.876 nan 8.280 nan 0.000 0.678 508 M N 1.694 121.313 119.600 0.031 0.000 2.227 508 M HA 0.235 4.715 4.480 -0.000 0.000 0.349 508 M C 0.604 176.858 176.300 -0.076 0.000 1.443 508 M CA 0.594 55.862 55.300 -0.053 0.000 1.110 508 M CB 0.104 32.711 32.600 0.012 0.000 1.773 508 M HN 0.645 nan 8.290 nan 0.000 0.463 509 c N 3.884 122.418 118.600 -0.110 0.000 4.552 509 c HA -0.092 4.478 4.570 -0.000 0.000 0.268 509 c C 0.907 174.948 174.090 -0.081 0.000 1.288 509 c CA 0.264 56.557 56.329 -0.060 0.000 1.776 509 c CB -2.814 39.687 42.510 -0.015 0.000 1.415 509 c HN 1.323 nan 8.230 nan 0.000 0.729 510 A N 0.315 123.042 122.820 -0.155 0.000 2.536 510 A HA 0.472 4.792 4.320 -0.000 0.000 0.234 510 A C 1.138 178.620 177.584 -0.170 0.000 1.076 510 A CA 0.939 52.881 52.037 -0.158 0.000 0.769 510 A CB 0.259 19.131 19.000 -0.213 0.000 1.020 510 A HN 2.028 nan 8.150 nan 0.000 0.508 511 A N 1.593 124.323 122.820 -0.150 0.000 2.412 511 A HA 0.383 4.703 4.320 -0.000 0.000 0.253 511 A C 0.418 177.811 177.584 -0.318 0.000 1.334 511 A CA 0.284 52.238 52.037 -0.139 0.000 0.929 511 A CB -1.236 17.731 19.000 -0.054 0.000 0.983 511 A HN 0.994 nan 8.150 nan 0.000 0.508 512 N N -2.358 116.026 118.700 -0.527 0.000 2.697 512 N HA 0.190 4.929 4.740 -0.000 0.000 0.272 512 N C -0.216 174.853 175.510 -0.735 0.000 1.381 512 N CA -1.005 51.713 53.050 -0.552 0.000 0.797 512 N CB 0.258 38.606 38.487 -0.231 0.000 1.523 512 N HN -0.112 nan 8.380 nan 0.000 0.518 513 N N -0.527 117.967 118.700 -0.343 0.000 2.666 513 N HA -0.058 4.681 4.740 -0.000 0.000 0.194 513 N C 0.493 175.957 175.510 -0.077 0.000 1.220 513 N CA 0.592 53.595 53.050 -0.079 0.000 0.928 513 N CB -0.296 38.240 38.487 0.082 0.000 0.997 513 N HN 0.703 nan 8.380 nan 0.000 0.447 514 A N 0.246 122.976 122.820 -0.150 0.000 2.238 514 A HA -0.012 4.308 4.320 -0.000 0.000 0.208 514 A C 0.841 178.273 177.584 -0.253 0.000 1.177 514 A CA 0.165 52.140 52.037 -0.103 0.000 0.804 514 A CB 0.052 19.035 19.000 -0.028 0.000 0.823 514 A HN 0.124 nan 8.150 nan 0.000 0.482 515 E N -0.562 119.496 120.200 -0.236 0.000 2.175 515 E HA 0.514 4.864 4.350 -0.000 0.000 0.278 515 E C 1.289 177.813 176.600 -0.126 0.000 0.969 515 E CA 0.091 56.362 56.400 -0.215 0.000 0.796 515 E CB 1.085 30.696 29.700 -0.149 0.000 1.104 515 E HN 0.053 nan 8.360 nan 0.000 0.395 516 G N 3.463 112.120 108.800 -0.238 0.000 2.440 516 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.218 516 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.218 516 G C 0.311 175.054 174.900 -0.261 0.000 1.154 516 G CA 0.758 45.655 45.100 -0.337 0.000 0.767 516 G HN 0.572 nan 8.290 nan 0.000 0.552 517 Y N 0.268 120.528 120.300 -0.066 0.000 2.811 517 Y HA 0.392 4.942 4.550 -0.000 0.000 0.330 517 Y C 0.358 176.265 175.900 0.011 0.000 1.081 517 Y CA -1.771 56.286 58.100 -0.071 0.000 1.408 517 Y CB -0.829 37.587 38.460 -0.075 0.000 1.235 517 Y HN 0.265 nan 8.280 nan 0.000 0.529 518 H N -0.052 119.059 119.070 0.067 0.000 2.467 518 H HA 0.640 5.196 4.556 -0.000 0.000 0.331 518 H C 0.632 176.002 175.328 0.069 0.000 1.120 518 H CA 0.431 56.515 56.048 0.060 0.000 1.270 518 H CB 0.917 30.691 29.762 0.019 0.000 1.466 518 H HN 0.525 nan 8.280 nan 0.000 0.504 519 G N 1.727 110.234 108.800 -0.488 0.000 2.631 519 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.504 519 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.504 519 G C 0.606 175.456 174.900 -0.084 0.000 1.306 519 G CA -0.099 44.852 45.100 -0.248 0.000 0.897 519 G HN 0.607 nan 8.290 nan 0.000 0.520 520 S N -0.375 115.306 115.700 -0.031 0.000 2.436 520 S HA 0.046 4.515 4.470 -0.000 0.000 0.228 520 S C 2.469 177.072 174.600 0.005 0.000 1.014 520 S CA 1.772 59.968 58.200 -0.008 0.000 0.950 520 S CB -0.053 63.138 63.200 -0.015 0.000 0.784 520 S HN 0.775 nan 8.310 nan 0.000 0.504 521 S N 1.149 116.874 115.700 0.042 0.000 2.421 521 S HA 0.097 4.567 4.470 -0.000 0.000 0.224 521 S C 2.179 176.832 174.600 0.090 0.000 1.035 521 S CA 0.678 58.949 58.200 0.118 0.000 0.953 521 S CB -0.518 62.794 63.200 0.186 0.000 0.810 521 S HN 0.604 nan 8.310 nan 0.000 0.497 522 G N 1.497 110.321 108.800 0.040 0.000 2.422 522 G HA2 0.009 3.969 3.960 -0.000 0.000 0.218 522 G HA3 0.009 3.969 3.960 -0.000 0.000 0.218 522 G C 1.472 176.360 174.900 -0.021 0.000 1.140 522 G CA 0.810 45.919 45.100 0.015 0.000 0.775 522 G HN 0.542 nan 8.290 nan 0.000 0.545 523 A N 0.401 123.191 122.820 -0.050 0.000 1.930 523 A HA 0.125 4.445 4.320 -0.000 0.000 0.217 523 A C 2.292 179.755 177.584 -0.201 0.000 1.175 523 A CA 1.489 53.452 52.037 -0.123 0.000 0.627 523 A CB -0.352 18.602 19.000 -0.077 0.000 0.815 523 A HN 0.399 nan 8.150 nan 0.000 0.443 524 L N -0.016 121.124 121.223 -0.138 0.000 2.017 524 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 524 L C 2.414 179.210 176.870 -0.123 0.000 1.073 524 L CA 2.365 57.123 54.840 -0.137 0.000 0.745 524 L CB -0.689 41.348 42.059 -0.037 0.000 0.894 524 L HN 0.460 nan 8.230 nan 0.000 0.432 525 R N -1.147 119.201 120.500 -0.252 0.000 2.091 525 R HA -0.244 4.096 4.340 -0.000 0.000 0.238 525 R C 2.596 178.643 176.300 -0.422 0.000 1.136 525 R CA 1.913 57.691 56.100 -0.537 0.000 0.959 525 R CB -0.930 28.703 30.300 -1.112 0.000 0.856 525 R HN 0.673 nan 8.270 nan 0.000 0.437 526 c N 0.394 118.547 118.600 -0.745 0.000 2.429 526 c HA -0.044 4.526 4.570 -0.000 0.000 0.277 526 c C 2.568 176.312 174.090 -0.576 0.000 1.262 526 c CA 0.688 56.231 56.329 -1.310 0.000 1.733 526 c CB -1.172 40.592 42.510 -1.243 0.000 2.010 526 c HN 0.664 nan 8.230 nan 0.000 0.483 527 L N 0.539 121.554 121.223 -0.348 0.000 2.046 527 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 527 L C 2.423 179.263 176.870 -0.050 0.000 1.077 527 L CA 1.934 56.667 54.840 -0.179 0.000 0.747 527 L CB -0.204 41.777 42.059 -0.129 0.000 0.896 527 L HN 0.316 nan 8.230 nan 0.000 0.432 528 V N -0.754 119.169 119.914 0.015 0.000 2.788 528 V HA -0.115 4.005 4.120 -0.000 0.000 0.251 528 V C 2.047 178.172 176.094 0.052 0.000 1.068 528 V CA 1.275 63.639 62.300 0.108 0.000 1.090 528 V CB -0.149 31.820 31.823 0.243 0.000 0.710 528 V HN 0.454 nan 8.190 nan 0.000 0.467 529 E N -0.270 119.920 120.200 -0.016 0.000 2.166 529 E HA 0.033 4.382 4.350 -0.000 0.000 0.192 529 E C 1.690 178.287 176.600 -0.004 0.000 0.967 529 E CA 0.583 56.996 56.400 0.021 0.000 0.840 529 E CB 0.294 30.046 29.700 0.086 0.000 0.795 529 E HN 0.509 nan 8.360 nan 0.000 0.470 530 K N -0.320 120.020 120.400 -0.100 0.000 2.757 530 K HA 0.158 4.478 4.320 -0.000 0.000 0.201 530 K C 1.061 177.606 176.600 -0.091 0.000 1.495 530 K CA 0.348 56.594 56.287 -0.069 0.000 1.090 530 K CB 0.536 33.016 32.500 -0.033 0.000 1.796 530 K HN -0.007 nan 8.250 nan 0.000 0.523 531 G N 0.839 109.537 108.800 -0.170 0.000 2.553 531 G HA2 0.039 3.999 3.960 -0.000 0.000 0.278 531 G HA3 0.039 3.999 3.960 -0.000 0.000 0.278 531 G C -0.167 174.663 174.900 -0.118 0.000 1.349 531 G CA -0.018 44.990 45.100 -0.153 0.000 1.037 531 G HN 0.091 nan 8.290 nan 0.000 0.508 532 D N -1.992 118.334 120.400 -0.124 0.000 2.753 532 D HA 0.082 4.722 4.640 -0.000 0.000 0.291 532 D C 0.351 176.581 176.300 -0.118 0.000 1.075 532 D CA 0.522 54.476 54.000 -0.077 0.000 0.946 532 D CB 0.858 41.642 40.800 -0.027 0.000 1.376 532 D HN 0.097 nan 8.370 nan 0.000 0.482 533 V N 1.671 121.458 119.914 -0.211 0.000 2.384 533 V HA 0.707 4.827 4.120 -0.000 0.000 0.287 533 V C -0.089 175.611 176.094 -0.655 0.000 1.020 533 V CA -0.825 61.267 62.300 -0.346 0.000 0.850 533 V CB 1.331 32.997 31.823 -0.262 0.000 0.987 533 V HN 0.160 nan 8.190 nan 0.000 0.436 534 A N 4.653 127.082 122.820 -0.651 0.000 2.337 534 A HA 0.973 5.292 4.320 -0.000 0.000 0.331 534 A C -1.204 175.881 177.584 -0.832 0.000 1.137 534 A CA -0.427 51.208 52.037 -0.670 0.000 0.807 534 A CB 1.055 19.834 19.000 -0.369 0.000 1.250 534 A HN 0.620 nan 8.150 nan 0.000 0.468 535 F N 1.356 121.237 119.950 -0.114 0.000 2.477 535 F HA 0.682 5.209 4.527 -0.000 0.000 0.335 535 F C 0.379 176.194 175.800 0.025 0.000 1.130 535 F CA -0.314 57.683 58.000 -0.005 0.000 0.948 535 F CB 1.739 40.776 39.000 0.061 0.000 1.154 535 F HN 0.743 nan 8.300 nan 0.000 0.439 536 M N 1.153 120.861 119.600 0.181 0.000 3.213 536 M HA 0.541 5.021 4.480 -0.000 0.000 0.278 536 M C -0.930 175.456 176.300 0.144 0.000 1.332 536 M CA -1.134 54.244 55.300 0.130 0.000 0.810 536 M CB 2.245 34.872 32.600 0.044 0.000 1.676 536 M HN 0.428 nan 8.290 nan 0.000 0.463 537 K N -0.270 120.204 120.400 0.124 0.000 3.029 537 K HA 0.322 4.642 4.320 -0.000 0.000 0.347 537 K C 0.234 176.898 176.600 0.108 0.000 0.994 537 K CA -0.520 55.859 56.287 0.153 0.000 1.278 537 K CB -0.422 32.084 32.500 0.009 0.000 1.270 537 K HN 0.551 nan 8.250 nan 0.000 0.550 538 H N 0.995 120.119 119.070 0.090 0.000 2.598 538 H HA -0.015 4.541 4.556 -0.000 0.000 0.396 538 H C -1.864 173.476 175.328 0.019 0.000 1.954 538 H CA -0.928 55.155 56.048 0.059 0.000 1.449 538 H CB -0.723 29.003 29.762 -0.061 0.000 1.554 538 H HN 0.359 nan 8.280 nan 0.000 0.554 539 P HA -0.011 nan 4.420 nan 0.000 0.248 539 P C 0.347 177.665 177.300 0.030 0.000 1.550 539 P CA 0.505 63.655 63.100 0.083 0.000 1.252 539 P CB -0.438 31.303 31.700 0.068 0.000 1.869 540 T N -0.464 114.095 114.554 0.008 0.000 2.995 540 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 540 T C 1.733 176.414 174.700 -0.032 0.000 1.091 540 T CA 0.774 62.861 62.100 -0.022 0.000 1.128 540 T CB -0.271 68.581 68.868 -0.028 0.000 0.891 540 T HN 0.201 nan 8.240 nan 0.000 0.492 541 V N 1.278 121.154 119.914 -0.064 0.000 2.515 541 V HA -0.018 4.102 4.120 -0.000 0.000 0.250 541 V C 2.102 178.205 176.094 0.014 0.000 1.058 541 V CA 1.205 63.444 62.300 -0.101 0.000 1.064 541 V CB -0.473 31.189 31.823 -0.268 0.000 0.675 541 V HN 0.373 nan 8.190 nan 0.000 0.461 542 L N 0.537 121.786 121.223 0.043 0.000 2.141 542 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 542 L C 2.441 179.335 176.870 0.041 0.000 1.094 542 L CA 2.001 56.887 54.840 0.076 0.000 0.763 542 L CB -0.738 41.357 42.059 0.060 0.000 0.908 542 L HN 0.430 nan 8.230 nan 0.000 0.437 543 Q N -0.939 118.869 119.800 0.013 0.000 2.472 543 Q HA -0.032 4.308 4.340 -0.000 0.000 0.208 543 Q C 0.924 176.924 176.000 -0.001 0.000 0.958 543 Q CA 0.826 56.628 55.803 -0.001 0.000 0.932 543 Q CB 0.103 28.830 28.738 -0.018 0.000 1.007 543 Q HN 0.628 nan 8.270 nan 0.000 0.508 544 N N -0.334 118.367 118.700 0.002 0.000 2.382 544 N HA -0.004 4.736 4.740 -0.000 0.000 0.200 544 N C 0.644 176.136 175.510 -0.031 0.000 1.122 544 N CA 0.558 53.594 53.050 -0.023 0.000 0.870 544 N CB 0.536 39.019 38.487 -0.008 0.000 1.176 544 N HN 0.156 nan 8.380 nan 0.000 0.474 545 T N -0.339 114.232 114.554 0.027 0.000 2.754 545 T HA 0.143 4.493 4.350 -0.000 0.000 0.286 545 T C 0.196 174.928 174.700 0.054 0.000 0.997 545 T CA -0.117 62.020 62.100 0.062 0.000 0.982 545 T CB 0.812 69.768 68.868 0.147 0.000 1.027 545 T HN 0.103 nan 8.240 nan 0.000 0.529 546 D N -0.340 120.097 120.400 0.062 0.000 3.012 546 D HA -0.161 4.479 4.640 -0.000 0.000 0.222 546 D C 0.887 177.195 176.300 0.014 0.000 1.167 546 D CA 1.501 55.535 54.000 0.058 0.000 0.854 546 D CB -1.774 39.089 40.800 0.106 0.000 1.107 546 D HN 1.646 nan 8.370 nan 0.000 0.421 547 G N 0.426 109.215 108.800 -0.018 0.000 2.326 547 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.286 547 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.286 547 G C 0.694 175.570 174.900 -0.040 0.000 1.096 547 G CA 0.573 45.648 45.100 -0.042 0.000 1.003 547 G HN 0.469 nan 8.290 nan 0.000 0.503 548 K N -0.643 119.730 120.400 -0.045 0.000 2.374 548 K HA 0.069 4.389 4.320 -0.000 0.000 0.196 548 K C 0.730 177.302 176.600 -0.047 0.000 1.023 548 K CA 0.842 57.108 56.287 -0.035 0.000 1.103 548 K CB 0.196 32.683 32.500 -0.021 0.000 0.848 548 K HN 0.753 nan 8.250 nan 0.000 0.528 549 N N -0.791 117.860 118.700 -0.081 0.000 2.260 549 N HA 0.205 4.945 4.740 -0.000 0.000 0.293 549 N C -2.831 172.613 175.510 -0.111 0.000 1.058 549 N CA -1.860 51.137 53.050 -0.089 0.000 0.824 549 N CB 1.448 39.867 38.487 -0.114 0.000 1.551 549 N HN -0.336 nan 8.380 nan 0.000 0.475 550 P HA -0.001 nan 4.420 nan 0.000 0.269 550 P C -0.867 176.381 177.300 -0.086 0.000 1.376 550 P CA 0.429 63.489 63.100 -0.066 0.000 0.775 550 P CB -0.051 31.630 31.700 -0.032 0.000 1.345 551 E N 0.479 120.577 120.200 -0.169 0.000 2.289 551 E HA 0.076 4.426 4.350 -0.000 0.000 0.278 551 E C -1.582 174.846 176.600 -0.287 0.000 1.032 551 E CA -1.816 54.433 56.400 -0.251 0.000 0.854 551 E CB 0.599 29.996 29.700 -0.505 0.000 1.046 551 E HN 0.122 nan 8.360 nan 0.000 0.409 552 P HA -0.172 nan 4.420 nan 0.000 0.217 552 P C 0.925 178.228 177.300 0.004 0.000 1.150 552 P CA 1.021 64.105 63.100 -0.027 0.000 0.832 552 P CB 0.029 31.771 31.700 0.070 0.000 0.787 553 W N -0.837 120.491 121.300 0.047 0.000 2.658 553 W HA 0.339 4.999 4.660 -0.000 0.000 0.263 553 W C 1.207 177.763 176.519 0.061 0.000 1.274 553 W CA 0.742 58.122 57.345 0.058 0.000 1.343 553 W CB -1.252 28.252 29.460 0.074 0.000 1.106 553 W HN -0.119 nan 8.180 nan 0.000 0.615 554 A N 1.046 123.383 122.820 -0.806 0.000 2.195 554 A HA 0.038 4.358 4.320 -0.000 0.000 0.210 554 A C 1.336 178.744 177.584 -0.293 0.000 1.165 554 A CA 0.024 51.627 52.037 -0.723 0.000 0.806 554 A CB -0.406 17.894 19.000 -1.166 0.000 0.847 554 A HN -0.007 nan 8.150 nan 0.000 0.482 555 K N 1.235 121.504 120.400 -0.217 0.000 2.165 555 K HA 0.224 4.544 4.320 -0.000 0.000 0.270 555 K C 0.442 177.014 176.600 -0.047 0.000 1.091 555 K CA 0.874 57.095 56.287 -0.110 0.000 1.019 555 K CB -0.891 31.560 32.500 -0.081 0.000 1.101 555 K HN 0.667 nan 8.250 nan 0.000 0.397 556 G N 3.104 111.881 108.800 -0.037 0.000 2.240 556 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.181 556 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.181 556 G C -0.839 174.060 174.900 -0.002 0.000 1.028 556 G CA -0.645 44.447 45.100 -0.013 0.000 0.760 556 G HN 0.413 nan 8.290 nan 0.000 0.508 557 L N 0.660 121.887 121.223 0.008 0.000 2.334 557 L HA 0.802 5.142 4.340 -0.000 0.000 0.273 557 L C 0.221 177.112 176.870 0.036 0.000 1.013 557 L CA -0.524 54.348 54.840 0.053 0.000 0.816 557 L CB 1.807 43.956 42.059 0.150 0.000 1.278 557 L HN 0.077 nan 8.230 nan 0.000 0.431 558 K N -0.237 120.168 120.400 0.009 0.000 2.469 558 K HA 0.304 4.624 4.320 -0.000 0.000 0.254 558 K C 0.326 176.872 176.600 -0.089 0.000 0.939 558 K CA -0.783 55.459 56.287 -0.076 0.000 0.812 558 K CB 1.968 34.340 32.500 -0.212 0.000 1.301 558 K HN 0.726 nan 8.250 nan 0.000 0.433 559 H N 0.511 119.651 119.070 0.116 0.000 2.426 559 H HA -0.184 4.371 4.556 -0.000 0.000 0.298 559 H C 1.183 176.587 175.328 0.126 0.000 1.107 559 H CA 2.079 58.211 56.048 0.139 0.000 1.298 559 H CB 0.021 29.832 29.762 0.081 0.000 1.377 559 H HN 0.741 nan 8.280 nan 0.000 0.519 560 E N 0.359 120.161 120.200 -0.664 0.000 2.502 560 E HA -0.084 4.265 4.350 -0.000 0.000 0.194 560 E C 0.508 176.997 176.600 -0.185 0.000 1.062 560 E CA 0.606 56.853 56.400 -0.254 0.000 0.867 560 E CB 0.075 29.607 29.700 -0.280 0.000 0.888 560 E HN 0.458 nan 8.360 nan 0.000 0.510 561 D N 0.079 120.331 120.400 -0.247 0.000 2.347 561 D HA 0.091 4.731 4.640 -0.000 0.000 0.213 561 D C -0.613 175.358 176.300 -0.548 0.000 0.985 561 D CA 0.499 54.264 54.000 -0.391 0.000 0.879 561 D CB 0.092 40.583 40.800 -0.514 0.000 0.919 561 D HN 0.116 nan 8.370 nan 0.000 0.526 562 F N 0.599 120.529 119.950 -0.033 0.000 2.532 562 F HA 0.416 4.943 4.527 -0.000 0.000 0.321 562 F C 0.622 176.425 175.800 0.005 0.000 1.089 562 F CA -0.848 57.147 58.000 -0.009 0.000 0.926 562 F CB 1.882 40.884 39.000 0.003 0.000 1.168 562 F HN -0.386 nan 8.300 nan 0.000 0.459 563 E N 2.059 122.379 120.200 0.202 0.000 2.378 563 E HA 0.688 5.037 4.350 -0.000 0.000 0.265 563 E C -1.388 175.279 176.600 0.111 0.000 0.932 563 E CA -0.999 55.473 56.400 0.120 0.000 0.795 563 E CB 2.808 32.549 29.700 0.068 0.000 1.296 563 E HN 0.388 nan 8.360 nan 0.000 0.438 564 L N 1.241 122.510 121.223 0.076 0.000 2.330 564 L HA 0.504 4.844 4.340 -0.000 0.000 0.271 564 L C -0.695 176.209 176.870 0.056 0.000 1.013 564 L CA -0.937 53.940 54.840 0.061 0.000 0.816 564 L CB 0.972 43.058 42.059 0.044 0.000 1.287 564 L HN 0.285 nan 8.230 nan 0.000 0.435 565 L N 2.106 123.374 121.223 0.074 0.000 2.283 565 L HA 0.388 4.727 4.340 -0.000 0.000 0.281 565 L C -0.434 176.444 176.870 0.013 0.000 1.033 565 L CA -0.532 54.372 54.840 0.107 0.000 0.848 565 L CB 0.938 43.139 42.059 0.238 0.000 1.226 565 L HN 0.688 nan 8.230 nan 0.000 0.429 566 c N 2.100 120.667 118.600 -0.055 0.000 2.422 566 c HA 0.244 4.813 4.570 -0.000 0.000 0.364 566 c C 2.092 176.004 174.090 -0.298 0.000 1.251 566 c CA -1.058 55.154 56.329 -0.194 0.000 2.441 566 c CB 0.879 43.292 42.510 -0.160 0.000 2.393 566 c HN 0.663 nan 8.230 nan 0.000 0.606 567 L N 2.085 123.016 121.223 -0.488 0.000 2.081 567 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 567 L C 2.307 179.044 176.870 -0.223 0.000 1.080 567 L CA 2.557 57.038 54.840 -0.598 0.000 0.754 567 L CB -1.521 40.241 42.059 -0.495 0.000 0.893 567 L HN 0.877 nan 8.230 nan 0.000 0.433 568 D N -1.107 119.208 120.400 -0.142 0.000 2.178 568 D HA -0.037 4.603 4.640 -0.000 0.000 0.202 568 D C 1.595 177.900 176.300 0.010 0.000 0.974 568 D CA 1.311 55.281 54.000 -0.050 0.000 0.841 568 D CB -0.196 40.569 40.800 -0.059 0.000 0.953 568 D HN 0.348 nan 8.370 nan 0.000 0.478 569 G N -1.520 107.289 108.800 0.014 0.000 2.273 569 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.162 569 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.162 569 G C 0.233 175.160 174.900 0.044 0.000 1.006 569 G CA -0.005 45.137 45.100 0.070 0.000 0.704 569 G HN 0.408 nan 8.290 nan 0.000 0.487 570 T N 0.754 115.312 114.554 0.007 0.000 2.899 570 T HA 0.538 4.888 4.350 -0.000 0.000 0.295 570 T C 0.604 175.313 174.700 0.015 0.000 1.033 570 T CA 0.099 62.201 62.100 0.003 0.000 1.084 570 T CB 1.336 70.192 68.868 -0.021 0.000 0.979 570 T HN 0.245 nan 8.240 nan 0.000 0.532 571 R N 1.610 122.122 120.500 0.019 0.000 2.724 571 R HA 0.208 4.548 4.340 -0.000 0.000 0.284 571 R C -0.213 176.100 176.300 0.023 0.000 1.481 571 R CA -0.402 55.715 56.100 0.029 0.000 1.652 571 R CB 0.586 30.908 30.300 0.036 0.000 1.175 571 R HN 0.488 nan 8.270 nan 0.000 0.613 572 K N 1.455 121.864 120.400 0.015 0.000 2.202 572 K HA 0.243 4.562 4.320 -0.000 0.000 0.264 572 K C -2.365 174.256 176.600 0.035 0.000 1.010 572 K CA -1.783 54.513 56.287 0.015 0.000 0.940 572 K CB 0.475 32.973 32.500 -0.003 0.000 0.983 572 K HN 0.016 nan 8.250 nan 0.000 0.475 573 P HA -0.111 nan 4.420 nan 0.000 0.267 573 P C 0.827 178.174 177.300 0.077 0.000 1.200 573 P CA -0.068 63.074 63.100 0.069 0.000 0.772 573 P CB 0.559 32.303 31.700 0.073 0.000 0.855 574 V N 2.588 122.567 119.914 0.109 0.000 2.660 574 V HA -0.250 3.870 4.120 -0.000 0.000 0.257 574 V C 2.086 178.230 176.094 0.083 0.000 1.088 574 V CA 2.847 65.208 62.300 0.102 0.000 1.106 574 V CB -1.233 30.666 31.823 0.127 0.000 0.686 574 V HN 0.754 nan 8.190 nan 0.000 0.481 575 T N -0.636 113.965 114.554 0.078 0.000 2.915 575 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 575 T C 0.959 175.672 174.700 0.022 0.000 1.071 575 T CA 0.966 63.094 62.100 0.046 0.000 1.132 575 T CB -0.329 68.563 68.868 0.039 0.000 0.878 575 T HN 0.548 nan 8.240 nan 0.000 0.479 576 E N 1.317 121.533 120.200 0.025 0.000 2.127 576 E HA 0.439 4.789 4.350 -0.000 0.000 0.262 576 E C 0.306 176.905 176.600 -0.001 0.000 1.144 576 E CA -0.147 56.254 56.400 0.002 0.000 1.144 576 E CB 0.477 30.175 29.700 -0.003 0.000 1.297 576 E HN 0.479 nan 8.360 nan 0.000 0.469 577 A N 1.609 124.436 122.820 0.011 0.000 2.387 577 A HA 0.007 4.327 4.320 -0.000 0.000 0.234 577 A C 1.695 179.189 177.584 -0.151 0.000 1.253 577 A CA -0.023 52.023 52.037 0.015 0.000 0.894 577 A CB 0.207 19.294 19.000 0.145 0.000 0.963 577 A HN 0.327 nan 8.150 nan 0.000 0.508 578 Q N 0.073 119.776 119.800 -0.162 0.000 2.354 578 Q HA -0.045 4.295 4.340 -0.000 0.000 0.203 578 Q C 1.629 177.536 176.000 -0.155 0.000 0.933 578 Q CA 1.534 57.165 55.803 -0.287 0.000 0.901 578 Q CB 0.107 28.789 28.738 -0.094 0.000 1.007 578 Q HN 0.656 nan 8.270 nan 0.000 0.495 579 S N -2.025 113.589 115.700 -0.143 0.000 2.554 579 S HA 0.121 4.590 4.470 -0.000 0.000 0.227 579 S C 0.604 175.048 174.600 -0.260 0.000 1.050 579 S CA -0.336 57.751 58.200 -0.188 0.000 0.927 579 S CB 0.514 63.644 63.200 -0.117 0.000 0.859 579 S HN 0.296 nan 8.310 nan 0.000 0.494 580 c N 4.208 122.694 118.600 -0.190 0.000 2.627 580 c HA 0.721 5.291 4.570 -0.000 0.000 0.369 580 c C -0.355 173.660 174.090 -0.125 0.000 1.246 580 c CA -0.653 55.573 56.329 -0.172 0.000 1.663 580 c CB -2.174 40.286 42.510 -0.084 0.000 1.778 580 c HN 0.746 nan 8.230 nan 0.000 0.516 581 H N 0.014 118.972 119.070 -0.186 0.000 2.928 581 H HA 0.645 5.201 4.556 -0.000 0.000 0.371 581 H C 0.072 175.302 175.328 -0.163 0.000 1.186 581 H CA -1.057 54.899 56.048 -0.154 0.000 1.134 581 H CB 0.455 30.099 29.762 -0.197 0.000 1.824 581 H HN 0.010 nan 8.280 nan 0.000 0.554 582 L N 0.964 122.232 121.223 0.076 0.000 2.044 582 L HA 0.401 4.741 4.340 -0.000 0.000 0.205 582 L C 0.960 177.889 176.870 0.098 0.000 1.075 582 L CA 2.133 56.953 54.840 -0.033 0.000 0.747 582 L CB -0.564 41.496 42.059 0.000 0.000 0.903 582 L HN 0.986 nan 8.230 nan 0.000 0.435 583 A N -2.128 120.844 122.820 0.254 0.000 2.566 583 A HA 0.593 4.913 4.320 -0.000 0.000 0.290 583 A C -1.128 176.467 177.584 0.017 0.000 1.071 583 A CA -0.696 51.460 52.037 0.198 0.000 0.658 583 A CB 0.976 20.015 19.000 0.065 0.000 1.285 583 A HN -0.113 nan 8.150 nan 0.000 0.427 584 R N 0.906 121.394 120.500 -0.020 0.000 2.265 584 R HA 0.561 4.901 4.340 -0.000 0.000 0.328 584 R C -0.630 175.556 176.300 -0.190 0.000 0.969 584 R CA 0.005 56.039 56.100 -0.110 0.000 0.832 584 R CB 0.622 30.915 30.300 -0.012 0.000 1.139 584 R HN 1.282 nan 8.270 nan 0.000 0.457 585 V N 2.462 122.130 119.914 -0.410 0.000 2.975 585 V HA 0.732 4.852 4.120 -0.000 0.000 0.318 585 V C -2.503 173.209 176.094 -0.636 0.000 1.077 585 V CA -2.754 59.193 62.300 -0.588 0.000 1.000 585 V CB 1.703 33.073 31.823 -0.756 0.000 1.066 585 V HN 0.545 nan 8.190 nan 0.000 0.452 586 P HA 0.212 nan 4.420 nan 0.000 0.272 586 P C -0.621 176.557 177.300 -0.203 0.000 1.240 586 P CA -0.252 62.599 63.100 -0.414 0.000 0.791 586 P CB 0.326 31.742 31.700 -0.474 0.000 0.978 587 N N 1.339 120.047 118.700 0.014 0.000 2.503 587 N HA 0.126 4.866 4.740 -0.000 0.000 0.267 587 N C 0.122 175.863 175.510 0.385 0.000 1.214 587 N CA -0.153 53.058 53.050 0.268 0.000 0.959 587 N CB 0.486 39.045 38.487 0.119 0.000 1.142 587 N HN 0.239 nan 8.380 nan 0.000 0.455 588 R N 0.745 121.490 120.500 0.409 0.000 2.643 588 R HA 0.403 4.743 4.340 -0.000 0.000 0.270 588 R C -0.255 176.268 176.300 0.372 0.000 1.061 588 R CA -0.091 56.251 56.100 0.404 0.000 1.107 588 R CB 0.386 30.912 30.300 0.377 0.000 0.999 588 R HN 0.513 nan 8.270 nan 0.000 0.460 589 A N 1.873 124.933 122.820 0.401 0.000 2.532 589 A HA 0.547 4.867 4.320 -0.000 0.000 0.290 589 A C -0.942 176.853 177.584 0.351 0.000 1.143 589 A CA -0.744 51.453 52.037 0.267 0.000 0.728 589 A CB 1.744 20.715 19.000 -0.050 0.000 1.317 589 A HN 0.397 nan 8.150 nan 0.000 0.414 590 V N 1.062 121.097 119.914 0.202 0.000 2.439 590 V HA 0.498 4.618 4.120 -0.000 0.000 0.282 590 V C -0.886 175.204 176.094 -0.006 0.000 1.039 590 V CA 0.054 62.484 62.300 0.215 0.000 0.913 590 V CB 0.649 32.652 31.823 0.299 0.000 0.983 590 V HN 0.660 nan 8.190 nan 0.000 0.460 591 F N 2.501 122.397 119.950 -0.089 0.000 2.541 591 F HA 0.811 5.337 4.527 -0.000 0.000 0.331 591 F C 0.507 176.224 175.800 -0.139 0.000 1.057 591 F CA -0.113 57.824 58.000 -0.105 0.000 0.975 591 F CB 2.187 41.134 39.000 -0.088 0.000 1.246 591 F HN 0.514 nan 8.300 nan 0.000 0.484 592 S N 0.449 116.147 115.700 -0.004 0.000 2.615 592 S HA 0.506 4.975 4.470 -0.000 0.000 0.268 592 S C -1.330 173.235 174.600 -0.059 0.000 1.146 592 S CA -0.989 57.177 58.200 -0.055 0.000 0.818 592 S CB 1.072 64.230 63.200 -0.071 0.000 1.111 592 S HN 0.581 nan 8.310 nan 0.000 0.465 593 R N 1.424 121.860 120.500 -0.106 0.000 2.539 593 R HA 0.336 4.676 4.340 -0.000 0.000 0.275 593 R C 1.092 177.353 176.300 -0.066 0.000 1.077 593 R CA -0.440 55.576 56.100 -0.140 0.000 1.097 593 R CB 0.399 30.509 30.300 -0.317 0.000 1.018 593 R HN 0.606 nan 8.270 nan 0.000 0.483 594 K N 1.487 121.869 120.400 -0.030 0.000 2.103 594 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 594 K C 1.433 178.050 176.600 0.028 0.000 1.048 594 K CA 1.828 58.120 56.287 0.008 0.000 0.930 594 K CB -0.081 32.439 32.500 0.033 0.000 0.716 594 K HN 0.719 nan 8.250 nan 0.000 0.444 595 D N 1.695 122.122 120.400 0.044 0.000 2.311 595 D HA -0.211 4.429 4.640 -0.000 0.000 0.212 595 D C 0.775 177.109 176.300 0.057 0.000 0.972 595 D CA 1.179 55.225 54.000 0.077 0.000 0.887 595 D CB 0.069 40.968 40.800 0.165 0.000 0.915 595 D HN 0.405 nan 8.370 nan 0.000 0.497 596 K N -1.647 118.778 120.400 0.042 0.000 2.932 596 K HA 0.556 4.876 4.320 -0.000 0.000 0.194 596 K C 0.981 177.634 176.600 0.088 0.000 1.132 596 K CA -0.055 56.280 56.287 0.080 0.000 1.071 596 K CB 0.499 33.035 32.500 0.060 0.000 0.727 596 K HN -0.039 nan 8.250 nan 0.000 0.441 597 A N 1.297 124.141 122.820 0.041 0.000 1.929 597 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 597 A C 1.188 178.781 177.584 0.014 0.000 1.176 597 A CA 1.852 53.890 52.037 0.003 0.000 0.628 597 A CB -0.364 18.620 19.000 -0.026 0.000 0.816 597 A HN 0.432 nan 8.150 nan 0.000 0.444 598 D N -1.339 119.092 120.400 0.051 0.000 2.149 598 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 598 D C 1.502 177.844 176.300 0.069 0.000 0.972 598 D CA 1.139 55.170 54.000 0.052 0.000 0.835 598 D CB -0.244 40.602 40.800 0.076 0.000 0.966 598 D HN 0.485 nan 8.370 nan 0.000 0.476 599 F N 0.652 120.602 119.950 -0.001 0.000 2.259 599 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 599 F C 1.894 177.697 175.800 0.005 0.000 1.088 599 F CA 0.730 58.736 58.000 0.010 0.000 1.358 599 F CB 0.042 39.051 39.000 0.015 0.000 1.040 599 F HN -0.196 nan 8.300 nan 0.000 0.505 600 V N 0.865 120.841 119.914 0.102 0.000 2.453 600 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 600 V C 2.556 178.592 176.094 -0.098 0.000 1.048 600 V CA 2.048 64.374 62.300 0.042 0.000 1.049 600 V CB -0.721 31.153 31.823 0.085 0.000 0.672 600 V HN 0.284 nan 8.190 nan 0.000 0.457 601 R N 0.276 120.680 120.500 -0.160 0.000 2.070 601 R HA -0.202 4.138 4.340 -0.000 0.000 0.232 601 R C 2.555 178.557 176.300 -0.498 0.000 1.138 601 R CA 2.069 57.951 56.100 -0.364 0.000 0.936 601 R CB -0.369 29.756 30.300 -0.293 0.000 0.839 601 R HN 0.340 nan 8.270 nan 0.000 0.429 602 R N 0.103 120.440 120.500 -0.273 0.000 2.113 602 R HA -0.166 4.174 4.340 -0.000 0.000 0.244 602 R C 2.157 178.367 176.300 -0.149 0.000 1.142 602 R CA 1.946 57.971 56.100 -0.124 0.000 0.953 602 R CB -0.232 29.984 30.300 -0.140 0.000 0.860 602 R HN 0.296 nan 8.270 nan 0.000 0.438 603 I N 0.740 121.122 120.570 -0.313 0.000 2.439 603 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 603 I C 2.155 178.255 176.117 -0.029 0.000 1.139 603 I CA 1.048 62.217 61.300 -0.218 0.000 1.438 603 I CB -0.752 37.051 38.000 -0.329 0.000 1.085 603 I HN 0.304 nan 8.210 nan 0.000 0.427 604 L N -0.866 120.326 121.223 -0.052 0.000 2.156 604 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 604 L C 2.490 179.430 176.870 0.117 0.000 1.095 604 L CA 0.824 55.696 54.840 0.053 0.000 0.770 604 L CB -0.451 41.621 42.059 0.021 0.000 0.914 604 L HN 0.049 nan 8.230 nan 0.000 0.439 605 F N 0.859 120.846 119.950 0.061 0.000 2.069 605 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 605 F C 2.303 178.137 175.800 0.056 0.000 1.113 605 F CA 1.579 59.608 58.000 0.049 0.000 1.214 605 F CB -1.177 37.833 39.000 0.017 0.000 0.978 605 F HN 0.218 nan 8.300 nan 0.000 0.474 606 N N -0.460 118.395 118.700 0.258 0.000 2.120 606 N HA -0.193 4.547 4.740 -0.000 0.000 0.188 606 N C 1.677 177.303 175.510 0.194 0.000 1.024 606 N CA 0.943 54.093 53.050 0.166 0.000 0.852 606 N CB -0.249 38.310 38.487 0.119 0.000 1.003 606 N HN 0.276 nan 8.380 nan 0.000 0.424 607 Q N 1.060 121.013 119.800 0.256 0.000 2.224 607 Q HA -0.163 4.177 4.340 -0.000 0.000 0.203 607 Q C 2.069 178.257 176.000 0.314 0.000 0.970 607 Q CA 1.142 57.189 55.803 0.406 0.000 0.865 607 Q CB -0.152 28.868 28.738 0.470 0.000 0.922 607 Q HN 0.714 nan 8.270 nan 0.000 0.445 608 Q N -0.412 119.508 119.800 0.200 0.000 2.331 608 Q HA -0.014 4.326 4.340 -0.000 0.000 0.203 608 Q C 1.340 177.425 176.000 0.141 0.000 0.944 608 Q CA 0.621 56.530 55.803 0.176 0.000 0.892 608 Q CB -0.012 28.925 28.738 0.332 0.000 0.983 608 Q HN 0.330 nan 8.270 nan 0.000 0.482 609 E N 1.166 121.428 120.200 0.104 0.000 2.072 609 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 609 E C 2.062 178.623 176.600 -0.065 0.000 0.985 609 E CA 1.163 57.577 56.400 0.023 0.000 0.801 609 E CB 0.046 29.758 29.700 0.020 0.000 0.750 609 E HN 0.386 nan 8.360 nan 0.000 0.452 610 L N -0.660 120.486 121.223 -0.128 0.000 2.131 610 L HA -0.028 4.311 4.340 -0.000 0.000 0.206 610 L C 1.167 177.624 176.870 -0.688 0.000 1.087 610 L CA 0.782 55.342 54.840 -0.466 0.000 0.767 610 L CB 0.030 41.679 42.059 -0.683 0.000 0.917 610 L HN 0.082 nan 8.230 nan 0.000 0.441 611 F N -0.619 119.303 119.950 -0.047 0.000 2.764 611 F HA 0.380 4.906 4.527 -0.000 0.000 0.310 611 F C 1.401 177.060 175.800 -0.236 0.000 1.124 611 F CA -0.544 57.360 58.000 -0.159 0.000 1.252 611 F CB -0.441 38.439 39.000 -0.200 0.000 1.010 611 F HN -0.146 nan 8.300 nan 0.000 0.518 612 G N 0.485 109.299 108.800 0.023 0.000 2.803 612 G HA2 0.115 4.075 3.960 -0.000 0.000 0.177 612 G HA3 0.115 4.075 3.960 -0.000 0.000 0.177 612 G C 1.297 176.253 174.900 0.094 0.000 1.629 612 G CA -0.143 45.061 45.100 0.173 0.000 1.077 612 G HN 0.034 nan 8.290 nan 0.000 0.556 613 R N 0.197 120.731 120.500 0.057 0.000 2.282 613 R HA 0.043 4.383 4.340 -0.000 0.000 0.195 613 R C 0.268 176.516 176.300 -0.086 0.000 0.909 613 R CA 0.032 56.116 56.100 -0.026 0.000 1.039 613 R CB -0.471 29.797 30.300 -0.053 0.000 1.015 613 R HN 0.641 nan 8.270 nan 0.000 0.513 614 N N 0.988 119.636 118.700 -0.088 0.000 2.410 614 N HA 0.269 5.008 4.740 -0.000 0.000 0.281 614 N C 0.143 175.550 175.510 -0.172 0.000 1.241 614 N CA 0.345 53.313 53.050 -0.137 0.000 0.998 614 N CB 0.669 39.095 38.487 -0.102 0.000 1.376 614 N HN 0.137 nan 8.380 nan 0.000 0.490 615 G N -0.421 108.216 108.800 -0.272 0.000 2.340 615 G HA2 0.362 4.322 3.960 -0.000 0.000 0.299 615 G HA3 0.362 4.322 3.960 -0.000 0.000 0.299 615 G C -0.843 173.777 174.900 -0.467 0.000 1.291 615 G CA -0.880 44.045 45.100 -0.291 0.000 0.841 615 G HN 0.254 nan 8.290 nan 0.000 0.500 616 F N 0.497 120.433 119.950 -0.023 0.000 2.515 616 F HA 0.367 4.894 4.527 -0.000 0.000 0.267 616 F C 1.455 177.258 175.800 0.005 0.000 0.923 616 F CA 0.788 58.782 58.000 -0.010 0.000 1.107 616 F CB 0.096 39.091 39.000 -0.008 0.000 1.175 616 F HN 0.641 nan 8.300 nan 0.000 0.742 617 E N -0.622 119.720 120.200 0.236 0.000 2.281 617 E HA 0.200 4.550 4.350 -0.000 0.000 0.257 617 E C -1.298 175.384 176.600 0.138 0.000 0.971 617 E CA -0.978 55.520 56.400 0.164 0.000 0.839 617 E CB 0.906 30.694 29.700 0.146 0.000 1.238 617 E HN 0.171 nan 8.360 nan 0.000 0.412 618 Y N 1.796 122.127 120.300 0.052 0.000 2.721 618 Y HA 0.090 4.640 4.550 -0.000 0.000 0.329 618 Y C -0.717 175.217 175.900 0.057 0.000 1.211 618 Y CA 0.747 58.875 58.100 0.047 0.000 1.512 618 Y CB 0.319 38.805 38.460 0.044 0.000 1.249 618 Y HN 0.365 nan 8.280 nan 0.000 0.549 619 M N 7.752 127.076 119.600 -0.461 0.000 2.346 619 M HA 0.202 4.682 4.480 -0.000 0.000 0.287 619 M C -0.207 175.902 176.300 -0.319 0.000 1.100 619 M CA -0.674 54.462 55.300 -0.274 0.000 0.950 619 M CB 1.453 34.001 32.600 -0.087 0.000 1.815 619 M HN 1.007 nan 8.290 nan 0.000 0.497 620 M N 0.621 120.114 119.600 -0.177 0.000 7.319 620 M HA -0.296 4.184 4.480 -0.000 0.000 0.294 620 M C -0.838 175.527 176.300 0.108 0.000 0.480 620 M CA 1.621 56.940 55.300 0.031 0.000 1.311 620 M CB -0.796 31.857 32.600 0.088 0.000 0.421 620 M HN 0.651 nan 8.290 nan 0.000 0.557 621 F N 0.677 120.706 119.950 0.133 0.000 2.601 621 F HA 0.596 5.122 4.527 -0.000 0.000 0.309 621 F C -1.384 174.485 175.800 0.116 0.000 1.089 621 F CA -0.696 57.360 58.000 0.094 0.000 0.940 621 F CB 1.710 40.741 39.000 0.051 0.000 1.273 621 F HN 0.278 nan 8.300 nan 0.000 0.450 622 Q N 5.915 125.084 119.800 -1.052 0.000 2.394 622 Q HA 0.311 4.651 4.340 -0.000 0.000 0.259 622 Q C 0.879 176.113 176.000 -1.276 0.000 1.021 622 Q CA -0.426 54.889 55.803 -0.814 0.000 0.805 622 Q CB 1.550 30.027 28.738 -0.435 0.000 1.226 622 Q HN 0.817 nan 8.270 nan 0.000 0.476 623 M N -0.653 118.302 119.600 -1.074 0.000 2.175 623 M HA -0.019 4.461 4.480 -0.000 0.000 0.264 623 M C 0.250 176.108 176.300 -0.737 0.000 1.063 623 M CA 1.842 56.458 55.300 -1.140 0.000 1.119 623 M CB -0.145 31.504 32.600 -1.585 0.000 1.377 623 M HN 0.397 nan 8.290 nan 0.000 0.415 624 F N 1.092 120.817 119.950 -0.375 0.000 2.416 624 F HA 0.186 4.713 4.527 -0.000 0.000 0.296 624 F C 1.041 176.755 175.800 -0.143 0.000 1.099 624 F CA 0.414 58.274 58.000 -0.233 0.000 1.427 624 F CB -0.436 38.413 39.000 -0.251 0.000 1.079 624 F HN 0.180 nan 8.300 nan 0.000 0.536 625 E N 1.011 121.177 120.200 -0.056 0.000 1.861 625 E HA 0.161 4.511 4.350 -0.000 0.000 0.263 625 E C -0.341 176.210 176.600 -0.082 0.000 1.137 625 E CA -0.100 56.269 56.400 -0.051 0.000 0.944 625 E CB -0.076 29.578 29.700 -0.076 0.000 1.092 625 E HN -0.050 nan 8.360 nan 0.000 0.420 626 S N 2.331 118.032 115.700 0.002 0.000 2.546 626 S HA -0.043 4.427 4.470 -0.000 0.000 0.290 626 S C 1.260 175.888 174.600 0.046 0.000 1.262 626 S CA -0.058 58.162 58.200 0.033 0.000 1.083 626 S CB 0.907 64.154 63.200 0.078 0.000 0.859 626 S HN 0.572 nan 8.310 nan 0.000 0.495 627 S N 2.517 118.262 115.700 0.075 0.000 2.407 627 S HA -0.183 4.287 4.470 -0.000 0.000 0.235 627 S C 1.288 175.936 174.600 0.079 0.000 1.036 627 S CA 1.303 59.561 58.200 0.097 0.000 1.013 627 S CB -0.191 63.097 63.200 0.147 0.000 0.820 627 S HN 0.853 nan 8.310 nan 0.000 0.476 628 A N 0.589 123.458 122.820 0.082 0.000 2.677 628 A HA 0.632 4.952 4.320 -0.000 0.000 0.197 628 A C -0.784 176.852 177.584 0.086 0.000 1.471 628 A CA -0.432 51.654 52.037 0.083 0.000 1.527 628 A CB 0.624 19.680 19.000 0.094 0.000 1.695 628 A HN 0.069 nan 8.150 nan 0.000 0.557 629 K N 2.233 122.694 120.400 0.102 0.000 2.559 629 K HA 0.403 4.723 4.320 -0.000 0.000 0.249 629 K C -1.782 174.880 176.600 0.104 0.000 0.958 629 K CA -0.443 55.907 56.287 0.104 0.000 0.901 629 K CB 0.974 33.553 32.500 0.132 0.000 1.124 629 K HN 0.521 nan 8.250 nan 0.000 0.437 630 D N 2.215 122.672 120.400 0.095 0.000 3.133 630 D HA -0.193 4.447 4.640 -0.000 0.000 0.239 630 D C -0.804 175.561 176.300 0.108 0.000 1.136 630 D CA 0.828 54.890 54.000 0.103 0.000 0.898 630 D CB -0.712 40.142 40.800 0.090 0.000 0.959 630 D HN 0.389 nan 8.370 nan 0.000 0.415 631 L N 1.801 123.085 121.223 0.100 0.000 2.342 631 L HA 0.427 4.767 4.340 -0.000 0.000 0.276 631 L C 1.740 178.622 176.870 0.020 0.000 0.997 631 L CA -0.797 54.089 54.840 0.076 0.000 0.838 631 L CB 1.372 43.482 42.059 0.084 0.000 1.224 631 L HN 0.290 nan 8.230 nan 0.000 0.416 632 L N 1.089 122.292 121.223 -0.033 0.000 3.737 632 L HA -0.341 3.999 4.340 -0.000 0.000 0.370 632 L C -0.336 176.210 176.870 -0.541 0.000 0.709 632 L CA 1.602 56.286 54.840 -0.260 0.000 2.983 632 L CB -1.104 40.675 42.059 -0.467 0.000 0.704 632 L HN 0.412 nan 8.230 nan 0.000 0.728 633 F N -1.447 118.592 119.950 0.148 0.000 2.726 633 F HA 0.556 5.082 4.527 -0.000 0.000 0.324 633 F C 0.738 176.633 175.800 0.158 0.000 1.140 633 F CA -0.619 57.493 58.000 0.186 0.000 0.964 633 F CB 1.225 40.353 39.000 0.213 0.000 1.399 633 F HN -0.303 nan 8.300 nan 0.000 0.491 634 S N 0.573 116.521 115.700 0.413 0.000 2.593 634 S HA 0.073 4.543 4.470 -0.000 0.000 0.269 634 S C 0.345 175.062 174.600 0.196 0.000 1.334 634 S CA -0.441 57.909 58.200 0.249 0.000 1.015 634 S CB 0.619 63.981 63.200 0.271 0.000 0.912 634 S HN 0.515 nan 8.310 nan 0.000 0.541 635 D N 1.309 121.767 120.400 0.096 0.000 2.183 635 D HA -0.093 4.546 4.640 -0.000 0.000 0.203 635 D C 1.414 177.744 176.300 0.050 0.000 0.969 635 D CA 0.999 55.040 54.000 0.068 0.000 0.842 635 D CB -0.131 40.689 40.800 0.034 0.000 0.957 635 D HN 0.683 nan 8.370 nan 0.000 0.484 636 D N -0.193 120.217 120.400 0.017 0.000 2.360 636 D HA -0.045 4.595 4.640 -0.000 0.000 0.210 636 D C 0.301 176.680 176.300 0.133 0.000 1.047 636 D CA 0.098 54.104 54.000 0.009 0.000 0.854 636 D CB -0.468 40.264 40.800 -0.113 0.000 0.936 636 D HN -0.126 nan 8.370 nan 0.000 0.514 637 T N 1.347 116.057 114.554 0.260 0.000 2.908 637 T HA -0.016 4.334 4.350 -0.000 0.000 0.325 637 T C 1.002 175.624 174.700 -0.131 0.000 1.092 637 T CA 0.274 62.478 62.100 0.172 0.000 1.125 637 T CB 1.486 70.385 68.868 0.053 0.000 1.016 637 T HN 0.076 nan 8.240 nan 0.000 0.550 638 E N -0.270 119.727 120.200 -0.338 0.000 2.288 638 E HA 0.192 4.541 4.350 -0.000 0.000 0.200 638 E C 0.804 176.938 176.600 -0.776 0.000 0.880 638 E CA 0.351 56.519 56.400 -0.387 0.000 0.971 638 E CB 0.386 29.956 29.700 -0.217 0.000 0.954 638 E HN 0.755 nan 8.360 nan 0.000 0.489 639 c N -0.217 117.848 118.600 -0.892 0.000 3.311 639 c HA 0.648 5.218 4.570 -0.000 0.000 0.325 639 c C -1.287 172.387 174.090 -0.694 0.000 1.352 639 c CA -1.094 54.666 56.329 -0.949 0.000 1.308 639 c CB 0.179 42.475 42.510 -0.356 0.000 1.619 639 c HN 0.177 nan 8.230 nan 0.000 0.469 640 L N 3.234 124.260 121.223 -0.327 0.000 2.275 640 L HA 0.538 4.878 4.340 -0.000 0.000 0.288 640 L C 0.546 177.416 176.870 0.000 0.000 1.046 640 L CA 0.241 55.018 54.840 -0.105 0.000 0.805 640 L CB 1.627 43.730 42.059 0.074 0.000 1.193 640 L HN 0.831 nan 8.230 nan 0.000 0.426 641 S N 1.689 117.383 115.700 -0.010 0.000 2.690 641 S HA 0.390 4.860 4.470 -0.000 0.000 0.291 641 S C -0.091 174.563 174.600 0.090 0.000 1.138 641 S CA -0.829 57.395 58.200 0.040 0.000 1.013 641 S CB 1.325 64.521 63.200 -0.007 0.000 1.053 641 S HN 0.534 nan 8.310 nan 0.000 0.539 642 N N 0.769 119.539 118.700 0.117 0.000 2.297 642 N HA 0.157 4.897 4.740 -0.000 0.000 0.232 642 N C 0.977 176.536 175.510 0.083 0.000 1.311 642 N CA 0.024 53.151 53.050 0.128 0.000 0.897 642 N CB 0.111 38.670 38.487 0.120 0.000 1.137 642 N HN 0.450 nan 8.380 nan 0.000 0.449 643 L N -0.142 121.121 121.223 0.067 0.000 2.298 643 L HA 0.012 4.352 4.340 -0.000 0.000 0.209 643 L C 0.864 177.781 176.870 0.079 0.000 1.084 643 L CA 0.245 55.125 54.840 0.066 0.000 0.816 643 L CB -0.148 41.918 42.059 0.011 0.000 0.967 643 L HN 0.439 nan 8.230 nan 0.000 0.460 644 Q N -0.007 119.830 119.800 0.063 0.000 1.446 644 Q HA -0.300 4.039 4.340 -0.000 0.000 0.323 644 Q C 0.894 176.923 176.000 0.048 0.000 0.917 644 Q CA 1.891 57.725 55.803 0.052 0.000 0.829 644 Q CB -1.374 27.392 28.738 0.047 0.000 3.620 644 Q HN 0.261 nan 8.270 nan 0.000 0.570 645 D N 1.470 121.897 120.400 0.045 0.000 2.144 645 D HA -0.051 4.589 4.640 -0.000 0.000 0.200 645 D C 0.297 176.629 176.300 0.054 0.000 0.978 645 D CA 0.960 54.985 54.000 0.041 0.000 0.833 645 D CB -0.067 40.752 40.800 0.032 0.000 0.961 645 D HN 0.153 nan 8.370 nan 0.000 0.470 646 K N 1.834 122.283 120.400 0.081 0.000 2.062 646 K HA 0.025 4.344 4.320 -0.000 0.000 0.251 646 K C 1.087 177.749 176.600 0.103 0.000 1.113 646 K CA 0.227 56.592 56.287 0.129 0.000 1.096 646 K CB -0.632 32.014 32.500 0.244 0.000 1.099 646 K HN 0.268 nan 8.250 nan 0.000 0.350 647 T N -2.114 112.478 114.554 0.064 0.000 2.983 647 T HA -0.005 4.345 4.350 -0.000 0.000 0.250 647 T C 0.964 175.681 174.700 0.028 0.000 1.037 647 T CA 0.317 62.432 62.100 0.026 0.000 1.142 647 T CB 0.089 68.971 68.868 0.023 0.000 0.876 647 T HN 0.263 nan 8.240 nan 0.000 0.455 648 T N 1.599 116.190 114.554 0.063 0.000 2.881 648 T HA 0.376 4.726 4.350 -0.000 0.000 0.278 648 T C 0.679 175.483 174.700 0.173 0.000 0.982 648 T CA -0.430 61.725 62.100 0.092 0.000 0.989 648 T CB 0.939 69.819 68.868 0.020 0.000 1.058 648 T HN 0.457 nan 8.240 nan 0.000 0.529 649 Y N 0.294 120.703 120.300 0.182 0.000 2.457 649 Y HA 0.215 4.765 4.550 -0.000 0.000 0.292 649 Y C 1.869 177.924 175.900 0.258 0.000 1.125 649 Y CA 0.761 59.051 58.100 0.316 0.000 1.254 649 Y CB -0.365 38.286 38.460 0.319 0.000 1.012 649 Y HN 0.420 nan 8.280 nan 0.000 0.555 650 K N 0.410 120.441 120.400 -0.615 0.000 2.103 650 K HA -0.053 4.266 4.320 -0.000 0.000 0.204 650 K C 1.996 178.524 176.600 -0.120 0.000 1.052 650 K CA 1.757 57.750 56.287 -0.489 0.000 0.945 650 K CB -0.191 32.011 32.500 -0.497 0.000 0.722 650 K HN 0.570 nan 8.250 nan 0.000 0.443 651 T N -2.149 112.384 114.554 -0.034 0.000 3.051 651 T HA -0.069 4.281 4.350 -0.000 0.000 0.255 651 T C 1.797 176.545 174.700 0.080 0.000 1.085 651 T CA 0.148 62.264 62.100 0.025 0.000 1.109 651 T CB -0.310 68.578 68.868 0.032 0.000 0.921 651 T HN 0.164 nan 8.240 nan 0.000 0.488 652 Y N 2.079 122.406 120.300 0.044 0.000 2.220 652 Y HA 0.278 4.828 4.550 -0.000 0.000 0.291 652 Y C 1.828 177.789 175.900 0.103 0.000 1.129 652 Y CA 0.798 58.947 58.100 0.081 0.000 1.161 652 Y CB -0.349 38.189 38.460 0.130 0.000 0.997 652 Y HN 0.150 nan 8.280 nan 0.000 0.522 653 L N -0.119 121.117 121.223 0.022 0.000 2.418 653 L HA 0.208 4.548 4.340 -0.000 0.000 0.218 653 L C 1.160 178.042 176.870 0.020 0.000 1.125 653 L CA 0.386 55.232 54.840 0.011 0.000 0.835 653 L CB -0.998 41.264 42.059 0.338 0.000 0.953 653 L HN 0.410 nan 8.230 nan 0.000 0.454 654 G N 0.230 109.036 108.800 0.010 0.000 2.787 654 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.685 654 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.685 654 G C -2.303 172.621 174.900 0.039 0.000 1.437 654 G CA -0.482 44.623 45.100 0.009 0.000 0.872 654 G HN 0.021 nan 8.290 nan 0.000 0.566 655 P HA -0.026 nan 4.420 nan 0.000 0.225 655 P C 1.674 178.986 177.300 0.019 0.000 1.156 655 P CA 1.433 64.544 63.100 0.018 0.000 0.787 655 P CB 0.122 31.827 31.700 0.009 0.000 0.802 656 Q N -1.101 118.716 119.800 0.029 0.000 2.002 656 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 656 Q C 1.997 178.032 176.000 0.058 0.000 0.988 656 Q CA 1.655 57.479 55.803 0.035 0.000 0.843 656 Q CB -0.549 28.209 28.738 0.033 0.000 0.908 656 Q HN 0.202 nan 8.270 nan 0.000 0.420 657 Y N -0.170 120.095 120.300 -0.059 0.000 2.347 657 Y HA -0.075 4.475 4.550 -0.000 0.000 0.294 657 Y C 1.814 177.674 175.900 -0.067 0.000 1.117 657 Y CA 0.540 58.595 58.100 -0.076 0.000 1.184 657 Y CB -0.133 38.273 38.460 -0.091 0.000 1.047 657 Y HN 0.197 nan 8.280 nan 0.000 0.546 658 L N 0.183 121.397 121.223 -0.016 0.000 1.971 658 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 658 L C 2.325 179.112 176.870 -0.140 0.000 1.072 658 L CA 2.789 57.596 54.840 -0.055 0.000 0.758 658 L CB -1.241 40.857 42.059 0.065 0.000 0.889 658 L HN 0.283 nan 8.230 nan 0.000 0.433 659 T N -0.502 114.004 114.554 -0.080 0.000 2.699 659 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 659 T C 1.816 176.439 174.700 -0.129 0.000 1.036 659 T CA 1.731 63.790 62.100 -0.067 0.000 1.147 659 T CB -0.517 68.330 68.868 -0.035 0.000 0.862 659 T HN 0.252 nan 8.240 nan 0.000 0.446 660 L N -0.050 121.046 121.223 -0.212 0.000 2.191 660 L HA 0.077 4.417 4.340 -0.000 0.000 0.212 660 L C 2.283 178.947 176.870 -0.342 0.000 1.103 660 L CA 1.455 56.141 54.840 -0.257 0.000 0.769 660 L CB -0.422 41.460 42.059 -0.295 0.000 0.908 660 L HN 0.171 nan 8.230 nan 0.000 0.438 661 M N -1.009 118.287 119.600 -0.506 0.000 2.236 661 M HA -0.088 4.392 4.480 -0.000 0.000 0.266 661 M C 1.554 177.694 176.300 -0.267 0.000 1.070 661 M CA 1.477 56.450 55.300 -0.546 0.000 1.137 661 M CB -0.294 31.708 32.600 -0.997 0.000 1.378 661 M HN 0.185 nan 8.290 nan 0.000 0.426 662 D N -0.417 119.884 120.400 -0.165 0.000 2.312 662 D HA -0.086 4.554 4.640 -0.000 0.000 0.211 662 D C 1.178 177.493 176.300 0.024 0.000 0.964 662 D CA 0.880 54.876 54.000 -0.006 0.000 0.877 662 D CB -0.577 40.254 40.800 0.051 0.000 0.924 662 D HN 0.590 nan 8.370 nan 0.000 0.515 663 N N -0.378 118.331 118.700 0.015 0.000 2.459 663 N HA -0.035 4.705 4.740 -0.000 0.000 0.181 663 N C 1.310 176.926 175.510 0.178 0.000 1.046 663 N CA 0.079 53.181 53.050 0.086 0.000 0.904 663 N CB 0.067 38.591 38.487 0.061 0.000 0.964 663 N HN 0.134 nan 8.380 nan 0.000 0.444 664 F N 1.398 121.293 119.950 -0.092 0.000 2.619 664 F HA 0.116 4.643 4.527 -0.000 0.000 0.293 664 F C 1.891 177.604 175.800 -0.144 0.000 1.119 664 F CA -0.388 57.531 58.000 -0.135 0.000 1.445 664 F CB 0.298 39.216 39.000 -0.138 0.000 1.119 664 F HN -0.164 nan 8.300 nan 0.000 0.573 665 R N 1.006 121.491 120.500 -0.025 0.000 2.316 665 R HA -0.364 3.976 4.340 -0.000 0.000 0.218 665 R C 1.805 177.982 176.300 -0.205 0.000 1.089 665 R CA 2.740 58.790 56.100 -0.083 0.000 0.737 665 R CB -1.434 28.849 30.300 -0.027 0.000 0.950 665 R HN 0.377 nan 8.270 nan 0.000 0.354 666 Q N -0.370 119.292 119.800 -0.230 0.000 2.014 666 Q HA -0.148 4.192 4.340 -0.000 0.000 0.207 666 Q C 2.485 178.249 176.000 -0.393 0.000 0.993 666 Q CA 2.184 57.830 55.803 -0.262 0.000 0.850 666 Q CB -0.958 27.634 28.738 -0.244 0.000 0.916 666 Q HN 0.492 nan 8.270 nan 0.000 0.417 667 c N 0.225 118.426 118.600 -0.664 0.000 2.409 667 c HA -0.035 4.535 4.570 -0.000 0.000 0.284 667 c C 1.281 174.895 174.090 -0.793 0.000 1.354 667 c CA -0.340 55.528 56.329 -0.768 0.000 1.787 667 c CB -1.062 40.826 42.510 -1.037 0.000 1.900 667 c HN 0.397 nan 8.230 nan 0.000 0.520 668 L N 2.021 122.747 121.223 -0.829 0.000 2.312 668 L HA 0.169 4.509 4.340 -0.000 0.000 0.287 668 L C -0.069 176.688 176.870 -0.189 0.000 1.091 668 L CA 0.199 54.788 54.840 -0.420 0.000 0.846 668 L CB 0.383 42.331 42.059 -0.184 0.000 1.219 668 L HN 0.066 nan 8.230 nan 0.000 0.439 669 S N 2.566 118.194 115.700 -0.121 0.000 3.315 669 S HA 0.114 4.584 4.470 -0.000 0.000 0.195 669 S C 0.107 174.682 174.600 -0.042 0.000 1.394 669 S CA -0.239 57.916 58.200 -0.075 0.000 0.983 669 S CB 0.430 63.592 63.200 -0.062 0.000 1.370 669 S HN 0.652 nan 8.310 nan 0.000 0.491 670 S N 1.665 117.352 115.700 -0.020 0.000 2.465 670 S HA 0.207 4.677 4.470 -0.000 0.000 0.279 670 S C 1.016 175.618 174.600 0.004 0.000 1.201 670 S CA -0.609 57.598 58.200 0.012 0.000 1.053 670 S CB 0.538 63.764 63.200 0.043 0.000 0.953 670 S HN 0.627 nan 8.310 nan 0.000 0.488 671 E N 3.446 123.647 120.200 0.003 0.000 2.371 671 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 671 E C 1.362 177.960 176.600 -0.004 0.000 1.012 671 E CA 0.327 56.723 56.400 -0.007 0.000 0.860 671 E CB 0.031 29.721 29.700 -0.016 0.000 0.811 671 E HN 0.635 nan 8.360 nan 0.000 0.502 672 L N 0.725 121.952 121.223 0.008 0.000 2.102 672 L HA -0.036 4.304 4.340 -0.000 0.000 0.202 672 L C 2.103 178.980 176.870 0.012 0.000 1.076 672 L CA 0.892 55.736 54.840 0.006 0.000 0.761 672 L CB -0.265 41.803 42.059 0.015 0.000 0.921 672 L HN 0.090 nan 8.230 nan 0.000 0.444 673 L N -0.047 121.185 121.223 0.016 0.000 2.129 673 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 673 L C 1.729 178.592 176.870 -0.011 0.000 1.087 673 L CA 1.923 56.761 54.840 -0.004 0.000 0.757 673 L CB -0.897 41.160 42.059 -0.003 0.000 0.896 673 L HN 0.346 nan 8.230 nan 0.000 0.434 674 D N -0.426 119.978 120.400 0.007 0.000 2.149 674 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 674 D C 2.221 178.572 176.300 0.084 0.000 0.972 674 D CA 1.361 55.382 54.000 0.034 0.000 0.835 674 D CB -0.208 40.612 40.800 0.034 0.000 0.966 674 D HN 0.494 nan 8.370 nan 0.000 0.476 675 A N 0.122 122.971 122.820 0.048 0.000 1.872 675 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 675 A C 2.324 179.968 177.584 0.101 0.000 1.187 675 A CA 1.050 53.115 52.037 0.048 0.000 0.614 675 A CB -0.887 18.110 19.000 -0.005 0.000 0.826 675 A HN 0.358 nan 8.150 nan 0.000 0.442 676 c N -0.227 118.415 118.600 0.070 0.000 2.419 676 c HA 0.000 4.570 4.570 -0.000 0.000 0.283 676 c C 2.291 176.445 174.090 0.105 0.000 1.373 676 c CA 1.497 57.875 56.329 0.083 0.000 1.781 676 c CB -1.295 41.240 42.510 0.042 0.000 1.886 676 c HN 0.758 nan 8.230 nan 0.000 0.520 677 T N -3.664 110.938 114.554 0.079 0.000 3.252 677 T HA 0.181 4.531 4.350 -0.000 0.000 0.286 677 T C 0.856 175.592 174.700 0.061 0.000 1.013 677 T CA -0.261 61.861 62.100 0.038 0.000 0.914 677 T CB -0.472 68.349 68.868 -0.078 0.000 1.131 677 T HN 0.333 nan 8.240 nan 0.000 0.529 678 F N 2.801 122.744 119.950 -0.011 0.000 2.031 678 F HA 0.065 4.592 4.527 -0.000 0.000 0.295 678 F C 1.290 177.083 175.800 -0.012 0.000 1.133 678 F CA 0.891 58.859 58.000 -0.053 0.000 1.188 678 F CB -0.406 38.520 39.000 -0.123 0.000 0.974 678 F HN 0.258 nan 8.300 nan 0.000 0.473 679 H N 2.560 121.735 119.070 0.176 0.000 3.253 679 H HA 0.068 4.624 4.556 -0.000 0.000 0.250 679 H C -0.313 175.048 175.328 0.055 0.000 1.051 679 H CA 0.263 56.411 56.048 0.166 0.000 1.458 679 H CB -0.100 29.884 29.762 0.370 0.000 1.549 679 H HN 0.034 nan 8.280 nan 0.000 0.506 680 K N 4.427 124.862 120.400 0.059 0.000 2.262 680 K HA 0.232 4.552 4.320 -0.000 0.000 0.282 680 K C -0.558 176.112 176.600 0.117 0.000 1.066 680 K CA -0.259 55.986 56.287 -0.070 0.000 0.901 680 K CB 0.426 32.870 32.500 -0.094 0.000 1.089 680 K HN 0.479 nan 8.250 nan 0.000 0.476 681 Y N 0.000 120.324 120.300 0.040 0.000 2.660 681 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 681 Y CA 0.000 58.096 58.100 -0.007 0.000 1.940 681 Y CB 0.000 38.247 38.460 -0.355 0.000 1.050 681 Y HN 0.000 nan 8.280 nan 0.000 0.758