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 1ggk_1_D DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGHNTPIF 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 0.000 176.286 176.300 -0.023 0.000 2.045 27 D CA 0.000 53.989 54.000 -0.019 0.000 0.868 27 D CB 0.000 40.787 40.800 -0.021 0.000 0.688 28 S N 0.509 116.192 115.700 -0.029 0.000 4.159 28 S HA -0.100 4.385 4.470 0.024 0.000 0.532 28 S C 0.290 174.858 174.600 -0.053 0.000 0.750 28 S CA 0.146 58.322 58.200 -0.039 0.000 1.254 28 S CB -1.829 61.352 63.200 -0.031 0.000 0.732 28 S HN 0.279 nan 8.310 nan 0.000 0.689 29 L N 1.422 122.605 121.223 -0.067 0.000 2.693 29 L HA 0.544 4.899 4.340 0.024 0.000 0.235 29 L C 1.421 178.215 176.870 -0.127 0.000 1.127 29 L CA 0.347 55.141 54.840 -0.076 0.000 0.914 29 L CB -0.040 41.986 42.059 -0.054 0.000 1.193 29 L HN 0.674 nan 8.230 nan 0.000 0.502 30 A N 1.557 124.251 122.820 -0.209 0.000 2.386 30 A HA 0.466 4.801 4.320 0.024 0.000 0.248 30 A C -2.043 175.373 177.584 -0.281 0.000 1.082 30 A CA -0.871 50.913 52.037 -0.422 0.000 0.789 30 A CB -0.484 18.034 19.000 -0.803 0.000 1.025 30 A HN -0.021 nan 8.150 nan 0.000 0.490 31 P HA 0.214 nan 4.420 nan 0.000 0.271 31 P C -0.653 176.614 177.300 -0.054 0.000 1.216 31 P CA -0.139 62.908 63.100 -0.088 0.000 0.776 31 P CB 0.654 32.340 31.700 -0.022 0.000 0.881 32 E N 2.523 122.707 120.200 -0.027 0.000 2.223 32 E HA 0.207 4.571 4.350 0.024 0.000 0.282 32 E C 0.154 176.765 176.600 0.018 0.000 1.046 32 E CA 0.082 56.481 56.400 -0.003 0.000 0.857 32 E CB 0.070 29.767 29.700 -0.005 0.000 1.055 32 E HN 0.585 nan 8.360 nan 0.000 0.409 33 D N 2.737 123.161 120.400 0.041 0.000 4.420 33 D HA -0.122 4.533 4.640 0.024 0.000 0.101 33 D C 0.771 177.117 176.300 0.077 0.000 0.398 33 D CA 0.557 54.584 54.000 0.045 0.000 0.578 33 D CB -1.760 39.060 40.800 0.035 0.000 1.637 33 D HN 0.940 nan 8.370 nan 0.000 0.059 34 G N 0.921 109.801 108.800 0.133 0.000 2.356 34 G HA2 -0.254 3.721 3.960 0.024 0.000 0.296 34 G HA3 -0.254 3.721 3.960 0.024 0.000 0.296 34 G C 0.787 175.808 174.900 0.202 0.000 1.022 34 G CA 1.526 46.779 45.100 0.256 0.000 0.961 34 G HN 1.469 nan 8.290 nan 0.000 0.510 35 S N -0.148 115.664 115.700 0.186 0.000 2.671 35 S HA 0.076 4.561 4.470 0.024 0.000 0.220 35 S C 1.641 176.311 174.600 0.117 0.000 0.951 35 S CA 0.614 58.874 58.200 0.099 0.000 0.932 35 S CB -0.267 62.973 63.200 0.067 0.000 0.777 35 S HN 0.895 nan 8.310 nan 0.000 0.508 36 H N 1.254 120.331 119.070 0.012 0.000 2.539 36 H HA 0.329 4.900 4.556 0.024 0.000 0.267 36 H C 0.515 175.854 175.328 0.020 0.000 0.982 36 H CA -0.071 55.985 56.048 0.013 0.000 1.146 36 H CB -0.190 29.578 29.762 0.011 0.000 1.382 36 H HN 0.539 nan 8.280 nan 0.000 0.577 37 R N 1.661 121.957 120.500 -0.339 0.000 2.575 37 R HA 0.420 4.775 4.340 0.024 0.000 0.293 37 R C -3.045 173.178 176.300 -0.128 0.000 0.983 37 R CA -1.701 54.228 56.100 -0.285 0.000 0.887 37 R CB 2.047 31.987 30.300 -0.599 0.000 1.184 37 R HN -0.039 nan 8.270 nan 0.000 0.445 38 P HA 0.216 nan 4.420 nan 0.000 0.277 38 P C -0.704 176.588 177.300 -0.013 0.000 1.240 38 P CA -0.482 62.609 63.100 -0.016 0.000 0.798 38 P CB 1.271 32.982 31.700 0.018 0.000 0.979 39 A N 2.269 125.088 122.820 -0.002 0.000 2.531 39 A HA 0.355 4.689 4.320 0.024 0.000 0.236 39 A C 0.988 178.580 177.584 0.014 0.000 1.062 39 A CA 0.158 52.197 52.037 0.003 0.000 0.760 39 A CB -0.491 18.514 19.000 0.009 0.000 0.995 39 A HN 0.598 nan 8.150 nan 0.000 0.501 40 A N 2.606 125.434 122.820 0.014 0.000 3.118 40 A HA 0.499 4.834 4.320 0.024 0.000 0.256 40 A C 0.362 177.961 177.584 0.026 0.000 1.667 40 A CA 0.258 52.308 52.037 0.023 0.000 1.338 40 A CB -0.841 18.170 19.000 0.018 0.000 1.127 40 A HN 0.922 nan 8.150 nan 0.000 0.634 41 E N -0.345 119.873 120.200 0.029 0.000 2.407 41 E HA 0.488 4.853 4.350 0.024 0.000 0.279 41 E C -3.247 173.371 176.600 0.030 0.000 1.012 41 E CA -2.342 54.076 56.400 0.031 0.000 0.800 41 E CB 0.901 30.615 29.700 0.024 0.000 1.276 41 E HN 0.030 nan 8.360 nan 0.000 0.452 42 P HA 0.039 nan 4.420 nan 0.000 0.262 42 P C -0.923 176.382 177.300 0.008 0.000 1.182 42 P CA 0.597 63.707 63.100 0.016 0.000 0.761 42 P CB 0.421 32.123 31.700 0.003 0.000 0.795 43 T N 0.846 115.398 114.554 -0.002 0.000 2.956 43 T HA 0.536 4.900 4.350 0.024 0.000 0.312 43 T C -3.041 171.627 174.700 -0.053 0.000 1.151 43 T CA -2.404 59.690 62.100 -0.009 0.000 1.024 43 T CB 1.579 70.449 68.868 0.004 0.000 1.140 43 T HN 0.058 nan 8.240 nan 0.000 0.473 44 P HA 0.280 nan 4.420 nan 0.000 0.269 44 P C -2.711 174.473 177.300 -0.193 0.000 1.215 44 P CA -1.240 61.727 63.100 -0.223 0.000 0.780 44 P CB -0.921 30.720 31.700 -0.098 0.000 0.898 45 P HA 0.040 nan 4.420 nan 0.000 0.263 45 P C 1.126 178.391 177.300 -0.058 0.000 1.195 45 P CA 1.269 64.283 63.100 -0.144 0.000 0.762 45 P CB -0.259 31.350 31.700 -0.153 0.000 0.799 46 G N 2.903 111.693 108.800 -0.016 0.000 2.234 46 G HA2 -0.361 3.614 3.960 0.024 0.000 0.260 46 G HA3 -0.361 3.614 3.960 0.024 0.000 0.260 46 G C 1.190 176.092 174.900 0.005 0.000 0.987 46 G CA 0.528 45.630 45.100 0.004 0.000 0.625 46 G HN 0.668 nan 8.290 nan 0.000 0.532 47 A N -0.460 122.357 122.820 -0.004 0.000 1.858 47 A HA 0.302 4.636 4.320 0.024 0.000 0.216 47 A C 1.442 179.033 177.584 0.010 0.000 1.190 47 A CA 2.154 54.193 52.037 0.003 0.000 0.617 47 A CB -0.120 18.878 19.000 -0.002 0.000 0.827 47 A HN 0.667 nan 8.150 nan 0.000 0.443 48 Q N -1.026 118.783 119.800 0.015 0.000 2.496 48 Q HA 0.480 4.835 4.340 0.024 0.000 0.286 48 Q C -2.878 173.139 176.000 0.029 0.000 1.103 48 Q CA -2.383 53.432 55.803 0.020 0.000 0.813 48 Q CB 0.643 29.394 28.738 0.022 0.000 1.444 48 Q HN 0.107 nan 8.270 nan 0.000 0.443 49 P HA 0.017 nan 4.420 nan 0.000 0.271 49 P C -0.377 176.958 177.300 0.058 0.000 1.216 49 P CA 0.020 63.138 63.100 0.030 0.000 0.771 49 P CB 0.307 32.021 31.700 0.023 0.000 0.864 50 T N -0.239 114.354 114.554 0.065 0.000 2.813 50 T HA 0.634 4.998 4.350 0.024 0.000 0.297 50 T C 0.009 174.809 174.700 0.167 0.000 1.036 50 T CA -0.485 61.709 62.100 0.157 0.000 1.044 50 T CB 0.770 69.697 68.868 0.098 0.000 0.993 50 T HN 0.574 nan 8.240 nan 0.000 0.535 51 A N 1.595 124.604 122.820 0.314 0.000 2.602 51 A HA 0.783 5.118 4.320 0.024 0.000 0.290 51 A C -3.045 174.782 177.584 0.406 0.000 1.114 51 A CA -1.973 50.217 52.037 0.256 0.000 0.683 51 A CB 0.390 19.488 19.000 0.163 0.000 1.281 51 A HN 0.663 nan 8.150 nan 0.000 0.416 52 P HA 0.124 nan 4.420 nan 0.000 0.264 52 P C 1.251 178.693 177.300 0.237 0.000 1.183 52 P CA 0.992 64.287 63.100 0.324 0.000 0.763 52 P CB 0.524 32.345 31.700 0.203 0.000 0.807 53 G N 2.374 111.284 108.800 0.184 0.000 2.505 53 G HA2 -0.308 3.666 3.960 0.024 0.000 0.220 53 G HA3 -0.308 3.666 3.960 0.024 0.000 0.220 53 G C 1.439 176.365 174.900 0.042 0.000 1.145 53 G CA 1.158 46.289 45.100 0.053 0.000 0.761 53 G HN 0.597 nan 8.290 nan 0.000 0.571 54 S N -0.142 115.587 115.700 0.049 0.000 2.561 54 S HA 0.212 4.696 4.470 0.024 0.000 0.225 54 S C 2.051 176.671 174.600 0.035 0.000 0.977 54 S CA 0.531 58.745 58.200 0.024 0.000 0.926 54 S CB -0.085 63.122 63.200 0.012 0.000 0.769 54 S HN 0.334 nan 8.310 nan 0.000 0.533 55 L N -0.456 120.801 121.223 0.056 0.000 2.408 55 L HA 0.343 4.698 4.340 0.024 0.000 0.215 55 L C 2.517 179.417 176.870 0.050 0.000 1.081 55 L CA 0.508 55.379 54.840 0.052 0.000 0.840 55 L CB -0.259 41.837 42.059 0.062 0.000 1.002 55 L HN 0.218 nan 8.230 nan 0.000 0.468 56 K N 1.592 122.030 120.400 0.064 0.000 2.098 56 K HA 0.110 4.445 4.320 0.024 0.000 0.203 56 K C 0.747 177.373 176.600 0.043 0.000 1.051 56 K CA 1.181 57.505 56.287 0.062 0.000 0.957 56 K CB 0.208 32.760 32.500 0.086 0.000 0.738 56 K HN 0.120 nan 8.250 nan 0.000 0.447 57 A N 1.088 123.928 122.820 0.033 0.000 3.159 57 A HA 0.358 4.692 4.320 0.024 0.000 0.330 57 A C -2.212 175.378 177.584 0.009 0.000 1.032 57 A CA -1.070 50.983 52.037 0.027 0.000 0.841 57 A CB 0.626 19.646 19.000 0.034 0.000 1.093 57 A HN 0.166 nan 8.150 nan 0.000 0.478 58 P HA -0.115 nan 4.420 nan 0.000 0.222 58 P C 0.092 177.386 177.300 -0.010 0.000 1.147 58 P CA 1.120 64.219 63.100 -0.000 0.000 0.790 58 P CB 0.297 32.001 31.700 0.006 0.000 0.780 59 D N -0.853 119.544 120.400 -0.005 0.000 2.339 59 D HA 0.026 4.681 4.640 0.024 0.000 0.217 59 D C 0.189 176.476 176.300 -0.021 0.000 1.050 59 D CA 0.493 54.486 54.000 -0.011 0.000 0.856 59 D CB -0.122 40.678 40.800 -0.001 0.000 0.922 59 D HN 0.124 nan 8.370 nan 0.000 0.518 60 T N 1.813 116.352 114.554 -0.026 0.000 2.727 60 T HA 0.373 4.738 4.350 0.024 0.000 0.298 60 T C 0.292 174.949 174.700 -0.071 0.000 0.942 60 T CA -0.348 61.724 62.100 -0.047 0.000 0.997 60 T CB 1.234 70.073 68.868 -0.048 0.000 0.917 60 T HN -0.169 nan 8.240 nan 0.000 0.487 61 R N 2.717 123.168 120.500 -0.081 0.000 2.892 61 R HA 0.769 5.124 4.340 0.024 0.000 0.265 61 R C -0.440 175.800 176.300 -0.100 0.000 1.025 61 R CA -0.826 55.219 56.100 -0.092 0.000 0.982 61 R CB 1.256 31.510 30.300 -0.077 0.000 1.185 61 R HN 0.806 nan 8.270 nan 0.000 0.484 62 N N -2.273 116.368 118.700 -0.100 0.000 3.116 62 N HA 0.054 4.809 4.740 0.024 0.000 0.244 62 N C -0.105 175.356 175.510 -0.082 0.000 1.485 62 N CA -0.722 52.279 53.050 -0.081 0.000 0.884 62 N CB 0.483 38.947 38.487 -0.040 0.000 1.415 62 N HN 0.543 nan 8.380 nan 0.000 0.524 63 E N -0.061 120.104 120.200 -0.058 0.000 2.110 63 E HA -0.247 4.118 4.350 0.024 0.000 0.193 63 E C 1.103 177.629 176.600 -0.123 0.000 0.988 63 E CA 1.444 57.804 56.400 -0.067 0.000 0.804 63 E CB 0.067 29.752 29.700 -0.026 0.000 0.745 63 E HN 0.477 nan 8.360 nan 0.000 0.458 64 K N 0.730 121.023 120.400 -0.178 0.000 2.001 64 K HA -0.096 4.239 4.320 0.024 0.000 0.208 64 K C 2.105 178.542 176.600 -0.273 0.000 1.048 64 K CA 1.441 57.535 56.287 -0.322 0.000 0.932 64 K CB -0.541 31.625 32.500 -0.557 0.000 0.715 64 K HN 0.199 nan 8.250 nan 0.000 0.437 65 L N 0.946 122.011 121.223 -0.263 0.000 2.013 65 L HA -0.280 4.074 4.340 0.024 0.000 0.212 65 L C 2.064 178.823 176.870 -0.185 0.000 1.073 65 L CA 1.563 56.234 54.840 -0.282 0.000 0.753 65 L CB -0.728 41.160 42.059 -0.284 0.000 0.890 65 L HN 0.285 nan 8.230 nan 0.000 0.432 66 N N -0.231 118.384 118.700 -0.141 0.000 2.149 66 N HA -0.167 4.588 4.740 0.024 0.000 0.188 66 N C 2.038 177.490 175.510 -0.096 0.000 1.019 66 N CA 1.757 54.746 53.050 -0.102 0.000 0.857 66 N CB -0.404 38.035 38.487 -0.080 0.000 0.997 66 N HN 0.409 nan 8.380 nan 0.000 0.426 67 S N 0.035 115.667 115.700 -0.113 0.000 2.515 67 S HA 0.072 4.556 4.470 0.024 0.000 0.231 67 S C 1.771 176.310 174.600 -0.102 0.000 0.987 67 S CA 0.224 58.365 58.200 -0.099 0.000 0.936 67 S CB -0.328 62.808 63.200 -0.106 0.000 0.766 67 S HN 0.236 nan 8.310 nan 0.000 0.528 68 L N 0.615 121.765 121.223 -0.122 0.000 2.554 68 L HA 0.223 4.578 4.340 0.024 0.000 0.226 68 L C 2.552 179.376 176.870 -0.076 0.000 1.137 68 L CA 0.498 55.273 54.840 -0.107 0.000 0.863 68 L CB -0.334 41.646 42.059 -0.133 0.000 0.985 68 L HN 0.274 nan 8.230 nan 0.000 0.451 69 E N 0.932 121.090 120.200 -0.070 0.000 2.209 69 E HA -0.255 4.110 4.350 0.024 0.000 0.196 69 E C 1.676 178.254 176.600 -0.037 0.000 0.993 69 E CA 1.381 57.752 56.400 -0.048 0.000 0.819 69 E CB -0.038 29.636 29.700 -0.043 0.000 0.745 69 E HN 0.550 nan 8.360 nan 0.000 0.477 70 D N -0.683 119.693 120.400 -0.040 0.000 2.310 70 D HA -0.124 4.530 4.640 0.024 0.000 0.212 70 D C 1.562 177.843 176.300 -0.031 0.000 0.965 70 D CA 1.362 55.343 54.000 -0.033 0.000 0.879 70 D CB -0.142 40.638 40.800 -0.033 0.000 0.921 70 D HN 0.297 nan 8.370 nan 0.000 0.510 71 V N -3.349 116.544 119.914 -0.035 0.000 3.643 71 V HA 0.330 4.464 4.120 0.024 0.000 0.280 71 V C 0.977 177.059 176.094 -0.021 0.000 1.351 71 V CA -0.658 61.624 62.300 -0.029 0.000 1.073 71 V CB -0.484 31.320 31.823 -0.032 0.000 0.863 71 V HN -0.162 nan 8.190 nan 0.000 0.436 72 R N 1.851 122.339 120.500 -0.019 0.000 2.543 72 R HA 0.474 4.829 4.340 0.024 0.000 0.277 72 R C -0.191 176.104 176.300 -0.007 0.000 1.074 72 R CA 0.081 56.177 56.100 -0.006 0.000 1.076 72 R CB 0.708 31.005 30.300 -0.005 0.000 0.993 72 R HN 0.367 nan 8.270 nan 0.000 0.459 73 K N 0.690 121.090 120.400 -0.000 0.000 2.443 73 K HA 0.361 4.696 4.320 0.024 0.000 0.252 73 K C -0.313 176.297 176.600 0.017 0.000 0.933 73 K CA -0.498 55.779 56.287 -0.016 0.000 0.792 73 K CB 1.986 34.461 32.500 -0.041 0.000 1.185 73 K HN 0.730 nan 8.250 nan 0.000 0.425 74 G N 0.268 109.092 108.800 0.041 0.000 2.630 74 G HA2 0.324 4.298 3.960 0.024 0.000 0.223 74 G HA3 0.324 4.298 3.960 0.024 0.000 0.223 74 G C 0.251 175.233 174.900 0.137 0.000 1.434 74 G CA 0.253 45.422 45.100 0.116 0.000 1.057 74 G HN 0.702 nan 8.290 nan 0.000 0.570 75 S N -2.663 113.188 115.700 0.251 0.000 2.126 75 S HA 0.128 4.612 4.470 0.024 0.000 0.242 75 S C 0.230 175.007 174.600 0.296 0.000 0.898 75 S CA -0.181 58.179 58.200 0.267 0.000 1.395 75 S CB 0.047 63.325 63.200 0.130 0.000 0.966 75 S HN 0.480 nan 8.310 nan 0.000 0.435 76 E N 2.735 123.033 120.200 0.163 0.000 2.465 76 E HA 0.209 4.574 4.350 0.024 0.000 0.260 76 E C -0.296 176.231 176.600 -0.120 0.000 0.980 76 E CA 0.261 56.684 56.400 0.038 0.000 0.927 76 E CB 0.101 29.812 29.700 0.019 0.000 0.934 76 E HN 0.365 nan 8.360 nan 0.000 0.459 77 N N 1.242 119.869 118.700 -0.121 0.000 2.850 77 N HA -0.218 4.537 4.740 0.024 0.000 0.249 77 N C -1.297 174.017 175.510 -0.327 0.000 1.060 77 N CA 1.067 53.983 53.050 -0.224 0.000 0.825 77 N CB -1.462 36.856 38.487 -0.282 0.000 1.132 77 N HN 0.360 nan 8.380 nan 0.000 0.564 78 Y N 0.440 120.744 120.300 0.007 0.000 2.457 78 Y HA 0.674 5.240 4.550 0.025 0.000 0.333 78 Y C 0.863 176.765 175.900 0.003 0.000 1.119 78 Y CA -0.648 57.455 58.100 0.005 0.000 1.143 78 Y CB 1.107 39.570 38.460 0.005 0.000 1.230 78 Y HN 0.121 nan 8.280 nan 0.000 0.469 79 A N 2.193 125.134 122.820 0.201 0.000 2.371 79 A HA 0.431 4.765 4.320 0.024 0.000 0.257 79 A C -0.843 176.791 177.584 0.083 0.000 1.089 79 A CA -0.513 51.587 52.037 0.105 0.000 0.794 79 A CB 0.141 19.188 19.000 0.078 0.000 1.029 79 A HN 0.685 nan 8.150 nan 0.000 0.488 80 L N 2.994 124.245 121.223 0.047 0.000 2.361 80 L HA 0.496 4.850 4.340 0.024 0.000 0.278 80 L C 0.630 177.506 176.870 0.010 0.000 1.113 80 L CA 1.069 55.923 54.840 0.022 0.000 0.849 80 L CB 0.119 42.183 42.059 0.008 0.000 1.155 80 L HN 0.903 nan 8.230 nan 0.000 0.452 81 T N 0.497 115.051 114.554 -0.001 0.000 2.864 81 T HA 0.684 5.048 4.350 0.024 0.000 0.289 81 T C 0.267 174.963 174.700 -0.008 0.000 1.082 81 T CA -0.151 61.949 62.100 0.001 0.000 1.009 81 T CB 1.089 69.960 68.868 0.005 0.000 1.234 81 T HN 0.755 nan 8.240 nan 0.000 0.526 82 T N 0.094 114.655 114.554 0.012 0.000 2.698 82 T HA 0.244 4.609 4.350 0.024 0.000 0.295 82 T C 1.019 175.726 174.700 0.012 0.000 1.007 82 T CA -0.491 61.621 62.100 0.020 0.000 0.980 82 T CB -0.077 68.837 68.868 0.076 0.000 1.036 82 T HN 0.553 nan 8.240 nan 0.000 0.526 83 N N 0.388 119.097 118.700 0.016 0.000 2.512 83 N HA -0.045 4.709 4.740 0.024 0.000 0.183 83 N C 1.542 177.063 175.510 0.018 0.000 1.073 83 N CA 0.500 53.552 53.050 0.003 0.000 0.911 83 N CB -0.133 38.362 38.487 0.013 0.000 0.964 83 N HN 0.536 nan 8.380 nan 0.000 0.447 84 Q N -0.560 119.264 119.800 0.040 0.000 2.360 84 Q HA 0.202 4.557 4.340 0.024 0.000 0.202 84 Q C 0.769 176.787 176.000 0.030 0.000 0.915 84 Q CA 0.131 55.957 55.803 0.037 0.000 0.943 84 Q CB 0.423 29.193 28.738 0.054 0.000 1.064 84 Q HN 0.371 nan 8.270 nan 0.000 0.511 85 G N 0.494 109.309 108.800 0.026 0.000 2.132 85 G HA2 -0.226 3.749 3.960 0.024 0.000 0.228 85 G HA3 -0.226 3.749 3.960 0.024 0.000 0.228 85 G C -0.000 174.922 174.900 0.038 0.000 1.000 85 G CA 0.147 45.259 45.100 0.020 0.000 0.693 85 G HN 0.202 nan 8.290 nan 0.000 0.515 86 V N 1.153 121.104 119.914 0.062 0.000 2.465 86 V HA 0.427 4.562 4.120 0.024 0.000 0.279 86 V C 1.249 177.376 176.094 0.056 0.000 1.045 86 V CA -0.707 61.640 62.300 0.078 0.000 0.938 86 V CB 1.246 33.158 31.823 0.149 0.000 0.986 86 V HN 0.425 nan 8.190 nan 0.000 0.467 87 R N 4.081 124.609 120.500 0.046 0.000 2.590 87 R HA 0.393 4.747 4.340 0.024 0.000 0.274 87 R C -0.586 175.726 176.300 0.020 0.000 1.061 87 R CA -0.019 56.099 56.100 0.031 0.000 1.081 87 R CB 0.503 30.822 30.300 0.031 0.000 0.984 87 R HN 0.574 nan 8.270 nan 0.000 0.448 88 I N 2.109 122.680 120.570 0.001 0.000 2.339 88 I HA 0.149 4.334 4.170 0.024 0.000 0.290 88 I C 0.880 176.987 176.117 -0.017 0.000 0.994 88 I CA -0.069 61.217 61.300 -0.023 0.000 1.191 88 I CB 1.921 39.896 38.000 -0.040 0.000 1.343 88 I HN 0.790 nan 8.210 nan 0.000 0.458 89 A N 4.231 127.038 122.820 -0.020 0.000 1.903 89 A HA -0.015 4.320 4.320 0.024 0.000 0.213 89 A C 0.713 178.284 177.584 -0.023 0.000 1.185 89 A CA 1.073 53.101 52.037 -0.015 0.000 0.628 89 A CB 0.029 19.023 19.000 -0.010 0.000 0.830 89 A HN 0.679 nan 8.150 nan 0.000 0.446 90 D N -0.805 119.574 120.400 -0.035 0.000 2.473 90 D HA 0.332 4.987 4.640 0.024 0.000 0.253 90 D C -1.423 174.848 176.300 -0.049 0.000 1.233 90 D CA -0.365 53.613 54.000 -0.037 0.000 0.908 90 D CB 1.381 42.160 40.800 -0.036 0.000 1.170 90 D HN 0.051 nan 8.370 nan 0.000 0.558 91 D N 2.070 122.444 120.400 -0.044 0.000 2.427 91 D HA 0.058 4.713 4.640 0.024 0.000 0.224 91 D C 0.646 176.916 176.300 -0.050 0.000 1.157 91 D CA 0.238 54.207 54.000 -0.051 0.000 0.828 91 D CB 0.528 41.301 40.800 -0.044 0.000 0.974 91 D HN 0.219 nan 8.370 nan 0.000 0.498 92 Q N -0.654 119.118 119.800 -0.046 0.000 2.317 92 Q HA 0.265 4.620 4.340 0.024 0.000 0.220 92 Q C -0.112 175.860 176.000 -0.046 0.000 0.873 92 Q CA 0.227 56.003 55.803 -0.044 0.000 0.936 92 Q CB 0.738 29.455 28.738 -0.036 0.000 1.105 92 Q HN 0.200 nan 8.270 nan 0.000 0.520 93 N N 0.044 118.716 118.700 -0.048 0.000 2.284 93 N HA 0.350 5.104 4.740 0.024 0.000 0.289 93 N C -0.946 174.533 175.510 -0.051 0.000 1.179 93 N CA -0.286 52.737 53.050 -0.045 0.000 0.774 93 N CB 2.076 40.541 38.487 -0.036 0.000 1.548 93 N HN -0.183 nan 8.380 nan 0.000 0.473 94 S N 0.607 116.280 115.700 -0.045 0.000 2.652 94 S HA 0.366 4.850 4.470 0.024 0.000 0.270 94 S C -0.041 174.537 174.600 -0.037 0.000 1.243 94 S CA -0.606 57.566 58.200 -0.045 0.000 0.999 94 S CB 0.895 64.074 63.200 -0.035 0.000 0.973 94 S HN 0.398 nan 8.310 nan 0.000 0.544 95 L N 3.321 124.522 121.223 -0.035 0.000 2.313 95 L HA 0.411 4.765 4.340 0.024 0.000 0.282 95 L C 0.037 176.901 176.870 -0.010 0.000 1.092 95 L CA 0.307 55.134 54.840 -0.022 0.000 0.831 95 L CB -0.184 41.864 42.059 -0.018 0.000 1.159 95 L HN 0.675 nan 8.230 nan 0.000 0.442 96 R N 4.224 124.720 120.500 -0.007 0.000 2.912 96 R HA 0.869 5.223 4.340 0.024 0.000 0.262 96 R C -0.937 175.364 176.300 0.001 0.000 1.057 96 R CA -0.878 55.220 56.100 -0.003 0.000 0.981 96 R CB 1.060 31.357 30.300 -0.006 0.000 1.201 96 R HN 0.580 nan 8.270 nan 0.000 0.484 97 A N 1.037 123.859 122.820 0.003 0.000 2.798 97 A HA 0.582 4.917 4.320 0.024 0.000 0.316 97 A C 0.408 177.993 177.584 0.002 0.000 1.506 97 A CA 0.214 52.253 52.037 0.004 0.000 1.162 97 A CB -0.846 18.157 19.000 0.006 0.000 1.138 97 A HN 1.119 nan 8.150 nan 0.000 0.532 98 G N 0.749 109.549 108.800 0.000 0.000 2.697 98 G HA2 0.101 4.076 3.960 0.024 0.000 0.686 98 G HA3 0.101 4.076 3.960 0.024 0.000 0.686 98 G C 0.586 175.484 174.900 -0.003 0.000 1.179 98 G CA 0.062 45.162 45.100 -0.001 0.000 0.765 98 G HN 1.705 nan 8.290 nan 0.000 0.649 99 S N 0.035 115.733 115.700 -0.004 0.000 2.507 99 S HA 0.001 4.485 4.470 0.024 0.000 0.235 99 S C 1.514 176.109 174.600 -0.007 0.000 0.988 99 S CA 1.401 59.597 58.200 -0.007 0.000 0.944 99 S CB 0.074 63.270 63.200 -0.007 0.000 0.762 99 S HN 0.716 nan 8.310 nan 0.000 0.526 100 R N 0.673 121.170 120.500 -0.005 0.000 2.613 100 R HA 0.326 4.681 4.340 0.024 0.000 0.361 100 R C 0.831 177.128 176.300 -0.004 0.000 1.072 100 R CA 0.033 56.130 56.100 -0.005 0.000 1.089 100 R CB 0.833 31.130 30.300 -0.005 0.000 1.343 100 R HN 0.453 nan 8.270 nan 0.000 0.571 101 G N 1.520 110.318 108.800 -0.003 0.000 0.000 101 G HA2 0.384 4.358 3.960 0.024 0.000 0.000 101 G HA3 0.384 4.358 3.960 0.024 0.000 0.000 101 G C -2.377 172.522 174.900 -0.002 0.000 0.000 101 G CA -1.026 44.073 45.100 -0.002 0.000 0.000 101 G HN -0.095 nan 8.290 nan 0.000 0.000 102 P HA 0.213 nan 4.420 nan 0.000 0.274 102 P C -0.186 177.115 177.300 0.001 0.000 1.231 102 P CA -0.092 63.009 63.100 0.001 0.000 0.790 102 P CB 0.690 32.392 31.700 0.004 0.000 0.951 103 T N 2.516 117.070 114.554 0.001 0.000 2.851 103 T HA 0.252 4.616 4.350 0.024 0.000 0.298 103 T C 0.503 175.208 174.700 0.007 0.000 0.977 103 T CA -0.142 61.958 62.100 0.001 0.000 1.126 103 T CB -0.077 68.789 68.868 -0.003 0.000 0.916 103 T HN 0.172 nan 8.240 nan 0.000 0.529 104 L N 3.663 124.892 121.223 0.010 0.000 2.375 104 L HA 0.300 4.655 4.340 0.024 0.000 0.271 104 L C 1.433 178.320 176.870 0.027 0.000 1.107 104 L CA -0.729 54.123 54.840 0.019 0.000 0.806 104 L CB 0.762 42.835 42.059 0.023 0.000 1.146 104 L HN 0.524 nan 8.230 nan 0.000 0.447 105 L N 2.046 123.289 121.223 0.034 0.000 2.275 105 L HA -0.155 4.200 4.340 0.024 0.000 0.215 105 L C 2.248 179.157 176.870 0.065 0.000 1.119 105 L CA 1.521 56.387 54.840 0.043 0.000 0.790 105 L CB -0.544 41.538 42.059 0.038 0.000 0.919 105 L HN 0.790 nan 8.230 nan 0.000 0.443 106 E N -1.495 118.749 120.200 0.073 0.000 2.511 106 E HA -0.167 4.197 4.350 0.024 0.000 0.196 106 E C 0.243 176.945 176.600 0.171 0.000 1.066 106 E CA 0.198 56.666 56.400 0.114 0.000 0.871 106 E CB -0.437 29.320 29.700 0.095 0.000 0.863 106 E HN 0.356 nan 8.360 nan 0.000 0.520 107 D N 1.279 121.736 120.400 0.095 0.000 2.455 107 D HA -0.059 4.596 4.640 0.024 0.000 0.234 107 D C 0.482 176.796 176.300 0.023 0.000 1.224 107 D CA -0.481 53.532 54.000 0.023 0.000 0.999 107 D CB -0.184 40.597 40.800 -0.031 0.000 1.072 107 D HN 0.305 nan 8.370 nan 0.000 0.514 108 F N 1.955 121.913 119.950 0.013 0.000 2.451 108 F HA 0.045 4.582 4.527 0.018 0.000 0.299 108 F C 1.583 177.394 175.800 0.018 0.000 1.101 108 F CA 0.179 58.189 58.000 0.017 0.000 1.436 108 F CB -0.683 38.326 39.000 0.015 0.000 1.074 108 F HN 0.201 nan 8.300 nan 0.000 0.553 109 I N 0.252 120.410 120.570 -0.687 0.000 2.233 109 I HA -0.187 3.998 4.170 0.024 0.000 0.243 109 I C 2.471 178.474 176.117 -0.189 0.000 1.093 109 I CA 0.991 62.012 61.300 -0.465 0.000 1.380 109 I CB -0.477 37.210 38.000 -0.520 0.000 1.067 109 I HN 0.276 nan 8.210 nan 0.000 0.413 110 L N 1.106 122.236 121.223 -0.155 0.000 2.012 110 L HA -0.192 4.162 4.340 0.024 0.000 0.210 110 L C 2.621 179.479 176.870 -0.019 0.000 1.073 110 L CA 1.856 56.651 54.840 -0.074 0.000 0.748 110 L CB -0.509 41.515 42.059 -0.060 0.000 0.891 110 L HN 0.053 nan 8.230 nan 0.000 0.431 111 R N -0.651 119.855 120.500 0.009 0.000 2.115 111 R HA -0.151 4.204 4.340 0.024 0.000 0.230 111 R C 2.276 178.627 176.300 0.084 0.000 1.111 111 R CA 1.374 57.509 56.100 0.058 0.000 0.976 111 R CB -0.346 30.002 30.300 0.080 0.000 0.870 111 R HN 0.578 nan 8.270 nan 0.000 0.445 112 E N 1.314 121.562 120.200 0.079 0.000 2.031 112 E HA -0.235 4.130 4.350 0.024 0.000 0.193 112 E C 1.902 178.567 176.600 0.108 0.000 0.994 112 E CA 1.254 57.716 56.400 0.103 0.000 0.800 112 E CB 0.115 29.873 29.700 0.096 0.000 0.752 112 E HN 0.126 nan 8.360 nan 0.000 0.447 113 K N 0.205 120.639 120.400 0.057 0.000 2.020 113 K HA -0.172 4.162 4.320 0.024 0.000 0.212 113 K C 2.138 178.805 176.600 0.112 0.000 1.050 113 K CA 1.679 57.999 56.287 0.055 0.000 0.929 113 K CB -0.081 32.411 32.500 -0.013 0.000 0.714 113 K HN 0.161 nan 8.250 nan 0.000 0.443 114 I N 1.107 121.732 120.570 0.091 0.000 2.315 114 I HA -0.180 4.004 4.170 0.024 0.000 0.248 114 I C 2.158 178.408 176.117 0.222 0.000 1.117 114 I CA 1.354 62.738 61.300 0.140 0.000 1.404 114 I CB -1.514 36.537 38.000 0.084 0.000 1.071 114 I HN 0.244 nan 8.210 nan 0.000 0.419 115 T N -0.210 114.461 114.554 0.195 0.000 2.708 115 T HA -0.218 4.146 4.350 0.024 0.000 0.266 115 T C 1.962 176.840 174.700 0.297 0.000 1.037 115 T CA 1.455 63.701 62.100 0.243 0.000 1.146 115 T CB -0.438 68.555 68.868 0.210 0.000 0.865 115 T HN 0.350 nan 8.240 nan 0.000 0.435 116 H N 0.087 119.264 119.070 0.178 0.000 2.321 116 H HA -0.085 4.485 4.556 0.024 0.000 0.300 116 H C 2.220 177.636 175.328 0.146 0.000 1.087 116 H CA 1.664 57.799 56.048 0.144 0.000 1.319 116 H CB -0.516 29.300 29.762 0.090 0.000 1.379 116 H HN 0.354 nan 8.280 nan 0.000 0.501 117 F N 2.300 122.339 119.950 0.150 0.000 2.063 117 F HA -0.260 4.279 4.527 0.020 0.000 0.298 117 F C 2.049 177.830 175.800 -0.031 0.000 1.109 117 F CA 2.137 60.170 58.000 0.056 0.000 1.212 117 F CB -0.512 38.505 39.000 0.030 0.000 0.973 117 F HN 0.126 nan 8.300 nan 0.000 0.480 118 D N -1.273 119.089 120.400 -0.063 0.000 2.263 118 D HA -0.150 4.504 4.640 0.024 0.000 0.208 118 D C 1.287 177.285 176.300 -0.503 0.000 0.971 118 D CA 1.282 55.084 54.000 -0.329 0.000 0.867 118 D CB -0.450 40.184 40.800 -0.275 0.000 0.929 118 D HN 0.544 nan 8.370 nan 0.000 0.492 119 H N -0.252 118.703 119.070 -0.193 0.000 2.469 119 H HA 0.220 4.787 4.556 0.017 0.000 0.286 119 H C 0.991 176.165 175.328 -0.257 0.000 1.106 119 H CA -0.098 55.833 56.048 -0.194 0.000 1.055 119 H CB 0.579 30.246 29.762 -0.158 0.000 1.618 119 H HN 0.261 nan 8.280 nan 0.000 0.559 120 E N 0.903 120.962 120.200 -0.235 0.000 2.077 120 E HA -0.064 4.301 4.350 0.024 0.000 0.193 120 E C 0.598 177.063 176.600 -0.224 0.000 0.989 120 E CA 0.633 56.869 56.400 -0.273 0.000 0.800 120 E CB 0.373 29.901 29.700 -0.287 0.000 0.746 120 E HN 0.210 nan 8.360 nan 0.000 0.452 121 R N 1.224 121.643 120.500 -0.136 0.000 2.539 121 R HA 0.310 4.664 4.340 0.024 0.000 0.275 121 R C 0.485 176.822 176.300 0.062 0.000 1.077 121 R CA -0.115 55.973 56.100 -0.020 0.000 1.097 121 R CB 0.448 30.727 30.300 -0.035 0.000 1.018 121 R HN 0.184 nan 8.270 nan 0.000 0.483 122 I N -1.047 119.618 120.570 0.159 0.000 2.740 122 I HA 0.555 4.740 4.170 0.024 0.000 0.303 122 I C -2.241 173.943 176.117 0.112 0.000 1.044 122 I CA -2.885 58.506 61.300 0.151 0.000 1.064 122 I CB 1.842 39.969 38.000 0.212 0.000 1.249 122 I HN 0.268 nan 8.210 nan 0.000 0.433 123 P HA 0.073 nan 4.420 nan 0.000 0.266 123 P C -0.882 176.456 177.300 0.064 0.000 1.193 123 P CA -0.003 63.132 63.100 0.058 0.000 0.770 123 P CB 0.363 32.088 31.700 0.041 0.000 0.836 124 E N 1.930 122.168 120.200 0.062 0.000 2.312 124 E HA 0.283 4.647 4.350 0.024 0.000 0.259 124 E C -0.457 176.177 176.600 0.057 0.000 1.122 124 E CA -0.989 55.453 56.400 0.070 0.000 0.922 124 E CB 0.672 30.419 29.700 0.079 0.000 1.109 124 E HN 0.243 nan 8.360 nan 0.000 0.442 125 R N 0.586 121.126 120.500 0.067 0.000 2.585 125 R HA -0.007 4.348 4.340 0.024 0.000 0.275 125 R C 1.078 177.423 176.300 0.075 0.000 1.018 125 R CA 0.019 56.160 56.100 0.068 0.000 1.072 125 R CB 0.166 30.528 30.300 0.104 0.000 0.953 125 R HN 0.640 nan 8.270 nan 0.000 0.419 126 I N 3.117 123.725 120.570 0.063 0.000 2.286 126 I HA -0.173 4.012 4.170 0.024 0.000 0.248 126 I C 0.283 176.458 176.117 0.097 0.000 1.115 126 I CA 1.170 62.511 61.300 0.070 0.000 1.392 126 I CB 0.477 38.513 38.000 0.061 0.000 1.065 126 I HN 0.385 nan 8.210 nan 0.000 0.418 127 V N -2.851 117.156 119.914 0.155 0.000 2.962 127 V HA 0.484 4.619 4.120 0.024 0.000 0.313 127 V C 0.013 176.273 176.094 0.278 0.000 1.099 127 V CA -0.773 61.639 62.300 0.186 0.000 0.971 127 V CB 1.423 33.419 31.823 0.287 0.000 1.028 127 V HN 0.395 nan 8.190 nan 0.000 0.430 128 H N 0.555 119.710 119.070 0.143 0.000 2.936 128 H HA -0.222 4.349 4.556 0.024 0.000 0.276 128 H C 1.600 176.993 175.328 0.108 0.000 1.216 128 H CA 0.810 56.938 56.048 0.133 0.000 1.132 128 H CB -1.313 28.532 29.762 0.138 0.000 1.303 128 H HN 1.200 nan 8.280 nan 0.000 0.370 129 A N 0.884 123.803 122.820 0.167 0.000 1.917 129 A HA -0.168 4.167 4.320 0.024 0.000 0.219 129 A C 1.727 179.408 177.584 0.160 0.000 1.182 129 A CA 1.675 53.796 52.037 0.141 0.000 0.633 129 A CB -0.190 18.870 19.000 0.100 0.000 0.819 129 A HN 0.312 nan 8.150 nan 0.000 0.448 130 R N 0.111 120.707 120.500 0.159 0.000 2.216 130 R HA 0.491 4.846 4.340 0.024 0.000 0.332 130 R C -0.099 176.332 176.300 0.218 0.000 1.056 130 R CA 0.855 57.067 56.100 0.185 0.000 0.901 130 R CB 0.236 30.631 30.300 0.158 0.000 1.039 130 R HN 0.399 nan 8.270 nan 0.000 0.456 131 G N 1.024 109.973 108.800 0.249 0.000 2.673 131 G HA2 0.492 4.467 3.960 0.024 0.000 0.292 131 G HA3 0.492 4.467 3.960 0.024 0.000 0.292 131 G C -1.633 173.423 174.900 0.261 0.000 1.450 131 G CA -0.643 44.578 45.100 0.200 0.000 0.837 131 G HN 0.513 nan 8.290 nan 0.000 0.505 132 S N -0.908 114.901 115.700 0.182 0.000 2.538 132 S HA 0.887 5.371 4.470 0.024 0.000 0.288 132 S C -0.090 174.517 174.600 0.012 0.000 1.108 132 S CA -0.195 58.150 58.200 0.242 0.000 0.971 132 S CB 1.732 65.178 63.200 0.409 0.000 1.041 132 S HN 1.525 nan 8.310 nan 0.000 0.483 133 A N 1.621 124.423 122.820 -0.031 0.000 2.479 133 A HA 1.040 5.375 4.320 0.024 0.000 0.296 133 A C -0.866 176.535 177.584 -0.304 0.000 1.121 133 A CA -0.745 51.078 52.037 -0.356 0.000 0.743 133 A CB 1.618 20.259 19.000 -0.598 0.000 1.323 133 A HN 1.361 nan 8.150 nan 0.000 0.415 134 A N 0.358 122.814 122.820 -0.607 0.000 2.610 134 A HA 0.712 5.047 4.320 0.024 0.000 0.291 134 A C -1.283 176.045 177.584 -0.427 0.000 1.086 134 A CA -0.662 51.152 52.037 -0.372 0.000 0.677 134 A CB 0.764 19.659 19.000 -0.174 0.000 1.278 134 A HN 0.875 nan 8.150 nan 0.000 0.414 135 H N -0.332 118.731 119.070 -0.012 0.000 2.482 135 H HA 0.711 5.281 4.556 0.024 0.000 0.344 135 H C 0.606 175.928 175.328 -0.011 0.000 1.151 135 H CA 0.823 56.927 56.048 0.093 0.000 1.300 135 H CB 1.828 31.658 29.762 0.114 0.000 1.494 135 H HN 1.168 nan 8.280 nan 0.000 0.542 136 G N 0.838 109.733 108.800 0.159 0.000 2.588 136 G HA2 0.371 4.346 3.960 0.024 0.000 0.281 136 G HA3 0.371 4.346 3.960 0.024 0.000 0.281 136 G C -1.987 173.049 174.900 0.227 0.000 1.223 136 G CA -0.595 44.564 45.100 0.098 0.000 0.871 136 G HN 0.618 nan 8.290 nan 0.000 0.492 137 Y N -1.733 118.600 120.300 0.054 0.000 2.581 137 Y HA 0.813 5.377 4.550 0.024 0.000 0.337 137 Y C -1.882 174.142 175.900 0.208 0.000 1.108 137 Y CA -1.926 56.250 58.100 0.127 0.000 1.033 137 Y CB 1.679 40.187 38.460 0.081 0.000 1.318 137 Y HN 0.793 nan 8.280 nan 0.000 0.459 138 F N 2.553 122.634 119.950 0.218 0.000 2.561 138 F HA 0.721 5.263 4.527 0.024 0.000 0.321 138 F C -1.104 174.890 175.800 0.323 0.000 1.065 138 F CA -0.641 57.500 58.000 0.235 0.000 0.934 138 F CB 2.312 41.576 39.000 0.441 0.000 1.215 138 F HN 0.786 nan 8.300 nan 0.000 0.471 139 Q N 6.671 125.954 119.800 -0.861 0.000 2.268 139 Q HA 0.430 4.785 4.340 0.024 0.000 0.266 139 Q C -2.907 172.573 176.000 -0.866 0.000 1.006 139 Q CA -2.341 53.150 55.803 -0.520 0.000 0.824 139 Q CB 2.664 31.358 28.738 -0.074 0.000 1.306 139 Q HN 0.328 nan 8.270 nan 0.000 0.424 140 P HA -0.007 nan 4.420 nan 0.000 0.272 140 P C -0.530 176.681 177.300 -0.148 0.000 1.223 140 P CA 0.301 63.227 63.100 -0.290 0.000 0.784 140 P CB 0.447 32.118 31.700 -0.047 0.000 0.923 141 Y N 0.866 121.104 120.300 -0.103 0.000 2.420 141 Y HA -0.020 4.545 4.550 0.025 0.000 0.292 141 Y C 1.497 177.369 175.900 -0.046 0.000 1.119 141 Y CA 0.298 58.357 58.100 -0.068 0.000 1.229 141 Y CB 0.326 38.752 38.460 -0.056 0.000 1.026 141 Y HN 0.376 nan 8.280 nan 0.000 0.554 142 K N -1.562 118.896 120.400 0.097 0.000 2.556 142 K HA 0.373 4.708 4.320 0.024 0.000 0.289 142 K C -1.093 175.516 176.600 0.014 0.000 1.040 142 K CA -0.957 55.360 56.287 0.050 0.000 0.894 142 K CB 1.365 33.892 32.500 0.046 0.000 1.547 142 K HN -0.287 nan 8.250 nan 0.000 0.417 143 S N 0.131 115.836 115.700 0.009 0.000 2.565 143 S HA 0.299 4.784 4.470 0.024 0.000 0.276 143 S C 0.244 174.837 174.600 -0.011 0.000 1.326 143 S CA -0.721 57.476 58.200 -0.005 0.000 1.045 143 S CB -0.065 63.134 63.200 -0.000 0.000 0.918 143 S HN 0.510 nan 8.310 nan 0.000 0.505 144 L N 4.146 125.354 121.223 -0.025 0.000 3.066 144 L HA 0.222 4.577 4.340 0.024 0.000 0.265 144 L C 1.657 178.516 176.870 -0.017 0.000 1.232 144 L CA -0.148 54.684 54.840 -0.014 0.000 1.031 144 L CB 0.167 42.220 42.059 -0.009 0.000 1.379 144 L HN 0.572 nan 8.230 nan 0.000 0.563 145 S N 0.147 115.835 115.700 -0.019 0.000 2.419 145 S HA -0.174 4.310 4.470 0.024 0.000 0.235 145 S C 1.390 175.979 174.600 -0.018 0.000 1.019 145 S CA 1.267 59.455 58.200 -0.021 0.000 0.982 145 S CB -0.074 63.118 63.200 -0.014 0.000 0.789 145 S HN 0.476 nan 8.310 nan 0.000 0.490 146 D N 1.608 122.002 120.400 -0.011 0.000 2.104 146 D HA -0.088 4.566 4.640 0.024 0.000 0.194 146 D C 1.836 178.125 176.300 -0.018 0.000 0.994 146 D CA 1.277 55.271 54.000 -0.010 0.000 0.830 146 D CB -0.201 40.598 40.800 -0.002 0.000 0.959 146 D HN 0.628 nan 8.370 nan 0.000 0.452 147 I N -3.608 116.954 120.570 -0.013 0.000 3.708 147 I HA 0.180 4.365 4.170 0.024 0.000 0.302 147 I C 0.713 176.799 176.117 -0.052 0.000 1.255 147 I CA 0.114 61.398 61.300 -0.026 0.000 1.362 147 I CB 0.766 38.769 38.000 0.005 0.000 1.100 147 I HN -0.204 nan 8.210 nan 0.000 0.434 148 T N 1.202 115.727 114.554 -0.049 0.000 2.894 148 T HA 0.373 4.738 4.350 0.024 0.000 0.309 148 T C -0.266 174.393 174.700 -0.068 0.000 1.208 148 T CA -0.772 61.283 62.100 -0.075 0.000 1.016 148 T CB 1.802 70.617 68.868 -0.088 0.000 1.192 148 T HN 0.430 nan 8.240 nan 0.000 0.491 149 K N 1.976 122.333 120.400 -0.071 0.000 2.399 149 K HA 0.640 4.974 4.320 0.024 0.000 0.204 149 K C 0.598 177.173 176.600 -0.042 0.000 1.023 149 K CA -0.459 55.797 56.287 -0.051 0.000 1.127 149 K CB 0.441 32.915 32.500 -0.043 0.000 0.856 149 K HN 0.496 nan 8.250 nan 0.000 0.514 150 A N 2.022 124.803 122.820 -0.065 0.000 2.515 150 A HA -0.046 4.288 4.320 0.024 0.000 0.263 150 A C 0.616 178.193 177.584 -0.012 0.000 1.096 150 A CA 0.083 52.104 52.037 -0.026 0.000 0.769 150 A CB -0.007 18.955 19.000 -0.064 0.000 1.040 150 A HN 0.482 nan 8.150 nan 0.000 0.505 151 D N 2.313 122.761 120.400 0.080 0.000 2.158 151 D HA -0.264 4.391 4.640 0.024 0.000 0.197 151 D C 1.358 177.742 176.300 0.139 0.000 0.995 151 D CA 2.408 56.467 54.000 0.097 0.000 0.846 151 D CB -0.248 40.627 40.800 0.124 0.000 0.941 151 D HN 0.757 nan 8.370 nan 0.000 0.456 152 F N -0.674 119.295 119.950 0.032 0.000 2.451 152 F HA 0.128 4.670 4.527 0.025 0.000 0.299 152 F C 1.189 177.068 175.800 0.131 0.000 1.101 152 F CA 0.416 58.472 58.000 0.093 0.000 1.436 152 F CB -0.224 38.830 39.000 0.090 0.000 1.074 152 F HN -0.057 nan 8.300 nan 0.000 0.553 153 L N 0.927 121.810 121.223 -0.567 0.000 2.700 153 L HA 0.179 4.534 4.340 0.024 0.000 0.234 153 L C 1.909 178.686 176.870 -0.155 0.000 1.156 153 L CA 0.373 54.966 54.840 -0.411 0.000 0.946 153 L CB -0.179 41.538 42.059 -0.569 0.000 1.216 153 L HN 0.357 nan 8.230 nan 0.000 0.493 154 S N -2.674 112.980 115.700 -0.075 0.000 2.524 154 S HA 0.049 4.534 4.470 0.024 0.000 0.216 154 S C 0.458 175.057 174.600 -0.003 0.000 0.987 154 S CA -0.222 57.960 58.200 -0.031 0.000 0.909 154 S CB 0.275 63.470 63.200 -0.009 0.000 0.781 154 S HN 0.338 nan 8.310 nan 0.000 0.521 155 D N 0.761 121.170 120.400 0.015 0.000 2.990 155 D HA 0.300 4.954 4.640 0.024 0.000 0.227 155 D C -2.575 173.745 176.300 0.034 0.000 1.249 155 D CA -1.777 52.239 54.000 0.026 0.000 0.891 155 D CB 2.391 43.213 40.800 0.037 0.000 1.647 155 D HN -0.142 nan 8.370 nan 0.000 0.530 156 P HA -0.029 nan 4.420 nan 0.000 0.228 156 P C 0.462 177.787 177.300 0.042 0.000 1.151 156 P CA 0.606 63.727 63.100 0.036 0.000 0.770 156 P CB 0.464 32.190 31.700 0.043 0.000 0.786 157 N N -0.360 118.366 118.700 0.044 0.000 2.280 157 N HA 0.016 4.771 4.740 0.024 0.000 0.192 157 N C 0.566 176.113 175.510 0.062 0.000 1.109 157 N CA 0.103 53.181 53.050 0.046 0.000 0.855 157 N CB 0.372 38.880 38.487 0.035 0.000 0.974 157 N HN 0.254 nan 8.380 nan 0.000 0.482 158 K N 1.823 122.273 120.400 0.083 0.000 2.316 158 K HA 0.215 4.550 4.320 0.024 0.000 0.289 158 K C -0.392 176.307 176.600 0.164 0.000 1.070 158 K CA -0.196 56.163 56.287 0.121 0.000 0.928 158 K CB 0.545 33.129 32.500 0.140 0.000 1.039 158 K HN -0.111 nan 8.250 nan 0.000 0.480 159 I N 4.128 124.793 120.570 0.158 0.000 2.331 159 I HA 0.132 4.317 4.170 0.024 0.000 0.292 159 I C -0.041 176.242 176.117 0.277 0.000 0.998 159 I CA -0.327 61.094 61.300 0.202 0.000 1.267 159 I CB 1.530 39.589 38.000 0.099 0.000 1.386 159 I HN 0.597 nan 8.210 nan 0.000 0.476 160 T N 8.097 122.901 114.554 0.416 0.000 2.770 160 T HA 0.375 4.740 4.350 0.024 0.000 0.283 160 T C -2.470 172.483 174.700 0.422 0.000 0.988 160 T CA -1.357 61.008 62.100 0.440 0.000 0.957 160 T CB 1.776 71.005 68.868 0.603 0.000 0.930 160 T HN 0.291 nan 8.240 nan 0.000 0.443 161 P HA 0.314 nan 4.420 nan 0.000 0.271 161 P C -0.644 176.885 177.300 0.383 0.000 1.216 161 P CA -0.475 62.811 63.100 0.310 0.000 0.776 161 P CB 0.600 32.407 31.700 0.179 0.000 0.881 162 V N 0.221 120.308 119.914 0.288 0.000 3.074 162 V HA 0.728 4.862 4.120 0.024 0.000 0.314 162 V C -1.232 175.029 176.094 0.279 0.000 1.117 162 V CA -1.001 61.392 62.300 0.156 0.000 1.014 162 V CB 2.192 33.897 31.823 -0.197 0.000 1.057 162 V HN 0.320 nan 8.190 nan 0.000 0.438 163 F N 2.040 121.997 119.950 0.011 0.000 2.536 163 F HA 0.837 5.378 4.527 0.025 0.000 0.322 163 F C -0.790 174.923 175.800 -0.145 0.000 1.144 163 F CA -0.692 57.275 58.000 -0.055 0.000 0.924 163 F CB 1.878 40.884 39.000 0.009 0.000 1.181 163 F HN 0.524 nan 8.300 nan 0.000 0.438 164 V N 6.320 125.741 119.914 -0.821 0.000 2.680 164 V HA 0.607 4.742 4.120 0.024 0.000 0.309 164 V C -0.753 174.706 176.094 -1.059 0.000 1.052 164 V CA -0.909 60.871 62.300 -0.866 0.000 0.908 164 V CB 2.109 33.365 31.823 -0.945 0.000 1.001 164 V HN 0.727 nan 8.190 nan 0.000 0.431 165 R N 2.778 122.664 120.500 -1.024 0.000 2.513 165 R HA 0.640 4.994 4.340 0.024 0.000 0.301 165 R C -1.787 173.933 176.300 -0.967 0.000 0.968 165 R CA -0.410 55.194 56.100 -0.827 0.000 0.872 165 R CB 1.300 31.310 30.300 -0.484 0.000 1.177 165 R HN 0.560 nan 8.270 nan 0.000 0.444 166 F N 2.005 121.578 119.950 -0.628 0.000 2.458 166 F HA 0.576 5.117 4.527 0.024 0.000 0.330 166 F C 0.406 175.890 175.800 -0.526 0.000 1.082 166 F CA -0.184 57.323 58.000 -0.822 0.000 0.995 166 F CB 2.240 40.248 39.000 -1.654 0.000 1.170 166 F HN 0.660 nan 8.300 nan 0.000 0.478 167 S N -0.885 114.765 115.700 -0.083 0.000 2.636 167 S HA 0.642 5.126 4.470 0.024 0.000 0.268 167 S C -0.664 174.104 174.600 0.279 0.000 1.159 167 S CA -0.876 57.418 58.200 0.157 0.000 0.815 167 S CB 1.338 64.678 63.200 0.233 0.000 1.130 167 S HN 0.710 nan 8.310 nan 0.000 0.471 168 T N -1.589 113.117 114.554 0.254 0.000 2.888 168 T HA 0.728 5.093 4.350 0.024 0.000 0.283 168 T C 0.772 175.463 174.700 -0.014 0.000 1.013 168 T CA -0.170 62.031 62.100 0.168 0.000 0.938 168 T CB 0.586 69.546 68.868 0.153 0.000 1.298 168 T HN 0.641 nan 8.240 nan 0.000 0.580 169 V N -0.171 119.674 119.914 -0.116 0.000 2.950 169 V HA 0.106 4.241 4.120 0.024 0.000 0.231 169 V C 2.762 178.775 176.094 -0.136 0.000 1.205 169 V CA 0.321 62.429 62.300 -0.319 0.000 1.239 169 V CB -0.359 31.333 31.823 -0.218 0.000 1.050 169 V HN 0.867 nan 8.190 nan 0.000 0.498 170 Q N 1.119 120.875 119.800 -0.074 0.000 2.049 170 Q HA 0.034 4.389 4.340 0.024 0.000 0.198 170 Q C 1.312 177.289 176.000 -0.039 0.000 0.971 170 Q CA 1.429 57.191 55.803 -0.067 0.000 0.833 170 Q CB -0.436 28.251 28.738 -0.085 0.000 0.896 170 Q HN 0.587 nan 8.270 nan 0.000 0.434 171 G N -0.044 108.748 108.800 -0.014 0.000 2.594 171 G HA2 0.336 4.311 3.960 0.024 0.000 0.243 171 G HA3 0.336 4.311 3.960 0.024 0.000 0.243 171 G C 0.204 175.113 174.900 0.016 0.000 1.229 171 G CA 0.103 45.202 45.100 -0.002 0.000 0.843 171 G HN 0.350 nan 8.290 nan 0.000 0.578 172 G N -0.900 107.906 108.800 0.010 0.000 2.653 172 G HA2 0.474 4.449 3.960 0.024 0.000 0.265 172 G HA3 0.474 4.449 3.960 0.024 0.000 0.265 172 G C 1.324 176.256 174.900 0.054 0.000 1.237 172 G CA 0.405 45.522 45.100 0.027 0.000 0.946 172 G HN 1.097 nan 8.290 nan 0.000 0.522 173 A N -0.874 121.989 122.820 0.071 0.000 2.067 173 A HA 0.165 4.500 4.320 0.024 0.000 0.219 173 A C 2.178 179.807 177.584 0.075 0.000 1.158 173 A CA 1.892 53.991 52.037 0.103 0.000 0.661 173 A CB -0.284 18.794 19.000 0.130 0.000 0.801 173 A HN 1.096 nan 8.150 nan 0.000 0.452 174 G N -0.188 108.636 108.800 0.041 0.000 3.337 174 G HA2 0.328 4.303 3.960 0.024 0.000 0.246 174 G HA3 0.328 4.303 3.960 0.024 0.000 0.246 174 G C 0.716 175.621 174.900 0.009 0.000 1.131 174 G CA 0.655 45.764 45.100 0.015 0.000 0.773 174 G HN 0.642 nan 8.290 nan 0.000 0.544 175 S N -0.082 115.631 115.700 0.021 0.000 2.641 175 S HA 0.711 5.196 4.470 0.024 0.000 0.261 175 S C 0.497 175.111 174.600 0.024 0.000 1.257 175 S CA 0.007 58.215 58.200 0.014 0.000 0.983 175 S CB 1.503 64.712 63.200 0.016 0.000 0.990 175 S HN 0.589 nan 8.310 nan 0.000 0.572 176 A N 0.119 122.948 122.820 0.015 0.000 2.286 176 A HA 0.464 4.798 4.320 0.024 0.000 0.286 176 A C 0.636 178.239 177.584 0.032 0.000 1.097 176 A CA -0.626 51.416 52.037 0.010 0.000 0.821 176 A CB 0.034 19.021 19.000 -0.021 0.000 1.076 176 A HN 0.862 nan 8.150 nan 0.000 0.490 177 D N 0.415 120.824 120.400 0.016 0.000 2.103 177 D HA -0.070 4.584 4.640 0.024 0.000 0.199 177 D C 1.594 177.847 176.300 -0.078 0.000 0.978 177 D CA 2.291 56.303 54.000 0.019 0.000 0.829 177 D CB -0.185 40.600 40.800 -0.026 0.000 0.981 177 D HN 0.674 nan 8.370 nan 0.000 0.464 178 T N -0.316 114.128 114.554 -0.184 0.000 3.268 178 T HA 0.314 4.678 4.350 0.024 0.000 0.244 178 T C 0.831 175.509 174.700 -0.038 0.000 0.915 178 T CA -0.585 61.397 62.100 -0.196 0.000 0.935 178 T CB -0.860 67.829 68.868 -0.298 0.000 1.110 178 T HN -0.069 nan 8.240 nan 0.000 0.573 179 V N -1.184 118.756 119.914 0.044 0.000 3.546 179 V HA 0.486 4.620 4.120 0.024 0.000 0.296 179 V C 0.641 176.856 176.094 0.202 0.000 1.082 179 V CA -1.403 60.971 62.300 0.124 0.000 1.086 179 V CB 0.432 32.318 31.823 0.105 0.000 1.174 179 V HN 0.560 nan 8.190 nan 0.000 0.464 180 R N 1.209 121.864 120.500 0.258 0.000 2.202 180 R HA 0.534 4.888 4.340 0.024 0.000 0.334 180 R C -1.078 175.293 176.300 0.117 0.000 1.036 180 R CA -0.105 56.118 56.100 0.204 0.000 0.878 180 R CB 0.225 30.601 30.300 0.126 0.000 1.067 180 R HN 1.076 nan 8.270 nan 0.000 0.457 181 D N 3.323 123.796 120.400 0.122 0.000 2.798 181 D HA 0.124 4.778 4.640 0.024 0.000 0.265 181 D C -0.724 175.646 176.300 0.117 0.000 1.223 181 D CA -0.613 53.443 54.000 0.093 0.000 0.743 181 D CB 1.041 41.888 40.800 0.078 0.000 1.276 181 D HN 0.223 nan 8.370 nan 0.000 0.421 182 I N 1.269 121.896 120.570 0.094 0.000 2.882 182 I HA 0.277 4.462 4.170 0.024 0.000 0.286 182 I C 0.892 177.058 176.117 0.081 0.000 1.139 182 I CA -0.039 61.287 61.300 0.043 0.000 1.379 182 I CB 0.020 37.968 38.000 -0.085 0.000 1.410 182 I HN 0.274 nan 8.210 nan 0.000 0.594 183 R N 2.405 122.985 120.500 0.133 0.000 2.637 183 R HA 0.610 4.964 4.340 0.024 0.000 0.291 183 R C -0.088 176.404 176.300 0.320 0.000 0.963 183 R CA -0.783 55.464 56.100 0.244 0.000 0.901 183 R CB 1.513 31.999 30.300 0.310 0.000 1.160 183 R HN 0.820 nan 8.270 nan 0.000 0.457 184 G N 0.725 109.771 108.800 0.409 0.000 2.412 184 G HA2 0.542 4.517 3.960 0.024 0.000 0.318 184 G HA3 0.542 4.517 3.960 0.024 0.000 0.318 184 G C -1.362 173.670 174.900 0.219 0.000 1.146 184 G CA -0.111 45.248 45.100 0.431 0.000 0.882 184 G HN 0.341 nan 8.290 nan 0.000 0.501 185 F N 1.689 121.590 119.950 -0.083 0.000 2.949 185 F HA 0.628 5.170 4.527 0.024 0.000 0.376 185 F C -0.113 175.402 175.800 -0.475 0.000 1.205 185 F CA -1.677 56.148 58.000 -0.290 0.000 1.155 185 F CB 1.052 40.002 39.000 -0.082 0.000 1.495 185 F HN 0.656 nan 8.300 nan 0.000 0.551 186 A N 3.210 125.731 122.820 -0.498 0.000 2.288 186 A HA 0.793 5.128 4.320 0.024 0.000 0.320 186 A C -0.568 176.547 177.584 -0.781 0.000 1.217 186 A CA -0.394 51.174 52.037 -0.782 0.000 0.840 186 A CB 0.732 18.860 19.000 -1.453 0.000 1.179 186 A HN 0.527 nan 8.150 nan 0.000 0.504 187 T N 2.342 116.614 114.554 -0.469 0.000 2.840 187 T HA 0.361 4.726 4.350 0.024 0.000 0.287 187 T C -0.405 174.126 174.700 -0.282 0.000 0.991 187 T CA -0.492 61.356 62.100 -0.419 0.000 0.964 187 T CB 1.100 69.648 68.868 -0.533 0.000 0.954 187 T HN 0.632 nan 8.240 nan 0.000 0.438 188 K N 3.509 123.818 120.400 -0.152 0.000 2.264 188 K HA 0.439 4.774 4.320 0.024 0.000 0.277 188 K C -1.220 175.095 176.600 -0.475 0.000 1.067 188 K CA -0.575 55.552 56.287 -0.267 0.000 0.900 188 K CB 0.233 32.523 32.500 -0.350 0.000 1.124 188 K HN 0.378 nan 8.250 nan 0.000 0.469 189 F N 4.287 123.969 119.950 -0.448 0.000 2.391 189 F HA 0.228 4.769 4.527 0.024 0.000 0.359 189 F C -0.360 175.245 175.800 -0.324 0.000 1.122 189 F CA -0.627 57.169 58.000 -0.340 0.000 1.120 189 F CB 0.622 39.353 39.000 -0.448 0.000 1.142 189 F HN 0.418 nan 8.300 nan 0.000 0.483 190 Y N 1.794 122.153 120.300 0.099 0.000 2.632 190 Y HA 0.222 4.786 4.550 0.024 0.000 0.336 190 Y C 1.069 177.015 175.900 0.077 0.000 1.237 190 Y CA -0.796 57.339 58.100 0.058 0.000 1.595 190 Y CB -0.265 38.223 38.460 0.045 0.000 1.508 190 Y HN 0.567 nan 8.280 nan 0.000 0.480 191 T N -2.387 112.245 114.554 0.130 0.000 2.847 191 T HA 0.184 4.549 4.350 0.024 0.000 0.279 191 T C 1.023 175.800 174.700 0.128 0.000 0.984 191 T CA -0.681 61.495 62.100 0.126 0.000 0.988 191 T CB 1.114 70.015 68.868 0.055 0.000 1.040 191 T HN 0.634 nan 8.240 nan 0.000 0.528 192 E N -0.001 120.282 120.200 0.139 0.000 2.347 192 E HA -0.030 4.335 4.350 0.024 0.000 0.196 192 E C 1.007 177.665 176.600 0.096 0.000 1.008 192 E CA 0.718 57.186 56.400 0.114 0.000 0.852 192 E CB 0.139 29.907 29.700 0.113 0.000 0.783 192 E HN 0.732 nan 8.360 nan 0.000 0.505 193 E N 0.128 120.385 120.200 0.094 0.000 2.685 193 E HA 0.264 4.629 4.350 0.024 0.000 0.208 193 E C -0.085 176.551 176.600 0.061 0.000 0.996 193 E CA -0.302 56.147 56.400 0.080 0.000 1.054 193 E CB 1.261 31.013 29.700 0.086 0.000 1.075 193 E HN 0.190 nan 8.360 nan 0.000 0.460 194 G N 0.941 109.770 108.800 0.048 0.000 2.406 194 G HA2 -0.113 3.862 3.960 0.024 0.000 0.680 194 G HA3 -0.113 3.862 3.960 0.024 0.000 0.680 194 G C -0.893 174.002 174.900 -0.008 0.000 1.338 194 G CA -1.162 43.945 45.100 0.010 0.000 0.941 194 G HN 0.012 nan 8.290 nan 0.000 0.633 195 I N 0.607 121.142 120.570 -0.058 0.000 2.648 195 I HA 0.416 4.601 4.170 0.024 0.000 0.284 195 I C 0.192 176.313 176.117 0.007 0.000 1.153 195 I CA -0.086 61.159 61.300 -0.091 0.000 1.426 195 I CB 0.683 38.567 38.000 -0.193 0.000 1.381 195 I HN 0.483 nan 8.210 nan 0.000 0.571 196 F N 6.322 126.162 119.950 -0.183 0.000 2.477 196 F HA 0.450 4.991 4.527 0.024 0.000 0.335 196 F C -0.721 175.049 175.800 -0.051 0.000 1.130 196 F CA -1.253 56.634 58.000 -0.188 0.000 0.948 196 F CB 0.878 39.607 39.000 -0.452 0.000 1.154 196 F HN 0.347 nan 8.300 nan 0.000 0.439 197 D N 6.518 126.694 120.400 -0.374 0.000 2.303 197 D HA 0.279 4.933 4.640 0.024 0.000 0.236 197 D C -1.025 174.796 176.300 -0.799 0.000 1.068 197 D CA -0.099 53.645 54.000 -0.427 0.000 0.830 197 D CB 2.116 42.858 40.800 -0.097 0.000 1.109 197 D HN 0.501 nan 8.370 nan 0.000 0.496 198 L N 3.888 124.658 121.223 -0.756 0.000 2.283 198 L HA 0.295 4.649 4.340 0.024 0.000 0.281 198 L C -1.117 175.552 176.870 -0.336 0.000 1.033 198 L CA -0.708 53.770 54.840 -0.604 0.000 0.848 198 L CB 1.138 42.852 42.059 -0.576 0.000 1.226 198 L HN 0.077 nan 8.230 nan 0.000 0.429 199 V N 6.168 125.902 119.914 -0.300 0.000 2.284 199 V HA 0.691 4.825 4.120 0.024 0.000 0.260 199 V C 0.939 176.891 176.094 -0.236 0.000 1.084 199 V CA 0.103 62.221 62.300 -0.302 0.000 0.894 199 V CB -0.135 31.479 31.823 -0.349 0.000 1.119 199 V HN 0.868 nan 8.190 nan 0.000 0.484 200 G N 2.666 111.360 108.800 -0.177 0.000 2.938 200 G HA2 0.712 4.687 3.960 0.024 0.000 0.258 200 G HA3 0.712 4.687 3.960 0.024 0.000 0.258 200 G C -0.968 173.943 174.900 0.019 0.000 1.356 200 G CA -0.525 44.512 45.100 -0.106 0.000 1.052 200 G HN 0.628 nan 8.290 nan 0.000 0.550 201 H N -1.498 117.632 119.070 0.101 0.000 2.931 201 H HA 0.240 4.811 4.556 0.024 0.000 0.331 201 H C 0.235 175.729 175.328 0.276 0.000 1.273 201 H CA -0.753 55.409 56.048 0.191 0.000 1.171 201 H CB 2.029 31.889 29.762 0.162 0.000 1.898 201 H HN 0.495 nan 8.280 nan 0.000 0.562 202 N N 0.044 118.992 118.700 0.414 0.000 2.270 202 N HA -0.021 4.734 4.740 0.024 0.000 0.198 202 N C -0.297 175.465 175.510 0.421 0.000 1.117 202 N CA 0.087 53.400 53.050 0.438 0.000 0.845 202 N CB 0.363 39.076 38.487 0.376 0.000 0.980 202 N HN 0.532 nan 8.380 nan 0.000 0.486 203 T N -3.507 111.121 114.554 0.123 0.000 2.906 203 T HA 0.467 4.831 4.350 0.024 0.000 0.295 203 T C -2.597 171.509 174.700 -0.990 0.000 1.061 203 T CA -1.667 60.112 62.100 -0.534 0.000 1.000 203 T CB 2.914 71.390 68.868 -0.654 0.000 1.103 203 T HN -0.262 nan 8.240 nan 0.000 0.486 204 P HA 0.199 nan 4.420 nan 0.000 0.245 204 P C 0.330 177.116 177.300 -0.857 0.000 1.212 204 P CA 0.127 62.340 63.100 -1.478 0.000 0.774 204 P CB -0.169 30.634 31.700 -1.496 0.000 0.999 205 I N -4.580 115.472 120.570 -0.864 0.000 3.095 205 I HA 0.539 4.724 4.170 0.024 0.000 0.310 205 I C -1.393 174.458 176.117 -0.442 0.000 1.196 205 I CA -2.126 58.808 61.300 -0.610 0.000 0.985 205 I CB 1.445 39.032 38.000 -0.689 0.000 1.250 205 I HN -0.249 nan 8.210 nan 0.000 0.446 206 F N 1.356 121.049 119.950 -0.428 0.000 2.572 206 F HA 0.534 5.076 4.527 0.024 0.000 0.342 206 F C 0.361 175.958 175.800 -0.338 0.000 1.064 206 F CA -0.675 57.126 58.000 -0.332 0.000 1.008 206 F CB 1.794 40.717 39.000 -0.129 0.000 1.303 206 F HN 0.406 nan 8.300 nan 0.000 0.492 207 F N 2.037 121.217 119.950 -1.283 0.000 2.206 207 F HA 0.051 4.592 4.527 0.024 0.000 0.298 207 F C 0.659 176.195 175.800 -0.440 0.000 1.090 207 F CA 0.736 58.200 58.000 -0.892 0.000 1.323 207 F CB -0.243 37.893 39.000 -1.439 0.000 1.028 207 F HN 0.130 nan 8.300 nan 0.000 0.492 208 I N -3.136 117.433 120.570 -0.001 0.000 2.957 208 I HA 0.397 4.581 4.170 0.024 0.000 0.310 208 I C 0.466 176.721 176.117 0.231 0.000 1.063 208 I CA -0.847 60.542 61.300 0.148 0.000 1.033 208 I CB 1.785 39.921 38.000 0.227 0.000 1.230 208 I HN -0.150 nan 8.210 nan 0.000 0.447 209 Q N 0.275 120.206 119.800 0.218 0.000 2.259 209 Q HA 0.114 4.469 4.340 0.024 0.000 0.201 209 Q C -0.178 175.969 176.000 0.246 0.000 0.938 209 Q CA 0.728 56.689 55.803 0.263 0.000 0.872 209 Q CB 0.391 29.334 28.738 0.341 0.000 0.971 209 Q HN 0.666 nan 8.270 nan 0.000 0.494 210 D N -1.266 119.260 120.400 0.210 0.000 2.350 210 D HA 0.303 4.958 4.640 0.024 0.000 0.245 210 D C 0.059 176.478 176.300 0.198 0.000 1.036 210 D CA -0.161 53.940 54.000 0.168 0.000 0.848 210 D CB 1.838 42.714 40.800 0.127 0.000 1.307 210 D HN 0.059 nan 8.370 nan 0.000 0.469 211 A N 3.296 126.205 122.820 0.149 0.000 1.978 211 A HA -0.242 4.093 4.320 0.024 0.000 0.220 211 A C 1.851 179.552 177.584 0.195 0.000 1.170 211 A CA 1.846 53.967 52.037 0.139 0.000 0.636 211 A CB -0.860 18.170 19.000 0.050 0.000 0.810 211 A HN 0.847 nan 8.150 nan 0.000 0.448 212 H N 0.066 119.194 119.070 0.097 0.000 2.426 212 H HA -0.096 4.475 4.556 0.025 0.000 0.298 212 H C 1.359 176.765 175.328 0.131 0.000 1.107 212 H CA 1.978 58.079 56.048 0.088 0.000 1.298 212 H CB 0.186 29.976 29.762 0.048 0.000 1.377 212 H HN 0.251 nan 8.280 nan 0.000 0.519 213 K N -0.204 120.333 120.400 0.228 0.000 2.444 213 K HA -0.053 4.282 4.320 0.024 0.000 0.193 213 K C 1.637 178.377 176.600 0.232 0.000 1.024 213 K CA 0.107 56.526 56.287 0.220 0.000 1.077 213 K CB -0.360 32.321 32.500 0.301 0.000 0.833 213 K HN 0.337 nan 8.250 nan 0.000 0.517 214 F N 3.116 123.125 119.950 0.098 0.000 2.091 214 F HA -0.172 4.370 4.527 0.024 0.000 0.299 214 F C -0.884 174.926 175.800 0.018 0.000 1.103 214 F CA 1.635 59.709 58.000 0.123 0.000 1.228 214 F CB -0.604 38.462 39.000 0.111 0.000 0.984 214 F HN 0.062 nan 8.300 nan 0.000 0.477 215 P HA -0.128 nan 4.420 nan 0.000 0.218 215 P C 0.956 177.954 177.300 -0.504 0.000 1.149 215 P CA 1.660 64.524 63.100 -0.394 0.000 0.817 215 P CB -0.086 31.415 31.700 -0.331 0.000 0.785 216 D N -1.235 119.020 120.400 -0.242 0.000 2.097 216 D HA -0.134 4.521 4.640 0.024 0.000 0.197 216 D C 1.795 177.857 176.300 -0.397 0.000 0.984 216 D CA 0.985 54.887 54.000 -0.163 0.000 0.826 216 D CB -0.767 40.102 40.800 0.116 0.000 0.973 216 D HN 0.156 nan 8.370 nan 0.000 0.460 217 F N 1.926 121.518 119.950 -0.596 0.000 2.102 217 F HA -0.208 4.333 4.527 0.024 0.000 0.298 217 F C 2.244 177.687 175.800 -0.594 0.000 1.105 217 F CA 1.050 58.515 58.000 -0.891 0.000 1.239 217 F CB -0.224 38.436 39.000 -0.567 0.000 0.991 217 F HN -0.259 nan 8.300 nan 0.000 0.474 218 V N 0.553 120.080 119.914 -0.645 0.000 2.287 218 V HA -0.374 3.761 4.120 0.024 0.000 0.248 218 V C 2.295 178.180 176.094 -0.348 0.000 1.053 218 V CA 2.557 64.511 62.300 -0.575 0.000 1.027 218 V CB -1.176 30.321 31.823 -0.543 0.000 0.646 218 V HN 0.482 nan 8.190 nan 0.000 0.447 219 H N -0.244 118.621 119.070 -0.341 0.000 2.387 219 H HA -0.125 4.445 4.556 0.024 0.000 0.299 219 H C 2.312 177.511 175.328 -0.215 0.000 1.099 219 H CA 1.001 56.922 56.048 -0.212 0.000 1.315 219 H CB -0.012 29.674 29.762 -0.127 0.000 1.380 219 H HN 0.491 nan 8.280 nan 0.000 0.513 220 A N 0.411 123.091 122.820 -0.232 0.000 1.930 220 A HA -0.099 4.236 4.320 0.024 0.000 0.217 220 A C 2.491 179.979 177.584 -0.159 0.000 1.175 220 A CA 1.285 53.195 52.037 -0.212 0.000 0.627 220 A CB -0.599 18.176 19.000 -0.376 0.000 0.815 220 A HN 0.302 nan 8.150 nan 0.000 0.443 221 V N -0.236 119.477 119.914 -0.334 0.000 2.649 221 V HA 0.007 4.142 4.120 0.024 0.000 0.248 221 V C 0.953 177.030 176.094 -0.028 0.000 1.054 221 V CA 0.806 62.944 62.300 -0.269 0.000 1.073 221 V CB -0.393 31.056 31.823 -0.624 0.000 0.699 221 V HN 0.354 nan 8.190 nan 0.000 0.463 222 K N 1.045 121.396 120.400 -0.082 0.000 2.187 222 K HA 0.219 4.554 4.320 0.024 0.000 0.247 222 K C -2.308 174.252 176.600 -0.067 0.000 1.019 222 K CA -1.565 54.680 56.287 -0.070 0.000 0.893 222 K CB -0.263 32.192 32.500 -0.074 0.000 1.025 222 K HN 0.169 nan 8.250 nan 0.000 0.500 223 P HA -0.023 nan 4.420 nan 0.000 0.265 223 P C -0.664 176.591 177.300 -0.075 0.000 1.193 223 P CA 0.375 63.356 63.100 -0.198 0.000 0.765 223 P CB 0.288 31.869 31.700 -0.199 0.000 0.823 224 E N 5.507 125.702 120.200 -0.008 0.000 2.452 224 E HA -0.045 4.320 4.350 0.024 0.000 0.261 224 E C -1.184 175.518 176.600 0.170 0.000 0.987 224 E CA -1.097 55.417 56.400 0.191 0.000 0.926 224 E CB 0.100 30.047 29.700 0.413 0.000 0.934 224 E HN 0.440 nan 8.360 nan 0.000 0.452 225 P HA -0.202 nan 4.420 nan 0.000 0.223 225 P C 0.895 178.285 177.300 0.150 0.000 1.151 225 P CA 1.363 64.523 63.100 0.101 0.000 0.787 225 P CB 0.084 31.806 31.700 0.037 0.000 0.788 226 H N -0.619 118.490 119.070 0.065 0.000 2.317 226 H HA -0.061 4.510 4.556 0.024 0.000 0.304 226 H C 1.497 176.922 175.328 0.161 0.000 1.067 226 H CA 1.326 57.397 56.048 0.039 0.000 1.352 226 H CB -1.470 28.242 29.762 -0.083 0.000 1.398 226 H HN 0.279 nan 8.280 nan 0.000 0.510 227 W N 0.311 121.230 121.300 -0.636 0.000 3.008 227 W HA 0.705 5.380 4.660 0.024 0.000 0.355 227 W C 0.396 176.751 176.519 -0.274 0.000 1.095 227 W CA -1.377 55.732 57.345 -0.394 0.000 1.738 227 W CB -0.922 28.276 29.460 -0.437 0.000 1.091 227 W HN 0.476 nan 8.180 nan 0.000 0.574 228 A N 1.279 124.083 122.820 -0.027 0.000 2.519 228 A HA -0.128 4.207 4.320 0.024 0.000 0.297 228 A C -0.444 176.923 177.584 -0.362 0.000 1.472 228 A CA 1.417 53.364 52.037 -0.150 0.000 0.739 228 A CB -2.371 16.566 19.000 -0.104 0.000 1.096 228 A HN 0.493 nan 8.150 nan 0.000 0.414 229 I N 0.830 121.046 120.570 -0.591 0.000 2.722 229 I HA 0.564 4.749 4.170 0.024 0.000 0.295 229 I C -2.541 173.257 176.117 -0.533 0.000 1.161 229 I CA -2.262 58.586 61.300 -0.754 0.000 1.032 229 I CB 3.126 40.187 38.000 -1.565 0.000 1.244 229 I HN 0.257 nan 8.210 nan 0.000 0.421 230 P HA 0.324 nan 4.420 nan 0.000 0.292 230 P C -1.604 175.539 177.300 -0.261 0.000 1.308 230 P CA -0.890 61.988 63.100 -0.371 0.000 0.933 230 P CB 1.639 33.190 31.700 -0.249 0.000 1.217 231 Q N 0.735 120.424 119.800 -0.184 0.000 2.296 231 Q HA 0.460 4.815 4.340 0.024 0.000 0.262 231 Q C 1.147 177.110 176.000 -0.062 0.000 0.981 231 Q CA 1.222 56.954 55.803 -0.117 0.000 0.905 231 Q CB -0.577 28.101 28.738 -0.099 0.000 1.186 231 Q HN 0.820 nan 8.270 nan 0.000 0.399 232 G N 3.328 112.101 108.800 -0.045 0.000 2.225 232 G HA2 -0.301 3.673 3.960 0.024 0.000 0.267 232 G HA3 -0.301 3.673 3.960 0.024 0.000 0.267 232 G C -0.348 174.561 174.900 0.016 0.000 1.024 232 G CA 0.621 45.716 45.100 -0.008 0.000 0.784 232 G HN 0.552 nan 8.290 nan 0.000 0.507 233 Q N -1.224 118.577 119.800 0.002 0.000 2.345 233 Q HA 0.563 4.917 4.340 0.024 0.000 0.275 233 Q C 0.796 176.814 176.000 0.030 0.000 1.063 233 Q CA -0.158 55.675 55.803 0.050 0.000 0.819 233 Q CB 1.783 30.586 28.738 0.109 0.000 1.356 233 Q HN 0.409 nan 8.270 nan 0.000 0.418 234 S N -0.669 114.975 115.700 -0.093 0.000 2.575 234 S HA 0.212 4.696 4.470 0.024 0.000 0.215 234 S C 0.838 175.432 174.600 -0.010 0.000 0.966 234 S CA -0.058 57.905 58.200 -0.394 0.000 0.911 234 S CB 0.379 62.903 63.200 -1.126 0.000 0.780 234 S HN 0.584 nan 8.310 nan 0.000 0.514 235 A N 2.456 125.425 122.820 0.250 0.000 3.037 235 A HA 0.538 4.872 4.320 0.024 0.000 0.272 235 A C 0.064 177.876 177.584 0.381 0.000 1.723 235 A CA -0.583 51.659 52.037 0.342 0.000 1.413 235 A CB -1.188 17.951 19.000 0.233 0.000 1.112 235 A HN 0.872 nan 8.150 nan 0.000 0.606 236 H N -3.259 115.989 119.070 0.296 0.000 3.014 236 H HA 0.466 5.037 4.556 0.025 0.000 0.337 236 H C -0.232 175.280 175.328 0.307 0.000 1.320 236 H CA -0.766 55.429 56.048 0.244 0.000 1.128 236 H CB 0.237 30.112 29.762 0.188 0.000 1.862 236 H HN 0.095 nan 8.280 nan 0.000 0.536 237 D N 0.291 120.865 120.400 0.291 0.000 2.133 237 D HA -0.243 4.411 4.640 0.024 0.000 0.192 237 D C 2.139 178.511 176.300 0.120 0.000 1.001 237 D CA 3.256 57.365 54.000 0.182 0.000 0.844 237 D CB -0.337 40.554 40.800 0.152 0.000 0.944 237 D HN 0.787 nan 8.370 nan 0.000 0.447 238 T N -1.899 112.724 114.554 0.114 0.000 2.867 238 T HA -0.165 4.200 4.350 0.024 0.000 0.268 238 T C 1.878 176.533 174.700 -0.076 0.000 1.057 238 T CA 0.546 62.678 62.100 0.052 0.000 1.136 238 T CB -0.646 68.304 68.868 0.137 0.000 0.874 238 T HN 0.127 nan 8.240 nan 0.000 0.466 239 F N 1.047 120.724 119.950 -0.455 0.000 2.051 239 F HA 0.049 4.590 4.527 0.024 0.000 0.296 239 F C 1.889 177.420 175.800 -0.448 0.000 1.122 239 F CA 0.873 58.515 58.000 -0.596 0.000 1.201 239 F CB -0.750 37.719 39.000 -0.885 0.000 0.978 239 F HN 0.160 nan 8.300 nan 0.000 0.472 240 W N 0.627 121.852 121.300 -0.125 0.000 2.392 240 W HA -0.136 4.539 4.660 0.025 0.000 0.279 240 W C 2.338 178.773 176.519 -0.140 0.000 1.225 240 W CA 1.162 58.421 57.345 -0.142 0.000 1.233 240 W CB -0.699 28.753 29.460 -0.014 0.000 1.122 240 W HN 0.100 nan 8.180 nan 0.000 0.561 241 D N -0.718 119.715 120.400 0.055 0.000 2.097 241 D HA -0.291 4.364 4.640 0.024 0.000 0.195 241 D C 1.885 178.176 176.300 -0.015 0.000 0.989 241 D CA 1.438 55.456 54.000 0.031 0.000 0.827 241 D CB -0.532 40.298 40.800 0.050 0.000 0.966 241 D HN 0.192 nan 8.370 nan 0.000 0.456 242 Y N 0.281 120.466 120.300 -0.193 0.000 2.181 242 Y HA -0.153 4.412 4.550 0.025 0.000 0.288 242 Y C 2.206 177.960 175.900 -0.243 0.000 1.146 242 Y CA 1.284 59.257 58.100 -0.211 0.000 1.164 242 Y CB -0.327 37.979 38.460 -0.256 0.000 0.982 242 Y HN -0.107 nan 8.280 nan 0.000 0.515 243 V N -0.107 119.673 119.914 -0.223 0.000 2.343 243 V HA -0.294 3.841 4.120 0.024 0.000 0.247 243 V C 2.588 178.630 176.094 -0.087 0.000 1.051 243 V CA 2.121 64.290 62.300 -0.218 0.000 1.036 243 V CB -1.108 30.451 31.823 -0.441 0.000 0.654 243 V HN 0.637 nan 8.190 nan 0.000 0.451 244 S N -0.396 115.294 115.700 -0.016 0.000 2.447 244 S HA -0.034 4.451 4.470 0.024 0.000 0.233 244 S C 1.702 176.274 174.600 -0.047 0.000 1.006 244 S CA 1.223 59.435 58.200 0.020 0.000 0.957 244 S CB -0.398 62.842 63.200 0.067 0.000 0.773 244 S HN 0.555 nan 8.310 nan 0.000 0.507 245 L N -0.049 121.101 121.223 -0.123 0.000 2.585 245 L HA 0.322 4.676 4.340 0.024 0.000 0.226 245 L C 0.431 177.146 176.870 -0.258 0.000 1.113 245 L CA 0.126 54.867 54.840 -0.165 0.000 0.876 245 L CB 0.052 42.004 42.059 -0.178 0.000 1.072 245 L HN 0.266 nan 8.230 nan 0.000 0.468 246 Q N 0.265 119.879 119.800 -0.310 0.000 2.695 246 Q HA 0.245 4.599 4.340 0.024 0.000 0.246 246 Q C -1.992 173.822 176.000 -0.310 0.000 0.961 246 Q CA -1.521 54.068 55.803 -0.356 0.000 0.708 246 Q CB 1.762 30.207 28.738 -0.488 0.000 1.282 246 Q HN -0.055 nan 8.270 nan 0.000 0.482 247 P HA -0.205 nan 4.420 nan 0.000 0.225 247 P C 1.015 178.050 177.300 -0.442 0.000 1.148 247 P CA 1.095 63.969 63.100 -0.377 0.000 0.779 247 P CB 0.270 31.717 31.700 -0.421 0.000 0.780 248 E N 0.370 120.207 120.200 -0.605 0.000 2.209 248 E HA -0.179 4.185 4.350 0.024 0.000 0.196 248 E C 1.492 178.050 176.600 -0.071 0.000 0.993 248 E CA 1.820 58.061 56.400 -0.266 0.000 0.819 248 E CB -1.346 28.251 29.700 -0.171 0.000 0.745 248 E HN 0.286 nan 8.360 nan 0.000 0.477 249 T N -0.440 114.082 114.554 -0.054 0.000 3.035 249 T HA 0.001 4.366 4.350 0.024 0.000 0.268 249 T C 1.982 176.751 174.700 0.115 0.000 1.109 249 T CA 0.460 62.591 62.100 0.050 0.000 1.119 249 T CB -0.386 68.526 68.868 0.073 0.000 0.900 249 T HN 0.146 nan 8.240 nan 0.000 0.503 250 L N 0.127 121.420 121.223 0.117 0.000 2.043 250 L HA -0.151 4.204 4.340 0.024 0.000 0.212 250 L C 2.849 179.884 176.870 0.275 0.000 1.075 250 L CA 2.101 57.076 54.840 0.225 0.000 0.752 250 L CB -0.845 41.358 42.059 0.240 0.000 0.891 250 L HN 0.479 nan 8.230 nan 0.000 0.432 251 H N -0.009 119.113 119.070 0.086 0.000 2.267 251 H HA -0.221 4.350 4.556 0.025 0.000 0.297 251 H C 2.234 177.564 175.328 0.002 0.000 1.080 251 H CA 1.887 57.976 56.048 0.069 0.000 1.278 251 H CB 0.170 29.930 29.762 -0.005 0.000 1.365 251 H HN 0.358 nan 8.280 nan 0.000 0.489 252 N N -0.185 118.385 118.700 -0.218 0.000 2.244 252 N HA -0.132 4.622 4.740 0.024 0.000 0.183 252 N C 1.930 177.303 175.510 -0.229 0.000 1.016 252 N CA 0.741 53.457 53.050 -0.557 0.000 0.866 252 N CB 0.248 38.002 38.487 -1.222 0.000 0.980 252 N HN 0.122 nan 8.380 nan 0.000 0.430 253 V N 1.639 121.614 119.914 0.102 0.000 2.343 253 V HA -0.247 3.887 4.120 0.024 0.000 0.247 253 V C 2.479 178.711 176.094 0.230 0.000 1.051 253 V CA 1.237 63.715 62.300 0.297 0.000 1.036 253 V CB -0.347 31.702 31.823 0.378 0.000 0.654 253 V HN 0.402 nan 8.190 nan 0.000 0.451 254 M N -1.581 118.190 119.600 0.285 0.000 2.108 254 M HA -0.215 4.280 4.480 0.024 0.000 0.261 254 M C 2.083 178.407 176.300 0.039 0.000 1.066 254 M CA 1.909 57.380 55.300 0.285 0.000 1.107 254 M CB -1.247 31.568 32.600 0.358 0.000 1.356 254 M HN 0.475 nan 8.290 nan 0.000 0.406 255 W N 0.531 121.597 121.300 -0.390 0.000 2.358 255 W HA -0.071 4.604 4.660 0.024 0.000 0.303 255 W C 2.810 179.270 176.519 -0.098 0.000 1.208 255 W CA 1.738 58.856 57.345 -0.378 0.000 1.274 255 W CB -1.125 28.023 29.460 -0.520 0.000 1.138 255 W HN 0.287 nan 8.180 nan 0.000 0.515 256 A N -0.609 122.284 122.820 0.122 0.000 1.969 256 A HA -0.166 4.169 4.320 0.024 0.000 0.218 256 A C 1.926 179.550 177.584 0.066 0.000 1.169 256 A CA 1.584 53.687 52.037 0.110 0.000 0.635 256 A CB -0.555 18.530 19.000 0.141 0.000 0.810 256 A HN 0.105 nan 8.150 nan 0.000 0.445 257 M N 0.557 120.157 119.600 0.000 0.000 2.492 257 M HA 0.025 4.520 4.480 0.024 0.000 0.262 257 M C 1.483 177.811 176.300 0.047 0.000 1.090 257 M CA 0.776 56.016 55.300 -0.100 0.000 1.110 257 M CB -1.329 30.954 32.600 -0.527 0.000 1.407 257 M HN 0.544 nan 8.290 nan 0.000 0.470 258 S N 0.390 116.182 115.700 0.152 0.000 2.626 258 S HA 0.062 4.546 4.470 0.024 0.000 0.257 258 S C 0.777 175.495 174.600 0.197 0.000 1.288 258 S CA -0.330 57.997 58.200 0.212 0.000 0.980 258 S CB 0.996 64.362 63.200 0.278 0.000 0.975 258 S HN 0.183 nan 8.310 nan 0.000 0.577 259 D N 0.286 120.824 120.400 0.229 0.000 2.350 259 D HA 0.008 4.662 4.640 0.024 0.000 0.216 259 D C 1.921 178.357 176.300 0.227 0.000 0.968 259 D CA 0.435 54.592 54.000 0.262 0.000 0.894 259 D CB -0.156 40.870 40.800 0.376 0.000 0.909 259 D HN 0.388 nan 8.370 nan 0.000 0.520 260 R N 0.191 120.815 120.500 0.207 0.000 2.159 260 R HA -0.058 4.297 4.340 0.024 0.000 0.237 260 R C 2.077 178.517 176.300 0.234 0.000 1.131 260 R CA 1.010 57.252 56.100 0.237 0.000 0.982 260 R CB -0.826 29.668 30.300 0.323 0.000 0.868 260 R HN 0.192 nan 8.270 nan 0.000 0.453 261 G N 1.264 110.189 108.800 0.209 0.000 2.679 261 G HA2 -0.029 3.945 3.960 0.024 0.000 0.212 261 G HA3 -0.029 3.945 3.960 0.024 0.000 0.212 261 G C 1.006 176.032 174.900 0.210 0.000 1.137 261 G CA 0.120 45.334 45.100 0.190 0.000 0.787 261 G HN 0.415 nan 8.290 nan 0.000 0.534 262 I N -2.099 118.608 120.570 0.229 0.000 2.871 262 I HA 0.369 4.553 4.170 0.024 0.000 0.284 262 I C -2.944 173.322 176.117 0.249 0.000 1.390 262 I CA -2.614 58.830 61.300 0.240 0.000 0.958 262 I CB 1.829 39.972 38.000 0.238 0.000 1.618 262 I HN -0.267 nan 8.210 nan 0.000 0.595 263 P HA 0.104 nan 4.420 nan 0.000 0.270 263 P C 0.565 178.014 177.300 0.249 0.000 1.223 263 P CA -0.211 63.008 63.100 0.200 0.000 0.785 263 P CB 1.025 32.786 31.700 0.103 0.000 0.923 264 R N 1.140 121.761 120.500 0.202 0.000 2.148 264 R HA 0.071 4.425 4.340 0.024 0.000 0.223 264 R C 0.315 176.757 176.300 0.236 0.000 1.088 264 R CA 1.342 57.604 56.100 0.271 0.000 0.985 264 R CB -0.268 30.170 30.300 0.230 0.000 0.880 264 R HN 0.520 nan 8.270 nan 0.000 0.451 265 S N -2.733 112.912 115.700 -0.091 0.000 2.578 265 S HA 0.187 4.671 4.470 0.024 0.000 0.272 265 S C -0.485 173.796 174.600 -0.530 0.000 1.145 265 S CA -0.875 57.091 58.200 -0.391 0.000 0.835 265 S CB 0.019 63.129 63.200 -0.149 0.000 1.104 265 S HN 0.099 nan 8.310 nan 0.000 0.458 266 Y N 1.991 121.929 120.300 -0.604 0.000 2.497 266 Y HA 0.127 4.692 4.550 0.024 0.000 0.292 266 Y C 2.372 177.934 175.900 -0.563 0.000 1.137 266 Y CA 0.902 58.531 58.100 -0.786 0.000 1.285 266 Y CB -0.253 37.391 38.460 -1.361 0.000 0.991 266 Y HN 0.539 nan 8.280 nan 0.000 0.556 267 R N -0.562 119.818 120.500 -0.200 0.000 2.193 267 R HA -0.023 4.332 4.340 0.024 0.000 0.213 267 R C 0.949 177.208 176.300 -0.068 0.000 1.055 267 R CA 1.490 57.516 56.100 -0.123 0.000 0.995 267 R CB -0.260 29.963 30.300 -0.129 0.000 0.893 267 R HN 0.308 nan 8.270 nan 0.000 0.459 268 T N -1.704 112.828 114.554 -0.037 0.000 3.374 268 T HA 0.367 4.732 4.350 0.024 0.000 0.267 268 T C 0.133 174.876 174.700 0.072 0.000 0.996 268 T CA -0.673 61.434 62.100 0.011 0.000 0.977 268 T CB -0.094 68.766 68.868 -0.013 0.000 1.149 268 T HN 0.059 nan 8.240 nan 0.000 0.517 269 M N -1.295 118.393 119.600 0.148 0.000 2.658 269 M HA 0.754 5.248 4.480 0.024 0.000 0.295 269 M C -1.185 175.299 176.300 0.307 0.000 1.248 269 M CA -0.938 54.490 55.300 0.214 0.000 0.843 269 M CB 2.077 34.802 32.600 0.208 0.000 1.749 269 M HN -0.136 nan 8.290 nan 0.000 0.464 270 E N 0.043 120.429 120.200 0.310 0.000 2.280 270 E HA 0.681 5.045 4.350 0.024 0.000 0.264 270 E C -0.510 176.191 176.600 0.169 0.000 1.064 270 E CA -0.689 55.840 56.400 0.215 0.000 0.900 270 E CB 1.933 31.704 29.700 0.118 0.000 1.123 270 E HN 0.859 nan 8.360 nan 0.000 0.418 271 G N 0.986 109.706 108.800 -0.134 0.000 2.542 271 G HA2 0.615 4.589 3.960 0.024 0.000 0.311 271 G HA3 0.615 4.589 3.960 0.024 0.000 0.311 271 G C -1.443 173.125 174.900 -0.554 0.000 1.298 271 G CA -0.427 44.533 45.100 -0.233 0.000 0.973 271 G HN 0.280 nan 8.290 nan 0.000 0.487 272 F N 0.249 120.143 119.950 -0.092 0.000 2.591 272 F HA 0.502 5.044 4.527 0.024 0.000 0.309 272 F C 1.128 176.845 175.800 -0.138 0.000 1.098 272 F CA -0.619 57.268 58.000 -0.188 0.000 0.937 272 F CB 2.627 41.477 39.000 -0.250 0.000 1.250 272 F HN 0.582 nan 8.300 nan 0.000 0.447 273 G N 1.025 109.875 108.800 0.084 0.000 2.551 273 G HA2 0.092 4.067 3.960 0.024 0.000 0.216 273 G HA3 0.092 4.067 3.960 0.024 0.000 0.216 273 G C 1.228 176.166 174.900 0.063 0.000 1.137 273 G CA 0.890 46.083 45.100 0.154 0.000 0.798 273 G HN 0.809 nan 8.290 nan 0.000 0.536 274 I N -0.955 119.590 120.570 -0.042 0.000 4.713 274 I HA -0.329 3.856 4.170 0.024 0.000 0.044 274 I C 0.562 176.554 176.117 -0.208 0.000 0.627 274 I CA 1.634 62.798 61.300 -0.227 0.000 0.714 274 I CB -1.297 36.464 38.000 -0.399 0.000 0.668 274 I HN 0.275 nan 8.210 nan 0.000 0.156 275 H N 2.280 121.337 119.070 -0.022 0.000 2.690 275 H HA 0.226 4.796 4.556 0.024 0.000 0.365 275 H C 0.082 175.325 175.328 -0.141 0.000 1.142 275 H CA 0.494 56.446 56.048 -0.159 0.000 1.417 275 H CB 0.270 29.799 29.762 -0.390 0.000 1.446 275 H HN 0.211 nan 8.280 nan 0.000 0.599 276 T N 3.860 118.365 114.554 -0.082 0.000 2.761 276 T HA 0.231 4.595 4.350 0.024 0.000 0.296 276 T C 0.253 174.876 174.700 -0.128 0.000 0.934 276 T CA -0.002 62.046 62.100 -0.086 0.000 1.091 276 T CB -0.218 68.550 68.868 -0.166 0.000 0.896 276 T HN 0.245 nan 8.240 nan 0.000 0.515 277 F N 1.347 121.251 119.950 -0.077 0.000 2.629 277 F HA 0.634 5.175 4.527 0.024 0.000 0.386 277 F C 1.103 176.864 175.800 -0.065 0.000 1.135 277 F CA -1.370 56.610 58.000 -0.034 0.000 1.116 277 F CB 1.291 40.257 39.000 -0.057 0.000 1.426 277 F HN 0.161 nan 8.300 nan 0.000 0.501 278 R N 0.706 121.265 120.500 0.098 0.000 2.637 278 R HA 0.632 4.987 4.340 0.024 0.000 0.291 278 R C -1.637 174.553 176.300 -0.184 0.000 0.963 278 R CA -0.847 55.175 56.100 -0.130 0.000 0.901 278 R CB 1.840 31.982 30.300 -0.263 0.000 1.160 278 R HN 0.443 nan 8.270 nan 0.000 0.457 279 L N 4.140 125.207 121.223 -0.260 0.000 2.296 279 L HA 0.512 4.867 4.340 0.024 0.000 0.286 279 L C -0.487 176.239 176.870 -0.240 0.000 1.023 279 L CA -0.816 53.880 54.840 -0.240 0.000 0.812 279 L CB 1.379 43.291 42.059 -0.245 0.000 1.223 279 L HN 0.375 nan 8.230 nan 0.000 0.421 280 I N 3.273 123.725 120.570 -0.196 0.000 2.389 280 I HA 0.275 4.460 4.170 0.024 0.000 0.288 280 I C -0.131 175.914 176.117 -0.121 0.000 0.999 280 I CA -0.619 60.576 61.300 -0.175 0.000 1.129 280 I CB 1.442 39.348 38.000 -0.157 0.000 1.288 280 I HN 0.632 nan 8.210 nan 0.000 0.444 281 N N 5.143 123.785 118.700 -0.097 0.000 2.476 281 N HA 0.347 5.101 4.740 0.024 0.000 0.287 281 N C 0.879 176.356 175.510 -0.054 0.000 1.262 281 N CA -0.344 52.664 53.050 -0.069 0.000 0.980 281 N CB 0.422 38.877 38.487 -0.054 0.000 1.163 281 N HN 0.518 nan 8.380 nan 0.000 0.592 282 A N -0.564 122.231 122.820 -0.041 0.000 1.972 282 A HA -0.132 4.203 4.320 0.024 0.000 0.219 282 A C 1.409 178.976 177.584 -0.028 0.000 1.169 282 A CA 1.415 53.433 52.037 -0.033 0.000 0.635 282 A CB -0.819 18.167 19.000 -0.024 0.000 0.810 282 A HN 0.787 nan 8.150 nan 0.000 0.446 283 E N -1.148 119.036 120.200 -0.026 0.000 2.502 283 E HA 0.333 4.697 4.350 0.024 0.000 0.194 283 E C 1.077 177.667 176.600 -0.016 0.000 1.062 283 E CA 0.598 56.986 56.400 -0.020 0.000 0.867 283 E CB -0.153 29.537 29.700 -0.017 0.000 0.888 283 E HN 0.725 nan 8.360 nan 0.000 0.510 284 G N 1.431 110.221 108.800 -0.018 0.000 2.136 284 G HA2 -0.361 3.614 3.960 0.024 0.000 0.242 284 G HA3 -0.361 3.614 3.960 0.024 0.000 0.242 284 G C 0.134 175.051 174.900 0.028 0.000 0.989 284 G CA 0.270 45.372 45.100 0.004 0.000 0.682 284 G HN 0.273 nan 8.290 nan 0.000 0.522 285 K N 0.495 120.884 120.400 -0.018 0.000 2.174 285 K HA 0.713 5.047 4.320 0.024 0.000 0.275 285 K C 0.446 176.964 176.600 -0.138 0.000 1.015 285 K CA 0.064 56.327 56.287 -0.040 0.000 0.933 285 K CB 0.797 33.268 32.500 -0.049 0.000 1.025 285 K HN 0.593 nan 8.250 nan 0.000 0.463 286 A N 3.013 125.684 122.820 -0.248 0.000 2.292 286 A HA 0.464 4.799 4.320 0.024 0.000 0.319 286 A C -0.865 176.444 177.584 -0.458 0.000 1.206 286 A CA -0.557 51.174 52.037 -0.509 0.000 0.835 286 A CB 1.154 19.482 19.000 -1.119 0.000 1.164 286 A HN 0.727 nan 8.150 nan 0.000 0.505 287 T N 2.029 116.335 114.554 -0.413 0.000 2.841 287 T HA 0.556 4.921 4.350 0.024 0.000 0.283 287 T C -0.679 173.807 174.700 -0.356 0.000 1.000 287 T CA -0.163 61.735 62.100 -0.336 0.000 0.977 287 T CB 0.628 69.388 68.868 -0.180 0.000 0.979 287 T HN 0.326 nan 8.240 nan 0.000 0.446 288 F N 1.945 121.798 119.950 -0.161 0.000 2.443 288 F HA 0.530 5.071 4.527 0.024 0.000 0.353 288 F C 0.493 176.174 175.800 -0.198 0.000 1.101 288 F CA -0.541 57.361 58.000 -0.164 0.000 1.226 288 F CB 0.797 39.727 39.000 -0.115 0.000 1.140 288 F HN 0.197 nan 8.300 nan 0.000 0.557 289 V N 5.184 125.056 119.914 -0.069 0.000 2.760 289 V HA 0.588 4.723 4.120 0.024 0.000 0.309 289 V C -0.943 174.929 176.094 -0.370 0.000 1.077 289 V CA -0.767 61.340 62.300 -0.320 0.000 0.910 289 V CB 2.032 33.430 31.823 -0.708 0.000 1.008 289 V HN 0.748 nan 8.190 nan 0.000 0.424 290 R N 5.057 125.393 120.500 -0.273 0.000 2.437 290 R HA 0.515 4.869 4.340 0.024 0.000 0.310 290 R C -1.521 174.710 176.300 -0.114 0.000 0.955 290 R CA -0.453 55.541 56.100 -0.177 0.000 0.851 290 R CB 1.812 32.108 30.300 -0.008 0.000 1.161 290 R HN 0.590 nan 8.270 nan 0.000 0.446 291 F N 2.522 122.497 119.950 0.042 0.000 2.399 291 F HA 0.302 4.843 4.527 0.025 0.000 0.342 291 F C 1.048 176.772 175.800 -0.127 0.000 1.106 291 F CA 0.141 58.131 58.000 -0.017 0.000 1.196 291 F CB 0.717 39.621 39.000 -0.160 0.000 1.163 291 F HN 0.218 nan 8.300 nan 0.000 0.547 292 H N 1.125 120.179 119.070 -0.026 0.000 2.806 292 H HA 0.219 4.790 4.556 0.025 0.000 0.367 292 H C -1.599 173.482 175.328 -0.412 0.000 1.136 292 H CA -0.975 54.942 56.048 -0.218 0.000 1.178 292 H CB 1.837 31.547 29.762 -0.086 0.000 1.718 292 H HN 0.667 nan 8.280 nan 0.000 0.540 293 W N 2.605 123.775 121.300 -0.217 0.000 2.471 293 W HA 0.296 4.970 4.660 0.024 0.000 0.318 293 W C 0.031 176.547 176.519 -0.006 0.000 1.034 293 W CA -0.661 56.595 57.345 -0.147 0.000 1.224 293 W CB 1.558 30.771 29.460 -0.410 0.000 1.335 293 W HN 0.122 nan 8.180 nan 0.000 0.452 294 K N 5.897 126.540 120.400 0.405 0.000 2.265 294 K HA 0.370 4.705 4.320 0.024 0.000 0.267 294 K C -2.575 174.245 176.600 0.366 0.000 0.994 294 K CA -2.108 54.363 56.287 0.307 0.000 0.860 294 K CB 1.574 34.201 32.500 0.212 0.000 1.099 294 K HN 0.107 nan 8.250 nan 0.000 0.448 295 P HA 0.085 nan 4.420 nan 0.000 0.276 295 P C 0.501 177.818 177.300 0.030 0.000 1.235 295 P CA -0.092 63.084 63.100 0.128 0.000 0.772 295 P CB 0.756 32.536 31.700 0.135 0.000 0.871 296 L N 2.596 123.779 121.223 -0.067 0.000 2.492 296 L HA 0.023 4.378 4.340 0.024 0.000 0.223 296 L C 2.159 179.013 176.870 -0.027 0.000 1.132 296 L CA 0.825 55.656 54.840 -0.015 0.000 0.850 296 L CB -0.397 41.662 42.059 0.001 0.000 0.966 296 L HN 0.359 nan 8.230 nan 0.000 0.454 297 A N -0.075 122.705 122.820 -0.066 0.000 2.278 297 A HA 0.455 4.789 4.320 0.024 0.000 0.212 297 A C 1.272 178.854 177.584 -0.003 0.000 1.213 297 A CA 0.548 52.561 52.037 -0.040 0.000 0.840 297 A CB -0.512 18.446 19.000 -0.071 0.000 0.866 297 A HN 0.409 nan 8.150 nan 0.000 0.489 298 G N -0.279 108.532 108.800 0.019 0.000 2.782 298 G HA2 -0.185 3.789 3.960 0.024 0.000 0.228 298 G HA3 -0.185 3.789 3.960 0.024 0.000 0.228 298 G C -0.537 174.391 174.900 0.046 0.000 1.372 298 G CA -0.231 44.898 45.100 0.047 0.000 0.862 298 G HN 0.537 nan 8.290 nan 0.000 0.547 299 K N 0.108 120.538 120.400 0.050 0.000 2.206 299 K HA 0.747 5.082 4.320 0.024 0.000 0.264 299 K C 0.117 176.713 176.600 -0.008 0.000 0.967 299 K CA 0.079 56.382 56.287 0.027 0.000 0.844 299 K CB 1.971 34.477 32.500 0.010 0.000 1.099 299 K HN 1.414 nan 8.250 nan 0.000 0.441 300 A N 1.601 124.403 122.820 -0.031 0.000 2.574 300 A HA 0.699 5.034 4.320 0.024 0.000 0.297 300 A C -1.156 176.463 177.584 0.060 0.000 1.062 300 A CA -0.651 51.322 52.037 -0.107 0.000 0.686 300 A CB 1.893 20.600 19.000 -0.488 0.000 1.285 300 A HN 0.512 nan 8.150 nan 0.000 0.403 301 S N -0.081 115.779 115.700 0.268 0.000 2.661 301 S HA 0.748 5.233 4.470 0.024 0.000 0.285 301 S C -0.391 174.491 174.600 0.470 0.000 1.138 301 S CA -0.561 57.851 58.200 0.354 0.000 0.855 301 S CB 1.224 64.647 63.200 0.371 0.000 1.136 301 S HN 0.648 nan 8.310 nan 0.000 0.484 302 L N 1.243 122.655 121.223 0.316 0.000 2.567 302 L HA 0.649 5.003 4.340 0.024 0.000 0.238 302 L C -0.205 176.772 176.870 0.178 0.000 1.168 302 L CA -0.872 54.085 54.840 0.194 0.000 0.817 302 L CB 0.434 42.532 42.059 0.064 0.000 1.409 302 L HN 0.508 nan 8.230 nan 0.000 0.502 303 V N -3.209 116.716 119.914 0.019 0.000 2.667 303 V HA 0.183 4.318 4.120 0.024 0.000 0.308 303 V C 0.725 176.782 176.094 -0.062 0.000 1.048 303 V CA -0.840 61.449 62.300 -0.019 0.000 0.928 303 V CB 1.570 33.359 31.823 -0.056 0.000 1.004 303 V HN 0.945 nan 8.190 nan 0.000 0.444 304 W N 2.820 123.995 121.300 -0.207 0.000 2.277 304 W HA -0.328 4.346 4.660 0.024 0.000 0.327 304 W C 1.759 178.127 176.519 -0.252 0.000 1.284 304 W CA 2.914 60.128 57.345 -0.219 0.000 1.277 304 W CB -0.131 29.181 29.460 -0.246 0.000 1.141 304 W HN 1.028 nan 8.180 nan 0.000 0.482 305 D N -0.091 120.036 120.400 -0.455 0.000 2.178 305 D HA -0.270 4.384 4.640 0.024 0.000 0.201 305 D C 2.144 178.098 176.300 -0.577 0.000 0.980 305 D CA 1.969 55.641 54.000 -0.546 0.000 0.842 305 D CB -0.456 40.257 40.800 -0.145 0.000 0.948 305 D HN 0.443 nan 8.370 nan 0.000 0.472 306 E N -0.315 119.442 120.200 -0.739 0.000 2.046 306 E HA -0.175 4.190 4.350 0.024 0.000 0.190 306 E C 2.042 178.311 176.600 -0.551 0.000 0.982 306 E CA 0.946 56.843 56.400 -0.837 0.000 0.800 306 E CB -0.217 28.865 29.700 -1.030 0.000 0.756 306 E HN 0.301 nan 8.360 nan 0.000 0.449 307 A N 1.360 123.888 122.820 -0.487 0.000 1.883 307 A HA -0.278 4.057 4.320 0.024 0.000 0.217 307 A C 2.223 179.504 177.584 -0.505 0.000 1.186 307 A CA 1.899 53.697 52.037 -0.397 0.000 0.624 307 A CB -0.819 18.058 19.000 -0.205 0.000 0.822 307 A HN 0.469 nan 8.150 nan 0.000 0.444 308 Q N -0.558 118.730 119.800 -0.853 0.000 2.084 308 Q HA -0.220 4.135 4.340 0.024 0.000 0.202 308 Q C 2.142 177.861 176.000 -0.468 0.000 0.978 308 Q CA 1.996 57.308 55.803 -0.819 0.000 0.844 308 Q CB -0.141 27.799 28.738 -1.329 0.000 0.898 308 Q HN 0.663 nan 8.270 nan 0.000 0.426 309 K N -0.113 120.032 120.400 -0.425 0.000 2.097 309 K HA -0.149 4.186 4.320 0.024 0.000 0.206 309 K C 2.029 178.488 176.600 -0.234 0.000 1.049 309 K CA 0.843 56.971 56.287 -0.265 0.000 0.933 309 K CB -0.098 32.282 32.500 -0.200 0.000 0.717 309 K HN 0.149 nan 8.250 nan 0.000 0.442 310 L N 1.206 122.250 121.223 -0.298 0.000 2.191 310 L HA -0.158 4.197 4.340 0.024 0.000 0.212 310 L C 2.149 178.884 176.870 -0.224 0.000 1.103 310 L CA 2.115 56.775 54.840 -0.300 0.000 0.769 310 L CB -0.928 40.868 42.059 -0.438 0.000 0.908 310 L HN 0.368 nan 8.230 nan 0.000 0.438 311 T N -4.575 109.856 114.554 -0.205 0.000 2.881 311 T HA -0.057 4.307 4.350 0.024 0.000 0.270 311 T C 1.824 176.462 174.700 -0.103 0.000 1.068 311 T CA 0.962 62.980 62.100 -0.136 0.000 1.131 311 T CB -0.849 67.949 68.868 -0.116 0.000 0.871 311 T HN 0.376 nan 8.240 nan 0.000 0.479 312 G N 1.208 109.941 108.800 -0.111 0.000 2.447 312 G HA2 0.010 3.984 3.960 0.024 0.000 0.211 312 G HA3 0.010 3.984 3.960 0.024 0.000 0.211 312 G C 1.862 176.719 174.900 -0.071 0.000 1.184 312 G CA -0.299 44.751 45.100 -0.082 0.000 0.813 312 G HN 0.291 nan 8.290 nan 0.000 0.540 313 R N 0.417 120.867 120.500 -0.084 0.000 2.148 313 R HA 0.019 4.374 4.340 0.024 0.000 0.227 313 R C -0.183 176.090 176.300 -0.045 0.000 1.103 313 R CA 0.898 56.960 56.100 -0.063 0.000 0.983 313 R CB -0.271 29.983 30.300 -0.076 0.000 0.874 313 R HN 0.372 nan 8.270 nan 0.000 0.451 314 D N -1.018 119.350 120.400 -0.053 0.000 2.474 314 D HA 0.125 4.780 4.640 0.024 0.000 0.234 314 D C -2.177 174.122 176.300 -0.002 0.000 1.323 314 D CA -1.455 52.543 54.000 -0.003 0.000 0.915 314 D CB 1.265 42.104 40.800 0.065 0.000 1.487 314 D HN -0.164 nan 8.370 nan 0.000 0.524 315 P HA 0.017 nan 4.420 nan 0.000 0.228 315 P C -0.021 177.285 177.300 0.010 0.000 1.151 315 P CA 0.716 63.806 63.100 -0.018 0.000 0.770 315 P CB 0.455 32.141 31.700 -0.023 0.000 0.786 316 D N -1.545 118.873 120.400 0.031 0.000 2.501 316 D HA 0.079 4.734 4.640 0.024 0.000 0.226 316 D C 1.167 177.513 176.300 0.077 0.000 1.198 316 D CA -0.479 53.547 54.000 0.043 0.000 0.830 316 D CB -0.409 40.395 40.800 0.006 0.000 1.014 316 D HN 0.099 nan 8.370 nan 0.000 0.496 317 F N 1.571 121.477 119.950 -0.075 0.000 2.091 317 F HA -0.262 4.279 4.527 0.024 0.000 0.299 317 F C 2.111 177.901 175.800 -0.016 0.000 1.103 317 F CA 1.922 59.879 58.000 -0.073 0.000 1.228 317 F CB 0.010 38.927 39.000 -0.138 0.000 0.984 317 F HN 0.101 nan 8.300 nan 0.000 0.477 318 H N -1.060 117.947 119.070 -0.105 0.000 2.357 318 H HA -0.127 4.443 4.556 0.024 0.000 0.301 318 H C 2.416 177.648 175.328 -0.160 0.000 1.082 318 H CA 1.001 56.845 56.048 -0.340 0.000 1.342 318 H CB -0.175 29.232 29.762 -0.592 0.000 1.389 318 H HN 0.186 nan 8.280 nan 0.000 0.511 319 R N 1.266 121.867 120.500 0.169 0.000 2.091 319 R HA -0.149 4.206 4.340 0.024 0.000 0.238 319 R C 2.427 178.831 176.300 0.174 0.000 1.136 319 R CA 1.389 57.632 56.100 0.237 0.000 0.959 319 R CB -0.066 30.359 30.300 0.208 0.000 0.856 319 R HN 0.211 nan 8.270 nan 0.000 0.437 320 R N 0.198 120.728 120.500 0.050 0.000 2.075 320 R HA -0.121 4.234 4.340 0.024 0.000 0.232 320 R C 2.138 178.443 176.300 0.008 0.000 1.126 320 R CA 1.511 57.623 56.100 0.020 0.000 0.963 320 R CB -0.152 30.128 30.300 -0.034 0.000 0.858 320 R HN 0.277 nan 8.270 nan 0.000 0.435 321 E N 0.634 120.744 120.200 -0.149 0.000 2.107 321 E HA -0.175 4.190 4.350 0.024 0.000 0.191 321 E C 1.991 178.568 176.600 -0.038 0.000 0.982 321 E CA 0.721 57.005 56.400 -0.193 0.000 0.809 321 E CB -0.013 29.405 29.700 -0.470 0.000 0.756 321 E HN 0.215 nan 8.360 nan 0.000 0.459 322 L N 1.130 122.372 121.223 0.031 0.000 1.989 322 L HA -0.180 4.175 4.340 0.024 0.000 0.211 322 L C 2.258 179.226 176.870 0.163 0.000 1.071 322 L CA 1.934 56.840 54.840 0.111 0.000 0.749 322 L CB -1.029 41.164 42.059 0.223 0.000 0.890 322 L HN 0.346 nan 8.230 nan 0.000 0.431 323 W N 0.824 122.155 121.300 0.051 0.000 2.355 323 W HA -0.212 4.462 4.660 0.024 0.000 0.309 323 W C 2.270 178.815 176.519 0.042 0.000 1.206 323 W CA 2.151 59.536 57.345 0.067 0.000 1.284 323 W CB -0.209 29.295 29.460 0.073 0.000 1.145 323 W HN 0.354 nan 8.180 nan 0.000 0.502 324 E N 0.022 120.394 120.200 0.286 0.000 2.106 324 E HA -0.146 4.218 4.350 0.024 0.000 0.192 324 E C 2.363 178.982 176.600 0.032 0.000 0.984 324 E CA 1.133 57.622 56.400 0.147 0.000 0.806 324 E CB -0.369 29.379 29.700 0.079 0.000 0.750 324 E HN 0.196 nan 8.360 nan 0.000 0.458 325 A N 1.354 124.189 122.820 0.025 0.000 1.877 325 A HA -0.192 4.143 4.320 0.024 0.000 0.216 325 A C 2.173 179.757 177.584 0.001 0.000 1.186 325 A CA 1.183 53.222 52.037 0.004 0.000 0.620 325 A CB -0.602 18.404 19.000 0.010 0.000 0.822 325 A HN 0.136 nan 8.150 nan 0.000 0.443 326 I N -0.508 120.082 120.570 0.034 0.000 2.226 326 I HA -0.243 3.942 4.170 0.024 0.000 0.245 326 I C 2.455 178.608 176.117 0.060 0.000 1.100 326 I CA 1.468 62.829 61.300 0.102 0.000 1.374 326 I CB -0.412 37.601 38.000 0.022 0.000 1.057 326 I HN 0.416 nan 8.210 nan 0.000 0.413 327 E N 0.714 120.906 120.200 -0.013 0.000 2.204 327 E HA -0.187 4.177 4.350 0.024 0.000 0.195 327 E C 2.083 178.680 176.600 -0.005 0.000 0.990 327 E CA 1.215 57.622 56.400 0.011 0.000 0.821 327 E CB -0.072 29.665 29.700 0.062 0.000 0.750 327 E HN 0.523 nan 8.360 nan 0.000 0.477 328 A N -0.256 122.534 122.820 -0.050 0.000 2.238 328 A HA 0.284 4.618 4.320 0.024 0.000 0.210 328 A C 1.692 179.202 177.584 -0.123 0.000 1.179 328 A CA 0.844 52.833 52.037 -0.080 0.000 0.827 328 A CB 0.149 19.069 19.000 -0.134 0.000 0.856 328 A HN 0.319 nan 8.150 nan 0.000 0.488 329 G N -0.319 108.334 108.800 -0.246 0.000 2.175 329 G HA2 -0.187 3.788 3.960 0.024 0.000 0.244 329 G HA3 -0.187 3.788 3.960 0.024 0.000 0.244 329 G C -0.315 174.112 174.900 -0.789 0.000 0.982 329 G CA 0.156 44.859 45.100 -0.662 0.000 0.641 329 G HN 0.451 nan 8.290 nan 0.000 0.527 330 D N 1.219 121.399 120.400 -0.367 0.000 2.608 330 D HA 0.292 4.946 4.640 0.024 0.000 0.224 330 D C 0.670 176.868 176.300 -0.170 0.000 1.123 330 D CA -0.074 53.782 54.000 -0.241 0.000 1.030 330 D CB -0.629 40.138 40.800 -0.055 0.000 1.093 330 D HN 0.394 nan 8.370 nan 0.000 0.497 331 F N 1.825 121.774 119.950 -0.002 0.000 2.578 331 F HA 0.099 4.641 4.527 0.024 0.000 0.381 331 F C -1.366 174.402 175.800 -0.053 0.000 1.069 331 F CA -1.971 56.019 58.000 -0.017 0.000 1.231 331 F CB -0.133 38.867 39.000 0.001 0.000 1.086 331 F HN -0.010 nan 8.300 nan 0.000 0.564 332 P HA 0.045 nan 4.420 nan 0.000 0.263 332 P C -1.033 176.218 177.300 -0.081 0.000 1.195 332 P CA 0.232 63.309 63.100 -0.039 0.000 0.762 332 P CB 0.460 32.206 31.700 0.077 0.000 0.799 333 E N 2.352 122.376 120.200 -0.292 0.000 2.248 333 E HA 0.476 4.840 4.350 0.024 0.000 0.267 333 E C -1.066 175.297 176.600 -0.395 0.000 0.877 333 E CA -0.542 55.748 56.400 -0.184 0.000 0.759 333 E CB 1.433 31.104 29.700 -0.049 0.000 1.182 333 E HN 0.385 nan 8.360 nan 0.000 0.418 334 Y N 0.309 120.684 120.300 0.125 0.000 2.524 334 Y HA 0.318 4.883 4.550 0.025 0.000 0.347 334 Y C -0.288 175.826 175.900 0.357 0.000 1.005 334 Y CA -0.980 57.265 58.100 0.242 0.000 1.025 334 Y CB 2.093 40.698 38.460 0.242 0.000 1.275 334 Y HN 0.424 nan 8.280 nan 0.000 0.460 335 E N 1.933 122.449 120.200 0.526 0.000 2.151 335 E HA 0.383 4.747 4.350 0.024 0.000 0.275 335 E C -1.479 175.355 176.600 0.389 0.000 0.936 335 E CA -1.007 55.631 56.400 0.397 0.000 0.777 335 E CB 1.206 31.072 29.700 0.277 0.000 1.108 335 E HN 0.515 nan 8.360 nan 0.000 0.401 336 L N 3.937 125.299 121.223 0.233 0.000 2.410 336 L HA 0.474 4.829 4.340 0.024 0.000 0.273 336 L C -0.088 176.677 176.870 -0.174 0.000 1.152 336 L CA 0.643 55.329 54.840 -0.256 0.000 0.855 336 L CB 0.789 42.660 42.059 -0.314 0.000 1.129 336 L HN 0.523 nan 8.230 nan 0.000 0.463 337 G N 4.634 113.359 108.800 -0.126 0.000 2.563 337 G HA2 0.568 4.543 3.960 0.024 0.000 0.302 337 G HA3 0.568 4.543 3.960 0.024 0.000 0.302 337 G C -1.581 173.454 174.900 0.225 0.000 1.301 337 G CA -0.533 44.550 45.100 -0.029 0.000 0.965 337 G HN 0.485 nan 8.290 nan 0.000 0.480 338 F N 0.094 120.052 119.950 0.013 0.000 2.520 338 F HA 0.399 4.941 4.527 0.024 0.000 0.322 338 F C 0.313 176.110 175.800 -0.004 0.000 1.103 338 F CA -0.943 57.070 58.000 0.022 0.000 0.926 338 F CB 2.702 41.701 39.000 -0.002 0.000 1.154 338 F HN 0.123 nan 8.300 nan 0.000 0.453 339 Q N 3.556 123.471 119.800 0.191 0.000 2.340 339 Q HA 0.359 4.714 4.340 0.024 0.000 0.259 339 Q C -1.286 174.751 176.000 0.062 0.000 0.964 339 Q CA -0.919 54.949 55.803 0.107 0.000 0.900 339 Q CB 1.780 30.598 28.738 0.134 0.000 1.228 339 Q HN 0.332 nan 8.270 nan 0.000 0.449 340 L N 4.636 125.906 121.223 0.078 0.000 2.296 340 L HA 0.530 4.884 4.340 0.024 0.000 0.286 340 L C -0.585 176.339 176.870 0.089 0.000 1.023 340 L CA -0.214 54.660 54.840 0.056 0.000 0.812 340 L CB 1.381 43.483 42.059 0.072 0.000 1.223 340 L HN 0.577 nan 8.230 nan 0.000 0.421 341 I N 5.611 126.249 120.570 0.114 0.000 2.468 341 I HA 0.341 4.526 4.170 0.024 0.000 0.285 341 I C -2.238 173.989 176.117 0.183 0.000 1.039 341 I CA -1.885 59.525 61.300 0.182 0.000 1.074 341 I CB 2.308 40.452 38.000 0.240 0.000 1.228 341 I HN 0.381 nan 8.210 nan 0.000 0.436 342 P HA 0.037 nan 4.420 nan 0.000 0.269 342 P C 0.580 177.940 177.300 0.100 0.000 1.209 342 P CA -0.040 63.091 63.100 0.051 0.000 0.776 342 P CB 0.841 32.562 31.700 0.034 0.000 0.876 343 E N 1.290 121.476 120.200 -0.024 0.000 2.160 343 E HA -0.255 4.109 4.350 0.024 0.000 0.195 343 E C 0.918 177.584 176.600 0.111 0.000 0.991 343 E CA 1.326 57.718 56.400 -0.014 0.000 0.810 343 E CB 0.089 29.687 29.700 -0.170 0.000 0.742 343 E HN 0.458 nan 8.360 nan 0.000 0.466 344 E N 0.547 120.789 120.200 0.071 0.000 2.268 344 E HA -0.133 4.232 4.350 0.024 0.000 0.195 344 E C 0.801 177.445 176.600 0.073 0.000 0.995 344 E CA 0.965 57.412 56.400 0.077 0.000 0.836 344 E CB 0.036 29.765 29.700 0.048 0.000 0.763 344 E HN 0.214 nan 8.360 nan 0.000 0.491 345 D N 0.168 120.609 120.400 0.069 0.000 2.325 345 D HA -0.019 4.636 4.640 0.024 0.000 0.225 345 D C 1.202 177.497 176.300 -0.008 0.000 1.096 345 D CA 0.091 54.095 54.000 0.007 0.000 0.844 345 D CB -0.004 40.794 40.800 -0.003 0.000 0.925 345 D HN 0.264 nan 8.370 nan 0.000 0.513 346 E N -0.143 120.040 120.200 -0.028 0.000 2.114 346 E HA -0.213 4.152 4.350 0.024 0.000 0.199 346 E C 0.359 176.663 176.600 -0.492 0.000 1.008 346 E CA 1.137 57.337 56.400 -0.332 0.000 0.810 346 E CB -0.007 29.309 29.700 -0.640 0.000 0.739 346 E HN 0.293 nan 8.360 nan 0.000 0.456 347 F N -0.396 119.557 119.950 0.004 0.000 2.730 347 F HA 0.272 4.813 4.527 0.024 0.000 0.295 347 F C 1.273 176.997 175.800 -0.127 0.000 1.143 347 F CA -0.238 57.740 58.000 -0.036 0.000 1.367 347 F CB 0.558 39.547 39.000 -0.018 0.000 0.970 347 F HN -0.182 nan 8.300 nan 0.000 0.514 348 K N -0.031 120.260 120.400 -0.182 0.000 2.404 348 K HA 0.141 4.475 4.320 0.024 0.000 0.194 348 K C -0.150 176.096 176.600 -0.591 0.000 1.023 348 K CA 0.287 56.325 56.287 -0.414 0.000 1.094 348 K CB 0.264 32.408 32.500 -0.594 0.000 0.841 348 K HN 0.171 nan 8.250 nan 0.000 0.523 349 F N 0.009 119.796 119.950 -0.271 0.000 2.518 349 F HA 0.150 4.691 4.527 0.025 0.000 0.338 349 F C 1.335 176.917 175.800 -0.363 0.000 1.065 349 F CA -0.979 56.749 58.000 -0.453 0.000 1.012 349 F CB 0.637 38.973 39.000 -1.107 0.000 1.297 349 F HN -0.217 nan 8.300 nan 0.000 0.489 350 D N 0.126 120.490 120.400 -0.060 0.000 2.264 350 D HA -0.049 4.606 4.640 0.024 0.000 0.208 350 D C -0.072 176.288 176.300 0.099 0.000 0.966 350 D CA 1.291 55.332 54.000 0.068 0.000 0.864 350 D CB -0.191 40.736 40.800 0.212 0.000 0.933 350 D HN 0.256 nan 8.370 nan 0.000 0.499 351 F N -0.945 119.086 119.950 0.134 0.000 2.594 351 F HA 0.479 5.020 4.527 0.024 0.000 0.335 351 F C 0.090 175.872 175.800 -0.031 0.000 1.058 351 F CA -1.614 56.386 58.000 0.000 0.000 0.981 351 F CB 0.642 39.596 39.000 -0.077 0.000 1.289 351 F HN -0.392 nan 8.300 nan 0.000 0.490 352 D N 1.424 121.859 120.400 0.058 0.000 2.312 352 D HA 0.179 4.834 4.640 0.024 0.000 0.252 352 D C 1.009 177.276 176.300 -0.055 0.000 1.150 352 D CA -0.023 53.949 54.000 -0.046 0.000 0.870 352 D CB 1.437 42.154 40.800 -0.139 0.000 1.153 352 D HN 0.729 nan 8.370 nan 0.000 0.457 353 L N 3.465 124.610 121.223 -0.130 0.000 2.191 353 L HA -0.136 4.219 4.340 0.024 0.000 0.212 353 L C 1.982 178.725 176.870 -0.212 0.000 1.103 353 L CA 0.715 55.437 54.840 -0.197 0.000 0.769 353 L CB -0.070 41.743 42.059 -0.411 0.000 0.908 353 L HN 0.456 nan 8.230 nan 0.000 0.438 354 L N -0.961 120.164 121.223 -0.163 0.000 2.591 354 L HA 0.068 4.422 4.340 0.024 0.000 0.228 354 L C 0.299 177.132 176.870 -0.062 0.000 1.133 354 L CA -0.146 54.667 54.840 -0.046 0.000 0.880 354 L CB -0.310 41.813 42.059 0.107 0.000 1.033 354 L HN 0.102 nan 8.230 nan 0.000 0.450 355 D N 1.586 121.732 120.400 -0.424 0.000 2.317 355 D HA 0.157 4.812 4.640 0.024 0.000 0.234 355 D C -1.738 174.376 176.300 -0.310 0.000 1.112 355 D CA -2.261 51.335 54.000 -0.674 0.000 0.840 355 D CB 1.750 41.822 40.800 -1.215 0.000 1.078 355 D HN -0.113 nan 8.370 nan 0.000 0.486 356 P HA 0.049 nan 4.420 nan 0.000 0.257 356 P C 0.631 177.836 177.300 -0.159 0.000 1.281 356 P CA 0.295 63.319 63.100 -0.127 0.000 0.826 356 P CB 0.050 31.743 31.700 -0.012 0.000 1.237 357 T N -4.276 110.176 114.554 -0.171 0.000 3.086 357 T HA 0.193 4.558 4.350 0.024 0.000 0.250 357 T C 0.713 175.307 174.700 -0.177 0.000 1.074 357 T CA -0.086 61.923 62.100 -0.151 0.000 0.988 357 T CB -0.064 68.767 68.868 -0.062 0.000 0.988 357 T HN -0.127 nan 8.240 nan 0.000 0.530 358 K N 1.993 122.186 120.400 -0.345 0.000 2.270 358 K HA 0.600 4.934 4.320 0.024 0.000 0.255 358 K C -0.479 175.852 176.600 -0.448 0.000 0.936 358 K CA -0.811 55.108 56.287 -0.613 0.000 0.809 358 K CB 2.416 34.409 32.500 -0.845 0.000 1.131 358 K HN 0.240 nan 8.250 nan 0.000 0.427 359 L N -0.618 120.489 121.223 -0.193 0.000 2.365 359 L HA 0.668 5.023 4.340 0.024 0.000 0.267 359 L C -0.026 176.642 176.870 -0.336 0.000 1.033 359 L CA -0.602 54.117 54.840 -0.202 0.000 0.802 359 L CB 0.269 42.295 42.059 -0.056 0.000 1.267 359 L HN 0.447 nan 8.230 nan 0.000 0.457 360 I N 1.301 121.772 120.570 -0.165 0.000 2.337 360 I HA 0.371 4.555 4.170 0.024 0.000 0.285 360 I C -2.159 173.991 176.117 0.055 0.000 1.041 360 I CA -1.681 59.581 61.300 -0.063 0.000 1.199 360 I CB 1.025 39.010 38.000 -0.024 0.000 1.370 360 I HN 0.442 nan 8.210 nan 0.000 0.470 361 P HA 0.041 nan 4.420 nan 0.000 0.264 361 P C 0.408 177.783 177.300 0.126 0.000 1.193 361 P CA 0.057 63.222 63.100 0.108 0.000 0.763 361 P CB 0.650 32.407 31.700 0.094 0.000 0.810 362 E N 1.737 122.015 120.200 0.130 0.000 2.204 362 E HA -0.199 4.166 4.350 0.024 0.000 0.195 362 E C 1.369 178.023 176.600 0.091 0.000 0.990 362 E CA 0.824 57.286 56.400 0.103 0.000 0.821 362 E CB 0.022 29.784 29.700 0.104 0.000 0.750 362 E HN 0.508 nan 8.360 nan 0.000 0.477 363 E N 0.364 120.620 120.200 0.094 0.000 2.204 363 E HA -0.131 4.234 4.350 0.024 0.000 0.195 363 E C 2.040 178.700 176.600 0.101 0.000 0.990 363 E CA 0.725 57.176 56.400 0.084 0.000 0.821 363 E CB 0.097 29.840 29.700 0.073 0.000 0.750 363 E HN 0.358 nan 8.360 nan 0.000 0.477 364 L N -0.541 120.762 121.223 0.135 0.000 2.200 364 L HA 0.066 4.420 4.340 0.024 0.000 0.200 364 L C 0.624 177.600 176.870 0.176 0.000 1.072 364 L CA 0.436 55.383 54.840 0.178 0.000 0.787 364 L CB 0.451 42.677 42.059 0.278 0.000 0.957 364 L HN -0.211 nan 8.230 nan 0.000 0.459 365 V N 1.829 121.837 119.914 0.158 0.000 2.398 365 V HA 0.288 4.423 4.120 0.024 0.000 0.282 365 V C -2.298 173.848 176.094 0.087 0.000 1.014 365 V CA -1.477 60.905 62.300 0.137 0.000 0.838 365 V CB 1.331 33.249 31.823 0.158 0.000 1.018 365 V HN 0.005 nan 8.190 nan 0.000 0.432 366 P HA 0.093 nan 4.420 nan 0.000 0.268 366 P C -0.231 177.072 177.300 0.006 0.000 1.208 366 P CA 0.167 63.289 63.100 0.037 0.000 0.777 366 P CB 1.213 32.938 31.700 0.042 0.000 0.875 367 V N 3.783 123.668 119.914 -0.049 0.000 2.488 367 V HA 0.072 4.207 4.120 0.024 0.000 0.277 367 V C 0.898 176.981 176.094 -0.018 0.000 1.046 367 V CA 0.109 62.349 62.300 -0.102 0.000 0.986 367 V CB 0.044 31.718 31.823 -0.248 0.000 0.989 367 V HN 0.493 nan 8.190 nan 0.000 0.475 368 Q N 4.306 124.119 119.800 0.021 0.000 2.322 368 Q HA 0.371 4.726 4.340 0.024 0.000 0.256 368 Q C -0.232 175.758 176.000 -0.016 0.000 0.960 368 Q CA -0.371 55.446 55.803 0.022 0.000 0.934 368 Q CB 1.116 29.881 28.738 0.045 0.000 1.200 368 Q HN 0.571 nan 8.270 nan 0.000 0.435 369 R N 1.897 122.411 120.500 0.023 0.000 2.296 369 R HA 0.077 4.432 4.340 0.024 0.000 0.323 369 R C 0.334 176.671 176.300 0.062 0.000 1.067 369 R CA -0.040 56.098 56.100 0.064 0.000 0.946 369 R CB 0.613 31.017 30.300 0.173 0.000 0.991 369 R HN 0.455 nan 8.270 nan 0.000 0.448 370 V N 1.757 121.586 119.914 -0.143 0.000 3.570 370 V HA 0.332 4.467 4.120 0.024 0.000 0.257 370 V C 0.788 176.613 176.094 -0.448 0.000 1.272 370 V CA 1.057 63.189 62.300 -0.280 0.000 1.079 370 V CB 0.910 32.324 31.823 -0.681 0.000 0.829 370 V HN 0.994 nan 8.190 nan 0.000 0.454 371 G N -0.404 107.958 108.800 -0.729 0.000 2.342 371 G HA2 0.477 4.452 3.960 0.024 0.000 0.297 371 G HA3 0.477 4.452 3.960 0.024 0.000 0.297 371 G C -1.764 172.708 174.900 -0.714 0.000 1.313 371 G CA -0.548 43.893 45.100 -1.098 0.000 0.830 371 G HN 0.003 nan 8.290 nan 0.000 0.506 372 K N -0.520 119.525 120.400 -0.591 0.000 2.498 372 K HA 0.695 5.030 4.320 0.024 0.000 0.254 372 K C -1.081 175.543 176.600 0.040 0.000 0.933 372 K CA -0.813 55.425 56.287 -0.082 0.000 0.806 372 K CB 2.251 34.743 32.500 -0.014 0.000 1.301 372 K HN 0.652 nan 8.250 nan 0.000 0.432 373 M N 4.335 124.099 119.600 0.274 0.000 2.383 373 M HA 0.443 4.937 4.480 0.024 0.000 0.325 373 M C -1.762 174.516 176.300 -0.036 0.000 1.092 373 M CA -0.751 54.629 55.300 0.134 0.000 0.961 373 M CB 1.777 34.484 32.600 0.177 0.000 1.672 373 M HN 0.341 nan 8.290 nan 0.000 0.438 374 V N 5.525 125.253 119.914 -0.309 0.000 2.531 374 V HA 0.448 4.582 4.120 0.024 0.000 0.301 374 V C -1.018 174.925 176.094 -0.251 0.000 1.034 374 V CA -0.802 61.320 62.300 -0.297 0.000 0.865 374 V CB 1.809 33.334 31.823 -0.497 0.000 0.995 374 V HN 0.683 nan 8.190 nan 0.000 0.424 375 L N 5.878 127.045 121.223 -0.093 0.000 2.264 375 L HA 0.491 4.845 4.340 0.024 0.000 0.287 375 L C 0.643 177.429 176.870 -0.141 0.000 1.039 375 L CA 0.126 54.922 54.840 -0.072 0.000 0.829 375 L CB 0.961 43.031 42.059 0.018 0.000 1.211 375 L HN 0.862 nan 8.230 nan 0.000 0.427 376 N N 2.154 120.689 118.700 -0.275 0.000 2.194 376 N HA 0.173 4.928 4.740 0.024 0.000 0.231 376 N C 0.047 175.424 175.510 -0.220 0.000 1.247 376 N CA -0.281 52.422 53.050 -0.579 0.000 0.884 376 N CB 0.695 38.549 38.487 -1.054 0.000 1.146 376 N HN 0.374 nan 8.380 nan 0.000 0.516 377 R N 0.150 120.600 120.500 -0.083 0.000 2.536 377 R HA 0.299 4.654 4.340 0.024 0.000 0.269 377 R C -1.299 174.969 176.300 -0.053 0.000 1.113 377 R CA -0.545 55.522 56.100 -0.056 0.000 0.948 377 R CB 1.272 31.550 30.300 -0.037 0.000 1.237 377 R HN 0.050 nan 8.270 nan 0.000 0.441 378 N N 2.757 121.314 118.700 -0.238 0.000 2.424 378 N HA 0.310 5.064 4.740 0.024 0.000 0.257 378 N C -2.304 173.183 175.510 -0.039 0.000 1.250 378 N CA -1.226 51.566 53.050 -0.429 0.000 0.946 378 N CB 0.544 38.185 38.487 -1.410 0.000 1.175 378 N HN 0.317 nan 8.380 nan 0.000 0.477 379 P HA 0.162 nan 4.420 nan 0.000 0.275 379 P C 0.194 177.682 177.300 0.314 0.000 1.266 379 P CA -0.144 63.151 63.100 0.326 0.000 0.793 379 P CB 0.930 32.847 31.700 0.363 0.000 1.074 380 D N -1.299 119.259 120.400 0.264 0.000 2.259 380 D HA -0.006 4.649 4.640 0.024 0.000 0.216 380 D C 0.266 176.731 176.300 0.274 0.000 0.961 380 D CA 1.298 55.441 54.000 0.240 0.000 0.878 380 D CB 0.192 41.080 40.800 0.147 0.000 1.009 380 D HN 0.347 nan 8.370 nan 0.000 0.490 381 N N -0.079 118.774 118.700 0.254 0.000 2.461 381 N HA 0.012 4.767 4.740 0.024 0.000 0.284 381 N C 0.113 175.806 175.510 0.306 0.000 1.049 381 N CA -0.327 52.884 53.050 0.269 0.000 0.889 381 N CB 1.451 40.065 38.487 0.212 0.000 1.365 381 N HN -0.172 nan 8.380 nan 0.000 0.499 382 F N 4.236 124.321 119.950 0.224 0.000 2.065 382 F HA -0.223 4.318 4.527 0.023 0.000 0.298 382 F C 1.758 177.673 175.800 0.191 0.000 1.112 382 F CA 1.720 59.850 58.000 0.216 0.000 1.212 382 F CB -0.189 38.917 39.000 0.176 0.000 0.975 382 F HN 0.620 nan 8.300 nan 0.000 0.476 383 F N 0.780 120.942 119.950 0.354 0.000 2.069 383 F HA -0.201 4.342 4.527 0.025 0.000 0.298 383 F C 2.316 178.156 175.800 0.066 0.000 1.113 383 F CA 1.969 60.101 58.000 0.219 0.000 1.214 383 F CB -0.965 38.153 39.000 0.196 0.000 0.978 383 F HN 0.001 nan 8.300 nan 0.000 0.474 384 A N -0.501 122.425 122.820 0.176 0.000 1.930 384 A HA -0.147 4.187 4.320 0.024 0.000 0.217 384 A C 2.058 179.566 177.584 -0.126 0.000 1.175 384 A CA 1.965 54.019 52.037 0.029 0.000 0.627 384 A CB -0.625 18.451 19.000 0.128 0.000 0.815 384 A HN 0.613 nan 8.150 nan 0.000 0.443 385 E N -1.354 118.778 120.200 -0.114 0.000 2.175 385 E HA -0.051 4.314 4.350 0.024 0.000 0.195 385 E C 1.916 178.397 176.600 -0.197 0.000 0.934 385 E CA 0.365 56.638 56.400 -0.213 0.000 0.870 385 E CB -0.127 29.497 29.700 -0.126 0.000 0.838 385 E HN 0.541 nan 8.360 nan 0.000 0.474 386 N N 1.473 120.058 118.700 -0.192 0.000 2.131 386 N HA -0.168 4.587 4.740 0.024 0.000 0.190 386 N C 1.817 177.134 175.510 -0.321 0.000 1.055 386 N CA 1.416 54.307 53.050 -0.265 0.000 0.853 386 N CB -0.141 37.868 38.487 -0.797 0.000 1.035 386 N HN -0.102 nan 8.380 nan 0.000 0.440 387 E N 0.749 120.670 120.200 -0.464 0.000 2.147 387 E HA -0.178 4.187 4.350 0.024 0.000 0.199 387 E C 1.720 178.118 176.600 -0.337 0.000 1.005 387 E CA 1.626 57.833 56.400 -0.321 0.000 0.810 387 E CB -0.193 29.301 29.700 -0.343 0.000 0.736 387 E HN 0.523 nan 8.360 nan 0.000 0.460 388 Q N -0.631 118.915 119.800 -0.423 0.000 2.403 388 Q HA 0.234 4.588 4.340 0.024 0.000 0.203 388 Q C 0.018 175.893 176.000 -0.207 0.000 0.932 388 Q CA 0.197 55.810 55.803 -0.316 0.000 0.945 388 Q CB 0.458 28.999 28.738 -0.328 0.000 1.045 388 Q HN 0.228 nan 8.270 nan 0.000 0.511 389 A N 1.013 123.725 122.820 -0.180 0.000 2.445 389 A HA 0.508 4.843 4.320 0.024 0.000 0.242 389 A C -0.216 177.238 177.584 -0.216 0.000 1.075 389 A CA 0.123 52.033 52.037 -0.212 0.000 0.777 389 A CB 0.335 19.261 19.000 -0.123 0.000 1.013 389 A HN 0.257 nan 8.150 nan 0.000 0.493 390 A N 1.876 124.503 122.820 -0.322 0.000 2.357 390 A HA 0.695 5.029 4.320 0.024 0.000 0.295 390 A C -0.849 176.549 177.584 -0.309 0.000 1.121 390 A CA -0.431 51.473 52.037 -0.222 0.000 0.742 390 A CB 0.388 19.271 19.000 -0.194 0.000 1.181 390 A HN 0.628 nan 8.150 nan 0.000 0.454 391 F N 0.992 120.930 119.950 -0.020 0.000 2.425 391 F HA 0.655 5.196 4.527 0.025 0.000 0.331 391 F C 0.401 176.118 175.800 -0.137 0.000 1.085 391 F CA 0.007 57.962 58.000 -0.075 0.000 1.028 391 F CB 1.836 40.749 39.000 -0.144 0.000 1.177 391 F HN 0.745 nan 8.300 nan 0.000 0.487 392 H N 3.197 122.059 119.070 -0.348 0.000 3.128 392 H HA 0.283 4.854 4.556 0.025 0.000 0.336 392 H C -2.415 172.508 175.328 -0.675 0.000 1.026 392 H CA -1.809 53.781 56.048 -0.763 0.000 1.376 392 H CB 2.490 31.756 29.762 -0.827 0.000 1.882 392 H HN 0.169 nan 8.280 nan 0.000 0.479 393 P HA -0.053 nan 4.420 nan 0.000 0.223 393 P C 1.191 178.342 177.300 -0.248 0.000 1.144 393 P CA 1.468 64.247 63.100 -0.536 0.000 0.783 393 P CB 0.095 31.521 31.700 -0.456 0.000 0.771 394 G N -1.409 107.036 108.800 -0.591 0.000 2.650 394 G HA2 -0.127 3.847 3.960 0.024 0.000 0.214 394 G HA3 -0.127 3.847 3.960 0.024 0.000 0.214 394 G C 0.397 175.477 174.900 0.301 0.000 1.136 394 G CA -0.036 45.057 45.100 -0.011 0.000 0.789 394 G HN 0.421 nan 8.290 nan 0.000 0.536 395 H N 0.766 119.924 119.070 0.147 0.000 3.092 395 H HA 0.362 4.932 4.556 0.024 0.000 0.263 395 H C 0.493 175.921 175.328 0.166 0.000 1.611 395 H CA -0.733 55.391 56.048 0.127 0.000 1.457 395 H CB 0.013 29.820 29.762 0.075 0.000 1.731 395 H HN 0.370 nan 8.280 nan 0.000 0.532 396 I N -0.521 120.173 120.570 0.206 0.000 3.237 396 I HA 0.706 4.890 4.170 0.024 0.000 0.308 396 I C -0.310 175.791 176.117 -0.027 0.000 1.093 396 I CA -1.410 59.932 61.300 0.069 0.000 1.001 396 I CB 2.028 39.953 38.000 -0.124 0.000 1.245 396 I HN 0.112 nan 8.210 nan 0.000 0.485 397 V N -1.948 117.919 119.914 -0.077 0.000 3.040 397 V HA 0.669 4.804 4.120 0.024 0.000 0.312 397 V C -2.821 173.339 176.094 0.111 0.000 1.115 397 V CA -2.480 59.830 62.300 0.017 0.000 0.998 397 V CB 0.943 32.748 31.823 -0.030 0.000 1.042 397 V HN 0.660 nan 8.190 nan 0.000 0.433 398 P HA 0.379 nan 4.420 nan 0.000 0.261 398 P C 0.894 178.188 177.300 -0.011 0.000 1.183 398 P CA 1.722 64.877 63.100 0.091 0.000 0.761 398 P CB 0.631 32.370 31.700 0.065 0.000 0.785 399 G N 1.894 110.650 108.800 -0.074 0.000 2.380 399 G HA2 -0.135 3.840 3.960 0.024 0.000 0.197 399 G HA3 -0.135 3.840 3.960 0.024 0.000 0.197 399 G C -0.335 174.482 174.900 -0.138 0.000 1.001 399 G CA -0.462 44.578 45.100 -0.099 0.000 0.668 399 G HN 0.458 nan 8.290 nan 0.000 0.483 400 L N 0.372 121.514 121.223 -0.135 0.000 2.323 400 L HA 0.887 5.241 4.340 0.024 0.000 0.265 400 L C -0.759 176.040 176.870 -0.119 0.000 1.012 400 L CA -0.997 53.742 54.840 -0.168 0.000 0.820 400 L CB 2.192 44.078 42.059 -0.287 0.000 1.334 400 L HN 0.123 nan 8.230 nan 0.000 0.427 401 D N -0.578 119.741 120.400 -0.135 0.000 2.639 401 D HA 0.439 5.094 4.640 0.024 0.000 0.271 401 D C -1.177 175.055 176.300 -0.113 0.000 1.254 401 D CA -0.335 53.564 54.000 -0.168 0.000 0.810 401 D CB 1.979 42.751 40.800 -0.046 0.000 1.351 401 D HN 0.085 nan 8.370 nan 0.000 0.427 402 F N -0.141 119.919 119.950 0.183 0.000 2.294 402 F HA 0.550 5.091 4.527 0.024 0.000 0.319 402 F C 1.461 177.280 175.800 0.032 0.000 1.107 402 F CA -0.166 57.883 58.000 0.083 0.000 1.094 402 F CB 1.046 40.069 39.000 0.038 0.000 1.508 402 F HN 0.240 nan 8.300 nan 0.000 0.506 403 T N -3.265 111.397 114.554 0.180 0.000 2.778 403 T HA 0.304 4.668 4.350 0.024 0.000 0.293 403 T C -0.298 174.435 174.700 0.055 0.000 1.144 403 T CA -0.988 61.186 62.100 0.124 0.000 1.010 403 T CB 1.239 70.169 68.868 0.105 0.000 1.325 403 T HN 0.329 nan 8.240 nan 0.000 0.515 404 N N 1.215 119.952 118.700 0.062 0.000 2.434 404 N HA 0.090 4.845 4.740 0.024 0.000 0.196 404 N C -0.024 175.496 175.510 0.017 0.000 1.183 404 N CA 0.024 53.095 53.050 0.035 0.000 0.849 404 N CB -0.396 38.130 38.487 0.064 0.000 0.992 404 N HN 0.685 nan 8.380 nan 0.000 0.460 405 D N 2.088 122.484 120.400 -0.006 0.000 2.520 405 D HA -0.059 4.595 4.640 0.024 0.000 0.243 405 D C -1.343 174.954 176.300 -0.006 0.000 1.160 405 D CA -1.034 52.985 54.000 0.032 0.000 0.877 405 D CB 1.378 42.157 40.800 -0.034 0.000 1.150 405 D HN 0.139 nan 8.370 nan 0.000 0.494 406 P HA -0.111 nan 4.420 nan 0.000 0.225 406 P C 1.639 178.951 177.300 0.020 0.000 1.156 406 P CA 0.164 63.273 63.100 0.015 0.000 0.787 406 P CB 0.414 32.116 31.700 0.003 0.000 0.802 407 L N -0.322 120.940 121.223 0.064 0.000 2.044 407 L HA -0.047 4.308 4.340 0.024 0.000 0.205 407 L C 2.466 179.278 176.870 -0.097 0.000 1.075 407 L CA 1.352 56.230 54.840 0.064 0.000 0.747 407 L CB -1.574 40.598 42.059 0.188 0.000 0.903 407 L HN -0.164 nan 8.230 nan 0.000 0.435 408 L N -0.635 120.377 121.223 -0.351 0.000 2.012 408 L HA -0.239 4.116 4.340 0.024 0.000 0.210 408 L C 2.521 179.155 176.870 -0.394 0.000 1.073 408 L CA 1.761 56.171 54.840 -0.716 0.000 0.748 408 L CB -0.861 40.574 42.059 -1.041 0.000 0.891 408 L HN 0.366 nan 8.230 nan 0.000 0.431 409 Q N -0.163 119.478 119.800 -0.266 0.000 2.062 409 Q HA -0.205 4.149 4.340 0.024 0.000 0.209 409 Q C 2.115 178.037 176.000 -0.130 0.000 0.996 409 Q CA 2.023 57.708 55.803 -0.197 0.000 0.859 409 Q CB -1.080 27.589 28.738 -0.115 0.000 0.920 409 Q HN 0.690 nan 8.270 nan 0.000 0.415 410 G N 0.322 109.079 108.800 -0.071 0.000 2.448 410 G HA2 -0.211 3.764 3.960 0.024 0.000 0.218 410 G HA3 -0.211 3.764 3.960 0.024 0.000 0.218 410 G C 1.521 176.435 174.900 0.024 0.000 1.135 410 G CA 0.262 45.364 45.100 0.003 0.000 0.784 410 G HN 0.256 nan 8.290 nan 0.000 0.543 411 R N -0.150 120.311 120.500 -0.064 0.000 2.105 411 R HA 0.010 4.365 4.340 0.024 0.000 0.239 411 R C 2.500 178.845 176.300 0.075 0.000 1.135 411 R CA 0.948 57.049 56.100 0.002 0.000 0.967 411 R CB -0.478 29.783 30.300 -0.065 0.000 0.861 411 R HN 0.344 nan 8.270 nan 0.000 0.442 412 L N -0.348 120.832 121.223 -0.071 0.000 2.079 412 L HA -0.220 4.135 4.340 0.024 0.000 0.210 412 L C 2.321 179.314 176.870 0.205 0.000 1.081 412 L CA 1.185 56.000 54.840 -0.041 0.000 0.752 412 L CB -0.512 41.398 42.059 -0.249 0.000 0.896 412 L HN 0.151 nan 8.230 nan 0.000 0.433 413 F N 0.337 120.314 119.950 0.045 0.000 2.102 413 F HA -0.247 4.295 4.527 0.024 0.000 0.298 413 F C 2.845 178.695 175.800 0.082 0.000 1.105 413 F CA 1.759 59.791 58.000 0.054 0.000 1.239 413 F CB -0.380 38.627 39.000 0.012 0.000 0.991 413 F HN -0.007 nan 8.300 nan 0.000 0.474 414 S N -0.741 114.920 115.700 -0.066 0.000 2.355 414 S HA -0.229 4.255 4.470 0.024 0.000 0.222 414 S C 2.106 176.559 174.600 -0.245 0.000 1.031 414 S CA 1.548 59.608 58.200 -0.233 0.000 0.993 414 S CB -0.877 62.249 63.200 -0.123 0.000 0.859 414 S HN 0.545 nan 8.310 nan 0.000 0.453 415 Y N 1.623 121.894 120.300 -0.050 0.000 2.224 415 Y HA -0.072 4.493 4.550 0.024 0.000 0.289 415 Y C 2.997 178.620 175.900 -0.462 0.000 1.146 415 Y CA 1.445 59.492 58.100 -0.087 0.000 1.182 415 Y CB -0.871 37.958 38.460 0.615 0.000 0.983 415 Y HN 0.280 nan 8.280 nan 0.000 0.524 416 T N -0.633 113.622 114.554 -0.498 0.000 2.737 416 T HA -0.197 4.168 4.350 0.024 0.000 0.265 416 T C 1.410 175.940 174.700 -0.284 0.000 1.038 416 T CA 1.592 63.463 62.100 -0.381 0.000 1.144 416 T CB -0.471 68.235 68.868 -0.269 0.000 0.866 416 T HN 0.359 nan 8.240 nan 0.000 0.434 417 D N 0.735 120.913 120.400 -0.369 0.000 2.092 417 D HA -0.138 4.516 4.640 0.024 0.000 0.193 417 D C 2.302 178.469 176.300 -0.222 0.000 0.994 417 D CA 1.763 55.567 54.000 -0.326 0.000 0.828 417 D CB -0.530 39.921 40.800 -0.582 0.000 0.963 417 D HN 0.246 nan 8.370 nan 0.000 0.450 418 T N -1.092 113.322 114.554 -0.235 0.000 2.788 418 T HA -0.162 4.203 4.350 0.024 0.000 0.268 418 T C 1.866 176.462 174.700 -0.174 0.000 1.044 418 T CA 1.539 63.536 62.100 -0.172 0.000 1.139 418 T CB -0.245 68.517 68.868 -0.177 0.000 0.867 418 T HN 0.232 nan 8.240 nan 0.000 0.454 419 Q N -0.070 119.567 119.800 -0.272 0.000 2.291 419 Q HA -0.008 4.346 4.340 0.024 0.000 0.205 419 Q C 2.184 178.052 176.000 -0.220 0.000 0.970 419 Q CA 0.860 56.439 55.803 -0.373 0.000 0.876 419 Q CB -0.080 28.170 28.738 -0.813 0.000 0.935 419 Q HN 0.471 nan 8.270 nan 0.000 0.455 420 I N 0.440 120.949 120.570 -0.101 0.000 2.208 420 I HA -0.253 3.932 4.170 0.024 0.000 0.245 420 I C 2.372 178.499 176.117 0.018 0.000 1.097 420 I CA 1.841 63.153 61.300 0.020 0.000 1.363 420 I CB -1.361 36.649 38.000 0.016 0.000 1.051 420 I HN 0.240 nan 8.210 nan 0.000 0.413 421 S N 0.091 115.785 115.700 -0.009 0.000 2.456 421 S HA -0.049 4.435 4.470 0.024 0.000 0.224 421 S C 2.122 176.730 174.600 0.013 0.000 1.035 421 S CA 0.067 58.273 58.200 0.010 0.000 0.940 421 S CB -0.249 62.956 63.200 0.009 0.000 0.799 421 S HN 0.331 nan 8.310 nan 0.000 0.508 422 R N 0.932 121.422 120.500 -0.017 0.000 2.075 422 R HA 0.194 4.548 4.340 0.024 0.000 0.232 422 R C 1.583 177.891 176.300 0.014 0.000 1.126 422 R CA 1.324 57.419 56.100 -0.008 0.000 0.963 422 R CB -0.219 30.054 30.300 -0.045 0.000 0.858 422 R HN 0.442 nan 8.270 nan 0.000 0.435 423 L N -1.024 120.203 121.223 0.007 0.000 2.640 423 L HA 0.319 4.674 4.340 0.024 0.000 0.230 423 L C 0.951 177.913 176.870 0.154 0.000 1.123 423 L CA 0.379 55.252 54.840 0.056 0.000 0.900 423 L CB 0.994 43.068 42.059 0.024 0.000 1.146 423 L HN 0.588 nan 8.230 nan 0.000 0.484 424 G N 0.025 108.910 108.800 0.141 0.000 2.176 424 G HA2 -0.119 3.855 3.960 0.024 0.000 0.253 424 G HA3 -0.119 3.855 3.960 0.024 0.000 0.253 424 G C 0.414 175.378 174.900 0.108 0.000 0.979 424 G CA -0.093 45.109 45.100 0.170 0.000 0.641 424 G HN 0.734 nan 8.290 nan 0.000 0.530 425 G N -1.510 107.376 108.800 0.144 0.000 2.324 425 G HA2 0.638 4.612 3.960 0.024 0.000 0.293 425 G HA3 0.638 4.612 3.960 0.024 0.000 0.293 425 G C -2.337 172.689 174.900 0.209 0.000 1.297 425 G CA 0.391 45.554 45.100 0.104 0.000 0.853 425 G HN 0.433 nan 8.290 nan 0.000 0.535 426 P HA 0.134 nan 4.420 nan 0.000 0.249 426 P C 0.120 177.407 177.300 -0.022 0.000 1.229 426 P CA 0.276 63.451 63.100 0.126 0.000 0.788 426 P CB 0.210 31.953 31.700 0.071 0.000 1.072 427 N N 0.420 119.113 118.700 -0.012 0.000 2.320 427 N HA 0.072 4.827 4.740 0.024 0.000 0.237 427 N C 0.998 176.340 175.510 -0.281 0.000 1.129 427 N CA -0.223 52.713 53.050 -0.190 0.000 0.854 427 N CB -0.484 37.936 38.487 -0.112 0.000 1.083 427 N HN 0.246 nan 8.380 nan 0.000 0.504 428 F N 0.837 120.772 119.950 -0.025 0.000 2.333 428 F HA -0.086 4.454 4.527 0.023 0.000 0.300 428 F C 2.204 177.941 175.800 -0.105 0.000 1.083 428 F CA 0.787 58.758 58.000 -0.050 0.000 1.395 428 F CB -0.789 38.204 39.000 -0.012 0.000 1.056 428 F HN 0.187 nan 8.300 nan 0.000 0.529 429 H N 0.301 119.098 119.070 -0.455 0.000 2.546 429 H HA 0.105 4.676 4.556 0.025 0.000 0.277 429 H C 0.791 175.977 175.328 -0.237 0.000 1.004 429 H CA 1.253 57.083 56.048 -0.363 0.000 1.231 429 H CB -0.628 28.781 29.762 -0.589 0.000 1.382 429 H HN 0.524 nan 8.280 nan 0.000 0.580 430 E N 0.886 120.713 120.200 -0.623 0.000 2.474 430 E HA 0.200 4.565 4.350 0.024 0.000 0.194 430 E C 0.282 176.773 176.600 -0.181 0.000 1.041 430 E CA -0.289 55.887 56.400 -0.373 0.000 0.874 430 E CB 0.632 30.112 29.700 -0.367 0.000 0.914 430 E HN 0.414 nan 8.360 nan 0.000 0.498 431 I N 2.481 122.966 120.570 -0.140 0.000 2.556 431 I HA -0.025 4.160 4.170 0.024 0.000 0.284 431 I C -1.539 174.521 176.117 -0.096 0.000 1.114 431 I CA -1.669 59.576 61.300 -0.093 0.000 1.418 431 I CB 0.793 38.753 38.000 -0.066 0.000 1.394 431 I HN -0.184 nan 8.210 nan 0.000 0.552 432 P HA -0.233 nan 4.420 nan 0.000 0.216 432 P C 1.631 178.858 177.300 -0.121 0.000 1.154 432 P CA 1.299 64.342 63.100 -0.095 0.000 0.865 432 P CB 0.180 31.830 31.700 -0.084 0.000 0.789 433 I N -1.169 119.304 120.570 -0.162 0.000 2.676 433 I HA -0.116 4.069 4.170 0.024 0.000 0.259 433 I C 1.308 177.353 176.117 -0.121 0.000 1.194 433 I CA 1.484 62.645 61.300 -0.232 0.000 1.473 433 I CB -0.390 37.356 38.000 -0.424 0.000 1.096 433 I HN -0.137 nan 8.210 nan 0.000 0.443 434 N N 0.715 119.360 118.700 -0.091 0.000 2.392 434 N HA 0.064 4.819 4.740 0.024 0.000 0.177 434 N C 0.229 175.745 175.510 0.010 0.000 1.066 434 N CA 0.163 53.189 53.050 -0.041 0.000 0.895 434 N CB -0.031 38.444 38.487 -0.020 0.000 0.988 434 N HN 0.364 nan 8.380 nan 0.000 0.457 435 R N 1.685 122.181 120.500 -0.006 0.000 2.590 435 R HA 0.183 4.538 4.340 0.024 0.000 0.274 435 R C -2.191 174.150 176.300 0.068 0.000 1.061 435 R CA -1.159 54.931 56.100 -0.016 0.000 1.081 435 R CB -0.266 30.022 30.300 -0.020 0.000 0.984 435 R HN 0.049 nan 8.270 nan 0.000 0.448 436 P HA 0.006 nan 4.420 nan 0.000 0.272 436 P C 0.444 177.798 177.300 0.089 0.000 1.240 436 P CA -0.175 62.982 63.100 0.096 0.000 0.791 436 P CB 0.616 32.327 31.700 0.018 0.000 0.978 437 T N -3.452 111.165 114.554 0.105 0.000 3.044 437 T HA 0.085 4.449 4.350 0.024 0.000 0.250 437 T C 0.935 175.671 174.700 0.060 0.000 1.081 437 T CA -0.013 62.114 62.100 0.045 0.000 1.040 437 T CB -1.063 67.817 68.868 0.020 0.000 0.962 437 T HN 0.598 nan 8.240 nan 0.000 0.506 438 C N 1.407 120.755 119.300 0.081 0.000 2.347 438 C HA 0.815 5.289 4.460 0.024 0.000 0.366 438 C C -2.422 172.620 174.990 0.088 0.000 1.241 438 C CA -2.466 56.599 59.018 0.078 0.000 2.360 438 C CB 0.374 28.163 27.740 0.081 0.000 2.290 438 C HN 0.189 nan 8.230 nan 0.000 0.587 439 P HA 0.357 nan 4.420 nan 0.000 0.271 439 P C -1.293 176.058 177.300 0.085 0.000 1.218 439 P CA 0.383 63.526 63.100 0.072 0.000 0.780 439 P CB 0.062 31.841 31.700 0.133 0.000 0.901 440 Y N -0.387 119.752 120.300 -0.268 0.000 2.361 440 Y HA 0.662 5.226 4.550 0.024 0.000 0.328 440 Y C -1.531 174.032 175.900 -0.562 0.000 1.044 440 Y CA -0.989 56.949 58.100 -0.269 0.000 1.085 440 Y CB 1.082 39.424 38.460 -0.196 0.000 1.194 440 Y HN 0.409 nan 8.280 nan 0.000 0.438 441 H N 3.723 122.698 119.070 -0.158 0.000 2.856 441 H HA 0.590 5.160 4.556 0.025 0.000 0.355 441 H C -1.027 174.185 175.328 -0.193 0.000 1.079 441 H CA -0.709 55.183 56.048 -0.260 0.000 1.240 441 H CB 1.701 31.327 29.762 -0.226 0.000 1.701 441 H HN 0.892 nan 8.280 nan 0.000 0.527 442 N N 0.533 119.133 118.700 -0.166 0.000 3.526 442 N HA 0.210 4.964 4.740 0.024 0.000 0.328 442 N C -1.106 174.178 175.510 -0.376 0.000 1.601 442 N CA -0.881 52.033 53.050 -0.226 0.000 0.834 442 N CB 0.765 39.246 38.487 -0.010 0.000 1.983 442 N HN 0.295 nan 8.380 nan 0.000 0.579 443 F N -0.379 119.603 119.950 0.054 0.000 2.639 443 F HA 0.382 4.924 4.527 0.024 0.000 0.302 443 F C 0.370 176.204 175.800 0.057 0.000 1.097 443 F CA -0.367 57.663 58.000 0.050 0.000 1.294 443 F CB 0.231 39.258 39.000 0.045 0.000 1.027 443 F HN 0.140 nan 8.300 nan 0.000 0.550 444 Q N 1.662 121.552 119.800 0.151 0.000 2.352 444 Q HA 0.352 4.706 4.340 0.024 0.000 0.260 444 Q C 0.110 176.173 176.000 0.104 0.000 0.976 444 Q CA 0.142 56.015 55.803 0.116 0.000 0.881 444 Q CB 0.976 29.758 28.738 0.074 0.000 1.235 444 Q HN 0.110 nan 8.270 nan 0.000 0.419 445 R N 1.570 122.129 120.500 0.097 0.000 2.855 445 R HA 0.335 4.689 4.340 0.024 0.000 0.266 445 R C -0.540 175.800 176.300 0.067 0.000 1.034 445 R CA -0.686 55.464 56.100 0.083 0.000 0.944 445 R CB 1.077 31.431 30.300 0.090 0.000 1.219 445 R HN 0.704 nan 8.270 nan 0.000 0.474 446 D N -0.107 120.326 120.400 0.055 0.000 3.301 446 D HA -0.209 4.446 4.640 0.024 0.000 0.217 446 D C 0.383 176.704 176.300 0.034 0.000 1.548 446 D CA 2.221 56.245 54.000 0.040 0.000 1.118 446 D CB -1.001 39.821 40.800 0.036 0.000 0.684 446 D HN 0.907 nan 8.370 nan 0.000 0.821 447 G N -1.431 107.381 108.800 0.019 0.000 2.705 447 G HA2 0.147 4.121 3.960 0.024 0.000 0.686 447 G HA3 0.147 4.121 3.960 0.024 0.000 0.686 447 G C -0.212 174.671 174.900 -0.028 0.000 1.285 447 G CA 0.049 45.151 45.100 0.003 0.000 0.800 447 G HN 0.749 nan 8.290 nan 0.000 0.611 448 M N 1.518 121.067 119.600 -0.085 0.000 2.245 448 M HA 0.403 4.898 4.480 0.024 0.000 0.335 448 M C 1.354 177.558 176.300 -0.161 0.000 1.155 448 M CA 1.634 56.806 55.300 -0.213 0.000 1.055 448 M CB -0.640 31.714 32.600 -0.409 0.000 1.670 448 M HN 1.192 nan 8.290 nan 0.000 0.447 449 H N -0.444 118.628 119.070 0.004 0.000 2.839 449 H HA -0.181 4.388 4.556 0.022 0.000 0.298 449 H C -0.413 174.904 175.328 -0.018 0.000 1.224 449 H CA 0.318 56.363 56.048 -0.005 0.000 1.144 449 H CB -1.443 28.317 29.762 -0.003 0.000 1.372 449 H HN 0.580 nan 8.280 nan 0.000 0.408 450 R N 1.356 121.897 120.500 0.068 0.000 2.370 450 R HA 0.092 4.447 4.340 0.024 0.000 0.309 450 R C 0.946 177.261 176.300 0.026 0.000 1.059 450 R CA 0.033 56.154 56.100 0.035 0.000 0.981 450 R CB 0.396 30.713 30.300 0.029 0.000 0.972 450 R HN 0.269 nan 8.270 nan 0.000 0.437 451 M N 2.561 122.163 119.600 0.004 0.000 2.556 451 M HA 0.234 4.729 4.480 0.024 0.000 0.259 451 M C 0.956 177.255 176.300 -0.002 0.000 1.175 451 M CA 0.981 56.279 55.300 -0.003 0.000 1.202 451 M CB -0.920 31.666 32.600 -0.025 0.000 1.298 451 M HN 0.702 nan 8.290 nan 0.000 0.492 452 G N 2.131 110.932 108.800 0.002 0.000 2.340 452 G HA2 0.339 4.314 3.960 0.024 0.000 0.245 452 G HA3 0.339 4.314 3.960 0.024 0.000 0.245 452 G C -0.300 174.597 174.900 -0.005 0.000 1.294 452 G CA -0.317 44.779 45.100 -0.006 0.000 0.896 452 G HN 0.319 nan 8.290 nan 0.000 0.522 453 I N 2.913 123.475 120.570 -0.013 0.000 2.306 453 I HA 0.109 4.294 4.170 0.024 0.000 0.288 453 I C -0.234 175.877 176.117 -0.011 0.000 1.036 453 I CA -0.494 60.803 61.300 -0.005 0.000 1.221 453 I CB 0.949 38.946 38.000 -0.004 0.000 1.385 453 I HN 0.393 nan 8.210 nan 0.000 0.472 454 D N 4.753 125.151 120.400 -0.004 0.000 2.304 454 D HA 0.094 4.749 4.640 0.024 0.000 0.250 454 D C 1.107 177.409 176.300 0.002 0.000 1.107 454 D CA 0.148 54.143 54.000 -0.008 0.000 0.885 454 D CB 2.028 42.828 40.800 -0.000 0.000 1.192 454 D HN 0.569 nan 8.370 nan 0.000 0.436 455 T N -1.080 113.471 114.554 -0.006 0.000 3.022 455 T HA -0.064 4.300 4.350 0.024 0.000 0.250 455 T C 0.869 175.573 174.700 0.007 0.000 1.060 455 T CA -0.485 61.614 62.100 -0.001 0.000 1.013 455 T CB 0.155 69.015 68.868 -0.013 0.000 0.982 455 T HN 0.138 nan 8.240 nan 0.000 0.508 456 N N 3.602 122.305 118.700 0.005 0.000 2.365 456 N HA 0.054 4.809 4.740 0.024 0.000 0.265 456 N C -1.625 173.918 175.510 0.055 0.000 1.288 456 N CA -1.339 51.726 53.050 0.025 0.000 0.869 456 N CB 1.361 39.862 38.487 0.023 0.000 1.071 456 N HN 0.104 nan 8.380 nan 0.000 0.480 457 P HA -0.016 nan 4.420 nan 0.000 0.220 457 P C -0.446 176.909 177.300 0.092 0.000 1.148 457 P CA 0.902 64.042 63.100 0.067 0.000 0.803 457 P CB 0.209 31.944 31.700 0.058 0.000 0.782 458 A N 0.685 123.552 122.820 0.079 0.000 2.312 458 A HA 0.460 4.795 4.320 0.024 0.000 0.328 458 A C 0.407 178.086 177.584 0.158 0.000 1.158 458 A CA -0.624 51.417 52.037 0.007 0.000 0.821 458 A CB 0.074 18.929 19.000 -0.241 0.000 1.170 458 A HN 0.282 nan 8.150 nan 0.000 0.490 459 N N -0.377 118.450 118.700 0.211 0.000 2.377 459 N HA 0.403 5.158 4.740 0.024 0.000 0.259 459 N C -0.881 174.806 175.510 0.295 0.000 1.332 459 N CA -0.397 52.865 53.050 0.354 0.000 0.877 459 N CB 0.411 39.061 38.487 0.273 0.000 1.299 459 N HN 0.704 nan 8.380 nan 0.000 0.501 460 Y N -1.288 118.881 120.300 -0.219 0.000 2.689 460 Y HA 0.667 5.231 4.550 0.024 0.000 0.333 460 Y C -1.787 173.528 175.900 -0.975 0.000 1.208 460 Y CA -1.342 56.453 58.100 -0.509 0.000 1.055 460 Y CB 0.839 39.171 38.460 -0.214 0.000 1.304 460 Y HN 0.092 nan 8.280 nan 0.000 0.455 461 E N 0.476 120.256 120.200 -0.701 0.000 2.366 461 E HA 0.659 5.023 4.350 0.024 0.000 0.278 461 E C -3.235 173.277 176.600 -0.146 0.000 0.923 461 E CA -1.972 54.099 56.400 -0.549 0.000 0.761 461 E CB 1.685 31.016 29.700 -0.615 0.000 1.231 461 E HN 0.568 nan 8.360 nan 0.000 0.443 462 P HA 0.291 nan 4.420 nan 0.000 0.275 462 P C -1.255 175.999 177.300 -0.075 0.000 1.227 462 P CA -0.430 62.606 63.100 -0.106 0.000 0.781 462 P CB 0.511 32.179 31.700 -0.053 0.000 0.906 463 N N -1.245 117.341 118.700 -0.189 0.000 2.262 463 N HA 0.351 5.106 4.740 0.024 0.000 0.295 463 N C 0.308 175.773 175.510 -0.076 0.000 1.161 463 N CA -0.760 52.188 53.050 -0.170 0.000 0.767 463 N CB 1.509 39.623 38.487 -0.622 0.000 1.499 463 N HN 0.188 nan 8.380 nan 0.000 0.476 464 S N 0.758 116.457 115.700 -0.002 0.000 2.502 464 S HA -0.002 4.482 4.470 0.024 0.000 0.215 464 S C 1.570 176.178 174.600 0.014 0.000 1.009 464 S CA -0.026 58.173 58.200 -0.001 0.000 0.908 464 S CB -0.813 62.397 63.200 0.017 0.000 0.801 464 S HN 0.711 nan 8.310 nan 0.000 0.505 465 I N -0.560 120.024 120.570 0.025 0.000 2.614 465 I HA 0.154 4.339 4.170 0.024 0.000 0.258 465 I C 1.384 177.526 176.117 0.041 0.000 1.189 465 I CA 1.454 62.778 61.300 0.040 0.000 1.462 465 I CB -0.391 37.650 38.000 0.068 0.000 1.092 465 I HN 0.208 nan 8.210 nan 0.000 0.442 466 N N 0.991 119.714 118.700 0.038 0.000 2.291 466 N HA 0.037 4.792 4.740 0.024 0.000 0.244 466 N C -0.188 175.418 175.510 0.160 0.000 1.216 466 N CA -0.054 53.058 53.050 0.103 0.000 0.879 466 N CB 0.038 38.601 38.487 0.127 0.000 1.167 466 N HN 0.225 nan 8.380 nan 0.000 0.515 467 D N 0.799 121.240 120.400 0.070 0.000 2.708 467 D HA -0.254 4.401 4.640 0.024 0.000 0.236 467 D C -0.249 175.947 176.300 -0.174 0.000 1.146 467 D CA 0.977 54.977 54.000 0.000 0.000 0.662 467 D CB -1.471 39.378 40.800 0.082 0.000 1.059 467 D HN 0.472 nan 8.370 nan 0.000 0.428 468 N N -1.444 117.180 118.700 -0.127 0.000 2.741 468 N HA -0.245 4.510 4.740 0.024 0.000 0.250 468 N C -0.981 174.453 175.510 -0.126 0.000 1.115 468 N CA 1.395 54.346 53.050 -0.165 0.000 0.724 468 N CB -1.220 37.129 38.487 -0.230 0.000 1.090 468 N HN 0.543 nan 8.380 nan 0.000 0.558 469 W N 0.699 122.047 121.300 0.081 0.000 2.438 469 W HA 0.474 5.148 4.660 0.024 0.000 0.324 469 W C -1.732 174.824 176.519 0.062 0.000 1.119 469 W CA -1.734 55.644 57.345 0.055 0.000 1.221 469 W CB 0.917 30.357 29.460 -0.032 0.000 1.253 469 W HN -0.039 nan 8.180 nan 0.000 0.555 470 P HA 0.221 nan 4.420 nan 0.000 0.274 470 P C -0.661 176.793 177.300 0.256 0.000 1.231 470 P CA -0.246 63.017 63.100 0.271 0.000 0.790 470 P CB 1.009 32.723 31.700 0.023 0.000 0.951 471 R N 1.144 121.778 120.500 0.224 0.000 2.474 471 R HA 0.321 4.675 4.340 0.024 0.000 0.295 471 R C 0.345 176.691 176.300 0.076 0.000 0.980 471 R CA -0.797 55.319 56.100 0.027 0.000 0.934 471 R CB 1.121 31.262 30.300 -0.265 0.000 1.101 471 R HN 0.503 nan 8.270 nan 0.000 0.469 472 E N 0.788 121.017 120.200 0.048 0.000 2.438 472 E HA 0.020 4.385 4.350 0.024 0.000 0.261 472 E C -0.497 176.131 176.600 0.046 0.000 1.103 472 E CA 0.708 57.143 56.400 0.059 0.000 0.959 472 E CB 0.636 30.361 29.700 0.041 0.000 0.958 472 E HN 0.350 nan 8.360 nan 0.000 0.447 473 T N 3.280 117.869 114.554 0.060 0.000 2.879 473 T HA 0.324 4.688 4.350 0.024 0.000 0.290 473 T C -2.442 172.283 174.700 0.042 0.000 0.993 473 T CA -1.498 60.635 62.100 0.054 0.000 0.975 473 T CB 1.483 70.396 68.868 0.074 0.000 0.981 473 T HN 0.255 nan 8.240 nan 0.000 0.439 474 P HA 0.231 nan 4.420 nan 0.000 0.269 474 P C -2.512 174.795 177.300 0.012 0.000 1.217 474 P CA -1.207 61.901 63.100 0.015 0.000 0.783 474 P CB -0.397 31.307 31.700 0.006 0.000 0.898 475 P HA 0.325 nan 4.420 nan 0.000 0.274 475 P C -0.112 177.178 177.300 -0.018 0.000 1.231 475 P CA 0.287 63.373 63.100 -0.023 0.000 0.790 475 P CB 0.806 32.473 31.700 -0.054 0.000 0.951 476 G N 1.232 110.021 108.800 -0.019 0.000 2.548 476 G HA2 0.407 4.382 3.960 0.024 0.000 0.301 476 G HA3 0.407 4.382 3.960 0.024 0.000 0.301 476 G C -2.509 172.383 174.900 -0.015 0.000 1.349 476 G CA -0.732 44.361 45.100 -0.012 0.000 0.792 476 G HN 0.197 nan 8.290 nan 0.000 0.481 477 P HA 0.103 nan 4.420 nan 0.000 0.225 477 P C 0.099 177.398 177.300 -0.003 0.000 1.156 477 P CA 0.953 64.047 63.100 -0.011 0.000 0.787 477 P CB 0.363 32.059 31.700 -0.007 0.000 0.802 478 K N -0.702 119.702 120.400 0.007 0.000 2.525 478 K HA 0.351 4.686 4.320 0.024 0.000 0.254 478 K C -0.023 176.593 176.600 0.028 0.000 0.934 478 K CA -0.848 55.451 56.287 0.019 0.000 0.802 478 K CB 1.869 34.381 32.500 0.021 0.000 1.295 478 K HN -0.347 nan 8.250 nan 0.000 0.433 479 R N -0.198 120.325 120.500 0.039 0.000 3.610 479 R HA -0.167 4.187 4.340 0.024 0.000 0.274 479 R C 0.076 176.404 176.300 0.048 0.000 1.123 479 R CA 1.028 57.157 56.100 0.049 0.000 0.747 479 R CB -2.157 28.173 30.300 0.049 0.000 1.149 479 R HN 0.951 nan 8.270 nan 0.000 0.471 480 G N -0.881 107.942 108.800 0.038 0.000 2.511 480 G HA2 0.603 4.578 3.960 0.024 0.000 0.316 480 G HA3 0.603 4.578 3.960 0.024 0.000 0.316 480 G C 0.356 175.287 174.900 0.051 0.000 1.210 480 G CA 0.039 45.160 45.100 0.035 0.000 0.969 480 G HN 0.254 nan 8.290 nan 0.000 0.492 481 G N -1.383 107.449 108.800 0.052 0.000 2.569 481 G HA2 0.395 4.370 3.960 0.024 0.000 0.249 481 G HA3 0.395 4.370 3.960 0.024 0.000 0.249 481 G C -0.617 174.334 174.900 0.085 0.000 1.216 481 G CA -0.536 44.616 45.100 0.086 0.000 0.845 481 G HN 0.471 nan 8.290 nan 0.000 0.568 482 F N 0.393 120.358 119.950 0.025 0.000 2.467 482 F HA 0.398 4.940 4.527 0.025 0.000 0.362 482 F C 0.513 176.328 175.800 0.025 0.000 1.090 482 F CA -0.182 57.829 58.000 0.019 0.000 1.202 482 F CB 0.827 39.840 39.000 0.023 0.000 1.113 482 F HN 0.429 nan 8.300 nan 0.000 0.541 483 E N 3.990 123.750 120.200 -0.732 0.000 2.256 483 E HA 0.304 4.669 4.350 0.024 0.000 0.268 483 E C -1.155 175.071 176.600 -0.623 0.000 0.877 483 E CA -0.784 55.364 56.400 -0.421 0.000 0.757 483 E CB 1.666 31.237 29.700 -0.214 0.000 1.183 483 E HN 0.629 nan 8.360 nan 0.000 0.418 484 S N 2.333 117.918 115.700 -0.191 0.000 2.580 484 S HA 0.037 4.521 4.470 0.024 0.000 0.274 484 S C -0.611 173.978 174.600 -0.018 0.000 1.329 484 S CA -0.383 57.803 58.200 -0.023 0.000 1.036 484 S CB 0.200 63.521 63.200 0.203 0.000 0.919 484 S HN 0.463 nan 8.310 nan 0.000 0.515 485 Y N 2.547 122.794 120.300 -0.089 0.000 2.721 485 Y HA -0.018 4.547 4.550 0.024 0.000 0.329 485 Y C 0.784 176.665 175.900 -0.031 0.000 1.211 485 Y CA 0.136 58.190 58.100 -0.077 0.000 1.512 485 Y CB 0.099 38.516 38.460 -0.071 0.000 1.249 485 Y HN 0.584 nan 8.280 nan 0.000 0.549 486 Q N 5.324 124.763 119.800 -0.602 0.000 3.254 486 Q HA 0.018 4.372 4.340 0.024 0.000 0.315 486 Q C -0.140 175.567 176.000 -0.487 0.000 1.405 486 Q CA -0.019 55.529 55.803 -0.425 0.000 0.966 486 Q CB -0.187 28.380 28.738 -0.284 0.000 1.706 486 Q HN 0.656 nan 8.270 nan 0.000 0.525 487 E N 1.511 121.508 120.200 -0.338 0.000 2.392 487 E HA -0.012 4.352 4.350 0.024 0.000 0.264 487 E C -0.340 176.239 176.600 -0.035 0.000 1.024 487 E CA -0.323 56.020 56.400 -0.094 0.000 0.903 487 E CB 0.704 30.495 29.700 0.152 0.000 0.963 487 E HN 0.273 nan 8.360 nan 0.000 0.432 488 R N 3.256 123.758 120.500 0.004 0.000 2.298 488 R HA 0.239 4.594 4.340 0.024 0.000 0.310 488 R C -1.283 175.043 176.300 0.043 0.000 1.068 488 R CA -0.486 55.623 56.100 0.015 0.000 0.957 488 R CB 0.770 31.082 30.300 0.020 0.000 1.003 488 R HN 0.312 nan 8.270 nan 0.000 0.454 489 V N 4.780 124.713 119.914 0.031 0.000 2.459 489 V HA 0.349 4.484 4.120 0.024 0.000 0.295 489 V C -0.597 175.511 176.094 0.025 0.000 1.029 489 V CA -0.496 61.825 62.300 0.035 0.000 0.874 489 V CB 1.402 33.242 31.823 0.029 0.000 0.985 489 V HN 0.946 nan 8.190 nan 0.000 0.438 490 E N 3.734 123.949 120.200 0.026 0.000 2.349 490 E HA 0.721 5.085 4.350 0.024 0.000 0.290 490 E C -0.593 176.015 176.600 0.013 0.000 0.901 490 E CA -0.418 55.991 56.400 0.016 0.000 0.800 490 E CB 1.812 31.520 29.700 0.015 0.000 1.303 490 E HN 0.987 nan 8.360 nan 0.000 0.397 491 G N 2.305 111.108 108.800 0.005 0.000 2.316 491 G HA2 0.172 4.147 3.960 0.024 0.000 0.296 491 G HA3 0.172 4.147 3.960 0.024 0.000 0.296 491 G C -1.546 173.351 174.900 -0.006 0.000 1.399 491 G CA -0.993 44.106 45.100 -0.001 0.000 0.833 491 G HN 0.430 nan 8.290 nan 0.000 0.565 492 N N 0.068 118.761 118.700 -0.011 0.000 2.482 492 N HA 0.309 5.063 4.740 0.024 0.000 0.279 492 N C -0.329 175.170 175.510 -0.018 0.000 1.182 492 N CA -0.377 52.665 53.050 -0.013 0.000 0.969 492 N CB 1.304 39.782 38.487 -0.015 0.000 1.201 492 N HN 0.449 nan 8.380 nan 0.000 0.523 493 K N 1.092 121.480 120.400 -0.019 0.000 2.307 493 K HA 0.152 4.486 4.320 0.024 0.000 0.285 493 K C -0.189 176.392 176.600 -0.032 0.000 1.073 493 K CA -0.107 56.165 56.287 -0.025 0.000 0.996 493 K CB -0.173 32.314 32.500 -0.022 0.000 0.994 493 K HN 0.343 nan 8.250 nan 0.000 0.452 494 V N 0.095 119.985 119.914 -0.039 0.000 2.962 494 V HA 0.483 4.618 4.120 0.024 0.000 0.313 494 V C -0.435 175.622 176.094 -0.062 0.000 1.099 494 V CA -1.341 60.931 62.300 -0.046 0.000 0.971 494 V CB 2.052 33.849 31.823 -0.043 0.000 1.028 494 V HN 0.600 nan 8.190 nan 0.000 0.430 495 R N 2.181 122.639 120.500 -0.069 0.000 2.755 495 R HA 0.604 4.959 4.340 0.024 0.000 0.268 495 R C -0.463 175.787 176.300 -0.084 0.000 1.295 495 R CA -0.080 55.965 56.100 -0.092 0.000 1.379 495 R CB 0.600 30.834 30.300 -0.110 0.000 1.170 495 R HN 0.921 nan 8.270 nan 0.000 0.584 496 E N 1.168 121.316 120.200 -0.087 0.000 2.372 496 E HA 0.285 4.649 4.350 0.024 0.000 0.279 496 E C -1.305 175.231 176.600 -0.107 0.000 0.946 496 E CA -1.040 55.313 56.400 -0.079 0.000 0.769 496 E CB 1.923 31.584 29.700 -0.065 0.000 1.230 496 E HN 0.062 nan 8.360 nan 0.000 0.442 497 R N 1.002 121.444 120.500 -0.096 0.000 2.357 497 R HA 0.289 4.643 4.340 0.024 0.000 0.296 497 R C -0.626 175.577 176.300 -0.162 0.000 1.052 497 R CA -0.031 55.981 56.100 -0.146 0.000 0.988 497 R CB 1.404 31.675 30.300 -0.048 0.000 1.025 497 R HN 0.334 nan 8.270 nan 0.000 0.469 498 S N 4.563 120.067 115.700 -0.327 0.000 2.549 498 S HA 0.154 4.639 4.470 0.024 0.000 0.283 498 S C -1.481 173.126 174.600 0.012 0.000 1.320 498 S CA -1.323 56.771 58.200 -0.177 0.000 1.058 498 S CB 0.667 63.726 63.200 -0.234 0.000 0.882 498 S HN 0.513 nan 8.310 nan 0.000 0.498 499 P HA -0.108 nan 4.420 nan 0.000 0.218 499 P C 1.371 178.737 177.300 0.109 0.000 1.148 499 P CA 1.184 64.322 63.100 0.063 0.000 0.822 499 P CB -0.247 31.474 31.700 0.035 0.000 0.784 500 S N -2.227 113.581 115.700 0.180 0.000 2.507 500 S HA -0.062 4.422 4.470 0.024 0.000 0.235 500 S C 1.461 176.204 174.600 0.238 0.000 0.988 500 S CA 0.568 58.890 58.200 0.203 0.000 0.944 500 S CB -1.302 62.044 63.200 0.244 0.000 0.762 500 S HN -0.041 nan 8.310 nan 0.000 0.526 501 F N 2.238 122.187 119.950 -0.003 0.000 2.789 501 F HA 0.381 4.923 4.527 0.024 0.000 0.300 501 F C 2.017 177.779 175.800 -0.063 0.000 1.132 501 F CA -0.684 57.315 58.000 -0.002 0.000 1.404 501 F CB -0.561 38.464 39.000 0.041 0.000 1.114 501 F HN 0.349 nan 8.300 nan 0.000 0.584 502 G N 0.516 109.331 108.800 0.026 0.000 3.471 502 G HA2 0.069 4.043 3.960 0.024 0.000 0.254 502 G HA3 0.069 4.043 3.960 0.024 0.000 0.254 502 G C -0.038 174.465 174.900 -0.661 0.000 1.199 502 G CA 0.180 45.121 45.100 -0.265 0.000 1.683 502 G HN 0.049 nan 8.290 nan 0.000 0.625 503 E N 0.142 119.854 120.200 -0.814 0.000 2.274 503 E HA 0.286 4.650 4.350 0.024 0.000 0.269 503 E C -0.924 175.248 176.600 -0.713 0.000 0.891 503 E CA -0.789 55.208 56.400 -0.673 0.000 0.784 503 E CB 1.379 30.934 29.700 -0.243 0.000 1.225 503 E HN 0.212 nan 8.360 nan 0.000 0.412 504 Y N 2.844 122.940 120.300 -0.340 0.000 2.500 504 Y HA 0.217 4.782 4.550 0.025 0.000 0.246 504 Y C 0.638 176.305 175.900 -0.388 0.000 1.146 504 Y CA -0.133 57.701 58.100 -0.444 0.000 1.230 504 Y CB 0.408 38.469 38.460 -0.665 0.000 1.214 504 Y HN 0.423 nan 8.280 nan 0.000 0.526 505 Y N -1.391 118.990 120.300 0.136 0.000 2.467 505 Y HA 0.083 4.648 4.550 0.024 0.000 0.259 505 Y C 2.366 178.324 175.900 0.097 0.000 1.084 505 Y CA 0.078 58.253 58.100 0.125 0.000 1.275 505 Y CB -0.276 38.262 38.460 0.130 0.000 1.208 505 Y HN 0.071 nan 8.280 nan 0.000 0.511 506 S N -1.097 114.742 115.700 0.231 0.000 2.414 506 S HA -0.144 4.341 4.470 0.024 0.000 0.227 506 S C 1.442 176.103 174.600 0.101 0.000 1.022 506 S CA 1.251 59.554 58.200 0.171 0.000 0.958 506 S CB -0.527 62.769 63.200 0.159 0.000 0.797 506 S HN 0.396 nan 8.310 nan 0.000 0.493 507 H N 3.115 122.107 119.070 -0.131 0.000 2.326 507 H HA 0.133 4.703 4.556 0.024 0.000 0.301 507 H C -0.670 174.443 175.328 -0.358 0.000 1.081 507 H CA 1.669 57.493 56.048 -0.372 0.000 1.334 507 H CB -1.751 27.588 29.762 -0.706 0.000 1.385 507 H HN 0.382 nan 8.280 nan 0.000 0.504 508 P HA -0.185 nan 4.420 nan 0.000 0.216 508 P C 1.492 178.970 177.300 0.297 0.000 1.153 508 P CA 1.692 64.909 63.100 0.195 0.000 0.858 508 P CB 0.073 31.929 31.700 0.260 0.000 0.789 509 R N -0.471 120.158 120.500 0.214 0.000 2.075 509 R HA -0.115 4.240 4.340 0.024 0.000 0.232 509 R C 2.178 178.605 176.300 0.212 0.000 1.126 509 R CA 1.067 57.303 56.100 0.226 0.000 0.963 509 R CB -1.081 29.313 30.300 0.157 0.000 0.858 509 R HN 0.047 nan 8.270 nan 0.000 0.435 510 L N 0.676 121.968 121.223 0.115 0.000 2.043 510 L HA -0.195 4.160 4.340 0.024 0.000 0.212 510 L C 1.984 178.933 176.870 0.131 0.000 1.075 510 L CA 1.824 56.704 54.840 0.067 0.000 0.752 510 L CB -0.760 41.269 42.059 -0.049 0.000 0.891 510 L HN 0.246 nan 8.230 nan 0.000 0.432 511 F N -1.035 118.962 119.950 0.079 0.000 2.102 511 F HA -0.268 4.274 4.527 0.025 0.000 0.298 511 F C 2.332 178.146 175.800 0.024 0.000 1.105 511 F CA 2.061 60.095 58.000 0.057 0.000 1.239 511 F CB -0.589 38.490 39.000 0.132 0.000 0.991 511 F HN 0.369 nan 8.300 nan 0.000 0.474 512 W N 1.491 122.801 121.300 0.017 0.000 2.335 512 W HA -0.235 4.440 4.660 0.024 0.000 0.311 512 W C 1.639 178.055 176.519 -0.173 0.000 1.213 512 W CA 1.772 59.065 57.345 -0.087 0.000 1.274 512 W CB -0.655 28.835 29.460 0.050 0.000 1.148 512 W HN 0.056 nan 8.180 nan 0.000 0.498 513 L N 1.131 122.262 121.223 -0.153 0.000 2.465 513 L HA -0.115 4.240 4.340 0.024 0.000 0.224 513 L C 2.120 178.805 176.870 -0.308 0.000 1.145 513 L CA 0.800 55.487 54.840 -0.255 0.000 0.834 513 L CB -0.645 41.386 42.059 -0.047 0.000 0.944 513 L HN -0.127 nan 8.230 nan 0.000 0.451 514 S N -1.676 113.822 115.700 -0.337 0.000 2.535 514 S HA 0.079 4.563 4.470 0.024 0.000 0.214 514 S C 0.793 175.122 174.600 -0.451 0.000 0.980 514 S CA -0.132 57.876 58.200 -0.319 0.000 0.907 514 S CB 0.118 63.175 63.200 -0.239 0.000 0.790 514 S HN 0.305 nan 8.310 nan 0.000 0.510 515 Q N 2.312 121.733 119.800 -0.631 0.000 2.368 515 Q HA 0.235 4.590 4.340 0.024 0.000 0.237 515 Q C 0.729 176.361 176.000 -0.614 0.000 0.987 515 Q CA 0.061 55.462 55.803 -0.671 0.000 0.896 515 Q CB 0.076 28.344 28.738 -0.784 0.000 1.241 515 Q HN 0.437 nan 8.270 nan 0.000 0.485 516 T N -2.238 111.915 114.554 -0.668 0.000 2.766 516 T HA 0.172 4.537 4.350 0.024 0.000 0.295 516 T C -1.774 172.456 174.700 -0.783 0.000 1.024 516 T CA -1.394 60.260 62.100 -0.743 0.000 1.018 516 T CB 0.399 68.601 68.868 -1.110 0.000 1.002 516 T HN 0.215 nan 8.240 nan 0.000 0.532 517 P HA -0.007 nan 4.420 nan 0.000 0.216 517 P C 1.376 178.450 177.300 -0.377 0.000 1.153 517 P CA 1.010 63.867 63.100 -0.405 0.000 0.848 517 P CB -0.255 31.327 31.700 -0.195 0.000 0.787 518 F N -0.247 119.515 119.950 -0.314 0.000 2.325 518 F HA 0.088 4.629 4.527 0.024 0.000 0.299 518 F C 1.752 177.213 175.800 -0.566 0.000 1.090 518 F CA 0.740 58.501 58.000 -0.399 0.000 1.392 518 F CB -1.547 37.208 39.000 -0.409 0.000 1.053 518 F HN -0.098 nan 8.300 nan 0.000 0.521 519 E N 0.470 120.154 120.200 -0.861 0.000 2.152 519 E HA -0.157 4.207 4.350 0.024 0.000 0.192 519 E C 2.165 178.580 176.600 -0.309 0.000 0.983 519 E CA 0.950 57.040 56.400 -0.516 0.000 0.818 519 E CB -0.210 29.163 29.700 -0.545 0.000 0.758 519 E HN 0.606 nan 8.360 nan 0.000 0.467 520 Q N 0.301 119.852 119.800 -0.415 0.000 2.079 520 Q HA -0.190 4.165 4.340 0.024 0.000 0.200 520 Q C 2.227 178.273 176.000 0.078 0.000 0.974 520 Q CA 1.309 56.913 55.803 -0.332 0.000 0.840 520 Q CB -0.095 28.217 28.738 -0.710 0.000 0.898 520 Q HN 0.022 nan 8.270 nan 0.000 0.430 521 R N 0.276 120.786 120.500 0.016 0.000 2.096 521 R HA -0.149 4.205 4.340 0.024 0.000 0.235 521 R C 1.536 178.006 176.300 0.283 0.000 1.127 521 R CA 1.869 58.057 56.100 0.147 0.000 0.968 521 R CB -0.443 29.908 30.300 0.084 0.000 0.861 521 R HN 0.442 nan 8.270 nan 0.000 0.440 522 H N -0.683 118.477 119.070 0.150 0.000 2.423 522 H HA 0.021 4.592 4.556 0.024 0.000 0.297 522 H C 1.975 177.411 175.328 0.180 0.000 1.075 522 H CA 1.154 57.304 56.048 0.169 0.000 1.342 522 H CB 0.064 29.933 29.762 0.178 0.000 1.395 522 H HN 0.182 nan 8.280 nan 0.000 0.530 523 I N 0.129 120.906 120.570 0.346 0.000 2.202 523 I HA -0.252 3.932 4.170 0.024 0.000 0.242 523 I C 2.303 178.693 176.117 0.456 0.000 1.091 523 I CA 0.758 62.295 61.300 0.395 0.000 1.368 523 I CB -0.118 38.205 38.000 0.538 0.000 1.058 523 I HN 0.079 nan 8.210 nan 0.000 0.410 524 V N 0.859 121.028 119.914 0.426 0.000 2.287 524 V HA -0.335 3.800 4.120 0.024 0.000 0.248 524 V C 2.082 178.342 176.094 0.277 0.000 1.053 524 V CA 2.144 64.645 62.300 0.335 0.000 1.027 524 V CB -0.635 31.347 31.823 0.266 0.000 0.646 524 V HN 0.418 nan 8.190 nan 0.000 0.447 525 D N 0.231 120.778 120.400 0.245 0.000 2.144 525 D HA -0.097 4.558 4.640 0.024 0.000 0.199 525 D C 2.159 178.534 176.300 0.124 0.000 0.984 525 D CA 1.531 55.644 54.000 0.188 0.000 0.834 525 D CB -0.577 40.339 40.800 0.193 0.000 0.955 525 D HN 0.477 nan 8.370 nan 0.000 0.465 526 G N 0.122 108.968 108.800 0.078 0.000 2.433 526 G HA2 -0.261 3.714 3.960 0.024 0.000 0.216 526 G HA3 -0.261 3.714 3.960 0.024 0.000 0.216 526 G C 1.476 176.373 174.900 -0.006 0.000 1.186 526 G CA 0.264 45.319 45.100 -0.075 0.000 0.779 526 G HN 0.168 nan 8.290 nan 0.000 0.543 527 F N 1.889 121.873 119.950 0.057 0.000 2.120 527 F HA -0.121 4.421 4.527 0.025 0.000 0.300 527 F C 3.182 178.912 175.800 -0.116 0.000 1.095 527 F CA 1.713 59.694 58.000 -0.032 0.000 1.249 527 F CB -0.412 38.576 39.000 -0.020 0.000 0.995 527 F HN 0.096 nan 8.300 nan 0.000 0.480 528 S N -0.212 115.581 115.700 0.156 0.000 2.355 528 S HA -0.196 4.288 4.470 0.024 0.000 0.222 528 S C 1.870 176.482 174.600 0.021 0.000 1.031 528 S CA 1.175 59.412 58.200 0.061 0.000 0.993 528 S CB -0.842 62.416 63.200 0.097 0.000 0.859 528 S HN 0.386 nan 8.310 nan 0.000 0.453 529 F N 2.670 122.585 119.950 -0.058 0.000 2.069 529 F HA -0.147 4.395 4.527 0.024 0.000 0.298 529 F C 2.440 178.183 175.800 -0.094 0.000 1.113 529 F CA 1.625 59.580 58.000 -0.075 0.000 1.214 529 F CB -0.250 38.642 39.000 -0.180 0.000 0.978 529 F HN 0.122 nan 8.300 nan 0.000 0.474 530 E N 0.493 120.654 120.200 -0.064 0.000 2.077 530 E HA -0.213 4.152 4.350 0.024 0.000 0.193 530 E C 2.335 178.755 176.600 -0.300 0.000 0.989 530 E CA 1.567 57.901 56.400 -0.111 0.000 0.800 530 E CB -0.504 29.260 29.700 0.107 0.000 0.746 530 E HN 0.487 nan 8.360 nan 0.000 0.452 531 L N 1.326 122.301 121.223 -0.413 0.000 2.376 531 L HA -0.097 4.257 4.340 0.024 0.000 0.219 531 L C 2.645 179.346 176.870 -0.282 0.000 1.133 531 L CA 0.844 55.402 54.840 -0.470 0.000 0.816 531 L CB -0.350 41.439 42.059 -0.451 0.000 0.933 531 L HN 0.132 nan 8.230 nan 0.000 0.449 532 S N -0.667 114.877 115.700 -0.261 0.000 2.453 532 S HA -0.084 4.400 4.470 0.024 0.000 0.231 532 S C 1.784 176.264 174.600 -0.199 0.000 1.005 532 S CA 0.431 58.504 58.200 -0.212 0.000 0.949 532 S CB -0.044 63.021 63.200 -0.224 0.000 0.774 532 S HN 0.299 nan 8.310 nan 0.000 0.510 533 K N 1.201 121.460 120.400 -0.234 0.000 2.459 533 K HA 0.269 4.604 4.320 0.024 0.000 0.193 533 K C -0.006 176.583 176.600 -0.019 0.000 1.030 533 K CA 0.050 56.264 56.287 -0.121 0.000 1.026 533 K CB 0.004 32.435 32.500 -0.115 0.000 0.809 533 K HN 0.309 nan 8.250 nan 0.000 0.504 534 V N 2.192 122.073 119.914 -0.055 0.000 2.455 534 V HA -0.021 4.113 4.120 0.024 0.000 0.273 534 V C 1.741 177.822 176.094 -0.021 0.000 1.045 534 V CA -0.029 62.265 62.300 -0.010 0.000 0.976 534 V CB 1.377 33.163 31.823 -0.063 0.000 0.993 534 V HN -0.108 nan 8.190 nan 0.000 0.475 535 V N 5.319 125.246 119.914 0.021 0.000 2.379 535 V HA -0.047 4.088 4.120 0.024 0.000 0.245 535 V C 1.296 177.380 176.094 -0.016 0.000 1.044 535 V CA 1.264 63.573 62.300 0.014 0.000 1.036 535 V CB -0.418 31.434 31.823 0.049 0.000 0.664 535 V HN 0.780 nan 8.190 nan 0.000 0.453 536 R N 1.212 121.682 120.500 -0.051 0.000 2.288 536 R HA 0.168 4.523 4.340 0.024 0.000 0.330 536 R C -1.686 174.504 176.300 -0.184 0.000 1.069 536 R CA -1.355 54.692 56.100 -0.088 0.000 0.941 536 R CB 0.361 30.574 30.300 -0.146 0.000 0.998 536 R HN 0.269 nan 8.270 nan 0.000 0.452 537 P HA -0.213 nan 4.420 nan 0.000 0.218 537 P C 0.768 178.030 177.300 -0.062 0.000 1.148 537 P CA 1.197 64.265 63.100 -0.054 0.000 0.822 537 P CB -0.047 31.660 31.700 0.011 0.000 0.784 538 Y N -1.080 119.220 120.300 0.000 0.000 2.333 538 Y HA -0.067 4.498 4.550 0.024 0.000 0.290 538 Y C 1.953 177.858 175.900 0.009 0.000 1.144 538 Y CA 0.668 58.769 58.100 0.002 0.000 1.228 538 Y CB -1.802 36.659 38.460 0.002 0.000 0.985 538 Y HN -0.133 nan 8.280 nan 0.000 0.542 539 I N 0.865 120.992 120.570 -0.738 0.000 2.315 539 I HA -0.232 3.953 4.170 0.024 0.000 0.248 539 I C 2.491 178.517 176.117 -0.152 0.000 1.117 539 I CA 1.324 62.385 61.300 -0.399 0.000 1.404 539 I CB -0.376 37.383 38.000 -0.402 0.000 1.071 539 I HN 0.174 nan 8.210 nan 0.000 0.419 540 R N 0.826 121.231 120.500 -0.159 0.000 2.081 540 R HA -0.157 4.197 4.340 0.024 0.000 0.235 540 R C 2.151 178.400 176.300 -0.084 0.000 1.131 540 R CA 1.470 57.489 56.100 -0.136 0.000 0.960 540 R CB -0.419 29.798 30.300 -0.138 0.000 0.856 540 R HN 0.470 nan 8.270 nan 0.000 0.436 541 E N 0.679 120.851 120.200 -0.047 0.000 2.051 541 E HA -0.189 4.175 4.350 0.024 0.000 0.192 541 E C 2.139 178.743 176.600 0.008 0.000 0.991 541 E CA 1.145 57.539 56.400 -0.010 0.000 0.799 541 E CB -0.127 29.589 29.700 0.026 0.000 0.748 541 E HN 0.287 nan 8.360 nan 0.000 0.449 542 R N 0.548 121.069 120.500 0.034 0.000 2.120 542 R HA -0.097 4.257 4.340 0.024 0.000 0.234 542 R C 2.427 178.751 176.300 0.040 0.000 1.123 542 R CA 0.882 57.012 56.100 0.051 0.000 0.975 542 R CB -0.286 30.062 30.300 0.080 0.000 0.866 542 R HN 0.041 nan 8.270 nan 0.000 0.446 543 V N 0.245 120.178 119.914 0.032 0.000 2.295 543 V HA -0.216 3.919 4.120 0.024 0.000 0.246 543 V C 2.258 178.345 176.094 -0.012 0.000 1.049 543 V CA 1.572 63.906 62.300 0.057 0.000 1.024 543 V CB -0.263 31.599 31.823 0.064 0.000 0.648 543 V HN 0.131 nan 8.190 nan 0.000 0.447 544 V N 0.562 120.441 119.914 -0.060 0.000 2.332 544 V HA -0.326 3.808 4.120 0.024 0.000 0.248 544 V C 2.338 178.396 176.094 -0.061 0.000 1.055 544 V CA 2.512 64.753 62.300 -0.098 0.000 1.038 544 V CB -0.713 31.054 31.823 -0.093 0.000 0.651 544 V HN 0.705 nan 8.190 nan 0.000 0.450 545 D N -0.755 119.640 120.400 -0.009 0.000 2.116 545 D HA -0.227 4.428 4.640 0.024 0.000 0.193 545 D C 2.231 178.598 176.300 0.110 0.000 0.998 545 D CA 1.453 55.479 54.000 0.044 0.000 0.836 545 D CB -0.090 40.748 40.800 0.062 0.000 0.951 545 D HN 0.293 nan 8.370 nan 0.000 0.449 546 Q N -0.174 119.665 119.800 0.065 0.000 2.096 546 Q HA -0.102 4.253 4.340 0.024 0.000 0.204 546 Q C 2.595 178.623 176.000 0.047 0.000 0.982 546 Q CA 0.792 56.636 55.803 0.068 0.000 0.850 546 Q CB -0.473 28.321 28.738 0.093 0.000 0.901 546 Q HN 0.468 nan 8.270 nan 0.000 0.422 547 L N -0.036 121.162 121.223 -0.042 0.000 2.131 547 L HA -0.154 4.201 4.340 0.024 0.000 0.210 547 L C 2.289 179.062 176.870 -0.162 0.000 1.092 547 L CA 0.976 55.721 54.840 -0.158 0.000 0.759 547 L CB -0.594 41.268 42.059 -0.328 0.000 0.903 547 L HN 0.100 nan 8.230 nan 0.000 0.435 548 A N -0.874 121.878 122.820 -0.113 0.000 2.067 548 A HA -0.194 4.140 4.320 0.024 0.000 0.219 548 A C 1.785 179.225 177.584 -0.240 0.000 1.158 548 A CA 1.170 53.108 52.037 -0.165 0.000 0.661 548 A CB -0.680 18.229 19.000 -0.151 0.000 0.801 548 A HN 0.429 nan 8.150 nan 0.000 0.452 549 H N -0.853 118.027 119.070 -0.315 0.000 2.529 549 H HA 0.177 4.747 4.556 0.025 0.000 0.277 549 H C 1.645 176.694 175.328 -0.465 0.000 0.999 549 H CA 1.249 56.988 56.048 -0.515 0.000 1.256 549 H CB -0.008 29.112 29.762 -1.070 0.000 1.402 549 H HN 0.514 nan 8.280 nan 0.000 0.566 550 I N -1.092 119.370 120.570 -0.181 0.000 2.512 550 I HA 0.049 4.233 4.170 0.024 0.000 0.247 550 I C -0.055 175.990 176.117 -0.120 0.000 1.094 550 I CA 0.609 61.863 61.300 -0.076 0.000 1.427 550 I CB 0.533 38.527 38.000 -0.010 0.000 1.149 550 I HN 0.126 nan 8.210 nan 0.000 0.438 551 D N -0.933 119.334 120.400 -0.221 0.000 2.871 551 D HA 0.177 4.832 4.640 0.024 0.000 0.209 551 D C 0.353 176.497 176.300 -0.259 0.000 1.292 551 D CA -0.400 53.456 54.000 -0.239 0.000 0.869 551 D CB 1.230 41.803 40.800 -0.379 0.000 1.663 551 D HN -0.181 nan 8.370 nan 0.000 0.557 552 L N 2.388 123.512 121.223 -0.165 0.000 2.046 552 L HA -0.079 4.275 4.340 0.024 0.000 0.208 552 L C 1.808 178.603 176.870 -0.126 0.000 1.077 552 L CA 1.813 56.570 54.840 -0.138 0.000 0.747 552 L CB -1.037 40.969 42.059 -0.089 0.000 0.896 552 L HN 0.642 nan 8.230 nan 0.000 0.432 553 T N 0.140 114.643 114.554 -0.085 0.000 2.777 553 T HA -0.191 4.174 4.350 0.024 0.000 0.266 553 T C 1.997 176.636 174.700 -0.102 0.000 1.040 553 T CA 0.815 62.901 62.100 -0.023 0.000 1.141 553 T CB -0.223 68.710 68.868 0.108 0.000 0.868 553 T HN 0.216 nan 8.240 nan 0.000 0.444 554 L N 0.798 121.822 121.223 -0.332 0.000 1.989 554 L HA -0.175 4.179 4.340 0.024 0.000 0.211 554 L C 2.780 179.429 176.870 -0.367 0.000 1.071 554 L CA 2.027 56.516 54.840 -0.586 0.000 0.749 554 L CB -0.752 40.617 42.059 -1.149 0.000 0.890 554 L HN 0.308 nan 8.230 nan 0.000 0.431 555 A N -0.870 121.758 122.820 -0.321 0.000 1.898 555 A HA -0.259 4.076 4.320 0.024 0.000 0.216 555 A C 2.049 179.541 177.584 -0.154 0.000 1.181 555 A CA 1.558 53.451 52.037 -0.240 0.000 0.620 555 A CB -0.490 18.383 19.000 -0.212 0.000 0.819 555 A HN 0.604 nan 8.150 nan 0.000 0.442 556 Q N -0.638 119.092 119.800 -0.116 0.000 2.084 556 Q HA -0.107 4.248 4.340 0.024 0.000 0.202 556 Q C 2.382 178.352 176.000 -0.050 0.000 0.978 556 Q CA 1.553 57.315 55.803 -0.069 0.000 0.844 556 Q CB -0.375 28.335 28.738 -0.045 0.000 0.898 556 Q HN 0.694 nan 8.270 nan 0.000 0.426 557 A N -0.140 122.654 122.820 -0.044 0.000 1.898 557 A HA -0.123 4.212 4.320 0.024 0.000 0.216 557 A C 2.257 179.832 177.584 -0.015 0.000 1.181 557 A CA 1.246 53.279 52.037 -0.006 0.000 0.620 557 A CB -0.542 18.477 19.000 0.033 0.000 0.819 557 A HN 0.225 nan 8.150 nan 0.000 0.442 558 V N -0.174 119.700 119.914 -0.067 0.000 2.358 558 V HA -0.195 3.940 4.120 0.024 0.000 0.246 558 V C 3.054 179.110 176.094 -0.064 0.000 1.047 558 V CA 1.723 63.980 62.300 -0.070 0.000 1.035 558 V CB -1.196 30.529 31.823 -0.163 0.000 0.658 558 V HN 0.604 nan 8.190 nan 0.000 0.452 559 A N 0.939 123.713 122.820 -0.077 0.000 1.892 559 A HA -0.326 4.009 4.320 0.024 0.000 0.218 559 A C 2.248 179.812 177.584 -0.034 0.000 1.188 559 A CA 2.591 54.592 52.037 -0.060 0.000 0.631 559 A CB -0.549 18.415 19.000 -0.059 0.000 0.822 559 A HN 0.622 nan 8.150 nan 0.000 0.447 560 K N 0.055 120.442 120.400 -0.021 0.000 2.097 560 K HA -0.140 4.195 4.320 0.024 0.000 0.206 560 K C 1.333 177.936 176.600 0.004 0.000 1.049 560 K CA 1.870 58.154 56.287 -0.005 0.000 0.933 560 K CB -0.291 32.211 32.500 0.003 0.000 0.717 560 K HN 0.412 nan 8.250 nan 0.000 0.442 561 N N 0.448 119.153 118.700 0.008 0.000 2.396 561 N HA -0.063 4.692 4.740 0.024 0.000 0.180 561 N C 1.027 176.537 175.510 0.000 0.000 1.028 561 N CA 0.987 54.048 53.050 0.019 0.000 0.893 561 N CB 0.067 38.577 38.487 0.039 0.000 0.967 561 N HN 0.308 nan 8.380 nan 0.000 0.440 562 L N -0.792 120.419 121.223 -0.020 0.000 2.640 562 L HA 0.298 4.653 4.340 0.024 0.000 0.230 562 L C 0.845 177.700 176.870 -0.025 0.000 1.123 562 L CA -0.171 54.649 54.840 -0.033 0.000 0.900 562 L CB -0.071 41.953 42.059 -0.059 0.000 1.146 562 L HN 0.028 nan 8.230 nan 0.000 0.484 563 G N 1.722 110.513 108.800 -0.015 0.000 2.295 563 G HA2 -0.278 3.697 3.960 0.024 0.000 0.287 563 G HA3 -0.278 3.697 3.960 0.024 0.000 0.287 563 G C -0.064 174.827 174.900 -0.014 0.000 1.055 563 G CA 0.165 45.258 45.100 -0.010 0.000 0.922 563 G HN 0.328 nan 8.290 nan 0.000 0.503 564 I N -0.605 119.953 120.570 -0.021 0.000 2.562 564 I HA 0.473 4.657 4.170 0.024 0.000 0.301 564 I C 0.349 176.453 176.117 -0.022 0.000 1.003 564 I CA -0.838 60.449 61.300 -0.022 0.000 1.127 564 I CB 1.867 39.848 38.000 -0.032 0.000 1.304 564 I HN 0.093 nan 8.210 nan 0.000 0.446 565 E N 4.604 124.793 120.200 -0.018 0.000 2.179 565 E HA 0.501 4.866 4.350 0.024 0.000 0.275 565 E C -1.176 175.409 176.600 -0.024 0.000 0.945 565 E CA -0.777 55.611 56.400 -0.019 0.000 0.792 565 E CB 2.133 31.826 29.700 -0.013 0.000 1.125 565 E HN 0.370 nan 8.360 nan 0.000 0.397 566 L N 2.224 123.428 121.223 -0.031 0.000 2.395 566 L HA 0.207 4.561 4.340 0.024 0.000 0.269 566 L C 0.968 177.821 176.870 -0.029 0.000 1.133 566 L CA -0.340 54.478 54.840 -0.036 0.000 0.812 566 L CB 0.752 42.781 42.059 -0.050 0.000 1.125 566 L HN 0.631 nan 8.230 nan 0.000 0.452 567 T N -2.793 111.745 114.554 -0.028 0.000 2.828 567 T HA 0.087 4.451 4.350 0.024 0.000 0.290 567 T C 0.684 175.367 174.700 -0.029 0.000 1.019 567 T CA -0.775 61.312 62.100 -0.023 0.000 1.031 567 T CB 1.023 69.881 68.868 -0.016 0.000 1.001 567 T HN 0.504 nan 8.240 nan 0.000 0.531 568 D N 0.523 120.909 120.400 -0.024 0.000 2.144 568 D HA -0.053 4.602 4.640 0.024 0.000 0.200 568 D C 1.583 177.863 176.300 -0.034 0.000 0.978 568 D CA 1.104 55.088 54.000 -0.027 0.000 0.833 568 D CB -0.282 40.506 40.800 -0.020 0.000 0.961 568 D HN 0.630 nan 8.370 nan 0.000 0.470 569 D N 0.454 120.835 120.400 -0.031 0.000 2.117 569 D HA -0.119 4.535 4.640 0.024 0.000 0.197 569 D C 2.073 178.336 176.300 -0.061 0.000 0.987 569 D CA 0.799 54.776 54.000 -0.037 0.000 0.829 569 D CB -0.192 40.594 40.800 -0.023 0.000 0.961 569 D HN 0.260 nan 8.370 nan 0.000 0.460 570 Q N -0.321 119.442 119.800 -0.062 0.000 2.124 570 Q HA -0.040 4.315 4.340 0.024 0.000 0.202 570 Q C 2.168 178.103 176.000 -0.108 0.000 0.977 570 Q CA 0.628 56.375 55.803 -0.093 0.000 0.850 570 Q CB -0.053 28.642 28.738 -0.072 0.000 0.901 570 Q HN 0.314 nan 8.270 nan 0.000 0.429 571 L N 0.685 121.862 121.223 -0.078 0.000 2.362 571 L HA -0.130 4.225 4.340 0.024 0.000 0.219 571 L C 1.130 177.954 176.870 -0.076 0.000 1.134 571 L CA 0.493 55.289 54.840 -0.073 0.000 0.807 571 L CB -0.079 41.949 42.059 -0.052 0.000 0.927 571 L HN 0.236 nan 8.230 nan 0.000 0.447 572 N N -0.264 118.389 118.700 -0.079 0.000 2.203 572 N HA 0.223 4.977 4.740 0.024 0.000 0.207 572 N C 0.368 175.819 175.510 -0.098 0.000 1.130 572 N CA -0.002 53.005 53.050 -0.073 0.000 0.861 572 N CB 0.630 39.086 38.487 -0.051 0.000 1.005 572 N HN 0.219 nan 8.380 nan 0.000 0.507 573 I N 1.295 121.774 120.570 -0.152 0.000 2.752 573 I HA -0.108 4.076 4.170 0.024 0.000 0.289 573 I C 1.249 177.270 176.117 -0.161 0.000 1.197 573 I CA 0.581 61.755 61.300 -0.211 0.000 1.432 573 I CB 0.436 38.182 38.000 -0.423 0.000 1.359 573 I HN -0.103 nan 8.210 nan 0.000 0.571 574 T N 8.130 122.615 114.554 -0.116 0.000 2.851 574 T HA 0.247 4.611 4.350 0.024 0.000 0.298 574 T C -1.893 172.764 174.700 -0.073 0.000 0.977 574 T CA -1.412 60.646 62.100 -0.069 0.000 1.126 574 T CB 0.415 69.264 68.868 -0.032 0.000 0.916 574 T HN 0.421 nan 8.240 nan 0.000 0.529 575 P HA 0.282 nan 4.420 nan 0.000 0.269 575 P C -2.545 174.765 177.300 0.017 0.000 1.215 575 P CA -1.236 61.845 63.100 -0.031 0.000 0.780 575 P CB -0.302 31.391 31.700 -0.011 0.000 0.898 576 P HA 0.263 nan 4.420 nan 0.000 0.274 576 P C -2.336 175.015 177.300 0.084 0.000 1.256 576 P CA -1.324 61.839 63.100 0.106 0.000 0.795 576 P CB -1.037 30.773 31.700 0.183 0.000 1.038 577 P HA 0.153 nan 4.420 nan 0.000 0.274 577 P C -0.313 177.031 177.300 0.073 0.000 1.256 577 P CA -0.056 63.088 63.100 0.072 0.000 0.795 577 P CB 0.273 32.017 31.700 0.074 0.000 1.038 578 D N -0.712 119.725 120.400 0.061 0.000 2.363 578 D HA 0.108 4.763 4.640 0.024 0.000 0.240 578 D C -0.183 176.159 176.300 0.070 0.000 1.236 578 D CA 0.042 54.075 54.000 0.055 0.000 0.927 578 D CB 0.265 41.095 40.800 0.049 0.000 1.150 578 D HN -0.043 nan 8.370 nan 0.000 0.458 579 V N 2.123 122.071 119.914 0.058 0.000 2.318 579 V HA 0.075 4.209 4.120 0.024 0.000 0.271 579 V C -0.023 176.159 176.094 0.146 0.000 1.030 579 V CA -0.568 61.795 62.300 0.106 0.000 0.844 579 V CB -0.100 31.713 31.823 -0.016 0.000 1.015 579 V HN 0.575 nan 8.190 nan 0.000 0.460 580 N N 4.555 123.351 118.700 0.160 0.000 2.699 580 N HA -0.226 4.529 4.740 0.024 0.000 0.256 580 N C 1.211 176.777 175.510 0.093 0.000 0.993 580 N CA 1.080 54.208 53.050 0.130 0.000 0.759 580 N CB -0.871 37.726 38.487 0.183 0.000 0.906 580 N HN 1.290 nan 8.380 nan 0.000 0.541 581 G N -2.589 106.254 108.800 0.071 0.000 2.189 581 G HA2 -0.322 3.653 3.960 0.024 0.000 0.267 581 G HA3 -0.322 3.653 3.960 0.024 0.000 0.267 581 G C 0.043 174.973 174.900 0.049 0.000 0.975 581 G CA 0.455 45.587 45.100 0.053 0.000 0.644 581 G HN 0.353 nan 8.290 nan 0.000 0.537 582 L N -0.380 120.876 121.223 0.055 0.000 2.375 582 L HA 0.607 4.961 4.340 0.024 0.000 0.271 582 L C 1.120 178.007 176.870 0.027 0.000 1.107 582 L CA 0.181 55.045 54.840 0.041 0.000 0.806 582 L CB 1.417 43.501 42.059 0.042 0.000 1.146 582 L HN 0.223 nan 8.230 nan 0.000 0.447 583 K N 1.342 121.752 120.400 0.018 0.000 2.483 583 K HA 0.190 4.524 4.320 0.024 0.000 0.206 583 K C -0.594 176.003 176.600 -0.006 0.000 1.086 583 K CA -0.037 56.257 56.287 0.011 0.000 1.052 583 K CB 0.731 33.238 32.500 0.011 0.000 0.904 583 K HN 0.720 nan 8.250 nan 0.000 0.557 584 K N -0.269 120.125 120.400 -0.009 0.000 2.740 584 K HA 0.109 4.444 4.320 0.024 0.000 0.279 584 K C -2.414 174.179 176.600 -0.012 0.000 1.038 584 K CA -0.874 55.394 56.287 -0.031 0.000 0.887 584 K CB 1.058 33.523 32.500 -0.058 0.000 1.411 584 K HN -0.141 nan 8.250 nan 0.000 0.381 585 D N 3.880 124.271 120.400 -0.015 0.000 2.479 585 D HA 0.262 4.916 4.640 0.024 0.000 0.246 585 D C -1.843 174.455 176.300 -0.003 0.000 1.336 585 D CA -2.082 51.927 54.000 0.015 0.000 0.967 585 D CB 2.029 42.861 40.800 0.054 0.000 1.275 585 D HN 0.368 nan 8.370 nan 0.000 0.577 586 P HA -0.140 nan 4.420 nan 0.000 0.221 586 P C 1.088 178.391 177.300 0.004 0.000 1.145 586 P CA 0.737 63.820 63.100 -0.028 0.000 0.795 586 P CB 0.135 31.824 31.700 -0.018 0.000 0.775 587 S N -0.779 114.956 115.700 0.058 0.000 2.555 587 S HA -0.006 4.478 4.470 0.024 0.000 0.230 587 S C 1.834 176.531 174.600 0.163 0.000 0.978 587 S CA 0.377 58.644 58.200 0.112 0.000 0.934 587 S CB -1.356 61.932 63.200 0.148 0.000 0.766 587 S HN 0.141 nan 8.310 nan 0.000 0.533 588 L N 1.145 122.438 121.223 0.116 0.000 2.418 588 L HA 0.214 4.569 4.340 0.024 0.000 0.218 588 L C 1.510 178.308 176.870 -0.120 0.000 1.125 588 L CA 0.124 55.035 54.840 0.119 0.000 0.835 588 L CB -0.357 41.781 42.059 0.131 0.000 0.953 588 L HN 0.319 nan 8.230 nan 0.000 0.454 589 S N -0.462 115.139 115.700 -0.166 0.000 2.610 589 S HA 0.337 4.822 4.470 0.024 0.000 0.273 589 S C 0.981 175.464 174.600 -0.195 0.000 1.274 589 S CA -0.629 57.413 58.200 -0.264 0.000 1.023 589 S CB 1.456 64.495 63.200 -0.268 0.000 0.962 589 S HN 0.154 nan 8.310 nan 0.000 0.523 590 L N 2.287 123.315 121.223 -0.326 0.000 2.162 590 L HA 0.110 4.464 4.340 0.024 0.000 0.205 590 L C 0.729 177.334 176.870 -0.442 0.000 1.086 590 L CA 0.877 55.428 54.840 -0.483 0.000 0.778 590 L CB -0.191 41.272 42.059 -0.993 0.000 0.928 590 L HN 0.761 nan 8.230 nan 0.000 0.446 591 Y N -2.108 118.184 120.300 -0.014 0.000 2.527 591 Y HA 0.356 4.920 4.550 0.024 0.000 0.247 591 Y C 2.048 177.955 175.900 0.013 0.000 1.138 591 Y CA -0.187 57.945 58.100 0.053 0.000 1.228 591 Y CB -0.479 38.038 38.460 0.095 0.000 1.252 591 Y HN -0.035 nan 8.280 nan 0.000 0.531 592 A N 0.713 123.551 122.820 0.030 0.000 1.865 592 A HA -0.095 4.240 4.320 0.024 0.000 0.217 592 A C 0.936 178.550 177.584 0.050 0.000 1.191 592 A CA 1.324 53.357 52.037 -0.006 0.000 0.623 592 A CB -0.476 18.478 19.000 -0.075 0.000 0.826 592 A HN 0.150 nan 8.150 nan 0.000 0.444 593 I N 0.860 121.465 120.570 0.057 0.000 2.347 593 I HA 0.294 4.478 4.170 0.024 0.000 0.283 593 I C -2.723 173.458 176.117 0.107 0.000 1.058 593 I CA -2.943 58.399 61.300 0.071 0.000 1.202 593 I CB 0.093 38.126 38.000 0.054 0.000 1.386 593 I HN 0.006 nan 8.210 nan 0.000 0.475 594 P HA 0.172 nan 4.420 nan 0.000 0.268 594 P C -0.116 177.261 177.300 0.129 0.000 1.205 594 P CA 0.170 63.374 63.100 0.172 0.000 0.771 594 P CB 0.645 32.453 31.700 0.180 0.000 0.858 595 D N -0.048 120.432 120.400 0.134 0.000 2.651 595 D HA 0.147 4.802 4.640 0.024 0.000 0.280 595 D C 0.706 177.061 176.300 0.092 0.000 1.496 595 D CA -0.453 53.606 54.000 0.098 0.000 0.792 595 D CB -0.632 40.220 40.800 0.086 0.000 1.144 595 D HN 0.347 nan 8.370 nan 0.000 0.470 596 G N 0.193 109.060 108.800 0.113 0.000 2.562 596 G HA2 0.303 4.278 3.960 0.024 0.000 0.233 596 G HA3 0.303 4.278 3.960 0.024 0.000 0.233 596 G C -0.564 174.374 174.900 0.063 0.000 1.266 596 G CA 0.113 45.272 45.100 0.099 0.000 0.852 596 G HN 0.230 nan 8.290 nan 0.000 0.581 597 D N 0.043 120.472 120.400 0.048 0.000 2.763 597 D HA 0.147 4.802 4.640 0.024 0.000 0.235 597 D C 0.355 176.667 176.300 0.021 0.000 1.334 597 D CA -0.655 53.361 54.000 0.026 0.000 0.950 597 D CB 1.770 42.578 40.800 0.014 0.000 1.433 597 D HN 0.128 nan 8.370 nan 0.000 0.580 598 V N 4.072 123.992 119.914 0.010 0.000 3.461 598 V HA 0.089 4.223 4.120 0.024 0.000 0.267 598 V C 0.953 177.032 176.094 -0.026 0.000 1.186 598 V CA 0.634 62.934 62.300 0.000 0.000 1.154 598 V CB -0.567 31.251 31.823 -0.009 0.000 0.802 598 V HN 0.471 nan 8.190 nan 0.000 0.474 599 K N 0.172 120.551 120.400 -0.035 0.000 2.412 599 K HA 0.328 4.663 4.320 0.024 0.000 0.281 599 K C 1.117 177.683 176.600 -0.057 0.000 1.027 599 K CA 0.841 57.089 56.287 -0.065 0.000 0.989 599 K CB 0.406 32.871 32.500 -0.058 0.000 0.935 599 K HN 0.436 nan 8.250 nan 0.000 0.475 600 G N 3.137 111.879 108.800 -0.097 0.000 2.176 600 G HA2 -0.211 3.764 3.960 0.024 0.000 0.253 600 G HA3 -0.211 3.764 3.960 0.024 0.000 0.253 600 G C 0.131 175.061 174.900 0.050 0.000 0.979 600 G CA -0.188 44.913 45.100 0.002 0.000 0.641 600 G HN 0.557 nan 8.290 nan 0.000 0.530 601 R N -0.221 120.283 120.500 0.006 0.000 2.726 601 R HA 0.667 5.022 4.340 0.024 0.000 0.272 601 R C 0.211 176.553 176.300 0.070 0.000 1.097 601 R CA -0.030 56.102 56.100 0.054 0.000 1.198 601 R CB 0.976 31.303 30.300 0.044 0.000 1.114 601 R HN 0.746 nan 8.270 nan 0.000 0.550 602 V N 0.394 120.371 119.914 0.104 0.000 2.841 602 V HA 0.508 4.643 4.120 0.024 0.000 0.310 602 V C -1.023 175.130 176.094 0.097 0.000 1.090 602 V CA -0.710 61.667 62.300 0.128 0.000 0.930 602 V CB 2.431 34.361 31.823 0.178 0.000 1.014 602 V HN 0.344 nan 8.190 nan 0.000 0.425 603 V N 5.419 125.385 119.914 0.086 0.000 2.628 603 V HA 0.867 5.002 4.120 0.024 0.000 0.306 603 V C 0.395 176.537 176.094 0.082 0.000 1.045 603 V CA -0.077 62.264 62.300 0.067 0.000 0.905 603 V CB 1.850 33.697 31.823 0.039 0.000 0.997 603 V HN 1.233 nan 8.190 nan 0.000 0.436 604 A N 5.667 128.537 122.820 0.084 0.000 2.276 604 A HA 0.836 5.171 4.320 0.024 0.000 0.316 604 A C -0.660 176.936 177.584 0.019 0.000 1.229 604 A CA -0.384 51.696 52.037 0.072 0.000 0.851 604 A CB 0.279 19.357 19.000 0.131 0.000 1.165 604 A HN 0.745 nan 8.150 nan 0.000 0.513 605 I N 3.691 124.268 120.570 0.011 0.000 2.382 605 I HA 0.237 4.422 4.170 0.024 0.000 0.285 605 I C -0.779 175.341 176.117 0.006 0.000 1.007 605 I CA -0.226 61.080 61.300 0.010 0.000 1.142 605 I CB 1.419 39.437 38.000 0.029 0.000 1.289 605 I HN 0.494 nan 8.210 nan 0.000 0.453 606 L N 7.163 128.381 121.223 -0.008 0.000 2.261 606 L HA 0.488 4.843 4.340 0.024 0.000 0.289 606 L C -0.029 176.922 176.870 0.135 0.000 1.059 606 L CA -0.377 54.511 54.840 0.080 0.000 0.816 606 L CB 0.423 42.447 42.059 -0.058 0.000 1.191 606 L HN 0.444 nan 8.230 nan 0.000 0.431 607 L N 3.240 124.576 121.223 0.188 0.000 2.469 607 L HA 0.479 4.834 4.340 0.024 0.000 0.253 607 L C -0.039 176.963 176.870 0.219 0.000 1.143 607 L CA -0.632 54.272 54.840 0.106 0.000 0.804 607 L CB 1.145 43.171 42.059 -0.055 0.000 1.214 607 L HN 0.722 nan 8.230 nan 0.000 0.476 608 N N -2.586 116.147 118.700 0.055 0.000 2.774 608 N HA 0.198 4.952 4.740 0.024 0.000 0.264 608 N C -0.478 174.964 175.510 -0.113 0.000 1.415 608 N CA -0.766 52.362 53.050 0.130 0.000 0.815 608 N CB 0.648 39.227 38.487 0.154 0.000 1.514 608 N HN 0.521 nan 8.380 nan 0.000 0.523 609 D N -1.413 118.964 120.400 -0.038 0.000 2.392 609 D HA -0.076 4.578 4.640 0.024 0.000 0.228 609 D C -0.475 175.784 176.300 -0.069 0.000 1.003 609 D CA 0.937 54.877 54.000 -0.101 0.000 0.917 609 D CB -0.126 40.682 40.800 0.012 0.000 0.890 609 D HN 0.695 nan 8.370 nan 0.000 0.532 610 E N 0.170 120.344 120.200 -0.043 0.000 3.711 610 E HA 0.162 4.527 4.350 0.024 0.000 0.267 610 E C -1.070 175.513 176.600 -0.028 0.000 1.198 610 E CA -0.315 56.065 56.400 -0.033 0.000 1.150 610 E CB 1.585 31.277 29.700 -0.014 0.000 1.297 610 E HN -0.039 nan 8.360 nan 0.000 0.399 611 V N 1.676 121.565 119.914 -0.041 0.000 2.655 611 V HA 0.017 4.151 4.120 0.024 0.000 0.300 611 V C 0.883 176.961 176.094 -0.027 0.000 1.044 611 V CA 0.332 62.615 62.300 -0.028 0.000 1.095 611 V CB 0.746 32.548 31.823 -0.033 0.000 0.952 611 V HN 0.435 nan 8.190 nan 0.000 0.485 612 R N 3.779 124.265 120.500 -0.024 0.000 2.474 612 R HA 0.011 4.366 4.340 0.024 0.000 0.339 612 R C 1.463 177.745 176.300 -0.030 0.000 1.033 612 R CA 0.606 56.689 56.100 -0.029 0.000 0.997 612 R CB 0.228 30.506 30.300 -0.036 0.000 0.963 612 R HN 0.940 nan 8.270 nan 0.000 0.438 613 S N 3.169 118.853 115.700 -0.027 0.000 2.474 613 S HA -0.151 4.333 4.470 0.024 0.000 0.235 613 S C 1.814 176.399 174.600 -0.024 0.000 0.997 613 S CA 0.666 58.851 58.200 -0.024 0.000 0.949 613 S CB 0.096 63.282 63.200 -0.022 0.000 0.766 613 S HN 0.704 nan 8.310 nan 0.000 0.517 614 A N 1.810 124.613 122.820 -0.028 0.000 1.968 614 A HA -0.022 4.313 4.320 0.024 0.000 0.217 614 A C 1.959 179.520 177.584 -0.038 0.000 1.169 614 A CA 1.368 53.386 52.037 -0.030 0.000 0.638 614 A CB -0.630 18.350 19.000 -0.033 0.000 0.812 614 A HN 0.453 nan 8.150 nan 0.000 0.446 615 D N -0.167 120.203 120.400 -0.050 0.000 2.097 615 D HA -0.092 4.563 4.640 0.024 0.000 0.197 615 D C 1.907 178.189 176.300 -0.030 0.000 0.984 615 D CA 0.832 54.792 54.000 -0.067 0.000 0.826 615 D CB -0.301 40.449 40.800 -0.082 0.000 0.973 615 D HN 0.369 nan 8.370 nan 0.000 0.460 616 L N 0.190 121.402 121.223 -0.019 0.000 2.083 616 L HA -0.141 4.214 4.340 0.024 0.000 0.209 616 L C 2.287 179.159 176.870 0.003 0.000 1.083 616 L CA 0.742 55.580 54.840 -0.003 0.000 0.752 616 L CB -0.032 42.022 42.059 -0.008 0.000 0.899 616 L HN 0.074 nan 8.230 nan 0.000 0.433 617 L N -1.279 119.942 121.223 -0.003 0.000 2.179 617 L HA -0.098 4.257 4.340 0.024 0.000 0.208 617 L C 2.657 179.532 176.870 0.008 0.000 1.096 617 L CA 0.814 55.655 54.840 0.002 0.000 0.779 617 L CB -0.485 41.572 42.059 -0.003 0.000 0.922 617 L HN 0.226 nan 8.230 nan 0.000 0.443 618 A N 0.086 122.910 122.820 0.006 0.000 1.968 618 A HA -0.111 4.224 4.320 0.024 0.000 0.217 618 A C 2.180 179.788 177.584 0.041 0.000 1.169 618 A CA 1.177 53.224 52.037 0.018 0.000 0.638 618 A CB -0.453 18.552 19.000 0.009 0.000 0.812 618 A HN 0.323 nan 8.150 nan 0.000 0.446 619 I N -0.405 120.194 120.570 0.048 0.000 2.193 619 I HA -0.211 3.973 4.170 0.024 0.000 0.240 619 I C 2.263 178.408 176.117 0.047 0.000 1.084 619 I CA 1.071 62.415 61.300 0.072 0.000 1.365 619 I CB -0.274 37.776 38.000 0.084 0.000 1.064 619 I HN 0.252 nan 8.210 nan 0.000 0.410 620 L N 0.319 121.561 121.223 0.032 0.000 2.201 620 L HA -0.177 4.177 4.340 0.024 0.000 0.212 620 L C 2.483 179.364 176.870 0.018 0.000 1.105 620 L CA 1.205 56.060 54.840 0.025 0.000 0.775 620 L CB -0.450 41.622 42.059 0.022 0.000 0.913 620 L HN 0.211 nan 8.230 nan 0.000 0.440 621 K N 0.078 120.488 120.400 0.017 0.000 2.116 621 K HA -0.040 4.295 4.320 0.024 0.000 0.203 621 K C 2.205 178.812 176.600 0.011 0.000 1.052 621 K CA 0.910 57.205 56.287 0.012 0.000 0.952 621 K CB 0.040 32.547 32.500 0.011 0.000 0.729 621 K HN 0.230 nan 8.250 nan 0.000 0.446 622 A N 1.122 123.953 122.820 0.018 0.000 1.902 622 A HA -0.123 4.212 4.320 0.024 0.000 0.217 622 A C 2.014 179.598 177.584 0.000 0.000 1.181 622 A CA 1.153 53.198 52.037 0.014 0.000 0.623 622 A CB -0.571 18.447 19.000 0.029 0.000 0.818 622 A HN 0.234 nan 8.150 nan 0.000 0.443 623 L N -0.664 120.559 121.223 -0.000 0.000 2.046 623 L HA -0.181 4.173 4.340 0.024 0.000 0.208 623 L C 2.690 179.536 176.870 -0.040 0.000 1.077 623 L CA 1.670 56.498 54.840 -0.020 0.000 0.747 623 L CB -0.447 41.606 42.059 -0.010 0.000 0.896 623 L HN 0.350 nan 8.230 nan 0.000 0.432 624 K N 0.581 120.968 120.400 -0.022 0.000 2.097 624 K HA -0.164 4.171 4.320 0.024 0.000 0.206 624 K C 2.066 178.648 176.600 -0.029 0.000 1.049 624 K CA 1.408 57.679 56.287 -0.025 0.000 0.933 624 K CB -0.051 32.447 32.500 -0.003 0.000 0.717 624 K HN 0.278 nan 8.250 nan 0.000 0.442 625 A N 1.366 124.174 122.820 -0.019 0.000 1.978 625 A HA -0.127 4.208 4.320 0.024 0.000 0.220 625 A C 1.787 179.355 177.584 -0.027 0.000 1.170 625 A CA 1.419 53.446 52.037 -0.017 0.000 0.636 625 A CB -0.121 18.874 19.000 -0.008 0.000 0.810 625 A HN 0.155 nan 8.150 nan 0.000 0.448 626 K N -1.515 118.862 120.400 -0.038 0.000 2.367 626 K HA 0.191 4.525 4.320 0.024 0.000 0.194 626 K C 0.942 177.497 176.600 -0.075 0.000 1.027 626 K CA 0.687 56.946 56.287 -0.046 0.000 1.075 626 K CB -0.052 32.423 32.500 -0.042 0.000 0.845 626 K HN 0.805 nan 8.250 nan 0.000 0.529 627 G N 1.600 110.339 108.800 -0.101 0.000 2.212 627 G HA2 -0.207 3.767 3.960 0.024 0.000 0.255 627 G HA3 -0.207 3.767 3.960 0.024 0.000 0.255 627 G C -0.155 174.564 174.900 -0.303 0.000 1.062 627 G CA 0.101 45.101 45.100 -0.167 0.000 0.815 627 G HN 0.073 nan 8.290 nan 0.000 0.497 628 V N 0.515 120.268 119.914 -0.269 0.000 2.483 628 V HA 0.537 4.671 4.120 0.024 0.000 0.295 628 V C 0.670 176.562 176.094 -0.338 0.000 1.035 628 V CA -0.992 61.131 62.300 -0.295 0.000 0.896 628 V CB 1.366 33.116 31.823 -0.121 0.000 0.986 628 V HN 0.464 nan 8.190 nan 0.000 0.447 629 H N 1.710 120.788 119.070 0.013 0.000 2.547 629 H HA 0.713 5.284 4.556 0.025 0.000 0.362 629 H C 0.243 175.587 175.328 0.027 0.000 1.181 629 H CA 0.178 56.237 56.048 0.018 0.000 1.376 629 H CB 1.106 30.881 29.762 0.021 0.000 1.488 629 H HN 0.868 nan 8.280 nan 0.000 0.583 630 A N 1.733 124.647 122.820 0.156 0.000 2.365 630 A HA 0.507 4.842 4.320 0.024 0.000 0.318 630 A C -0.787 176.852 177.584 0.091 0.000 1.091 630 A CA -0.942 51.153 52.037 0.097 0.000 0.763 630 A CB 1.046 20.085 19.000 0.065 0.000 1.248 630 A HN 0.686 nan 8.150 nan 0.000 0.442 631 K N 2.503 122.951 120.400 0.079 0.000 2.450 631 K HA 0.419 4.753 4.320 0.024 0.000 0.257 631 K C -1.342 175.288 176.600 0.049 0.000 0.953 631 K CA -0.298 56.029 56.287 0.068 0.000 0.844 631 K CB 1.670 34.222 32.500 0.086 0.000 1.103 631 K HN 0.636 nan 8.250 nan 0.000 0.429 632 L N 5.018 126.261 121.223 0.034 0.000 2.283 632 L HA 0.266 4.620 4.340 0.024 0.000 0.287 632 L C -0.515 176.363 176.870 0.013 0.000 1.073 632 L CA -0.728 54.124 54.840 0.020 0.000 0.822 632 L CB 0.060 42.124 42.059 0.008 0.000 1.186 632 L HN 0.257 nan 8.230 nan 0.000 0.436 633 L N 4.559 125.792 121.223 0.016 0.000 2.334 633 L HA 0.599 4.954 4.340 0.024 0.000 0.273 633 L C -0.509 176.337 176.870 -0.040 0.000 1.013 633 L CA -0.346 54.475 54.840 -0.032 0.000 0.816 633 L CB 1.517 43.570 42.059 -0.009 0.000 1.278 633 L HN 0.292 nan 8.230 nan 0.000 0.431 634 Y N -0.861 119.120 120.300 -0.532 0.000 2.705 634 Y HA 0.282 4.846 4.550 0.024 0.000 0.332 634 Y C 0.796 176.083 175.900 -1.021 0.000 1.221 634 Y CA -0.894 56.820 58.100 -0.644 0.000 1.059 634 Y CB 1.702 40.008 38.460 -0.257 0.000 1.298 634 Y HN 0.564 nan 8.280 nan 0.000 0.459 635 S N 0.914 115.696 115.700 -1.529 0.000 2.603 635 S HA 0.233 4.717 4.470 0.024 0.000 0.220 635 S C 0.059 174.333 174.600 -0.543 0.000 0.967 635 S CA 0.391 58.035 58.200 -0.926 0.000 0.920 635 S CB -0.324 62.526 63.200 -0.584 0.000 0.773 635 S HN 0.620 nan 8.310 nan 0.000 0.529 636 R N -1.374 118.874 120.500 -0.420 0.000 2.733 636 R HA 0.603 4.958 4.340 0.024 0.000 0.272 636 R C -0.914 175.367 176.300 -0.033 0.000 1.029 636 R CA -1.054 54.956 56.100 -0.150 0.000 0.888 636 R CB 0.481 30.734 30.300 -0.078 0.000 1.251 636 R HN -0.075 nan 8.270 nan 0.000 0.464 637 M N 0.277 119.869 119.600 -0.014 0.000 2.154 637 M HA 0.561 5.056 4.480 0.024 0.000 0.251 637 M C 1.017 177.336 176.300 0.033 0.000 1.200 637 M CA 0.906 56.211 55.300 0.007 0.000 0.967 637 M CB 0.500 33.096 32.600 -0.006 0.000 1.362 637 M HN 1.053 nan 8.290 nan 0.000 0.522 638 G N 0.798 109.610 108.800 0.020 0.000 2.516 638 G HA2 -0.132 3.843 3.960 0.024 0.000 0.220 638 G HA3 -0.132 3.843 3.960 0.024 0.000 0.220 638 G C -0.909 173.994 174.900 0.005 0.000 1.165 638 G CA -0.502 44.608 45.100 0.015 0.000 1.013 638 G HN 0.614 nan 8.290 nan 0.000 0.590 639 E N -1.026 119.171 120.200 -0.004 0.000 2.336 639 E HA 0.635 5.000 4.350 0.024 0.000 0.267 639 E C -0.402 176.156 176.600 -0.070 0.000 0.906 639 E CA -0.581 55.799 56.400 -0.034 0.000 0.781 639 E CB 2.768 32.452 29.700 -0.027 0.000 1.261 639 E HN 1.123 nan 8.360 nan 0.000 0.436 640 V N -1.363 118.481 119.914 -0.117 0.000 2.823 640 V HA 0.635 4.770 4.120 0.024 0.000 0.312 640 V C -0.440 175.584 176.094 -0.115 0.000 1.072 640 V CA -0.816 61.377 62.300 -0.178 0.000 0.937 640 V CB 1.848 33.472 31.823 -0.332 0.000 1.013 640 V HN 0.599 nan 8.190 nan 0.000 0.430 641 T N 3.397 117.892 114.554 -0.098 0.000 2.758 641 T HA 0.732 5.097 4.350 0.024 0.000 0.285 641 T C 0.445 175.106 174.700 -0.065 0.000 0.981 641 T CA 0.247 62.308 62.100 -0.065 0.000 0.965 641 T CB 1.281 70.123 68.868 -0.044 0.000 0.927 641 T HN 1.303 nan 8.240 nan 0.000 0.448 642 A N 2.686 125.472 122.820 -0.056 0.000 2.366 642 A HA 0.301 4.636 4.320 0.024 0.000 0.250 642 A C 1.633 179.195 177.584 -0.036 0.000 1.099 642 A CA -0.277 51.731 52.037 -0.048 0.000 0.794 642 A CB 0.100 19.076 19.000 -0.040 0.000 1.056 642 A HN 0.905 nan 8.150 nan 0.000 0.499 643 D N 0.150 120.532 120.400 -0.030 0.000 2.149 643 D HA -0.207 4.447 4.640 0.024 0.000 0.198 643 D C 0.700 176.988 176.300 -0.021 0.000 0.990 643 D CA 1.607 55.592 54.000 -0.024 0.000 0.839 643 D CB -0.500 40.287 40.800 -0.022 0.000 0.948 643 D HN 0.608 nan 8.370 nan 0.000 0.460 644 D N -0.960 119.428 120.400 -0.021 0.000 2.323 644 D HA 0.161 4.815 4.640 0.024 0.000 0.239 644 D C 1.605 177.895 176.300 -0.017 0.000 1.129 644 D CA 0.529 54.518 54.000 -0.017 0.000 0.865 644 D CB -0.396 40.394 40.800 -0.016 0.000 0.913 644 D HN 0.431 nan 8.370 nan 0.000 0.517 645 G N -0.363 108.426 108.800 -0.020 0.000 2.179 645 G HA2 -0.275 3.699 3.960 0.024 0.000 0.260 645 G HA3 -0.275 3.699 3.960 0.024 0.000 0.260 645 G C 0.384 175.272 174.900 -0.021 0.000 0.977 645 G CA 0.388 45.476 45.100 -0.019 0.000 0.641 645 G HN 0.474 nan 8.290 nan 0.000 0.533 646 T N 0.697 115.238 114.554 -0.023 0.000 2.901 646 T HA 0.456 4.821 4.350 0.024 0.000 0.301 646 T C 0.481 175.164 174.700 -0.030 0.000 1.012 646 T CA -0.047 62.039 62.100 -0.023 0.000 1.135 646 T CB 2.354 71.209 68.868 -0.021 0.000 0.936 646 T HN 0.418 nan 8.240 nan 0.000 0.539 647 V N 5.520 125.418 119.914 -0.027 0.000 2.350 647 V HA 0.295 4.429 4.120 0.024 0.000 0.276 647 V C -0.213 175.861 176.094 -0.033 0.000 1.028 647 V CA -0.863 61.418 62.300 -0.032 0.000 0.860 647 V CB 0.802 32.611 31.823 -0.024 0.000 0.990 647 V HN 0.612 nan 8.190 nan 0.000 0.453 648 L N 7.711 128.905 121.223 -0.047 0.000 2.295 648 L HA 0.553 4.907 4.340 0.024 0.000 0.285 648 L C -2.389 174.456 176.870 -0.043 0.000 1.035 648 L CA -2.226 52.587 54.840 -0.045 0.000 0.806 648 L CB 1.247 43.271 42.059 -0.058 0.000 1.214 648 L HN 0.373 nan 8.230 nan 0.000 0.426 649 P HA 0.340 nan 4.420 nan 0.000 0.281 649 P C -0.311 176.979 177.300 -0.016 0.000 1.252 649 P CA -0.282 62.808 63.100 -0.017 0.000 0.778 649 P CB 1.184 32.880 31.700 -0.007 0.000 0.895 650 I N 2.457 123.020 120.570 -0.013 0.000 2.395 650 I HA 0.197 4.381 4.170 0.024 0.000 0.289 650 I C 1.594 177.711 176.117 0.001 0.000 1.023 650 I CA -0.368 60.929 61.300 -0.005 0.000 1.350 650 I CB 1.421 39.430 38.000 0.015 0.000 1.409 650 I HN 0.379 nan 8.210 nan 0.000 0.507 651 A N 5.357 128.180 122.820 0.004 0.000 1.898 651 A HA 0.526 4.860 4.320 0.024 0.000 0.214 651 A C 0.958 178.546 177.584 0.008 0.000 1.183 651 A CA 1.246 53.290 52.037 0.011 0.000 0.622 651 A CB 0.026 19.039 19.000 0.023 0.000 0.824 651 A HN 0.808 nan 8.150 nan 0.000 0.444 652 A N -2.075 120.743 122.820 -0.003 0.000 2.586 652 A HA 0.579 4.914 4.320 0.024 0.000 0.290 652 A C -0.007 177.539 177.584 -0.063 0.000 1.086 652 A CA 0.090 52.121 52.037 -0.010 0.000 0.665 652 A CB -0.196 18.820 19.000 0.026 0.000 1.279 652 A HN 0.750 nan 8.150 nan 0.000 0.423 653 T N -1.587 112.918 114.554 -0.081 0.000 2.788 653 T HA 0.548 4.913 4.350 0.024 0.000 0.280 653 T C 0.903 175.536 174.700 -0.111 0.000 0.984 653 T CA 0.142 62.122 62.100 -0.200 0.000 0.972 653 T CB 0.036 68.809 68.868 -0.158 0.000 1.039 653 T HN 0.466 nan 8.240 nan 0.000 0.530 654 F N 0.402 120.370 119.950 0.031 0.000 2.134 654 F HA 0.050 4.591 4.527 0.024 0.000 0.299 654 F C 2.970 178.890 175.800 0.199 0.000 1.097 654 F CA 0.902 58.972 58.000 0.116 0.000 1.264 654 F CB -0.799 38.258 39.000 0.096 0.000 1.001 654 F HN 0.685 nan 8.300 nan 0.000 0.479 655 A N 0.408 123.387 122.820 0.265 0.000 1.968 655 A HA 0.031 4.365 4.320 0.024 0.000 0.217 655 A C 2.443 180.094 177.584 0.112 0.000 1.169 655 A CA 1.481 53.618 52.037 0.167 0.000 0.638 655 A CB -1.435 17.622 19.000 0.095 0.000 0.812 655 A HN 0.397 nan 8.150 nan 0.000 0.446 656 G N -1.074 107.778 108.800 0.086 0.000 2.464 656 G HA2 0.294 4.269 3.960 0.024 0.000 0.217 656 G HA3 0.294 4.269 3.960 0.024 0.000 0.217 656 G C 0.659 175.609 174.900 0.083 0.000 1.138 656 G CA 0.920 46.055 45.100 0.060 0.000 0.793 656 G HN 1.037 nan 8.290 nan 0.000 0.539 657 A N 1.013 123.918 122.820 0.140 0.000 3.159 657 A HA 0.679 5.014 4.320 0.024 0.000 0.330 657 A C -2.560 175.176 177.584 0.253 0.000 1.032 657 A CA -1.166 50.971 52.037 0.165 0.000 0.841 657 A CB 1.065 20.160 19.000 0.158 0.000 1.093 657 A HN 0.109 nan 8.150 nan 0.000 0.478 658 P HA -0.008 nan 4.420 nan 0.000 0.270 658 P C 1.363 178.519 177.300 -0.241 0.000 1.227 658 P CA 0.491 63.553 63.100 -0.063 0.000 0.788 658 P CB 0.722 32.370 31.700 -0.087 0.000 0.926 659 S N 0.919 116.130 115.700 -0.815 0.000 2.440 659 S HA -0.154 4.331 4.470 0.024 0.000 0.238 659 S C 1.801 176.261 174.600 -0.234 0.000 1.010 659 S CA 1.039 58.871 58.200 -0.613 0.000 0.972 659 S CB -1.305 61.409 63.200 -0.809 0.000 0.774 659 S HN 0.359 nan 8.310 nan 0.000 0.501 660 L N 1.749 122.844 121.223 -0.213 0.000 2.129 660 L HA -0.100 4.254 4.340 0.024 0.000 0.212 660 L C 3.045 179.756 176.870 -0.265 0.000 1.087 660 L CA 1.690 56.401 54.840 -0.216 0.000 0.757 660 L CB -1.476 40.425 42.059 -0.262 0.000 0.896 660 L HN 0.632 nan 8.230 nan 0.000 0.434 661 T N -2.945 111.514 114.554 -0.158 0.000 3.113 661 T HA 0.138 4.503 4.350 0.024 0.000 0.256 661 T C 0.531 175.313 174.700 0.138 0.000 1.131 661 T CA 0.249 62.336 62.100 -0.021 0.000 1.074 661 T CB -0.453 68.485 68.868 0.117 0.000 0.944 661 T HN 0.159 nan 8.240 nan 0.000 0.516 662 V N -1.923 118.043 119.914 0.088 0.000 2.994 662 V HA 0.550 4.684 4.120 0.024 0.000 0.318 662 V C 0.158 176.296 176.094 0.074 0.000 1.085 662 V CA -0.966 61.407 62.300 0.122 0.000 0.998 662 V CB 2.015 33.927 31.823 0.148 0.000 1.063 662 V HN 0.020 nan 8.190 nan 0.000 0.447 663 D N 1.151 121.594 120.400 0.072 0.000 2.346 663 D HA 0.450 5.105 4.640 0.024 0.000 0.206 663 D C 0.563 176.845 176.300 -0.031 0.000 1.001 663 D CA 1.481 55.495 54.000 0.024 0.000 0.871 663 D CB 1.367 42.200 40.800 0.055 0.000 0.943 663 D HN 0.960 nan 8.370 nan 0.000 0.518 664 A N 0.113 122.929 122.820 -0.007 0.000 2.597 664 A HA 0.483 4.818 4.320 0.024 0.000 0.292 664 A C -1.543 176.047 177.584 0.010 0.000 1.057 664 A CA -0.575 51.443 52.037 -0.032 0.000 0.674 664 A CB 1.413 20.378 19.000 -0.057 0.000 1.278 664 A HN -0.101 nan 8.150 nan 0.000 0.416 665 V N 1.456 121.368 119.914 -0.002 0.000 2.487 665 V HA 0.569 4.703 4.120 0.024 0.000 0.298 665 V C -0.739 175.349 176.094 -0.010 0.000 1.028 665 V CA -0.199 62.111 62.300 0.018 0.000 0.860 665 V CB 1.331 33.179 31.823 0.043 0.000 0.991 665 V HN 0.665 nan 8.190 nan 0.000 0.427 666 I N 4.735 125.307 120.570 0.004 0.000 2.433 666 I HA 0.536 4.721 4.170 0.024 0.000 0.292 666 I C -0.544 175.593 176.117 0.032 0.000 1.001 666 I CA -0.570 60.755 61.300 0.042 0.000 1.119 666 I CB 2.148 40.203 38.000 0.092 0.000 1.289 666 I HN 0.304 nan 8.210 nan 0.000 0.438 667 V N 7.901 127.852 119.914 0.062 0.000 2.376 667 V HA 0.429 4.564 4.120 0.024 0.000 0.287 667 V C -2.317 173.832 176.094 0.091 0.000 1.015 667 V CA -1.627 60.696 62.300 0.037 0.000 0.834 667 V CB 1.215 33.025 31.823 -0.022 0.000 1.001 667 V HN 0.529 nan 8.190 nan 0.000 0.428 668 P HA 0.295 nan 4.420 nan 0.000 0.278 668 P C -0.003 177.313 177.300 0.027 0.000 1.258 668 P CA -0.510 62.610 63.100 0.033 0.000 0.811 668 P CB 0.805 32.517 31.700 0.019 0.000 1.063 669 C N 0.714 120.005 119.300 -0.014 0.000 2.705 669 C HA 0.695 5.169 4.460 0.024 0.000 0.382 669 C C 1.142 176.134 174.990 0.002 0.000 1.322 669 C CA 1.732 60.745 59.018 -0.009 0.000 2.290 669 C CB -1.269 26.445 27.740 -0.043 0.000 2.650 669 C HN 0.890 nan 8.230 nan 0.000 0.695 670 G N 2.012 110.816 108.800 0.007 0.000 2.403 670 G HA2 0.011 3.985 3.960 0.024 0.000 0.223 670 G HA3 0.011 3.985 3.960 0.024 0.000 0.223 670 G C -0.717 174.193 174.900 0.016 0.000 1.287 670 G CA -0.149 44.955 45.100 0.007 0.000 0.982 670 G HN 0.951 nan 8.290 nan 0.000 0.471 671 N N 1.416 120.130 118.700 0.023 0.000 2.819 671 N HA 0.121 4.875 4.740 0.024 0.000 0.284 671 N C 1.398 176.941 175.510 0.054 0.000 1.196 671 N CA -0.607 52.462 53.050 0.031 0.000 1.114 671 N CB -0.144 38.361 38.487 0.030 0.000 1.437 671 N HN 0.359 nan 8.380 nan 0.000 0.518 672 I N 1.735 122.332 120.570 0.045 0.000 2.423 672 I HA -0.221 3.964 4.170 0.024 0.000 0.254 672 I C 2.308 178.444 176.117 0.032 0.000 1.151 672 I CA 0.770 62.105 61.300 0.058 0.000 1.421 672 I CB -1.339 36.671 38.000 0.016 0.000 1.079 672 I HN 0.481 nan 8.210 nan 0.000 0.431 673 A N 0.350 123.177 122.820 0.011 0.000 2.067 673 A HA -0.232 4.103 4.320 0.024 0.000 0.219 673 A C 2.036 179.646 177.584 0.043 0.000 1.158 673 A CA 1.607 53.646 52.037 0.003 0.000 0.661 673 A CB -0.569 18.427 19.000 -0.006 0.000 0.801 673 A HN 0.363 nan 8.150 nan 0.000 0.452 674 D N 0.583 121.031 120.400 0.081 0.000 2.133 674 D HA -0.179 4.476 4.640 0.024 0.000 0.195 674 D C 1.527 177.915 176.300 0.148 0.000 0.997 674 D CA 1.943 56.019 54.000 0.126 0.000 0.840 674 D CB -0.154 40.755 40.800 0.180 0.000 0.947 674 D HN 0.653 nan 8.370 nan 0.000 0.452 675 I N -3.989 116.685 120.570 0.174 0.000 4.154 675 I HA 0.487 4.672 4.170 0.024 0.000 0.334 675 I C 1.740 177.976 176.117 0.198 0.000 1.371 675 I CA -0.131 61.290 61.300 0.200 0.000 1.110 675 I CB 0.331 38.496 38.000 0.274 0.000 1.085 675 I HN -0.110 nan 8.210 nan 0.000 0.398 676 A N 1.272 124.138 122.820 0.078 0.000 1.972 676 A HA -0.151 4.184 4.320 0.024 0.000 0.219 676 A C 1.789 179.360 177.584 -0.021 0.000 1.169 676 A CA 1.897 53.875 52.037 -0.099 0.000 0.635 676 A CB -0.435 18.426 19.000 -0.233 0.000 0.810 676 A HN 0.480 nan 8.150 nan 0.000 0.446 677 D N -0.655 119.756 120.400 0.018 0.000 2.349 677 D HA -0.000 4.654 4.640 0.024 0.000 0.214 677 D C 0.086 176.413 176.300 0.046 0.000 1.063 677 D CA -0.094 53.919 54.000 0.021 0.000 0.847 677 D CB -0.110 40.695 40.800 0.009 0.000 0.933 677 D HN 0.369 nan 8.370 nan 0.000 0.513 678 N N 0.907 119.648 118.700 0.069 0.000 2.442 678 N HA 0.012 4.766 4.740 0.024 0.000 0.265 678 N C 1.334 176.875 175.510 0.051 0.000 1.138 678 N CA 0.054 53.143 53.050 0.065 0.000 0.956 678 N CB 1.521 40.063 38.487 0.092 0.000 1.067 678 N HN -0.043 nan 8.380 nan 0.000 0.474 679 G N 3.493 112.323 108.800 0.050 0.000 2.469 679 G HA2 -0.286 3.688 3.960 0.024 0.000 0.219 679 G HA3 -0.286 3.688 3.960 0.024 0.000 0.219 679 G C 0.957 175.897 174.900 0.068 0.000 1.150 679 G CA 0.694 45.825 45.100 0.052 0.000 0.763 679 G HN 0.638 nan 8.290 nan 0.000 0.561 680 D N 0.952 121.395 120.400 0.072 0.000 2.117 680 D HA -0.017 4.638 4.640 0.024 0.000 0.198 680 D C 2.840 179.094 176.300 -0.077 0.000 0.982 680 D CA 1.224 55.288 54.000 0.108 0.000 0.828 680 D CB -0.539 40.406 40.800 0.242 0.000 0.967 680 D HN 0.319 nan 8.370 nan 0.000 0.464 681 A N 1.356 123.933 122.820 -0.405 0.000 1.877 681 A HA -0.202 4.133 4.320 0.024 0.000 0.216 681 A C 2.036 179.413 177.584 -0.346 0.000 1.186 681 A CA 1.347 52.911 52.037 -0.789 0.000 0.620 681 A CB -0.553 17.990 19.000 -0.762 0.000 0.822 681 A HN 0.160 nan 8.150 nan 0.000 0.443 682 N N -1.538 117.103 118.700 -0.097 0.000 2.084 682 N HA -0.199 4.556 4.740 0.024 0.000 0.190 682 N C 1.749 177.251 175.510 -0.014 0.000 1.030 682 N CA 1.875 54.930 53.050 0.009 0.000 0.849 682 N CB -0.474 38.086 38.487 0.121 0.000 1.012 682 N HN 0.676 nan 8.380 nan 0.000 0.423 683 Y N 0.688 120.955 120.300 -0.055 0.000 2.224 683 Y HA -0.293 4.272 4.550 0.024 0.000 0.289 683 Y C 2.422 178.278 175.900 -0.072 0.000 1.146 683 Y CA 1.360 59.425 58.100 -0.059 0.000 1.182 683 Y CB -0.406 38.026 38.460 -0.047 0.000 0.983 683 Y HN 0.045 nan 8.280 nan 0.000 0.524 684 Y N 0.470 120.661 120.300 -0.181 0.000 2.114 684 Y HA -0.334 4.231 4.550 0.024 0.000 0.282 684 Y C 2.105 177.815 175.900 -0.316 0.000 1.165 684 Y CA 2.189 60.145 58.100 -0.240 0.000 1.148 684 Y CB -0.528 37.790 38.460 -0.236 0.000 0.972 684 Y HN 0.131 nan 8.280 nan 0.000 0.504 685 L N -1.197 119.951 121.223 -0.125 0.000 2.141 685 L HA -0.233 4.122 4.340 0.024 0.000 0.209 685 L C 2.337 179.088 176.870 -0.198 0.000 1.094 685 L CA 1.230 55.976 54.840 -0.158 0.000 0.763 685 L CB -0.493 41.436 42.059 -0.217 0.000 0.908 685 L HN 0.297 nan 8.230 nan 0.000 0.437 686 M N -0.598 118.822 119.600 -0.300 0.000 2.200 686 M HA -0.176 4.319 4.480 0.024 0.000 0.265 686 M C 2.257 178.295 176.300 -0.437 0.000 1.066 686 M CA 1.518 56.626 55.300 -0.321 0.000 1.127 686 M CB -0.204 32.207 32.600 -0.316 0.000 1.379 686 M HN 0.211 nan 8.290 nan 0.000 0.420 687 E N 0.652 120.416 120.200 -0.726 0.000 2.072 687 E HA -0.153 4.212 4.350 0.024 0.000 0.190 687 E C 1.981 178.210 176.600 -0.619 0.000 0.982 687 E CA 1.175 57.116 56.400 -0.766 0.000 0.803 687 E CB 0.032 29.242 29.700 -0.816 0.000 0.755 687 E HN 0.439 nan 8.360 nan 0.000 0.453 688 A N 0.544 123.128 122.820 -0.393 0.000 1.902 688 A HA -0.213 4.122 4.320 0.024 0.000 0.217 688 A C 2.079 179.552 177.584 -0.185 0.000 1.181 688 A CA 1.529 53.427 52.037 -0.232 0.000 0.623 688 A CB -1.061 17.862 19.000 -0.129 0.000 0.818 688 A HN 0.589 nan 8.150 nan 0.000 0.443 689 Y N 0.541 120.684 120.300 -0.262 0.000 2.128 689 Y HA -0.253 4.311 4.550 0.024 0.000 0.284 689 Y C 2.409 178.183 175.900 -0.210 0.000 1.154 689 Y CA 2.471 60.447 58.100 -0.207 0.000 1.149 689 Y CB -0.202 38.152 38.460 -0.177 0.000 0.976 689 Y HN 0.314 nan 8.280 nan 0.000 0.505 690 K N -0.693 119.610 120.400 -0.161 0.000 2.097 690 K HA -0.216 4.119 4.320 0.024 0.000 0.206 690 K C 1.175 177.660 176.600 -0.191 0.000 1.049 690 K CA 1.965 58.122 56.287 -0.218 0.000 0.933 690 K CB -0.398 31.916 32.500 -0.310 0.000 0.717 690 K HN 0.586 nan 8.250 nan 0.000 0.442 691 H N 0.286 119.248 119.070 -0.180 0.000 2.536 691 H HA 0.158 4.729 4.556 0.024 0.000 0.276 691 H C -0.084 175.093 175.328 -0.251 0.000 1.019 691 H CA 0.119 56.054 56.048 -0.188 0.000 1.159 691 H CB 0.034 29.681 29.762 -0.192 0.000 1.373 691 H HN 0.116 nan 8.280 nan 0.000 0.584 692 L N 0.149 121.241 121.223 -0.219 0.000 4.040 692 L HA -0.291 4.064 4.340 0.024 0.000 0.410 692 L C -0.328 176.299 176.870 -0.405 0.000 1.187 692 L CA 0.624 55.244 54.840 -0.366 0.000 0.956 692 L CB -1.736 40.084 42.059 -0.398 0.000 2.022 692 L HN 0.317 nan 8.230 nan 0.000 0.897 693 K N 0.623 120.842 120.400 -0.302 0.000 2.144 693 K HA 0.501 4.835 4.320 0.024 0.000 0.270 693 K C -2.146 174.315 176.600 -0.231 0.000 1.005 693 K CA -1.808 54.316 56.287 -0.272 0.000 0.932 693 K CB 0.559 32.952 32.500 -0.178 0.000 1.021 693 K HN -0.188 nan 8.250 nan 0.000 0.462 694 P HA 0.120 nan 4.420 nan 0.000 0.271 694 P C -0.768 176.462 177.300 -0.117 0.000 1.216 694 P CA 0.158 63.156 63.100 -0.171 0.000 0.771 694 P CB 0.459 32.053 31.700 -0.177 0.000 0.864 695 I N 1.785 122.302 120.570 -0.089 0.000 2.465 695 I HA 0.625 4.810 4.170 0.024 0.000 0.291 695 I C -0.207 175.869 176.117 -0.069 0.000 1.014 695 I CA -0.844 60.424 61.300 -0.054 0.000 1.093 695 I CB 2.091 40.088 38.000 -0.004 0.000 1.267 695 I HN 0.268 nan 8.210 nan 0.000 0.431 696 A N 7.739 130.523 122.820 -0.060 0.000 2.343 696 A HA 0.867 5.202 4.320 0.024 0.000 0.308 696 A C -1.017 176.665 177.584 0.164 0.000 1.092 696 A CA -0.453 51.548 52.037 -0.061 0.000 0.751 696 A CB 0.930 19.745 19.000 -0.308 0.000 1.203 696 A HN 0.679 nan 8.150 nan 0.000 0.452 697 L N 2.397 123.781 121.223 0.268 0.000 2.343 697 L HA 0.688 5.042 4.340 0.024 0.000 0.278 697 L C 0.326 177.372 176.870 0.293 0.000 0.996 697 L CA -0.610 54.383 54.840 0.255 0.000 0.831 697 L CB 1.866 44.030 42.059 0.175 0.000 1.232 697 L HN 0.759 nan 8.230 nan 0.000 0.413 698 A N 2.423 125.328 122.820 0.141 0.000 2.290 698 A HA 0.758 5.092 4.320 0.024 0.000 0.310 698 A C 0.903 178.459 177.584 -0.046 0.000 1.202 698 A CA 0.420 52.390 52.037 -0.111 0.000 0.837 698 A CB 0.853 19.686 19.000 -0.279 0.000 1.139 698 A HN 1.012 nan 8.150 nan 0.000 0.509 699 G N 2.104 110.866 108.800 -0.064 0.000 2.665 699 G HA2 -0.368 3.607 3.960 0.024 0.000 0.326 699 G HA3 -0.368 3.607 3.960 0.024 0.000 0.326 699 G C 0.681 175.580 174.900 -0.003 0.000 1.231 699 G CA 0.894 45.972 45.100 -0.036 0.000 0.992 699 G HN 0.685 nan 8.290 nan 0.000 0.549 700 D N 1.769 122.167 120.400 -0.003 0.000 2.363 700 D HA 0.281 4.936 4.640 0.024 0.000 0.220 700 D C 2.542 178.854 176.300 0.020 0.000 0.994 700 D CA 1.137 55.135 54.000 -0.003 0.000 0.890 700 D CB -0.387 40.403 40.800 -0.017 0.000 0.906 700 D HN 0.635 nan 8.370 nan 0.000 0.530 701 A N 0.659 123.527 122.820 0.080 0.000 2.121 701 A HA -0.141 4.194 4.320 0.024 0.000 0.218 701 A C 2.056 179.768 177.584 0.213 0.000 1.154 701 A CA 0.565 52.726 52.037 0.206 0.000 0.679 701 A CB -0.328 18.794 19.000 0.204 0.000 0.795 701 A HN 0.117 nan 8.150 nan 0.000 0.458 702 R N -0.241 120.324 120.500 0.108 0.000 2.249 702 R HA -0.138 4.217 4.340 0.024 0.000 0.230 702 R C 1.787 178.105 176.300 0.031 0.000 1.121 702 R CA 1.424 57.572 56.100 0.080 0.000 0.997 702 R CB -0.222 30.107 30.300 0.049 0.000 0.867 702 R HN 0.512 nan 8.270 nan 0.000 0.465 703 K N -0.119 120.253 120.400 -0.046 0.000 2.152 703 K HA -0.150 4.184 4.320 0.024 0.000 0.206 703 K C 1.491 177.983 176.600 -0.180 0.000 1.048 703 K CA 1.433 57.629 56.287 -0.152 0.000 0.933 703 K CB -0.169 32.168 32.500 -0.273 0.000 0.721 703 K HN 0.131 nan 8.250 nan 0.000 0.447 704 F N 1.451 121.381 119.950 -0.033 0.000 2.307 704 F HA -0.185 4.357 4.527 0.025 0.000 0.301 704 F C 1.892 177.652 175.800 -0.067 0.000 1.076 704 F CA 1.013 58.983 58.000 -0.050 0.000 1.383 704 F CB -0.072 38.899 39.000 -0.048 0.000 1.055 704 F HN -0.029 nan 8.300 nan 0.000 0.526 705 K N 0.160 120.613 120.400 0.089 0.000 2.113 705 K HA -0.219 4.116 4.320 0.024 0.000 0.208 705 K C 2.307 178.889 176.600 -0.030 0.000 1.047 705 K CA 1.230 57.526 56.287 0.015 0.000 0.928 705 K CB -0.421 32.084 32.500 0.008 0.000 0.716 705 K HN 0.278 nan 8.250 nan 0.000 0.446 706 A N 0.697 123.499 122.820 -0.031 0.000 1.969 706 A HA -0.136 4.198 4.320 0.024 0.000 0.218 706 A C 2.170 179.726 177.584 -0.047 0.000 1.169 706 A CA 1.805 53.815 52.037 -0.046 0.000 0.635 706 A CB -0.763 18.205 19.000 -0.053 0.000 0.810 706 A HN 0.225 nan 8.150 nan 0.000 0.445 707 T N 0.707 115.251 114.554 -0.017 0.000 2.788 707 T HA -0.104 4.260 4.350 0.024 0.000 0.268 707 T C 1.406 176.053 174.700 -0.088 0.000 1.044 707 T CA 1.627 63.723 62.100 -0.006 0.000 1.139 707 T CB -0.476 68.456 68.868 0.107 0.000 0.867 707 T HN 0.697 nan 8.240 nan 0.000 0.454 708 I N -2.217 118.256 120.570 -0.162 0.000 3.914 708 I HA 0.370 4.555 4.170 0.024 0.000 0.333 708 I C -0.287 175.627 176.117 -0.339 0.000 1.449 708 I CA -0.443 60.641 61.300 -0.360 0.000 1.135 708 I CB 0.096 37.698 38.000 -0.663 0.000 1.073 708 I HN -0.145 nan 8.210 nan 0.000 0.401 709 K N 1.567 121.862 120.400 -0.176 0.000 3.096 709 K HA -0.119 4.216 4.320 0.024 0.000 0.266 709 K C -0.144 176.395 176.600 -0.102 0.000 1.043 709 K CA 0.513 56.731 56.287 -0.116 0.000 0.758 709 K CB -1.660 30.783 32.500 -0.096 0.000 1.260 709 K HN 0.426 nan 8.250 nan 0.000 0.481 710 I N 0.565 121.076 120.570 -0.099 0.000 2.472 710 I HA 0.222 4.407 4.170 0.024 0.000 0.290 710 I C 1.508 177.612 176.117 -0.021 0.000 1.016 710 I CA -0.750 60.520 61.300 -0.049 0.000 1.348 710 I CB 0.862 38.838 38.000 -0.038 0.000 1.417 710 I HN 0.232 nan 8.210 nan 0.000 0.521 711 A N 4.705 127.524 122.820 -0.002 0.000 2.386 711 A HA 0.132 4.467 4.320 0.024 0.000 0.246 711 A C 0.947 178.532 177.584 0.002 0.000 1.089 711 A CA -0.194 51.843 52.037 0.000 0.000 0.790 711 A CB 0.095 19.100 19.000 0.007 0.000 1.042 711 A HN 0.756 nan 8.150 nan 0.000 0.497 712 D N -0.281 120.119 120.400 0.000 0.000 2.117 712 D HA -0.163 4.492 4.640 0.024 0.000 0.197 712 D C 1.823 178.128 176.300 0.007 0.000 0.987 712 D CA 1.776 55.777 54.000 0.002 0.000 0.829 712 D CB -0.241 40.559 40.800 -0.000 0.000 0.961 712 D HN 0.713 nan 8.370 nan 0.000 0.460 713 Q N 0.101 119.906 119.800 0.008 0.000 2.152 713 Q HA -0.074 4.281 4.340 0.024 0.000 0.206 713 Q C 0.846 176.854 176.000 0.013 0.000 0.985 713 Q CA 1.497 57.306 55.803 0.010 0.000 0.863 713 Q CB -0.014 28.730 28.738 0.009 0.000 0.904 713 Q HN 0.323 nan 8.270 nan 0.000 0.422 714 G N 0.345 109.154 108.800 0.015 0.000 2.549 714 G HA2 -0.183 3.791 3.960 0.024 0.000 0.404 714 G HA3 -0.183 3.791 3.960 0.024 0.000 0.404 714 G C -1.221 173.691 174.900 0.020 0.000 1.292 714 G CA -0.173 44.939 45.100 0.020 0.000 0.935 714 G HN 0.431 nan 8.290 nan 0.000 0.512 715 E N -1.247 118.965 120.200 0.020 0.000 2.396 715 E HA 0.464 4.829 4.350 0.024 0.000 0.280 715 E C -0.808 175.791 176.600 -0.001 0.000 1.065 715 E CA -0.884 55.525 56.400 0.016 0.000 0.831 715 E CB 0.924 30.644 29.700 0.034 0.000 1.272 715 E HN 0.583 nan 8.360 nan 0.000 0.443 716 E N -0.056 120.134 120.200 -0.017 0.000 2.465 716 E HA 0.178 4.543 4.350 0.024 0.000 0.260 716 E C 0.641 177.200 176.600 -0.067 0.000 0.980 716 E CA 2.138 58.512 56.400 -0.044 0.000 0.927 716 E CB 0.637 30.307 29.700 -0.050 0.000 0.934 716 E HN 0.846 nan 8.360 nan 0.000 0.459 717 G N 3.649 112.396 108.800 -0.088 0.000 2.232 717 G HA2 -0.200 3.774 3.960 0.024 0.000 0.226 717 G HA3 -0.200 3.774 3.960 0.024 0.000 0.226 717 G C 0.109 174.960 174.900 -0.081 0.000 0.996 717 G CA -0.300 44.729 45.100 -0.119 0.000 0.626 717 G HN 0.451 nan 8.290 nan 0.000 0.509 718 I N 2.363 122.911 120.570 -0.037 0.000 2.359 718 I HA 0.467 4.652 4.170 0.024 0.000 0.284 718 I C 0.483 176.577 176.117 -0.038 0.000 1.018 718 I CA -1.211 60.081 61.300 -0.013 0.000 1.173 718 I CB 1.123 39.146 38.000 0.037 0.000 1.326 718 I HN -0.085 nan 8.210 nan 0.000 0.462 719 V N 7.679 127.538 119.914 -0.091 0.000 2.461 719 V HA 0.330 4.464 4.120 0.024 0.000 0.275 719 V C 0.317 176.408 176.094 -0.005 0.000 1.047 719 V CA -0.427 61.791 62.300 -0.137 0.000 0.955 719 V CB 1.006 32.603 31.823 -0.376 0.000 0.988 719 V HN 0.829 nan 8.190 nan 0.000 0.471 720 E N 4.406 124.674 120.200 0.114 0.000 2.331 720 E HA 0.886 5.251 4.350 0.024 0.000 0.275 720 E C -0.921 175.835 176.600 0.260 0.000 0.895 720 E CA -0.975 55.567 56.400 0.236 0.000 0.753 720 E CB 2.647 32.424 29.700 0.129 0.000 1.216 720 E HN 0.724 nan 8.360 nan 0.000 0.434 721 A N 1.824 124.788 122.820 0.240 0.000 2.581 721 A HA 0.330 4.665 4.320 0.024 0.000 0.290 721 A C -0.354 177.219 177.584 -0.018 0.000 1.119 721 A CA -0.627 51.474 52.037 0.107 0.000 0.670 721 A CB 1.312 20.393 19.000 0.134 0.000 1.280 721 A HN 0.676 nan 8.150 nan 0.000 0.425 722 D N 0.201 120.577 120.400 -0.039 0.000 2.144 722 D HA 0.018 4.673 4.640 0.024 0.000 0.200 722 D C 0.922 177.154 176.300 -0.113 0.000 0.978 722 D CA 2.237 56.202 54.000 -0.057 0.000 0.833 722 D CB 0.196 40.973 40.800 -0.038 0.000 0.961 722 D HN 0.720 nan 8.370 nan 0.000 0.470 723 S N -1.385 114.206 115.700 -0.181 0.000 2.607 723 S HA 0.616 5.100 4.470 0.024 0.000 0.273 723 S C -0.898 173.419 174.600 -0.470 0.000 1.148 723 S CA -0.876 57.173 58.200 -0.251 0.000 0.833 723 S CB 2.217 65.325 63.200 -0.153 0.000 1.130 723 S HN 0.011 nan 8.310 nan 0.000 0.470 724 A N 2.026 124.533 122.820 -0.521 0.000 2.915 724 A HA 0.530 4.864 4.320 0.024 0.000 0.292 724 A C 0.312 177.757 177.584 -0.232 0.000 1.632 724 A CA -0.124 51.506 52.037 -0.678 0.000 1.337 724 A CB -1.375 17.357 19.000 -0.447 0.000 1.111 724 A HN 0.870 nan 8.150 nan 0.000 0.569 725 D N 1.061 121.384 120.400 -0.128 0.000 2.876 725 D HA 0.408 5.062 4.640 0.024 0.000 0.197 725 D C 1.494 177.842 176.300 0.079 0.000 1.304 725 D CA 0.463 54.459 54.000 -0.007 0.000 1.152 725 D CB -0.615 40.170 40.800 -0.025 0.000 1.169 725 D HN 0.199 nan 8.370 nan 0.000 0.567 726 G N 0.136 108.973 108.800 0.062 0.000 2.957 726 G HA2 -0.300 3.675 3.960 0.024 0.000 0.207 726 G HA3 -0.300 3.675 3.960 0.024 0.000 0.207 726 G C 1.504 176.457 174.900 0.087 0.000 1.389 726 G CA 2.894 48.033 45.100 0.065 0.000 0.796 726 G HN 0.611 nan 8.290 nan 0.000 0.704 727 S N 0.129 115.881 115.700 0.087 0.000 2.423 727 S HA -0.035 4.450 4.470 0.024 0.000 0.231 727 S C 2.005 176.669 174.600 0.106 0.000 1.014 727 S CA 1.250 59.494 58.200 0.073 0.000 0.965 727 S CB -0.465 62.767 63.200 0.053 0.000 0.785 727 S HN 0.388 nan 8.310 nan 0.000 0.495 728 F N 2.611 122.559 119.950 -0.004 0.000 2.032 728 F HA -0.250 4.292 4.527 0.024 0.000 0.297 728 F C 2.427 178.222 175.800 -0.008 0.000 1.125 728 F CA 2.011 60.008 58.000 -0.005 0.000 1.202 728 F CB -0.255 38.743 39.000 -0.003 0.000 0.958 728 F HN 0.096 nan 8.300 nan 0.000 0.491 729 M N -0.131 119.564 119.600 0.157 0.000 2.159 729 M HA -0.196 4.298 4.480 0.024 0.000 0.263 729 M C 1.801 178.084 176.300 -0.027 0.000 1.063 729 M CA 1.433 56.755 55.300 0.036 0.000 1.110 729 M CB -1.357 31.302 32.600 0.099 0.000 1.374 729 M HN 0.205 nan 8.290 nan 0.000 0.411 730 D N 0.234 120.632 120.400 -0.004 0.000 2.183 730 D HA -0.100 4.554 4.640 0.024 0.000 0.203 730 D C 1.925 178.198 176.300 -0.045 0.000 0.969 730 D CA 0.867 54.856 54.000 -0.018 0.000 0.842 730 D CB 0.054 40.854 40.800 0.001 0.000 0.957 730 D HN 0.499 nan 8.370 nan 0.000 0.484 731 E N 0.555 120.714 120.200 -0.069 0.000 2.072 731 E HA -0.108 4.257 4.350 0.024 0.000 0.191 731 E C 2.159 178.681 176.600 -0.129 0.000 0.985 731 E CA 0.097 56.442 56.400 -0.091 0.000 0.801 731 E CB 0.025 29.660 29.700 -0.107 0.000 0.750 731 E HN 0.139 nan 8.360 nan 0.000 0.452 732 L N 1.268 122.378 121.223 -0.189 0.000 1.989 732 L HA -0.188 4.167 4.340 0.024 0.000 0.211 732 L C 2.174 178.968 176.870 -0.126 0.000 1.071 732 L CA 1.719 56.437 54.840 -0.204 0.000 0.749 732 L CB -0.644 41.248 42.059 -0.277 0.000 0.890 732 L HN 0.213 nan 8.230 nan 0.000 0.431 733 L N -0.720 120.448 121.223 -0.091 0.000 2.275 733 L HA -0.163 4.192 4.340 0.024 0.000 0.215 733 L C 2.338 179.178 176.870 -0.049 0.000 1.119 733 L CA 1.098 55.902 54.840 -0.059 0.000 0.790 733 L CB -0.565 41.470 42.059 -0.040 0.000 0.919 733 L HN 0.268 nan 8.230 nan 0.000 0.443 734 T N -0.135 114.387 114.554 -0.053 0.000 2.857 734 T HA -0.084 4.281 4.350 0.024 0.000 0.266 734 T C 1.928 176.598 174.700 -0.049 0.000 1.048 734 T CA 1.006 63.082 62.100 -0.040 0.000 1.139 734 T CB -0.118 68.727 68.868 -0.038 0.000 0.874 734 T HN 0.188 nan 8.240 nan 0.000 0.455 735 L N 0.322 121.497 121.223 -0.080 0.000 2.093 735 L HA 0.003 4.358 4.340 0.024 0.000 0.208 735 L C 2.675 179.480 176.870 -0.109 0.000 1.085 735 L CA 1.118 55.892 54.840 -0.110 0.000 0.755 735 L CB -0.549 41.425 42.059 -0.142 0.000 0.904 735 L HN 0.269 nan 8.230 nan 0.000 0.435 736 M N -0.693 118.856 119.600 -0.084 0.000 2.159 736 M HA -0.168 4.326 4.480 0.024 0.000 0.263 736 M C 2.436 178.732 176.300 -0.006 0.000 1.063 736 M CA 1.716 56.982 55.300 -0.057 0.000 1.110 736 M CB -0.477 32.096 32.600 -0.045 0.000 1.374 736 M HN 0.318 nan 8.290 nan 0.000 0.411 737 A N 0.130 122.951 122.820 0.001 0.000 2.067 737 A HA 0.083 4.418 4.320 0.024 0.000 0.219 737 A C 2.143 179.768 177.584 0.069 0.000 1.158 737 A CA 1.588 53.647 52.037 0.037 0.000 0.661 737 A CB -0.593 18.422 19.000 0.025 0.000 0.801 737 A HN 0.497 nan 8.150 nan 0.000 0.452 738 A N -2.525 120.316 122.820 0.035 0.000 2.251 738 A HA 0.336 4.671 4.320 0.024 0.000 0.209 738 A C 0.977 178.586 177.584 0.041 0.000 1.187 738 A CA 1.283 53.351 52.037 0.051 0.000 0.823 738 A CB -0.459 18.529 19.000 -0.021 0.000 0.846 738 A HN 0.988 nan 8.150 nan 0.000 0.486 739 H N -1.419 117.592 119.070 -0.098 0.000 4.884 739 H HA -0.200 4.371 4.556 0.024 0.000 0.061 739 H C 0.131 175.247 175.328 -0.353 0.000 0.590 739 H CA 2.389 58.362 56.048 -0.124 0.000 0.961 739 H CB -0.584 29.206 29.762 0.047 0.000 0.443 739 H HN 0.448 nan 8.280 nan 0.000 0.794 740 R N -0.229 119.727 120.500 -0.907 0.000 2.867 740 R HA 0.628 4.982 4.340 0.024 0.000 0.268 740 R C -0.657 174.820 176.300 -1.372 0.000 1.014 740 R CA -0.328 54.994 56.100 -1.296 0.000 0.946 740 R CB 1.719 30.991 30.300 -1.712 0.000 1.208 740 R HN 0.077 nan 8.270 nan 0.000 0.477 741 V N 2.357 121.676 119.914 -0.992 0.000 2.218 741 V HA 0.117 4.252 4.120 0.024 0.000 0.261 741 V C 0.696 176.438 176.094 -0.587 0.000 1.142 741 V CA -0.499 61.393 62.300 -0.680 0.000 0.965 741 V CB -0.165 31.400 31.823 -0.430 0.000 1.190 741 V HN 0.719 nan 8.190 nan 0.000 0.478 742 W N 1.620 122.653 121.300 -0.445 0.000 2.364 742 W HA -0.208 4.467 4.660 0.024 0.000 0.281 742 W C 2.518 178.817 176.519 -0.367 0.000 1.219 742 W CA 0.876 57.861 57.345 -0.601 0.000 1.220 742 W CB -0.412 28.330 29.460 -1.196 0.000 1.127 742 W HN 0.661 nan 8.180 nan 0.000 0.556 743 S N 0.813 116.467 115.700 -0.075 0.000 2.500 743 S HA -0.178 4.306 4.470 0.024 0.000 0.239 743 S C 1.700 176.265 174.600 -0.058 0.000 0.989 743 S CA 1.036 59.209 58.200 -0.045 0.000 0.951 743 S CB -0.437 62.740 63.200 -0.039 0.000 0.759 743 S HN 0.447 nan 8.310 nan 0.000 0.523 744 R N 0.583 121.014 120.500 -0.115 0.000 2.297 744 R HA 0.255 4.610 4.340 0.024 0.000 0.197 744 R C 1.716 177.965 176.300 -0.085 0.000 0.943 744 R CA 0.233 56.252 56.100 -0.137 0.000 1.038 744 R CB -0.389 29.733 30.300 -0.297 0.000 0.957 744 R HN 0.449 nan 8.270 nan 0.000 0.484 745 I N 1.973 122.527 120.570 -0.026 0.000 2.091 745 I HA -0.280 3.905 4.170 0.024 0.000 0.240 745 I C -0.837 175.309 176.117 0.048 0.000 1.046 745 I CA 1.749 63.075 61.300 0.044 0.000 1.306 745 I CB -0.877 37.188 38.000 0.108 0.000 1.018 745 I HN 0.182 nan 8.210 nan 0.000 0.404 746 P HA -0.201 nan 4.420 nan 0.000 0.217 746 P C 1.192 178.522 177.300 0.052 0.000 1.151 746 P CA 1.633 64.763 63.100 0.050 0.000 0.849 746 P CB 0.003 31.728 31.700 0.042 0.000 0.787 747 K N -0.507 119.922 120.400 0.048 0.000 2.305 747 K HA 0.041 4.376 4.320 0.024 0.000 0.199 747 K C 1.906 178.568 176.600 0.104 0.000 1.047 747 K CA 0.680 57.017 56.287 0.083 0.000 0.976 747 K CB -0.901 31.677 32.500 0.131 0.000 0.765 747 K HN 0.304 nan 8.250 nan 0.000 0.474 748 I N -1.537 119.077 120.570 0.072 0.000 3.176 748 I HA -0.074 4.111 4.170 0.024 0.000 0.275 748 I C 0.640 176.805 176.117 0.081 0.000 1.298 748 I CA 1.173 62.522 61.300 0.082 0.000 1.445 748 I CB -0.056 37.960 38.000 0.027 0.000 1.075 748 I HN -0.116 nan 8.210 nan 0.000 0.482 749 D N 2.176 122.622 120.400 0.077 0.000 2.219 749 D HA -0.102 4.553 4.640 0.024 0.000 0.205 749 D C 1.638 177.977 176.300 0.066 0.000 0.970 749 D CA 1.285 55.329 54.000 0.074 0.000 0.851 749 D CB 0.100 40.944 40.800 0.074 0.000 0.943 749 D HN 0.693 nan 8.370 nan 0.000 0.488 750 K N 0.103 120.541 120.400 0.063 0.000 3.073 750 K HA 0.078 4.413 4.320 0.024 0.000 0.232 750 K C 0.534 177.165 176.600 0.051 0.000 1.135 750 K CA -0.698 55.620 56.287 0.051 0.000 1.428 750 K CB 0.064 32.590 32.500 0.044 0.000 1.921 750 K HN -0.156 nan 8.250 nan 0.000 0.546 751 I N 2.506 123.100 120.570 0.039 0.000 6.313 751 I HA -0.097 4.087 4.170 0.024 0.000 0.126 751 I C -2.360 173.778 176.117 0.035 0.000 1.413 751 I CA -0.258 61.060 61.300 0.031 0.000 2.511 751 I CB -0.331 37.704 38.000 0.057 0.000 2.664 751 I HN 0.677 nan 8.210 nan 0.000 0.292 752 P HA 0.462 nan 4.420 nan 0.000 0.256 752 P C -0.530 176.814 177.300 0.074 0.000 1.689 752 P CA -0.023 63.106 63.100 0.049 0.000 1.124 752 P CB 0.688 32.413 31.700 0.043 0.000 1.766 753 A N 0.000 122.861 122.820 0.068 0.000 2.254 753 A HA 0.000 4.335 4.320 0.024 0.000 0.244 753 A CA 0.000 52.096 52.037 0.098 0.000 0.836 753 A CB 0.000 18.937 19.000 -0.105 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486