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 1gg9_1_A DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VNARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.282 176.300 -0.030 0.000 2.045 27 D CA 0.000 53.986 54.000 -0.024 0.000 0.868 27 D CB 0.000 40.787 40.800 -0.022 0.000 0.688 28 S N 1.679 117.361 115.700 -0.030 0.000 3.649 28 S HA 0.091 4.610 4.470 0.082 0.000 0.266 28 S C 0.400 174.971 174.600 -0.048 0.000 0.483 28 S CA 0.679 58.858 58.200 -0.035 0.000 1.677 28 S CB -1.930 61.253 63.200 -0.029 0.000 1.239 28 S HN 0.450 nan 8.310 nan 0.000 0.425 29 L N -0.347 120.839 121.223 -0.061 0.000 2.304 29 L HA 1.005 5.394 4.340 0.082 0.000 0.268 29 L C 0.483 177.268 176.870 -0.141 0.000 1.010 29 L CA -1.263 53.521 54.840 -0.094 0.000 0.813 29 L CB 0.043 42.054 42.059 -0.080 0.000 1.315 29 L HN 0.413 nan 8.230 nan 0.000 0.445 30 A N 0.666 123.332 122.820 -0.256 0.000 2.492 30 A HA 0.486 4.856 4.320 0.082 0.000 0.236 30 A C -1.997 175.439 177.584 -0.248 0.000 1.078 30 A CA -0.525 51.233 52.037 -0.464 0.000 0.773 30 A CB -1.226 17.118 19.000 -1.094 0.000 1.023 30 A HN 0.751 nan 8.150 nan 0.000 0.504 31 P HA 0.078 nan 4.420 nan 0.000 0.269 31 P C 0.312 177.600 177.300 -0.021 0.000 1.215 31 P CA 0.006 63.081 63.100 -0.041 0.000 0.780 31 P CB 0.682 32.397 31.700 0.024 0.000 0.898 32 E N 1.561 121.757 120.200 -0.006 0.000 2.118 32 E HA -0.237 4.162 4.350 0.082 0.000 0.195 32 E C 1.243 177.863 176.600 0.033 0.000 0.992 32 E CA 1.966 58.370 56.400 0.006 0.000 0.804 32 E CB -0.475 29.227 29.700 0.002 0.000 0.741 32 E HN 0.523 nan 8.360 nan 0.000 0.458 33 D N -1.193 119.232 120.400 0.043 0.000 2.348 33 D HA -0.016 4.673 4.640 0.082 0.000 0.216 33 D C 1.277 177.626 176.300 0.081 0.000 0.970 33 D CA 0.969 54.999 54.000 0.050 0.000 0.889 33 D CB -0.439 40.384 40.800 0.038 0.000 0.912 33 D HN 0.299 nan 8.370 nan 0.000 0.524 34 G N 0.119 109.012 108.800 0.155 0.000 2.147 34 G HA2 -0.312 3.697 3.960 0.082 0.000 0.244 34 G HA3 -0.312 3.697 3.960 0.082 0.000 0.244 34 G C 0.864 175.839 174.900 0.124 0.000 1.005 34 G CA 0.763 46.001 45.100 0.229 0.000 0.713 34 G HN 0.695 nan 8.290 nan 0.000 0.515 35 S N -0.467 115.321 115.700 0.148 0.000 2.603 35 S HA 0.105 4.625 4.470 0.082 0.000 0.220 35 S C 1.618 176.259 174.600 0.069 0.000 0.967 35 S CA 1.031 59.270 58.200 0.065 0.000 0.920 35 S CB -0.510 62.723 63.200 0.055 0.000 0.773 35 S HN 1.047 nan 8.310 nan 0.000 0.529 36 H N 0.546 119.622 119.070 0.010 0.000 2.502 36 H HA 0.311 4.917 4.556 0.082 0.000 0.283 36 H C 1.050 176.389 175.328 0.018 0.000 1.015 36 H CA 0.170 56.225 56.048 0.012 0.000 1.298 36 H CB -0.019 29.748 29.762 0.010 0.000 1.411 36 H HN 0.323 nan 8.280 nan 0.000 0.556 37 R N 1.824 121.997 120.500 -0.546 0.000 2.387 37 R HA 0.333 4.722 4.340 0.082 0.000 0.314 37 R C -2.817 173.387 176.300 -0.160 0.000 0.958 37 R CA -2.438 53.442 56.100 -0.368 0.000 0.846 37 R CB 0.967 30.974 30.300 -0.489 0.000 1.147 37 R HN 0.100 nan 8.270 nan 0.000 0.447 38 P HA 0.075 nan 4.420 nan 0.000 0.268 38 P C -0.947 176.342 177.300 -0.018 0.000 1.204 38 P CA -0.165 62.922 63.100 -0.021 0.000 0.768 38 P CB 1.121 32.834 31.700 0.021 0.000 0.842 39 A N 3.278 126.093 122.820 -0.009 0.000 2.531 39 A HA 0.368 4.738 4.320 0.082 0.000 0.236 39 A C 0.870 178.462 177.584 0.014 0.000 1.062 39 A CA 0.183 52.219 52.037 -0.002 0.000 0.760 39 A CB -0.326 18.676 19.000 0.003 0.000 0.995 39 A HN 0.571 nan 8.150 nan 0.000 0.501 40 A N 2.794 125.623 122.820 0.014 0.000 3.168 40 A HA 0.531 4.901 4.320 0.082 0.000 0.260 40 A C 0.143 177.744 177.584 0.028 0.000 1.598 40 A CA -0.132 51.920 52.037 0.025 0.000 1.285 40 A CB -0.388 18.624 19.000 0.020 0.000 1.149 40 A HN 0.728 nan 8.150 nan 0.000 0.630 41 E N 0.207 120.426 120.200 0.032 0.000 2.412 41 E HA 0.388 4.787 4.350 0.082 0.000 0.279 41 E C -3.154 173.469 176.600 0.037 0.000 0.984 41 E CA -2.019 54.401 56.400 0.034 0.000 0.788 41 E CB 1.637 31.352 29.700 0.025 0.000 1.277 41 E HN 0.043 nan 8.360 nan 0.000 0.455 42 P HA 0.110 nan 4.420 nan 0.000 0.267 42 P C -0.622 176.688 177.300 0.016 0.000 1.209 42 P CA 0.171 63.288 63.100 0.028 0.000 0.763 42 P CB 0.268 31.975 31.700 0.012 0.000 0.816 43 T N 0.961 115.520 114.554 0.009 0.000 2.909 43 T HA 0.628 5.028 4.350 0.082 0.000 0.299 43 T C -2.968 171.704 174.700 -0.047 0.000 1.073 43 T CA -2.738 59.360 62.100 -0.002 0.000 0.999 43 T CB 1.599 70.470 68.868 0.005 0.000 1.098 43 T HN 0.044 nan 8.240 nan 0.000 0.477 44 P HA 0.329 nan 4.420 nan 0.000 0.272 44 P C -2.736 174.430 177.300 -0.224 0.000 1.230 44 P CA -1.497 61.451 63.100 -0.254 0.000 0.788 44 P CB -0.995 30.636 31.700 -0.115 0.000 0.949 45 P HA 0.040 nan 4.420 nan 0.000 0.264 45 P C 1.115 178.369 177.300 -0.076 0.000 1.183 45 P CA 1.348 64.354 63.100 -0.157 0.000 0.763 45 P CB -0.208 31.395 31.700 -0.163 0.000 0.807 46 G N 2.599 111.383 108.800 -0.028 0.000 2.234 46 G HA2 -0.357 3.652 3.960 0.082 0.000 0.260 46 G HA3 -0.357 3.652 3.960 0.082 0.000 0.260 46 G C 1.143 176.040 174.900 -0.005 0.000 0.987 46 G CA 0.461 45.556 45.100 -0.008 0.000 0.625 46 G HN 0.689 nan 8.290 nan 0.000 0.532 47 A N -1.255 121.557 122.820 -0.012 0.000 2.016 47 A HA 0.439 4.808 4.320 0.082 0.000 0.217 47 A C 1.311 178.897 177.584 0.003 0.000 1.162 47 A CA 1.946 53.981 52.037 -0.004 0.000 0.662 47 A CB 0.037 19.032 19.000 -0.007 0.000 0.812 47 A HN 0.482 nan 8.150 nan 0.000 0.450 48 Q N -1.066 118.740 119.800 0.009 0.000 2.416 48 Q HA 0.421 4.811 4.340 0.082 0.000 0.281 48 Q C -2.999 173.015 176.000 0.024 0.000 1.067 48 Q CA -2.072 53.740 55.803 0.015 0.000 0.809 48 Q CB 1.240 29.990 28.738 0.019 0.000 1.418 48 Q HN 0.041 nan 8.270 nan 0.000 0.411 49 P HA 0.032 nan 4.420 nan 0.000 0.268 49 P C -0.196 177.134 177.300 0.050 0.000 1.205 49 P CA 0.128 63.241 63.100 0.022 0.000 0.771 49 P CB 0.274 31.983 31.700 0.016 0.000 0.858 50 T N -0.201 114.384 114.554 0.051 0.000 2.813 50 T HA 0.600 4.999 4.350 0.082 0.000 0.297 50 T C 0.022 174.813 174.700 0.152 0.000 1.036 50 T CA -0.465 61.717 62.100 0.137 0.000 1.044 50 T CB 0.668 69.565 68.868 0.048 0.000 0.993 50 T HN 0.561 nan 8.240 nan 0.000 0.535 51 A N 1.414 124.427 122.820 0.321 0.000 2.602 51 A HA 0.772 5.141 4.320 0.082 0.000 0.290 51 A C -3.071 174.778 177.584 0.442 0.000 1.114 51 A CA -1.963 50.234 52.037 0.268 0.000 0.683 51 A CB 0.532 19.637 19.000 0.175 0.000 1.281 51 A HN 0.661 nan 8.150 nan 0.000 0.416 52 P HA 0.151 nan 4.420 nan 0.000 0.265 52 P C 1.197 178.647 177.300 0.251 0.000 1.187 52 P CA 0.865 64.181 63.100 0.360 0.000 0.766 52 P CB 0.561 32.395 31.700 0.224 0.000 0.820 53 G N 1.999 110.905 108.800 0.176 0.000 2.440 53 G HA2 -0.288 3.721 3.960 0.082 0.000 0.218 53 G HA3 -0.288 3.721 3.960 0.082 0.000 0.218 53 G C 1.575 176.489 174.900 0.023 0.000 1.154 53 G CA 1.108 46.224 45.100 0.028 0.000 0.767 53 G HN 0.594 nan 8.290 nan 0.000 0.552 54 S N 0.138 115.856 115.700 0.030 0.000 2.447 54 S HA 0.087 4.606 4.470 0.082 0.000 0.233 54 S C 2.219 176.836 174.600 0.028 0.000 1.006 54 S CA 0.989 59.194 58.200 0.009 0.000 0.957 54 S CB -0.207 62.994 63.200 0.002 0.000 0.773 54 S HN 0.320 nan 8.310 nan 0.000 0.507 55 L N -0.195 121.061 121.223 0.056 0.000 2.298 55 L HA 0.280 4.669 4.340 0.082 0.000 0.209 55 L C 2.638 179.541 176.870 0.054 0.000 1.084 55 L CA 0.714 55.587 54.840 0.055 0.000 0.816 55 L CB -0.301 41.799 42.059 0.068 0.000 0.967 55 L HN 0.237 nan 8.230 nan 0.000 0.460 56 K N 1.520 121.961 120.400 0.069 0.000 2.103 56 K HA 0.045 4.415 4.320 0.082 0.000 0.204 56 K C 0.688 177.316 176.600 0.047 0.000 1.052 56 K CA 1.236 57.564 56.287 0.068 0.000 0.945 56 K CB 0.147 32.702 32.500 0.093 0.000 0.722 56 K HN 0.141 nan 8.250 nan 0.000 0.443 57 A N 0.814 123.654 122.820 0.033 0.000 3.216 57 A HA 0.352 4.722 4.320 0.082 0.000 0.321 57 A C -2.222 175.365 177.584 0.006 0.000 1.042 57 A CA -1.028 51.025 52.037 0.027 0.000 0.838 57 A CB 0.685 19.704 19.000 0.031 0.000 1.136 57 A HN 0.135 nan 8.150 nan 0.000 0.483 58 P HA -0.124 nan 4.420 nan 0.000 0.220 58 P C 0.177 177.469 177.300 -0.012 0.000 1.148 58 P CA 1.192 64.290 63.100 -0.003 0.000 0.803 58 P CB 0.314 32.017 31.700 0.005 0.000 0.782 59 D N -0.887 119.510 120.400 -0.005 0.000 2.349 59 D HA 0.001 4.691 4.640 0.082 0.000 0.215 59 D C 0.358 176.645 176.300 -0.023 0.000 1.016 59 D CA 0.660 54.654 54.000 -0.010 0.000 0.870 59 D CB -0.502 40.301 40.800 0.004 0.000 0.917 59 D HN 0.135 nan 8.370 nan 0.000 0.524 60 T N 1.987 116.525 114.554 -0.028 0.000 2.737 60 T HA 0.399 4.798 4.350 0.082 0.000 0.296 60 T C 0.514 175.166 174.700 -0.079 0.000 0.922 60 T CA -0.211 61.857 62.100 -0.054 0.000 1.079 60 T CB 1.092 69.924 68.868 -0.060 0.000 0.892 60 T HN -0.057 nan 8.240 nan 0.000 0.514 61 R N 2.647 123.093 120.500 -0.091 0.000 2.855 61 R HA 0.697 5.086 4.340 0.082 0.000 0.266 61 R C -0.704 175.531 176.300 -0.109 0.000 1.034 61 R CA -1.103 54.937 56.100 -0.100 0.000 0.944 61 R CB 1.551 31.801 30.300 -0.084 0.000 1.219 61 R HN 0.762 nan 8.270 nan 0.000 0.474 62 N N -1.783 116.857 118.700 -0.101 0.000 2.927 62 N HA 0.012 4.801 4.740 0.082 0.000 0.248 62 N C -0.118 175.346 175.510 -0.077 0.000 1.443 62 N CA -0.907 52.096 53.050 -0.079 0.000 0.870 62 N CB 0.821 39.290 38.487 -0.030 0.000 1.444 62 N HN 0.647 nan 8.380 nan 0.000 0.519 63 E N -0.224 119.946 120.200 -0.051 0.000 2.085 63 E HA -0.273 4.126 4.350 0.082 0.000 0.194 63 E C 1.079 177.612 176.600 -0.112 0.000 0.994 63 E CA 1.509 57.875 56.400 -0.057 0.000 0.801 63 E CB 0.088 29.779 29.700 -0.015 0.000 0.743 63 E HN 0.495 nan 8.360 nan 0.000 0.453 64 K N 0.664 120.963 120.400 -0.168 0.000 2.025 64 K HA -0.082 4.288 4.320 0.082 0.000 0.207 64 K C 2.065 178.503 176.600 -0.270 0.000 1.049 64 K CA 1.135 57.229 56.287 -0.322 0.000 0.933 64 K CB -0.442 31.693 32.500 -0.608 0.000 0.714 64 K HN 0.173 nan 8.250 nan 0.000 0.438 65 L N 0.891 121.969 121.223 -0.242 0.000 2.042 65 L HA -0.249 4.140 4.340 0.082 0.000 0.210 65 L C 1.900 178.652 176.870 -0.197 0.000 1.076 65 L CA 1.447 56.114 54.840 -0.288 0.000 0.749 65 L CB -0.617 41.270 42.059 -0.286 0.000 0.893 65 L HN 0.284 nan 8.230 nan 0.000 0.432 66 N N -0.349 118.263 118.700 -0.146 0.000 2.120 66 N HA -0.159 4.630 4.740 0.082 0.000 0.188 66 N C 2.051 177.501 175.510 -0.099 0.000 1.024 66 N CA 1.661 54.648 53.050 -0.105 0.000 0.852 66 N CB -0.473 37.966 38.487 -0.081 0.000 1.003 66 N HN 0.371 nan 8.380 nan 0.000 0.424 67 S N 0.443 116.075 115.700 -0.114 0.000 2.442 67 S HA -0.005 4.514 4.470 0.082 0.000 0.236 67 S C 1.778 176.317 174.600 -0.101 0.000 1.007 67 S CA 0.506 58.646 58.200 -0.100 0.000 0.965 67 S CB -0.490 62.642 63.200 -0.113 0.000 0.773 67 S HN 0.264 nan 8.310 nan 0.000 0.504 68 L N 0.693 121.842 121.223 -0.124 0.000 2.599 68 L HA 0.189 4.579 4.340 0.082 0.000 0.230 68 L C 2.602 179.426 176.870 -0.077 0.000 1.141 68 L CA 0.553 55.328 54.840 -0.109 0.000 0.877 68 L CB -0.393 41.584 42.059 -0.138 0.000 1.009 68 L HN 0.284 nan 8.230 nan 0.000 0.447 69 E N 1.079 121.236 120.200 -0.071 0.000 2.204 69 E HA -0.249 4.150 4.350 0.082 0.000 0.195 69 E C 1.704 178.284 176.600 -0.034 0.000 0.990 69 E CA 1.439 57.810 56.400 -0.048 0.000 0.821 69 E CB -0.039 29.634 29.700 -0.044 0.000 0.750 69 E HN 0.568 nan 8.360 nan 0.000 0.477 70 D N -0.493 119.885 120.400 -0.036 0.000 2.218 70 D HA -0.149 4.541 4.640 0.082 0.000 0.204 70 D C 1.650 177.936 176.300 -0.023 0.000 0.976 70 D CA 1.685 55.669 54.000 -0.027 0.000 0.853 70 D CB -0.376 40.408 40.800 -0.027 0.000 0.939 70 D HN 0.304 nan 8.370 nan 0.000 0.481 71 V N -3.297 116.601 119.914 -0.026 0.000 3.643 71 V HA 0.307 4.476 4.120 0.082 0.000 0.280 71 V C 0.878 176.964 176.094 -0.012 0.000 1.351 71 V CA -0.662 61.628 62.300 -0.017 0.000 1.073 71 V CB -0.492 31.321 31.823 -0.017 0.000 0.863 71 V HN -0.141 nan 8.190 nan 0.000 0.436 72 R N 2.077 122.568 120.500 -0.015 0.000 2.489 72 R HA 0.418 4.807 4.340 0.082 0.000 0.287 72 R C -0.278 176.021 176.300 -0.002 0.000 1.053 72 R CA 0.082 56.180 56.100 -0.003 0.000 1.036 72 R CB 0.668 30.966 30.300 -0.004 0.000 0.966 72 R HN 0.366 nan 8.270 nan 0.000 0.432 73 K N 1.122 121.524 120.400 0.004 0.000 2.376 73 K HA 0.335 4.705 4.320 0.082 0.000 0.257 73 K C -0.030 176.581 176.600 0.019 0.000 0.939 73 K CA -0.405 55.873 56.287 -0.015 0.000 0.809 73 K CB 1.782 34.258 32.500 -0.041 0.000 1.121 73 K HN 0.689 nan 8.250 nan 0.000 0.425 74 G N 0.584 109.411 108.800 0.046 0.000 2.504 74 G HA2 0.275 4.285 3.960 0.082 0.000 0.257 74 G HA3 0.275 4.285 3.960 0.082 0.000 0.257 74 G C 0.235 175.223 174.900 0.147 0.000 1.451 74 G CA 0.235 45.409 45.100 0.125 0.000 1.059 74 G HN 0.761 nan 8.290 nan 0.000 0.550 75 S N -2.701 113.155 115.700 0.259 0.000 2.501 75 S HA 0.098 4.617 4.470 0.082 0.000 0.250 75 S C 0.196 174.963 174.600 0.278 0.000 0.959 75 S CA -0.130 58.230 58.200 0.266 0.000 1.250 75 S CB -0.024 63.255 63.200 0.132 0.000 0.933 75 S HN 0.514 nan 8.310 nan 0.000 0.420 76 E N 3.159 123.452 120.200 0.156 0.000 2.465 76 E HA 0.254 4.654 4.350 0.082 0.000 0.260 76 E C -0.206 176.342 176.600 -0.087 0.000 0.980 76 E CA 0.306 56.734 56.400 0.047 0.000 0.927 76 E CB 0.010 29.727 29.700 0.028 0.000 0.934 76 E HN 0.387 nan 8.360 nan 0.000 0.459 77 N N 0.693 119.340 118.700 -0.090 0.000 2.878 77 N HA -0.206 4.584 4.740 0.082 0.000 0.247 77 N C -1.209 174.162 175.510 -0.232 0.000 1.021 77 N CA 1.136 54.079 53.050 -0.178 0.000 0.873 77 N CB -1.305 37.027 38.487 -0.259 0.000 1.128 77 N HN 0.391 nan 8.380 nan 0.000 0.571 78 Y N 0.554 120.859 120.300 0.009 0.000 2.420 78 Y HA 0.661 5.261 4.550 0.083 0.000 0.334 78 Y C 0.841 176.744 175.900 0.004 0.000 1.094 78 Y CA -0.566 57.538 58.100 0.007 0.000 1.126 78 Y CB 1.180 39.645 38.460 0.008 0.000 1.217 78 Y HN 0.113 nan 8.280 nan 0.000 0.462 79 A N 2.483 125.419 122.820 0.193 0.000 2.371 79 A HA 0.408 4.778 4.320 0.082 0.000 0.257 79 A C -0.747 176.885 177.584 0.080 0.000 1.089 79 A CA -0.504 51.593 52.037 0.101 0.000 0.794 79 A CB 0.119 19.165 19.000 0.077 0.000 1.029 79 A HN 0.720 nan 8.150 nan 0.000 0.488 80 L N 2.899 124.149 121.223 0.046 0.000 2.410 80 L HA 0.501 4.890 4.340 0.082 0.000 0.273 80 L C 0.643 177.520 176.870 0.011 0.000 1.144 80 L CA 1.125 55.978 54.840 0.022 0.000 0.863 80 L CB 0.306 42.369 42.059 0.007 0.000 1.140 80 L HN 0.912 nan 8.230 nan 0.000 0.463 81 T N 0.399 114.954 114.554 0.002 0.000 2.864 81 T HA 0.687 5.086 4.350 0.082 0.000 0.289 81 T C 0.226 174.925 174.700 -0.002 0.000 1.082 81 T CA -0.178 61.925 62.100 0.005 0.000 1.009 81 T CB 1.054 69.928 68.868 0.010 0.000 1.234 81 T HN 0.761 nan 8.240 nan 0.000 0.526 82 T N 0.141 114.708 114.554 0.021 0.000 2.732 82 T HA 0.257 4.656 4.350 0.082 0.000 0.287 82 T C 1.029 175.744 174.700 0.024 0.000 0.993 82 T CA -0.585 61.535 62.100 0.032 0.000 0.966 82 T CB -0.058 68.872 68.868 0.103 0.000 1.047 82 T HN 0.564 nan 8.240 nan 0.000 0.527 83 N N 0.391 119.110 118.700 0.031 0.000 2.512 83 N HA -0.052 4.737 4.740 0.082 0.000 0.183 83 N C 1.514 177.044 175.510 0.033 0.000 1.073 83 N CA 0.499 53.562 53.050 0.021 0.000 0.911 83 N CB -0.134 38.374 38.487 0.035 0.000 0.964 83 N HN 0.539 nan 8.380 nan 0.000 0.447 84 Q N -0.550 119.281 119.800 0.053 0.000 2.360 84 Q HA 0.199 4.588 4.340 0.082 0.000 0.202 84 Q C 0.805 176.827 176.000 0.037 0.000 0.915 84 Q CA 0.152 55.982 55.803 0.045 0.000 0.943 84 Q CB 0.495 29.267 28.738 0.057 0.000 1.064 84 Q HN 0.388 nan 8.270 nan 0.000 0.511 85 G N 0.487 109.308 108.800 0.034 0.000 2.141 85 G HA2 -0.235 3.775 3.960 0.082 0.000 0.242 85 G HA3 -0.235 3.775 3.960 0.082 0.000 0.242 85 G C 0.098 175.023 174.900 0.043 0.000 0.982 85 G CA 0.126 45.241 45.100 0.025 0.000 0.662 85 G HN 0.217 nan 8.290 nan 0.000 0.527 86 V N 1.769 121.725 119.914 0.071 0.000 2.461 86 V HA 0.341 4.510 4.120 0.082 0.000 0.275 86 V C 1.336 177.470 176.094 0.067 0.000 1.047 86 V CA -0.498 61.857 62.300 0.092 0.000 0.955 86 V CB 0.981 32.910 31.823 0.176 0.000 0.988 86 V HN 0.415 nan 8.190 nan 0.000 0.471 87 R N 4.446 124.978 120.500 0.053 0.000 2.570 87 R HA 0.330 4.719 4.340 0.082 0.000 0.277 87 R C -0.483 175.830 176.300 0.022 0.000 1.039 87 R CA -0.014 56.107 56.100 0.035 0.000 1.065 87 R CB 0.455 30.776 30.300 0.034 0.000 0.964 87 R HN 0.577 nan 8.270 nan 0.000 0.428 88 I N 2.043 122.613 120.570 0.000 0.000 2.353 88 I HA 0.123 4.342 4.170 0.082 0.000 0.293 88 I C 0.966 177.071 176.117 -0.020 0.000 0.992 88 I CA 0.021 61.304 61.300 -0.028 0.000 1.268 88 I CB 1.874 39.846 38.000 -0.048 0.000 1.387 88 I HN 0.778 nan 8.210 nan 0.000 0.478 89 A N 4.037 126.842 122.820 -0.025 0.000 1.911 89 A HA 0.012 4.382 4.320 0.082 0.000 0.212 89 A C 0.662 178.231 177.584 -0.026 0.000 1.189 89 A CA 0.914 52.941 52.037 -0.018 0.000 0.639 89 A CB 0.052 19.045 19.000 -0.012 0.000 0.839 89 A HN 0.683 nan 8.150 nan 0.000 0.449 90 D N -0.588 119.789 120.400 -0.039 0.000 2.421 90 D HA 0.324 5.013 4.640 0.082 0.000 0.254 90 D C -1.286 174.982 176.300 -0.054 0.000 1.238 90 D CA -0.373 53.603 54.000 -0.041 0.000 0.919 90 D CB 1.135 41.913 40.800 -0.038 0.000 1.152 90 D HN 0.057 nan 8.370 nan 0.000 0.552 91 D N 1.956 122.327 120.400 -0.048 0.000 2.370 91 D HA 0.049 4.738 4.640 0.082 0.000 0.230 91 D C 0.650 176.918 176.300 -0.053 0.000 1.143 91 D CA 0.312 54.279 54.000 -0.055 0.000 0.834 91 D CB 0.502 41.274 40.800 -0.047 0.000 0.944 91 D HN 0.243 nan 8.370 nan 0.000 0.504 92 Q N -0.673 119.098 119.800 -0.049 0.000 2.246 92 Q HA 0.258 4.647 4.340 0.082 0.000 0.222 92 Q C -0.142 175.829 176.000 -0.048 0.000 0.851 92 Q CA 0.160 55.935 55.803 -0.046 0.000 0.945 92 Q CB 0.804 29.519 28.738 -0.038 0.000 1.122 92 Q HN 0.195 nan 8.270 nan 0.000 0.508 93 N N 0.120 118.790 118.700 -0.051 0.000 2.329 93 N HA 0.324 5.113 4.740 0.082 0.000 0.282 93 N C -0.990 174.487 175.510 -0.054 0.000 1.198 93 N CA -0.267 52.755 53.050 -0.047 0.000 0.790 93 N CB 2.121 40.585 38.487 -0.038 0.000 1.579 93 N HN -0.177 nan 8.380 nan 0.000 0.475 94 S N 0.714 116.385 115.700 -0.048 0.000 2.617 94 S HA 0.318 4.838 4.470 0.082 0.000 0.269 94 S C 0.103 174.681 174.600 -0.038 0.000 1.292 94 S CA -0.595 57.577 58.200 -0.047 0.000 1.010 94 S CB 0.854 64.033 63.200 -0.036 0.000 0.944 94 S HN 0.392 nan 8.310 nan 0.000 0.536 95 L N 3.544 124.745 121.223 -0.037 0.000 2.360 95 L HA 0.407 4.797 4.340 0.082 0.000 0.276 95 L C 0.099 176.963 176.870 -0.010 0.000 1.121 95 L CA 0.411 55.238 54.840 -0.022 0.000 0.845 95 L CB -0.106 41.944 42.059 -0.016 0.000 1.143 95 L HN 0.723 nan 8.230 nan 0.000 0.452 96 R N 4.217 124.713 120.500 -0.007 0.000 2.836 96 R HA 0.863 5.252 4.340 0.082 0.000 0.269 96 R C -1.183 175.117 176.300 0.000 0.000 1.010 96 R CA -0.886 55.212 56.100 -0.003 0.000 0.930 96 R CB 1.154 31.450 30.300 -0.007 0.000 1.218 96 R HN 0.585 nan 8.270 nan 0.000 0.473 97 A N 1.282 124.104 122.820 0.002 0.000 2.527 97 A HA 0.598 4.968 4.320 0.082 0.000 0.313 97 A C 0.579 178.164 177.584 0.001 0.000 1.410 97 A CA 0.271 52.311 52.037 0.004 0.000 1.060 97 A CB -0.751 18.253 19.000 0.006 0.000 1.137 97 A HN 1.226 nan 8.150 nan 0.000 0.542 98 G N 1.228 110.028 108.800 0.000 0.000 2.692 98 G HA2 0.048 4.057 3.960 0.082 0.000 0.686 98 G HA3 0.048 4.057 3.960 0.082 0.000 0.686 98 G C 0.691 175.589 174.900 -0.004 0.000 1.243 98 G CA 0.165 45.265 45.100 -0.002 0.000 0.782 98 G HN 1.872 nan 8.290 nan 0.000 0.625 99 S N -0.248 115.448 115.700 -0.005 0.000 2.515 99 S HA 0.015 4.534 4.470 0.082 0.000 0.231 99 S C 1.561 176.156 174.600 -0.008 0.000 0.987 99 S CA 1.417 59.612 58.200 -0.008 0.000 0.936 99 S CB 0.075 63.270 63.200 -0.008 0.000 0.766 99 S HN 0.742 nan 8.310 nan 0.000 0.528 100 R N 0.701 121.197 120.500 -0.006 0.000 2.577 100 R HA 0.331 4.720 4.340 0.082 0.000 0.344 100 R C 0.863 177.160 176.300 -0.005 0.000 1.037 100 R CA 0.073 56.169 56.100 -0.006 0.000 1.102 100 R CB 0.857 31.153 30.300 -0.006 0.000 1.313 100 R HN 0.448 nan 8.270 nan 0.000 0.561 101 G N 1.710 110.508 108.800 -0.004 0.000 2.557 101 G HA2 0.371 4.380 3.960 0.082 0.000 0.302 101 G HA3 0.371 4.380 3.960 0.082 0.000 0.302 101 G C -2.391 172.508 174.900 -0.002 0.000 1.311 101 G CA -1.070 44.029 45.100 -0.002 0.000 1.030 101 G HN -0.108 nan 8.290 nan 0.000 0.509 102 P HA 0.201 nan 4.420 nan 0.000 0.275 102 P C -0.183 177.117 177.300 0.001 0.000 1.228 102 P CA -0.039 63.062 63.100 0.001 0.000 0.786 102 P CB 0.811 32.513 31.700 0.004 0.000 0.927 103 T N 2.815 117.369 114.554 0.000 0.000 2.901 103 T HA 0.245 4.644 4.350 0.082 0.000 0.301 103 T C 0.539 175.244 174.700 0.008 0.000 1.012 103 T CA -0.117 61.983 62.100 0.000 0.000 1.135 103 T CB -0.014 68.852 68.868 -0.003 0.000 0.936 103 T HN 0.190 nan 8.240 nan 0.000 0.539 104 L N 3.495 124.725 121.223 0.011 0.000 2.357 104 L HA 0.314 4.703 4.340 0.082 0.000 0.273 104 L C 1.455 178.342 176.870 0.029 0.000 1.080 104 L CA -0.762 54.091 54.840 0.020 0.000 0.803 104 L CB 0.740 42.813 42.059 0.024 0.000 1.174 104 L HN 0.517 nan 8.230 nan 0.000 0.443 105 L N 2.054 123.298 121.223 0.034 0.000 2.201 105 L HA -0.175 4.214 4.340 0.082 0.000 0.212 105 L C 2.313 179.222 176.870 0.065 0.000 1.105 105 L CA 1.580 56.446 54.840 0.044 0.000 0.775 105 L CB -0.563 41.519 42.059 0.038 0.000 0.913 105 L HN 0.792 nan 8.230 nan 0.000 0.440 106 E N -1.537 118.706 120.200 0.072 0.000 2.516 106 E HA -0.181 4.218 4.350 0.082 0.000 0.199 106 E C 0.242 176.943 176.600 0.168 0.000 1.069 106 E CA 0.258 56.726 56.400 0.113 0.000 0.876 106 E CB -0.521 29.237 29.700 0.097 0.000 0.843 106 E HN 0.371 nan 8.360 nan 0.000 0.530 107 D N 1.257 121.715 120.400 0.096 0.000 2.441 107 D HA -0.061 4.628 4.640 0.082 0.000 0.243 107 D C 0.432 176.762 176.300 0.050 0.000 1.257 107 D CA -0.403 53.617 54.000 0.033 0.000 1.027 107 D CB -0.144 40.643 40.800 -0.021 0.000 1.084 107 D HN 0.310 nan 8.370 nan 0.000 0.514 108 F N 2.134 122.093 119.950 0.014 0.000 2.407 108 F HA 0.094 4.670 4.527 0.082 0.000 0.299 108 F C 1.556 177.368 175.800 0.021 0.000 1.097 108 F CA 0.119 58.131 58.000 0.019 0.000 1.422 108 F CB -0.559 38.450 39.000 0.016 0.000 1.067 108 F HN 0.189 nan 8.300 nan 0.000 0.539 109 I N 0.325 120.512 120.570 -0.638 0.000 2.233 109 I HA -0.170 4.049 4.170 0.082 0.000 0.243 109 I C 2.449 178.459 176.117 -0.179 0.000 1.093 109 I CA 0.930 61.951 61.300 -0.464 0.000 1.380 109 I CB -0.493 37.169 38.000 -0.564 0.000 1.067 109 I HN 0.279 nan 8.210 nan 0.000 0.413 110 L N 1.149 122.284 121.223 -0.146 0.000 2.017 110 L HA -0.183 4.207 4.340 0.082 0.000 0.208 110 L C 2.637 179.501 176.870 -0.009 0.000 1.073 110 L CA 1.850 56.650 54.840 -0.068 0.000 0.745 110 L CB -0.550 41.475 42.059 -0.055 0.000 0.894 110 L HN 0.045 nan 8.230 nan 0.000 0.432 111 R N -0.552 119.960 120.500 0.020 0.000 2.096 111 R HA -0.175 4.214 4.340 0.082 0.000 0.235 111 R C 2.315 178.671 176.300 0.094 0.000 1.127 111 R CA 1.553 57.694 56.100 0.067 0.000 0.968 111 R CB -0.413 29.940 30.300 0.087 0.000 0.861 111 R HN 0.592 nan 8.270 nan 0.000 0.440 112 E N 1.256 121.513 120.200 0.095 0.000 2.051 112 E HA -0.238 4.161 4.350 0.082 0.000 0.192 112 E C 1.950 178.626 176.600 0.127 0.000 0.991 112 E CA 1.244 57.716 56.400 0.121 0.000 0.799 112 E CB 0.097 29.869 29.700 0.120 0.000 0.748 112 E HN 0.143 nan 8.360 nan 0.000 0.449 113 K N 0.289 120.732 120.400 0.072 0.000 2.032 113 K HA -0.167 4.203 4.320 0.082 0.000 0.209 113 K C 2.135 178.814 176.600 0.131 0.000 1.048 113 K CA 1.600 57.929 56.287 0.070 0.000 0.927 113 K CB -0.066 32.432 32.500 -0.003 0.000 0.712 113 K HN 0.166 nan 8.250 nan 0.000 0.441 114 I N 1.102 121.736 120.570 0.106 0.000 2.353 114 I HA -0.178 4.041 4.170 0.082 0.000 0.248 114 I C 2.154 178.409 176.117 0.230 0.000 1.119 114 I CA 1.291 62.682 61.300 0.152 0.000 1.417 114 I CB -1.398 36.652 38.000 0.082 0.000 1.078 114 I HN 0.256 nan 8.210 nan 0.000 0.421 115 T N -0.210 114.465 114.554 0.202 0.000 2.684 115 T HA -0.231 4.169 4.350 0.082 0.000 0.267 115 T C 1.966 176.841 174.700 0.291 0.000 1.036 115 T CA 1.472 63.721 62.100 0.248 0.000 1.148 115 T CB -0.450 68.541 68.868 0.206 0.000 0.863 115 T HN 0.339 nan 8.240 nan 0.000 0.436 116 H N -0.062 119.116 119.070 0.180 0.000 2.353 116 H HA -0.075 4.530 4.556 0.083 0.000 0.300 116 H C 2.209 177.616 175.328 0.132 0.000 1.090 116 H CA 1.656 57.791 56.048 0.144 0.000 1.327 116 H CB -0.456 29.366 29.762 0.099 0.000 1.383 116 H HN 0.400 nan 8.280 nan 0.000 0.508 117 F N 2.150 122.191 119.950 0.151 0.000 2.069 117 F HA -0.218 4.359 4.527 0.084 0.000 0.298 117 F C 2.075 177.851 175.800 -0.039 0.000 1.113 117 F CA 1.883 59.915 58.000 0.052 0.000 1.214 117 F CB -0.417 38.600 39.000 0.028 0.000 0.978 117 F HN 0.067 nan 8.300 nan 0.000 0.474 118 D N -0.939 119.397 120.400 -0.107 0.000 2.228 118 D HA -0.190 4.499 4.640 0.082 0.000 0.203 118 D C 1.382 177.335 176.300 -0.578 0.000 0.988 118 D CA 1.420 55.202 54.000 -0.364 0.000 0.864 118 D CB -0.522 40.102 40.800 -0.293 0.000 0.928 118 D HN 0.521 nan 8.370 nan 0.000 0.469 119 H N -0.004 118.945 119.070 -0.202 0.000 2.488 119 H HA 0.208 4.814 4.556 0.082 0.000 0.294 119 H C 1.039 176.205 175.328 -0.271 0.000 1.088 119 H CA -0.047 55.876 56.048 -0.208 0.000 1.086 119 H CB 0.449 30.102 29.762 -0.181 0.000 1.569 119 H HN 0.306 nan 8.280 nan 0.000 0.548 120 E N 0.668 120.708 120.200 -0.267 0.000 2.106 120 E HA -0.047 4.352 4.350 0.082 0.000 0.192 120 E C 0.552 176.996 176.600 -0.260 0.000 0.984 120 E CA 0.483 56.703 56.400 -0.301 0.000 0.806 120 E CB 0.429 29.931 29.700 -0.330 0.000 0.750 120 E HN 0.181 nan 8.360 nan 0.000 0.458 121 R N 1.249 121.649 120.500 -0.166 0.000 2.490 121 R HA 0.339 4.729 4.340 0.082 0.000 0.278 121 R C 0.451 176.779 176.300 0.048 0.000 1.069 121 R CA -0.143 55.931 56.100 -0.042 0.000 1.080 121 R CB 0.439 30.704 30.300 -0.059 0.000 1.030 121 R HN 0.180 nan 8.270 nan 0.000 0.491 122 I N -1.293 119.364 120.570 0.145 0.000 2.892 122 I HA 0.564 4.783 4.170 0.082 0.000 0.306 122 I C -2.355 173.817 176.117 0.091 0.000 1.078 122 I CA -2.989 58.391 61.300 0.133 0.000 1.032 122 I CB 2.089 40.203 38.000 0.190 0.000 1.229 122 I HN 0.249 nan 8.210 nan 0.000 0.435 123 P HA 0.090 nan 4.420 nan 0.000 0.265 123 P C -0.853 176.466 177.300 0.032 0.000 1.193 123 P CA 0.015 63.133 63.100 0.030 0.000 0.765 123 P CB 0.403 32.110 31.700 0.012 0.000 0.823 124 E N 2.737 122.957 120.200 0.033 0.000 2.369 124 E HA 0.217 4.616 4.350 0.082 0.000 0.255 124 E C -0.446 176.162 176.600 0.014 0.000 1.172 124 E CA -0.905 55.518 56.400 0.038 0.000 0.932 124 E CB 0.632 30.362 29.700 0.049 0.000 1.040 124 E HN 0.256 nan 8.360 nan 0.000 0.454 125 R N 0.630 121.138 120.500 0.013 0.000 2.640 125 R HA -0.006 4.384 4.340 0.082 0.000 0.270 125 R C 1.125 177.424 176.300 -0.001 0.000 1.024 125 R CA -0.017 56.079 56.100 -0.007 0.000 1.085 125 R CB 0.163 30.467 30.300 0.007 0.000 0.963 125 R HN 0.650 nan 8.270 nan 0.000 0.426 126 I N 2.967 123.526 120.570 -0.017 0.000 2.264 126 I HA -0.188 4.031 4.170 0.082 0.000 0.248 126 I C 0.371 176.501 176.117 0.022 0.000 1.111 126 I CA 1.372 62.672 61.300 0.001 0.000 1.382 126 I CB 0.392 38.389 38.000 -0.004 0.000 1.060 126 I HN 0.400 nan 8.210 nan 0.000 0.418 127 V N -2.101 117.836 119.914 0.038 0.000 3.040 127 V HA 0.546 4.715 4.120 0.082 0.000 0.312 127 V C -0.062 176.075 176.094 0.071 0.000 1.115 127 V CA -0.663 61.681 62.300 0.074 0.000 0.998 127 V CB 1.340 33.254 31.823 0.152 0.000 1.042 127 V HN 0.403 nan 8.190 nan 0.000 0.433 128 N N 0.158 118.911 118.700 0.089 0.000 2.754 128 N HA -0.175 4.614 4.740 0.082 0.000 0.248 128 N C 0.922 176.475 175.510 0.071 0.000 1.093 128 N CA 1.100 54.199 53.050 0.082 0.000 0.699 128 N CB -1.278 37.248 38.487 0.065 0.000 1.016 128 N HN 1.290 nan 8.380 nan 0.000 0.552 129 A N -0.537 122.326 122.820 0.071 0.000 2.015 129 A HA -0.020 4.350 4.320 0.082 0.000 0.219 129 A C 1.409 179.059 177.584 0.110 0.000 1.163 129 A CA 1.174 53.256 52.037 0.076 0.000 0.646 129 A CB 0.012 19.049 19.000 0.060 0.000 0.806 129 A HN 0.311 nan 8.150 nan 0.000 0.448 130 R N 0.309 120.880 120.500 0.119 0.000 2.196 130 R HA 0.508 4.898 4.340 0.082 0.000 0.340 130 R C -0.125 176.283 176.300 0.179 0.000 1.043 130 R CA 0.687 56.880 56.100 0.156 0.000 0.883 130 R CB 0.166 30.554 30.300 0.146 0.000 1.078 130 R HN 0.305 nan 8.270 nan 0.000 0.462 131 G N 0.830 109.763 108.800 0.222 0.000 2.677 131 G HA2 0.518 4.527 3.960 0.082 0.000 0.291 131 G HA3 0.518 4.527 3.960 0.082 0.000 0.291 131 G C -1.577 173.481 174.900 0.263 0.000 1.435 131 G CA -0.593 44.608 45.100 0.169 0.000 0.826 131 G HN 0.478 nan 8.290 nan 0.000 0.491 132 S N -0.977 114.827 115.700 0.174 0.000 2.538 132 S HA 0.876 5.396 4.470 0.082 0.000 0.288 132 S C -0.140 174.481 174.600 0.034 0.000 1.108 132 S CA -0.204 58.160 58.200 0.273 0.000 0.971 132 S CB 1.712 65.185 63.200 0.455 0.000 1.041 132 S HN 1.481 nan 8.310 nan 0.000 0.483 133 A N 1.649 124.456 122.820 -0.021 0.000 2.469 133 A HA 1.030 5.399 4.320 0.082 0.000 0.299 133 A C -0.894 176.516 177.584 -0.291 0.000 1.098 133 A CA -0.739 51.077 52.037 -0.368 0.000 0.737 133 A CB 1.617 20.244 19.000 -0.622 0.000 1.312 133 A HN 1.297 nan 8.150 nan 0.000 0.414 134 A N 0.451 122.936 122.820 -0.559 0.000 2.606 134 A HA 0.732 5.101 4.320 0.082 0.000 0.293 134 A C -1.060 176.328 177.584 -0.326 0.000 1.082 134 A CA -0.648 51.216 52.037 -0.288 0.000 0.685 134 A CB 0.761 19.682 19.000 -0.131 0.000 1.284 134 A HN 0.882 nan 8.150 nan 0.000 0.408 135 H N -0.419 118.670 119.070 0.031 0.000 2.488 135 H HA 0.700 5.305 4.556 0.082 0.000 0.347 135 H C 0.605 175.935 175.328 0.005 0.000 1.174 135 H CA 0.797 56.921 56.048 0.126 0.000 1.307 135 H CB 1.851 31.688 29.762 0.126 0.000 1.517 135 H HN 1.158 nan 8.280 nan 0.000 0.554 136 G N 0.331 109.240 108.800 0.182 0.000 2.500 136 G HA2 0.352 4.362 3.960 0.082 0.000 0.299 136 G HA3 0.352 4.362 3.960 0.082 0.000 0.299 136 G C -2.083 172.962 174.900 0.241 0.000 1.242 136 G CA -0.672 44.498 45.100 0.116 0.000 0.859 136 G HN 0.635 nan 8.290 nan 0.000 0.481 137 Y N -1.816 118.527 120.300 0.070 0.000 2.597 137 Y HA 0.843 5.442 4.550 0.082 0.000 0.340 137 Y C -1.647 174.396 175.900 0.239 0.000 1.097 137 Y CA -1.861 56.326 58.100 0.145 0.000 1.037 137 Y CB 1.956 40.474 38.460 0.097 0.000 1.305 137 Y HN 0.832 nan 8.280 nan 0.000 0.463 138 F N 2.736 122.828 119.950 0.236 0.000 2.577 138 F HA 0.685 5.262 4.527 0.084 0.000 0.318 138 F C -1.471 174.514 175.800 0.309 0.000 1.065 138 F CA -0.574 57.570 58.000 0.240 0.000 0.929 138 F CB 2.286 41.565 39.000 0.464 0.000 1.237 138 F HN 0.799 nan 8.300 nan 0.000 0.468 139 Q N 5.225 124.434 119.800 -0.985 0.000 2.352 139 Q HA 0.513 4.902 4.340 0.082 0.000 0.270 139 Q C -3.342 172.033 176.000 -1.041 0.000 1.006 139 Q CA -2.171 53.231 55.803 -0.668 0.000 0.880 139 Q CB 2.698 31.355 28.738 -0.134 0.000 1.392 139 Q HN 0.316 nan 8.270 nan 0.000 0.401 140 P HA 0.053 nan 4.420 nan 0.000 0.274 140 P C -0.412 176.745 177.300 -0.237 0.000 1.237 140 P CA -0.071 62.782 63.100 -0.412 0.000 0.793 140 P CB 0.601 32.226 31.700 -0.126 0.000 0.977 141 Y N 0.537 120.770 120.300 -0.111 0.000 2.337 141 Y HA -0.047 4.553 4.550 0.083 0.000 0.293 141 Y C 1.468 177.337 175.900 -0.051 0.000 1.123 141 Y CA 0.509 58.567 58.100 -0.070 0.000 1.201 141 Y CB 0.266 38.694 38.460 -0.055 0.000 1.011 141 Y HN 0.355 nan 8.280 nan 0.000 0.545 142 K N -1.070 119.388 120.400 0.096 0.000 2.555 142 K HA 0.390 4.759 4.320 0.082 0.000 0.279 142 K C -0.919 175.683 176.600 0.004 0.000 0.986 142 K CA -0.943 55.371 56.287 0.044 0.000 0.880 142 K CB 1.594 34.120 32.500 0.044 0.000 1.474 142 K HN -0.251 nan 8.250 nan 0.000 0.433 143 S N 0.881 116.581 115.700 -0.000 0.000 2.549 143 S HA 0.134 4.654 4.470 0.082 0.000 0.286 143 S C 0.411 174.998 174.600 -0.022 0.000 1.314 143 S CA -0.568 57.623 58.200 -0.016 0.000 1.062 143 S CB -0.161 63.033 63.200 -0.010 0.000 0.865 143 S HN 0.557 nan 8.310 nan 0.000 0.498 144 L N 4.730 125.929 121.223 -0.040 0.000 2.872 144 L HA 0.134 4.523 4.340 0.082 0.000 0.245 144 L C 2.079 178.930 176.870 -0.031 0.000 1.211 144 L CA 0.018 54.841 54.840 -0.028 0.000 1.013 144 L CB -0.211 41.833 42.059 -0.025 0.000 1.326 144 L HN 0.865 nan 8.230 nan 0.000 0.525 145 S N -1.466 114.214 115.700 -0.034 0.000 2.419 145 S HA -0.212 4.307 4.470 0.082 0.000 0.235 145 S C 1.321 175.903 174.600 -0.031 0.000 1.019 145 S CA 1.321 59.500 58.200 -0.035 0.000 0.982 145 S CB -0.150 63.035 63.200 -0.026 0.000 0.789 145 S HN 0.395 nan 8.310 nan 0.000 0.490 146 D N 2.029 122.416 120.400 -0.022 0.000 2.178 146 D HA -0.019 4.670 4.640 0.082 0.000 0.201 146 D C 1.838 178.120 176.300 -0.030 0.000 0.980 146 D CA 1.566 55.553 54.000 -0.021 0.000 0.842 146 D CB -0.227 40.566 40.800 -0.011 0.000 0.948 146 D HN 0.818 nan 8.370 nan 0.000 0.472 147 I N -4.146 116.407 120.570 -0.028 0.000 4.187 147 I HA 0.227 4.446 4.170 0.082 0.000 0.326 147 I C 0.360 176.435 176.117 -0.071 0.000 1.302 147 I CA 0.028 61.303 61.300 -0.043 0.000 1.196 147 I CB 1.119 39.114 38.000 -0.009 0.000 1.095 147 I HN -0.238 nan 8.210 nan 0.000 0.411 148 T N 1.576 116.091 114.554 -0.065 0.000 2.982 148 T HA 0.302 4.701 4.350 0.082 0.000 0.321 148 T C -0.019 174.627 174.700 -0.091 0.000 1.229 148 T CA -0.689 61.354 62.100 -0.095 0.000 1.044 148 T CB 1.769 70.570 68.868 -0.111 0.000 1.184 148 T HN 0.432 nan 8.240 nan 0.000 0.477 149 K N 2.531 122.876 120.400 -0.092 0.000 2.417 149 K HA 0.565 4.934 4.320 0.082 0.000 0.196 149 K C 0.765 177.323 176.600 -0.069 0.000 1.023 149 K CA -0.277 55.968 56.287 -0.071 0.000 1.122 149 K CB 0.225 32.690 32.500 -0.059 0.000 0.850 149 K HN 0.505 nan 8.250 nan 0.000 0.521 150 A N 2.153 124.909 122.820 -0.107 0.000 2.548 150 A HA -0.063 4.307 4.320 0.082 0.000 0.247 150 A C 0.554 178.091 177.584 -0.078 0.000 1.067 150 A CA 0.117 52.098 52.037 -0.093 0.000 0.757 150 A CB 0.069 18.952 19.000 -0.195 0.000 0.996 150 A HN 0.459 nan 8.150 nan 0.000 0.504 151 D N 2.116 122.546 120.400 0.049 0.000 2.144 151 D HA -0.228 4.462 4.640 0.082 0.000 0.199 151 D C 1.357 177.727 176.300 0.115 0.000 0.984 151 D CA 2.236 56.282 54.000 0.077 0.000 0.834 151 D CB -0.245 40.623 40.800 0.114 0.000 0.955 151 D HN 0.739 nan 8.370 nan 0.000 0.465 152 F N -0.682 119.286 119.950 0.030 0.000 2.641 152 F HA 0.138 4.715 4.527 0.083 0.000 0.298 152 F C 1.001 176.890 175.800 0.148 0.000 1.146 152 F CA 0.430 58.491 58.000 0.101 0.000 1.464 152 F CB -0.205 38.846 39.000 0.085 0.000 1.101 152 F HN -0.050 nan 8.300 nan 0.000 0.585 153 L N 0.641 121.566 121.223 -0.498 0.000 2.959 153 L HA 0.204 4.593 4.340 0.082 0.000 0.259 153 L C 1.951 178.727 176.870 -0.155 0.000 1.185 153 L CA 0.361 54.984 54.840 -0.362 0.000 0.998 153 L CB 0.007 41.735 42.059 -0.553 0.000 1.337 153 L HN 0.299 nan 8.230 nan 0.000 0.555 154 S N -2.146 113.503 115.700 -0.085 0.000 2.478 154 S HA 0.018 4.537 4.470 0.082 0.000 0.222 154 S C 0.474 175.068 174.600 -0.011 0.000 1.008 154 S CA 0.085 58.261 58.200 -0.040 0.000 0.928 154 S CB 0.150 63.342 63.200 -0.014 0.000 0.781 154 S HN 0.358 nan 8.310 nan 0.000 0.518 155 D N 0.674 121.078 120.400 0.006 0.000 2.966 155 D HA 0.343 5.032 4.640 0.082 0.000 0.222 155 D C -2.491 173.820 176.300 0.019 0.000 1.292 155 D CA -1.972 52.038 54.000 0.017 0.000 0.907 155 D CB 2.161 42.979 40.800 0.030 0.000 1.621 155 D HN -0.159 nan 8.370 nan 0.000 0.557 156 P HA -0.068 nan 4.420 nan 0.000 0.221 156 P C 0.383 177.696 177.300 0.022 0.000 1.145 156 P CA 0.782 63.889 63.100 0.012 0.000 0.795 156 P CB 0.416 32.134 31.700 0.031 0.000 0.775 157 N N -0.467 118.251 118.700 0.031 0.000 2.235 157 N HA 0.072 4.861 4.740 0.082 0.000 0.209 157 N C 0.197 175.735 175.510 0.047 0.000 1.122 157 N CA 0.129 53.201 53.050 0.036 0.000 0.845 157 N CB 0.535 39.040 38.487 0.030 0.000 1.004 157 N HN 0.261 nan 8.380 nan 0.000 0.499 158 K N 1.346 121.783 120.400 0.062 0.000 2.316 158 K HA 0.418 4.787 4.320 0.082 0.000 0.267 158 K C -0.258 176.426 176.600 0.141 0.000 1.025 158 K CA -0.286 56.057 56.287 0.094 0.000 0.896 158 K CB 1.532 34.092 32.500 0.101 0.000 1.124 158 K HN -0.050 nan 8.250 nan 0.000 0.451 159 I N 2.250 122.907 120.570 0.145 0.000 2.396 159 I HA 0.158 4.378 4.170 0.082 0.000 0.292 159 I C 0.102 176.386 176.117 0.280 0.000 0.999 159 I CA -0.318 61.107 61.300 0.209 0.000 1.310 159 I CB 1.737 39.819 38.000 0.136 0.000 1.404 159 I HN 0.435 nan 8.210 nan 0.000 0.496 160 T N 6.800 121.606 114.554 0.420 0.000 2.791 160 T HA 0.343 4.742 4.350 0.082 0.000 0.288 160 T C -2.501 172.467 174.700 0.445 0.000 0.999 160 T CA -1.405 60.970 62.100 0.457 0.000 0.952 160 T CB 1.512 70.759 68.868 0.632 0.000 0.938 160 T HN 0.260 nan 8.240 nan 0.000 0.444 161 P HA 0.256 nan 4.420 nan 0.000 0.268 161 P C -0.521 177.033 177.300 0.423 0.000 1.205 161 P CA -0.420 62.880 63.100 0.333 0.000 0.771 161 P CB 0.527 32.342 31.700 0.192 0.000 0.858 162 V N 0.260 120.362 119.914 0.314 0.000 3.074 162 V HA 0.743 4.913 4.120 0.082 0.000 0.314 162 V C -1.315 174.955 176.094 0.293 0.000 1.117 162 V CA -0.984 61.405 62.300 0.148 0.000 1.014 162 V CB 2.229 33.919 31.823 -0.222 0.000 1.057 162 V HN 0.316 nan 8.190 nan 0.000 0.438 163 F N 2.137 122.088 119.950 0.001 0.000 2.536 163 F HA 0.828 5.404 4.527 0.081 0.000 0.322 163 F C -0.842 174.862 175.800 -0.160 0.000 1.144 163 F CA -0.737 57.202 58.000 -0.102 0.000 0.924 163 F CB 1.901 40.863 39.000 -0.063 0.000 1.181 163 F HN 0.527 nan 8.300 nan 0.000 0.438 164 V N 6.544 125.997 119.914 -0.769 0.000 2.555 164 V HA 0.579 4.748 4.120 0.082 0.000 0.302 164 V C -0.619 174.829 176.094 -1.078 0.000 1.038 164 V CA -0.851 60.932 62.300 -0.861 0.000 0.887 164 V CB 1.966 33.216 31.823 -0.955 0.000 0.991 164 V HN 0.722 nan 8.190 nan 0.000 0.434 165 R N 3.289 123.184 120.500 -1.008 0.000 2.480 165 R HA 0.621 5.011 4.340 0.082 0.000 0.306 165 R C -1.657 174.060 176.300 -0.971 0.000 0.958 165 R CA -0.420 55.183 56.100 -0.829 0.000 0.861 165 R CB 1.146 31.177 30.300 -0.447 0.000 1.171 165 R HN 0.557 nan 8.270 nan 0.000 0.445 166 F N 2.027 121.568 119.950 -0.681 0.000 2.425 166 F HA 0.526 5.103 4.527 0.084 0.000 0.331 166 F C 0.453 175.870 175.800 -0.639 0.000 1.085 166 F CA -0.201 57.256 58.000 -0.905 0.000 1.028 166 F CB 2.156 40.114 39.000 -1.737 0.000 1.177 166 F HN 0.598 nan 8.300 nan 0.000 0.487 167 S N -0.875 114.698 115.700 -0.212 0.000 2.656 167 S HA 0.701 5.220 4.470 0.082 0.000 0.273 167 S C -0.609 174.086 174.600 0.157 0.000 1.168 167 S CA -0.894 57.315 58.200 0.016 0.000 0.817 167 S CB 1.473 64.674 63.200 0.002 0.000 1.146 167 S HN 0.692 nan 8.310 nan 0.000 0.475 168 T N -1.757 112.918 114.554 0.203 0.000 2.888 168 T HA 0.724 5.124 4.350 0.082 0.000 0.283 168 T C 0.687 175.488 174.700 0.168 0.000 1.013 168 T CA -0.271 61.957 62.100 0.214 0.000 0.938 168 T CB 0.600 69.593 68.868 0.208 0.000 1.298 168 T HN 0.583 nan 8.240 nan 0.000 0.580 169 V N -0.237 119.778 119.914 0.167 0.000 2.948 169 V HA 0.116 4.285 4.120 0.082 0.000 0.234 169 V C 2.730 178.890 176.094 0.110 0.000 1.205 169 V CA 0.304 62.702 62.300 0.163 0.000 1.234 169 V CB -0.212 31.754 31.823 0.238 0.000 1.020 169 V HN 0.870 nan 8.190 nan 0.000 0.491 170 Q N 1.175 121.024 119.800 0.080 0.000 2.020 170 Q HA 0.035 4.425 4.340 0.082 0.000 0.198 170 Q C 1.334 177.344 176.000 0.015 0.000 0.974 170 Q CA 1.466 57.281 55.803 0.021 0.000 0.829 170 Q CB -0.432 28.295 28.738 -0.019 0.000 0.894 170 Q HN 0.585 nan 8.270 nan 0.000 0.433 171 G N -0.022 108.797 108.800 0.032 0.000 2.614 171 G HA2 0.321 4.330 3.960 0.082 0.000 0.239 171 G HA3 0.321 4.330 3.960 0.082 0.000 0.239 171 G C 0.203 175.121 174.900 0.030 0.000 1.240 171 G CA 0.112 45.225 45.100 0.022 0.000 0.842 171 G HN 0.358 nan 8.290 nan 0.000 0.584 172 G N -0.896 107.913 108.800 0.014 0.000 2.653 172 G HA2 0.481 4.490 3.960 0.082 0.000 0.265 172 G HA3 0.481 4.490 3.960 0.082 0.000 0.265 172 G C 1.357 176.285 174.900 0.046 0.000 1.237 172 G CA 0.425 45.539 45.100 0.022 0.000 0.946 172 G HN 1.103 nan 8.290 nan 0.000 0.522 173 A N -0.773 122.083 122.820 0.059 0.000 2.024 173 A HA 0.107 4.477 4.320 0.082 0.000 0.220 173 A C 2.213 179.833 177.584 0.059 0.000 1.164 173 A CA 2.023 54.113 52.037 0.088 0.000 0.643 173 A CB -0.411 18.657 19.000 0.113 0.000 0.806 173 A HN 1.135 nan 8.150 nan 0.000 0.451 174 G N -0.235 108.582 108.800 0.029 0.000 3.284 174 G HA2 0.344 4.353 3.960 0.082 0.000 0.236 174 G HA3 0.344 4.353 3.960 0.082 0.000 0.236 174 G C 0.640 175.542 174.900 0.003 0.000 1.158 174 G CA 0.637 45.740 45.100 0.005 0.000 0.774 174 G HN 0.641 nan 8.290 nan 0.000 0.545 175 S N -0.243 115.468 115.700 0.018 0.000 2.655 175 S HA 0.746 5.266 4.470 0.082 0.000 0.265 175 S C 0.454 175.071 174.600 0.027 0.000 1.240 175 S CA -0.154 58.055 58.200 0.015 0.000 0.986 175 S CB 1.658 64.871 63.200 0.021 0.000 0.985 175 S HN 0.531 nan 8.310 nan 0.000 0.562 176 A N 0.253 123.085 122.820 0.020 0.000 2.322 176 A HA 0.407 4.776 4.320 0.082 0.000 0.269 176 A C 0.647 178.258 177.584 0.044 0.000 1.094 176 A CA -0.573 51.473 52.037 0.014 0.000 0.807 176 A CB -0.112 18.878 19.000 -0.016 0.000 1.047 176 A HN 0.863 nan 8.150 nan 0.000 0.487 177 D N 0.553 120.969 120.400 0.026 0.000 2.103 177 D HA -0.078 4.611 4.640 0.082 0.000 0.199 177 D C 1.692 177.978 176.300 -0.022 0.000 0.978 177 D CA 2.284 56.313 54.000 0.048 0.000 0.829 177 D CB -0.323 40.456 40.800 -0.035 0.000 0.981 177 D HN 0.688 nan 8.370 nan 0.000 0.464 178 T N -0.055 114.399 114.554 -0.167 0.000 3.406 178 T HA 0.253 4.652 4.350 0.082 0.000 0.244 178 T C 0.874 175.569 174.700 -0.008 0.000 0.949 178 T CA -0.530 61.470 62.100 -0.166 0.000 0.926 178 T CB -1.069 67.612 68.868 -0.312 0.000 1.089 178 T HN -0.069 nan 8.240 nan 0.000 0.604 179 V N -1.360 118.603 119.914 0.081 0.000 3.319 179 V HA 0.438 4.607 4.120 0.082 0.000 0.303 179 V C 0.709 176.956 176.094 0.255 0.000 1.094 179 V CA -1.461 60.936 62.300 0.162 0.000 1.106 179 V CB 0.424 32.334 31.823 0.145 0.000 1.099 179 V HN 0.525 nan 8.190 nan 0.000 0.476 180 R N 1.539 122.242 120.500 0.338 0.000 2.210 180 R HA 0.468 4.857 4.340 0.082 0.000 0.338 180 R C -0.975 175.423 176.300 0.163 0.000 1.062 180 R CA -0.044 56.210 56.100 0.258 0.000 0.902 180 R CB 0.044 30.422 30.300 0.130 0.000 1.050 180 R HN 1.056 nan 8.270 nan 0.000 0.461 181 D N 3.214 123.723 120.400 0.181 0.000 2.725 181 D HA 0.195 4.885 4.640 0.082 0.000 0.292 181 D C -0.660 175.774 176.300 0.222 0.000 1.288 181 D CA -0.608 53.496 54.000 0.174 0.000 0.784 181 D CB 1.202 42.102 40.800 0.168 0.000 1.308 181 D HN 0.210 nan 8.370 nan 0.000 0.429 182 I N 1.245 121.969 120.570 0.258 0.000 2.823 182 I HA 0.272 4.491 4.170 0.082 0.000 0.290 182 I C 0.775 177.041 176.117 0.249 0.000 1.091 182 I CA -0.106 61.348 61.300 0.256 0.000 1.365 182 I CB 0.159 38.344 38.000 0.309 0.000 1.427 182 I HN 0.248 nan 8.210 nan 0.000 0.583 183 R N 2.555 123.199 120.500 0.240 0.000 2.637 183 R HA 0.578 4.967 4.340 0.082 0.000 0.291 183 R C -0.109 176.308 176.300 0.195 0.000 0.963 183 R CA -0.762 55.480 56.100 0.236 0.000 0.901 183 R CB 1.542 32.007 30.300 0.274 0.000 1.160 183 R HN 0.807 nan 8.270 nan 0.000 0.457 184 G N 0.913 109.792 108.800 0.132 0.000 2.425 184 G HA2 0.512 4.521 3.960 0.082 0.000 0.302 184 G HA3 0.512 4.521 3.960 0.082 0.000 0.302 184 G C -1.316 173.606 174.900 0.037 0.000 1.159 184 G CA -0.086 45.057 45.100 0.071 0.000 0.865 184 G HN 0.353 nan 8.290 nan 0.000 0.515 185 F N 1.861 121.690 119.950 -0.203 0.000 3.090 185 F HA 0.640 5.216 4.527 0.081 0.000 0.381 185 F C -0.220 175.279 175.800 -0.502 0.000 1.231 185 F CA -1.835 55.948 58.000 -0.362 0.000 1.177 185 F CB 0.960 39.855 39.000 -0.174 0.000 1.598 185 F HN 0.660 nan 8.300 nan 0.000 0.589 186 A N 3.249 125.787 122.820 -0.472 0.000 2.318 186 A HA 0.796 5.166 4.320 0.082 0.000 0.324 186 A C -0.577 176.514 177.584 -0.821 0.000 1.170 186 A CA -0.430 51.145 52.037 -0.769 0.000 0.810 186 A CB 0.831 18.994 19.000 -1.395 0.000 1.198 186 A HN 0.528 nan 8.150 nan 0.000 0.484 187 T N 2.316 116.566 114.554 -0.505 0.000 2.812 187 T HA 0.410 4.809 4.350 0.082 0.000 0.282 187 T C -0.403 174.115 174.700 -0.304 0.000 0.990 187 T CA -0.501 61.333 62.100 -0.443 0.000 0.960 187 T CB 1.102 69.664 68.868 -0.511 0.000 0.948 187 T HN 0.640 nan 8.240 nan 0.000 0.438 188 K N 3.461 123.761 120.400 -0.167 0.000 2.293 188 K HA 0.466 4.835 4.320 0.082 0.000 0.267 188 K C -1.336 174.946 176.600 -0.530 0.000 1.010 188 K CA -0.620 55.500 56.287 -0.279 0.000 0.875 188 K CB 0.442 32.752 32.500 -0.316 0.000 1.106 188 K HN 0.406 nan 8.250 nan 0.000 0.450 189 F N 4.310 123.980 119.950 -0.467 0.000 2.391 189 F HA 0.243 4.819 4.527 0.081 0.000 0.359 189 F C -0.442 175.159 175.800 -0.333 0.000 1.122 189 F CA -0.601 57.194 58.000 -0.342 0.000 1.120 189 F CB 0.713 39.434 39.000 -0.465 0.000 1.142 189 F HN 0.453 nan 8.300 nan 0.000 0.483 190 Y N 1.909 122.276 120.300 0.112 0.000 2.632 190 Y HA 0.208 4.807 4.550 0.082 0.000 0.336 190 Y C 1.053 177.017 175.900 0.107 0.000 1.237 190 Y CA -0.825 57.321 58.100 0.077 0.000 1.595 190 Y CB -0.275 38.220 38.460 0.058 0.000 1.508 190 Y HN 0.524 nan 8.280 nan 0.000 0.480 191 T N -2.356 112.297 114.554 0.165 0.000 2.874 191 T HA 0.169 4.569 4.350 0.082 0.000 0.281 191 T C 1.025 175.820 174.700 0.158 0.000 0.994 191 T CA -0.739 61.465 62.100 0.174 0.000 1.015 191 T CB 1.111 70.055 68.868 0.126 0.000 1.028 191 T HN 0.645 nan 8.240 nan 0.000 0.523 192 E N 0.177 120.473 120.200 0.161 0.000 2.338 192 E HA -0.069 4.330 4.350 0.082 0.000 0.197 192 E C 1.025 177.691 176.600 0.109 0.000 1.007 192 E CA 0.826 57.303 56.400 0.127 0.000 0.849 192 E CB 0.115 29.886 29.700 0.119 0.000 0.774 192 E HN 0.743 nan 8.360 nan 0.000 0.506 193 E N 0.061 120.328 120.200 0.111 0.000 2.651 193 E HA 0.264 4.663 4.350 0.082 0.000 0.208 193 E C 0.074 176.720 176.600 0.076 0.000 0.997 193 E CA -0.230 56.227 56.400 0.094 0.000 1.020 193 E CB 1.320 31.079 29.700 0.097 0.000 1.052 193 E HN 0.174 nan 8.360 nan 0.000 0.465 194 G N 1.129 109.969 108.800 0.066 0.000 2.362 194 G HA2 -0.092 3.918 3.960 0.082 0.000 0.656 194 G HA3 -0.092 3.918 3.960 0.082 0.000 0.656 194 G C -0.902 173.999 174.900 0.002 0.000 1.376 194 G CA -1.128 43.985 45.100 0.023 0.000 0.971 194 G HN 0.013 nan 8.290 nan 0.000 0.636 195 I N 0.704 121.238 120.570 -0.061 0.000 2.556 195 I HA 0.381 4.600 4.170 0.082 0.000 0.284 195 I C 0.070 176.176 176.117 -0.019 0.000 1.114 195 I CA 0.062 61.298 61.300 -0.106 0.000 1.418 195 I CB 0.787 38.655 38.000 -0.220 0.000 1.394 195 I HN 0.471 nan 8.210 nan 0.000 0.552 196 F N 6.578 126.410 119.950 -0.195 0.000 2.460 196 F HA 0.454 5.029 4.527 0.080 0.000 0.341 196 F C -0.690 175.063 175.800 -0.078 0.000 1.130 196 F CA -1.249 56.624 58.000 -0.211 0.000 0.962 196 F CB 0.790 39.485 39.000 -0.509 0.000 1.171 196 F HN 0.342 nan 8.300 nan 0.000 0.436 197 D N 6.745 126.918 120.400 -0.379 0.000 2.233 197 D HA 0.267 4.956 4.640 0.082 0.000 0.240 197 D C -0.675 175.136 176.300 -0.816 0.000 1.074 197 D CA 0.004 53.742 54.000 -0.437 0.000 0.838 197 D CB 2.457 43.220 40.800 -0.061 0.000 1.124 197 D HN 0.650 nan 8.370 nan 0.000 0.475 198 L N 3.185 123.934 121.223 -0.790 0.000 2.297 198 L HA 0.279 4.668 4.340 0.082 0.000 0.277 198 L C -1.008 175.667 176.870 -0.325 0.000 1.040 198 L CA -0.654 53.794 54.840 -0.653 0.000 0.867 198 L CB 0.678 42.375 42.059 -0.604 0.000 1.244 198 L HN 0.054 nan 8.230 nan 0.000 0.433 199 V N 5.221 124.999 119.914 -0.226 0.000 2.284 199 V HA 0.513 4.682 4.120 0.082 0.000 0.260 199 V C 0.819 176.864 176.094 -0.082 0.000 1.084 199 V CA -0.236 61.954 62.300 -0.183 0.000 0.894 199 V CB 0.391 32.106 31.823 -0.179 0.000 1.119 199 V HN 0.814 nan 8.190 nan 0.000 0.484 200 G N 3.436 112.186 108.800 -0.084 0.000 3.108 200 G HA2 0.661 4.670 3.960 0.082 0.000 0.268 200 G HA3 0.661 4.670 3.960 0.082 0.000 0.268 200 G C -0.936 173.987 174.900 0.038 0.000 1.361 200 G CA -0.637 44.453 45.100 -0.015 0.000 1.047 200 G HN 0.479 nan 8.290 nan 0.000 0.540 201 N N -0.881 117.873 118.700 0.089 0.000 2.701 201 N HA 0.262 5.052 4.740 0.082 0.000 0.290 201 N C 0.345 176.012 175.510 0.261 0.000 1.338 201 N CA -0.753 52.390 53.050 0.155 0.000 0.799 201 N CB 1.275 39.826 38.487 0.107 0.000 1.491 201 N HN 0.530 nan 8.380 nan 0.000 0.540 202 N N -1.372 117.497 118.700 0.282 0.000 2.270 202 N HA -0.001 4.788 4.740 0.082 0.000 0.198 202 N C -0.609 175.137 175.510 0.395 0.000 1.117 202 N CA -0.072 53.203 53.050 0.376 0.000 0.845 202 N CB -0.105 38.582 38.487 0.332 0.000 0.980 202 N HN 0.541 nan 8.380 nan 0.000 0.486 203 T N -3.215 111.396 114.554 0.096 0.000 2.893 203 T HA 0.434 4.833 4.350 0.082 0.000 0.293 203 T C -2.597 171.512 174.700 -0.985 0.000 1.027 203 T CA -1.602 60.146 62.100 -0.587 0.000 0.988 203 T CB 3.045 71.491 68.868 -0.704 0.000 1.043 203 T HN -0.244 nan 8.240 nan 0.000 0.461 204 P HA 0.171 nan 4.420 nan 0.000 0.245 204 P C 0.420 177.190 177.300 -0.882 0.000 1.212 204 P CA 0.105 62.289 63.100 -1.528 0.000 0.774 204 P CB -0.070 30.585 31.700 -1.742 0.000 0.999 205 I N -4.287 115.734 120.570 -0.915 0.000 3.174 205 I HA 0.544 4.763 4.170 0.082 0.000 0.313 205 I C -1.319 174.514 176.117 -0.474 0.000 1.155 205 I CA -2.106 58.815 61.300 -0.631 0.000 0.977 205 I CB 1.468 39.056 38.000 -0.686 0.000 1.248 205 I HN -0.245 nan 8.210 nan 0.000 0.453 206 F N 1.006 120.681 119.950 -0.458 0.000 2.557 206 F HA 0.500 5.077 4.527 0.084 0.000 0.336 206 F C 0.363 175.938 175.800 -0.376 0.000 1.058 206 F CA -0.735 57.039 58.000 -0.376 0.000 0.988 206 F CB 1.793 40.693 39.000 -0.166 0.000 1.275 206 F HN 0.405 nan 8.300 nan 0.000 0.488 207 F N 2.360 121.469 119.950 -1.402 0.000 2.259 207 F HA 0.007 4.583 4.527 0.081 0.000 0.298 207 F C 0.781 176.223 175.800 -0.597 0.000 1.088 207 F CA 0.871 58.253 58.000 -1.031 0.000 1.358 207 F CB -0.203 37.824 39.000 -1.620 0.000 1.040 207 F HN 0.158 nan 8.300 nan 0.000 0.505 208 I N -3.120 117.319 120.570 -0.218 0.000 3.067 208 I HA 0.375 4.594 4.170 0.082 0.000 0.312 208 I C 0.494 176.747 176.117 0.227 0.000 1.073 208 I CA -0.821 60.529 61.300 0.084 0.000 1.016 208 I CB 1.781 39.899 38.000 0.197 0.000 1.227 208 I HN -0.134 nan 8.210 nan 0.000 0.456 209 Q N 0.137 120.075 119.800 0.230 0.000 2.324 209 Q HA 0.143 4.532 4.340 0.082 0.000 0.207 209 Q C -0.296 175.874 176.000 0.284 0.000 0.928 209 Q CA 0.535 56.517 55.803 0.297 0.000 0.890 209 Q CB 0.527 29.496 28.738 0.385 0.000 1.001 209 Q HN 0.650 nan 8.270 nan 0.000 0.517 210 D N -1.078 119.460 120.400 0.229 0.000 2.362 210 D HA 0.306 4.995 4.640 0.082 0.000 0.247 210 D C 0.065 176.491 176.300 0.209 0.000 1.050 210 D CA -0.171 53.936 54.000 0.178 0.000 0.839 210 D CB 1.880 42.757 40.800 0.129 0.000 1.283 210 D HN 0.065 nan 8.370 nan 0.000 0.477 211 A N 3.412 126.328 122.820 0.160 0.000 2.024 211 A HA -0.249 4.120 4.320 0.082 0.000 0.220 211 A C 1.812 179.517 177.584 0.200 0.000 1.164 211 A CA 1.726 53.852 52.037 0.149 0.000 0.643 211 A CB -0.782 18.252 19.000 0.056 0.000 0.806 211 A HN 0.820 nan 8.150 nan 0.000 0.451 212 H N 0.031 119.156 119.070 0.093 0.000 2.460 212 H HA -0.038 4.565 4.556 0.079 0.000 0.297 212 H C 1.532 176.932 175.328 0.121 0.000 1.103 212 H CA 1.945 58.041 56.048 0.079 0.000 1.292 212 H CB 0.040 29.825 29.762 0.038 0.000 1.376 212 H HN 0.420 nan 8.280 nan 0.000 0.531 213 K N -0.679 119.830 120.400 0.182 0.000 2.404 213 K HA -0.027 4.342 4.320 0.082 0.000 0.194 213 K C 1.361 178.084 176.600 0.205 0.000 1.023 213 K CA -0.059 56.329 56.287 0.169 0.000 1.094 213 K CB 0.074 32.730 32.500 0.259 0.000 0.841 213 K HN 0.279 nan 8.250 nan 0.000 0.523 214 F N 3.005 123.002 119.950 0.078 0.000 2.091 214 F HA -0.171 4.405 4.527 0.082 0.000 0.299 214 F C -1.005 174.792 175.800 -0.004 0.000 1.103 214 F CA 1.518 59.585 58.000 0.112 0.000 1.228 214 F CB -0.472 38.580 39.000 0.086 0.000 0.984 214 F HN 0.029 nan 8.300 nan 0.000 0.477 215 P HA -0.144 nan 4.420 nan 0.000 0.217 215 P C 1.015 177.982 177.300 -0.556 0.000 1.150 215 P CA 1.794 64.632 63.100 -0.438 0.000 0.832 215 P CB -0.084 31.387 31.700 -0.382 0.000 0.787 216 D N -1.161 119.062 120.400 -0.295 0.000 2.078 216 D HA -0.163 4.526 4.640 0.082 0.000 0.193 216 D C 1.848 177.854 176.300 -0.491 0.000 0.990 216 D CA 1.058 54.927 54.000 -0.219 0.000 0.827 216 D CB -0.964 39.879 40.800 0.072 0.000 0.975 216 D HN 0.138 nan 8.370 nan 0.000 0.451 217 F N 1.944 121.463 119.950 -0.718 0.000 2.069 217 F HA -0.260 4.315 4.527 0.081 0.000 0.298 217 F C 2.321 177.726 175.800 -0.659 0.000 1.113 217 F CA 1.304 58.694 58.000 -1.017 0.000 1.214 217 F CB -0.229 38.407 39.000 -0.606 0.000 0.978 217 F HN -0.238 nan 8.300 nan 0.000 0.474 218 V N 0.230 119.718 119.914 -0.711 0.000 2.407 218 V HA -0.347 3.822 4.120 0.082 0.000 0.248 218 V C 2.249 178.115 176.094 -0.381 0.000 1.055 218 V CA 2.449 64.366 62.300 -0.637 0.000 1.049 218 V CB -1.099 30.362 31.823 -0.605 0.000 0.662 218 V HN 0.492 nan 8.190 nan 0.000 0.455 219 H N -0.217 118.615 119.070 -0.396 0.000 2.387 219 H HA -0.115 4.490 4.556 0.082 0.000 0.299 219 H C 2.350 177.524 175.328 -0.255 0.000 1.090 219 H CA 1.025 56.922 56.048 -0.251 0.000 1.332 219 H CB 0.015 29.679 29.762 -0.163 0.000 1.386 219 H HN 0.487 nan 8.280 nan 0.000 0.516 220 A N 0.459 123.104 122.820 -0.291 0.000 1.902 220 A HA -0.125 4.244 4.320 0.082 0.000 0.217 220 A C 2.500 179.941 177.584 -0.238 0.000 1.181 220 A CA 1.497 53.361 52.037 -0.290 0.000 0.623 220 A CB -0.738 17.953 19.000 -0.516 0.000 0.818 220 A HN 0.306 nan 8.150 nan 0.000 0.443 221 V N -0.215 119.433 119.914 -0.444 0.000 2.788 221 V HA 0.000 4.169 4.120 0.082 0.000 0.251 221 V C 0.930 177.007 176.094 -0.029 0.000 1.068 221 V CA 0.774 62.906 62.300 -0.280 0.000 1.090 221 V CB -0.467 31.000 31.823 -0.593 0.000 0.710 221 V HN 0.348 nan 8.190 nan 0.000 0.467 222 K N 1.032 121.373 120.400 -0.098 0.000 2.156 222 K HA 0.210 4.580 4.320 0.082 0.000 0.242 222 K C -2.282 174.279 176.600 -0.064 0.000 1.033 222 K CA -1.569 54.676 56.287 -0.070 0.000 0.878 222 K CB -0.516 31.933 32.500 -0.084 0.000 1.057 222 K HN 0.159 nan 8.250 nan 0.000 0.505 223 P HA -0.028 nan 4.420 nan 0.000 0.264 223 P C -0.590 176.657 177.300 -0.090 0.000 1.183 223 P CA 0.444 63.417 63.100 -0.212 0.000 0.763 223 P CB 0.298 31.882 31.700 -0.194 0.000 0.807 224 E N 5.657 125.851 120.200 -0.011 0.000 2.392 224 E HA -0.019 4.381 4.350 0.082 0.000 0.264 224 E C -1.200 175.472 176.600 0.119 0.000 1.024 224 E CA -1.268 55.231 56.400 0.164 0.000 0.903 224 E CB 0.101 30.030 29.700 0.381 0.000 0.963 224 E HN 0.430 nan 8.360 nan 0.000 0.432 225 P HA -0.228 nan 4.420 nan 0.000 0.220 225 P C 1.042 178.407 177.300 0.108 0.000 1.148 225 P CA 1.485 64.622 63.100 0.062 0.000 0.803 225 P CB 0.008 31.718 31.700 0.018 0.000 0.782 226 H N -0.802 118.300 119.070 0.054 0.000 2.307 226 H HA -0.081 4.524 4.556 0.082 0.000 0.303 226 H C 1.526 176.951 175.328 0.163 0.000 1.073 226 H CA 1.475 57.544 56.048 0.035 0.000 1.338 226 H CB -1.367 28.343 29.762 -0.085 0.000 1.389 226 H HN 0.305 nan 8.280 nan 0.000 0.503 227 W N 0.051 120.931 121.300 -0.700 0.000 2.870 227 W HA 0.702 5.411 4.660 0.081 0.000 0.358 227 W C 0.390 176.734 176.519 -0.291 0.000 1.043 227 W CA -1.233 55.867 57.345 -0.409 0.000 1.692 227 W CB -0.801 28.403 29.460 -0.426 0.000 1.100 227 W HN 0.457 nan 8.180 nan 0.000 0.557 228 A N 1.348 124.142 122.820 -0.044 0.000 2.578 228 A HA -0.124 4.246 4.320 0.082 0.000 0.298 228 A C -0.473 176.879 177.584 -0.386 0.000 1.472 228 A CA 1.410 53.345 52.037 -0.169 0.000 0.734 228 A CB -2.377 16.549 19.000 -0.123 0.000 1.091 228 A HN 0.483 nan 8.150 nan 0.000 0.426 229 I N 0.705 120.910 120.570 -0.609 0.000 2.722 229 I HA 0.535 4.754 4.170 0.082 0.000 0.295 229 I C -2.507 173.307 176.117 -0.506 0.000 1.161 229 I CA -2.287 58.550 61.300 -0.772 0.000 1.032 229 I CB 3.065 40.096 38.000 -1.616 0.000 1.244 229 I HN 0.239 nan 8.210 nan 0.000 0.421 230 P HA 0.313 nan 4.420 nan 0.000 0.289 230 P C -1.573 175.566 177.300 -0.268 0.000 1.293 230 P CA -0.816 62.066 63.100 -0.364 0.000 0.897 230 P CB 1.572 33.135 31.700 -0.229 0.000 1.166 231 Q N 0.599 120.289 119.800 -0.184 0.000 2.267 231 Q HA 0.482 4.872 4.340 0.082 0.000 0.255 231 Q C 1.045 177.014 176.000 -0.052 0.000 0.923 231 Q CA 0.908 56.641 55.803 -0.116 0.000 0.925 231 Q CB -0.322 28.358 28.738 -0.096 0.000 1.195 231 Q HN 0.814 nan 8.270 nan 0.000 0.417 232 G N 3.302 112.085 108.800 -0.030 0.000 2.249 232 G HA2 -0.295 3.714 3.960 0.082 0.000 0.273 232 G HA3 -0.295 3.714 3.960 0.082 0.000 0.273 232 G C -0.447 174.481 174.900 0.046 0.000 1.036 232 G CA 0.634 45.746 45.100 0.019 0.000 0.824 232 G HN 0.547 nan 8.290 nan 0.000 0.504 233 Q N -1.188 118.626 119.800 0.023 0.000 2.315 233 Q HA 0.553 4.943 4.340 0.082 0.000 0.273 233 Q C 0.717 176.749 176.000 0.053 0.000 1.053 233 Q CA -0.152 55.692 55.803 0.068 0.000 0.817 233 Q CB 1.810 30.625 28.738 0.129 0.000 1.326 233 Q HN 0.443 nan 8.270 nan 0.000 0.423 234 S N -0.582 115.058 115.700 -0.101 0.000 2.556 234 S HA 0.214 4.734 4.470 0.082 0.000 0.216 234 S C 0.894 175.454 174.600 -0.067 0.000 0.970 234 S CA -0.016 57.894 58.200 -0.484 0.000 0.912 234 S CB 0.395 62.748 63.200 -1.411 0.000 0.790 234 S HN 0.595 nan 8.310 nan 0.000 0.504 235 A N 2.434 125.404 122.820 0.248 0.000 3.026 235 A HA 0.518 4.888 4.320 0.082 0.000 0.272 235 A C 0.084 177.902 177.584 0.389 0.000 1.782 235 A CA -0.534 51.718 52.037 0.358 0.000 1.451 235 A CB -1.288 17.847 19.000 0.224 0.000 1.081 235 A HN 0.890 nan 8.150 nan 0.000 0.611 236 H N -3.469 115.794 119.070 0.322 0.000 3.037 236 H HA 0.466 5.071 4.556 0.082 0.000 0.336 236 H C -0.247 175.279 175.328 0.330 0.000 1.323 236 H CA -0.730 55.471 56.048 0.255 0.000 1.159 236 H CB 0.246 30.123 29.762 0.192 0.000 1.882 236 H HN 0.088 nan 8.280 nan 0.000 0.535 237 D N 0.438 121.006 120.400 0.279 0.000 2.133 237 D HA -0.234 4.456 4.640 0.082 0.000 0.192 237 D C 2.139 178.501 176.300 0.105 0.000 1.001 237 D CA 3.308 57.412 54.000 0.173 0.000 0.844 237 D CB -0.315 40.566 40.800 0.136 0.000 0.944 237 D HN 0.796 nan 8.370 nan 0.000 0.447 238 T N -1.687 112.924 114.554 0.095 0.000 2.788 238 T HA -0.209 4.190 4.350 0.082 0.000 0.268 238 T C 1.907 176.548 174.700 -0.098 0.000 1.044 238 T CA 0.781 62.901 62.100 0.034 0.000 1.139 238 T CB -0.742 68.194 68.868 0.114 0.000 0.867 238 T HN 0.184 nan 8.240 nan 0.000 0.454 239 F N 0.796 120.442 119.950 -0.506 0.000 2.075 239 F HA 0.061 4.636 4.527 0.081 0.000 0.297 239 F C 1.900 177.444 175.800 -0.427 0.000 1.113 239 F CA 0.907 58.545 58.000 -0.603 0.000 1.218 239 F CB -0.563 37.900 39.000 -0.896 0.000 0.984 239 F HN 0.146 nan 8.300 nan 0.000 0.472 240 W N 0.636 121.891 121.300 -0.074 0.000 2.425 240 W HA -0.105 4.606 4.660 0.084 0.000 0.277 240 W C 2.313 178.761 176.519 -0.118 0.000 1.231 240 W CA 1.090 58.377 57.345 -0.096 0.000 1.248 240 W CB -0.667 28.812 29.460 0.031 0.000 1.117 240 W HN 0.093 nan 8.180 nan 0.000 0.568 241 D N -0.604 119.839 120.400 0.072 0.000 2.084 241 D HA -0.296 4.393 4.640 0.082 0.000 0.194 241 D C 1.904 178.207 176.300 0.005 0.000 0.990 241 D CA 1.525 55.549 54.000 0.040 0.000 0.826 241 D CB -0.611 40.221 40.800 0.053 0.000 0.971 241 D HN 0.195 nan 8.370 nan 0.000 0.453 242 Y N 0.379 120.578 120.300 -0.169 0.000 2.128 242 Y HA -0.196 4.403 4.550 0.082 0.000 0.284 242 Y C 2.267 178.030 175.900 -0.228 0.000 1.154 242 Y CA 1.530 59.515 58.100 -0.191 0.000 1.149 242 Y CB -0.384 37.928 38.460 -0.247 0.000 0.976 242 Y HN -0.101 nan 8.280 nan 0.000 0.505 243 V N 0.113 119.900 119.914 -0.212 0.000 2.332 243 V HA -0.334 3.835 4.120 0.082 0.000 0.248 243 V C 2.593 178.618 176.094 -0.116 0.000 1.055 243 V CA 2.202 64.358 62.300 -0.241 0.000 1.038 243 V CB -1.144 30.427 31.823 -0.419 0.000 0.651 243 V HN 0.673 nan 8.190 nan 0.000 0.450 244 S N -0.291 115.388 115.700 -0.034 0.000 2.423 244 S HA -0.063 4.456 4.470 0.082 0.000 0.231 244 S C 1.707 176.268 174.600 -0.065 0.000 1.014 244 S CA 1.353 59.558 58.200 0.008 0.000 0.965 244 S CB -0.424 62.810 63.200 0.057 0.000 0.785 244 S HN 0.559 nan 8.310 nan 0.000 0.495 245 L N -0.057 121.079 121.223 -0.146 0.000 2.585 245 L HA 0.321 4.710 4.340 0.082 0.000 0.226 245 L C 0.520 177.213 176.870 -0.295 0.000 1.113 245 L CA 0.125 54.854 54.840 -0.185 0.000 0.876 245 L CB 0.057 42.014 42.059 -0.169 0.000 1.072 245 L HN 0.239 nan 8.230 nan 0.000 0.468 246 Q N 0.445 120.017 119.800 -0.380 0.000 2.932 246 Q HA 0.231 4.621 4.340 0.082 0.000 0.248 246 Q C -1.913 173.847 176.000 -0.400 0.000 0.982 246 Q CA -1.489 54.040 55.803 -0.456 0.000 0.730 246 Q CB 1.529 29.866 28.738 -0.667 0.000 1.249 246 Q HN -0.005 nan 8.270 nan 0.000 0.476 247 P HA -0.226 nan 4.420 nan 0.000 0.223 247 P C 0.957 177.933 177.300 -0.540 0.000 1.144 247 P CA 1.144 63.964 63.100 -0.468 0.000 0.783 247 P CB 0.285 31.681 31.700 -0.507 0.000 0.771 248 E N 0.775 120.536 120.200 -0.733 0.000 2.209 248 E HA -0.188 4.211 4.350 0.082 0.000 0.196 248 E C 1.564 178.109 176.600 -0.092 0.000 0.993 248 E CA 1.923 58.170 56.400 -0.255 0.000 0.819 248 E CB -1.347 28.277 29.700 -0.126 0.000 0.745 248 E HN 0.293 nan 8.360 nan 0.000 0.477 249 T N -0.467 114.027 114.554 -0.101 0.000 3.035 249 T HA -0.015 4.385 4.350 0.082 0.000 0.268 249 T C 1.981 176.729 174.700 0.080 0.000 1.109 249 T CA 0.594 62.695 62.100 0.001 0.000 1.119 249 T CB -0.380 68.506 68.868 0.030 0.000 0.900 249 T HN 0.156 nan 8.240 nan 0.000 0.503 250 L N 0.122 121.401 121.223 0.093 0.000 2.079 250 L HA -0.132 4.257 4.340 0.082 0.000 0.210 250 L C 2.861 179.890 176.870 0.266 0.000 1.081 250 L CA 1.998 56.967 54.840 0.214 0.000 0.752 250 L CB -0.826 41.370 42.059 0.228 0.000 0.896 250 L HN 0.485 nan 8.230 nan 0.000 0.433 251 H N 0.025 119.136 119.070 0.069 0.000 2.293 251 H HA -0.211 4.394 4.556 0.082 0.000 0.300 251 H C 2.176 177.495 175.328 -0.015 0.000 1.082 251 H CA 1.844 57.930 56.048 0.063 0.000 1.308 251 H CB 0.191 29.955 29.762 0.004 0.000 1.375 251 H HN 0.363 nan 8.280 nan 0.000 0.495 252 N N -0.118 118.401 118.700 -0.301 0.000 2.309 252 N HA -0.123 4.667 4.740 0.082 0.000 0.182 252 N C 1.927 177.237 175.510 -0.333 0.000 1.018 252 N CA 0.666 53.309 53.050 -0.679 0.000 0.876 252 N CB 0.292 37.908 38.487 -1.452 0.000 0.972 252 N HN 0.127 nan 8.380 nan 0.000 0.434 253 V N 1.673 121.619 119.914 0.052 0.000 2.343 253 V HA -0.259 3.910 4.120 0.082 0.000 0.247 253 V C 2.511 178.732 176.094 0.212 0.000 1.051 253 V CA 1.259 63.745 62.300 0.308 0.000 1.036 253 V CB -0.366 31.695 31.823 0.397 0.000 0.654 253 V HN 0.390 nan 8.190 nan 0.000 0.451 254 M N -1.488 118.268 119.600 0.261 0.000 2.082 254 M HA -0.230 4.299 4.480 0.082 0.000 0.258 254 M C 2.088 178.374 176.300 -0.022 0.000 1.069 254 M CA 1.989 57.438 55.300 0.248 0.000 1.102 254 M CB -1.317 31.459 32.600 0.294 0.000 1.336 254 M HN 0.468 nan 8.290 nan 0.000 0.404 255 W N 0.469 121.487 121.300 -0.470 0.000 2.335 255 W HA -0.124 4.587 4.660 0.084 0.000 0.311 255 W C 2.833 179.279 176.519 -0.121 0.000 1.213 255 W CA 1.966 59.027 57.345 -0.474 0.000 1.274 255 W CB -1.089 28.023 29.460 -0.580 0.000 1.148 255 W HN 0.314 nan 8.180 nan 0.000 0.498 256 A N -0.524 122.380 122.820 0.139 0.000 1.902 256 A HA -0.214 4.155 4.320 0.082 0.000 0.217 256 A C 1.960 179.602 177.584 0.096 0.000 1.181 256 A CA 1.974 54.100 52.037 0.149 0.000 0.623 256 A CB -0.692 18.436 19.000 0.214 0.000 0.818 256 A HN 0.115 nan 8.150 nan 0.000 0.443 257 M N 0.815 120.427 119.600 0.019 0.000 2.394 257 M HA -0.010 4.519 4.480 0.082 0.000 0.264 257 M C 1.543 177.883 176.300 0.067 0.000 1.073 257 M CA 0.953 56.205 55.300 -0.079 0.000 1.111 257 M CB -1.550 30.759 32.600 -0.485 0.000 1.401 257 M HN 0.565 nan 8.290 nan 0.000 0.448 258 S N 0.370 116.170 115.700 0.167 0.000 2.626 258 S HA 0.064 4.583 4.470 0.082 0.000 0.257 258 S C 0.739 175.474 174.600 0.225 0.000 1.288 258 S CA -0.425 57.917 58.200 0.237 0.000 0.980 258 S CB 0.821 64.209 63.200 0.313 0.000 0.975 258 S HN 0.194 nan 8.310 nan 0.000 0.577 259 D N 0.144 120.697 120.400 0.256 0.000 2.378 259 D HA 0.025 4.714 4.640 0.082 0.000 0.222 259 D C 1.854 178.307 176.300 0.254 0.000 0.980 259 D CA 0.330 54.502 54.000 0.287 0.000 0.907 259 D CB -0.151 40.891 40.800 0.403 0.000 0.899 259 D HN 0.368 nan 8.370 nan 0.000 0.527 260 R N 0.205 120.847 120.500 0.237 0.000 2.120 260 R HA -0.043 4.346 4.340 0.082 0.000 0.234 260 R C 2.119 178.578 176.300 0.266 0.000 1.123 260 R CA 0.966 57.227 56.100 0.270 0.000 0.975 260 R CB -0.862 29.658 30.300 0.365 0.000 0.866 260 R HN 0.194 nan 8.270 nan 0.000 0.446 261 G N 1.378 110.323 108.800 0.242 0.000 2.559 261 G HA2 -0.075 3.934 3.960 0.082 0.000 0.216 261 G HA3 -0.075 3.934 3.960 0.082 0.000 0.216 261 G C 1.037 176.085 174.900 0.246 0.000 1.126 261 G CA 0.286 45.522 45.100 0.226 0.000 0.778 261 G HN 0.432 nan 8.290 nan 0.000 0.543 262 I N -2.027 118.698 120.570 0.258 0.000 2.871 262 I HA 0.360 4.580 4.170 0.082 0.000 0.284 262 I C -2.849 173.427 176.117 0.265 0.000 1.390 262 I CA -2.638 58.822 61.300 0.267 0.000 0.958 262 I CB 1.857 40.017 38.000 0.267 0.000 1.618 262 I HN -0.254 nan 8.210 nan 0.000 0.595 263 P HA 0.065 nan 4.420 nan 0.000 0.269 263 P C 0.413 177.862 177.300 0.249 0.000 1.215 263 P CA -0.142 63.071 63.100 0.188 0.000 0.780 263 P CB 1.366 33.113 31.700 0.078 0.000 0.898 264 R N 1.540 122.168 120.500 0.214 0.000 2.119 264 R HA 0.069 4.458 4.340 0.082 0.000 0.222 264 R C 0.546 177.017 176.300 0.286 0.000 1.088 264 R CA 1.251 57.532 56.100 0.301 0.000 0.984 264 R CB -0.333 30.120 30.300 0.256 0.000 0.884 264 R HN 0.532 nan 8.270 nan 0.000 0.447 265 S N -2.694 112.970 115.700 -0.060 0.000 2.588 265 S HA 0.257 4.776 4.470 0.082 0.000 0.269 265 S C -0.478 173.817 174.600 -0.508 0.000 1.157 265 S CA -0.868 57.135 58.200 -0.328 0.000 0.824 265 S CB 0.306 63.434 63.200 -0.120 0.000 1.126 265 S HN 0.107 nan 8.310 nan 0.000 0.464 266 Y N 1.795 121.737 120.300 -0.598 0.000 2.421 266 Y HA 0.140 4.740 4.550 0.083 0.000 0.292 266 Y C 2.337 177.871 175.900 -0.609 0.000 1.136 266 Y CA 0.892 58.491 58.100 -0.836 0.000 1.255 266 Y CB -0.263 37.328 38.460 -1.447 0.000 0.991 266 Y HN 0.551 nan 8.280 nan 0.000 0.552 267 R N -0.615 119.751 120.500 -0.223 0.000 2.189 267 R HA -0.043 4.346 4.340 0.082 0.000 0.218 267 R C 1.110 177.370 176.300 -0.067 0.000 1.074 267 R CA 1.522 57.550 56.100 -0.122 0.000 0.991 267 R CB -0.325 29.901 30.300 -0.124 0.000 0.883 267 R HN 0.290 nan 8.270 nan 0.000 0.457 268 T N -1.579 112.950 114.554 -0.043 0.000 3.268 268 T HA 0.365 4.764 4.350 0.082 0.000 0.258 268 T C 0.156 174.895 174.700 0.064 0.000 0.966 268 T CA -0.669 61.435 62.100 0.008 0.000 0.952 268 T CB -0.124 68.737 68.868 -0.012 0.000 1.132 268 T HN 0.066 nan 8.240 nan 0.000 0.536 269 M N -1.219 118.460 119.600 0.131 0.000 2.619 269 M HA 0.727 5.256 4.480 0.082 0.000 0.297 269 M C -1.156 175.322 176.300 0.298 0.000 1.229 269 M CA -0.899 54.520 55.300 0.199 0.000 0.860 269 M CB 2.154 34.867 32.600 0.188 0.000 1.741 269 M HN -0.135 nan 8.290 nan 0.000 0.462 270 E N 0.389 120.764 120.200 0.292 0.000 2.345 270 E HA 0.665 5.064 4.350 0.082 0.000 0.259 270 E C -0.282 176.409 176.600 0.151 0.000 1.117 270 E CA -0.523 55.989 56.400 0.187 0.000 0.913 270 E CB 1.602 31.355 29.700 0.087 0.000 1.057 270 E HN 0.857 nan 8.360 nan 0.000 0.432 271 G N 0.733 109.449 108.800 -0.139 0.000 2.571 271 G HA2 0.623 4.632 3.960 0.082 0.000 0.304 271 G HA3 0.623 4.632 3.960 0.082 0.000 0.304 271 G C -1.523 173.016 174.900 -0.602 0.000 1.314 271 G CA -0.470 44.549 45.100 -0.136 0.000 0.975 271 G HN 0.279 nan 8.290 nan 0.000 0.485 272 F N -0.092 119.809 119.950 -0.081 0.000 2.608 272 F HA 0.492 5.068 4.527 0.081 0.000 0.309 272 F C 1.087 176.811 175.800 -0.128 0.000 1.103 272 F CA -0.514 57.367 58.000 -0.199 0.000 0.954 272 F CB 2.579 41.400 39.000 -0.298 0.000 1.267 272 F HN 0.610 nan 8.300 nan 0.000 0.444 273 G N 1.087 109.965 108.800 0.129 0.000 2.572 273 G HA2 0.090 4.099 3.960 0.082 0.000 0.216 273 G HA3 0.090 4.099 3.960 0.082 0.000 0.216 273 G C 1.238 176.203 174.900 0.109 0.000 1.133 273 G CA 0.915 46.150 45.100 0.224 0.000 0.791 273 G HN 0.808 nan 8.290 nan 0.000 0.538 274 I N -1.098 119.460 120.570 -0.019 0.000 4.624 274 I HA -0.324 3.896 4.170 0.082 0.000 0.049 274 I C 0.559 176.554 176.117 -0.203 0.000 0.621 274 I CA 1.549 62.714 61.300 -0.226 0.000 0.836 274 I CB -1.223 36.538 38.000 -0.397 0.000 0.765 274 I HN 0.272 nan 8.210 nan 0.000 0.159 275 H N 2.225 121.312 119.070 0.028 0.000 2.771 275 H HA 0.220 4.826 4.556 0.084 0.000 0.364 275 H C 0.117 175.379 175.328 -0.109 0.000 1.133 275 H CA 0.569 56.537 56.048 -0.133 0.000 1.423 275 H CB 0.223 29.738 29.762 -0.412 0.000 1.425 275 H HN 0.197 nan 8.280 nan 0.000 0.606 276 T N 3.654 118.179 114.554 -0.050 0.000 2.794 276 T HA 0.253 4.652 4.350 0.082 0.000 0.296 276 T C 0.271 174.915 174.700 -0.094 0.000 0.949 276 T CA 0.002 62.068 62.100 -0.056 0.000 1.101 276 T CB -0.117 68.671 68.868 -0.133 0.000 0.905 276 T HN 0.248 nan 8.240 nan 0.000 0.516 277 F N 1.279 121.195 119.950 -0.056 0.000 2.629 277 F HA 0.675 5.250 4.527 0.080 0.000 0.386 277 F C 1.012 176.784 175.800 -0.048 0.000 1.135 277 F CA -1.345 56.652 58.000 -0.005 0.000 1.116 277 F CB 1.368 40.354 39.000 -0.023 0.000 1.426 277 F HN 0.184 nan 8.300 nan 0.000 0.501 278 R N 0.395 120.970 120.500 0.126 0.000 2.750 278 R HA 0.648 5.037 4.340 0.082 0.000 0.281 278 R C -1.683 174.509 176.300 -0.180 0.000 0.972 278 R CA -0.888 55.149 56.100 -0.106 0.000 0.912 278 R CB 2.077 32.252 30.300 -0.208 0.000 1.187 278 R HN 0.424 nan 8.270 nan 0.000 0.464 279 L N 3.468 124.532 121.223 -0.264 0.000 2.317 279 L HA 0.540 4.929 4.340 0.082 0.000 0.281 279 L C -0.624 176.090 176.870 -0.260 0.000 1.024 279 L CA -0.909 53.782 54.840 -0.249 0.000 0.810 279 L CB 1.483 43.398 42.059 -0.240 0.000 1.240 279 L HN 0.380 nan 8.230 nan 0.000 0.427 280 I N 3.087 123.527 120.570 -0.216 0.000 2.418 280 I HA 0.262 4.481 4.170 0.082 0.000 0.287 280 I C -0.223 175.805 176.117 -0.149 0.000 1.008 280 I CA -0.701 60.473 61.300 -0.211 0.000 1.104 280 I CB 1.413 39.296 38.000 -0.196 0.000 1.264 280 I HN 0.618 nan 8.210 nan 0.000 0.438 281 N N 4.992 123.616 118.700 -0.127 0.000 2.448 281 N HA 0.371 5.161 4.740 0.082 0.000 0.274 281 N C 0.853 176.320 175.510 -0.072 0.000 1.239 281 N CA -0.343 52.653 53.050 -0.090 0.000 0.982 281 N CB 0.617 39.059 38.487 -0.075 0.000 1.199 281 N HN 0.513 nan 8.380 nan 0.000 0.576 282 A N -0.569 122.219 122.820 -0.055 0.000 2.019 282 A HA -0.110 4.260 4.320 0.082 0.000 0.219 282 A C 1.512 179.074 177.584 -0.036 0.000 1.164 282 A CA 1.205 53.216 52.037 -0.043 0.000 0.644 282 A CB -0.798 18.183 19.000 -0.032 0.000 0.805 282 A HN 0.819 nan 8.150 nan 0.000 0.449 283 E N -1.550 118.629 120.200 -0.034 0.000 2.489 283 E HA 0.288 4.688 4.350 0.082 0.000 0.193 283 E C 1.093 177.682 176.600 -0.019 0.000 1.057 283 E CA 0.367 56.752 56.400 -0.025 0.000 0.866 283 E CB -0.043 29.644 29.700 -0.022 0.000 0.916 283 E HN 0.705 nan 8.360 nan 0.000 0.500 284 G N 2.110 110.894 108.800 -0.026 0.000 2.157 284 G HA2 -0.343 3.666 3.960 0.082 0.000 0.248 284 G HA3 -0.343 3.666 3.960 0.082 0.000 0.248 284 G C 0.248 175.155 174.900 0.011 0.000 0.979 284 G CA 0.260 45.363 45.100 0.004 0.000 0.650 284 G HN 0.246 nan 8.290 nan 0.000 0.529 285 K N 0.818 121.187 120.400 -0.051 0.000 2.322 285 K HA 0.657 5.027 4.320 0.082 0.000 0.283 285 K C 0.542 176.997 176.600 -0.242 0.000 1.042 285 K CA 0.175 56.403 56.287 -0.097 0.000 0.958 285 K CB 0.581 33.031 32.500 -0.084 0.000 0.984 285 K HN 0.574 nan 8.250 nan 0.000 0.473 286 A N 3.362 125.927 122.820 -0.426 0.000 2.301 286 A HA 0.431 4.800 4.320 0.082 0.000 0.312 286 A C -0.788 176.472 177.584 -0.540 0.000 1.182 286 A CA -0.502 51.124 52.037 -0.685 0.000 0.826 286 A CB 1.182 19.345 19.000 -1.395 0.000 1.134 286 A HN 0.720 nan 8.150 nan 0.000 0.501 287 T N 2.418 116.688 114.554 -0.473 0.000 2.848 287 T HA 0.522 4.921 4.350 0.082 0.000 0.285 287 T C -0.671 173.804 174.700 -0.375 0.000 0.995 287 T CA -0.084 61.794 62.100 -0.369 0.000 0.970 287 T CB 0.377 69.124 68.868 -0.202 0.000 0.976 287 T HN 0.344 nan 8.240 nan 0.000 0.441 288 F N 2.189 122.053 119.950 -0.143 0.000 2.471 288 F HA 0.513 5.088 4.527 0.081 0.000 0.353 288 F C 0.599 176.291 175.800 -0.181 0.000 1.113 288 F CA -0.375 57.537 58.000 -0.146 0.000 1.262 288 F CB 0.636 39.572 39.000 -0.107 0.000 1.146 288 F HN 0.192 nan 8.300 nan 0.000 0.578 289 V N 4.612 124.494 119.914 -0.053 0.000 2.841 289 V HA 0.607 4.776 4.120 0.082 0.000 0.310 289 V C -1.025 174.863 176.094 -0.344 0.000 1.090 289 V CA -0.803 61.322 62.300 -0.293 0.000 0.930 289 V CB 2.172 33.600 31.823 -0.658 0.000 1.014 289 V HN 0.763 nan 8.190 nan 0.000 0.425 290 R N 4.715 125.058 120.500 -0.263 0.000 2.534 290 R HA 0.535 4.924 4.340 0.082 0.000 0.301 290 R C -1.625 174.609 176.300 -0.109 0.000 0.961 290 R CA -0.445 55.549 56.100 -0.176 0.000 0.871 290 R CB 1.940 32.256 30.300 0.026 0.000 1.170 290 R HN 0.602 nan 8.270 nan 0.000 0.446 291 F N 2.438 122.451 119.950 0.105 0.000 2.396 291 F HA 0.333 4.909 4.527 0.081 0.000 0.343 291 F C 1.067 176.845 175.800 -0.037 0.000 1.104 291 F CA -0.016 58.015 58.000 0.051 0.000 1.161 291 F CB 0.760 39.674 39.000 -0.143 0.000 1.146 291 F HN 0.214 nan 8.300 nan 0.000 0.522 292 H N 0.943 120.022 119.070 0.014 0.000 2.690 292 H HA 0.270 4.875 4.556 0.083 0.000 0.368 292 H C -1.532 173.573 175.328 -0.372 0.000 1.150 292 H CA -1.005 54.937 56.048 -0.178 0.000 1.174 292 H CB 1.979 31.722 29.762 -0.032 0.000 1.684 292 H HN 0.667 nan 8.280 nan 0.000 0.538 293 W N 2.324 123.526 121.300 -0.164 0.000 2.538 293 W HA 0.298 5.006 4.660 0.081 0.000 0.322 293 W C -0.154 176.402 176.519 0.061 0.000 1.028 293 W CA -0.771 56.531 57.345 -0.071 0.000 1.228 293 W CB 1.666 30.932 29.460 -0.323 0.000 1.356 293 W HN 0.280 nan 8.180 nan 0.000 0.452 294 K N 5.862 126.529 120.400 0.445 0.000 2.240 294 K HA 0.379 4.749 4.320 0.082 0.000 0.271 294 K C -2.381 174.441 176.600 0.369 0.000 1.018 294 K CA -1.869 54.617 56.287 0.331 0.000 0.874 294 K CB 1.362 34.008 32.500 0.243 0.000 1.098 294 K HN 0.039 nan 8.250 nan 0.000 0.458 295 P HA 0.048 nan 4.420 nan 0.000 0.276 295 P C 0.302 177.606 177.300 0.006 0.000 1.264 295 P CA -0.063 63.099 63.100 0.104 0.000 0.769 295 P CB 0.699 32.480 31.700 0.135 0.000 0.840 296 L N 2.521 123.691 121.223 -0.088 0.000 2.551 296 L HA -0.033 4.356 4.340 0.082 0.000 0.228 296 L C 2.076 178.925 176.870 -0.035 0.000 1.153 296 L CA 0.855 55.681 54.840 -0.023 0.000 0.851 296 L CB -0.550 41.505 42.059 -0.007 0.000 0.959 296 L HN 0.344 nan 8.230 nan 0.000 0.451 297 A N -0.074 122.703 122.820 -0.073 0.000 2.251 297 A HA 0.448 4.817 4.320 0.082 0.000 0.209 297 A C 1.250 178.830 177.584 -0.005 0.000 1.187 297 A CA 0.608 52.618 52.037 -0.045 0.000 0.823 297 A CB -0.179 18.776 19.000 -0.075 0.000 0.846 297 A HN 0.440 nan 8.150 nan 0.000 0.486 298 G N -0.537 108.273 108.800 0.017 0.000 2.712 298 G HA2 -0.124 3.886 3.960 0.082 0.000 0.683 298 G HA3 -0.124 3.886 3.960 0.082 0.000 0.683 298 G C -0.677 174.252 174.900 0.049 0.000 1.320 298 G CA -0.469 44.660 45.100 0.048 0.000 0.847 298 G HN 0.441 nan 8.290 nan 0.000 0.553 299 K N 0.206 120.640 120.400 0.057 0.000 2.211 299 K HA 0.705 5.074 4.320 0.082 0.000 0.275 299 K C 0.191 176.784 176.600 -0.012 0.000 1.024 299 K CA 0.250 56.555 56.287 0.030 0.000 0.887 299 K CB 1.712 34.218 32.500 0.011 0.000 1.084 299 K HN 1.437 nan 8.250 nan 0.000 0.463 300 A N 1.880 124.682 122.820 -0.031 0.000 2.540 300 A HA 0.593 4.963 4.320 0.082 0.000 0.297 300 A C -1.122 176.506 177.584 0.074 0.000 1.056 300 A CA -0.690 51.277 52.037 -0.117 0.000 0.700 300 A CB 1.646 20.368 19.000 -0.463 0.000 1.280 300 A HN 0.515 nan 8.150 nan 0.000 0.398 301 S N 0.669 116.569 115.700 0.332 0.000 2.632 301 S HA 0.760 5.280 4.470 0.082 0.000 0.289 301 S C -0.071 174.852 174.600 0.539 0.000 1.115 301 S CA -0.629 57.811 58.200 0.401 0.000 0.889 301 S CB 1.228 64.651 63.200 0.373 0.000 1.116 301 S HN 0.653 nan 8.310 nan 0.000 0.486 302 L N 1.233 122.659 121.223 0.339 0.000 2.543 302 L HA 0.570 4.960 4.340 0.082 0.000 0.231 302 L C 0.012 176.997 176.870 0.192 0.000 1.194 302 L CA -0.805 54.153 54.840 0.196 0.000 0.823 302 L CB 0.180 42.268 42.059 0.048 0.000 1.374 302 L HN 0.506 nan 8.230 nan 0.000 0.507 303 V N -3.189 116.734 119.914 0.014 0.000 2.769 303 V HA 0.179 4.348 4.120 0.082 0.000 0.312 303 V C 0.689 176.733 176.094 -0.084 0.000 1.058 303 V CA -0.812 61.469 62.300 -0.030 0.000 0.952 303 V CB 1.615 33.391 31.823 -0.079 0.000 1.019 303 V HN 0.934 nan 8.190 nan 0.000 0.445 304 W N 2.230 123.400 121.300 -0.216 0.000 2.302 304 W HA -0.267 4.442 4.660 0.082 0.000 0.320 304 W C 1.821 178.184 176.519 -0.259 0.000 1.241 304 W CA 2.681 59.892 57.345 -0.223 0.000 1.264 304 W CB -0.146 29.169 29.460 -0.242 0.000 1.154 304 W HN 1.016 nan 8.180 nan 0.000 0.483 305 D N 0.141 120.269 120.400 -0.453 0.000 2.116 305 D HA -0.316 4.373 4.640 0.082 0.000 0.193 305 D C 2.140 178.067 176.300 -0.621 0.000 0.998 305 D CA 2.432 56.126 54.000 -0.510 0.000 0.836 305 D CB -0.607 40.146 40.800 -0.078 0.000 0.951 305 D HN 0.391 nan 8.370 nan 0.000 0.449 306 E N -0.409 119.283 120.200 -0.847 0.000 2.038 306 E HA -0.251 4.148 4.350 0.082 0.000 0.195 306 E C 2.043 178.288 176.600 -0.591 0.000 1.000 306 E CA 1.254 57.101 56.400 -0.922 0.000 0.803 306 E CB -0.290 28.792 29.700 -1.030 0.000 0.750 306 E HN 0.324 nan 8.360 nan 0.000 0.448 307 A N 1.074 123.576 122.820 -0.531 0.000 1.883 307 A HA -0.283 4.086 4.320 0.082 0.000 0.217 307 A C 2.198 179.451 177.584 -0.553 0.000 1.186 307 A CA 1.928 53.703 52.037 -0.437 0.000 0.624 307 A CB -0.806 18.053 19.000 -0.236 0.000 0.822 307 A HN 0.470 nan 8.150 nan 0.000 0.444 308 Q N -0.576 118.666 119.800 -0.930 0.000 2.050 308 Q HA -0.217 4.172 4.340 0.082 0.000 0.202 308 Q C 2.213 177.923 176.000 -0.482 0.000 0.980 308 Q CA 1.969 57.244 55.803 -0.879 0.000 0.840 308 Q CB -0.161 27.785 28.738 -1.320 0.000 0.898 308 Q HN 0.668 nan 8.270 nan 0.000 0.424 309 K N -0.015 120.121 120.400 -0.441 0.000 2.147 309 K HA -0.161 4.209 4.320 0.082 0.000 0.205 309 K C 2.052 178.508 176.600 -0.240 0.000 1.049 309 K CA 0.798 56.926 56.287 -0.265 0.000 0.936 309 K CB -0.068 32.321 32.500 -0.186 0.000 0.722 309 K HN 0.179 nan 8.250 nan 0.000 0.446 310 L N 1.371 122.409 121.223 -0.308 0.000 2.201 310 L HA -0.130 4.259 4.340 0.082 0.000 0.212 310 L C 2.168 178.902 176.870 -0.226 0.000 1.105 310 L CA 2.114 56.773 54.840 -0.303 0.000 0.775 310 L CB -0.900 40.888 42.059 -0.451 0.000 0.913 310 L HN 0.323 nan 8.230 nan 0.000 0.440 311 T N -4.285 110.141 114.554 -0.214 0.000 2.881 311 T HA -0.078 4.322 4.350 0.082 0.000 0.270 311 T C 1.859 176.497 174.700 -0.103 0.000 1.068 311 T CA 1.012 63.029 62.100 -0.139 0.000 1.131 311 T CB -1.012 67.787 68.868 -0.116 0.000 0.871 311 T HN 0.379 nan 8.240 nan 0.000 0.479 312 G N 1.180 109.912 108.800 -0.114 0.000 2.437 312 G HA2 -0.008 4.001 3.960 0.082 0.000 0.212 312 G HA3 -0.008 4.001 3.960 0.082 0.000 0.212 312 G C 1.913 176.770 174.900 -0.071 0.000 1.174 312 G CA -0.236 44.814 45.100 -0.083 0.000 0.811 312 G HN 0.300 nan 8.290 nan 0.000 0.537 313 R N 0.322 120.771 120.500 -0.085 0.000 2.090 313 R HA 0.028 4.417 4.340 0.082 0.000 0.228 313 R C -0.099 176.178 176.300 -0.040 0.000 1.110 313 R CA 0.910 56.973 56.100 -0.061 0.000 0.973 313 R CB -0.249 30.008 30.300 -0.072 0.000 0.869 313 R HN 0.343 nan 8.270 nan 0.000 0.440 314 D N -0.431 119.941 120.400 -0.047 0.000 2.411 314 D HA 0.145 4.834 4.640 0.082 0.000 0.239 314 D C -2.067 174.233 176.300 -0.001 0.000 1.307 314 D CA -1.860 52.142 54.000 0.004 0.000 0.930 314 D CB 1.328 42.179 40.800 0.085 0.000 1.395 314 D HN -0.143 nan 8.370 nan 0.000 0.536 315 P HA -0.029 nan 4.420 nan 0.000 0.225 315 P C 0.086 177.388 177.300 0.004 0.000 1.148 315 P CA 0.755 63.842 63.100 -0.022 0.000 0.779 315 P CB 0.476 32.161 31.700 -0.026 0.000 0.780 316 D N -1.452 118.960 120.400 0.019 0.000 2.427 316 D HA 0.067 4.756 4.640 0.082 0.000 0.224 316 D C 1.263 177.589 176.300 0.043 0.000 1.157 316 D CA -0.430 53.584 54.000 0.023 0.000 0.828 316 D CB -0.581 40.210 40.800 -0.016 0.000 0.974 316 D HN 0.124 nan 8.370 nan 0.000 0.498 317 F N 1.406 121.294 119.950 -0.104 0.000 2.091 317 F HA -0.271 4.305 4.527 0.082 0.000 0.299 317 F C 2.087 177.852 175.800 -0.059 0.000 1.103 317 F CA 1.924 59.855 58.000 -0.114 0.000 1.228 317 F CB 0.039 38.912 39.000 -0.212 0.000 0.984 317 F HN 0.114 nan 8.300 nan 0.000 0.477 318 H N -1.261 117.727 119.070 -0.136 0.000 2.363 318 H HA -0.084 4.521 4.556 0.082 0.000 0.301 318 H C 2.382 177.591 175.328 -0.198 0.000 1.074 318 H CA 0.919 56.740 56.048 -0.379 0.000 1.354 318 H CB -0.120 29.244 29.762 -0.663 0.000 1.397 318 H HN 0.180 nan 8.280 nan 0.000 0.516 319 R N 1.282 121.862 120.500 0.133 0.000 2.073 319 R HA -0.138 4.252 4.340 0.082 0.000 0.234 319 R C 2.439 178.833 176.300 0.155 0.000 1.134 319 R CA 1.408 57.642 56.100 0.223 0.000 0.952 319 R CB -0.043 30.373 30.300 0.194 0.000 0.850 319 R HN 0.194 nan 8.270 nan 0.000 0.433 320 R N 0.335 120.846 120.500 0.018 0.000 2.073 320 R HA -0.146 4.244 4.340 0.082 0.000 0.234 320 R C 2.206 178.496 176.300 -0.018 0.000 1.134 320 R CA 1.691 57.785 56.100 -0.011 0.000 0.952 320 R CB -0.279 29.974 30.300 -0.079 0.000 0.850 320 R HN 0.269 nan 8.270 nan 0.000 0.433 321 E N 0.775 120.848 120.200 -0.211 0.000 2.085 321 E HA -0.216 4.183 4.350 0.082 0.000 0.194 321 E C 2.013 178.580 176.600 -0.055 0.000 0.994 321 E CA 1.259 57.513 56.400 -0.243 0.000 0.801 321 E CB -0.125 29.250 29.700 -0.541 0.000 0.743 321 E HN 0.275 nan 8.360 nan 0.000 0.453 322 L N 0.848 122.084 121.223 0.022 0.000 1.994 322 L HA -0.154 4.236 4.340 0.082 0.000 0.208 322 L C 2.293 179.264 176.870 0.169 0.000 1.071 322 L CA 1.935 56.838 54.840 0.106 0.000 0.745 322 L CB -1.014 41.171 42.059 0.210 0.000 0.892 322 L HN 0.310 nan 8.230 nan 0.000 0.431 323 W N 1.012 122.346 121.300 0.056 0.000 2.335 323 W HA -0.242 4.467 4.660 0.081 0.000 0.311 323 W C 2.254 178.801 176.519 0.045 0.000 1.213 323 W CA 2.337 59.725 57.345 0.073 0.000 1.274 323 W CB -0.221 29.283 29.460 0.074 0.000 1.148 323 W HN 0.365 nan 8.180 nan 0.000 0.498 324 E N -0.145 120.229 120.200 0.290 0.000 2.204 324 E HA -0.131 4.268 4.350 0.082 0.000 0.194 324 E C 2.325 178.954 176.600 0.048 0.000 0.989 324 E CA 1.021 57.511 56.400 0.150 0.000 0.824 324 E CB -0.316 29.424 29.700 0.067 0.000 0.756 324 E HN 0.203 nan 8.360 nan 0.000 0.477 325 A N 1.208 124.055 122.820 0.046 0.000 1.898 325 A HA -0.155 4.214 4.320 0.082 0.000 0.216 325 A C 2.144 179.754 177.584 0.044 0.000 1.181 325 A CA 0.962 53.020 52.037 0.035 0.000 0.620 325 A CB -0.467 18.554 19.000 0.035 0.000 0.819 325 A HN 0.129 nan 8.150 nan 0.000 0.442 326 I N -0.390 120.224 120.570 0.074 0.000 2.252 326 I HA -0.230 3.990 4.170 0.082 0.000 0.245 326 I C 2.401 178.588 176.117 0.117 0.000 1.102 326 I CA 1.405 62.796 61.300 0.151 0.000 1.385 326 I CB -0.448 37.568 38.000 0.026 0.000 1.064 326 I HN 0.429 nan 8.210 nan 0.000 0.414 327 E N 0.932 121.147 120.200 0.024 0.000 2.204 327 E HA -0.160 4.240 4.350 0.082 0.000 0.194 327 E C 2.152 178.768 176.600 0.026 0.000 0.989 327 E CA 1.157 57.583 56.400 0.044 0.000 0.824 327 E CB -0.082 29.670 29.700 0.086 0.000 0.756 327 E HN 0.493 nan 8.360 nan 0.000 0.477 328 A N 0.205 123.015 122.820 -0.016 0.000 2.169 328 A HA 0.203 4.572 4.320 0.082 0.000 0.212 328 A C 1.803 179.323 177.584 -0.107 0.000 1.153 328 A CA 0.968 52.975 52.037 -0.050 0.000 0.756 328 A CB -0.127 18.824 19.000 -0.082 0.000 0.813 328 A HN 0.340 nan 8.150 nan 0.000 0.471 329 G N -0.590 108.056 108.800 -0.257 0.000 2.175 329 G HA2 -0.190 3.819 3.960 0.082 0.000 0.244 329 G HA3 -0.190 3.819 3.960 0.082 0.000 0.244 329 G C -0.173 174.207 174.900 -0.866 0.000 0.982 329 G CA 0.234 44.880 45.100 -0.757 0.000 0.641 329 G HN 0.434 nan 8.290 nan 0.000 0.527 330 D N 1.047 121.215 120.400 -0.386 0.000 2.994 330 D HA 0.273 4.963 4.640 0.082 0.000 0.240 330 D C 0.784 177.027 176.300 -0.095 0.000 1.195 330 D CA -0.217 53.664 54.000 -0.199 0.000 0.957 330 D CB -0.730 40.058 40.800 -0.020 0.000 1.105 330 D HN 0.449 nan 8.370 nan 0.000 0.477 331 F N 1.438 121.392 119.950 0.006 0.000 2.602 331 F HA 0.061 4.638 4.527 0.083 0.000 0.385 331 F C -1.394 174.380 175.800 -0.043 0.000 1.063 331 F CA -1.841 56.155 58.000 -0.007 0.000 1.233 331 F CB -0.077 38.930 39.000 0.011 0.000 1.067 331 F HN -0.098 nan 8.300 nan 0.000 0.564 332 P HA 0.034 nan 4.420 nan 0.000 0.263 332 P C -1.126 176.124 177.300 -0.084 0.000 1.195 332 P CA 0.280 63.368 63.100 -0.020 0.000 0.762 332 P CB 0.454 32.221 31.700 0.113 0.000 0.799 333 E N 2.564 122.578 120.200 -0.310 0.000 2.222 333 E HA 0.469 4.869 4.350 0.082 0.000 0.267 333 E C -1.043 175.264 176.600 -0.488 0.000 0.884 333 E CA -0.583 55.685 56.400 -0.220 0.000 0.764 333 E CB 1.499 31.165 29.700 -0.058 0.000 1.169 333 E HN 0.380 nan 8.360 nan 0.000 0.413 334 Y N 0.373 120.750 120.300 0.130 0.000 2.477 334 Y HA 0.249 4.849 4.550 0.083 0.000 0.347 334 Y C -0.255 175.886 175.900 0.402 0.000 0.981 334 Y CA -0.999 57.254 58.100 0.256 0.000 1.033 334 Y CB 2.094 40.677 38.460 0.205 0.000 1.245 334 Y HN 0.485 nan 8.280 nan 0.000 0.455 335 E N 2.983 123.518 120.200 0.559 0.000 2.109 335 E HA 0.363 4.762 4.350 0.082 0.000 0.278 335 E C -1.441 175.425 176.600 0.443 0.000 0.954 335 E CA -0.970 55.700 56.400 0.450 0.000 0.779 335 E CB 0.947 30.851 29.700 0.340 0.000 1.093 335 E HN 0.608 nan 8.360 nan 0.000 0.401 336 L N 4.477 125.896 121.223 0.326 0.000 2.455 336 L HA 0.419 4.808 4.340 0.082 0.000 0.272 336 L C 0.001 176.801 176.870 -0.117 0.000 1.174 336 L CA 0.849 55.590 54.840 -0.164 0.000 0.869 336 L CB 0.843 42.770 42.059 -0.221 0.000 1.130 336 L HN 0.602 nan 8.230 nan 0.000 0.474 337 G N 4.528 113.270 108.800 -0.097 0.000 2.612 337 G HA2 0.591 4.600 3.960 0.082 0.000 0.298 337 G HA3 0.591 4.600 3.960 0.082 0.000 0.298 337 G C -1.632 173.375 174.900 0.178 0.000 1.336 337 G CA -0.527 44.551 45.100 -0.037 0.000 0.953 337 G HN 0.458 nan 8.290 nan 0.000 0.482 338 F N 0.009 119.967 119.950 0.013 0.000 2.540 338 F HA 0.404 4.981 4.527 0.083 0.000 0.317 338 F C 0.251 176.035 175.800 -0.026 0.000 1.104 338 F CA -0.992 57.018 58.000 0.016 0.000 0.913 338 F CB 2.731 41.732 39.000 0.002 0.000 1.170 338 F HN 0.131 nan 8.300 nan 0.000 0.450 339 Q N 4.225 124.132 119.800 0.179 0.000 2.331 339 Q HA 0.486 4.876 4.340 0.082 0.000 0.257 339 Q C -1.103 174.939 176.000 0.070 0.000 0.957 339 Q CA -0.478 55.380 55.803 0.091 0.000 0.923 339 Q CB 2.038 30.837 28.738 0.103 0.000 1.212 339 Q HN 0.525 nan 8.270 nan 0.000 0.443 340 L N 4.441 125.713 121.223 0.083 0.000 2.307 340 L HA 0.593 4.982 4.340 0.082 0.000 0.284 340 L C -0.485 176.440 176.870 0.091 0.000 1.023 340 L CA -0.557 54.321 54.840 0.064 0.000 0.810 340 L CB 1.226 43.328 42.059 0.073 0.000 1.231 340 L HN 0.498 nan 8.230 nan 0.000 0.423 341 I N 4.162 124.802 120.570 0.116 0.000 2.447 341 I HA 0.353 4.572 4.170 0.082 0.000 0.287 341 I C -2.320 173.908 176.117 0.185 0.000 1.023 341 I CA -2.100 59.312 61.300 0.186 0.000 1.083 341 I CB 2.355 40.497 38.000 0.237 0.000 1.245 341 I HN 0.277 nan 8.210 nan 0.000 0.434 342 P HA 0.014 nan 4.420 nan 0.000 0.268 342 P C 0.645 178.015 177.300 0.116 0.000 1.208 342 P CA 0.025 63.163 63.100 0.064 0.000 0.777 342 P CB 0.887 32.619 31.700 0.052 0.000 0.875 343 E N 1.229 121.413 120.200 -0.025 0.000 2.118 343 E HA -0.267 4.132 4.350 0.082 0.000 0.195 343 E C 1.048 177.752 176.600 0.172 0.000 0.992 343 E CA 1.383 57.785 56.400 0.002 0.000 0.804 343 E CB -0.002 29.616 29.700 -0.136 0.000 0.741 343 E HN 0.412 nan 8.360 nan 0.000 0.458 344 E N 0.740 121.006 120.200 0.110 0.000 2.333 344 E HA -0.151 4.249 4.350 0.082 0.000 0.198 344 E C 0.828 177.500 176.600 0.120 0.000 1.007 344 E CA 1.042 57.510 56.400 0.114 0.000 0.845 344 E CB -0.084 29.657 29.700 0.069 0.000 0.766 344 E HN 0.281 nan 8.360 nan 0.000 0.507 345 D N 0.161 120.635 120.400 0.123 0.000 2.340 345 D HA -0.016 4.674 4.640 0.082 0.000 0.217 345 D C 1.292 177.636 176.300 0.073 0.000 1.081 345 D CA 0.082 54.125 54.000 0.072 0.000 0.842 345 D CB -0.004 40.839 40.800 0.072 0.000 0.934 345 D HN 0.325 nan 8.370 nan 0.000 0.511 346 E N -0.069 120.167 120.200 0.060 0.000 2.086 346 E HA -0.217 4.182 4.350 0.082 0.000 0.200 346 E C 0.464 176.814 176.600 -0.418 0.000 1.012 346 E CA 1.209 57.446 56.400 -0.272 0.000 0.812 346 E CB -0.006 29.415 29.700 -0.465 0.000 0.743 346 E HN 0.268 nan 8.360 nan 0.000 0.453 347 F N -0.383 119.565 119.950 -0.003 0.000 2.639 347 F HA 0.264 4.840 4.527 0.082 0.000 0.300 347 F C 1.317 177.051 175.800 -0.110 0.000 1.109 347 F CA -0.184 57.792 58.000 -0.040 0.000 1.335 347 F CB 0.556 39.543 39.000 -0.022 0.000 1.014 347 F HN -0.170 nan 8.300 nan 0.000 0.537 348 K N -0.021 120.319 120.400 -0.100 0.000 2.444 348 K HA 0.112 4.481 4.320 0.082 0.000 0.193 348 K C -0.109 176.145 176.600 -0.577 0.000 1.024 348 K CA 0.281 56.374 56.287 -0.323 0.000 1.077 348 K CB 0.140 32.397 32.500 -0.405 0.000 0.833 348 K HN 0.148 nan 8.250 nan 0.000 0.517 349 F N 0.922 120.715 119.950 -0.261 0.000 2.410 349 F HA 0.062 4.638 4.527 0.082 0.000 0.324 349 F C 1.330 176.936 175.800 -0.324 0.000 1.093 349 F CA -1.057 56.686 58.000 -0.429 0.000 1.028 349 F CB 0.566 38.911 39.000 -1.091 0.000 1.309 349 F HN -0.005 nan 8.300 nan 0.000 0.499 350 D N -0.632 119.766 120.400 -0.004 0.000 2.328 350 D HA 0.058 4.748 4.640 0.082 0.000 0.221 350 D C -0.491 175.904 176.300 0.159 0.000 1.072 350 D CA 0.129 54.183 54.000 0.091 0.000 0.850 350 D CB -0.845 40.040 40.800 0.142 0.000 0.922 350 D HN 0.234 nan 8.370 nan 0.000 0.516 351 F N -1.744 118.285 119.950 0.131 0.000 2.603 351 F HA 0.525 5.101 4.527 0.081 0.000 0.317 351 F C -0.292 175.489 175.800 -0.031 0.000 1.066 351 F CA -1.722 56.275 58.000 -0.004 0.000 0.941 351 F CB 0.992 39.949 39.000 -0.071 0.000 1.291 351 F HN -0.334 nan 8.300 nan 0.000 0.472 352 D N 1.829 122.239 120.400 0.018 0.000 2.304 352 D HA 0.190 4.879 4.640 0.082 0.000 0.250 352 D C 1.001 177.235 176.300 -0.110 0.000 1.107 352 D CA -0.045 53.901 54.000 -0.089 0.000 0.885 352 D CB 1.538 42.282 40.800 -0.092 0.000 1.192 352 D HN 0.764 nan 8.370 nan 0.000 0.436 353 L N 3.303 124.396 121.223 -0.216 0.000 2.191 353 L HA -0.134 4.255 4.340 0.082 0.000 0.212 353 L C 1.967 178.701 176.870 -0.226 0.000 1.103 353 L CA 0.742 55.438 54.840 -0.240 0.000 0.769 353 L CB -0.085 41.700 42.059 -0.457 0.000 0.908 353 L HN 0.452 nan 8.230 nan 0.000 0.438 354 L N -0.959 120.144 121.223 -0.201 0.000 2.591 354 L HA 0.060 4.449 4.340 0.082 0.000 0.228 354 L C 0.362 177.162 176.870 -0.118 0.000 1.133 354 L CA -0.146 54.642 54.840 -0.087 0.000 0.880 354 L CB -0.342 41.756 42.059 0.064 0.000 1.033 354 L HN 0.092 nan 8.230 nan 0.000 0.450 355 D N 2.070 122.174 120.400 -0.492 0.000 2.347 355 D HA 0.117 4.807 4.640 0.082 0.000 0.235 355 D C -1.547 174.543 176.300 -0.349 0.000 1.149 355 D CA -2.274 51.205 54.000 -0.870 0.000 0.850 355 D CB 1.563 41.590 40.800 -1.289 0.000 1.061 355 D HN -0.057 nan 8.370 nan 0.000 0.487 356 P HA -0.031 nan 4.420 nan 0.000 0.245 356 P C 0.774 177.994 177.300 -0.133 0.000 1.212 356 P CA 0.509 63.557 63.100 -0.086 0.000 0.774 356 P CB 0.007 31.754 31.700 0.078 0.000 0.999 357 T N -4.351 110.111 114.554 -0.154 0.000 3.107 357 T HA 0.156 4.555 4.350 0.082 0.000 0.249 357 T C 0.742 175.362 174.700 -0.133 0.000 1.096 357 T CA -0.069 61.947 62.100 -0.140 0.000 1.012 357 T CB -0.157 68.671 68.868 -0.067 0.000 0.977 357 T HN -0.133 nan 8.240 nan 0.000 0.527 358 K N 2.153 122.384 120.400 -0.282 0.000 2.244 358 K HA 0.572 4.941 4.320 0.082 0.000 0.260 358 K C -0.358 176.070 176.600 -0.287 0.000 0.951 358 K CA -0.848 55.156 56.287 -0.471 0.000 0.826 358 K CB 2.164 34.241 32.500 -0.704 0.000 1.108 358 K HN 0.289 nan 8.250 nan 0.000 0.433 359 L N -0.268 120.920 121.223 -0.058 0.000 2.387 359 L HA 0.656 5.045 4.340 0.082 0.000 0.266 359 L C -0.002 176.703 176.870 -0.276 0.000 1.059 359 L CA -0.506 54.248 54.840 -0.143 0.000 0.801 359 L CB 0.322 42.358 42.059 -0.040 0.000 1.223 359 L HN 0.441 nan 8.230 nan 0.000 0.456 360 I N 1.410 121.906 120.570 -0.123 0.000 2.330 360 I HA 0.367 4.587 4.170 0.082 0.000 0.286 360 I C -2.143 173.994 176.117 0.033 0.000 1.025 360 I CA -1.726 59.547 61.300 -0.045 0.000 1.197 360 I CB 1.141 39.134 38.000 -0.012 0.000 1.358 360 I HN 0.447 nan 8.210 nan 0.000 0.467 361 P HA 0.019 nan 4.420 nan 0.000 0.265 361 P C 0.349 177.716 177.300 0.111 0.000 1.193 361 P CA 0.107 63.252 63.100 0.076 0.000 0.765 361 P CB 0.605 32.339 31.700 0.057 0.000 0.823 362 E N 1.765 122.039 120.200 0.123 0.000 2.204 362 E HA -0.194 4.206 4.350 0.082 0.000 0.195 362 E C 1.353 178.007 176.600 0.091 0.000 0.990 362 E CA 0.795 57.256 56.400 0.103 0.000 0.821 362 E CB -0.034 29.730 29.700 0.107 0.000 0.750 362 E HN 0.516 nan 8.360 nan 0.000 0.477 363 E N 0.392 120.647 120.200 0.091 0.000 2.204 363 E HA -0.128 4.271 4.350 0.082 0.000 0.195 363 E C 2.022 178.686 176.600 0.107 0.000 0.990 363 E CA 0.712 57.162 56.400 0.084 0.000 0.821 363 E CB 0.104 29.847 29.700 0.071 0.000 0.750 363 E HN 0.372 nan 8.360 nan 0.000 0.477 364 L N -0.526 120.783 121.223 0.143 0.000 2.200 364 L HA 0.072 4.461 4.340 0.082 0.000 0.200 364 L C 0.630 177.620 176.870 0.200 0.000 1.072 364 L CA 0.425 55.388 54.840 0.206 0.000 0.787 364 L CB 0.449 42.705 42.059 0.328 0.000 0.957 364 L HN -0.211 nan 8.230 nan 0.000 0.459 365 V N 1.685 121.694 119.914 0.158 0.000 2.462 365 V HA 0.312 4.482 4.120 0.082 0.000 0.288 365 V C -2.362 173.780 176.094 0.080 0.000 1.020 365 V CA -1.417 60.962 62.300 0.130 0.000 0.857 365 V CB 1.661 33.557 31.823 0.122 0.000 1.013 365 V HN -0.022 nan 8.190 nan 0.000 0.431 366 P HA 0.183 nan 4.420 nan 0.000 0.272 366 P C -0.353 176.944 177.300 -0.006 0.000 1.223 366 P CA -0.030 63.089 63.100 0.032 0.000 0.784 366 P CB 1.342 33.065 31.700 0.039 0.000 0.923 367 V N 3.256 123.132 119.914 -0.063 0.000 2.427 367 V HA 0.086 4.255 4.120 0.082 0.000 0.268 367 V C 0.953 177.031 176.094 -0.027 0.000 1.046 367 V CA -0.006 62.219 62.300 -0.125 0.000 0.970 367 V CB 0.092 31.745 31.823 -0.282 0.000 1.001 367 V HN 0.569 nan 8.190 nan 0.000 0.476 368 Q N 5.592 125.399 119.800 0.012 0.000 2.286 368 Q HA 0.306 4.695 4.340 0.082 0.000 0.257 368 Q C -0.065 175.931 176.000 -0.006 0.000 0.941 368 Q CA -0.600 55.214 55.803 0.019 0.000 0.912 368 Q CB 0.695 29.457 28.738 0.040 0.000 1.192 368 Q HN 0.654 nan 8.270 nan 0.000 0.410 369 R N 2.557 123.079 120.500 0.037 0.000 2.442 369 R HA 0.094 4.483 4.340 0.082 0.000 0.291 369 R C 0.293 176.642 176.300 0.082 0.000 1.069 369 R CA -0.257 55.910 56.100 0.113 0.000 1.022 369 R CB 0.865 31.291 30.300 0.211 0.000 0.976 369 R HN 0.534 nan 8.270 nan 0.000 0.443 370 V N 1.212 121.075 119.914 -0.085 0.000 3.219 370 V HA 0.328 4.497 4.120 0.082 0.000 0.240 370 V C 0.749 176.596 176.094 -0.411 0.000 1.222 370 V CA 1.055 63.182 62.300 -0.289 0.000 1.181 370 V CB 1.032 32.405 31.823 -0.750 0.000 0.941 370 V HN 0.996 nan 8.190 nan 0.000 0.471 371 G N -0.334 108.104 108.800 -0.602 0.000 2.495 371 G HA2 0.513 4.522 3.960 0.082 0.000 0.294 371 G HA3 0.513 4.522 3.960 0.082 0.000 0.294 371 G C -1.845 172.673 174.900 -0.636 0.000 1.397 371 G CA -0.541 43.960 45.100 -0.999 0.000 0.790 371 G HN 0.042 nan 8.290 nan 0.000 0.486 372 K N -0.313 119.755 120.400 -0.553 0.000 2.378 372 K HA 0.715 5.084 4.320 0.082 0.000 0.252 372 K C -0.865 175.781 176.600 0.076 0.000 0.931 372 K CA -0.780 55.477 56.287 -0.050 0.000 0.794 372 K CB 1.999 34.518 32.500 0.032 0.000 1.181 372 K HN 0.578 nan 8.250 nan 0.000 0.425 373 M N 4.823 124.604 119.600 0.302 0.000 2.311 373 M HA 0.404 4.933 4.480 0.082 0.000 0.325 373 M C -1.767 174.532 176.300 -0.000 0.000 1.061 373 M CA -0.759 54.670 55.300 0.215 0.000 0.957 373 M CB 1.679 34.449 32.600 0.284 0.000 1.646 373 M HN 0.362 nan 8.290 nan 0.000 0.434 374 V N 5.763 125.518 119.914 -0.264 0.000 2.531 374 V HA 0.447 4.616 4.120 0.082 0.000 0.301 374 V C -1.016 174.953 176.094 -0.208 0.000 1.034 374 V CA -0.797 61.344 62.300 -0.266 0.000 0.865 374 V CB 1.801 33.334 31.823 -0.483 0.000 0.995 374 V HN 0.675 nan 8.190 nan 0.000 0.424 375 L N 5.911 127.097 121.223 -0.061 0.000 2.264 375 L HA 0.482 4.872 4.340 0.082 0.000 0.287 375 L C 0.687 177.475 176.870 -0.137 0.000 1.039 375 L CA 0.079 54.886 54.840 -0.055 0.000 0.829 375 L CB 0.973 43.049 42.059 0.028 0.000 1.211 375 L HN 0.847 nan 8.230 nan 0.000 0.427 376 N N 2.241 120.757 118.700 -0.307 0.000 2.200 376 N HA 0.174 4.963 4.740 0.082 0.000 0.224 376 N C 0.046 175.353 175.510 -0.339 0.000 1.179 376 N CA -0.249 52.344 53.050 -0.761 0.000 0.877 376 N CB 0.672 38.430 38.487 -1.216 0.000 1.072 376 N HN 0.376 nan 8.380 nan 0.000 0.519 377 R N 0.113 120.533 120.500 -0.133 0.000 2.536 377 R HA 0.278 4.667 4.340 0.082 0.000 0.269 377 R C -1.314 174.935 176.300 -0.084 0.000 1.113 377 R CA -0.563 55.480 56.100 -0.096 0.000 0.948 377 R CB 1.254 31.505 30.300 -0.082 0.000 1.237 377 R HN 0.069 nan 8.270 nan 0.000 0.441 378 N N 3.052 121.582 118.700 -0.285 0.000 2.424 378 N HA 0.306 5.096 4.740 0.082 0.000 0.257 378 N C -2.282 173.163 175.510 -0.109 0.000 1.250 378 N CA -1.211 51.537 53.050 -0.504 0.000 0.946 378 N CB 0.590 38.093 38.487 -1.640 0.000 1.175 378 N HN 0.314 nan 8.380 nan 0.000 0.477 379 P HA 0.124 nan 4.420 nan 0.000 0.274 379 P C 0.122 177.610 177.300 0.313 0.000 1.260 379 P CA -0.087 63.209 63.100 0.327 0.000 0.793 379 P CB 1.051 32.989 31.700 0.396 0.000 1.048 380 D N -1.185 119.372 120.400 0.262 0.000 2.269 380 D HA -0.016 4.674 4.640 0.082 0.000 0.220 380 D C 0.397 176.869 176.300 0.287 0.000 0.962 380 D CA 1.282 55.428 54.000 0.244 0.000 0.884 380 D CB 0.180 41.064 40.800 0.140 0.000 1.023 380 D HN 0.375 nan 8.370 nan 0.000 0.484 381 N N -0.017 118.840 118.700 0.262 0.000 2.448 381 N HA 0.008 4.797 4.740 0.082 0.000 0.279 381 N C 0.162 175.870 175.510 0.330 0.000 1.025 381 N CA -0.330 52.887 53.050 0.278 0.000 0.898 381 N CB 1.505 40.123 38.487 0.218 0.000 1.303 381 N HN -0.163 nan 8.380 nan 0.000 0.495 382 F N 4.393 124.488 119.950 0.241 0.000 2.065 382 F HA -0.223 4.354 4.527 0.083 0.000 0.298 382 F C 1.662 177.588 175.800 0.210 0.000 1.112 382 F CA 1.696 59.839 58.000 0.239 0.000 1.212 382 F CB -0.170 38.943 39.000 0.188 0.000 0.975 382 F HN 0.614 nan 8.300 nan 0.000 0.476 383 F N 0.717 120.884 119.950 0.363 0.000 2.075 383 F HA -0.159 4.417 4.527 0.082 0.000 0.297 383 F C 2.359 178.202 175.800 0.071 0.000 1.113 383 F CA 1.891 60.023 58.000 0.220 0.000 1.218 383 F CB -1.001 38.115 39.000 0.194 0.000 0.984 383 F HN -0.002 nan 8.300 nan 0.000 0.472 384 A N -0.272 122.690 122.820 0.237 0.000 1.902 384 A HA -0.194 4.175 4.320 0.082 0.000 0.217 384 A C 2.062 179.578 177.584 -0.114 0.000 1.181 384 A CA 2.123 54.198 52.037 0.064 0.000 0.623 384 A CB -0.720 18.366 19.000 0.143 0.000 0.818 384 A HN 0.621 nan 8.150 nan 0.000 0.443 385 E N -1.419 118.725 120.200 -0.094 0.000 2.132 385 E HA -0.061 4.338 4.350 0.082 0.000 0.193 385 E C 1.984 178.481 176.600 -0.172 0.000 0.951 385 E CA 0.481 56.767 56.400 -0.191 0.000 0.843 385 E CB -0.148 29.492 29.700 -0.100 0.000 0.807 385 E HN 0.568 nan 8.360 nan 0.000 0.467 386 N N 1.401 119.984 118.700 -0.195 0.000 2.176 386 N HA -0.160 4.629 4.740 0.082 0.000 0.187 386 N C 1.835 177.148 175.510 -0.329 0.000 1.043 386 N CA 1.353 54.233 53.050 -0.284 0.000 0.851 386 N CB 0.032 37.989 38.487 -0.883 0.000 1.018 386 N HN -0.069 nan 8.380 nan 0.000 0.436 387 E N 0.834 120.760 120.200 -0.456 0.000 2.097 387 E HA -0.135 4.264 4.350 0.082 0.000 0.196 387 E C 1.647 178.027 176.600 -0.366 0.000 1.000 387 E CA 1.574 57.776 56.400 -0.329 0.000 0.804 387 E CB -0.179 29.333 29.700 -0.314 0.000 0.740 387 E HN 0.512 nan 8.360 nan 0.000 0.454 388 Q N -0.345 119.180 119.800 -0.459 0.000 2.444 388 Q HA 0.240 4.630 4.340 0.082 0.000 0.206 388 Q C -0.012 175.855 176.000 -0.222 0.000 0.948 388 Q CA 0.195 55.793 55.803 -0.341 0.000 0.946 388 Q CB 0.451 28.976 28.738 -0.355 0.000 1.027 388 Q HN 0.220 nan 8.270 nan 0.000 0.513 389 A N 1.218 123.922 122.820 -0.193 0.000 2.511 389 A HA 0.447 4.816 4.320 0.082 0.000 0.242 389 A C -0.122 177.327 177.584 -0.224 0.000 1.069 389 A CA 0.204 52.110 52.037 -0.218 0.000 0.763 389 A CB 0.235 19.189 19.000 -0.077 0.000 1.001 389 A HN 0.275 nan 8.150 nan 0.000 0.498 390 A N 2.438 125.065 122.820 -0.321 0.000 2.332 390 A HA 0.709 5.079 4.320 0.082 0.000 0.300 390 A C -0.785 176.631 177.584 -0.280 0.000 1.153 390 A CA -0.418 51.492 52.037 -0.213 0.000 0.764 390 A CB 0.367 19.259 19.000 -0.181 0.000 1.174 390 A HN 0.643 nan 8.150 nan 0.000 0.467 391 F N 1.564 121.497 119.950 -0.028 0.000 2.470 391 F HA 0.650 5.226 4.527 0.082 0.000 0.329 391 F C 0.433 176.128 175.800 -0.174 0.000 1.072 391 F CA -0.200 57.759 58.000 -0.069 0.000 0.989 391 F CB 1.830 40.761 39.000 -0.115 0.000 1.193 391 F HN 0.644 nan 8.300 nan 0.000 0.481 392 H N 3.441 122.320 119.070 -0.318 0.000 3.083 392 H HA 0.264 4.865 4.556 0.075 0.000 0.339 392 H C -2.363 172.597 175.328 -0.614 0.000 1.020 392 H CA -2.627 52.958 56.048 -0.773 0.000 1.360 392 H CB 2.673 31.703 29.762 -1.220 0.000 1.811 392 H HN 0.189 nan 8.280 nan 0.000 0.493 393 P HA -0.055 nan 4.420 nan 0.000 0.222 393 P C 1.240 178.595 177.300 0.091 0.000 1.147 393 P CA 1.343 64.405 63.100 -0.064 0.000 0.790 393 P CB 0.082 31.759 31.700 -0.037 0.000 0.780 394 G N -1.110 107.558 108.800 -0.219 0.000 2.534 394 G HA2 -0.158 3.852 3.960 0.082 0.000 0.217 394 G HA3 -0.158 3.852 3.960 0.082 0.000 0.217 394 G C 0.442 175.265 174.900 -0.127 0.000 1.128 394 G CA 0.030 44.958 45.100 -0.288 0.000 0.784 394 G HN 0.432 nan 8.290 nan 0.000 0.542 395 H N 0.810 119.752 119.070 -0.213 0.000 3.216 395 H HA 0.339 4.941 4.556 0.077 0.000 0.263 395 H C 0.590 175.954 175.328 0.059 0.000 1.601 395 H CA -0.795 55.195 56.048 -0.097 0.000 1.509 395 H CB -0.102 29.613 29.762 -0.079 0.000 1.759 395 H HN 0.374 nan 8.280 nan 0.000 0.533 396 I N -0.313 120.325 120.570 0.114 0.000 3.076 396 I HA 0.676 4.896 4.170 0.082 0.000 0.313 396 I C -0.052 176.031 176.117 -0.057 0.000 1.053 396 I CA -1.383 59.936 61.300 0.032 0.000 1.048 396 I CB 1.777 39.670 38.000 -0.177 0.000 1.264 396 I HN 0.137 nan 8.210 nan 0.000 0.498 397 V N -2.159 117.716 119.914 -0.066 0.000 3.141 397 V HA 0.671 4.840 4.120 0.082 0.000 0.312 397 V C -2.845 173.347 176.094 0.164 0.000 1.157 397 V CA -2.588 59.736 62.300 0.041 0.000 1.041 397 V CB 0.985 32.821 31.823 0.020 0.000 1.071 397 V HN 0.639 nan 8.190 nan 0.000 0.441 398 P HA 0.352 nan 4.420 nan 0.000 0.262 398 P C 0.885 178.184 177.300 -0.000 0.000 1.182 398 P CA 1.981 65.152 63.100 0.119 0.000 0.761 398 P CB 0.569 32.315 31.700 0.077 0.000 0.795 399 G N 1.737 110.491 108.800 -0.077 0.000 2.218 399 G HA2 -0.159 3.850 3.960 0.082 0.000 0.216 399 G HA3 -0.159 3.850 3.960 0.082 0.000 0.216 399 G C -0.249 174.568 174.900 -0.140 0.000 0.994 399 G CA -0.441 44.593 45.100 -0.111 0.000 0.637 399 G HN 0.450 nan 8.290 nan 0.000 0.505 400 L N 0.069 121.225 121.223 -0.111 0.000 2.323 400 L HA 0.909 5.299 4.340 0.082 0.000 0.265 400 L C -0.595 176.226 176.870 -0.082 0.000 1.012 400 L CA -1.044 53.709 54.840 -0.144 0.000 0.820 400 L CB 2.114 44.017 42.059 -0.261 0.000 1.334 400 L HN 0.105 nan 8.230 nan 0.000 0.427 401 D N -0.600 119.737 120.400 -0.104 0.000 2.639 401 D HA 0.427 5.116 4.640 0.082 0.000 0.271 401 D C -1.150 175.097 176.300 -0.089 0.000 1.254 401 D CA -0.363 53.552 54.000 -0.141 0.000 0.810 401 D CB 1.898 42.689 40.800 -0.014 0.000 1.351 401 D HN 0.108 nan 8.370 nan 0.000 0.427 402 F N -0.124 119.967 119.950 0.234 0.000 2.251 402 F HA 0.505 5.082 4.527 0.083 0.000 0.302 402 F C 1.564 177.408 175.800 0.075 0.000 1.143 402 F CA -0.144 57.935 58.000 0.132 0.000 1.104 402 F CB 0.919 39.962 39.000 0.072 0.000 1.516 402 F HN 0.228 nan 8.300 nan 0.000 0.511 403 T N -3.299 111.375 114.554 0.199 0.000 2.804 403 T HA 0.305 4.704 4.350 0.082 0.000 0.290 403 T C -0.099 174.644 174.700 0.071 0.000 1.099 403 T CA -0.988 61.198 62.100 0.144 0.000 1.011 403 T CB 1.227 70.153 68.868 0.097 0.000 1.291 403 T HN 0.337 nan 8.240 nan 0.000 0.523 404 N N 1.039 119.779 118.700 0.067 0.000 2.449 404 N HA 0.055 4.844 4.740 0.082 0.000 0.191 404 N C 0.082 175.599 175.510 0.012 0.000 1.161 404 N CA 0.088 53.159 53.050 0.035 0.000 0.863 404 N CB -0.413 38.109 38.487 0.059 0.000 0.980 404 N HN 0.699 nan 8.380 nan 0.000 0.458 405 D N 2.436 122.830 120.400 -0.010 0.000 2.793 405 D HA -0.094 4.595 4.640 0.082 0.000 0.230 405 D C -1.293 174.998 176.300 -0.014 0.000 1.139 405 D CA -0.791 53.222 54.000 0.022 0.000 0.838 405 D CB 1.221 41.976 40.800 -0.075 0.000 1.149 405 D HN 0.158 nan 8.370 nan 0.000 0.526 406 P HA -0.130 nan 4.420 nan 0.000 0.226 406 P C 1.571 178.883 177.300 0.020 0.000 1.153 406 P CA 0.238 63.350 63.100 0.019 0.000 0.777 406 P CB 0.395 32.101 31.700 0.009 0.000 0.794 407 L N -0.368 120.887 121.223 0.053 0.000 2.068 407 L HA -0.001 4.389 4.340 0.082 0.000 0.204 407 L C 2.405 179.200 176.870 -0.124 0.000 1.076 407 L CA 1.238 56.111 54.840 0.055 0.000 0.753 407 L CB -1.564 40.620 42.059 0.209 0.000 0.910 407 L HN -0.171 nan 8.230 nan 0.000 0.439 408 L N -0.511 120.455 121.223 -0.427 0.000 2.012 408 L HA -0.223 4.167 4.340 0.082 0.000 0.210 408 L C 2.457 179.103 176.870 -0.373 0.000 1.073 408 L CA 1.795 56.184 54.840 -0.752 0.000 0.748 408 L CB -0.970 40.411 42.059 -1.129 0.000 0.891 408 L HN 0.367 nan 8.230 nan 0.000 0.431 409 Q N -0.066 119.576 119.800 -0.264 0.000 2.077 409 Q HA -0.185 4.204 4.340 0.082 0.000 0.206 409 Q C 2.120 178.052 176.000 -0.113 0.000 0.989 409 Q CA 1.922 57.612 55.803 -0.188 0.000 0.853 409 Q CB -0.934 27.737 28.738 -0.112 0.000 0.907 409 Q HN 0.709 nan 8.270 nan 0.000 0.418 410 G N 0.454 109.217 108.800 -0.062 0.000 2.421 410 G HA2 -0.218 3.791 3.960 0.082 0.000 0.217 410 G HA3 -0.218 3.791 3.960 0.082 0.000 0.217 410 G C 1.527 176.455 174.900 0.047 0.000 1.143 410 G CA 0.248 45.355 45.100 0.012 0.000 0.784 410 G HN 0.254 nan 8.290 nan 0.000 0.541 411 R N -0.122 120.364 120.500 -0.022 0.000 2.096 411 R HA 0.045 4.434 4.340 0.082 0.000 0.235 411 R C 2.515 178.917 176.300 0.169 0.000 1.127 411 R CA 0.786 56.933 56.100 0.078 0.000 0.968 411 R CB -0.444 29.895 30.300 0.065 0.000 0.861 411 R HN 0.346 nan 8.270 nan 0.000 0.440 412 L N -0.362 120.882 121.223 0.034 0.000 2.079 412 L HA -0.219 4.171 4.340 0.082 0.000 0.210 412 L C 2.313 179.308 176.870 0.209 0.000 1.081 412 L CA 1.236 56.115 54.840 0.064 0.000 0.752 412 L CB -0.521 41.393 42.059 -0.242 0.000 0.896 412 L HN 0.156 nan 8.230 nan 0.000 0.433 413 F N 0.325 120.297 119.950 0.037 0.000 2.128 413 F HA -0.200 4.359 4.527 0.054 0.000 0.295 413 F C 2.836 178.652 175.800 0.026 0.000 1.100 413 F CA 1.647 59.670 58.000 0.038 0.000 1.260 413 F CB -0.364 38.638 39.000 0.004 0.000 1.009 413 F HN -0.040 nan 8.300 nan 0.000 0.476 414 S N -0.777 114.837 115.700 -0.144 0.000 2.368 414 S HA -0.219 4.300 4.470 0.082 0.000 0.224 414 S C 2.085 176.405 174.600 -0.467 0.000 1.029 414 S CA 1.503 59.499 58.200 -0.340 0.000 0.988 414 S CB -0.794 62.289 63.200 -0.195 0.000 0.838 414 S HN 0.545 nan 8.310 nan 0.000 0.462 415 Y N 1.653 121.605 120.300 -0.580 0.000 2.200 415 Y HA -0.079 4.517 4.550 0.077 0.000 0.290 415 Y C 3.026 178.548 175.900 -0.630 0.000 1.137 415 Y CA 1.533 59.205 58.100 -0.712 0.000 1.163 415 Y CB -1.025 36.727 38.460 -1.180 0.000 0.988 415 Y HN 0.246 nan 8.280 nan 0.000 0.518 416 T N -0.349 113.974 114.554 -0.384 0.000 2.652 416 T HA -0.255 4.144 4.350 0.082 0.000 0.267 416 T C 1.446 176.008 174.700 -0.230 0.000 1.039 416 T CA 1.821 63.829 62.100 -0.153 0.000 1.153 416 T CB -0.558 68.328 68.868 0.030 0.000 0.863 416 T HN 0.368 nan 8.240 nan 0.000 0.428 417 D N 0.387 120.562 120.400 -0.375 0.000 2.092 417 D HA -0.125 4.565 4.640 0.082 0.000 0.193 417 D C 2.328 178.480 176.300 -0.247 0.000 0.994 417 D CA 1.743 55.533 54.000 -0.350 0.000 0.828 417 D CB -0.584 39.835 40.800 -0.636 0.000 0.963 417 D HN 0.255 nan 8.370 nan 0.000 0.450 418 T N -1.035 113.348 114.554 -0.286 0.000 2.833 418 T HA -0.149 4.250 4.350 0.082 0.000 0.269 418 T C 1.840 176.409 174.700 -0.217 0.000 1.054 418 T CA 1.427 63.394 62.100 -0.221 0.000 1.135 418 T CB -0.203 68.515 68.868 -0.250 0.000 0.869 418 T HN 0.237 nan 8.240 nan 0.000 0.466 419 Q N -0.170 119.443 119.800 -0.312 0.000 2.297 419 Q HA 0.031 4.421 4.340 0.082 0.000 0.204 419 Q C 2.121 177.962 176.000 -0.264 0.000 0.962 419 Q CA 0.753 56.306 55.803 -0.418 0.000 0.879 419 Q CB -0.019 28.217 28.738 -0.836 0.000 0.947 419 Q HN 0.455 nan 8.270 nan 0.000 0.462 420 I N 0.453 120.948 120.570 -0.125 0.000 2.361 420 I HA -0.204 4.016 4.170 0.082 0.000 0.251 420 I C 2.287 178.413 176.117 0.016 0.000 1.133 420 I CA 1.508 62.827 61.300 0.031 0.000 1.413 420 I CB -1.043 36.987 38.000 0.050 0.000 1.073 420 I HN 0.218 nan 8.210 nan 0.000 0.424 421 S N 0.034 115.718 115.700 -0.027 0.000 2.468 421 S HA -0.022 4.497 4.470 0.082 0.000 0.226 421 S C 2.131 176.722 174.600 -0.015 0.000 1.051 421 S CA -0.073 58.123 58.200 -0.008 0.000 0.943 421 S CB -0.224 62.971 63.200 -0.009 0.000 0.810 421 S HN 0.274 nan 8.310 nan 0.000 0.509 422 R N 1.067 121.538 120.500 -0.049 0.000 2.081 422 R HA 0.136 4.525 4.340 0.082 0.000 0.235 422 R C 1.308 177.590 176.300 -0.030 0.000 1.131 422 R CA 1.498 57.570 56.100 -0.047 0.000 0.960 422 R CB -0.323 29.925 30.300 -0.087 0.000 0.856 422 R HN 0.455 nan 8.270 nan 0.000 0.436 423 L N -0.254 120.946 121.223 -0.039 0.000 2.741 423 L HA 0.311 4.700 4.340 0.082 0.000 0.237 423 L C 0.840 177.740 176.870 0.050 0.000 1.178 423 L CA 0.236 55.076 54.840 -0.001 0.000 0.973 423 L CB 0.804 42.862 42.059 -0.000 0.000 1.255 423 L HN 0.560 nan 8.230 nan 0.000 0.498 424 G N 0.248 109.076 108.800 0.046 0.000 2.166 424 G HA2 -0.156 3.853 3.960 0.082 0.000 0.260 424 G HA3 -0.156 3.853 3.960 0.082 0.000 0.260 424 G C 0.462 175.412 174.900 0.083 0.000 0.986 424 G CA 0.208 45.343 45.100 0.058 0.000 0.683 424 G HN 0.766 nan 8.290 nan 0.000 0.527 425 G N -1.961 106.912 108.800 0.121 0.000 2.324 425 G HA2 0.625 4.634 3.960 0.082 0.000 0.293 425 G HA3 0.625 4.634 3.960 0.082 0.000 0.293 425 G C -2.223 172.813 174.900 0.226 0.000 1.297 425 G CA 0.318 45.500 45.100 0.137 0.000 0.853 425 G HN 0.370 nan 8.290 nan 0.000 0.535 426 P HA 0.120 nan 4.420 nan 0.000 0.249 426 P C 0.210 177.498 177.300 -0.021 0.000 1.229 426 P CA 0.316 63.512 63.100 0.160 0.000 0.788 426 P CB 0.272 32.037 31.700 0.109 0.000 1.072 427 N N 0.481 119.171 118.700 -0.017 0.000 2.376 427 N HA 0.077 4.867 4.740 0.082 0.000 0.249 427 N C 0.925 176.253 175.510 -0.303 0.000 1.140 427 N CA -0.204 52.733 53.050 -0.189 0.000 0.870 427 N CB -0.532 37.892 38.487 -0.105 0.000 1.124 427 N HN 0.255 nan 8.380 nan 0.000 0.505 428 F N 0.451 120.396 119.950 -0.008 0.000 2.451 428 F HA -0.031 4.535 4.527 0.065 0.000 0.299 428 F C 2.194 177.943 175.800 -0.084 0.000 1.101 428 F CA 0.622 58.590 58.000 -0.054 0.000 1.436 428 F CB -0.701 38.288 39.000 -0.018 0.000 1.074 428 F HN 0.165 nan 8.300 nan 0.000 0.553 429 H N 0.407 119.151 119.070 -0.542 0.000 2.546 429 H HA 0.087 4.691 4.556 0.080 0.000 0.277 429 H C 0.837 176.024 175.328 -0.236 0.000 1.004 429 H CA 1.252 57.083 56.048 -0.362 0.000 1.231 429 H CB -0.730 28.691 29.762 -0.569 0.000 1.382 429 H HN 0.513 nan 8.280 nan 0.000 0.580 430 E N 0.992 120.785 120.200 -0.678 0.000 2.442 430 E HA 0.174 4.573 4.350 0.082 0.000 0.195 430 E C 0.357 176.841 176.600 -0.192 0.000 1.030 430 E CA -0.254 55.904 56.400 -0.404 0.000 0.869 430 E CB 0.521 29.990 29.700 -0.385 0.000 0.857 430 E HN 0.422 nan 8.360 nan 0.000 0.505 431 I N 2.866 123.342 120.570 -0.157 0.000 2.598 431 I HA -0.050 4.170 4.170 0.082 0.000 0.284 431 I C -1.549 174.507 176.117 -0.102 0.000 1.140 431 I CA -1.473 59.763 61.300 -0.107 0.000 1.420 431 I CB 0.523 38.473 38.000 -0.083 0.000 1.387 431 I HN -0.193 nan 8.210 nan 0.000 0.553 432 P HA -0.283 nan 4.420 nan 0.000 0.218 432 P C 1.738 178.963 177.300 -0.125 0.000 1.165 432 P CA 1.463 64.505 63.100 -0.096 0.000 0.922 432 P CB 0.149 31.800 31.700 -0.082 0.000 0.794 433 I N -0.902 119.565 120.570 -0.173 0.000 2.335 433 I HA -0.207 4.012 4.170 0.082 0.000 0.251 433 I C 1.377 177.411 176.117 -0.139 0.000 1.129 433 I CA 1.749 62.894 61.300 -0.259 0.000 1.402 433 I CB -0.694 37.034 38.000 -0.454 0.000 1.069 433 I HN -0.087 nan 8.210 nan 0.000 0.424 434 N N 0.663 119.304 118.700 -0.098 0.000 2.463 434 N HA 0.022 4.811 4.740 0.082 0.000 0.181 434 N C 0.306 175.830 175.510 0.024 0.000 1.078 434 N CA 0.209 53.237 53.050 -0.037 0.000 0.902 434 N CB -0.158 38.327 38.487 -0.004 0.000 0.970 434 N HN 0.390 nan 8.380 nan 0.000 0.451 435 R N 1.666 122.171 120.500 0.008 0.000 2.570 435 R HA 0.132 4.522 4.340 0.082 0.000 0.277 435 R C -2.215 174.151 176.300 0.110 0.000 1.039 435 R CA -1.117 54.993 56.100 0.016 0.000 1.065 435 R CB -0.188 30.105 30.300 -0.010 0.000 0.964 435 R HN 0.046 nan 8.270 nan 0.000 0.428 436 P HA -0.010 nan 4.420 nan 0.000 0.272 436 P C 0.524 177.898 177.300 0.123 0.000 1.230 436 P CA -0.030 63.152 63.100 0.136 0.000 0.788 436 P CB 0.695 32.430 31.700 0.059 0.000 0.949 437 T N -3.168 111.469 114.554 0.139 0.000 3.040 437 T HA 0.095 4.494 4.350 0.082 0.000 0.250 437 T C 0.836 175.583 174.700 0.078 0.000 1.058 437 T CA -0.047 62.093 62.100 0.066 0.000 0.988 437 T CB -1.048 67.840 68.868 0.032 0.000 0.993 437 T HN 0.561 nan 8.240 nan 0.000 0.519 438 C N 1.189 120.550 119.300 0.101 0.000 2.345 438 C HA 0.793 5.302 4.460 0.082 0.000 0.369 438 C C -2.402 172.649 174.990 0.102 0.000 1.273 438 C CA -2.446 56.629 59.018 0.095 0.000 2.310 438 C CB 0.024 27.824 27.740 0.100 0.000 2.219 438 C HN 0.174 nan 8.230 nan 0.000 0.587 439 P HA 0.327 nan 4.420 nan 0.000 0.269 439 P C -1.240 176.141 177.300 0.135 0.000 1.215 439 P CA 0.352 63.522 63.100 0.116 0.000 0.780 439 P CB -0.002 31.803 31.700 0.176 0.000 0.898 440 Y N 0.169 120.389 120.300 -0.133 0.000 2.362 440 Y HA 0.625 5.223 4.550 0.081 0.000 0.326 440 Y C -1.609 174.032 175.900 -0.432 0.000 1.083 440 Y CA -0.857 57.144 58.100 -0.165 0.000 1.073 440 Y CB 1.084 39.457 38.460 -0.146 0.000 1.211 440 Y HN 0.425 nan 8.280 nan 0.000 0.433 441 H N 3.927 122.886 119.070 -0.184 0.000 2.856 441 H HA 0.585 5.190 4.556 0.082 0.000 0.355 441 H C -1.130 174.074 175.328 -0.208 0.000 1.079 441 H CA -0.720 55.145 56.048 -0.306 0.000 1.240 441 H CB 1.748 31.365 29.762 -0.241 0.000 1.701 441 H HN 0.893 nan 8.280 nan 0.000 0.527 442 N N 0.406 118.991 118.700 -0.192 0.000 3.378 442 N HA 0.163 4.952 4.740 0.082 0.000 0.294 442 N C -1.235 174.029 175.510 -0.410 0.000 1.544 442 N CA -0.917 51.977 53.050 -0.260 0.000 0.872 442 N CB 0.595 39.082 38.487 -0.000 0.000 1.670 442 N HN 0.302 nan 8.380 nan 0.000 0.551 443 F N -0.359 119.630 119.950 0.066 0.000 2.641 443 F HA 0.351 4.923 4.527 0.075 0.000 0.302 443 F C 0.395 176.238 175.800 0.071 0.000 1.098 443 F CA -0.353 57.683 58.000 0.059 0.000 1.318 443 F CB 0.187 39.217 39.000 0.050 0.000 1.035 443 F HN 0.143 nan 8.300 nan 0.000 0.551 444 Q N 1.651 121.556 119.800 0.176 0.000 2.314 444 Q HA 0.415 4.804 4.340 0.082 0.000 0.258 444 Q C 0.050 176.126 176.000 0.126 0.000 0.954 444 Q CA -0.102 55.786 55.803 0.141 0.000 0.890 444 Q CB 1.105 29.902 28.738 0.099 0.000 1.210 444 Q HN 0.112 nan 8.270 nan 0.000 0.410 445 R N 1.748 122.318 120.500 0.116 0.000 2.836 445 R HA 0.380 4.769 4.340 0.082 0.000 0.269 445 R C -0.568 175.782 176.300 0.083 0.000 1.010 445 R CA -0.677 55.482 56.100 0.099 0.000 0.930 445 R CB 1.150 31.511 30.300 0.101 0.000 1.218 445 R HN 0.701 nan 8.270 nan 0.000 0.473 446 D N -0.222 120.219 120.400 0.068 0.000 3.369 446 D HA -0.180 4.509 4.640 0.082 0.000 0.217 446 D C 0.376 176.711 176.300 0.058 0.000 1.532 446 D CA 2.044 56.077 54.000 0.055 0.000 1.126 446 D CB -1.098 39.734 40.800 0.052 0.000 0.683 446 D HN 0.916 nan 8.370 nan 0.000 0.827 447 G N -1.336 107.496 108.800 0.054 0.000 2.712 447 G HA2 0.197 4.206 3.960 0.082 0.000 0.686 447 G HA3 0.197 4.206 3.960 0.082 0.000 0.686 447 G C -0.261 174.674 174.900 0.058 0.000 1.321 447 G CA 0.059 45.195 45.100 0.060 0.000 0.813 447 G HN 0.822 nan 8.290 nan 0.000 0.599 448 M N 1.017 120.658 119.600 0.069 0.000 2.250 448 M HA 0.466 4.996 4.480 0.082 0.000 0.337 448 M C 1.097 177.473 176.300 0.126 0.000 1.161 448 M CA 1.286 56.635 55.300 0.081 0.000 1.088 448 M CB -0.490 32.161 32.600 0.086 0.000 1.639 448 M HN 1.600 nan 8.290 nan 0.000 0.447 449 H N 0.890 119.965 119.070 0.008 0.000 2.604 449 H HA -0.193 4.410 4.556 0.080 0.000 0.321 449 H C -0.725 174.592 175.328 -0.017 0.000 1.132 449 H CA 0.731 56.778 56.048 -0.001 0.000 1.129 449 H CB -0.638 29.125 29.762 0.002 0.000 1.526 449 H HN 0.624 nan 8.280 nan 0.000 0.415 450 R N 1.514 122.025 120.500 0.017 0.000 2.370 450 R HA 0.060 4.449 4.340 0.082 0.000 0.309 450 R C 0.889 177.183 176.300 -0.010 0.000 1.059 450 R CA 0.040 56.148 56.100 0.013 0.000 0.981 450 R CB 0.281 30.588 30.300 0.012 0.000 0.972 450 R HN 0.401 nan 8.270 nan 0.000 0.437 451 M N 2.604 122.214 119.600 0.016 0.000 2.412 451 M HA 0.221 4.750 4.480 0.082 0.000 0.263 451 M C 0.920 177.219 176.300 -0.002 0.000 1.122 451 M CA 1.010 56.318 55.300 0.013 0.000 1.179 451 M CB -0.835 31.783 32.600 0.029 0.000 1.335 451 M HN 0.714 nan 8.290 nan 0.000 0.465 452 G N 1.996 110.800 108.800 0.007 0.000 2.313 452 G HA2 0.358 4.367 3.960 0.082 0.000 0.250 452 G HA3 0.358 4.367 3.960 0.082 0.000 0.250 452 G C -0.333 174.564 174.900 -0.004 0.000 1.281 452 G CA -0.327 44.774 45.100 0.002 0.000 0.917 452 G HN 0.333 nan 8.290 nan 0.000 0.501 453 I N 2.991 123.552 120.570 -0.016 0.000 2.337 453 I HA 0.106 4.325 4.170 0.082 0.000 0.285 453 I C -0.279 175.830 176.117 -0.014 0.000 1.041 453 I CA -0.570 60.723 61.300 -0.011 0.000 1.199 453 I CB 0.928 38.921 38.000 -0.012 0.000 1.370 453 I HN 0.357 nan 8.210 nan 0.000 0.470 454 D N 4.692 125.089 120.400 -0.005 0.000 2.351 454 D HA 0.071 4.760 4.640 0.082 0.000 0.251 454 D C 1.197 177.500 176.300 0.006 0.000 1.137 454 D CA 0.263 54.259 54.000 -0.007 0.000 0.879 454 D CB 1.863 42.666 40.800 0.005 0.000 1.181 454 D HN 0.560 nan 8.370 nan 0.000 0.448 455 T N -0.938 113.616 114.554 0.000 0.000 3.040 455 T HA -0.052 4.347 4.350 0.082 0.000 0.250 455 T C 0.847 175.558 174.700 0.018 0.000 1.058 455 T CA -0.530 61.574 62.100 0.007 0.000 0.988 455 T CB 0.183 69.049 68.868 -0.004 0.000 0.993 455 T HN 0.121 nan 8.240 nan 0.000 0.519 456 N N 3.460 122.173 118.700 0.022 0.000 2.411 456 N HA 0.088 4.877 4.740 0.082 0.000 0.261 456 N C -1.639 173.912 175.510 0.068 0.000 1.248 456 N CA -1.522 51.554 53.050 0.043 0.000 0.885 456 N CB 1.445 39.957 38.487 0.042 0.000 1.062 456 N HN 0.068 nan 8.380 nan 0.000 0.471 457 P HA -0.019 nan 4.420 nan 0.000 0.218 457 P C -0.494 176.870 177.300 0.106 0.000 1.149 457 P CA 0.909 64.056 63.100 0.079 0.000 0.817 457 P CB 0.182 31.923 31.700 0.069 0.000 0.785 458 A N 0.789 123.661 122.820 0.087 0.000 2.301 458 A HA 0.390 4.759 4.320 0.082 0.000 0.312 458 A C 0.513 178.201 177.584 0.173 0.000 1.182 458 A CA -0.621 51.421 52.037 0.009 0.000 0.826 458 A CB -0.147 18.708 19.000 -0.241 0.000 1.134 458 A HN 0.304 nan 8.150 nan 0.000 0.501 459 N N 0.389 119.227 118.700 0.229 0.000 2.351 459 N HA 0.363 5.152 4.740 0.082 0.000 0.254 459 N C -0.899 174.779 175.510 0.280 0.000 1.241 459 N CA -0.370 52.896 53.050 0.361 0.000 0.883 459 N CB 0.345 38.996 38.487 0.274 0.000 1.202 459 N HN 0.694 nan 8.380 nan 0.000 0.512 460 Y N -1.083 119.086 120.300 -0.219 0.000 2.609 460 Y HA 0.665 5.261 4.550 0.078 0.000 0.336 460 Y C -1.576 173.721 175.900 -1.004 0.000 1.129 460 Y CA -1.365 56.429 58.100 -0.510 0.000 1.040 460 Y CB 1.021 39.347 38.460 -0.222 0.000 1.310 460 Y HN 0.068 nan 8.280 nan 0.000 0.460 461 E N 0.950 120.693 120.200 -0.763 0.000 2.356 461 E HA 0.637 5.036 4.350 0.082 0.000 0.275 461 E C -3.198 173.296 176.600 -0.176 0.000 0.904 461 E CA -2.027 54.010 56.400 -0.605 0.000 0.757 461 E CB 1.767 31.049 29.700 -0.696 0.000 1.232 461 E HN 0.567 nan 8.360 nan 0.000 0.442 462 P HA 0.276 nan 4.420 nan 0.000 0.275 462 P C -1.263 175.992 177.300 -0.075 0.000 1.227 462 P CA -0.427 62.607 63.100 -0.110 0.000 0.781 462 P CB 0.526 32.196 31.700 -0.050 0.000 0.906 463 N N -1.172 117.404 118.700 -0.207 0.000 2.229 463 N HA 0.353 5.143 4.740 0.082 0.000 0.298 463 N C 0.272 175.730 175.510 -0.086 0.000 1.114 463 N CA -0.756 52.173 53.050 -0.202 0.000 0.776 463 N CB 1.559 39.628 38.487 -0.697 0.000 1.501 463 N HN 0.189 nan 8.380 nan 0.000 0.474 464 S N 0.813 116.512 115.700 -0.001 0.000 2.506 464 S HA 0.006 4.526 4.470 0.082 0.000 0.219 464 S C 1.562 176.176 174.600 0.023 0.000 1.031 464 S CA -0.026 58.178 58.200 0.006 0.000 0.911 464 S CB -0.766 62.449 63.200 0.026 0.000 0.812 464 S HN 0.712 nan 8.310 nan 0.000 0.497 465 I N -0.553 120.039 120.570 0.037 0.000 2.756 465 I HA 0.194 4.413 4.170 0.082 0.000 0.262 465 I C 1.306 177.454 176.117 0.053 0.000 1.225 465 I CA 1.349 62.681 61.300 0.054 0.000 1.472 465 I CB -0.385 37.665 38.000 0.085 0.000 1.094 465 I HN 0.202 nan 8.210 nan 0.000 0.454 466 N N 1.101 119.829 118.700 0.047 0.000 2.299 466 N HA 0.032 4.821 4.740 0.082 0.000 0.246 466 N C -0.077 175.540 175.510 0.179 0.000 1.254 466 N CA -0.032 53.086 53.050 0.114 0.000 0.879 466 N CB 0.073 38.638 38.487 0.130 0.000 1.214 466 N HN 0.224 nan 8.380 nan 0.000 0.510 467 D N 0.828 121.280 120.400 0.087 0.000 2.751 467 D HA -0.253 4.436 4.640 0.082 0.000 0.233 467 D C -0.085 176.110 176.300 -0.174 0.000 1.149 467 D CA 1.044 55.060 54.000 0.027 0.000 0.682 467 D CB -1.434 39.456 40.800 0.150 0.000 1.068 467 D HN 0.463 nan 8.370 nan 0.000 0.429 468 N N -1.609 117.010 118.700 -0.134 0.000 2.753 468 N HA -0.249 4.541 4.740 0.082 0.000 0.251 468 N C -0.777 174.647 175.510 -0.143 0.000 1.097 468 N CA 1.440 54.380 53.050 -0.183 0.000 0.786 468 N CB -1.293 37.035 38.487 -0.265 0.000 1.137 468 N HN 0.549 nan 8.380 nan 0.000 0.566 469 W N 0.940 122.288 121.300 0.080 0.000 2.313 469 W HA 0.445 5.154 4.660 0.080 0.000 0.328 469 W C -1.645 174.905 176.519 0.051 0.000 1.197 469 W CA -1.639 55.734 57.345 0.047 0.000 1.235 469 W CB 0.501 29.939 29.460 -0.036 0.000 1.158 469 W HN -0.035 nan 8.180 nan 0.000 0.578 470 P HA 0.182 nan 4.420 nan 0.000 0.275 470 P C -0.682 176.748 177.300 0.216 0.000 1.228 470 P CA -0.111 63.122 63.100 0.221 0.000 0.786 470 P CB 0.931 32.615 31.700 -0.027 0.000 0.927 471 R N 1.143 121.760 120.500 0.195 0.000 2.598 471 R HA 0.341 4.730 4.340 0.082 0.000 0.279 471 R C 0.359 176.692 176.300 0.055 0.000 0.984 471 R CA -0.854 55.238 56.100 -0.013 0.000 0.999 471 R CB 1.031 31.110 30.300 -0.367 0.000 1.114 471 R HN 0.482 nan 8.270 nan 0.000 0.493 472 E N 0.696 120.914 120.200 0.031 0.000 2.436 472 E HA 0.027 4.426 4.350 0.082 0.000 0.262 472 E C -0.546 176.075 176.600 0.035 0.000 1.063 472 E CA 0.657 57.085 56.400 0.048 0.000 0.944 472 E CB 0.622 30.341 29.700 0.033 0.000 0.950 472 E HN 0.358 nan 8.360 nan 0.000 0.444 473 T N 3.409 117.995 114.554 0.053 0.000 2.881 473 T HA 0.322 4.721 4.350 0.082 0.000 0.291 473 T C -2.448 172.275 174.700 0.039 0.000 0.990 473 T CA -1.527 60.603 62.100 0.050 0.000 0.976 473 T CB 1.466 70.376 68.868 0.069 0.000 0.970 473 T HN 0.233 nan 8.240 nan 0.000 0.438 474 P HA 0.192 nan 4.420 nan 0.000 0.268 474 P C -2.404 174.902 177.300 0.010 0.000 1.208 474 P CA -1.064 62.043 63.100 0.012 0.000 0.777 474 P CB -0.242 31.461 31.700 0.005 0.000 0.875 475 P HA 0.286 nan 4.420 nan 0.000 0.272 475 P C -0.116 177.172 177.300 -0.020 0.000 1.223 475 P CA 0.297 63.382 63.100 -0.025 0.000 0.784 475 P CB 0.814 32.478 31.700 -0.059 0.000 0.923 476 G N 0.762 109.548 108.800 -0.023 0.000 2.488 476 G HA2 0.403 4.413 3.960 0.082 0.000 0.301 476 G HA3 0.403 4.413 3.960 0.082 0.000 0.301 476 G C -2.598 172.290 174.900 -0.020 0.000 1.339 476 G CA -0.758 44.332 45.100 -0.016 0.000 0.803 476 G HN 0.097 nan 8.290 nan 0.000 0.482 477 P HA 0.096 nan 4.420 nan 0.000 0.217 477 P C 0.240 177.534 177.300 -0.011 0.000 1.150 477 P CA 1.162 64.251 63.100 -0.017 0.000 0.832 477 P CB 0.189 31.881 31.700 -0.013 0.000 0.787 478 K N -1.481 118.920 120.400 0.001 0.000 2.498 478 K HA 0.403 4.772 4.320 0.082 0.000 0.254 478 K C -0.185 176.428 176.600 0.023 0.000 0.933 478 K CA -0.858 55.436 56.287 0.012 0.000 0.806 478 K CB 1.837 34.346 32.500 0.014 0.000 1.301 478 K HN -0.318 nan 8.250 nan 0.000 0.432 479 R N -0.254 120.267 120.500 0.035 0.000 3.627 479 R HA -0.153 4.237 4.340 0.082 0.000 0.281 479 R C -0.004 176.324 176.300 0.046 0.000 1.140 479 R CA 0.968 57.095 56.100 0.046 0.000 0.761 479 R CB -2.132 28.194 30.300 0.045 0.000 1.181 479 R HN 0.957 nan 8.270 nan 0.000 0.472 480 G N -0.856 107.966 108.800 0.037 0.000 2.511 480 G HA2 0.616 4.625 3.960 0.082 0.000 0.316 480 G HA3 0.616 4.625 3.960 0.082 0.000 0.316 480 G C 0.351 175.282 174.900 0.052 0.000 1.210 480 G CA 0.080 45.200 45.100 0.033 0.000 0.969 480 G HN 0.242 nan 8.290 nan 0.000 0.492 481 G N -1.385 107.447 108.800 0.052 0.000 2.572 481 G HA2 0.418 4.427 3.960 0.082 0.000 0.261 481 G HA3 0.418 4.427 3.960 0.082 0.000 0.261 481 G C -0.713 174.241 174.900 0.091 0.000 1.197 481 G CA -0.562 44.590 45.100 0.088 0.000 0.870 481 G HN 0.460 nan 8.290 nan 0.000 0.548 482 F N 0.345 120.307 119.950 0.020 0.000 2.456 482 F HA 0.411 4.990 4.527 0.087 0.000 0.358 482 F C 0.501 176.313 175.800 0.019 0.000 1.095 482 F CA -0.277 57.730 58.000 0.012 0.000 1.216 482 F CB 0.953 39.960 39.000 0.012 0.000 1.125 482 F HN 0.448 nan 8.300 nan 0.000 0.549 483 E N 4.334 124.155 120.200 -0.632 0.000 2.263 483 E HA 0.289 4.688 4.350 0.082 0.000 0.268 483 E C -1.205 175.071 176.600 -0.541 0.000 0.884 483 E CA -0.767 55.430 56.400 -0.338 0.000 0.766 483 E CB 1.559 31.154 29.700 -0.176 0.000 1.196 483 E HN 0.626 nan 8.360 nan 0.000 0.416 484 S N 2.724 118.334 115.700 -0.150 0.000 2.562 484 S HA -0.020 4.499 4.470 0.082 0.000 0.281 484 S C -0.504 174.085 174.600 -0.018 0.000 1.333 484 S CA -0.296 57.900 58.200 -0.007 0.000 1.052 484 S CB 0.063 63.383 63.200 0.200 0.000 0.884 484 S HN 0.475 nan 8.310 nan 0.000 0.506 485 Y N 2.747 122.989 120.300 -0.098 0.000 2.717 485 Y HA -0.025 4.573 4.550 0.081 0.000 0.330 485 Y C 0.808 176.690 175.900 -0.029 0.000 1.217 485 Y CA 0.093 58.143 58.100 -0.083 0.000 1.506 485 Y CB 0.163 38.576 38.460 -0.078 0.000 1.268 485 Y HN 0.581 nan 8.280 nan 0.000 0.561 486 Q N 5.280 124.729 119.800 -0.584 0.000 3.184 486 Q HA 0.029 4.419 4.340 0.082 0.000 0.288 486 Q C -0.221 175.460 176.000 -0.532 0.000 1.412 486 Q CA -0.059 55.488 55.803 -0.425 0.000 0.991 486 Q CB -0.185 28.383 28.738 -0.284 0.000 1.688 486 Q HN 0.643 nan 8.270 nan 0.000 0.554 487 E N 1.528 121.501 120.200 -0.378 0.000 2.413 487 E HA -0.006 4.393 4.350 0.082 0.000 0.263 487 E C -0.229 176.328 176.600 -0.072 0.000 1.015 487 E CA -0.469 55.839 56.400 -0.153 0.000 0.916 487 E CB 0.649 30.409 29.700 0.099 0.000 0.947 487 E HN 0.138 nan 8.360 nan 0.000 0.440 488 R N 3.186 123.670 120.500 -0.026 0.000 2.298 488 R HA 0.212 4.602 4.340 0.082 0.000 0.310 488 R C -1.523 174.796 176.300 0.032 0.000 1.068 488 R CA -0.250 55.848 56.100 -0.003 0.000 0.957 488 R CB 0.813 31.120 30.300 0.010 0.000 1.003 488 R HN 0.287 nan 8.270 nan 0.000 0.454 489 V N 5.084 125.011 119.914 0.021 0.000 2.417 489 V HA 0.420 4.589 4.120 0.082 0.000 0.291 489 V C -0.433 175.673 176.094 0.021 0.000 1.024 489 V CA -0.525 61.793 62.300 0.030 0.000 0.861 489 V CB 1.534 33.372 31.823 0.025 0.000 0.985 489 V HN 0.819 nan 8.190 nan 0.000 0.436 490 E N 2.826 123.041 120.200 0.025 0.000 2.317 490 E HA 0.668 5.068 4.350 0.082 0.000 0.270 490 E C -0.158 176.449 176.600 0.011 0.000 0.899 490 E CA -0.317 56.092 56.400 0.015 0.000 0.814 490 E CB 2.117 31.825 29.700 0.014 0.000 1.296 490 E HN 0.987 nan 8.360 nan 0.000 0.404 491 G N 2.344 111.146 108.800 0.003 0.000 2.316 491 G HA2 0.149 4.158 3.960 0.082 0.000 0.296 491 G HA3 0.149 4.158 3.960 0.082 0.000 0.296 491 G C -1.471 173.423 174.900 -0.009 0.000 1.399 491 G CA -1.041 44.057 45.100 -0.003 0.000 0.833 491 G HN 0.346 nan 8.290 nan 0.000 0.565 492 N N 0.018 118.710 118.700 -0.014 0.000 2.495 492 N HA 0.426 5.216 4.740 0.082 0.000 0.280 492 N C -0.186 175.311 175.510 -0.022 0.000 1.168 492 N CA -0.523 52.517 53.050 -0.017 0.000 0.978 492 N CB 1.021 39.497 38.487 -0.018 0.000 1.191 492 N HN 0.409 nan 8.380 nan 0.000 0.497 493 K N 1.132 121.519 120.400 -0.023 0.000 2.351 493 K HA 0.167 4.536 4.320 0.082 0.000 0.287 493 K C -0.702 175.876 176.600 -0.036 0.000 1.068 493 K CA -0.154 56.115 56.287 -0.029 0.000 0.998 493 K CB -0.288 32.196 32.500 -0.027 0.000 0.968 493 K HN 0.344 nan 8.250 nan 0.000 0.464 494 V N 0.252 120.140 119.914 -0.044 0.000 2.876 494 V HA 0.481 4.651 4.120 0.082 0.000 0.312 494 V C -0.474 175.580 176.094 -0.067 0.000 1.085 494 V CA -1.347 60.922 62.300 -0.050 0.000 0.945 494 V CB 2.048 33.843 31.823 -0.047 0.000 1.017 494 V HN 0.606 nan 8.190 nan 0.000 0.428 495 R N 2.311 122.767 120.500 -0.073 0.000 2.522 495 R HA 0.581 4.970 4.340 0.082 0.000 0.290 495 R C -0.491 175.762 176.300 -0.078 0.000 1.216 495 R CA -0.125 55.920 56.100 -0.093 0.000 1.250 495 R CB 0.723 30.955 30.300 -0.112 0.000 1.143 495 R HN 0.935 nan 8.270 nan 0.000 0.553 496 E N 1.977 122.126 120.200 -0.084 0.000 2.321 496 E HA 0.221 4.620 4.350 0.082 0.000 0.278 496 E C -1.260 175.271 176.600 -0.114 0.000 0.902 496 E CA -1.024 55.329 56.400 -0.078 0.000 0.758 496 E CB 1.653 31.314 29.700 -0.064 0.000 1.213 496 E HN 0.117 nan 8.360 nan 0.000 0.426 497 R N 1.706 122.141 120.500 -0.107 0.000 2.438 497 R HA 0.192 4.581 4.340 0.082 0.000 0.287 497 R C -0.479 175.703 176.300 -0.196 0.000 1.077 497 R CA 0.140 56.135 56.100 -0.176 0.000 1.034 497 R CB 1.101 31.355 30.300 -0.077 0.000 0.993 497 R HN 0.393 nan 8.270 nan 0.000 0.459 498 S N 4.939 120.412 115.700 -0.378 0.000 2.537 498 S HA 0.095 4.614 4.470 0.082 0.000 0.286 498 S C -1.530 173.047 174.600 -0.038 0.000 1.299 498 S CA -1.190 56.882 58.200 -0.214 0.000 1.067 498 S CB 0.634 63.666 63.200 -0.279 0.000 0.864 498 S HN 0.547 nan 8.310 nan 0.000 0.494 499 P HA -0.106 nan 4.420 nan 0.000 0.218 499 P C 1.553 178.907 177.300 0.089 0.000 1.148 499 P CA 1.251 64.377 63.100 0.043 0.000 0.822 499 P CB -0.128 31.587 31.700 0.025 0.000 0.784 500 S N -1.860 113.934 115.700 0.156 0.000 2.442 500 S HA -0.129 4.391 4.470 0.082 0.000 0.236 500 S C 1.549 176.292 174.600 0.237 0.000 1.007 500 S CA 0.893 59.208 58.200 0.192 0.000 0.965 500 S CB -1.479 61.866 63.200 0.242 0.000 0.773 500 S HN -0.030 nan 8.310 nan 0.000 0.504 501 F N 2.427 122.364 119.950 -0.023 0.000 2.710 501 F HA 0.349 4.925 4.527 0.082 0.000 0.298 501 F C 2.050 177.770 175.800 -0.133 0.000 1.137 501 F CA -0.590 57.388 58.000 -0.036 0.000 1.444 501 F CB -0.800 38.212 39.000 0.021 0.000 1.111 501 F HN 0.357 nan 8.300 nan 0.000 0.580 502 G N 0.541 109.335 108.800 -0.010 0.000 3.471 502 G HA2 0.076 4.085 3.960 0.082 0.000 0.254 502 G HA3 0.076 4.085 3.960 0.082 0.000 0.254 502 G C -0.028 174.441 174.900 -0.717 0.000 1.199 502 G CA 0.147 45.066 45.100 -0.302 0.000 1.683 502 G HN 0.055 nan 8.290 nan 0.000 0.625 503 E N 0.088 119.752 120.200 -0.894 0.000 2.274 503 E HA 0.311 4.710 4.350 0.082 0.000 0.269 503 E C -0.929 175.221 176.600 -0.749 0.000 0.891 503 E CA -0.747 55.219 56.400 -0.723 0.000 0.784 503 E CB 1.475 31.013 29.700 -0.271 0.000 1.225 503 E HN 0.220 nan 8.360 nan 0.000 0.412 504 Y N 2.582 122.674 120.300 -0.345 0.000 2.471 504 Y HA 0.199 4.798 4.550 0.082 0.000 0.249 504 Y C 0.723 176.357 175.900 -0.443 0.000 1.116 504 Y CA -0.123 57.690 58.100 -0.480 0.000 1.240 504 Y CB 0.400 38.422 38.460 -0.731 0.000 1.251 504 Y HN 0.414 nan 8.280 nan 0.000 0.527 505 Y N -1.188 119.192 120.300 0.133 0.000 2.483 505 Y HA 0.092 4.692 4.550 0.083 0.000 0.258 505 Y C 2.395 178.354 175.900 0.098 0.000 1.083 505 Y CA 0.136 58.310 58.100 0.123 0.000 1.283 505 Y CB -0.319 38.221 38.460 0.134 0.000 1.178 505 Y HN 0.064 nan 8.280 nan 0.000 0.515 506 S N -0.741 115.086 115.700 0.212 0.000 2.383 506 S HA -0.189 4.330 4.470 0.082 0.000 0.227 506 S C 1.610 176.279 174.600 0.115 0.000 1.026 506 S CA 1.464 59.772 58.200 0.180 0.000 0.981 506 S CB -0.756 62.559 63.200 0.193 0.000 0.818 506 S HN 0.538 nan 8.310 nan 0.000 0.472 507 H N 2.457 121.430 119.070 -0.161 0.000 2.333 507 H HA 0.058 4.663 4.556 0.083 0.000 0.302 507 H C -0.513 174.607 175.328 -0.346 0.000 1.075 507 H CA 1.348 57.141 56.048 -0.427 0.000 1.348 507 H CB -1.303 27.954 29.762 -0.841 0.000 1.393 507 H HN 0.407 nan 8.280 nan 0.000 0.509 508 P HA -0.190 nan 4.420 nan 0.000 0.215 508 P C 1.650 179.134 177.300 0.308 0.000 1.157 508 P CA 1.539 64.787 63.100 0.246 0.000 0.874 508 P CB -0.136 31.732 31.700 0.280 0.000 0.790 509 R N -0.409 120.224 120.500 0.221 0.000 2.075 509 R HA -0.134 4.256 4.340 0.082 0.000 0.232 509 R C 2.174 178.606 176.300 0.220 0.000 1.126 509 R CA 1.184 57.423 56.100 0.231 0.000 0.963 509 R CB -1.100 29.297 30.300 0.162 0.000 0.858 509 R HN 0.050 nan 8.270 nan 0.000 0.435 510 L N 0.563 121.856 121.223 0.116 0.000 2.012 510 L HA -0.159 4.231 4.340 0.082 0.000 0.210 510 L C 2.005 178.930 176.870 0.091 0.000 1.073 510 L CA 1.829 56.699 54.840 0.050 0.000 0.748 510 L CB -0.849 41.166 42.059 -0.074 0.000 0.891 510 L HN 0.263 nan 8.230 nan 0.000 0.431 511 F N -0.726 119.250 119.950 0.044 0.000 2.102 511 F HA -0.279 4.298 4.527 0.083 0.000 0.298 511 F C 2.352 178.153 175.800 0.001 0.000 1.105 511 F CA 2.205 60.209 58.000 0.007 0.000 1.239 511 F CB -0.664 38.373 39.000 0.062 0.000 0.991 511 F HN 0.399 nan 8.300 nan 0.000 0.474 512 W N 1.408 122.707 121.300 -0.001 0.000 2.318 512 W HA -0.258 4.451 4.660 0.082 0.000 0.313 512 W C 1.741 178.140 176.519 -0.200 0.000 1.221 512 W CA 1.887 59.173 57.345 -0.097 0.000 1.266 512 W CB -0.726 28.764 29.460 0.050 0.000 1.150 512 W HN 0.084 nan 8.180 nan 0.000 0.496 513 L N 1.093 122.230 121.223 -0.144 0.000 2.362 513 L HA -0.147 4.242 4.340 0.082 0.000 0.219 513 L C 2.314 178.990 176.870 -0.324 0.000 1.134 513 L CA 0.986 55.670 54.840 -0.260 0.000 0.807 513 L CB -0.650 41.383 42.059 -0.043 0.000 0.927 513 L HN -0.131 nan 8.230 nan 0.000 0.447 514 S N -1.489 113.999 115.700 -0.352 0.000 2.528 514 S HA 0.054 4.573 4.470 0.082 0.000 0.219 514 S C 0.729 175.042 174.600 -0.478 0.000 0.985 514 S CA 0.074 58.064 58.200 -0.349 0.000 0.914 514 S CB 0.055 63.082 63.200 -0.289 0.000 0.776 514 S HN 0.306 nan 8.310 nan 0.000 0.526 515 Q N 2.220 121.629 119.800 -0.652 0.000 2.260 515 Q HA 0.281 4.671 4.340 0.082 0.000 0.242 515 Q C 0.614 176.224 176.000 -0.650 0.000 0.932 515 Q CA -0.117 55.269 55.803 -0.696 0.000 0.891 515 Q CB 0.345 28.604 28.738 -0.799 0.000 1.222 515 Q HN 0.416 nan 8.270 nan 0.000 0.453 516 T N -1.753 112.376 114.554 -0.708 0.000 2.748 516 T HA 0.135 4.534 4.350 0.082 0.000 0.304 516 T C -1.708 172.527 174.700 -0.774 0.000 1.041 516 T CA -1.265 60.379 62.100 -0.761 0.000 1.033 516 T CB 0.214 68.384 68.868 -1.164 0.000 0.995 516 T HN 0.231 nan 8.240 nan 0.000 0.536 517 P HA -0.042 nan 4.420 nan 0.000 0.215 517 P C 1.445 178.527 177.300 -0.364 0.000 1.153 517 P CA 1.131 64.003 63.100 -0.380 0.000 0.853 517 P CB -0.289 31.303 31.700 -0.180 0.000 0.788 518 F N 0.016 119.764 119.950 -0.336 0.000 2.259 518 F HA 0.039 4.615 4.527 0.082 0.000 0.298 518 F C 1.855 177.287 175.800 -0.614 0.000 1.088 518 F CA 0.837 58.567 58.000 -0.451 0.000 1.358 518 F CB -1.675 37.038 39.000 -0.478 0.000 1.040 518 F HN -0.099 nan 8.300 nan 0.000 0.505 519 E N 0.502 120.137 120.200 -0.941 0.000 2.110 519 E HA -0.205 4.195 4.350 0.082 0.000 0.193 519 E C 2.212 178.622 176.600 -0.317 0.000 0.988 519 E CA 1.370 57.445 56.400 -0.541 0.000 0.804 519 E CB -0.254 29.090 29.700 -0.593 0.000 0.745 519 E HN 0.630 nan 8.360 nan 0.000 0.458 520 Q N 0.272 119.811 119.800 -0.436 0.000 2.079 520 Q HA -0.158 4.231 4.340 0.082 0.000 0.200 520 Q C 2.307 178.340 176.000 0.056 0.000 0.974 520 Q CA 0.986 56.575 55.803 -0.357 0.000 0.840 520 Q CB -0.143 28.123 28.738 -0.786 0.000 0.898 520 Q HN 0.134 nan 8.270 nan 0.000 0.430 521 R N 0.398 120.892 120.500 -0.009 0.000 2.091 521 R HA -0.191 4.199 4.340 0.082 0.000 0.238 521 R C 1.716 178.185 176.300 0.282 0.000 1.136 521 R CA 1.771 57.956 56.100 0.142 0.000 0.959 521 R CB -0.274 30.083 30.300 0.095 0.000 0.856 521 R HN 0.511 nan 8.270 nan 0.000 0.437 522 H N -0.252 118.913 119.070 0.157 0.000 2.387 522 H HA -0.085 4.520 4.556 0.082 0.000 0.299 522 H C 2.265 177.708 175.328 0.191 0.000 1.090 522 H CA 1.330 57.485 56.048 0.178 0.000 1.332 522 H CB -0.003 29.872 29.762 0.188 0.000 1.386 522 H HN 0.227 nan 8.280 nan 0.000 0.516 523 I N 0.149 120.932 120.570 0.356 0.000 2.142 523 I HA -0.270 3.950 4.170 0.082 0.000 0.240 523 I C 2.365 178.761 176.117 0.465 0.000 1.078 523 I CA 0.862 62.401 61.300 0.399 0.000 1.343 523 I CB -0.230 38.100 38.000 0.550 0.000 1.046 523 I HN 0.076 nan 8.210 nan 0.000 0.405 524 V N 0.999 121.189 119.914 0.460 0.000 2.282 524 V HA -0.341 3.828 4.120 0.082 0.000 0.249 524 V C 2.096 178.367 176.094 0.296 0.000 1.057 524 V CA 2.223 64.745 62.300 0.370 0.000 1.032 524 V CB -0.700 31.297 31.823 0.290 0.000 0.645 524 V HN 0.431 nan 8.190 nan 0.000 0.447 525 D N 0.319 120.874 120.400 0.259 0.000 2.144 525 D HA -0.108 4.581 4.640 0.082 0.000 0.199 525 D C 2.156 178.535 176.300 0.132 0.000 0.984 525 D CA 1.563 55.682 54.000 0.197 0.000 0.834 525 D CB -0.649 40.273 40.800 0.204 0.000 0.955 525 D HN 0.486 nan 8.370 nan 0.000 0.465 526 G N 0.179 109.034 108.800 0.091 0.000 2.433 526 G HA2 -0.259 3.750 3.960 0.082 0.000 0.216 526 G HA3 -0.259 3.750 3.960 0.082 0.000 0.216 526 G C 1.476 176.375 174.900 -0.002 0.000 1.186 526 G CA 0.276 45.339 45.100 -0.061 0.000 0.779 526 G HN 0.163 nan 8.290 nan 0.000 0.543 527 F N 1.870 121.862 119.950 0.069 0.000 2.095 527 F HA -0.117 4.459 4.527 0.082 0.000 0.298 527 F C 3.203 178.920 175.800 -0.139 0.000 1.104 527 F CA 1.702 59.674 58.000 -0.047 0.000 1.232 527 F CB -0.442 38.538 39.000 -0.033 0.000 0.987 527 F HN 0.093 nan 8.300 nan 0.000 0.475 528 S N -0.062 115.734 115.700 0.160 0.000 2.356 528 S HA -0.224 4.295 4.470 0.082 0.000 0.223 528 S C 1.872 176.490 174.600 0.030 0.000 1.032 528 S CA 1.365 59.605 58.200 0.067 0.000 1.005 528 S CB -0.891 62.370 63.200 0.101 0.000 0.867 528 S HN 0.402 nan 8.310 nan 0.000 0.449 529 F N 2.673 122.582 119.950 -0.068 0.000 2.069 529 F HA -0.158 4.418 4.527 0.082 0.000 0.298 529 F C 2.440 178.175 175.800 -0.107 0.000 1.113 529 F CA 1.675 59.623 58.000 -0.087 0.000 1.214 529 F CB -0.310 38.574 39.000 -0.194 0.000 0.978 529 F HN 0.118 nan 8.300 nan 0.000 0.474 530 E N 0.661 120.798 120.200 -0.104 0.000 2.058 530 E HA -0.237 4.162 4.350 0.082 0.000 0.194 530 E C 2.357 178.729 176.600 -0.379 0.000 0.997 530 E CA 1.832 58.133 56.400 -0.164 0.000 0.801 530 E CB -0.638 29.117 29.700 0.091 0.000 0.746 530 E HN 0.495 nan 8.360 nan 0.000 0.450 531 L N 1.390 122.313 121.223 -0.501 0.000 2.201 531 L HA -0.132 4.258 4.340 0.082 0.000 0.212 531 L C 2.715 179.413 176.870 -0.286 0.000 1.105 531 L CA 1.107 55.651 54.840 -0.493 0.000 0.775 531 L CB -0.511 41.277 42.059 -0.451 0.000 0.913 531 L HN 0.144 nan 8.230 nan 0.000 0.440 532 S N -0.673 114.873 115.700 -0.256 0.000 2.447 532 S HA -0.103 4.416 4.470 0.082 0.000 0.233 532 S C 1.744 176.228 174.600 -0.194 0.000 1.006 532 S CA 0.569 58.652 58.200 -0.195 0.000 0.957 532 S CB -0.109 62.986 63.200 -0.175 0.000 0.773 532 S HN 0.276 nan 8.310 nan 0.000 0.507 533 K N 1.313 121.565 120.400 -0.247 0.000 2.444 533 K HA 0.327 4.696 4.320 0.082 0.000 0.193 533 K C -0.051 176.534 176.600 -0.025 0.000 1.024 533 K CA -0.022 56.179 56.287 -0.142 0.000 1.077 533 K CB -0.168 32.225 32.500 -0.178 0.000 0.833 533 K HN 0.331 nan 8.250 nan 0.000 0.517 534 V N 2.193 122.071 119.914 -0.060 0.000 2.408 534 V HA 0.008 4.178 4.120 0.082 0.000 0.267 534 V C 1.739 177.816 176.094 -0.028 0.000 1.047 534 V CA -0.122 62.171 62.300 -0.012 0.000 0.937 534 V CB 1.274 33.059 31.823 -0.063 0.000 0.999 534 V HN -0.129 nan 8.190 nan 0.000 0.472 535 V N 5.226 125.148 119.914 0.014 0.000 2.358 535 V HA -0.067 4.103 4.120 0.082 0.000 0.246 535 V C 1.333 177.416 176.094 -0.017 0.000 1.047 535 V CA 1.355 63.661 62.300 0.009 0.000 1.035 535 V CB -0.449 31.398 31.823 0.039 0.000 0.658 535 V HN 0.769 nan 8.190 nan 0.000 0.452 536 R N 0.912 121.378 120.500 -0.056 0.000 2.242 536 R HA 0.184 4.573 4.340 0.082 0.000 0.334 536 R C -1.715 174.476 176.300 -0.182 0.000 1.071 536 R CA -1.441 54.605 56.100 -0.089 0.000 0.922 536 R CB 0.528 30.731 30.300 -0.162 0.000 1.023 536 R HN 0.244 nan 8.270 nan 0.000 0.458 537 P HA -0.218 nan 4.420 nan 0.000 0.216 537 P C 0.795 178.064 177.300 -0.051 0.000 1.150 537 P CA 1.225 64.300 63.100 -0.041 0.000 0.837 537 P CB -0.035 31.677 31.700 0.020 0.000 0.786 538 Y N -1.279 119.022 120.300 0.001 0.000 2.333 538 Y HA -0.101 4.498 4.550 0.082 0.000 0.290 538 Y C 1.974 177.880 175.900 0.011 0.000 1.144 538 Y CA 0.730 58.831 58.100 0.002 0.000 1.228 538 Y CB -1.752 36.709 38.460 0.003 0.000 0.985 538 Y HN -0.109 nan 8.280 nan 0.000 0.542 539 I N 0.902 121.021 120.570 -0.751 0.000 2.179 539 I HA -0.264 3.955 4.170 0.082 0.000 0.242 539 I C 2.558 178.582 176.117 -0.155 0.000 1.088 539 I CA 1.489 62.535 61.300 -0.424 0.000 1.357 539 I CB -0.433 37.312 38.000 -0.425 0.000 1.051 539 I HN 0.223 nan 8.210 nan 0.000 0.409 540 R N 0.936 121.337 120.500 -0.164 0.000 2.083 540 R HA -0.203 4.186 4.340 0.082 0.000 0.237 540 R C 2.151 178.404 176.300 -0.078 0.000 1.137 540 R CA 1.690 57.712 56.100 -0.130 0.000 0.951 540 R CB -0.510 29.712 30.300 -0.130 0.000 0.851 540 R HN 0.479 nan 8.270 nan 0.000 0.434 541 E N 0.472 120.647 120.200 -0.042 0.000 2.085 541 E HA -0.191 4.208 4.350 0.082 0.000 0.194 541 E C 2.176 178.782 176.600 0.010 0.000 0.994 541 E CA 1.078 57.473 56.400 -0.008 0.000 0.801 541 E CB -0.102 29.615 29.700 0.029 0.000 0.743 541 E HN 0.305 nan 8.360 nan 0.000 0.453 542 R N 0.396 120.917 120.500 0.034 0.000 2.096 542 R HA -0.102 4.287 4.340 0.082 0.000 0.235 542 R C 2.434 178.759 176.300 0.042 0.000 1.127 542 R CA 1.030 57.162 56.100 0.054 0.000 0.968 542 R CB -0.239 30.112 30.300 0.084 0.000 0.861 542 R HN 0.043 nan 8.270 nan 0.000 0.440 543 V N 0.251 120.186 119.914 0.036 0.000 2.358 543 V HA -0.196 3.973 4.120 0.082 0.000 0.246 543 V C 2.256 178.337 176.094 -0.023 0.000 1.047 543 V CA 1.453 63.790 62.300 0.061 0.000 1.035 543 V CB -0.264 31.625 31.823 0.111 0.000 0.658 543 V HN 0.129 nan 8.190 nan 0.000 0.452 544 V N 0.555 120.429 119.914 -0.067 0.000 2.343 544 V HA -0.316 3.854 4.120 0.082 0.000 0.247 544 V C 2.325 178.380 176.094 -0.066 0.000 1.051 544 V CA 2.481 64.717 62.300 -0.107 0.000 1.036 544 V CB -0.678 31.087 31.823 -0.096 0.000 0.654 544 V HN 0.658 nan 8.190 nan 0.000 0.451 545 D N -0.743 119.651 120.400 -0.009 0.000 2.123 545 D HA -0.207 4.483 4.640 0.082 0.000 0.196 545 D C 2.270 178.645 176.300 0.125 0.000 0.992 545 D CA 1.267 55.294 54.000 0.044 0.000 0.833 545 D CB -0.038 40.806 40.800 0.072 0.000 0.954 545 D HN 0.336 nan 8.370 nan 0.000 0.455 546 Q N -0.208 119.639 119.800 0.079 0.000 2.124 546 Q HA -0.098 4.291 4.340 0.082 0.000 0.202 546 Q C 2.586 178.614 176.000 0.048 0.000 0.977 546 Q CA 0.704 56.560 55.803 0.088 0.000 0.850 546 Q CB -0.303 28.500 28.738 0.108 0.000 0.901 546 Q HN 0.466 nan 8.270 nan 0.000 0.429 547 L N 0.077 121.262 121.223 -0.063 0.000 2.131 547 L HA -0.134 4.255 4.340 0.082 0.000 0.210 547 L C 2.363 179.123 176.870 -0.185 0.000 1.092 547 L CA 0.972 55.699 54.840 -0.188 0.000 0.759 547 L CB -0.680 41.157 42.059 -0.370 0.000 0.903 547 L HN 0.101 nan 8.230 nan 0.000 0.435 548 A N -0.735 121.998 122.820 -0.146 0.000 2.125 548 A HA -0.204 4.166 4.320 0.082 0.000 0.219 548 A C 1.740 179.152 177.584 -0.285 0.000 1.156 548 A CA 1.290 53.207 52.037 -0.200 0.000 0.671 548 A CB -0.724 18.164 19.000 -0.186 0.000 0.794 548 A HN 0.453 nan 8.150 nan 0.000 0.459 549 H N -1.290 117.566 119.070 -0.356 0.000 2.548 549 H HA 0.262 4.868 4.556 0.083 0.000 0.268 549 H C 1.583 176.635 175.328 -0.461 0.000 0.975 549 H CA 0.965 56.665 56.048 -0.580 0.000 1.195 549 H CB 0.076 29.045 29.762 -1.322 0.000 1.397 549 H HN 0.505 nan 8.280 nan 0.000 0.572 550 I N -1.115 119.358 120.570 -0.161 0.000 2.681 550 I HA 0.069 4.289 4.170 0.082 0.000 0.247 550 I C -0.127 175.924 176.117 -0.111 0.000 1.091 550 I CA 0.502 61.774 61.300 -0.046 0.000 1.442 550 I CB 0.646 38.644 38.000 -0.003 0.000 1.219 550 I HN 0.089 nan 8.210 nan 0.000 0.451 551 D N -1.028 119.233 120.400 -0.232 0.000 2.931 551 D HA 0.226 4.915 4.640 0.082 0.000 0.215 551 D C 0.096 176.232 176.300 -0.272 0.000 1.297 551 D CA -0.412 53.435 54.000 -0.255 0.000 0.892 551 D CB 1.391 41.916 40.800 -0.457 0.000 1.642 551 D HN -0.183 nan 8.370 nan 0.000 0.560 552 L N 2.426 123.549 121.223 -0.165 0.000 2.141 552 L HA 0.009 4.398 4.340 0.082 0.000 0.209 552 L C 2.202 178.997 176.870 -0.125 0.000 1.094 552 L CA 1.718 56.473 54.840 -0.142 0.000 0.763 552 L CB -0.802 41.199 42.059 -0.097 0.000 0.908 552 L HN 0.628 nan 8.230 nan 0.000 0.437 553 T N -0.624 113.881 114.554 -0.082 0.000 2.777 553 T HA -0.163 4.236 4.350 0.082 0.000 0.266 553 T C 1.835 176.484 174.700 -0.085 0.000 1.040 553 T CA 1.375 63.472 62.100 -0.005 0.000 1.141 553 T CB -0.287 68.669 68.868 0.147 0.000 0.868 553 T HN 0.209 nan 8.240 nan 0.000 0.444 554 L N 1.760 122.773 121.223 -0.350 0.000 1.994 554 L HA 0.043 4.433 4.340 0.082 0.000 0.208 554 L C 2.614 179.250 176.870 -0.390 0.000 1.071 554 L CA 2.161 56.611 54.840 -0.649 0.000 0.745 554 L CB -1.167 40.028 42.059 -1.440 0.000 0.892 554 L HN 0.202 nan 8.230 nan 0.000 0.431 555 A N -1.021 121.586 122.820 -0.354 0.000 1.883 555 A HA -0.291 4.078 4.320 0.082 0.000 0.217 555 A C 2.258 179.740 177.584 -0.171 0.000 1.186 555 A CA 2.091 53.970 52.037 -0.263 0.000 0.624 555 A CB -0.754 18.113 19.000 -0.221 0.000 0.822 555 A HN 0.706 nan 8.150 nan 0.000 0.444 556 Q N -1.031 118.693 119.800 -0.127 0.000 2.119 556 Q HA -0.086 4.303 4.340 0.082 0.000 0.201 556 Q C 2.425 178.396 176.000 -0.048 0.000 0.972 556 Q CA 1.226 56.985 55.803 -0.073 0.000 0.847 556 Q CB -0.329 28.380 28.738 -0.048 0.000 0.903 556 Q HN 0.708 nan 8.270 nan 0.000 0.433 557 A N 0.074 122.871 122.820 -0.039 0.000 1.898 557 A HA -0.118 4.251 4.320 0.082 0.000 0.216 557 A C 2.262 179.847 177.584 0.001 0.000 1.181 557 A CA 1.170 53.214 52.037 0.010 0.000 0.620 557 A CB -0.520 18.520 19.000 0.066 0.000 0.819 557 A HN 0.205 nan 8.150 nan 0.000 0.442 558 V N -0.124 119.761 119.914 -0.048 0.000 2.307 558 V HA -0.210 3.959 4.120 0.082 0.000 0.245 558 V C 3.070 179.129 176.094 -0.057 0.000 1.045 558 V CA 1.824 64.091 62.300 -0.054 0.000 1.024 558 V CB -1.283 30.449 31.823 -0.152 0.000 0.651 558 V HN 0.599 nan 8.190 nan 0.000 0.449 559 A N 0.022 122.797 122.820 -0.076 0.000 1.908 559 A HA -0.316 4.053 4.320 0.082 0.000 0.218 559 A C 2.350 179.915 177.584 -0.032 0.000 1.181 559 A CA 2.438 54.439 52.037 -0.060 0.000 0.627 559 A CB -0.563 18.399 19.000 -0.063 0.000 0.818 559 A HN 0.547 nan 8.150 nan 0.000 0.445 560 K N -0.546 119.843 120.400 -0.019 0.000 2.057 560 K HA -0.192 4.177 4.320 0.082 0.000 0.207 560 K C 1.456 178.060 176.600 0.008 0.000 1.049 560 K CA 1.624 57.910 56.287 -0.001 0.000 0.931 560 K CB -0.230 32.276 32.500 0.010 0.000 0.714 560 K HN 0.415 nan 8.250 nan 0.000 0.440 561 N N 0.717 119.426 118.700 0.014 0.000 2.381 561 N HA -0.088 4.701 4.740 0.082 0.000 0.182 561 N C 1.234 176.748 175.510 0.007 0.000 1.025 561 N CA 0.821 53.887 53.050 0.025 0.000 0.888 561 N CB 0.093 38.608 38.487 0.046 0.000 0.965 561 N HN 0.279 nan 8.380 nan 0.000 0.438 562 L N -0.869 120.346 121.223 -0.013 0.000 2.640 562 L HA 0.267 4.656 4.340 0.082 0.000 0.230 562 L C 0.883 177.741 176.870 -0.020 0.000 1.123 562 L CA -0.133 54.690 54.840 -0.028 0.000 0.900 562 L CB -0.052 41.974 42.059 -0.054 0.000 1.146 562 L HN 0.059 nan 8.230 nan 0.000 0.484 563 G N 1.611 110.405 108.800 -0.010 0.000 2.249 563 G HA2 -0.289 3.720 3.960 0.082 0.000 0.273 563 G HA3 -0.289 3.720 3.960 0.082 0.000 0.273 563 G C -0.002 174.891 174.900 -0.011 0.000 1.036 563 G CA 0.155 45.252 45.100 -0.006 0.000 0.824 563 G HN 0.331 nan 8.290 nan 0.000 0.504 564 I N -0.491 120.068 120.570 -0.019 0.000 2.460 564 I HA 0.498 4.718 4.170 0.082 0.000 0.298 564 I C 0.183 176.287 176.117 -0.022 0.000 0.989 564 I CA -0.906 60.381 61.300 -0.022 0.000 1.173 564 I CB 1.898 39.878 38.000 -0.033 0.000 1.338 564 I HN 0.126 nan 8.210 nan 0.000 0.456 565 E N 5.670 125.858 120.200 -0.019 0.000 2.133 565 E HA 0.418 4.817 4.350 0.082 0.000 0.274 565 E C -1.048 175.536 176.600 -0.026 0.000 0.930 565 E CA -0.521 55.867 56.400 -0.020 0.000 0.770 565 E CB 1.054 30.745 29.700 -0.014 0.000 1.104 565 E HN 0.403 nan 8.360 nan 0.000 0.403 566 L N 3.898 125.101 121.223 -0.034 0.000 2.453 566 L HA 0.164 4.554 4.340 0.082 0.000 0.272 566 L C 0.946 177.795 176.870 -0.035 0.000 1.182 566 L CA -0.190 54.624 54.840 -0.042 0.000 0.858 566 L CB 0.397 42.422 42.059 -0.057 0.000 1.120 566 L HN 0.700 nan 8.230 nan 0.000 0.474 567 T N -2.010 112.523 114.554 -0.034 0.000 2.788 567 T HA 0.056 4.455 4.350 0.082 0.000 0.287 567 T C 0.762 175.441 174.700 -0.035 0.000 1.007 567 T CA -0.743 61.340 62.100 -0.028 0.000 1.005 567 T CB 1.046 69.900 68.868 -0.023 0.000 1.012 567 T HN 0.499 nan 8.240 nan 0.000 0.530 568 D N 0.308 120.691 120.400 -0.029 0.000 2.144 568 D HA -0.051 4.638 4.640 0.082 0.000 0.199 568 D C 1.712 177.987 176.300 -0.041 0.000 0.984 568 D CA 1.108 55.089 54.000 -0.031 0.000 0.834 568 D CB -0.355 40.431 40.800 -0.023 0.000 0.955 568 D HN 0.603 nan 8.370 nan 0.000 0.465 569 D N 0.374 120.750 120.400 -0.039 0.000 2.104 569 D HA -0.131 4.558 4.640 0.082 0.000 0.194 569 D C 2.099 178.351 176.300 -0.080 0.000 0.994 569 D CA 0.837 54.807 54.000 -0.049 0.000 0.830 569 D CB -0.238 40.540 40.800 -0.036 0.000 0.959 569 D HN 0.294 nan 8.370 nan 0.000 0.452 570 Q N -0.271 119.480 119.800 -0.082 0.000 2.096 570 Q HA -0.081 4.308 4.340 0.082 0.000 0.204 570 Q C 2.337 178.260 176.000 -0.128 0.000 0.982 570 Q CA 0.742 56.474 55.803 -0.119 0.000 0.850 570 Q CB -0.112 28.572 28.738 -0.090 0.000 0.901 570 Q HN 0.326 nan 8.270 nan 0.000 0.422 571 L N 0.618 121.786 121.223 -0.091 0.000 2.362 571 L HA -0.123 4.267 4.340 0.082 0.000 0.219 571 L C 1.247 178.068 176.870 -0.082 0.000 1.134 571 L CA 0.429 55.220 54.840 -0.081 0.000 0.807 571 L CB -0.151 41.874 42.059 -0.056 0.000 0.927 571 L HN 0.206 nan 8.230 nan 0.000 0.447 572 N N -0.073 118.575 118.700 -0.085 0.000 2.230 572 N HA 0.227 5.016 4.740 0.082 0.000 0.202 572 N C 0.330 175.778 175.510 -0.103 0.000 1.119 572 N CA 0.076 53.080 53.050 -0.077 0.000 0.851 572 N CB 0.508 38.961 38.487 -0.057 0.000 0.990 572 N HN 0.238 nan 8.380 nan 0.000 0.497 573 I N 1.711 122.185 120.570 -0.160 0.000 2.598 573 I HA -0.041 4.179 4.170 0.082 0.000 0.284 573 I C 0.455 176.473 176.117 -0.164 0.000 1.140 573 I CA 0.315 61.481 61.300 -0.223 0.000 1.420 573 I CB 0.329 38.068 38.000 -0.435 0.000 1.387 573 I HN -0.175 nan 8.210 nan 0.000 0.553 574 T N 8.346 122.831 114.554 -0.114 0.000 2.888 574 T HA 0.148 4.548 4.350 0.082 0.000 0.301 574 T C -1.979 172.683 174.700 -0.064 0.000 1.001 574 T CA -0.824 61.237 62.100 -0.065 0.000 1.147 574 T CB 0.108 68.959 68.868 -0.028 0.000 0.931 574 T HN 0.419 nan 8.240 nan 0.000 0.541 575 P HA 0.188 nan 4.420 nan 0.000 0.269 575 P C -2.435 174.881 177.300 0.026 0.000 1.215 575 P CA -1.351 61.737 63.100 -0.020 0.000 0.780 575 P CB -0.436 31.263 31.700 -0.001 0.000 0.898 576 P HA 0.220 nan 4.420 nan 0.000 0.272 576 P C -2.426 174.929 177.300 0.092 0.000 1.230 576 P CA -1.299 61.869 63.100 0.114 0.000 0.788 576 P CB -1.013 30.801 31.700 0.191 0.000 0.949 577 P HA 0.112 nan 4.420 nan 0.000 0.270 577 P C -0.201 177.150 177.300 0.084 0.000 1.223 577 P CA 0.176 63.324 63.100 0.079 0.000 0.785 577 P CB 0.250 31.998 31.700 0.081 0.000 0.923 578 D N -0.280 120.162 120.400 0.070 0.000 2.357 578 D HA 0.078 4.767 4.640 0.082 0.000 0.242 578 D C -0.114 176.235 176.300 0.081 0.000 1.153 578 D CA -0.027 54.011 54.000 0.063 0.000 0.918 578 D CB 0.470 41.301 40.800 0.052 0.000 1.181 578 D HN -0.025 nan 8.370 nan 0.000 0.435 579 V N 2.606 122.556 119.914 0.061 0.000 2.372 579 V HA 0.016 4.186 4.120 0.082 0.000 0.261 579 V C 0.314 176.500 176.094 0.154 0.000 1.055 579 V CA -0.322 62.043 62.300 0.108 0.000 0.930 579 V CB -0.664 31.126 31.823 -0.055 0.000 1.031 579 V HN 0.604 nan 8.190 nan 0.000 0.479 580 N N 4.607 123.416 118.700 0.183 0.000 2.699 580 N HA -0.229 4.561 4.740 0.082 0.000 0.256 580 N C 1.181 176.752 175.510 0.102 0.000 0.993 580 N CA 0.846 53.986 53.050 0.150 0.000 0.759 580 N CB -0.856 37.758 38.487 0.212 0.000 0.906 580 N HN 1.258 nan 8.380 nan 0.000 0.541 581 G N -1.680 107.167 108.800 0.078 0.000 2.184 581 G HA2 -0.340 3.670 3.960 0.082 0.000 0.264 581 G HA3 -0.340 3.670 3.960 0.082 0.000 0.264 581 G C 0.149 175.079 174.900 0.050 0.000 0.975 581 G CA 0.473 45.607 45.100 0.056 0.000 0.642 581 G HN 0.431 nan 8.290 nan 0.000 0.536 582 L N -0.070 121.186 121.223 0.055 0.000 2.331 582 L HA 0.415 4.805 4.340 0.082 0.000 0.278 582 L C 1.449 178.333 176.870 0.023 0.000 1.106 582 L CA -0.304 54.559 54.840 0.038 0.000 0.824 582 L CB 1.207 43.288 42.059 0.038 0.000 1.142 582 L HN 0.043 nan 8.230 nan 0.000 0.443 583 K N 2.794 123.202 120.400 0.014 0.000 2.358 583 K HA 0.134 4.503 4.320 0.082 0.000 0.197 583 K C -0.401 176.192 176.600 -0.012 0.000 1.025 583 K CA 0.092 56.383 56.287 0.008 0.000 1.104 583 K CB 0.454 32.959 32.500 0.007 0.000 0.855 583 K HN 0.579 nan 8.250 nan 0.000 0.531 584 K N -0.474 119.915 120.400 -0.019 0.000 2.870 584 K HA 0.188 4.558 4.320 0.082 0.000 0.290 584 K C -2.257 174.326 176.600 -0.028 0.000 1.070 584 K CA -0.951 55.309 56.287 -0.045 0.000 0.843 584 K CB 1.148 33.603 32.500 -0.076 0.000 1.475 584 K HN -0.228 nan 8.250 nan 0.000 0.359 585 D N 1.781 122.158 120.400 -0.039 0.000 2.375 585 D HA 0.316 5.005 4.640 0.082 0.000 0.241 585 D C -2.196 174.089 176.300 -0.025 0.000 1.361 585 D CA -1.983 52.014 54.000 -0.006 0.000 0.995 585 D CB 2.156 42.974 40.800 0.030 0.000 1.312 585 D HN 0.279 nan 8.370 nan 0.000 0.576 586 P HA -0.106 nan 4.420 nan 0.000 0.221 586 P C 1.252 178.548 177.300 -0.008 0.000 1.145 586 P CA 0.864 63.938 63.100 -0.043 0.000 0.795 586 P CB 0.212 31.897 31.700 -0.025 0.000 0.775 587 S N -1.321 114.408 115.700 0.048 0.000 2.515 587 S HA -0.025 4.494 4.470 0.082 0.000 0.231 587 S C 1.659 176.348 174.600 0.149 0.000 0.987 587 S CA 0.620 58.885 58.200 0.109 0.000 0.936 587 S CB -1.327 61.964 63.200 0.151 0.000 0.766 587 S HN 0.138 nan 8.310 nan 0.000 0.528 588 L N 1.182 122.457 121.223 0.086 0.000 2.418 588 L HA 0.191 4.580 4.340 0.082 0.000 0.218 588 L C 1.507 178.292 176.870 -0.143 0.000 1.125 588 L CA 0.145 55.037 54.840 0.086 0.000 0.835 588 L CB -0.301 41.791 42.059 0.055 0.000 0.953 588 L HN 0.322 nan 8.230 nan 0.000 0.454 589 S N -0.394 115.198 115.700 -0.179 0.000 2.584 589 S HA 0.260 4.780 4.470 0.082 0.000 0.273 589 S C 1.091 175.581 174.600 -0.183 0.000 1.311 589 S CA -0.587 57.452 58.200 -0.268 0.000 1.034 589 S CB 1.261 64.303 63.200 -0.264 0.000 0.939 589 S HN 0.159 nan 8.310 nan 0.000 0.513 590 L N 3.193 124.227 121.223 -0.316 0.000 2.131 590 L HA 0.025 4.414 4.340 0.082 0.000 0.206 590 L C 0.871 177.473 176.870 -0.446 0.000 1.087 590 L CA 1.107 55.666 54.840 -0.467 0.000 0.767 590 L CB -0.248 41.223 42.059 -0.980 0.000 0.917 590 L HN 0.773 nan 8.230 nan 0.000 0.441 591 Y N -2.206 118.101 120.300 0.011 0.000 2.453 591 Y HA 0.338 4.937 4.550 0.083 0.000 0.247 591 Y C 2.137 178.061 175.900 0.041 0.000 1.124 591 Y CA -0.146 58.008 58.100 0.089 0.000 1.243 591 Y CB -0.530 38.029 38.460 0.165 0.000 1.213 591 Y HN -0.033 nan 8.280 nan 0.000 0.523 592 A N 0.875 123.724 122.820 0.047 0.000 1.892 592 A HA -0.116 4.253 4.320 0.082 0.000 0.218 592 A C 0.974 178.595 177.584 0.062 0.000 1.188 592 A CA 1.199 53.239 52.037 0.005 0.000 0.631 592 A CB -0.833 18.116 19.000 -0.086 0.000 0.822 592 A HN 0.306 nan 8.150 nan 0.000 0.447 593 I N 1.714 122.325 120.570 0.067 0.000 2.307 593 I HA 0.223 4.443 4.170 0.082 0.000 0.289 593 I C -2.240 173.947 176.117 0.116 0.000 1.021 593 I CA -2.274 59.073 61.300 0.079 0.000 1.224 593 I CB 1.363 39.399 38.000 0.059 0.000 1.376 593 I HN 0.099 nan 8.210 nan 0.000 0.470 594 P HA -0.031 nan 4.420 nan 0.000 0.261 594 P C -0.396 176.977 177.300 0.122 0.000 1.173 594 P CA 0.338 63.526 63.100 0.147 0.000 0.760 594 P CB 0.477 32.249 31.700 0.120 0.000 0.783 595 D N 0.918 121.400 120.400 0.137 0.000 2.672 595 D HA 0.082 4.771 4.640 0.082 0.000 0.287 595 D C 0.533 176.893 176.300 0.100 0.000 1.559 595 D CA -0.416 53.647 54.000 0.106 0.000 0.796 595 D CB -0.520 40.341 40.800 0.101 0.000 1.181 595 D HN 0.321 nan 8.370 nan 0.000 0.458 596 G N 0.401 109.269 108.800 0.114 0.000 2.353 596 G HA2 0.317 4.326 3.960 0.082 0.000 0.239 596 G HA3 0.317 4.326 3.960 0.082 0.000 0.239 596 G C -0.575 174.363 174.900 0.063 0.000 1.295 596 G CA 0.116 45.277 45.100 0.100 0.000 0.884 596 G HN 0.195 nan 8.290 nan 0.000 0.537 597 D N 1.176 121.606 120.400 0.050 0.000 2.602 597 D HA 0.153 4.842 4.640 0.082 0.000 0.245 597 D C 1.014 177.326 176.300 0.020 0.000 1.325 597 D CA -0.550 53.466 54.000 0.026 0.000 0.952 597 D CB 1.602 42.411 40.800 0.015 0.000 1.317 597 D HN 0.293 nan 8.370 nan 0.000 0.577 598 V N 2.017 121.936 119.914 0.009 0.000 3.129 598 V HA 0.180 4.349 4.120 0.082 0.000 0.259 598 V C 1.064 177.141 176.094 -0.028 0.000 1.116 598 V CA 0.306 62.606 62.300 0.000 0.000 1.127 598 V CB -0.771 31.047 31.823 -0.009 0.000 0.742 598 V HN 0.396 nan 8.190 nan 0.000 0.474 599 K N 1.383 121.759 120.400 -0.041 0.000 2.472 599 K HA 0.360 4.730 4.320 0.082 0.000 0.280 599 K C 1.230 177.792 176.600 -0.064 0.000 1.028 599 K CA 1.177 57.418 56.287 -0.076 0.000 1.045 599 K CB -0.072 32.388 32.500 -0.066 0.000 0.902 599 K HN 0.739 nan 8.250 nan 0.000 0.478 600 G N 3.224 111.957 108.800 -0.111 0.000 2.213 600 G HA2 -0.215 3.795 3.960 0.082 0.000 0.236 600 G HA3 -0.215 3.795 3.960 0.082 0.000 0.236 600 G C 0.073 175.018 174.900 0.074 0.000 0.991 600 G CA -0.217 44.887 45.100 0.006 0.000 0.629 600 G HN 0.567 nan 8.290 nan 0.000 0.517 601 R N -0.127 120.386 120.500 0.021 0.000 2.738 601 R HA 0.682 5.072 4.340 0.082 0.000 0.275 601 R C 0.034 176.390 176.300 0.093 0.000 1.121 601 R CA -0.005 56.137 56.100 0.070 0.000 1.207 601 R CB 0.864 31.198 30.300 0.057 0.000 1.141 601 R HN 0.671 nan 8.270 nan 0.000 0.571 602 V N 0.342 120.327 119.914 0.119 0.000 2.841 602 V HA 0.447 4.617 4.120 0.082 0.000 0.310 602 V C -1.099 175.060 176.094 0.107 0.000 1.090 602 V CA -0.740 61.644 62.300 0.140 0.000 0.930 602 V CB 2.511 34.440 31.823 0.176 0.000 1.014 602 V HN 0.361 nan 8.190 nan 0.000 0.425 603 V N 5.289 125.261 119.914 0.098 0.000 2.628 603 V HA 0.826 4.996 4.120 0.082 0.000 0.306 603 V C 0.441 176.592 176.094 0.095 0.000 1.045 603 V CA -0.203 62.145 62.300 0.080 0.000 0.905 603 V CB 1.779 33.634 31.823 0.054 0.000 0.997 603 V HN 1.179 nan 8.190 nan 0.000 0.436 604 A N 5.504 128.387 122.820 0.106 0.000 2.331 604 A HA 0.789 5.158 4.320 0.082 0.000 0.283 604 A C -0.493 177.108 177.584 0.030 0.000 1.142 604 A CA -0.280 51.812 52.037 0.092 0.000 0.812 604 A CB 0.128 19.221 19.000 0.156 0.000 1.074 604 A HN 0.758 nan 8.150 nan 0.000 0.497 605 I N 3.414 123.995 120.570 0.019 0.000 2.382 605 I HA 0.202 4.422 4.170 0.082 0.000 0.285 605 I C -0.654 175.472 176.117 0.014 0.000 1.007 605 I CA -0.217 61.092 61.300 0.016 0.000 1.142 605 I CB 1.391 39.411 38.000 0.033 0.000 1.289 605 I HN 0.492 nan 8.210 nan 0.000 0.453 606 L N 7.297 128.515 121.223 -0.009 0.000 2.295 606 L HA 0.405 4.794 4.340 0.082 0.000 0.288 606 L C 0.063 177.025 176.870 0.154 0.000 1.079 606 L CA -0.311 54.579 54.840 0.084 0.000 0.830 606 L CB 0.043 42.012 42.059 -0.149 0.000 1.200 606 L HN 0.451 nan 8.230 nan 0.000 0.438 607 L N 3.587 124.944 121.223 0.224 0.000 2.475 607 L HA 0.321 4.710 4.340 0.082 0.000 0.253 607 L C 0.175 177.220 176.870 0.291 0.000 1.198 607 L CA -0.333 54.598 54.840 0.152 0.000 0.814 607 L CB 0.890 42.946 42.059 -0.005 0.000 1.134 607 L HN 0.722 nan 8.230 nan 0.000 0.478 608 N N -2.368 116.407 118.700 0.125 0.000 2.697 608 N HA 0.234 5.024 4.740 0.082 0.000 0.272 608 N C -0.607 174.875 175.510 -0.046 0.000 1.381 608 N CA -0.776 52.395 53.050 0.202 0.000 0.797 608 N CB 0.755 39.352 38.487 0.184 0.000 1.523 608 N HN 0.514 nan 8.380 nan 0.000 0.518 609 D N -1.934 118.480 120.400 0.023 0.000 2.336 609 D HA 0.025 4.714 4.640 0.082 0.000 0.229 609 D C -0.164 176.106 176.300 -0.050 0.000 1.061 609 D CA 0.565 54.520 54.000 -0.075 0.000 0.875 609 D CB -0.020 40.804 40.800 0.040 0.000 0.904 609 D HN 0.669 nan 8.370 nan 0.000 0.525 610 E N 0.207 120.391 120.200 -0.027 0.000 4.176 610 E HA 0.181 4.580 4.350 0.082 0.000 0.222 610 E C -1.175 175.413 176.600 -0.021 0.000 1.142 610 E CA -0.420 55.966 56.400 -0.023 0.000 1.400 610 E CB 0.346 30.041 29.700 -0.007 0.000 1.206 610 E HN -0.074 nan 8.360 nan 0.000 0.413 611 V N 1.577 121.469 119.914 -0.036 0.000 2.788 611 V HA 0.059 4.228 4.120 0.082 0.000 0.307 611 V C 1.029 177.107 176.094 -0.027 0.000 1.069 611 V CA 0.286 62.571 62.300 -0.026 0.000 1.173 611 V CB 0.619 32.419 31.823 -0.038 0.000 0.925 611 V HN 0.389 nan 8.190 nan 0.000 0.492 612 R N 2.960 123.445 120.500 -0.025 0.000 2.345 612 R HA 0.061 4.451 4.340 0.082 0.000 0.331 612 R C 1.599 177.879 176.300 -0.034 0.000 1.067 612 R CA 0.486 56.566 56.100 -0.032 0.000 0.962 612 R CB 0.549 30.824 30.300 -0.042 0.000 0.987 612 R HN 1.033 nan 8.270 nan 0.000 0.451 613 S N 2.610 118.291 115.700 -0.031 0.000 2.399 613 S HA -0.205 4.314 4.470 0.082 0.000 0.231 613 S C 1.990 176.573 174.600 -0.029 0.000 1.022 613 S CA 0.986 59.169 58.200 -0.028 0.000 0.983 613 S CB -0.001 63.185 63.200 -0.025 0.000 0.803 613 S HN 0.665 nan 8.310 nan 0.000 0.480 614 A N 2.358 125.158 122.820 -0.034 0.000 1.902 614 A HA -0.126 4.244 4.320 0.082 0.000 0.217 614 A C 1.976 179.530 177.584 -0.050 0.000 1.181 614 A CA 1.740 53.755 52.037 -0.038 0.000 0.623 614 A CB -0.901 18.074 19.000 -0.041 0.000 0.818 614 A HN 0.494 nan 8.150 nan 0.000 0.443 615 D N -0.464 119.897 120.400 -0.066 0.000 2.097 615 D HA -0.118 4.571 4.640 0.082 0.000 0.195 615 D C 1.834 178.104 176.300 -0.049 0.000 0.989 615 D CA 1.067 55.014 54.000 -0.090 0.000 0.827 615 D CB -0.440 40.294 40.800 -0.111 0.000 0.966 615 D HN 0.286 nan 8.370 nan 0.000 0.456 616 L N 0.460 121.665 121.223 -0.031 0.000 2.012 616 L HA -0.133 4.256 4.340 0.082 0.000 0.210 616 L C 2.270 179.137 176.870 -0.004 0.000 1.073 616 L CA 1.111 55.944 54.840 -0.011 0.000 0.748 616 L CB -0.707 41.344 42.059 -0.013 0.000 0.891 616 L HN 0.025 nan 8.230 nan 0.000 0.431 617 L N -0.563 120.653 121.223 -0.011 0.000 1.990 617 L HA -0.246 4.143 4.340 0.082 0.000 0.213 617 L C 2.497 179.368 176.870 0.001 0.000 1.072 617 L CA 2.311 57.148 54.840 -0.005 0.000 0.755 617 L CB -0.941 41.111 42.059 -0.010 0.000 0.889 617 L HN 0.292 nan 8.230 nan 0.000 0.432 618 A N -0.841 121.977 122.820 -0.003 0.000 1.930 618 A HA -0.151 4.219 4.320 0.082 0.000 0.217 618 A C 2.239 179.845 177.584 0.036 0.000 1.175 618 A CA 1.903 53.946 52.037 0.011 0.000 0.627 618 A CB -0.816 18.182 19.000 -0.004 0.000 0.815 618 A HN 0.511 nan 8.150 nan 0.000 0.443 619 I N -0.190 120.403 120.570 0.039 0.000 2.113 619 I HA -0.275 3.944 4.170 0.082 0.000 0.238 619 I C 2.400 178.546 176.117 0.049 0.000 1.070 619 I CA 1.375 62.718 61.300 0.070 0.000 1.332 619 I CB -0.401 37.643 38.000 0.074 0.000 1.044 619 I HN 0.284 nan 8.210 nan 0.000 0.402 620 L N 0.322 121.565 121.223 0.033 0.000 2.083 620 L HA -0.230 4.159 4.340 0.082 0.000 0.209 620 L C 2.662 179.544 176.870 0.019 0.000 1.083 620 L CA 1.205 56.060 54.840 0.026 0.000 0.752 620 L CB -0.820 41.252 42.059 0.022 0.000 0.899 620 L HN 0.269 nan 8.230 nan 0.000 0.433 621 K N 0.907 121.318 120.400 0.018 0.000 2.009 621 K HA -0.221 4.148 4.320 0.082 0.000 0.210 621 K C 2.125 178.733 176.600 0.013 0.000 1.049 621 K CA 1.833 58.128 56.287 0.013 0.000 0.929 621 K CB -0.164 32.344 32.500 0.013 0.000 0.714 621 K HN 0.277 nan 8.250 nan 0.000 0.440 622 A N 1.636 124.469 122.820 0.022 0.000 1.902 622 A HA -0.132 4.238 4.320 0.082 0.000 0.217 622 A C 2.374 179.962 177.584 0.006 0.000 1.181 622 A CA 1.365 53.414 52.037 0.020 0.000 0.623 622 A CB -0.598 18.426 19.000 0.040 0.000 0.818 622 A HN 0.332 nan 8.150 nan 0.000 0.443 623 L N -0.707 120.521 121.223 0.008 0.000 2.046 623 L HA -0.214 4.176 4.340 0.082 0.000 0.208 623 L C 2.671 179.521 176.870 -0.034 0.000 1.077 623 L CA 2.026 56.859 54.840 -0.011 0.000 0.747 623 L CB -0.527 41.534 42.059 0.002 0.000 0.896 623 L HN 0.505 nan 8.230 nan 0.000 0.432 624 K N 0.536 120.926 120.400 -0.018 0.000 2.063 624 K HA -0.197 4.172 4.320 0.082 0.000 0.208 624 K C 2.109 178.691 176.600 -0.030 0.000 1.048 624 K CA 1.400 57.673 56.287 -0.023 0.000 0.928 624 K CB -0.080 32.418 32.500 -0.003 0.000 0.713 624 K HN 0.265 nan 8.250 nan 0.000 0.442 625 A N 1.093 123.902 122.820 -0.019 0.000 1.972 625 A HA -0.113 4.256 4.320 0.082 0.000 0.219 625 A C 1.644 179.211 177.584 -0.029 0.000 1.169 625 A CA 1.364 53.390 52.037 -0.018 0.000 0.635 625 A CB -0.134 18.861 19.000 -0.008 0.000 0.810 625 A HN 0.179 nan 8.150 nan 0.000 0.446 626 K N -1.396 118.980 120.400 -0.039 0.000 2.358 626 K HA 0.192 4.561 4.320 0.082 0.000 0.197 626 K C 0.895 177.446 176.600 -0.082 0.000 1.025 626 K CA 0.627 56.885 56.287 -0.048 0.000 1.104 626 K CB 0.124 32.601 32.500 -0.038 0.000 0.855 626 K HN 0.690 nan 8.250 nan 0.000 0.531 627 G N 1.783 110.517 108.800 -0.110 0.000 2.221 627 G HA2 -0.228 3.782 3.960 0.082 0.000 0.265 627 G HA3 -0.228 3.782 3.960 0.082 0.000 0.265 627 G C 0.033 174.734 174.900 -0.332 0.000 1.041 627 G CA 0.202 45.189 45.100 -0.189 0.000 0.807 627 G HN 0.110 nan 8.290 nan 0.000 0.502 628 V N 2.225 121.984 119.914 -0.258 0.000 2.439 628 V HA 0.469 4.639 4.120 0.082 0.000 0.282 628 V C 0.725 176.657 176.094 -0.269 0.000 1.039 628 V CA -1.114 61.036 62.300 -0.251 0.000 0.913 628 V CB 1.289 33.055 31.823 -0.095 0.000 0.983 628 V HN 0.380 nan 8.190 nan 0.000 0.460 629 H N 2.400 121.481 119.070 0.017 0.000 2.508 629 H HA 0.786 5.391 4.556 0.082 0.000 0.358 629 H C 0.091 175.438 175.328 0.031 0.000 1.212 629 H CA -0.217 55.844 56.048 0.021 0.000 1.356 629 H CB 1.839 31.614 29.762 0.022 0.000 1.525 629 H HN 0.762 nan 8.280 nan 0.000 0.578 630 A N 1.178 124.104 122.820 0.176 0.000 2.435 630 A HA 0.527 4.896 4.320 0.082 0.000 0.304 630 A C -0.771 176.868 177.584 0.092 0.000 1.064 630 A CA -0.944 51.159 52.037 0.109 0.000 0.727 630 A CB 1.423 20.468 19.000 0.076 0.000 1.284 630 A HN 0.739 nan 8.150 nan 0.000 0.415 631 K N 2.312 122.760 120.400 0.081 0.000 2.413 631 K HA 0.667 5.036 4.320 0.082 0.000 0.257 631 K C -1.560 175.068 176.600 0.048 0.000 0.946 631 K CA -0.465 55.861 56.287 0.066 0.000 0.823 631 K CB 1.327 33.877 32.500 0.082 0.000 1.109 631 K HN 0.505 nan 8.250 nan 0.000 0.427 632 L N 5.229 126.470 121.223 0.029 0.000 2.278 632 L HA 0.362 4.751 4.340 0.082 0.000 0.287 632 L C -0.408 176.463 176.870 0.002 0.000 1.072 632 L CA -0.729 54.119 54.840 0.015 0.000 0.819 632 L CB 0.202 42.261 42.059 -0.000 0.000 1.176 632 L HN 0.519 nan 8.230 nan 0.000 0.435 633 L N 3.610 124.836 121.223 0.004 0.000 2.330 633 L HA 0.611 5.000 4.340 0.082 0.000 0.271 633 L C -0.800 175.984 176.870 -0.144 0.000 1.013 633 L CA -0.774 54.023 54.840 -0.073 0.000 0.816 633 L CB 1.881 43.915 42.059 -0.041 0.000 1.287 633 L HN 0.398 nan 8.230 nan 0.000 0.435 634 Y N -0.768 119.116 120.300 -0.694 0.000 2.744 634 Y HA 0.167 4.766 4.550 0.082 0.000 0.330 634 Y C 0.768 175.986 175.900 -1.137 0.000 1.263 634 Y CA -0.814 56.804 58.100 -0.804 0.000 1.065 634 Y CB 1.614 39.895 38.460 -0.297 0.000 1.306 634 Y HN 0.559 nan 8.280 nan 0.000 0.459 635 S N 0.820 115.679 115.700 -1.400 0.000 2.562 635 S HA 0.203 4.722 4.470 0.082 0.000 0.221 635 S C 0.113 174.439 174.600 -0.458 0.000 0.975 635 S CA 0.487 58.219 58.200 -0.778 0.000 0.918 635 S CB -0.292 62.583 63.200 -0.542 0.000 0.772 635 S HN 0.622 nan 8.310 nan 0.000 0.531 636 R N -1.412 118.875 120.500 -0.354 0.000 2.752 636 R HA 0.634 5.023 4.340 0.082 0.000 0.271 636 R C -0.851 175.445 176.300 -0.007 0.000 1.026 636 R CA -1.107 54.927 56.100 -0.110 0.000 0.901 636 R CB 0.534 30.815 30.300 -0.032 0.000 1.243 636 R HN -0.064 nan 8.270 nan 0.000 0.463 637 M N -0.009 119.591 119.600 0.000 0.000 2.310 637 M HA 0.542 5.071 4.480 0.082 0.000 0.241 637 M C 1.010 177.328 176.300 0.030 0.000 1.162 637 M CA 0.767 56.073 55.300 0.010 0.000 0.958 637 M CB 0.508 33.105 32.600 -0.006 0.000 1.348 637 M HN 1.050 nan 8.290 nan 0.000 0.541 638 G N 0.713 109.520 108.800 0.012 0.000 2.662 638 G HA2 -0.143 3.866 3.960 0.082 0.000 0.236 638 G HA3 -0.143 3.866 3.960 0.082 0.000 0.236 638 G C -0.784 174.111 174.900 -0.007 0.000 1.212 638 G CA -0.388 44.716 45.100 0.007 0.000 0.968 638 G HN 0.619 nan 8.290 nan 0.000 0.576 639 E N -1.010 119.179 120.200 -0.018 0.000 2.393 639 E HA 0.613 5.012 4.350 0.082 0.000 0.273 639 E C -0.504 176.036 176.600 -0.100 0.000 0.918 639 E CA -0.484 55.884 56.400 -0.053 0.000 0.773 639 E CB 2.963 32.639 29.700 -0.040 0.000 1.275 639 E HN 1.245 nan 8.360 nan 0.000 0.451 640 V N -1.642 118.177 119.914 -0.158 0.000 2.914 640 V HA 0.714 4.884 4.120 0.082 0.000 0.314 640 V C -0.555 175.454 176.094 -0.141 0.000 1.084 640 V CA -0.685 61.481 62.300 -0.224 0.000 0.963 640 V CB 1.929 33.484 31.823 -0.448 0.000 1.025 640 V HN 0.621 nan 8.190 nan 0.000 0.432 641 T N 3.080 117.566 114.554 -0.114 0.000 2.779 641 T HA 0.774 5.173 4.350 0.082 0.000 0.280 641 T C 0.424 175.081 174.700 -0.071 0.000 0.987 641 T CA 0.277 62.332 62.100 -0.075 0.000 0.966 641 T CB 1.344 70.181 68.868 -0.051 0.000 0.933 641 T HN 1.364 nan 8.240 nan 0.000 0.442 642 A N 2.458 125.242 122.820 -0.060 0.000 2.325 642 A HA 0.301 4.670 4.320 0.082 0.000 0.260 642 A C 1.580 179.141 177.584 -0.037 0.000 1.133 642 A CA -0.215 51.792 52.037 -0.050 0.000 0.801 642 A CB 0.007 18.982 19.000 -0.042 0.000 1.092 642 A HN 0.900 nan 8.150 nan 0.000 0.504 643 D N -0.443 119.939 120.400 -0.031 0.000 2.263 643 D HA -0.169 4.520 4.640 0.082 0.000 0.208 643 D C 0.589 176.876 176.300 -0.022 0.000 0.971 643 D CA 1.455 55.440 54.000 -0.024 0.000 0.867 643 D CB -0.259 40.528 40.800 -0.022 0.000 0.929 643 D HN 0.591 nan 8.370 nan 0.000 0.492 644 D N -1.385 119.001 120.400 -0.023 0.000 2.368 644 D HA 0.198 4.887 4.640 0.082 0.000 0.218 644 D C 1.608 177.897 176.300 -0.019 0.000 1.112 644 D CA 0.348 54.337 54.000 -0.019 0.000 0.834 644 D CB -0.036 40.753 40.800 -0.018 0.000 0.953 644 D HN 0.330 nan 8.370 nan 0.000 0.505 645 G N -0.068 108.719 108.800 -0.022 0.000 2.175 645 G HA2 -0.264 3.746 3.960 0.082 0.000 0.244 645 G HA3 -0.264 3.746 3.960 0.082 0.000 0.244 645 G C 0.405 175.290 174.900 -0.024 0.000 0.982 645 G CA 0.216 45.303 45.100 -0.021 0.000 0.641 645 G HN 0.419 nan 8.290 nan 0.000 0.527 646 T N 1.635 116.173 114.554 -0.025 0.000 2.829 646 T HA 0.400 4.800 4.350 0.082 0.000 0.293 646 T C 0.687 175.366 174.700 -0.034 0.000 0.970 646 T CA 0.170 62.254 62.100 -0.026 0.000 1.168 646 T CB 1.848 70.701 68.868 -0.025 0.000 0.911 646 T HN 0.474 nan 8.240 nan 0.000 0.535 647 V N 6.364 126.259 119.914 -0.031 0.000 2.408 647 V HA 0.259 4.428 4.120 0.082 0.000 0.267 647 V C 0.280 176.350 176.094 -0.039 0.000 1.047 647 V CA -0.456 61.822 62.300 -0.037 0.000 0.937 647 V CB 0.326 32.132 31.823 -0.028 0.000 0.999 647 V HN 0.691 nan 8.190 nan 0.000 0.472 648 L N 8.321 129.511 121.223 -0.056 0.000 2.280 648 L HA 0.464 4.854 4.340 0.082 0.000 0.287 648 L C -2.393 174.442 176.870 -0.057 0.000 1.023 648 L CA -1.835 52.972 54.840 -0.055 0.000 0.819 648 L CB 1.867 43.883 42.059 -0.072 0.000 1.212 648 L HN 0.419 nan 8.230 nan 0.000 0.420 649 P HA 0.223 nan 4.420 nan 0.000 0.276 649 P C -0.495 176.788 177.300 -0.029 0.000 1.230 649 P CA -0.076 63.007 63.100 -0.028 0.000 0.776 649 P CB 0.767 32.458 31.700 -0.015 0.000 0.888 650 I N 2.061 122.616 120.570 -0.025 0.000 2.342 650 I HA 0.203 4.422 4.170 0.082 0.000 0.291 650 I C 1.540 177.650 176.117 -0.011 0.000 1.010 650 I CA -0.290 60.998 61.300 -0.020 0.000 1.308 650 I CB 1.306 39.303 38.000 -0.004 0.000 1.400 650 I HN 0.377 nan 8.210 nan 0.000 0.488 651 A N 5.358 128.174 122.820 -0.007 0.000 1.929 651 A HA 0.467 4.836 4.320 0.082 0.000 0.216 651 A C 1.008 178.593 177.584 0.002 0.000 1.176 651 A CA 1.407 53.446 52.037 0.003 0.000 0.628 651 A CB -0.038 18.971 19.000 0.016 0.000 0.816 651 A HN 0.855 nan 8.150 nan 0.000 0.444 652 A N -2.442 120.371 122.820 -0.012 0.000 2.544 652 A HA 0.551 4.921 4.320 0.082 0.000 0.291 652 A C -0.067 177.470 177.584 -0.078 0.000 1.055 652 A CA 0.054 52.081 52.037 -0.017 0.000 0.651 652 A CB -0.366 18.648 19.000 0.025 0.000 1.296 652 A HN 0.833 nan 8.150 nan 0.000 0.431 653 T N -1.515 112.985 114.554 -0.089 0.000 2.847 653 T HA 0.580 4.979 4.350 0.082 0.000 0.279 653 T C 0.980 175.620 174.700 -0.100 0.000 0.984 653 T CA 0.111 62.083 62.100 -0.213 0.000 0.988 653 T CB 0.108 68.889 68.868 -0.145 0.000 1.040 653 T HN 0.509 nan 8.240 nan 0.000 0.528 654 F N 0.575 120.550 119.950 0.042 0.000 2.095 654 F HA -0.028 4.549 4.527 0.082 0.000 0.298 654 F C 2.989 178.930 175.800 0.235 0.000 1.104 654 F CA 1.113 59.196 58.000 0.138 0.000 1.232 654 F CB -0.758 38.294 39.000 0.086 0.000 0.987 654 F HN 0.703 nan 8.300 nan 0.000 0.475 655 A N 0.402 123.392 122.820 0.283 0.000 1.968 655 A HA 0.015 4.384 4.320 0.082 0.000 0.217 655 A C 2.454 180.112 177.584 0.122 0.000 1.169 655 A CA 1.464 53.608 52.037 0.178 0.000 0.638 655 A CB -1.485 17.576 19.000 0.103 0.000 0.812 655 A HN 0.402 nan 8.150 nan 0.000 0.446 656 G N -0.651 108.206 108.800 0.095 0.000 2.408 656 G HA2 0.219 4.228 3.960 0.082 0.000 0.217 656 G HA3 0.219 4.228 3.960 0.082 0.000 0.217 656 G C 0.718 175.669 174.900 0.085 0.000 1.150 656 G CA 1.038 46.176 45.100 0.063 0.000 0.776 656 G HN 1.127 nan 8.290 nan 0.000 0.542 657 A N 0.720 123.626 122.820 0.143 0.000 3.030 657 A HA 0.705 5.074 4.320 0.082 0.000 0.335 657 A C -2.614 175.115 177.584 0.242 0.000 1.089 657 A CA -1.192 50.942 52.037 0.162 0.000 0.807 657 A CB 1.187 20.281 19.000 0.157 0.000 1.099 657 A HN 0.106 nan 8.150 nan 0.000 0.474 658 P HA -0.032 nan 4.420 nan 0.000 0.270 658 P C 1.411 178.533 177.300 -0.296 0.000 1.221 658 P CA 0.614 63.655 63.100 -0.098 0.000 0.788 658 P CB 0.675 32.313 31.700 -0.103 0.000 0.904 659 S N 0.952 116.114 115.700 -0.897 0.000 2.440 659 S HA -0.170 4.349 4.470 0.082 0.000 0.238 659 S C 1.773 176.228 174.600 -0.243 0.000 1.010 659 S CA 1.161 58.975 58.200 -0.644 0.000 0.972 659 S CB -1.363 61.390 63.200 -0.745 0.000 0.774 659 S HN 0.338 nan 8.310 nan 0.000 0.501 660 L N 1.846 122.934 121.223 -0.224 0.000 2.089 660 L HA -0.129 4.260 4.340 0.082 0.000 0.213 660 L C 3.030 179.738 176.870 -0.269 0.000 1.079 660 L CA 1.778 56.483 54.840 -0.226 0.000 0.758 660 L CB -1.646 40.253 42.059 -0.266 0.000 0.891 660 L HN 0.642 nan 8.230 nan 0.000 0.433 661 T N -3.051 111.415 114.554 -0.147 0.000 3.148 661 T HA 0.178 4.577 4.350 0.082 0.000 0.253 661 T C 0.438 175.240 174.700 0.171 0.000 1.134 661 T CA 0.251 62.364 62.100 0.020 0.000 1.051 661 T CB -0.474 68.488 68.868 0.157 0.000 0.959 661 T HN 0.193 nan 8.240 nan 0.000 0.525 662 V N -2.623 117.347 119.914 0.092 0.000 3.158 662 V HA 0.580 4.749 4.120 0.082 0.000 0.315 662 V C -0.097 176.041 176.094 0.073 0.000 1.148 662 V CA -0.955 61.420 62.300 0.125 0.000 1.042 662 V CB 2.090 34.001 31.823 0.147 0.000 1.101 662 V HN -0.012 nan 8.190 nan 0.000 0.448 663 D N 0.761 121.206 120.400 0.075 0.000 2.366 663 D HA 0.508 5.198 4.640 0.082 0.000 0.205 663 D C 0.540 176.824 176.300 -0.026 0.000 1.022 663 D CA 1.436 55.453 54.000 0.028 0.000 0.868 663 D CB 1.525 42.364 40.800 0.064 0.000 0.953 663 D HN 0.980 nan 8.370 nan 0.000 0.514 664 A N 0.073 122.895 122.820 0.003 0.000 2.586 664 A HA 0.547 4.917 4.320 0.082 0.000 0.290 664 A C -1.611 175.991 177.584 0.031 0.000 1.086 664 A CA -0.549 51.477 52.037 -0.019 0.000 0.665 664 A CB 1.476 20.451 19.000 -0.042 0.000 1.279 664 A HN -0.112 nan 8.150 nan 0.000 0.423 665 V N 0.966 120.890 119.914 0.018 0.000 2.588 665 V HA 0.573 4.743 4.120 0.082 0.000 0.304 665 V C -0.712 175.388 176.094 0.009 0.000 1.042 665 V CA -0.194 62.130 62.300 0.040 0.000 0.877 665 V CB 1.498 33.364 31.823 0.072 0.000 0.996 665 V HN 0.694 nan 8.190 nan 0.000 0.425 666 I N 4.151 124.733 120.570 0.020 0.000 2.465 666 I HA 0.556 4.775 4.170 0.082 0.000 0.291 666 I C -0.827 175.312 176.117 0.036 0.000 1.014 666 I CA -0.928 60.411 61.300 0.065 0.000 1.093 666 I CB 2.319 40.391 38.000 0.119 0.000 1.267 666 I HN 0.292 nan 8.210 nan 0.000 0.431 667 V N 7.617 127.568 119.914 0.062 0.000 2.325 667 V HA 0.329 4.499 4.120 0.082 0.000 0.280 667 V C -2.136 174.003 176.094 0.075 0.000 1.016 667 V CA -1.587 60.729 62.300 0.027 0.000 0.818 667 V CB 1.129 32.928 31.823 -0.040 0.000 1.019 667 V HN 0.552 nan 8.190 nan 0.000 0.434 668 P HA 0.203 nan 4.420 nan 0.000 0.274 668 P C 0.144 177.453 177.300 0.015 0.000 1.246 668 P CA -0.237 62.865 63.100 0.004 0.000 0.795 668 P CB 1.158 32.856 31.700 -0.003 0.000 1.006 669 C N 0.143 119.429 119.300 -0.024 0.000 2.480 669 C HA 0.780 5.289 4.460 0.082 0.000 0.344 669 C C 1.216 176.208 174.990 0.004 0.000 1.380 669 C CA 1.442 60.457 59.018 -0.005 0.000 2.386 669 C CB -0.444 27.273 27.740 -0.037 0.000 2.210 669 C HN 0.920 nan 8.230 nan 0.000 0.640 670 G N 1.695 110.500 108.800 0.008 0.000 2.295 670 G HA2 0.016 4.026 3.960 0.082 0.000 0.155 670 G HA3 0.016 4.026 3.960 0.082 0.000 0.155 670 G C -0.989 173.922 174.900 0.019 0.000 1.307 670 G CA -0.039 45.066 45.100 0.008 0.000 1.140 670 G HN 0.874 nan 8.290 nan 0.000 0.470 671 N N 1.905 120.623 118.700 0.030 0.000 2.739 671 N HA 0.254 5.044 4.740 0.082 0.000 0.266 671 N C 1.635 177.180 175.510 0.059 0.000 1.168 671 N CA -0.437 52.635 53.050 0.036 0.000 1.055 671 N CB -0.152 38.359 38.487 0.040 0.000 1.393 671 N HN 0.377 nan 8.380 nan 0.000 0.514 672 I N 1.228 121.822 120.570 0.041 0.000 2.493 672 I HA -0.166 4.054 4.170 0.082 0.000 0.254 672 I C 2.021 178.141 176.117 0.004 0.000 1.160 672 I CA 0.578 61.903 61.300 0.043 0.000 1.445 672 I CB -1.443 36.554 38.000 -0.006 0.000 1.086 672 I HN 0.483 nan 8.210 nan 0.000 0.433 673 A N 0.801 123.616 122.820 -0.008 0.000 1.978 673 A HA -0.291 4.078 4.320 0.082 0.000 0.220 673 A C 2.099 179.699 177.584 0.026 0.000 1.170 673 A CA 2.158 54.187 52.037 -0.014 0.000 0.636 673 A CB -0.715 18.279 19.000 -0.010 0.000 0.810 673 A HN 0.416 nan 8.150 nan 0.000 0.448 674 D N 0.369 120.811 120.400 0.070 0.000 2.104 674 D HA -0.167 4.522 4.640 0.082 0.000 0.194 674 D C 1.556 177.935 176.300 0.132 0.000 0.994 674 D CA 1.903 55.972 54.000 0.115 0.000 0.830 674 D CB -0.217 40.691 40.800 0.181 0.000 0.959 674 D HN 0.650 nan 8.370 nan 0.000 0.452 675 I N -3.763 116.907 120.570 0.166 0.000 4.082 675 I HA 0.489 4.709 4.170 0.082 0.000 0.337 675 I C 1.845 178.077 176.117 0.191 0.000 1.352 675 I CA -0.071 61.350 61.300 0.201 0.000 1.097 675 I CB 0.236 38.411 38.000 0.291 0.000 1.048 675 I HN -0.086 nan 8.210 nan 0.000 0.393 676 A N 1.784 124.618 122.820 0.024 0.000 1.940 676 A HA -0.174 4.195 4.320 0.082 0.000 0.219 676 A C 1.633 179.160 177.584 -0.094 0.000 1.176 676 A CA 2.101 54.008 52.037 -0.217 0.000 0.631 676 A CB -0.483 18.354 19.000 -0.271 0.000 0.814 676 A HN 0.534 nan 8.150 nan 0.000 0.446 677 D N -0.568 119.822 120.400 -0.017 0.000 2.363 677 D HA 0.020 4.709 4.640 0.082 0.000 0.214 677 D C 0.040 176.363 176.300 0.038 0.000 1.093 677 D CA -0.180 53.822 54.000 0.002 0.000 0.837 677 D CB -0.257 40.538 40.800 -0.008 0.000 0.948 677 D HN 0.343 nan 8.370 nan 0.000 0.507 678 N N 1.299 120.040 118.700 0.068 0.000 2.420 678 N HA 0.012 4.801 4.740 0.082 0.000 0.262 678 N C 1.377 176.926 175.510 0.065 0.000 1.144 678 N CA 0.049 53.141 53.050 0.070 0.000 0.952 678 N CB 1.417 39.959 38.487 0.090 0.000 1.081 678 N HN 0.002 nan 8.380 nan 0.000 0.480 679 G N 3.512 112.348 108.800 0.060 0.000 2.440 679 G HA2 -0.275 3.734 3.960 0.082 0.000 0.218 679 G HA3 -0.275 3.734 3.960 0.082 0.000 0.218 679 G C 0.981 175.936 174.900 0.092 0.000 1.154 679 G CA 0.629 45.768 45.100 0.064 0.000 0.767 679 G HN 0.592 nan 8.290 nan 0.000 0.552 680 D N 0.807 121.268 120.400 0.102 0.000 2.117 680 D HA 0.019 4.708 4.640 0.082 0.000 0.198 680 D C 2.810 179.127 176.300 0.028 0.000 0.982 680 D CA 1.172 55.267 54.000 0.159 0.000 0.828 680 D CB -0.457 40.498 40.800 0.258 0.000 0.967 680 D HN 0.307 nan 8.370 nan 0.000 0.464 681 A N 0.987 123.652 122.820 -0.258 0.000 1.898 681 A HA -0.179 4.190 4.320 0.082 0.000 0.216 681 A C 2.019 179.416 177.584 -0.311 0.000 1.181 681 A CA 1.222 52.848 52.037 -0.686 0.000 0.620 681 A CB -0.463 18.040 19.000 -0.827 0.000 0.819 681 A HN 0.158 nan 8.150 nan 0.000 0.442 682 N N -1.516 117.158 118.700 -0.043 0.000 2.084 682 N HA -0.183 4.607 4.740 0.082 0.000 0.190 682 N C 1.721 177.236 175.510 0.010 0.000 1.030 682 N CA 1.780 54.858 53.050 0.048 0.000 0.849 682 N CB -0.439 38.132 38.487 0.140 0.000 1.012 682 N HN 0.672 nan 8.380 nan 0.000 0.423 683 Y N 0.642 120.920 120.300 -0.036 0.000 2.274 683 Y HA -0.267 4.332 4.550 0.082 0.000 0.290 683 Y C 2.361 178.229 175.900 -0.054 0.000 1.145 683 Y CA 1.229 59.304 58.100 -0.041 0.000 1.203 683 Y CB -0.337 38.104 38.460 -0.030 0.000 0.984 683 Y HN 0.049 nan 8.280 nan 0.000 0.533 684 Y N 0.283 120.465 120.300 -0.197 0.000 2.114 684 Y HA -0.326 4.273 4.550 0.082 0.000 0.282 684 Y C 2.073 177.784 175.900 -0.315 0.000 1.165 684 Y CA 2.147 60.101 58.100 -0.244 0.000 1.148 684 Y CB -0.438 37.877 38.460 -0.240 0.000 0.972 684 Y HN 0.123 nan 8.280 nan 0.000 0.504 685 L N -1.136 120.022 121.223 -0.107 0.000 2.109 685 L HA -0.242 4.147 4.340 0.082 0.000 0.207 685 L C 2.379 179.139 176.870 -0.183 0.000 1.086 685 L CA 1.266 56.023 54.840 -0.138 0.000 0.760 685 L CB -0.477 41.468 42.059 -0.189 0.000 0.910 685 L HN 0.288 nan 8.230 nan 0.000 0.437 686 M N -0.706 118.725 119.600 -0.281 0.000 2.175 686 M HA -0.207 4.322 4.480 0.082 0.000 0.264 686 M C 2.215 178.263 176.300 -0.419 0.000 1.063 686 M CA 1.615 56.738 55.300 -0.295 0.000 1.119 686 M CB -0.324 32.099 32.600 -0.295 0.000 1.377 686 M HN 0.219 nan 8.290 nan 0.000 0.415 687 E N 0.624 120.397 120.200 -0.711 0.000 2.047 687 E HA -0.159 4.241 4.350 0.082 0.000 0.191 687 E C 2.038 178.285 176.600 -0.588 0.000 0.987 687 E CA 1.195 57.138 56.400 -0.761 0.000 0.799 687 E CB 0.033 29.262 29.700 -0.785 0.000 0.752 687 E HN 0.456 nan 8.360 nan 0.000 0.449 688 A N 0.359 122.953 122.820 -0.377 0.000 1.908 688 A HA -0.220 4.150 4.320 0.082 0.000 0.218 688 A C 2.035 179.517 177.584 -0.171 0.000 1.181 688 A CA 1.525 53.432 52.037 -0.217 0.000 0.627 688 A CB -0.927 18.001 19.000 -0.121 0.000 0.818 688 A HN 0.549 nan 8.150 nan 0.000 0.445 689 Y N 0.522 120.666 120.300 -0.259 0.000 2.114 689 Y HA -0.223 4.377 4.550 0.082 0.000 0.284 689 Y C 2.433 178.210 175.900 -0.206 0.000 1.143 689 Y CA 2.403 60.380 58.100 -0.205 0.000 1.135 689 Y CB -0.244 38.111 38.460 -0.176 0.000 0.980 689 Y HN 0.320 nan 8.280 nan 0.000 0.499 690 K N -0.600 119.683 120.400 -0.195 0.000 2.103 690 K HA -0.227 4.142 4.320 0.082 0.000 0.207 690 K C 1.054 177.534 176.600 -0.200 0.000 1.048 690 K CA 2.040 58.185 56.287 -0.237 0.000 0.930 690 K CB -0.465 31.848 32.500 -0.312 0.000 0.716 690 K HN 0.584 nan 8.250 nan 0.000 0.444 691 H N 0.509 119.460 119.070 -0.199 0.000 2.555 691 H HA 0.170 4.776 4.556 0.082 0.000 0.283 691 H C -0.066 175.100 175.328 -0.271 0.000 1.037 691 H CA 0.099 56.024 56.048 -0.205 0.000 1.169 691 H CB 0.003 29.641 29.762 -0.206 0.000 1.375 691 H HN 0.133 nan 8.280 nan 0.000 0.582 692 L N -0.077 120.999 121.223 -0.245 0.000 4.040 692 L HA -0.284 4.105 4.340 0.082 0.000 0.410 692 L C -0.325 176.289 176.870 -0.428 0.000 1.187 692 L CA 0.627 55.232 54.840 -0.392 0.000 0.956 692 L CB -1.717 40.091 42.059 -0.418 0.000 2.022 692 L HN 0.313 nan 8.230 nan 0.000 0.897 693 K N 0.691 120.905 120.400 -0.311 0.000 2.143 693 K HA 0.479 4.848 4.320 0.082 0.000 0.272 693 K C -2.152 174.316 176.600 -0.221 0.000 1.001 693 K CA -1.793 54.332 56.287 -0.270 0.000 0.915 693 K CB 0.795 33.189 32.500 -0.178 0.000 1.047 693 K HN -0.212 nan 8.250 nan 0.000 0.458 694 P HA 0.042 nan 4.420 nan 0.000 0.267 694 P C -0.810 176.426 177.300 -0.107 0.000 1.205 694 P CA 0.363 63.364 63.100 -0.165 0.000 0.765 694 P CB 0.412 32.012 31.700 -0.168 0.000 0.828 695 I N 2.095 122.617 120.570 -0.081 0.000 2.465 695 I HA 0.616 4.835 4.170 0.082 0.000 0.291 695 I C -0.229 175.846 176.117 -0.069 0.000 1.014 695 I CA -0.793 60.479 61.300 -0.047 0.000 1.093 695 I CB 2.114 40.113 38.000 -0.002 0.000 1.267 695 I HN 0.264 nan 8.210 nan 0.000 0.431 696 A N 7.694 130.483 122.820 -0.051 0.000 2.343 696 A HA 0.869 5.238 4.320 0.082 0.000 0.308 696 A C -1.100 176.602 177.584 0.197 0.000 1.092 696 A CA -0.437 51.560 52.037 -0.067 0.000 0.751 696 A CB 0.955 19.757 19.000 -0.329 0.000 1.203 696 A HN 0.664 nan 8.150 nan 0.000 0.452 697 L N 2.253 123.649 121.223 0.288 0.000 2.349 697 L HA 0.725 5.114 4.340 0.082 0.000 0.278 697 L C 0.284 177.342 176.870 0.313 0.000 0.996 697 L CA -0.562 54.440 54.840 0.270 0.000 0.825 697 L CB 1.966 44.131 42.059 0.177 0.000 1.243 697 L HN 0.783 nan 8.230 nan 0.000 0.412 698 A N 2.254 125.151 122.820 0.127 0.000 2.324 698 A HA 0.845 5.214 4.320 0.082 0.000 0.330 698 A C 0.681 178.243 177.584 -0.037 0.000 1.165 698 A CA 0.302 52.282 52.037 -0.096 0.000 0.813 698 A CB 1.186 19.957 19.000 -0.383 0.000 1.197 698 A HN 0.979 nan 8.150 nan 0.000 0.484 699 G N 1.920 110.692 108.800 -0.047 0.000 2.651 699 G HA2 -0.362 3.648 3.960 0.082 0.000 0.315 699 G HA3 -0.362 3.648 3.960 0.082 0.000 0.315 699 G C 0.528 175.428 174.900 0.001 0.000 1.258 699 G CA 1.026 46.109 45.100 -0.028 0.000 1.002 699 G HN 0.718 nan 8.290 nan 0.000 0.551 700 D N 1.392 121.791 120.400 -0.003 0.000 2.350 700 D HA 0.270 4.960 4.640 0.082 0.000 0.216 700 D C 2.562 178.869 176.300 0.011 0.000 0.968 700 D CA 1.545 55.540 54.000 -0.008 0.000 0.894 700 D CB -0.596 40.191 40.800 -0.021 0.000 0.909 700 D HN 0.771 nan 8.370 nan 0.000 0.520 701 A N 0.474 123.342 122.820 0.080 0.000 2.070 701 A HA -0.168 4.202 4.320 0.082 0.000 0.220 701 A C 2.034 179.748 177.584 0.216 0.000 1.159 701 A CA 0.811 52.979 52.037 0.218 0.000 0.656 701 A CB -0.343 18.785 19.000 0.214 0.000 0.800 701 A HN 0.139 nan 8.150 nan 0.000 0.453 702 R N -0.370 120.194 120.500 0.108 0.000 2.241 702 R HA -0.067 4.322 4.340 0.082 0.000 0.224 702 R C 1.421 177.745 176.300 0.038 0.000 1.101 702 R CA 0.914 57.064 56.100 0.084 0.000 0.995 702 R CB -0.080 30.253 30.300 0.055 0.000 0.870 702 R HN 0.259 nan 8.270 nan 0.000 0.463 703 K N 0.066 120.448 120.400 -0.030 0.000 2.280 703 K HA -0.104 4.265 4.320 0.082 0.000 0.202 703 K C 1.486 177.991 176.600 -0.157 0.000 1.047 703 K CA 1.136 57.350 56.287 -0.122 0.000 0.942 703 K CB -0.185 32.190 32.500 -0.208 0.000 0.739 703 K HN 0.244 nan 8.250 nan 0.000 0.457 704 F N 1.416 121.342 119.950 -0.040 0.000 2.546 704 F HA -0.088 4.488 4.527 0.082 0.000 0.298 704 F C 2.035 177.789 175.800 -0.077 0.000 1.120 704 F CA 0.745 58.710 58.000 -0.058 0.000 1.456 704 F CB 0.017 38.982 39.000 -0.058 0.000 1.088 704 F HN -0.008 nan 8.300 nan 0.000 0.572 705 K N 0.275 120.726 120.400 0.084 0.000 2.103 705 K HA -0.213 4.156 4.320 0.082 0.000 0.207 705 K C 2.335 178.908 176.600 -0.045 0.000 1.048 705 K CA 1.177 57.463 56.287 -0.001 0.000 0.930 705 K CB -0.395 32.101 32.500 -0.006 0.000 0.716 705 K HN 0.256 nan 8.250 nan 0.000 0.444 706 A N 0.892 123.691 122.820 -0.035 0.000 1.940 706 A HA -0.191 4.178 4.320 0.082 0.000 0.219 706 A C 2.160 179.715 177.584 -0.049 0.000 1.176 706 A CA 2.180 54.188 52.037 -0.048 0.000 0.631 706 A CB -1.007 17.962 19.000 -0.050 0.000 0.814 706 A HN 0.307 nan 8.150 nan 0.000 0.446 707 T N 0.875 115.418 114.554 -0.019 0.000 2.759 707 T HA -0.114 4.285 4.350 0.082 0.000 0.269 707 T C 1.389 176.035 174.700 -0.091 0.000 1.042 707 T CA 1.463 63.554 62.100 -0.014 0.000 1.140 707 T CB -0.583 68.325 68.868 0.067 0.000 0.864 707 T HN 0.742 nan 8.240 nan 0.000 0.455 708 I N -1.655 118.810 120.570 -0.176 0.000 3.837 708 I HA 0.441 4.660 4.170 0.082 0.000 0.332 708 I C -0.359 175.548 176.117 -0.351 0.000 1.484 708 I CA -0.770 60.302 61.300 -0.379 0.000 1.223 708 I CB -0.445 37.134 38.000 -0.701 0.000 1.257 708 I HN -0.214 nan 8.210 nan 0.000 0.421 709 K N 2.215 122.507 120.400 -0.180 0.000 4.576 709 K HA -0.100 4.269 4.320 0.082 0.000 0.270 709 K C -0.957 175.570 176.600 -0.123 0.000 0.714 709 K CA 0.809 57.026 56.287 -0.115 0.000 0.670 709 K CB -1.123 31.334 32.500 -0.071 0.000 2.044 709 K HN 0.731 nan 8.250 nan 0.000 0.394 710 I N 0.122 120.618 120.570 -0.124 0.000 2.715 710 I HA 0.426 4.645 4.170 0.082 0.000 0.288 710 I C -0.886 175.204 176.117 -0.044 0.000 1.371 710 I CA 0.432 61.683 61.300 -0.081 0.000 1.056 710 I CB 1.527 39.446 38.000 -0.136 0.000 1.339 710 I HN 0.563 nan 8.210 nan 0.000 0.425 711 A N 4.367 127.180 122.820 -0.012 0.000 3.424 711 A HA -0.193 4.176 4.320 0.082 0.000 0.648 711 A C -0.117 177.462 177.584 -0.009 0.000 0.793 711 A CA 1.430 53.465 52.037 -0.002 0.000 0.762 711 A CB -0.857 18.149 19.000 0.009 0.000 3.582 711 A HN 0.896 nan 8.150 nan 0.000 0.543 712 D N -0.474 119.924 120.400 -0.003 0.000 3.084 712 D HA 0.079 4.769 4.640 0.082 0.000 0.294 712 D C 1.908 178.209 176.300 0.001 0.000 1.165 712 D CA 0.498 54.496 54.000 -0.004 0.000 1.008 712 D CB -0.275 40.523 40.800 -0.003 0.000 1.266 712 D HN 0.522 nan 8.370 nan 0.000 0.449 713 Q N 0.655 120.458 119.800 0.004 0.000 1.942 713 Q HA 0.179 4.569 4.340 0.082 0.000 0.203 713 Q C 1.069 177.075 176.000 0.010 0.000 0.987 713 Q CA 1.536 57.343 55.803 0.007 0.000 0.844 713 Q CB -0.430 28.312 28.738 0.007 0.000 0.911 713 Q HN 0.330 nan 8.270 nan 0.000 0.423 714 G N -0.533 108.273 108.800 0.010 0.000 2.495 714 G HA2 0.418 4.427 3.960 0.082 0.000 0.294 714 G HA3 0.418 4.427 3.960 0.082 0.000 0.294 714 G C -1.932 172.975 174.900 0.012 0.000 1.397 714 G CA -0.528 44.579 45.100 0.011 0.000 0.790 714 G HN 0.093 nan 8.290 nan 0.000 0.486 715 E N -0.177 120.032 120.200 0.013 0.000 2.321 715 E HA 0.381 4.780 4.350 0.082 0.000 0.278 715 E C -0.873 175.728 176.600 0.002 0.000 0.902 715 E CA -0.566 55.845 56.400 0.018 0.000 0.758 715 E CB 1.866 31.595 29.700 0.047 0.000 1.213 715 E HN 0.469 nan 8.360 nan 0.000 0.426 716 E N 1.805 121.998 120.200 -0.011 0.000 2.493 716 E HA 0.274 4.674 4.350 0.082 0.000 0.255 716 E C 0.696 177.261 176.600 -0.059 0.000 0.999 716 E CA 1.282 57.659 56.400 -0.037 0.000 0.934 716 E CB 0.618 30.294 29.700 -0.040 0.000 0.940 716 E HN 0.843 nan 8.360 nan 0.000 0.473 717 G N 3.203 111.954 108.800 -0.081 0.000 2.253 717 G HA2 -0.184 3.825 3.960 0.082 0.000 0.209 717 G HA3 -0.184 3.825 3.960 0.082 0.000 0.209 717 G C -0.012 174.840 174.900 -0.080 0.000 0.997 717 G CA -0.599 44.433 45.100 -0.114 0.000 0.640 717 G HN 0.418 nan 8.290 nan 0.000 0.496 718 I N 2.400 122.946 120.570 -0.040 0.000 2.382 718 I HA 0.508 4.727 4.170 0.082 0.000 0.285 718 I C 0.399 176.481 176.117 -0.059 0.000 1.007 718 I CA -1.202 60.084 61.300 -0.024 0.000 1.142 718 I CB 1.201 39.217 38.000 0.026 0.000 1.289 718 I HN -0.088 nan 8.210 nan 0.000 0.453 719 V N 7.295 127.135 119.914 -0.123 0.000 2.465 719 V HA 0.418 4.587 4.120 0.082 0.000 0.279 719 V C 0.256 176.314 176.094 -0.060 0.000 1.045 719 V CA -0.456 61.727 62.300 -0.196 0.000 0.938 719 V CB 1.316 32.845 31.823 -0.490 0.000 0.986 719 V HN 0.869 nan 8.190 nan 0.000 0.467 720 E N 3.996 124.237 120.200 0.067 0.000 2.366 720 E HA 0.882 5.281 4.350 0.082 0.000 0.278 720 E C -1.016 175.743 176.600 0.265 0.000 0.923 720 E CA -0.989 55.544 56.400 0.221 0.000 0.761 720 E CB 2.605 32.376 29.700 0.118 0.000 1.231 720 E HN 0.819 nan 8.360 nan 0.000 0.443 721 A N 1.766 124.746 122.820 0.266 0.000 2.566 721 A HA 0.365 4.734 4.320 0.082 0.000 0.290 721 A C -0.628 176.974 177.584 0.029 0.000 1.071 721 A CA -0.606 51.522 52.037 0.150 0.000 0.658 721 A CB 1.202 20.331 19.000 0.215 0.000 1.285 721 A HN 0.599 nan 8.150 nan 0.000 0.427 722 D N 0.530 120.928 120.400 -0.003 0.000 2.219 722 D HA 0.057 4.746 4.640 0.082 0.000 0.205 722 D C 1.048 177.294 176.300 -0.089 0.000 0.970 722 D CA 2.247 56.227 54.000 -0.033 0.000 0.851 722 D CB 0.074 40.861 40.800 -0.023 0.000 0.943 722 D HN 0.787 nan 8.370 nan 0.000 0.488 723 S N -1.509 114.102 115.700 -0.148 0.000 2.638 723 S HA 0.704 5.223 4.470 0.082 0.000 0.274 723 S C -0.933 173.376 174.600 -0.485 0.000 1.157 723 S CA -0.964 57.092 58.200 -0.241 0.000 0.826 723 S CB 2.130 65.241 63.200 -0.149 0.000 1.139 723 S HN 0.012 nan 8.310 nan 0.000 0.474 724 A N 1.779 124.241 122.820 -0.596 0.000 2.343 724 A HA 0.611 4.981 4.320 0.082 0.000 0.305 724 A C -0.139 177.274 177.584 -0.285 0.000 1.308 724 A CA -0.304 51.209 52.037 -0.873 0.000 0.949 724 A CB -1.079 17.538 19.000 -0.638 0.000 1.148 724 A HN 0.883 nan 8.150 nan 0.000 0.545 725 D N 1.391 121.732 120.400 -0.098 0.000 2.712 725 D HA 0.544 5.233 4.640 0.082 0.000 0.252 725 D C 1.261 177.625 176.300 0.107 0.000 1.123 725 D CA 0.093 54.103 54.000 0.017 0.000 1.109 725 D CB 0.004 40.812 40.800 0.013 0.000 1.313 725 D HN 0.180 nan 8.370 nan 0.000 0.629 726 G N -0.704 108.139 108.800 0.072 0.000 2.418 726 G HA2 -0.255 3.754 3.960 0.082 0.000 0.217 726 G HA3 -0.255 3.754 3.960 0.082 0.000 0.217 726 G C 1.485 176.435 174.900 0.084 0.000 1.158 726 G CA 1.258 46.400 45.100 0.070 0.000 0.771 726 G HN 0.450 nan 8.290 nan 0.000 0.545 727 S N -0.303 115.450 115.700 0.089 0.000 2.368 727 S HA -0.110 4.409 4.470 0.082 0.000 0.225 727 S C 2.070 176.737 174.600 0.112 0.000 1.030 727 S CA 1.398 59.646 58.200 0.081 0.000 0.999 727 S CB -0.425 62.818 63.200 0.071 0.000 0.844 727 S HN 0.366 nan 8.310 nan 0.000 0.459 728 F N 1.912 121.859 119.950 -0.003 0.000 2.095 728 F HA -0.085 4.491 4.527 0.082 0.000 0.298 728 F C 2.125 177.921 175.800 -0.006 0.000 1.104 728 F CA 1.785 59.782 58.000 -0.004 0.000 1.232 728 F CB -0.277 38.722 39.000 -0.002 0.000 0.987 728 F HN 0.205 nan 8.300 nan 0.000 0.475 729 M N 0.090 119.815 119.600 0.207 0.000 2.254 729 M HA -0.140 4.389 4.480 0.082 0.000 0.265 729 M C 1.682 177.976 176.300 -0.010 0.000 1.066 729 M CA 1.197 56.544 55.300 0.079 0.000 1.123 729 M CB -1.285 31.397 32.600 0.137 0.000 1.388 729 M HN 0.133 nan 8.290 nan 0.000 0.425 730 D N 0.521 120.923 120.400 0.005 0.000 2.117 730 D HA -0.131 4.558 4.640 0.082 0.000 0.197 730 D C 1.977 178.248 176.300 -0.049 0.000 0.987 730 D CA 1.092 55.083 54.000 -0.014 0.000 0.829 730 D CB -0.124 40.677 40.800 0.002 0.000 0.961 730 D HN 0.452 nan 8.370 nan 0.000 0.460 731 E N 0.309 120.464 120.200 -0.076 0.000 2.058 731 E HA -0.143 4.256 4.350 0.082 0.000 0.194 731 E C 2.116 178.628 176.600 -0.148 0.000 0.997 731 E CA 0.303 56.637 56.400 -0.110 0.000 0.801 731 E CB -0.085 29.531 29.700 -0.141 0.000 0.746 731 E HN 0.153 nan 8.360 nan 0.000 0.450 732 L N 1.019 122.115 121.223 -0.211 0.000 2.017 732 L HA -0.180 4.209 4.340 0.082 0.000 0.208 732 L C 2.186 178.982 176.870 -0.122 0.000 1.073 732 L CA 1.576 56.292 54.840 -0.207 0.000 0.745 732 L CB -0.480 41.418 42.059 -0.268 0.000 0.894 732 L HN 0.233 nan 8.230 nan 0.000 0.432 733 L N -0.664 120.508 121.223 -0.086 0.000 2.201 733 L HA -0.179 4.210 4.340 0.082 0.000 0.212 733 L C 2.426 179.268 176.870 -0.046 0.000 1.105 733 L CA 1.305 56.114 54.840 -0.053 0.000 0.775 733 L CB -0.667 41.373 42.059 -0.033 0.000 0.913 733 L HN 0.246 nan 8.230 nan 0.000 0.440 734 T N 0.058 114.580 114.554 -0.052 0.000 2.777 734 T HA -0.118 4.282 4.350 0.082 0.000 0.266 734 T C 1.970 176.638 174.700 -0.054 0.000 1.040 734 T CA 1.076 63.151 62.100 -0.041 0.000 1.141 734 T CB -0.178 68.667 68.868 -0.038 0.000 0.868 734 T HN 0.177 nan 8.240 nan 0.000 0.444 735 L N 0.374 121.546 121.223 -0.085 0.000 2.042 735 L HA -0.095 4.295 4.340 0.082 0.000 0.210 735 L C 2.727 179.529 176.870 -0.113 0.000 1.076 735 L CA 1.368 56.139 54.840 -0.116 0.000 0.749 735 L CB -0.529 41.442 42.059 -0.147 0.000 0.893 735 L HN 0.307 nan 8.230 nan 0.000 0.432 736 M N -0.840 118.709 119.600 -0.086 0.000 2.159 736 M HA -0.181 4.348 4.480 0.082 0.000 0.263 736 M C 2.411 178.708 176.300 -0.005 0.000 1.063 736 M CA 1.723 56.989 55.300 -0.055 0.000 1.110 736 M CB -0.494 32.083 32.600 -0.037 0.000 1.374 736 M HN 0.317 nan 8.290 nan 0.000 0.411 737 A N 0.159 122.978 122.820 -0.001 0.000 2.067 737 A HA 0.069 4.438 4.320 0.082 0.000 0.219 737 A C 2.110 179.732 177.584 0.063 0.000 1.158 737 A CA 1.613 53.670 52.037 0.032 0.000 0.661 737 A CB -0.601 18.412 19.000 0.022 0.000 0.801 737 A HN 0.503 nan 8.150 nan 0.000 0.452 738 A N -2.553 120.283 122.820 0.027 0.000 2.275 738 A HA 0.364 4.733 4.320 0.082 0.000 0.212 738 A C 0.928 178.539 177.584 0.044 0.000 1.201 738 A CA 1.188 53.254 52.037 0.048 0.000 0.843 738 A CB -0.457 18.531 19.000 -0.021 0.000 0.873 738 A HN 0.924 nan 8.150 nan 0.000 0.492 739 H N -1.155 117.856 119.070 -0.099 0.000 4.856 739 H HA -0.194 4.411 4.556 0.082 0.000 0.059 739 H C 0.035 175.137 175.328 -0.378 0.000 0.596 739 H CA 2.410 58.376 56.048 -0.138 0.000 0.946 739 H CB -0.579 29.207 29.762 0.041 0.000 0.453 739 H HN 0.454 nan 8.280 nan 0.000 0.801 740 R N -0.270 119.637 120.500 -0.988 0.000 2.867 740 R HA 0.609 4.998 4.340 0.082 0.000 0.268 740 R C -0.608 174.852 176.300 -1.400 0.000 1.014 740 R CA -0.307 54.991 56.100 -1.337 0.000 0.946 740 R CB 1.714 30.920 30.300 -1.825 0.000 1.208 740 R HN 0.096 nan 8.270 nan 0.000 0.477 741 V N 2.462 121.792 119.914 -0.973 0.000 2.162 741 V HA 0.096 4.265 4.120 0.082 0.000 0.255 741 V C 0.769 176.518 176.094 -0.576 0.000 1.304 741 V CA -0.416 61.485 62.300 -0.664 0.000 1.198 741 V CB -0.489 31.077 31.823 -0.428 0.000 1.333 741 V HN 0.710 nan 8.190 nan 0.000 0.493 742 W N 1.599 122.626 121.300 -0.455 0.000 2.350 742 W HA -0.220 4.489 4.660 0.082 0.000 0.289 742 W C 2.609 178.920 176.519 -0.347 0.000 1.215 742 W CA 0.978 57.964 57.345 -0.599 0.000 1.236 742 W CB -0.485 28.259 29.460 -1.193 0.000 1.130 742 W HN 0.648 nan 8.180 nan 0.000 0.541 743 S N 0.862 116.528 115.700 -0.056 0.000 2.440 743 S HA -0.223 4.296 4.470 0.082 0.000 0.238 743 S C 1.753 176.321 174.600 -0.053 0.000 1.010 743 S CA 1.190 59.371 58.200 -0.031 0.000 0.972 743 S CB -0.508 62.672 63.200 -0.033 0.000 0.774 743 S HN 0.410 nan 8.310 nan 0.000 0.501 744 R N 0.632 121.058 120.500 -0.122 0.000 2.299 744 R HA 0.227 4.617 4.340 0.082 0.000 0.197 744 R C 1.797 178.033 176.300 -0.106 0.000 0.971 744 R CA 0.367 56.376 56.100 -0.152 0.000 1.030 744 R CB -0.391 29.711 30.300 -0.330 0.000 0.932 744 R HN 0.501 nan 8.270 nan 0.000 0.477 745 I N 2.223 122.768 120.570 -0.042 0.000 2.113 745 I HA -0.258 3.961 4.170 0.082 0.000 0.242 745 I C -0.718 175.425 176.117 0.043 0.000 1.064 745 I CA 1.499 62.817 61.300 0.030 0.000 1.320 745 I CB -1.030 37.033 38.000 0.105 0.000 1.028 745 I HN 0.182 nan 8.210 nan 0.000 0.406 746 P HA -0.191 nan 4.420 nan 0.000 0.217 746 P C 1.173 178.505 177.300 0.052 0.000 1.148 746 P CA 1.683 64.814 63.100 0.052 0.000 0.828 746 P CB -0.126 31.601 31.700 0.046 0.000 0.783 747 K N -0.325 120.103 120.400 0.047 0.000 2.366 747 K HA 0.042 4.411 4.320 0.082 0.000 0.198 747 K C 2.107 178.770 176.600 0.105 0.000 1.044 747 K CA 0.644 56.980 56.287 0.082 0.000 0.973 747 K CB -0.455 32.118 32.500 0.122 0.000 0.767 747 K HN 0.301 nan 8.250 nan 0.000 0.475 748 I N -2.053 118.553 120.570 0.060 0.000 3.059 748 I HA -0.025 4.194 4.170 0.082 0.000 0.270 748 I C 0.486 176.647 176.117 0.074 0.000 1.238 748 I CA 1.124 62.464 61.300 0.067 0.000 1.478 748 I CB 0.023 38.018 38.000 -0.008 0.000 1.097 748 I HN -0.113 nan 8.210 nan 0.000 0.455 749 D N 1.473 121.918 120.400 0.075 0.000 2.348 749 D HA -0.102 4.588 4.640 0.082 0.000 0.216 749 D C 2.025 178.365 176.300 0.068 0.000 0.970 749 D CA 0.482 54.527 54.000 0.075 0.000 0.889 749 D CB 0.048 40.896 40.800 0.080 0.000 0.912 749 D HN 0.325 nan 8.370 nan 0.000 0.524 750 K N 1.019 121.459 120.400 0.066 0.000 2.262 750 K HA 0.015 4.384 4.320 0.082 0.000 0.200 750 K C 0.285 176.917 176.600 0.053 0.000 1.049 750 K CA 0.041 56.361 56.287 0.056 0.000 0.979 750 K CB 0.201 32.731 32.500 0.050 0.000 0.773 750 K HN 0.205 nan 8.250 nan 0.000 0.474 751 I N 2.074 122.683 120.570 0.065 0.000 2.598 751 I HA 0.137 4.356 4.170 0.082 0.000 0.284 751 I C -2.304 173.843 176.117 0.050 0.000 1.140 751 I CA -2.043 59.290 61.300 0.054 0.000 1.420 751 I CB 0.002 38.047 38.000 0.075 0.000 1.387 751 I HN -0.093 nan 8.210 nan 0.000 0.553 752 P HA 0.479 nan 4.420 nan 0.000 0.247 752 P C -0.683 176.674 177.300 0.094 0.000 1.756 752 P CA 0.062 63.198 63.100 0.060 0.000 1.117 752 P CB 0.324 32.053 31.700 0.049 0.000 1.869 753 A N 0.000 122.877 122.820 0.094 0.000 2.254 753 A HA 0.000 4.369 4.320 0.082 0.000 0.244 753 A CA 0.000 52.133 52.037 0.160 0.000 0.836 753 A CB 0.000 18.984 19.000 -0.026 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486