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 1p81_1_A 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 DTVREIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.284 176.300 -0.026 0.000 2.045 27 D CA 0.000 53.987 54.000 -0.021 0.000 0.868 27 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 28 S N 1.489 117.174 115.700 -0.026 0.000 3.864 28 S HA 0.116 4.586 4.470 -0.000 0.000 0.350 28 S C 0.302 174.878 174.600 -0.040 0.000 0.583 28 S CA 0.885 59.067 58.200 -0.030 0.000 1.690 28 S CB -1.946 61.240 63.200 -0.023 0.000 1.356 28 S HN 0.509 nan 8.310 nan 0.000 0.468 29 L N -0.225 120.965 121.223 -0.054 0.000 2.286 29 L HA 1.013 5.353 4.340 -0.000 0.000 0.265 29 L C 0.424 177.212 176.870 -0.137 0.000 1.012 29 L CA -1.268 53.522 54.840 -0.084 0.000 0.818 29 L CB 0.390 42.404 42.059 -0.075 0.000 1.337 29 L HN 0.424 nan 8.230 nan 0.000 0.438 30 A N 0.532 123.205 122.820 -0.244 0.000 2.547 30 A HA 0.452 4.772 4.320 -0.000 0.000 0.233 30 A C -2.029 175.382 177.584 -0.288 0.000 1.067 30 A CA -0.457 51.287 52.037 -0.488 0.000 0.763 30 A CB -1.202 17.189 19.000 -1.014 0.000 1.007 30 A HN 0.696 nan 8.150 nan 0.000 0.506 31 P HA 0.090 nan 4.420 nan 0.000 0.269 31 P C 0.427 177.685 177.300 -0.070 0.000 1.215 31 P CA -0.056 62.992 63.100 -0.088 0.000 0.780 31 P CB 0.690 32.381 31.700 -0.016 0.000 0.898 32 E N 1.942 122.121 120.200 -0.034 0.000 2.097 32 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 32 E C 1.153 177.761 176.600 0.014 0.000 1.000 32 E CA 2.179 58.571 56.400 -0.014 0.000 0.804 32 E CB -0.603 29.092 29.700 -0.009 0.000 0.740 32 E HN 0.541 nan 8.360 nan 0.000 0.454 33 D N -1.322 119.094 120.400 0.027 0.000 2.371 33 D HA -0.001 4.639 4.640 -0.000 0.000 0.221 33 D C 1.299 177.648 176.300 0.082 0.000 0.986 33 D CA 0.959 54.986 54.000 0.045 0.000 0.899 33 D CB -0.459 40.363 40.800 0.036 0.000 0.902 33 D HN 0.339 nan 8.370 nan 0.000 0.530 34 G N 0.121 109.011 108.800 0.150 0.000 2.143 34 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.248 34 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.248 34 G C 0.912 175.930 174.900 0.198 0.000 0.991 34 G CA 0.781 46.028 45.100 0.246 0.000 0.689 34 G HN 0.731 nan 8.290 nan 0.000 0.522 35 S N -0.357 115.458 115.700 0.192 0.000 2.650 35 S HA 0.136 4.606 4.470 -0.000 0.000 0.219 35 S C 1.595 176.268 174.600 0.122 0.000 0.960 35 S CA 0.957 59.220 58.200 0.105 0.000 0.925 35 S CB -0.578 62.664 63.200 0.070 0.000 0.775 35 S HN 1.015 nan 8.310 nan 0.000 0.525 36 H N 0.414 119.491 119.070 0.011 0.000 2.470 36 H HA 0.316 4.871 4.556 -0.000 0.000 0.289 36 H C 1.108 176.448 175.328 0.019 0.000 1.033 36 H CA 0.078 56.134 56.048 0.013 0.000 1.331 36 H CB -0.013 29.755 29.762 0.011 0.000 1.414 36 H HN 0.333 nan 8.280 nan 0.000 0.545 37 R N 2.018 122.224 120.500 -0.490 0.000 2.387 37 R HA 0.315 4.655 4.340 -0.000 0.000 0.314 37 R C -2.757 173.454 176.300 -0.148 0.000 0.958 37 R CA -2.464 53.424 56.100 -0.354 0.000 0.846 37 R CB 0.923 30.905 30.300 -0.531 0.000 1.147 37 R HN 0.081 nan 8.270 nan 0.000 0.447 38 P HA 0.029 nan 4.420 nan 0.000 0.264 38 P C -0.904 176.388 177.300 -0.013 0.000 1.193 38 P CA -0.051 63.039 63.100 -0.016 0.000 0.763 38 P CB 0.923 32.637 31.700 0.025 0.000 0.810 39 A N 3.443 126.261 122.820 -0.003 0.000 2.498 39 A HA 0.381 4.701 4.320 -0.000 0.000 0.239 39 A C 0.965 178.560 177.584 0.017 0.000 1.068 39 A CA 0.100 52.139 52.037 0.003 0.000 0.766 39 A CB -0.234 18.770 19.000 0.008 0.000 1.003 39 A HN 0.577 nan 8.150 nan 0.000 0.497 40 A N 2.857 125.687 122.820 0.017 0.000 3.077 40 A HA 0.490 4.810 4.320 -0.000 0.000 0.255 40 A C 0.259 177.861 177.584 0.031 0.000 1.728 40 A CA 0.001 52.054 52.037 0.027 0.000 1.383 40 A CB -0.483 18.530 19.000 0.022 0.000 1.097 40 A HN 0.738 nan 8.150 nan 0.000 0.634 41 E N 0.132 120.352 120.200 0.034 0.000 2.412 41 E HA 0.360 4.710 4.350 -0.000 0.000 0.279 41 E C -3.146 173.478 176.600 0.039 0.000 0.984 41 E CA -1.998 54.424 56.400 0.036 0.000 0.788 41 E CB 1.647 31.364 29.700 0.028 0.000 1.277 41 E HN 0.028 nan 8.360 nan 0.000 0.455 42 P HA 0.086 nan 4.420 nan 0.000 0.266 42 P C -0.615 176.697 177.300 0.019 0.000 1.215 42 P CA 0.224 63.341 63.100 0.028 0.000 0.763 42 P CB 0.155 31.861 31.700 0.010 0.000 0.806 43 T N 1.245 115.806 114.554 0.013 0.000 2.906 43 T HA 0.645 4.995 4.350 -0.000 0.000 0.295 43 T C -2.985 171.691 174.700 -0.039 0.000 1.061 43 T CA -2.830 59.272 62.100 0.002 0.000 1.000 43 T CB 1.525 70.399 68.868 0.009 0.000 1.103 43 T HN -0.002 nan 8.240 nan 0.000 0.486 44 P HA 0.344 nan 4.420 nan 0.000 0.272 44 P C -2.692 174.480 177.300 -0.214 0.000 1.230 44 P CA -1.510 61.445 63.100 -0.242 0.000 0.788 44 P CB -0.978 30.648 31.700 -0.123 0.000 0.949 45 P HA 0.009 nan 4.420 nan 0.000 0.262 45 P C 1.095 178.350 177.300 -0.075 0.000 1.182 45 P CA 1.482 64.487 63.100 -0.158 0.000 0.761 45 P CB -0.212 31.387 31.700 -0.167 0.000 0.795 46 G N 2.672 111.456 108.800 -0.025 0.000 2.184 46 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.264 46 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.264 46 G C 1.094 175.993 174.900 -0.003 0.000 0.975 46 G CA 0.449 45.546 45.100 -0.005 0.000 0.642 46 G HN 0.701 nan 8.290 nan 0.000 0.536 47 A N -1.430 121.384 122.820 -0.009 0.000 2.021 47 A HA 0.473 4.793 4.320 -0.000 0.000 0.216 47 A C 1.274 178.862 177.584 0.007 0.000 1.163 47 A CA 1.858 53.895 52.037 -0.000 0.000 0.676 47 A CB 0.079 19.077 19.000 -0.003 0.000 0.818 47 A HN 0.494 nan 8.150 nan 0.000 0.453 48 Q N -1.031 118.776 119.800 0.013 0.000 2.462 48 Q HA 0.403 4.743 4.340 -0.000 0.000 0.285 48 Q C -3.050 172.965 176.000 0.026 0.000 1.035 48 Q CA -1.977 53.837 55.803 0.019 0.000 0.799 48 Q CB 1.109 29.861 28.738 0.024 0.000 1.452 48 Q HN 0.035 nan 8.270 nan 0.000 0.404 49 P HA 0.048 nan 4.420 nan 0.000 0.268 49 P C -0.191 177.139 177.300 0.049 0.000 1.205 49 P CA 0.094 63.207 63.100 0.022 0.000 0.771 49 P CB 0.244 31.953 31.700 0.015 0.000 0.858 50 T N -0.316 114.267 114.554 0.049 0.000 2.813 50 T HA 0.614 4.964 4.350 -0.000 0.000 0.297 50 T C 0.041 174.825 174.700 0.140 0.000 1.036 50 T CA -0.478 61.702 62.100 0.133 0.000 1.044 50 T CB 0.715 69.614 68.868 0.051 0.000 0.993 50 T HN 0.578 nan 8.240 nan 0.000 0.535 51 A N 1.391 124.391 122.820 0.301 0.000 2.602 51 A HA 0.790 5.110 4.320 -0.000 0.000 0.290 51 A C -3.020 174.829 177.584 0.443 0.000 1.114 51 A CA -1.977 50.215 52.037 0.258 0.000 0.683 51 A CB 0.580 19.683 19.000 0.172 0.000 1.281 51 A HN 0.676 nan 8.150 nan 0.000 0.416 52 P HA 0.144 nan 4.420 nan 0.000 0.265 52 P C 1.194 178.643 177.300 0.248 0.000 1.193 52 P CA 0.882 64.199 63.100 0.361 0.000 0.765 52 P CB 0.530 32.366 31.700 0.227 0.000 0.823 53 G N 2.851 111.759 108.800 0.180 0.000 2.513 53 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.219 53 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.219 53 G C 1.593 176.509 174.900 0.027 0.000 1.160 53 G CA 1.284 46.403 45.100 0.031 0.000 0.767 53 G HN 0.603 nan 8.290 nan 0.000 0.571 54 S N 0.076 115.794 115.700 0.030 0.000 2.474 54 S HA 0.109 4.579 4.470 -0.000 0.000 0.235 54 S C 2.195 176.812 174.600 0.028 0.000 0.997 54 S CA 1.032 59.237 58.200 0.008 0.000 0.949 54 S CB -0.187 63.010 63.200 -0.004 0.000 0.766 54 S HN 0.343 nan 8.310 nan 0.000 0.517 55 L N -0.348 120.907 121.223 0.054 0.000 2.298 55 L HA 0.294 4.634 4.340 -0.000 0.000 0.209 55 L C 2.618 179.520 176.870 0.053 0.000 1.084 55 L CA 0.659 55.531 54.840 0.053 0.000 0.816 55 L CB -0.322 41.776 42.059 0.065 0.000 0.967 55 L HN 0.233 nan 8.230 nan 0.000 0.460 56 K N 1.595 122.037 120.400 0.070 0.000 2.116 56 K HA 0.059 4.379 4.320 -0.000 0.000 0.203 56 K C 0.660 177.289 176.600 0.049 0.000 1.052 56 K CA 1.220 57.550 56.287 0.070 0.000 0.952 56 K CB 0.154 32.712 32.500 0.098 0.000 0.729 56 K HN 0.140 nan 8.250 nan 0.000 0.446 57 A N 0.849 123.690 122.820 0.035 0.000 3.266 57 A HA 0.359 4.679 4.320 -0.000 0.000 0.310 57 A C -2.264 175.325 177.584 0.007 0.000 1.066 57 A CA -1.027 51.027 52.037 0.028 0.000 0.839 57 A CB 0.750 19.770 19.000 0.034 0.000 1.192 57 A HN 0.129 nan 8.150 nan 0.000 0.496 58 P HA -0.102 nan 4.420 nan 0.000 0.223 58 P C 0.200 177.493 177.300 -0.012 0.000 1.151 58 P CA 1.137 64.236 63.100 -0.003 0.000 0.787 58 P CB 0.322 32.025 31.700 0.005 0.000 0.788 59 D N -0.901 119.496 120.400 -0.005 0.000 2.348 59 D HA -0.001 4.639 4.640 -0.000 0.000 0.211 59 D C 0.369 176.655 176.300 -0.023 0.000 0.998 59 D CA 0.629 54.623 54.000 -0.010 0.000 0.873 59 D CB -0.504 40.297 40.800 0.002 0.000 0.925 59 D HN 0.127 nan 8.370 nan 0.000 0.524 60 T N 2.139 116.677 114.554 -0.027 0.000 2.752 60 T HA 0.347 4.697 4.350 -0.000 0.000 0.295 60 T C 0.522 175.176 174.700 -0.076 0.000 0.923 60 T CA -0.062 62.007 62.100 -0.051 0.000 1.112 60 T CB 1.008 69.843 68.868 -0.055 0.000 0.884 60 T HN -0.044 nan 8.240 nan 0.000 0.525 61 R N 2.640 123.088 120.500 -0.087 0.000 2.855 61 R HA 0.701 5.041 4.340 -0.000 0.000 0.266 61 R C -0.729 175.508 176.300 -0.104 0.000 1.034 61 R CA -1.086 54.956 56.100 -0.097 0.000 0.944 61 R CB 1.565 31.816 30.300 -0.082 0.000 1.219 61 R HN 0.772 nan 8.270 nan 0.000 0.474 62 N N -1.734 116.907 118.700 -0.098 0.000 3.127 62 N HA -0.010 4.730 4.740 -0.000 0.000 0.239 62 N C -0.215 175.247 175.510 -0.079 0.000 1.407 62 N CA -0.856 52.147 53.050 -0.077 0.000 0.891 62 N CB 0.819 39.288 38.487 -0.030 0.000 1.447 62 N HN 0.637 nan 8.380 nan 0.000 0.507 63 E N -0.210 119.957 120.200 -0.055 0.000 2.118 63 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 63 E C 0.997 177.524 176.600 -0.121 0.000 0.992 63 E CA 1.465 57.827 56.400 -0.064 0.000 0.804 63 E CB 0.106 29.793 29.700 -0.022 0.000 0.741 63 E HN 0.476 nan 8.360 nan 0.000 0.458 64 K N 0.697 120.988 120.400 -0.181 0.000 2.025 64 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 64 K C 2.024 178.456 176.600 -0.281 0.000 1.049 64 K CA 1.186 57.271 56.287 -0.337 0.000 0.933 64 K CB -0.484 31.640 32.500 -0.627 0.000 0.714 64 K HN 0.172 nan 8.250 nan 0.000 0.438 65 L N 0.877 121.949 121.223 -0.251 0.000 2.046 65 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 65 L C 1.877 178.628 176.870 -0.198 0.000 1.077 65 L CA 1.323 55.988 54.840 -0.292 0.000 0.747 65 L CB -0.584 41.298 42.059 -0.294 0.000 0.896 65 L HN 0.252 nan 8.230 nan 0.000 0.432 66 N N -0.295 118.316 118.700 -0.148 0.000 2.120 66 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 66 N C 2.048 177.497 175.510 -0.101 0.000 1.024 66 N CA 1.685 54.670 53.050 -0.107 0.000 0.852 66 N CB -0.481 37.957 38.487 -0.082 0.000 1.003 66 N HN 0.370 nan 8.380 nan 0.000 0.424 67 S N 0.467 116.098 115.700 -0.115 0.000 2.474 67 S HA 0.017 4.487 4.470 -0.000 0.000 0.235 67 S C 1.769 176.308 174.600 -0.102 0.000 0.997 67 S CA 0.419 58.559 58.200 -0.100 0.000 0.949 67 S CB -0.487 62.647 63.200 -0.111 0.000 0.766 67 S HN 0.249 nan 8.310 nan 0.000 0.517 68 L N 0.718 121.866 121.223 -0.126 0.000 2.599 68 L HA 0.202 4.542 4.340 -0.000 0.000 0.230 68 L C 2.531 179.354 176.870 -0.079 0.000 1.141 68 L CA 0.470 55.243 54.840 -0.111 0.000 0.877 68 L CB -0.335 41.639 42.059 -0.143 0.000 1.009 68 L HN 0.273 nan 8.230 nan 0.000 0.447 69 E N 0.900 121.058 120.200 -0.072 0.000 2.204 69 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 69 E C 1.715 178.293 176.600 -0.036 0.000 0.989 69 E CA 1.282 57.653 56.400 -0.049 0.000 0.824 69 E CB -0.002 29.671 29.700 -0.045 0.000 0.756 69 E HN 0.545 nan 8.360 nan 0.000 0.477 70 D N -0.453 119.925 120.400 -0.037 0.000 2.218 70 D HA -0.149 4.491 4.640 -0.000 0.000 0.204 70 D C 1.623 177.909 176.300 -0.024 0.000 0.976 70 D CA 1.618 55.602 54.000 -0.027 0.000 0.853 70 D CB -0.337 40.447 40.800 -0.027 0.000 0.939 70 D HN 0.302 nan 8.370 nan 0.000 0.481 71 V N -3.426 116.472 119.914 -0.027 0.000 3.643 71 V HA 0.306 4.426 4.120 -0.000 0.000 0.280 71 V C 0.877 176.963 176.094 -0.014 0.000 1.351 71 V CA -0.672 61.617 62.300 -0.018 0.000 1.073 71 V CB -0.483 31.329 31.823 -0.017 0.000 0.863 71 V HN -0.152 nan 8.190 nan 0.000 0.436 72 R N 2.058 122.548 120.500 -0.017 0.000 2.537 72 R HA 0.403 4.743 4.340 -0.000 0.000 0.280 72 R C -0.251 176.044 176.300 -0.007 0.000 1.058 72 R CA 0.146 56.243 56.100 -0.006 0.000 1.057 72 R CB 0.609 30.905 30.300 -0.006 0.000 0.973 72 R HN 0.370 nan 8.270 nan 0.000 0.438 73 K N 1.150 121.549 120.400 -0.002 0.000 2.376 73 K HA 0.315 4.635 4.320 -0.000 0.000 0.257 73 K C 0.050 176.653 176.600 0.004 0.000 0.939 73 K CA -0.407 55.864 56.287 -0.025 0.000 0.809 73 K CB 1.767 34.237 32.500 -0.049 0.000 1.121 73 K HN 0.694 nan 8.250 nan 0.000 0.425 74 G N 0.728 109.541 108.800 0.022 0.000 2.514 74 G HA2 0.240 4.200 3.960 -0.000 0.000 0.245 74 G HA3 0.240 4.200 3.960 -0.000 0.000 0.245 74 G C 0.317 175.291 174.900 0.123 0.000 1.488 74 G CA 0.388 45.552 45.100 0.107 0.000 1.063 74 G HN 0.785 nan 8.290 nan 0.000 0.557 75 S N -2.849 113.006 115.700 0.258 0.000 3.294 75 S HA 0.055 4.525 4.470 -0.000 0.000 0.195 75 S C 0.183 174.952 174.600 0.282 0.000 0.943 75 S CA -0.008 58.347 58.200 0.258 0.000 1.266 75 S CB -0.158 63.120 63.200 0.129 0.000 1.152 75 S HN 0.516 nan 8.310 nan 0.000 0.386 76 E N 3.136 123.433 120.200 0.162 0.000 2.465 76 E HA 0.264 4.614 4.350 -0.000 0.000 0.260 76 E C -0.220 176.341 176.600 -0.066 0.000 0.980 76 E CA 0.424 56.858 56.400 0.058 0.000 0.927 76 E CB -0.007 29.713 29.700 0.033 0.000 0.934 76 E HN 0.428 nan 8.360 nan 0.000 0.459 77 N N 0.488 119.140 118.700 -0.079 0.000 2.878 77 N HA -0.204 4.536 4.740 -0.000 0.000 0.247 77 N C -1.225 174.142 175.510 -0.239 0.000 1.021 77 N CA 1.160 54.103 53.050 -0.179 0.000 0.873 77 N CB -1.380 36.941 38.487 -0.277 0.000 1.128 77 N HN 0.396 nan 8.380 nan 0.000 0.571 78 Y N 0.449 120.755 120.300 0.011 0.000 2.487 78 Y HA 0.683 5.233 4.550 -0.000 0.000 0.337 78 Y C 0.839 176.743 175.900 0.007 0.000 1.076 78 Y CA -0.504 57.602 58.100 0.009 0.000 1.115 78 Y CB 1.189 39.654 38.460 0.010 0.000 1.235 78 Y HN 0.116 nan 8.280 nan 0.000 0.468 79 A N 2.094 125.035 122.820 0.202 0.000 2.351 79 A HA 0.432 4.752 4.320 -0.000 0.000 0.257 79 A C -0.871 176.766 177.584 0.087 0.000 1.087 79 A CA -0.473 51.627 52.037 0.106 0.000 0.798 79 A CB 0.140 19.189 19.000 0.082 0.000 1.033 79 A HN 0.696 nan 8.150 nan 0.000 0.488 80 L N 2.348 123.602 121.223 0.051 0.000 2.319 80 L HA 0.570 4.910 4.340 -0.000 0.000 0.280 80 L C 0.566 177.447 176.870 0.019 0.000 1.099 80 L CA 0.969 55.825 54.840 0.028 0.000 0.828 80 L CB 0.557 42.624 42.059 0.013 0.000 1.150 80 L HN 0.943 nan 8.230 nan 0.000 0.442 81 T N 0.379 114.938 114.554 0.009 0.000 2.831 81 T HA 0.691 5.041 4.350 -0.000 0.000 0.287 81 T C 0.212 174.917 174.700 0.009 0.000 1.070 81 T CA -0.138 61.971 62.100 0.014 0.000 1.010 81 T CB 0.972 69.852 68.868 0.019 0.000 1.264 81 T HN 0.789 nan 8.240 nan 0.000 0.532 82 T N -0.085 114.489 114.554 0.034 0.000 2.732 82 T HA 0.292 4.642 4.350 -0.000 0.000 0.287 82 T C 1.008 175.728 174.700 0.034 0.000 0.993 82 T CA -0.619 61.510 62.100 0.048 0.000 0.966 82 T CB 0.007 68.949 68.868 0.122 0.000 1.047 82 T HN 0.549 nan 8.240 nan 0.000 0.527 83 N N 0.391 119.114 118.700 0.038 0.000 2.453 83 N HA -0.063 4.677 4.740 -0.000 0.000 0.183 83 N C 1.582 177.115 175.510 0.037 0.000 1.041 83 N CA 0.601 53.667 53.050 0.027 0.000 0.900 83 N CB -0.180 38.333 38.487 0.044 0.000 0.961 83 N HN 0.555 nan 8.380 nan 0.000 0.443 84 Q N -0.451 119.383 119.800 0.057 0.000 2.403 84 Q HA 0.183 4.523 4.340 -0.000 0.000 0.203 84 Q C 0.743 176.766 176.000 0.039 0.000 0.932 84 Q CA 0.216 56.047 55.803 0.046 0.000 0.945 84 Q CB 0.387 29.155 28.738 0.050 0.000 1.045 84 Q HN 0.399 nan 8.270 nan 0.000 0.511 85 G N 0.466 109.289 108.800 0.038 0.000 2.132 85 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.234 85 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.234 85 G C 0.053 174.980 174.900 0.046 0.000 0.989 85 G CA 0.105 45.222 45.100 0.029 0.000 0.676 85 G HN 0.222 nan 8.290 nan 0.000 0.522 86 V N 1.548 121.505 119.914 0.072 0.000 2.432 86 V HA 0.372 4.492 4.120 -0.000 0.000 0.275 86 V C 1.329 177.465 176.094 0.069 0.000 1.043 86 V CA -0.634 61.720 62.300 0.090 0.000 0.925 86 V CB 1.128 33.050 31.823 0.164 0.000 0.985 86 V HN 0.417 nan 8.190 nan 0.000 0.466 87 R N 4.283 124.816 120.500 0.055 0.000 2.570 87 R HA 0.291 4.631 4.340 -0.000 0.000 0.277 87 R C -0.499 175.818 176.300 0.028 0.000 1.039 87 R CA 0.089 56.212 56.100 0.039 0.000 1.065 87 R CB 0.388 30.710 30.300 0.037 0.000 0.964 87 R HN 0.573 nan 8.270 nan 0.000 0.428 88 I N 2.042 122.617 120.570 0.008 0.000 2.353 88 I HA 0.137 4.307 4.170 -0.000 0.000 0.293 88 I C 0.923 177.032 176.117 -0.014 0.000 0.992 88 I CA 0.006 61.295 61.300 -0.019 0.000 1.268 88 I CB 1.902 39.880 38.000 -0.037 0.000 1.387 88 I HN 0.765 nan 8.210 nan 0.000 0.478 89 A N 3.917 126.725 122.820 -0.021 0.000 1.924 89 A HA 0.032 4.352 4.320 -0.000 0.000 0.211 89 A C 0.645 178.215 177.584 -0.023 0.000 1.198 89 A CA 0.863 52.890 52.037 -0.015 0.000 0.657 89 A CB 0.078 19.071 19.000 -0.011 0.000 0.852 89 A HN 0.678 nan 8.150 nan 0.000 0.454 90 D N -0.491 119.887 120.400 -0.037 0.000 2.421 90 D HA 0.317 4.956 4.640 -0.000 0.000 0.254 90 D C -1.291 174.978 176.300 -0.051 0.000 1.238 90 D CA -0.360 53.617 54.000 -0.039 0.000 0.919 90 D CB 1.111 41.888 40.800 -0.038 0.000 1.152 90 D HN 0.064 nan 8.370 nan 0.000 0.552 91 D N 1.930 122.303 120.400 -0.045 0.000 2.370 91 D HA 0.044 4.684 4.640 -0.000 0.000 0.230 91 D C 0.587 176.857 176.300 -0.051 0.000 1.143 91 D CA 0.304 54.273 54.000 -0.052 0.000 0.834 91 D CB 0.477 41.251 40.800 -0.043 0.000 0.944 91 D HN 0.223 nan 8.370 nan 0.000 0.504 92 Q N -0.577 119.194 119.800 -0.047 0.000 2.217 92 Q HA 0.275 4.615 4.340 -0.000 0.000 0.217 92 Q C -0.224 175.747 176.000 -0.048 0.000 0.844 92 Q CA 0.107 55.882 55.803 -0.046 0.000 0.957 92 Q CB 0.832 29.548 28.738 -0.037 0.000 1.127 92 Q HN 0.196 nan 8.270 nan 0.000 0.503 93 N N -0.039 118.630 118.700 -0.052 0.000 2.331 93 N HA 0.292 5.032 4.740 -0.000 0.000 0.280 93 N C -1.015 174.461 175.510 -0.058 0.000 1.155 93 N CA -0.257 52.764 53.050 -0.049 0.000 0.822 93 N CB 2.061 40.524 38.487 -0.041 0.000 1.619 93 N HN -0.181 nan 8.380 nan 0.000 0.476 94 S N 0.705 116.373 115.700 -0.052 0.000 2.603 94 S HA 0.292 4.762 4.470 -0.000 0.000 0.268 94 S C 0.167 174.740 174.600 -0.045 0.000 1.317 94 S CA -0.574 57.595 58.200 -0.052 0.000 1.012 94 S CB 0.760 63.935 63.200 -0.041 0.000 0.926 94 S HN 0.402 nan 8.310 nan 0.000 0.539 95 L N 3.265 124.460 121.223 -0.046 0.000 2.313 95 L HA 0.402 4.742 4.340 -0.000 0.000 0.282 95 L C 0.104 176.964 176.870 -0.017 0.000 1.092 95 L CA 0.358 55.179 54.840 -0.031 0.000 0.831 95 L CB -0.124 41.918 42.059 -0.029 0.000 1.159 95 L HN 0.727 nan 8.230 nan 0.000 0.442 96 R N 4.218 124.710 120.500 -0.013 0.000 2.808 96 R HA 0.866 5.206 4.340 -0.000 0.000 0.272 96 R C -1.141 175.157 176.300 -0.003 0.000 0.995 96 R CA -0.873 55.222 56.100 -0.007 0.000 0.917 96 R CB 1.187 31.480 30.300 -0.010 0.000 1.217 96 R HN 0.579 nan 8.270 nan 0.000 0.471 97 A N 1.379 124.199 122.820 -0.000 0.000 2.666 97 A HA 0.596 4.916 4.320 -0.000 0.000 0.312 97 A C 0.581 178.165 177.584 -0.001 0.000 1.471 97 A CA 0.262 52.300 52.037 0.001 0.000 1.134 97 A CB -0.813 18.190 19.000 0.004 0.000 1.129 97 A HN 1.233 nan 8.150 nan 0.000 0.539 98 G N 1.117 109.916 108.800 -0.002 0.000 2.692 98 G HA2 0.047 4.007 3.960 -0.000 0.000 0.686 98 G HA3 0.047 4.007 3.960 -0.000 0.000 0.686 98 G C 0.701 175.597 174.900 -0.006 0.000 1.243 98 G CA 0.160 45.258 45.100 -0.003 0.000 0.782 98 G HN 1.844 nan 8.290 nan 0.000 0.625 99 S N -0.301 115.395 115.700 -0.007 0.000 2.507 99 S HA 0.001 4.471 4.470 -0.000 0.000 0.235 99 S C 1.550 176.144 174.600 -0.010 0.000 0.988 99 S CA 1.449 59.643 58.200 -0.009 0.000 0.944 99 S CB 0.051 63.246 63.200 -0.010 0.000 0.762 99 S HN 0.749 nan 8.310 nan 0.000 0.526 100 R N 0.735 121.230 120.500 -0.008 0.000 2.613 100 R HA 0.340 4.680 4.340 -0.000 0.000 0.361 100 R C 0.852 177.148 176.300 -0.006 0.000 1.072 100 R CA 0.065 56.161 56.100 -0.008 0.000 1.089 100 R CB 0.857 31.153 30.300 -0.007 0.000 1.343 100 R HN 0.442 nan 8.270 nan 0.000 0.571 101 G N 1.640 110.436 108.800 -0.006 0.000 2.557 101 G HA2 0.406 4.366 3.960 -0.000 0.000 0.302 101 G HA3 0.406 4.366 3.960 -0.000 0.000 0.302 101 G C -2.435 172.463 174.900 -0.004 0.000 1.311 101 G CA -1.108 43.990 45.100 -0.004 0.000 1.030 101 G HN -0.113 nan 8.290 nan 0.000 0.509 102 P HA 0.238 nan 4.420 nan 0.000 0.274 102 P C -0.183 177.116 177.300 -0.001 0.000 1.231 102 P CA -0.105 62.995 63.100 -0.001 0.000 0.790 102 P CB 0.818 32.519 31.700 0.002 0.000 0.951 103 T N 2.524 117.077 114.554 -0.002 0.000 2.919 103 T HA 0.258 4.608 4.350 -0.000 0.000 0.302 103 T C 0.501 175.204 174.700 0.004 0.000 1.031 103 T CA -0.169 61.929 62.100 -0.003 0.000 1.127 103 T CB 0.001 68.866 68.868 -0.006 0.000 0.952 103 T HN 0.179 nan 8.240 nan 0.000 0.540 104 L N 3.500 124.727 121.223 0.007 0.000 2.334 104 L HA 0.295 4.635 4.340 -0.000 0.000 0.277 104 L C 1.401 178.287 176.870 0.026 0.000 1.075 104 L CA -0.757 54.093 54.840 0.017 0.000 0.804 104 L CB 0.760 42.831 42.059 0.020 0.000 1.174 104 L HN 0.512 nan 8.230 nan 0.000 0.438 105 L N 2.297 123.539 121.223 0.032 0.000 2.275 105 L HA -0.170 4.170 4.340 -0.000 0.000 0.215 105 L C 2.296 179.205 176.870 0.065 0.000 1.119 105 L CA 1.542 56.408 54.840 0.043 0.000 0.790 105 L CB -0.591 41.492 42.059 0.039 0.000 0.919 105 L HN 0.788 nan 8.230 nan 0.000 0.443 106 E N -1.599 118.644 120.200 0.072 0.000 2.516 106 E HA -0.174 4.176 4.350 -0.000 0.000 0.199 106 E C 0.225 176.923 176.600 0.163 0.000 1.069 106 E CA 0.207 56.677 56.400 0.117 0.000 0.876 106 E CB -0.467 29.293 29.700 0.100 0.000 0.843 106 E HN 0.350 nan 8.360 nan 0.000 0.530 107 D N 1.195 121.644 120.400 0.081 0.000 2.441 107 D HA -0.052 4.588 4.640 -0.000 0.000 0.243 107 D C 0.397 176.710 176.300 0.022 0.000 1.257 107 D CA -0.411 53.590 54.000 0.002 0.000 1.027 107 D CB -0.098 40.678 40.800 -0.040 0.000 1.084 107 D HN 0.314 nan 8.370 nan 0.000 0.514 108 F N 2.193 122.152 119.950 0.015 0.000 2.456 108 F HA 0.107 4.634 4.527 -0.000 0.000 0.298 108 F C 1.605 177.417 175.800 0.021 0.000 1.104 108 F CA 0.041 58.053 58.000 0.020 0.000 1.435 108 F CB -0.567 38.444 39.000 0.018 0.000 1.078 108 F HN 0.186 nan 8.300 nan 0.000 0.546 109 I N 0.395 120.590 120.570 -0.626 0.000 2.193 109 I HA -0.202 3.968 4.170 -0.000 0.000 0.240 109 I C 2.490 178.508 176.117 -0.165 0.000 1.084 109 I CA 1.054 62.099 61.300 -0.426 0.000 1.365 109 I CB -0.546 37.134 38.000 -0.533 0.000 1.064 109 I HN 0.267 nan 8.210 nan 0.000 0.410 110 L N 1.174 122.310 121.223 -0.145 0.000 1.989 110 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 110 L C 2.640 179.502 176.870 -0.012 0.000 1.071 110 L CA 1.921 56.720 54.840 -0.070 0.000 0.749 110 L CB -0.596 41.426 42.059 -0.061 0.000 0.890 110 L HN 0.063 nan 8.230 nan 0.000 0.431 111 R N -0.706 119.807 120.500 0.021 0.000 2.115 111 R HA -0.166 4.174 4.340 -0.000 0.000 0.230 111 R C 2.292 178.651 176.300 0.098 0.000 1.111 111 R CA 1.444 57.585 56.100 0.068 0.000 0.976 111 R CB -0.339 30.015 30.300 0.091 0.000 0.870 111 R HN 0.601 nan 8.270 nan 0.000 0.445 112 E N 1.222 121.484 120.200 0.104 0.000 2.047 112 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 112 E C 1.933 178.612 176.600 0.132 0.000 0.987 112 E CA 1.125 57.604 56.400 0.132 0.000 0.799 112 E CB 0.118 29.901 29.700 0.139 0.000 0.752 112 E HN 0.130 nan 8.360 nan 0.000 0.449 113 K N 0.330 120.777 120.400 0.077 0.000 2.032 113 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 113 K C 2.110 178.782 176.600 0.120 0.000 1.048 113 K CA 1.507 57.836 56.287 0.071 0.000 0.927 113 K CB -0.054 32.446 32.500 0.001 0.000 0.712 113 K HN 0.165 nan 8.250 nan 0.000 0.441 114 I N 1.185 121.810 120.570 0.091 0.000 2.353 114 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 114 I C 2.141 178.372 176.117 0.190 0.000 1.119 114 I CA 1.252 62.628 61.300 0.127 0.000 1.417 114 I CB -1.432 36.605 38.000 0.061 0.000 1.078 114 I HN 0.233 nan 8.210 nan 0.000 0.421 115 T N -0.211 114.447 114.554 0.173 0.000 2.684 115 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 115 T C 1.965 176.811 174.700 0.243 0.000 1.036 115 T CA 1.468 63.693 62.100 0.209 0.000 1.148 115 T CB -0.425 68.571 68.868 0.213 0.000 0.863 115 T HN 0.342 nan 8.240 nan 0.000 0.436 116 H N -0.122 119.045 119.070 0.163 0.000 2.353 116 H HA -0.059 4.497 4.556 -0.000 0.000 0.300 116 H C 2.188 177.582 175.328 0.111 0.000 1.090 116 H CA 1.525 57.654 56.048 0.136 0.000 1.327 116 H CB -0.442 29.380 29.762 0.099 0.000 1.383 116 H HN 0.388 nan 8.280 nan 0.000 0.508 117 F N 2.049 122.068 119.950 0.115 0.000 2.126 117 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 117 F C 1.955 177.707 175.800 -0.080 0.000 1.096 117 F CA 1.719 59.732 58.000 0.021 0.000 1.255 117 F CB -0.286 38.718 39.000 0.006 0.000 0.997 117 F HN 0.072 nan 8.300 nan 0.000 0.479 118 D N -1.195 119.111 120.400 -0.155 0.000 2.263 118 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 118 D C 1.168 177.059 176.300 -0.682 0.000 0.971 118 D CA 1.245 54.989 54.000 -0.426 0.000 0.867 118 D CB -0.360 40.187 40.800 -0.421 0.000 0.929 118 D HN 0.478 nan 8.370 nan 0.000 0.492 119 H N -0.247 118.713 119.070 -0.183 0.000 2.467 119 H HA 0.234 4.790 4.556 -0.000 0.000 0.275 119 H C 0.966 176.141 175.328 -0.256 0.000 1.131 119 H CA -0.112 55.822 56.048 -0.191 0.000 0.989 119 H CB 0.473 30.139 29.762 -0.160 0.000 1.696 119 H HN 0.261 nan 8.280 nan 0.000 0.574 120 E N 0.758 120.804 120.200 -0.256 0.000 2.106 120 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 120 E C 0.522 176.981 176.600 -0.234 0.000 0.984 120 E CA 0.606 56.834 56.400 -0.287 0.000 0.806 120 E CB 0.419 29.922 29.700 -0.328 0.000 0.750 120 E HN 0.190 nan 8.360 nan 0.000 0.458 121 R N 1.356 121.770 120.500 -0.144 0.000 2.441 121 R HA 0.314 4.654 4.340 -0.000 0.000 0.284 121 R C 0.443 176.780 176.300 0.062 0.000 1.070 121 R CA -0.157 55.928 56.100 -0.024 0.000 1.047 121 R CB 0.554 30.831 30.300 -0.039 0.000 1.016 121 R HN 0.183 nan 8.270 nan 0.000 0.477 122 I N -0.864 119.802 120.570 0.160 0.000 2.797 122 I HA 0.560 4.730 4.170 -0.000 0.000 0.307 122 I C -2.232 173.946 176.117 0.101 0.000 1.033 122 I CA -3.000 58.384 61.300 0.141 0.000 1.071 122 I CB 1.743 39.858 38.000 0.191 0.000 1.255 122 I HN 0.239 nan 8.210 nan 0.000 0.445 123 P HA 0.077 nan 4.420 nan 0.000 0.265 123 P C -0.856 176.474 177.300 0.049 0.000 1.193 123 P CA -0.002 63.124 63.100 0.044 0.000 0.765 123 P CB 0.401 32.117 31.700 0.025 0.000 0.823 124 E N 2.784 123.016 120.200 0.053 0.000 2.369 124 E HA 0.235 4.585 4.350 -0.000 0.000 0.255 124 E C -0.402 176.225 176.600 0.046 0.000 1.172 124 E CA -0.904 55.533 56.400 0.062 0.000 0.932 124 E CB 0.640 30.382 29.700 0.071 0.000 1.040 124 E HN 0.254 nan 8.360 nan 0.000 0.454 125 R N 0.480 121.013 120.500 0.055 0.000 2.698 125 R HA -0.018 4.322 4.340 -0.000 0.000 0.266 125 R C 1.287 177.622 176.300 0.058 0.000 1.026 125 R CA -0.420 55.710 56.100 0.050 0.000 1.102 125 R CB 0.240 30.590 30.300 0.082 0.000 0.978 125 R HN 0.560 nan 8.270 nan 0.000 0.436 126 I N 1.709 122.307 120.570 0.048 0.000 2.208 126 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 126 I C 1.188 177.357 176.117 0.087 0.000 1.097 126 I CA 1.512 62.849 61.300 0.061 0.000 1.363 126 I CB -1.046 36.993 38.000 0.066 0.000 1.051 126 I HN 0.396 nan 8.210 nan 0.000 0.413 127 V N -3.262 116.737 119.914 0.141 0.000 3.040 127 V HA 0.518 4.638 4.120 -0.000 0.000 0.312 127 V C 0.337 176.596 176.094 0.276 0.000 1.115 127 V CA -0.864 61.547 62.300 0.184 0.000 0.998 127 V CB 1.802 33.812 31.823 0.312 0.000 1.042 127 V HN 0.445 nan 8.190 nan 0.000 0.433 128 H N 0.470 119.605 119.070 0.109 0.000 2.862 128 H HA -0.216 4.340 4.556 -0.000 0.000 0.290 128 H C 1.509 176.885 175.328 0.081 0.000 1.211 128 H CA 0.781 56.886 56.048 0.095 0.000 1.140 128 H CB -1.232 28.574 29.762 0.074 0.000 1.341 128 H HN 1.155 nan 8.280 nan 0.000 0.392 129 A N 0.753 123.664 122.820 0.151 0.000 2.015 129 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 129 A C 1.669 179.343 177.584 0.150 0.000 1.163 129 A CA 1.212 53.327 52.037 0.131 0.000 0.646 129 A CB -0.054 19.003 19.000 0.094 0.000 0.806 129 A HN 0.267 nan 8.150 nan 0.000 0.448 130 R N 0.148 120.737 120.500 0.148 0.000 2.202 130 R HA 0.519 4.859 4.340 -0.000 0.000 0.334 130 R C -0.120 176.306 176.300 0.210 0.000 1.036 130 R CA 0.723 56.928 56.100 0.176 0.000 0.878 130 R CB 0.331 30.720 30.300 0.148 0.000 1.067 130 R HN 0.309 nan 8.270 nan 0.000 0.457 131 G N 0.759 109.708 108.800 0.249 0.000 2.646 131 G HA2 0.500 4.460 3.960 -0.000 0.000 0.291 131 G HA3 0.500 4.460 3.960 -0.000 0.000 0.291 131 G C -1.616 173.446 174.900 0.270 0.000 1.445 131 G CA -0.609 44.611 45.100 0.199 0.000 0.814 131 G HN 0.482 nan 8.290 nan 0.000 0.495 132 S N -0.971 114.836 115.700 0.178 0.000 2.557 132 S HA 0.864 5.334 4.470 -0.000 0.000 0.291 132 S C -0.125 174.487 174.600 0.020 0.000 1.116 132 S CA -0.116 58.237 58.200 0.255 0.000 0.992 132 S CB 1.636 65.104 63.200 0.446 0.000 1.028 132 S HN 1.501 nan 8.310 nan 0.000 0.484 133 A N 1.826 124.615 122.820 -0.051 0.000 2.469 133 A HA 1.037 5.357 4.320 -0.000 0.000 0.299 133 A C -0.819 176.587 177.584 -0.296 0.000 1.098 133 A CA -0.719 51.086 52.037 -0.387 0.000 0.737 133 A CB 1.623 20.234 19.000 -0.648 0.000 1.312 133 A HN 1.273 nan 8.150 nan 0.000 0.414 134 A N 0.380 122.880 122.820 -0.532 0.000 2.609 134 A HA 0.730 5.050 4.320 -0.000 0.000 0.291 134 A C -1.079 176.347 177.584 -0.264 0.000 1.096 134 A CA -0.654 51.232 52.037 -0.253 0.000 0.684 134 A CB 0.755 19.687 19.000 -0.114 0.000 1.282 134 A HN 0.881 nan 8.150 nan 0.000 0.412 135 H N -0.434 118.671 119.070 0.059 0.000 2.488 135 H HA 0.693 5.249 4.556 -0.000 0.000 0.347 135 H C 0.587 175.921 175.328 0.010 0.000 1.174 135 H CA 0.781 56.913 56.048 0.139 0.000 1.307 135 H CB 1.848 31.688 29.762 0.130 0.000 1.517 135 H HN 1.144 nan 8.280 nan 0.000 0.554 136 G N 0.468 109.368 108.800 0.167 0.000 2.500 136 G HA2 0.362 4.322 3.960 -0.000 0.000 0.299 136 G HA3 0.362 4.322 3.960 -0.000 0.000 0.299 136 G C -2.072 172.955 174.900 0.210 0.000 1.242 136 G CA -0.661 44.493 45.100 0.090 0.000 0.859 136 G HN 0.628 nan 8.290 nan 0.000 0.481 137 Y N -1.813 118.526 120.300 0.065 0.000 2.597 137 Y HA 0.841 5.391 4.550 -0.000 0.000 0.340 137 Y C -1.717 174.319 175.900 0.227 0.000 1.097 137 Y CA -1.942 56.239 58.100 0.135 0.000 1.037 137 Y CB 1.887 40.398 38.460 0.085 0.000 1.305 137 Y HN 0.837 nan 8.280 nan 0.000 0.463 138 F N 2.725 122.820 119.950 0.242 0.000 2.588 138 F HA 0.687 5.214 4.527 -0.000 0.000 0.314 138 F C -1.420 174.569 175.800 0.315 0.000 1.069 138 F CA -0.552 57.595 58.000 0.245 0.000 0.931 138 F CB 2.304 41.568 39.000 0.440 0.000 1.260 138 F HN 0.816 nan 8.300 nan 0.000 0.465 139 Q N 6.138 125.313 119.800 -1.042 0.000 2.327 139 Q HA 0.501 4.840 4.340 -0.000 0.000 0.265 139 Q C -3.340 172.030 176.000 -1.049 0.000 0.993 139 Q CA -2.116 53.262 55.803 -0.708 0.000 0.885 139 Q CB 2.924 31.573 28.738 -0.148 0.000 1.379 139 Q HN 0.351 nan 8.270 nan 0.000 0.408 140 P HA 0.038 nan 4.420 nan 0.000 0.274 140 P C -0.401 176.760 177.300 -0.231 0.000 1.231 140 P CA -0.049 62.812 63.100 -0.399 0.000 0.790 140 P CB 0.679 32.310 31.700 -0.116 0.000 0.951 141 Y N 0.976 121.215 120.300 -0.101 0.000 2.286 141 Y HA -0.068 4.482 4.550 -0.000 0.000 0.293 141 Y C 1.488 177.360 175.900 -0.048 0.000 1.124 141 Y CA 0.562 58.623 58.100 -0.064 0.000 1.178 141 Y CB 0.205 38.636 38.460 -0.049 0.000 1.010 141 Y HN 0.377 nan 8.280 nan 0.000 0.536 142 K N -1.228 119.232 120.400 0.100 0.000 2.522 142 K HA 0.417 4.737 4.320 -0.000 0.000 0.275 142 K C -0.921 175.682 176.600 0.004 0.000 1.006 142 K CA -0.981 55.334 56.287 0.045 0.000 0.890 142 K CB 1.544 34.071 32.500 0.046 0.000 1.475 142 K HN -0.277 nan 8.250 nan 0.000 0.441 143 S N 0.695 116.395 115.700 -0.001 0.000 2.533 143 S HA 0.154 4.624 4.470 -0.000 0.000 0.282 143 S C 0.315 174.901 174.600 -0.023 0.000 1.304 143 S CA -0.651 57.539 58.200 -0.017 0.000 1.063 143 S CB -0.208 62.986 63.200 -0.010 0.000 0.881 143 S HN 0.541 nan 8.310 nan 0.000 0.493 144 L N 4.924 126.122 121.223 -0.043 0.000 2.912 144 L HA 0.152 4.492 4.340 -0.000 0.000 0.240 144 L C 1.848 178.699 176.870 -0.031 0.000 1.262 144 L CA -0.168 54.654 54.840 -0.030 0.000 1.058 144 L CB -0.212 41.830 42.059 -0.029 0.000 1.383 144 L HN 0.828 nan 8.230 nan 0.000 0.512 145 S N -2.214 113.467 115.700 -0.031 0.000 2.447 145 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 145 S C 1.238 175.821 174.600 -0.029 0.000 1.006 145 S CA 0.758 58.939 58.200 -0.033 0.000 0.957 145 S CB -0.077 63.108 63.200 -0.025 0.000 0.773 145 S HN 0.390 nan 8.310 nan 0.000 0.507 146 D N 2.104 122.492 120.400 -0.020 0.000 2.224 146 D HA 0.038 4.678 4.640 -0.000 0.000 0.205 146 D C 1.796 178.080 176.300 -0.027 0.000 0.965 146 D CA 1.254 55.242 54.000 -0.019 0.000 0.852 146 D CB -0.143 40.651 40.800 -0.010 0.000 0.947 146 D HN 0.781 nan 8.370 nan 0.000 0.494 147 I N -3.965 116.590 120.570 -0.025 0.000 4.323 147 I HA 0.226 4.396 4.170 -0.000 0.000 0.328 147 I C 0.424 176.503 176.117 -0.063 0.000 1.310 147 I CA 0.010 61.288 61.300 -0.037 0.000 1.186 147 I CB 1.152 39.150 38.000 -0.004 0.000 1.130 147 I HN -0.260 nan 8.210 nan 0.000 0.411 148 T N 1.550 116.068 114.554 -0.059 0.000 2.956 148 T HA 0.335 4.685 4.350 -0.000 0.000 0.312 148 T C -0.057 174.592 174.700 -0.085 0.000 1.151 148 T CA -0.690 61.357 62.100 -0.088 0.000 1.024 148 T CB 1.838 70.647 68.868 -0.098 0.000 1.140 148 T HN 0.421 nan 8.240 nan 0.000 0.473 149 K N 2.273 122.621 120.400 -0.087 0.000 2.387 149 K HA 0.578 4.898 4.320 -0.000 0.000 0.198 149 K C 0.747 177.309 176.600 -0.063 0.000 1.022 149 K CA -0.356 55.891 56.287 -0.066 0.000 1.128 149 K CB 0.299 32.765 32.500 -0.056 0.000 0.853 149 K HN 0.502 nan 8.250 nan 0.000 0.523 150 A N 2.209 124.970 122.820 -0.098 0.000 2.548 150 A HA -0.074 4.246 4.320 -0.000 0.000 0.247 150 A C 0.580 178.126 177.584 -0.064 0.000 1.067 150 A CA 0.180 52.170 52.037 -0.079 0.000 0.757 150 A CB 0.042 18.940 19.000 -0.170 0.000 0.996 150 A HN 0.456 nan 8.150 nan 0.000 0.504 151 D N 2.031 122.464 120.400 0.056 0.000 2.144 151 D HA -0.225 4.415 4.640 -0.000 0.000 0.199 151 D C 1.352 177.721 176.300 0.114 0.000 0.984 151 D CA 2.253 56.301 54.000 0.080 0.000 0.834 151 D CB -0.238 40.632 40.800 0.117 0.000 0.955 151 D HN 0.738 nan 8.370 nan 0.000 0.465 152 F N -0.737 119.233 119.950 0.034 0.000 2.546 152 F HA 0.158 4.685 4.527 -0.000 0.000 0.298 152 F C 1.050 176.942 175.800 0.154 0.000 1.120 152 F CA 0.381 58.445 58.000 0.106 0.000 1.456 152 F CB -0.214 38.846 39.000 0.099 0.000 1.088 152 F HN -0.061 nan 8.300 nan 0.000 0.572 153 L N 0.728 121.613 121.223 -0.563 0.000 2.857 153 L HA 0.203 4.543 4.340 -0.000 0.000 0.249 153 L C 1.909 178.677 176.870 -0.169 0.000 1.172 153 L CA 0.339 54.932 54.840 -0.411 0.000 0.980 153 L CB -0.034 41.662 42.059 -0.606 0.000 1.299 153 L HN 0.309 nan 8.230 nan 0.000 0.535 154 S N -2.347 113.298 115.700 -0.092 0.000 2.501 154 S HA 0.038 4.508 4.470 -0.000 0.000 0.220 154 S C 0.429 175.022 174.600 -0.013 0.000 0.997 154 S CA -0.035 58.139 58.200 -0.043 0.000 0.919 154 S CB 0.169 63.359 63.200 -0.017 0.000 0.778 154 S HN 0.346 nan 8.310 nan 0.000 0.523 155 D N 0.673 121.075 120.400 0.004 0.000 2.966 155 D HA 0.330 4.970 4.640 -0.000 0.000 0.222 155 D C -2.511 173.800 176.300 0.018 0.000 1.292 155 D CA -1.879 52.130 54.000 0.016 0.000 0.907 155 D CB 2.182 43.000 40.800 0.029 0.000 1.621 155 D HN -0.157 nan 8.370 nan 0.000 0.557 156 P HA -0.046 nan 4.420 nan 0.000 0.222 156 P C 0.376 177.688 177.300 0.021 0.000 1.147 156 P CA 0.703 63.811 63.100 0.013 0.000 0.790 156 P CB 0.462 32.182 31.700 0.033 0.000 0.780 157 N N -0.529 118.188 118.700 0.029 0.000 2.214 157 N HA 0.068 4.808 4.740 -0.000 0.000 0.214 157 N C 0.250 175.786 175.510 0.042 0.000 1.132 157 N CA 0.098 53.168 53.050 0.032 0.000 0.856 157 N CB 0.608 39.110 38.487 0.026 0.000 1.020 157 N HN 0.235 nan 8.380 nan 0.000 0.509 158 K N 1.417 121.852 120.400 0.058 0.000 2.281 158 K HA 0.413 4.733 4.320 -0.000 0.000 0.272 158 K C -0.354 176.326 176.600 0.133 0.000 1.048 158 K CA -0.285 56.055 56.287 0.088 0.000 0.898 158 K CB 1.206 33.762 32.500 0.093 0.000 1.128 158 K HN -0.051 nan 8.250 nan 0.000 0.460 159 I N 2.476 123.128 120.570 0.136 0.000 2.440 159 I HA 0.202 4.372 4.170 -0.000 0.000 0.294 159 I C 0.008 176.288 176.117 0.273 0.000 0.995 159 I CA -0.459 60.960 61.300 0.199 0.000 1.306 159 I CB 1.944 40.015 38.000 0.118 0.000 1.407 159 I HN 0.480 nan 8.210 nan 0.000 0.501 160 T N 6.297 121.097 114.554 0.410 0.000 2.809 160 T HA 0.350 4.700 4.350 -0.000 0.000 0.284 160 T C -2.513 172.445 174.700 0.430 0.000 0.992 160 T CA -1.353 61.012 62.100 0.442 0.000 0.957 160 T CB 1.742 70.980 68.868 0.617 0.000 0.942 160 T HN 0.265 nan 8.240 nan 0.000 0.439 161 P HA 0.278 nan 4.420 nan 0.000 0.269 161 P C -0.630 176.907 177.300 0.395 0.000 1.209 161 P CA -0.416 62.872 63.100 0.313 0.000 0.776 161 P CB 0.526 32.325 31.700 0.165 0.000 0.876 162 V N -0.439 119.659 119.914 0.306 0.000 3.078 162 V HA 0.754 4.874 4.120 -0.000 0.000 0.311 162 V C -1.384 174.886 176.094 0.294 0.000 1.138 162 V CA -0.966 61.428 62.300 0.156 0.000 1.007 162 V CB 2.280 33.982 31.823 -0.202 0.000 1.045 162 V HN 0.345 nan 8.190 nan 0.000 0.432 163 F N 2.008 121.954 119.950 -0.007 0.000 2.562 163 F HA 0.840 5.367 4.527 -0.000 0.000 0.319 163 F C -1.006 174.705 175.800 -0.148 0.000 1.154 163 F CA -0.750 57.188 58.000 -0.104 0.000 0.931 163 F CB 1.964 40.925 39.000 -0.065 0.000 1.198 163 F HN 0.528 nan 8.300 nan 0.000 0.444 164 V N 6.773 126.223 119.914 -0.774 0.000 2.495 164 V HA 0.574 4.694 4.120 -0.000 0.000 0.298 164 V C -0.642 174.795 176.094 -1.094 0.000 1.031 164 V CA -0.792 60.994 62.300 -0.856 0.000 0.871 164 V CB 1.922 33.194 31.823 -0.917 0.000 0.988 164 V HN 0.748 nan 8.190 nan 0.000 0.432 165 R N 3.688 123.538 120.500 -1.083 0.000 2.480 165 R HA 0.616 4.956 4.340 -0.000 0.000 0.306 165 R C -1.649 174.045 176.300 -1.010 0.000 0.958 165 R CA -0.443 55.109 56.100 -0.914 0.000 0.861 165 R CB 1.192 31.141 30.300 -0.584 0.000 1.171 165 R HN 0.547 nan 8.270 nan 0.000 0.445 166 F N 2.075 121.614 119.950 -0.684 0.000 2.425 166 F HA 0.507 5.034 4.527 -0.000 0.000 0.331 166 F C 0.514 175.971 175.800 -0.571 0.000 1.085 166 F CA -0.188 57.288 58.000 -0.873 0.000 1.028 166 F CB 2.113 40.090 39.000 -1.704 0.000 1.177 166 F HN 0.604 nan 8.300 nan 0.000 0.487 167 S N -0.837 114.797 115.700 -0.109 0.000 2.688 167 S HA 0.710 5.179 4.470 -0.000 0.000 0.275 167 S C -0.565 174.176 174.600 0.234 0.000 1.175 167 S CA -0.808 57.466 58.200 0.124 0.000 0.818 167 S CB 1.487 64.809 63.200 0.202 0.000 1.157 167 S HN 0.681 nan 8.310 nan 0.000 0.482 168 T N -1.778 112.902 114.554 0.211 0.000 2.902 168 T HA 0.725 5.075 4.350 -0.000 0.000 0.287 168 T C 0.746 175.412 174.700 -0.056 0.000 1.048 168 T CA -0.146 62.042 62.100 0.147 0.000 0.941 168 T CB 0.387 69.347 68.868 0.153 0.000 1.432 168 T HN 0.594 nan 8.240 nan 0.000 0.586 169 V N -0.162 119.680 119.914 -0.120 0.000 2.948 169 V HA 0.141 4.260 4.120 -0.000 0.000 0.234 169 V C 2.710 178.730 176.094 -0.124 0.000 1.205 169 V CA 0.293 62.397 62.300 -0.326 0.000 1.234 169 V CB -0.332 31.390 31.823 -0.167 0.000 1.020 169 V HN 0.853 nan 8.190 nan 0.000 0.491 170 Q N 1.124 120.888 119.800 -0.060 0.000 2.062 170 Q HA 0.072 4.412 4.340 -0.000 0.000 0.196 170 Q C 1.305 177.285 176.000 -0.033 0.000 0.967 170 Q CA 1.296 57.065 55.803 -0.057 0.000 0.832 170 Q CB -0.226 28.465 28.738 -0.079 0.000 0.899 170 Q HN 0.590 nan 8.270 nan 0.000 0.442 171 G N -0.016 108.777 108.800 -0.011 0.000 2.636 171 G HA2 0.343 4.303 3.960 -0.000 0.000 0.246 171 G HA3 0.343 4.303 3.960 -0.000 0.000 0.246 171 G C 0.178 175.088 174.900 0.016 0.000 1.216 171 G CA 0.085 45.184 45.100 -0.002 0.000 0.854 171 G HN 0.336 nan 8.290 nan 0.000 0.572 172 G N -1.051 107.754 108.800 0.008 0.000 2.651 172 G HA2 0.475 4.435 3.960 -0.000 0.000 0.260 172 G HA3 0.475 4.435 3.960 -0.000 0.000 0.260 172 G C 1.319 176.250 174.900 0.050 0.000 1.216 172 G CA 0.422 45.537 45.100 0.024 0.000 0.913 172 G HN 1.097 nan 8.290 nan 0.000 0.535 173 A N -0.569 122.291 122.820 0.068 0.000 2.070 173 A HA 0.135 4.454 4.320 -0.000 0.000 0.220 173 A C 2.196 179.818 177.584 0.063 0.000 1.159 173 A CA 1.888 53.984 52.037 0.098 0.000 0.656 173 A CB -0.325 18.751 19.000 0.127 0.000 0.800 173 A HN 1.116 nan 8.150 nan 0.000 0.453 174 G N -0.089 108.729 108.800 0.031 0.000 3.371 174 G HA2 0.344 4.304 3.960 -0.000 0.000 0.248 174 G HA3 0.344 4.304 3.960 -0.000 0.000 0.248 174 G C 0.648 175.550 174.900 0.004 0.000 1.161 174 G CA 0.622 45.725 45.100 0.006 0.000 0.796 174 G HN 0.627 nan 8.290 nan 0.000 0.539 175 S N -0.285 115.426 115.700 0.019 0.000 2.686 175 S HA 0.766 5.236 4.470 -0.000 0.000 0.270 175 S C 0.465 175.079 174.600 0.024 0.000 1.194 175 S CA -0.170 58.037 58.200 0.012 0.000 0.990 175 S CB 1.550 64.758 63.200 0.013 0.000 1.029 175 S HN 0.522 nan 8.310 nan 0.000 0.560 176 A N 0.073 122.904 122.820 0.017 0.000 2.322 176 A HA 0.429 4.749 4.320 -0.000 0.000 0.269 176 A C 0.561 178.171 177.584 0.044 0.000 1.094 176 A CA -0.541 51.504 52.037 0.014 0.000 0.807 176 A CB -0.132 18.860 19.000 -0.014 0.000 1.047 176 A HN 0.845 nan 8.150 nan 0.000 0.487 177 D N 0.358 120.775 120.400 0.029 0.000 2.120 177 D HA -0.056 4.584 4.640 -0.000 0.000 0.202 177 D C 1.576 177.876 176.300 0.000 0.000 0.972 177 D CA 2.238 56.273 54.000 0.057 0.000 0.837 177 D CB -0.245 40.541 40.800 -0.023 0.000 0.989 177 D HN 0.671 nan 8.370 nan 0.000 0.469 178 T N 0.002 114.472 114.554 -0.140 0.000 3.418 178 T HA 0.301 4.651 4.350 -0.000 0.000 0.239 178 T C 0.803 175.505 174.700 0.004 0.000 0.905 178 T CA -0.585 61.429 62.100 -0.144 0.000 0.929 178 T CB -0.987 67.707 68.868 -0.290 0.000 1.121 178 T HN -0.076 nan 8.240 nan 0.000 0.608 179 V N -1.296 118.672 119.914 0.090 0.000 3.385 179 V HA 0.484 4.604 4.120 -0.000 0.000 0.301 179 V C 0.647 176.889 176.094 0.248 0.000 1.082 179 V CA -1.475 60.926 62.300 0.168 0.000 1.085 179 V CB 0.576 32.479 31.823 0.133 0.000 1.152 179 V HN 0.566 nan 8.190 nan 0.000 0.465 180 R N 1.252 121.932 120.500 0.300 0.000 2.196 180 R HA 0.578 4.918 4.340 -0.000 0.000 0.340 180 R C -0.342 176.033 176.300 0.124 0.000 1.043 180 R CA -0.084 56.142 56.100 0.210 0.000 0.883 180 R CB 0.319 30.651 30.300 0.053 0.000 1.078 180 R HN 1.038 nan 8.270 nan 0.000 0.462 181 E N 3.671 123.962 120.200 0.152 0.000 2.403 181 E HA 0.151 4.501 4.350 -0.000 0.000 0.280 181 E C -0.714 176.002 176.600 0.194 0.000 1.101 181 E CA -0.877 55.609 56.400 0.144 0.000 0.856 181 E CB 1.122 30.898 29.700 0.126 0.000 1.303 181 E HN 0.376 nan 8.360 nan 0.000 0.441 182 I N 1.833 122.537 120.570 0.223 0.000 2.892 182 I HA 0.132 4.302 4.170 -0.000 0.000 0.287 182 I C 0.478 176.737 176.117 0.235 0.000 1.205 182 I CA 0.280 61.715 61.300 0.224 0.000 1.409 182 I CB -0.284 37.875 38.000 0.264 0.000 1.367 182 I HN 0.378 nan 8.210 nan 0.000 0.597 183 R N 2.740 123.396 120.500 0.258 0.000 2.711 183 R HA 0.574 4.914 4.340 -0.000 0.000 0.284 183 R C -0.061 176.425 176.300 0.309 0.000 0.968 183 R CA -0.770 55.498 56.100 0.280 0.000 0.924 183 R CB 1.587 32.069 30.300 0.304 0.000 1.162 183 R HN 0.812 nan 8.270 nan 0.000 0.465 184 G N 0.752 109.753 108.800 0.334 0.000 2.448 184 G HA2 0.473 4.433 3.960 -0.000 0.000 0.285 184 G HA3 0.473 4.433 3.960 -0.000 0.000 0.285 184 G C -1.275 173.705 174.900 0.133 0.000 1.176 184 G CA -0.035 45.237 45.100 0.288 0.000 0.852 184 G HN 0.344 nan 8.290 nan 0.000 0.530 185 F N 1.652 121.505 119.950 -0.162 0.000 3.090 185 F HA 0.636 5.163 4.527 -0.000 0.000 0.381 185 F C -0.250 175.255 175.800 -0.491 0.000 1.231 185 F CA -1.819 55.983 58.000 -0.330 0.000 1.177 185 F CB 0.972 39.891 39.000 -0.135 0.000 1.598 185 F HN 0.669 nan 8.300 nan 0.000 0.589 186 A N 3.317 125.873 122.820 -0.441 0.000 2.318 186 A HA 0.810 5.130 4.320 -0.000 0.000 0.324 186 A C -0.627 176.513 177.584 -0.740 0.000 1.170 186 A CA -0.458 51.159 52.037 -0.700 0.000 0.810 186 A CB 0.941 19.205 19.000 -1.226 0.000 1.198 186 A HN 0.530 nan 8.150 nan 0.000 0.484 187 T N 2.157 116.442 114.554 -0.448 0.000 2.812 187 T HA 0.416 4.766 4.350 -0.000 0.000 0.282 187 T C -0.401 174.131 174.700 -0.279 0.000 0.990 187 T CA -0.504 61.352 62.100 -0.407 0.000 0.960 187 T CB 1.180 69.755 68.868 -0.489 0.000 0.948 187 T HN 0.623 nan 8.240 nan 0.000 0.438 188 K N 3.403 123.702 120.400 -0.169 0.000 2.281 188 K HA 0.447 4.767 4.320 -0.000 0.000 0.272 188 K C -1.276 174.996 176.600 -0.546 0.000 1.048 188 K CA -0.607 55.489 56.287 -0.318 0.000 0.898 188 K CB 0.349 32.604 32.500 -0.408 0.000 1.128 188 K HN 0.397 nan 8.250 nan 0.000 0.460 189 F N 4.111 123.783 119.950 -0.462 0.000 2.411 189 F HA 0.227 4.754 4.527 -0.000 0.000 0.355 189 F C -0.315 175.288 175.800 -0.328 0.000 1.117 189 F CA -0.522 57.275 58.000 -0.339 0.000 1.139 189 F CB 0.640 39.352 39.000 -0.480 0.000 1.120 189 F HN 0.436 nan 8.300 nan 0.000 0.493 190 Y N 1.844 122.203 120.300 0.099 0.000 2.714 190 Y HA 0.216 4.766 4.550 -0.000 0.000 0.333 190 Y C 1.031 176.991 175.900 0.101 0.000 1.220 190 Y CA -0.859 57.281 58.100 0.068 0.000 1.513 190 Y CB -0.209 38.279 38.460 0.047 0.000 1.435 190 Y HN 0.557 nan 8.280 nan 0.000 0.489 191 T N -2.529 112.125 114.554 0.165 0.000 2.847 191 T HA 0.155 4.505 4.350 -0.000 0.000 0.279 191 T C 1.031 175.826 174.700 0.159 0.000 0.984 191 T CA -0.679 61.526 62.100 0.176 0.000 0.988 191 T CB 1.050 69.999 68.868 0.134 0.000 1.040 191 T HN 0.640 nan 8.240 nan 0.000 0.528 192 E N 0.038 120.336 120.200 0.164 0.000 2.418 192 E HA -0.051 4.299 4.350 -0.000 0.000 0.197 192 E C 1.107 177.773 176.600 0.111 0.000 1.026 192 E CA 0.737 57.214 56.400 0.129 0.000 0.862 192 E CB 0.112 29.884 29.700 0.119 0.000 0.799 192 E HN 0.733 nan 8.360 nan 0.000 0.518 193 E N 0.161 120.429 120.200 0.114 0.000 2.624 193 E HA 0.253 4.603 4.350 -0.000 0.000 0.210 193 E C 0.137 176.787 176.600 0.083 0.000 0.997 193 E CA -0.209 56.250 56.400 0.099 0.000 0.999 193 E CB 1.297 31.059 29.700 0.104 0.000 1.040 193 E HN 0.176 nan 8.360 nan 0.000 0.469 194 G N 1.177 110.021 108.800 0.072 0.000 2.362 194 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.656 194 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.656 194 G C -0.883 174.024 174.900 0.012 0.000 1.376 194 G CA -1.115 44.004 45.100 0.031 0.000 0.971 194 G HN 0.012 nan 8.290 nan 0.000 0.636 195 I N 0.691 121.231 120.570 -0.051 0.000 2.556 195 I HA 0.370 4.540 4.170 -0.000 0.000 0.284 195 I C 0.068 176.188 176.117 0.005 0.000 1.114 195 I CA 0.046 61.289 61.300 -0.096 0.000 1.418 195 I CB 0.826 38.697 38.000 -0.216 0.000 1.394 195 I HN 0.461 nan 8.210 nan 0.000 0.552 196 F N 6.577 126.420 119.950 -0.180 0.000 2.427 196 F HA 0.449 4.975 4.527 -0.000 0.000 0.348 196 F C -0.641 175.117 175.800 -0.069 0.000 1.125 196 F CA -1.299 56.587 58.000 -0.190 0.000 0.989 196 F CB 0.767 39.477 39.000 -0.484 0.000 1.165 196 F HN 0.343 nan 8.300 nan 0.000 0.442 197 D N 6.838 127.045 120.400 -0.321 0.000 2.303 197 D HA 0.263 4.902 4.640 -0.000 0.000 0.236 197 D C -0.686 175.143 176.300 -0.786 0.000 1.068 197 D CA -0.020 53.726 54.000 -0.423 0.000 0.830 197 D CB 2.437 43.188 40.800 -0.082 0.000 1.109 197 D HN 0.632 nan 8.370 nan 0.000 0.496 198 L N 3.163 123.893 121.223 -0.823 0.000 2.272 198 L HA 0.300 4.640 4.340 -0.000 0.000 0.284 198 L C -1.030 175.624 176.870 -0.359 0.000 1.045 198 L CA -0.633 53.801 54.840 -0.676 0.000 0.842 198 L CB 0.726 42.407 42.059 -0.630 0.000 1.224 198 L HN 0.055 nan 8.230 nan 0.000 0.430 199 V N 5.439 125.182 119.914 -0.285 0.000 2.259 199 V HA 0.538 4.658 4.120 -0.000 0.000 0.267 199 V C 0.735 176.734 176.094 -0.160 0.000 1.051 199 V CA -0.299 61.844 62.300 -0.262 0.000 0.830 199 V CB 0.524 32.157 31.823 -0.315 0.000 1.080 199 V HN 0.835 nan 8.190 nan 0.000 0.467 200 G N 3.203 111.924 108.800 -0.132 0.000 3.175 200 G HA2 0.679 4.639 3.960 -0.000 0.000 0.255 200 G HA3 0.679 4.639 3.960 -0.000 0.000 0.255 200 G C -0.961 173.959 174.900 0.032 0.000 1.352 200 G CA -0.584 44.490 45.100 -0.043 0.000 1.037 200 G HN 0.469 nan 8.290 nan 0.000 0.556 201 N N -1.023 117.741 118.700 0.107 0.000 2.761 201 N HA 0.248 4.988 4.740 -0.000 0.000 0.283 201 N C 0.207 175.885 175.510 0.279 0.000 1.377 201 N CA -0.710 52.461 53.050 0.201 0.000 0.791 201 N CB 1.370 39.968 38.487 0.186 0.000 1.540 201 N HN 0.520 nan 8.380 nan 0.000 0.539 202 N N -1.238 117.643 118.700 0.301 0.000 2.314 202 N HA 0.004 4.744 4.740 -0.000 0.000 0.200 202 N C -0.592 175.155 175.510 0.395 0.000 1.135 202 N CA -0.074 53.204 53.050 0.379 0.000 0.835 202 N CB -0.151 38.541 38.487 0.342 0.000 0.989 202 N HN 0.542 nan 8.380 nan 0.000 0.478 203 T N -3.645 110.969 114.554 0.101 0.000 2.906 203 T HA 0.440 4.790 4.350 -0.000 0.000 0.295 203 T C -2.622 171.482 174.700 -0.992 0.000 1.061 203 T CA -1.570 60.162 62.100 -0.613 0.000 1.000 203 T CB 2.934 71.320 68.868 -0.803 0.000 1.103 203 T HN -0.252 nan 8.240 nan 0.000 0.486 204 P HA 0.181 nan 4.420 nan 0.000 0.245 204 P C 0.379 177.163 177.300 -0.861 0.000 1.212 204 P CA 0.134 62.328 63.100 -1.510 0.000 0.774 204 P CB -0.093 30.663 31.700 -1.574 0.000 0.999 205 I N -4.635 115.410 120.570 -0.875 0.000 3.074 205 I HA 0.525 4.695 4.170 -0.000 0.000 0.310 205 I C -1.291 174.553 176.117 -0.454 0.000 1.153 205 I CA -1.984 58.951 61.300 -0.608 0.000 0.993 205 I CB 1.505 39.113 38.000 -0.653 0.000 1.237 205 I HN -0.250 nan 8.210 nan 0.000 0.443 206 F N 1.025 120.701 119.950 -0.455 0.000 2.518 206 F HA 0.498 5.025 4.527 -0.000 0.000 0.338 206 F C 0.461 176.034 175.800 -0.379 0.000 1.065 206 F CA -0.732 57.039 58.000 -0.380 0.000 1.012 206 F CB 1.751 40.648 39.000 -0.173 0.000 1.297 206 F HN 0.400 nan 8.300 nan 0.000 0.489 207 F N 2.023 121.245 119.950 -1.213 0.000 2.259 207 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 207 F C 0.663 176.179 175.800 -0.473 0.000 1.088 207 F CA 0.693 58.163 58.000 -0.884 0.000 1.358 207 F CB -0.144 37.975 39.000 -1.468 0.000 1.040 207 F HN 0.123 nan 8.300 nan 0.000 0.505 208 I N -3.299 117.238 120.570 -0.055 0.000 3.002 208 I HA 0.385 4.555 4.170 -0.000 0.000 0.310 208 I C 0.386 176.639 176.117 0.228 0.000 1.087 208 I CA -0.836 60.540 61.300 0.128 0.000 1.017 208 I CB 1.890 40.017 38.000 0.212 0.000 1.226 208 I HN -0.154 nan 8.210 nan 0.000 0.443 209 Q N 0.262 120.199 119.800 0.228 0.000 2.324 209 Q HA 0.145 4.485 4.340 -0.000 0.000 0.207 209 Q C -0.250 175.912 176.000 0.270 0.000 0.928 209 Q CA 0.564 56.540 55.803 0.287 0.000 0.890 209 Q CB 0.496 29.465 28.738 0.385 0.000 1.001 209 Q HN 0.656 nan 8.270 nan 0.000 0.517 210 D N -1.038 119.494 120.400 0.220 0.000 2.362 210 D HA 0.308 4.948 4.640 -0.000 0.000 0.247 210 D C 0.047 176.468 176.300 0.202 0.000 1.050 210 D CA -0.188 53.916 54.000 0.173 0.000 0.839 210 D CB 1.873 42.750 40.800 0.129 0.000 1.283 210 D HN 0.066 nan 8.370 nan 0.000 0.477 211 A N 3.329 126.242 122.820 0.154 0.000 2.024 211 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 211 A C 1.790 179.491 177.584 0.196 0.000 1.164 211 A CA 1.648 53.774 52.037 0.148 0.000 0.643 211 A CB -0.755 18.280 19.000 0.059 0.000 0.806 211 A HN 0.813 nan 8.150 nan 0.000 0.451 212 H N 0.023 119.151 119.070 0.097 0.000 2.457 212 H HA -0.016 4.540 4.556 -0.000 0.000 0.297 212 H C 1.594 176.996 175.328 0.123 0.000 1.092 212 H CA 1.867 57.965 56.048 0.082 0.000 1.309 212 H CB 0.050 29.837 29.762 0.042 0.000 1.382 212 H HN 0.412 nan 8.280 nan 0.000 0.535 213 K N -0.634 119.885 120.400 0.199 0.000 2.444 213 K HA -0.041 4.279 4.320 -0.000 0.000 0.193 213 K C 1.411 178.137 176.600 0.209 0.000 1.024 213 K CA 0.010 56.411 56.287 0.191 0.000 1.077 213 K CB 0.046 32.712 32.500 0.277 0.000 0.833 213 K HN 0.283 nan 8.250 nan 0.000 0.517 214 F N 3.027 123.026 119.950 0.081 0.000 2.065 214 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 214 F C -0.990 174.818 175.800 0.014 0.000 1.112 214 F CA 1.581 59.651 58.000 0.118 0.000 1.212 214 F CB -0.567 38.496 39.000 0.105 0.000 0.975 214 F HN 0.023 nan 8.300 nan 0.000 0.476 215 P HA -0.150 nan 4.420 nan 0.000 0.218 215 P C 0.976 177.955 177.300 -0.535 0.000 1.148 215 P CA 1.831 64.681 63.100 -0.416 0.000 0.822 215 P CB -0.090 31.383 31.700 -0.378 0.000 0.784 216 D N -1.400 118.834 120.400 -0.276 0.000 2.097 216 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 216 D C 1.806 177.843 176.300 -0.439 0.000 0.984 216 D CA 0.970 54.853 54.000 -0.194 0.000 0.826 216 D CB -0.838 40.020 40.800 0.097 0.000 0.973 216 D HN 0.153 nan 8.370 nan 0.000 0.460 217 F N 1.829 121.369 119.950 -0.682 0.000 2.102 217 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 217 F C 2.233 177.641 175.800 -0.653 0.000 1.105 217 F CA 1.172 58.565 58.000 -1.012 0.000 1.239 217 F CB -0.169 38.445 39.000 -0.644 0.000 0.991 217 F HN -0.245 nan 8.300 nan 0.000 0.474 218 V N 0.254 119.750 119.914 -0.698 0.000 2.358 218 V HA -0.328 3.792 4.120 -0.000 0.000 0.246 218 V C 2.275 178.146 176.094 -0.372 0.000 1.047 218 V CA 2.408 64.330 62.300 -0.629 0.000 1.035 218 V CB -1.089 30.379 31.823 -0.592 0.000 0.658 218 V HN 0.472 nan 8.190 nan 0.000 0.452 219 H N -0.141 118.699 119.070 -0.382 0.000 2.387 219 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 219 H C 2.336 177.521 175.328 -0.238 0.000 1.090 219 H CA 1.062 56.967 56.048 -0.238 0.000 1.332 219 H CB 0.035 29.706 29.762 -0.153 0.000 1.386 219 H HN 0.484 nan 8.280 nan 0.000 0.516 220 A N 0.419 123.085 122.820 -0.256 0.000 1.972 220 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 220 A C 2.472 179.899 177.584 -0.261 0.000 1.169 220 A CA 1.374 53.248 52.037 -0.272 0.000 0.635 220 A CB -0.584 18.139 19.000 -0.461 0.000 0.810 220 A HN 0.308 nan 8.150 nan 0.000 0.446 221 V N -0.438 119.205 119.914 -0.451 0.000 2.878 221 V HA 0.033 4.153 4.120 -0.000 0.000 0.250 221 V C 0.860 176.936 176.094 -0.031 0.000 1.075 221 V CA 0.604 62.733 62.300 -0.285 0.000 1.096 221 V CB -0.430 31.042 31.823 -0.586 0.000 0.724 221 V HN 0.327 nan 8.190 nan 0.000 0.467 222 K N 1.244 121.587 120.400 -0.096 0.000 2.187 222 K HA 0.217 4.537 4.320 -0.000 0.000 0.247 222 K C -2.314 174.256 176.600 -0.050 0.000 1.019 222 K CA -1.568 54.676 56.287 -0.072 0.000 0.893 222 K CB -0.385 32.062 32.500 -0.089 0.000 1.025 222 K HN 0.168 nan 8.250 nan 0.000 0.500 223 P HA -0.009 nan 4.420 nan 0.000 0.265 223 P C -0.559 176.700 177.300 -0.068 0.000 1.193 223 P CA 0.360 63.340 63.100 -0.198 0.000 0.765 223 P CB 0.307 31.893 31.700 -0.190 0.000 0.823 224 E N 5.256 125.469 120.200 0.022 0.000 2.413 224 E HA -0.024 4.326 4.350 -0.000 0.000 0.263 224 E C -1.206 175.481 176.600 0.145 0.000 1.015 224 E CA -1.232 55.281 56.400 0.187 0.000 0.916 224 E CB 0.074 30.013 29.700 0.398 0.000 0.947 224 E HN 0.427 nan 8.360 nan 0.000 0.440 225 P HA -0.217 nan 4.420 nan 0.000 0.221 225 P C 1.041 178.416 177.300 0.124 0.000 1.150 225 P CA 1.452 64.597 63.100 0.076 0.000 0.800 225 P CB 0.010 31.726 31.700 0.027 0.000 0.787 226 H N -0.782 118.319 119.070 0.051 0.000 2.326 226 H HA -0.084 4.472 4.556 -0.000 0.000 0.301 226 H C 1.478 176.903 175.328 0.161 0.000 1.081 226 H CA 1.483 57.552 56.048 0.034 0.000 1.334 226 H CB -1.358 28.352 29.762 -0.087 0.000 1.385 226 H HN 0.306 nan 8.280 nan 0.000 0.504 227 W N -0.074 120.847 121.300 -0.633 0.000 2.870 227 W HA 0.705 5.365 4.660 -0.000 0.000 0.358 227 W C 0.443 176.798 176.519 -0.274 0.000 1.043 227 W CA -1.196 55.913 57.345 -0.394 0.000 1.692 227 W CB -0.780 28.416 29.460 -0.441 0.000 1.100 227 W HN 0.449 nan 8.180 nan 0.000 0.557 228 A N 1.307 124.115 122.820 -0.019 0.000 2.667 228 A HA -0.144 4.176 4.320 -0.000 0.000 0.298 228 A C -0.417 176.956 177.584 -0.351 0.000 1.483 228 A CA 1.440 53.389 52.037 -0.146 0.000 0.738 228 A CB -2.388 16.549 19.000 -0.106 0.000 1.067 228 A HN 0.475 nan 8.150 nan 0.000 0.451 229 I N 0.491 120.718 120.570 -0.571 0.000 2.686 229 I HA 0.545 4.715 4.170 -0.000 0.000 0.295 229 I C -2.468 173.352 176.117 -0.494 0.000 1.114 229 I CA -2.349 58.507 61.300 -0.739 0.000 1.038 229 I CB 3.001 40.062 38.000 -1.564 0.000 1.238 229 I HN 0.221 nan 8.210 nan 0.000 0.420 230 P HA 0.317 nan 4.420 nan 0.000 0.289 230 P C -1.586 175.550 177.300 -0.273 0.000 1.293 230 P CA -0.837 62.042 63.100 -0.369 0.000 0.897 230 P CB 1.598 33.152 31.700 -0.243 0.000 1.166 231 Q N 0.566 120.252 119.800 -0.188 0.000 2.267 231 Q HA 0.487 4.827 4.340 -0.000 0.000 0.255 231 Q C 1.031 176.991 176.000 -0.066 0.000 0.923 231 Q CA 0.889 56.618 55.803 -0.123 0.000 0.925 231 Q CB -0.292 28.385 28.738 -0.102 0.000 1.195 231 Q HN 0.815 nan 8.270 nan 0.000 0.417 232 G N 3.290 112.060 108.800 -0.049 0.000 2.249 232 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.273 232 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.273 232 G C -0.436 174.473 174.900 0.015 0.000 1.036 232 G CA 0.595 45.691 45.100 -0.008 0.000 0.824 232 G HN 0.545 nan 8.290 nan 0.000 0.504 233 Q N -1.118 118.679 119.800 -0.006 0.000 2.315 233 Q HA 0.534 4.874 4.340 -0.000 0.000 0.273 233 Q C 0.734 176.747 176.000 0.023 0.000 1.053 233 Q CA -0.121 55.706 55.803 0.039 0.000 0.817 233 Q CB 1.776 30.576 28.738 0.104 0.000 1.326 233 Q HN 0.441 nan 8.270 nan 0.000 0.423 234 S N -0.502 115.111 115.700 -0.145 0.000 2.575 234 S HA 0.201 4.671 4.470 -0.000 0.000 0.215 234 S C 0.873 175.426 174.600 -0.079 0.000 0.966 234 S CA -0.038 57.833 58.200 -0.547 0.000 0.911 234 S CB 0.339 62.662 63.200 -1.462 0.000 0.780 234 S HN 0.588 nan 8.310 nan 0.000 0.514 235 A N 2.409 125.376 122.820 0.244 0.000 3.037 235 A HA 0.522 4.842 4.320 -0.000 0.000 0.272 235 A C 0.091 177.924 177.584 0.415 0.000 1.723 235 A CA -0.555 51.709 52.037 0.378 0.000 1.413 235 A CB -1.248 17.915 19.000 0.271 0.000 1.112 235 A HN 0.893 nan 8.150 nan 0.000 0.606 236 H N -3.409 115.868 119.070 0.346 0.000 3.037 236 H HA 0.445 5.001 4.556 -0.000 0.000 0.336 236 H C -0.296 175.228 175.328 0.328 0.000 1.323 236 H CA -0.725 55.481 56.048 0.264 0.000 1.159 236 H CB 0.201 30.078 29.762 0.193 0.000 1.882 236 H HN 0.087 nan 8.280 nan 0.000 0.535 237 D N 0.480 121.054 120.400 0.289 0.000 2.106 237 D HA -0.229 4.411 4.640 -0.000 0.000 0.191 237 D C 2.135 178.496 176.300 0.102 0.000 0.997 237 D CA 3.288 57.393 54.000 0.175 0.000 0.834 237 D CB -0.352 40.524 40.800 0.127 0.000 0.956 237 D HN 0.798 nan 8.370 nan 0.000 0.448 238 T N -1.598 113.007 114.554 0.084 0.000 2.788 238 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 238 T C 1.904 176.540 174.700 -0.108 0.000 1.044 238 T CA 0.793 62.906 62.100 0.022 0.000 1.139 238 T CB -0.755 68.174 68.868 0.100 0.000 0.867 238 T HN 0.173 nan 8.240 nan 0.000 0.454 239 F N 0.831 120.471 119.950 -0.515 0.000 2.075 239 F HA 0.057 4.584 4.527 -0.000 0.000 0.297 239 F C 1.867 177.407 175.800 -0.435 0.000 1.113 239 F CA 0.870 58.507 58.000 -0.606 0.000 1.218 239 F CB -0.570 37.894 39.000 -0.894 0.000 0.984 239 F HN 0.152 nan 8.300 nan 0.000 0.472 240 W N 0.548 121.805 121.300 -0.072 0.000 2.467 240 W HA -0.086 4.574 4.660 -0.000 0.000 0.275 240 W C 2.264 178.717 176.519 -0.109 0.000 1.239 240 W CA 1.006 58.298 57.345 -0.088 0.000 1.266 240 W CB -0.610 28.877 29.460 0.044 0.000 1.112 240 W HN 0.083 nan 8.180 nan 0.000 0.576 241 D N -0.669 119.774 120.400 0.071 0.000 2.084 241 D HA -0.286 4.354 4.640 -0.000 0.000 0.194 241 D C 1.897 178.197 176.300 0.001 0.000 0.990 241 D CA 1.462 55.488 54.000 0.043 0.000 0.826 241 D CB -0.552 40.279 40.800 0.053 0.000 0.971 241 D HN 0.177 nan 8.370 nan 0.000 0.453 242 Y N 0.453 120.645 120.300 -0.179 0.000 2.097 242 Y HA -0.224 4.326 4.550 -0.000 0.000 0.282 242 Y C 2.300 178.064 175.900 -0.227 0.000 1.152 242 Y CA 1.644 59.624 58.100 -0.199 0.000 1.136 242 Y CB -0.454 37.849 38.460 -0.261 0.000 0.975 242 Y HN -0.106 nan 8.280 nan 0.000 0.498 243 V N 0.146 119.940 119.914 -0.200 0.000 2.332 243 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 243 V C 2.591 178.626 176.094 -0.098 0.000 1.055 243 V CA 2.233 64.407 62.300 -0.211 0.000 1.038 243 V CB -1.191 30.391 31.823 -0.401 0.000 0.651 243 V HN 0.679 nan 8.190 nan 0.000 0.450 244 S N -0.253 115.432 115.700 -0.025 0.000 2.423 244 S HA -0.069 4.401 4.470 -0.000 0.000 0.231 244 S C 1.745 176.309 174.600 -0.060 0.000 1.014 244 S CA 1.361 59.569 58.200 0.013 0.000 0.965 244 S CB -0.448 62.791 63.200 0.066 0.000 0.785 244 S HN 0.560 nan 8.310 nan 0.000 0.495 245 L N 0.028 121.169 121.223 -0.136 0.000 2.567 245 L HA 0.295 4.635 4.340 -0.000 0.000 0.225 245 L C 0.612 177.311 176.870 -0.284 0.000 1.119 245 L CA 0.209 54.942 54.840 -0.179 0.000 0.871 245 L CB -0.012 41.944 42.059 -0.171 0.000 1.036 245 L HN 0.271 nan 8.230 nan 0.000 0.459 246 Q N 0.209 119.794 119.800 -0.358 0.000 3.244 246 Q HA 0.224 4.564 4.340 -0.000 0.000 0.249 246 Q C -1.909 173.865 176.000 -0.377 0.000 0.951 246 Q CA -1.469 54.078 55.803 -0.427 0.000 0.740 246 Q CB 1.394 29.768 28.738 -0.607 0.000 1.334 246 Q HN 0.005 nan 8.270 nan 0.000 0.448 247 P HA -0.242 nan 4.420 nan 0.000 0.222 247 P C 1.051 178.029 177.300 -0.537 0.000 1.142 247 P CA 1.229 64.064 63.100 -0.441 0.000 0.788 247 P CB 0.223 31.646 31.700 -0.462 0.000 0.767 248 E N 0.616 120.376 120.200 -0.733 0.000 2.209 248 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 248 E C 1.488 178.046 176.600 -0.070 0.000 0.993 248 E CA 1.920 58.167 56.400 -0.256 0.000 0.819 248 E CB -1.315 28.310 29.700 -0.125 0.000 0.745 248 E HN 0.307 nan 8.360 nan 0.000 0.477 249 T N -0.642 113.869 114.554 -0.072 0.000 3.035 249 T HA 0.012 4.362 4.350 -0.000 0.000 0.268 249 T C 1.965 176.726 174.700 0.102 0.000 1.109 249 T CA 0.499 62.618 62.100 0.031 0.000 1.119 249 T CB -0.339 68.564 68.868 0.058 0.000 0.900 249 T HN 0.152 nan 8.240 nan 0.000 0.503 250 L N 0.137 121.427 121.223 0.111 0.000 2.079 250 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 250 L C 2.858 179.894 176.870 0.277 0.000 1.081 250 L CA 1.908 56.885 54.840 0.228 0.000 0.752 250 L CB -0.836 41.371 42.059 0.248 0.000 0.896 250 L HN 0.474 nan 8.230 nan 0.000 0.433 251 H N 0.073 119.197 119.070 0.090 0.000 2.290 251 H HA -0.219 4.337 4.556 -0.000 0.000 0.298 251 H C 2.172 177.515 175.328 0.024 0.000 1.087 251 H CA 1.882 57.983 56.048 0.089 0.000 1.291 251 H CB 0.181 29.965 29.762 0.037 0.000 1.369 251 H HN 0.369 nan 8.280 nan 0.000 0.492 252 N N -0.097 118.441 118.700 -0.271 0.000 2.309 252 N HA -0.121 4.619 4.740 -0.000 0.000 0.182 252 N C 1.916 177.252 175.510 -0.291 0.000 1.018 252 N CA 0.709 53.378 53.050 -0.635 0.000 0.876 252 N CB 0.288 37.981 38.487 -1.323 0.000 0.972 252 N HN 0.134 nan 8.380 nan 0.000 0.434 253 V N 1.579 121.539 119.914 0.076 0.000 2.427 253 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 253 V C 2.495 178.726 176.094 0.228 0.000 1.051 253 V CA 1.138 63.625 62.300 0.311 0.000 1.048 253 V CB -0.338 31.726 31.823 0.402 0.000 0.666 253 V HN 0.387 nan 8.190 nan 0.000 0.456 254 M N -1.449 118.320 119.600 0.281 0.000 2.080 254 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 254 M C 2.095 178.405 176.300 0.017 0.000 1.068 254 M CA 1.951 57.413 55.300 0.271 0.000 1.109 254 M CB -1.212 31.572 32.600 0.307 0.000 1.342 254 M HN 0.470 nan 8.290 nan 0.000 0.405 255 W N 0.394 121.439 121.300 -0.424 0.000 2.363 255 W HA -0.083 4.577 4.660 -0.000 0.000 0.296 255 W C 2.770 179.210 176.519 -0.131 0.000 1.212 255 W CA 1.750 58.811 57.345 -0.473 0.000 1.260 255 W CB -0.974 28.132 29.460 -0.591 0.000 1.131 255 W HN 0.292 nan 8.180 nan 0.000 0.530 256 A N -0.636 122.263 122.820 0.131 0.000 1.930 256 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 256 A C 1.935 179.564 177.584 0.076 0.000 1.175 256 A CA 1.591 53.707 52.037 0.131 0.000 0.627 256 A CB -0.567 18.544 19.000 0.185 0.000 0.815 256 A HN 0.091 nan 8.150 nan 0.000 0.443 257 M N 0.737 120.336 119.600 -0.001 0.000 2.419 257 M HA 0.013 4.493 4.480 -0.000 0.000 0.264 257 M C 1.454 177.782 176.300 0.046 0.000 1.082 257 M CA 0.819 56.053 55.300 -0.109 0.000 1.119 257 M CB -1.391 30.882 32.600 -0.545 0.000 1.398 257 M HN 0.543 nan 8.290 nan 0.000 0.453 258 S N 0.258 116.050 115.700 0.153 0.000 2.641 258 S HA 0.097 4.567 4.470 -0.000 0.000 0.261 258 S C 0.717 175.447 174.600 0.216 0.000 1.257 258 S CA -0.484 57.852 58.200 0.226 0.000 0.983 258 S CB 0.913 64.297 63.200 0.307 0.000 0.990 258 S HN 0.179 nan 8.310 nan 0.000 0.572 259 D N 0.198 120.747 120.400 0.249 0.000 2.378 259 D HA 0.003 4.643 4.640 -0.000 0.000 0.222 259 D C 1.818 178.269 176.300 0.252 0.000 0.980 259 D CA 0.391 54.562 54.000 0.285 0.000 0.907 259 D CB -0.166 40.873 40.800 0.399 0.000 0.899 259 D HN 0.382 nan 8.370 nan 0.000 0.527 260 R N 0.187 120.829 120.500 0.235 0.000 2.152 260 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 260 R C 2.028 178.485 176.300 0.261 0.000 1.117 260 R CA 0.905 57.166 56.100 0.268 0.000 0.981 260 R CB -0.701 29.820 30.300 0.368 0.000 0.870 260 R HN 0.181 nan 8.270 nan 0.000 0.451 261 G N 1.213 110.153 108.800 0.233 0.000 2.848 261 G HA2 0.002 3.962 3.960 -0.000 0.000 0.208 261 G HA3 0.002 3.962 3.960 -0.000 0.000 0.208 261 G C 0.977 176.018 174.900 0.234 0.000 1.152 261 G CA 0.018 45.246 45.100 0.214 0.000 0.789 261 G HN 0.396 nan 8.290 nan 0.000 0.531 262 I N -2.003 118.718 120.570 0.252 0.000 2.871 262 I HA 0.361 4.531 4.170 -0.000 0.000 0.284 262 I C -2.903 173.375 176.117 0.269 0.000 1.390 262 I CA -2.641 58.819 61.300 0.266 0.000 0.958 262 I CB 1.855 40.017 38.000 0.270 0.000 1.618 262 I HN -0.256 nan 8.210 nan 0.000 0.595 263 P HA 0.103 nan 4.420 nan 0.000 0.271 263 P C 0.438 177.889 177.300 0.251 0.000 1.218 263 P CA -0.180 63.036 63.100 0.195 0.000 0.780 263 P CB 1.400 33.154 31.700 0.090 0.000 0.901 264 R N 1.788 122.419 120.500 0.218 0.000 2.115 264 R HA 0.059 4.399 4.340 -0.000 0.000 0.226 264 R C 0.497 176.964 176.300 0.278 0.000 1.100 264 R CA 1.326 57.602 56.100 0.293 0.000 0.980 264 R CB -0.435 30.011 30.300 0.244 0.000 0.875 264 R HN 0.547 nan 8.270 nan 0.000 0.445 265 S N -2.813 112.861 115.700 -0.043 0.000 2.587 265 S HA 0.250 4.720 4.470 -0.000 0.000 0.269 265 S C -0.513 173.803 174.600 -0.473 0.000 1.154 265 S CA -0.843 57.177 58.200 -0.300 0.000 0.824 265 S CB 0.224 63.356 63.200 -0.113 0.000 1.118 265 S HN 0.100 nan 8.310 nan 0.000 0.462 266 Y N 1.856 121.814 120.300 -0.570 0.000 2.497 266 Y HA 0.146 4.696 4.550 -0.000 0.000 0.292 266 Y C 2.300 177.844 175.900 -0.592 0.000 1.137 266 Y CA 0.810 58.435 58.100 -0.792 0.000 1.285 266 Y CB -0.244 37.403 38.460 -1.354 0.000 0.991 266 Y HN 0.541 nan 8.280 nan 0.000 0.556 267 R N -0.720 119.658 120.500 -0.203 0.000 2.189 267 R HA -0.031 4.309 4.340 -0.000 0.000 0.218 267 R C 1.259 177.521 176.300 -0.064 0.000 1.074 267 R CA 1.516 57.545 56.100 -0.118 0.000 0.991 267 R CB -0.326 29.899 30.300 -0.124 0.000 0.883 267 R HN 0.296 nan 8.270 nan 0.000 0.457 268 T N -1.737 112.795 114.554 -0.037 0.000 3.269 268 T HA 0.328 4.678 4.350 -0.000 0.000 0.269 268 T C 0.279 175.021 174.700 0.070 0.000 0.993 268 T CA -0.640 61.467 62.100 0.010 0.000 0.909 268 T CB -0.086 68.775 68.868 -0.012 0.000 1.115 268 T HN 0.073 nan 8.240 nan 0.000 0.543 269 M N -0.991 118.688 119.600 0.131 0.000 2.644 269 M HA 0.732 5.212 4.480 -0.000 0.000 0.304 269 M C -1.135 175.341 176.300 0.294 0.000 1.215 269 M CA -0.899 54.521 55.300 0.201 0.000 0.871 269 M CB 2.102 34.818 32.600 0.192 0.000 1.740 269 M HN -0.148 nan 8.290 nan 0.000 0.464 270 E N 0.349 120.719 120.200 0.283 0.000 2.314 270 E HA 0.655 5.005 4.350 -0.000 0.000 0.262 270 E C -0.309 176.370 176.600 0.132 0.000 1.093 270 E CA -0.624 55.882 56.400 0.176 0.000 0.908 270 E CB 1.610 31.340 29.700 0.049 0.000 1.091 270 E HN 0.860 nan 8.360 nan 0.000 0.425 271 G N 0.778 109.495 108.800 -0.137 0.000 2.571 271 G HA2 0.629 4.589 3.960 -0.000 0.000 0.304 271 G HA3 0.629 4.589 3.960 -0.000 0.000 0.304 271 G C -1.489 173.047 174.900 -0.606 0.000 1.314 271 G CA -0.476 44.527 45.100 -0.162 0.000 0.975 271 G HN 0.282 nan 8.290 nan 0.000 0.485 272 F N -0.238 119.658 119.950 -0.089 0.000 2.608 272 F HA 0.497 5.024 4.527 -0.000 0.000 0.309 272 F C 1.068 176.780 175.800 -0.147 0.000 1.103 272 F CA -0.544 57.327 58.000 -0.215 0.000 0.954 272 F CB 2.573 41.390 39.000 -0.305 0.000 1.267 272 F HN 0.606 nan 8.300 nan 0.000 0.444 273 G N 1.063 109.924 108.800 0.101 0.000 2.650 273 G HA2 0.110 4.070 3.960 -0.000 0.000 0.214 273 G HA3 0.110 4.070 3.960 -0.000 0.000 0.214 273 G C 1.231 176.184 174.900 0.089 0.000 1.136 273 G CA 0.805 46.015 45.100 0.184 0.000 0.789 273 G HN 0.800 nan 8.290 nan 0.000 0.536 274 I N -1.020 119.524 120.570 -0.045 0.000 4.497 274 I HA -0.329 3.841 4.170 -0.000 0.000 0.059 274 I C 0.578 176.551 176.117 -0.239 0.000 0.607 274 I CA 1.617 62.766 61.300 -0.252 0.000 0.958 274 I CB -1.279 36.464 38.000 -0.429 0.000 0.864 274 I HN 0.285 nan 8.210 nan 0.000 0.166 275 H N 2.214 121.287 119.070 0.006 0.000 2.615 275 H HA 0.242 4.797 4.556 -0.000 0.000 0.363 275 H C 0.134 175.395 175.328 -0.111 0.000 1.148 275 H CA 0.384 56.348 56.048 -0.140 0.000 1.401 275 H CB 0.393 29.910 29.762 -0.409 0.000 1.461 275 H HN 0.175 nan 8.280 nan 0.000 0.588 276 T N 3.827 118.350 114.554 -0.052 0.000 2.779 276 T HA 0.205 4.555 4.350 -0.000 0.000 0.296 276 T C 0.285 174.926 174.700 -0.099 0.000 0.938 276 T CA 0.090 62.151 62.100 -0.064 0.000 1.119 276 T CB -0.247 68.537 68.868 -0.138 0.000 0.891 276 T HN 0.243 nan 8.240 nan 0.000 0.526 277 F N 1.378 121.268 119.950 -0.100 0.000 2.629 277 F HA 0.663 5.190 4.527 -0.000 0.000 0.386 277 F C 1.088 176.837 175.800 -0.084 0.000 1.135 277 F CA -1.352 56.619 58.000 -0.048 0.000 1.116 277 F CB 1.313 40.268 39.000 -0.075 0.000 1.426 277 F HN 0.192 nan 8.300 nan 0.000 0.501 278 R N 0.375 120.924 120.500 0.082 0.000 2.803 278 R HA 0.677 5.017 4.340 -0.000 0.000 0.276 278 R C -1.664 174.523 176.300 -0.189 0.000 0.978 278 R CA -0.904 55.116 56.100 -0.132 0.000 0.939 278 R CB 2.000 32.157 30.300 -0.239 0.000 1.179 278 R HN 0.421 nan 8.270 nan 0.000 0.472 279 L N 3.183 124.247 121.223 -0.265 0.000 2.329 279 L HA 0.558 4.898 4.340 -0.000 0.000 0.279 279 L C -0.645 176.073 176.870 -0.254 0.000 1.014 279 L CA -0.961 53.734 54.840 -0.242 0.000 0.814 279 L CB 1.560 43.482 42.059 -0.229 0.000 1.257 279 L HN 0.367 nan 8.230 nan 0.000 0.424 280 I N 2.856 123.298 120.570 -0.212 0.000 2.447 280 I HA 0.272 4.442 4.170 -0.000 0.000 0.287 280 I C -0.281 175.748 176.117 -0.146 0.000 1.023 280 I CA -0.683 60.493 61.300 -0.208 0.000 1.083 280 I CB 1.445 39.327 38.000 -0.197 0.000 1.245 280 I HN 0.631 nan 8.210 nan 0.000 0.434 281 N N 4.935 123.561 118.700 -0.123 0.000 2.448 281 N HA 0.376 5.116 4.740 -0.000 0.000 0.274 281 N C 0.844 176.313 175.510 -0.070 0.000 1.239 281 N CA -0.340 52.658 53.050 -0.087 0.000 0.982 281 N CB 0.623 39.067 38.487 -0.072 0.000 1.199 281 N HN 0.519 nan 8.380 nan 0.000 0.576 282 A N -0.621 122.167 122.820 -0.052 0.000 2.019 282 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 282 A C 1.580 179.144 177.584 -0.034 0.000 1.164 282 A CA 1.266 53.278 52.037 -0.041 0.000 0.644 282 A CB -0.763 18.219 19.000 -0.030 0.000 0.805 282 A HN 0.747 nan 8.150 nan 0.000 0.449 283 E N -1.515 118.665 120.200 -0.033 0.000 2.427 283 E HA 0.244 4.594 4.350 -0.000 0.000 0.196 283 E C 1.339 177.928 176.600 -0.018 0.000 1.028 283 E CA 0.872 57.258 56.400 -0.024 0.000 0.864 283 E CB -0.076 29.611 29.700 -0.022 0.000 0.813 283 E HN 0.737 nan 8.360 nan 0.000 0.514 284 G N 0.785 109.570 108.800 -0.026 0.000 2.176 284 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.232 284 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.232 284 G C 0.338 175.243 174.900 0.010 0.000 0.986 284 G CA 0.177 45.279 45.100 0.004 0.000 0.643 284 G HN 0.266 nan 8.290 nan 0.000 0.522 285 K N 1.080 121.452 120.400 -0.047 0.000 2.368 285 K HA 0.619 4.939 4.320 -0.000 0.000 0.282 285 K C 0.577 177.035 176.600 -0.236 0.000 1.035 285 K CA 0.286 56.515 56.287 -0.096 0.000 0.973 285 K CB 0.485 32.935 32.500 -0.083 0.000 0.957 285 K HN 0.581 nan 8.250 nan 0.000 0.474 286 A N 3.507 126.079 122.820 -0.413 0.000 2.301 286 A HA 0.399 4.719 4.320 -0.000 0.000 0.312 286 A C -0.735 176.544 177.584 -0.508 0.000 1.182 286 A CA -0.498 51.150 52.037 -0.649 0.000 0.826 286 A CB 1.134 19.371 19.000 -1.272 0.000 1.134 286 A HN 0.718 nan 8.150 nan 0.000 0.501 287 T N 2.494 116.786 114.554 -0.437 0.000 2.824 287 T HA 0.528 4.878 4.350 -0.000 0.000 0.282 287 T C -0.651 173.843 174.700 -0.344 0.000 0.993 287 T CA -0.060 61.843 62.100 -0.329 0.000 0.967 287 T CB 0.378 69.138 68.868 -0.180 0.000 0.960 287 T HN 0.342 nan 8.240 nan 0.000 0.441 288 F N 2.201 122.063 119.950 -0.146 0.000 2.471 288 F HA 0.521 5.048 4.527 -0.000 0.000 0.353 288 F C 0.553 176.240 175.800 -0.187 0.000 1.113 288 F CA -0.416 57.492 58.000 -0.153 0.000 1.262 288 F CB 0.721 39.653 39.000 -0.113 0.000 1.146 288 F HN 0.183 nan 8.300 nan 0.000 0.578 289 V N 4.872 124.744 119.914 -0.070 0.000 2.808 289 V HA 0.592 4.711 4.120 -0.000 0.000 0.308 289 V C -1.017 174.848 176.094 -0.382 0.000 1.099 289 V CA -0.766 61.348 62.300 -0.310 0.000 0.920 289 V CB 2.058 33.478 31.823 -0.671 0.000 1.014 289 V HN 0.767 nan 8.190 nan 0.000 0.425 290 R N 5.029 125.360 120.500 -0.282 0.000 2.494 290 R HA 0.550 4.890 4.340 -0.000 0.000 0.305 290 R C -1.587 174.639 176.300 -0.123 0.000 0.959 290 R CA -0.483 55.489 56.100 -0.212 0.000 0.864 290 R CB 1.938 32.231 30.300 -0.012 0.000 1.159 290 R HN 0.584 nan 8.270 nan 0.000 0.446 291 F N 2.542 122.530 119.950 0.063 0.000 2.396 291 F HA 0.326 4.853 4.527 -0.000 0.000 0.343 291 F C 1.017 176.771 175.800 -0.077 0.000 1.104 291 F CA -0.007 58.002 58.000 0.014 0.000 1.161 291 F CB 0.731 39.627 39.000 -0.174 0.000 1.146 291 F HN 0.223 nan 8.300 nan 0.000 0.522 292 H N 1.087 120.160 119.070 0.005 0.000 2.768 292 H HA 0.269 4.825 4.556 -0.000 0.000 0.371 292 H C -1.516 173.596 175.328 -0.360 0.000 1.151 292 H CA -0.991 54.953 56.048 -0.174 0.000 1.165 292 H CB 2.004 31.750 29.762 -0.025 0.000 1.722 292 H HN 0.662 nan 8.280 nan 0.000 0.543 293 W N 2.160 123.362 121.300 -0.163 0.000 2.600 293 W HA 0.317 4.977 4.660 -0.000 0.000 0.325 293 W C -0.172 176.380 176.519 0.056 0.000 1.034 293 W CA -0.759 56.543 57.345 -0.073 0.000 1.226 293 W CB 1.832 31.091 29.460 -0.334 0.000 1.379 293 W HN 0.270 nan 8.180 nan 0.000 0.466 294 K N 5.667 126.335 120.400 0.447 0.000 2.235 294 K HA 0.393 4.713 4.320 -0.000 0.000 0.266 294 K C -2.418 174.397 176.600 0.358 0.000 0.980 294 K CA -1.905 54.579 56.287 0.329 0.000 0.849 294 K CB 1.522 34.166 32.500 0.239 0.000 1.098 294 K HN 0.047 nan 8.250 nan 0.000 0.445 295 P HA 0.052 nan 4.420 nan 0.000 0.275 295 P C 0.420 177.726 177.300 0.010 0.000 1.276 295 P CA -0.068 63.095 63.100 0.105 0.000 0.782 295 P CB 0.660 32.441 31.700 0.136 0.000 0.851 296 L N 2.681 123.858 121.223 -0.077 0.000 2.456 296 L HA -0.081 4.259 4.340 -0.000 0.000 0.224 296 L C 2.157 179.006 176.870 -0.036 0.000 1.148 296 L CA 1.027 55.854 54.840 -0.021 0.000 0.825 296 L CB -0.587 41.467 42.059 -0.008 0.000 0.937 296 L HN 0.330 nan 8.230 nan 0.000 0.450 297 A N 0.009 122.782 122.820 -0.077 0.000 2.238 297 A HA 0.405 4.725 4.320 -0.000 0.000 0.208 297 A C 1.269 178.847 177.584 -0.010 0.000 1.177 297 A CA 0.672 52.679 52.037 -0.050 0.000 0.804 297 A CB -0.341 18.611 19.000 -0.080 0.000 0.823 297 A HN 0.457 nan 8.150 nan 0.000 0.482 298 G N -0.608 108.200 108.800 0.014 0.000 2.756 298 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.678 298 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.678 298 G C -0.653 174.275 174.900 0.047 0.000 1.349 298 G CA -0.445 44.683 45.100 0.046 0.000 0.847 298 G HN 0.456 nan 8.290 nan 0.000 0.548 299 K N 0.247 120.683 120.400 0.060 0.000 2.227 299 K HA 0.688 5.008 4.320 -0.000 0.000 0.280 299 K C 0.226 176.830 176.600 0.007 0.000 1.041 299 K CA 0.268 56.580 56.287 0.041 0.000 0.905 299 K CB 1.673 34.190 32.500 0.028 0.000 1.068 299 K HN 1.382 nan 8.250 nan 0.000 0.470 300 A N 1.933 124.747 122.820 -0.010 0.000 2.517 300 A HA 0.585 4.904 4.320 -0.000 0.000 0.297 300 A C -1.075 176.578 177.584 0.114 0.000 1.050 300 A CA -0.673 51.314 52.037 -0.084 0.000 0.694 300 A CB 1.704 20.421 19.000 -0.473 0.000 1.277 300 A HN 0.513 nan 8.150 nan 0.000 0.400 301 S N 0.741 116.687 115.700 0.410 0.000 2.599 301 S HA 0.743 5.213 4.470 -0.000 0.000 0.294 301 S C 0.018 174.944 174.600 0.544 0.000 1.094 301 S CA -0.600 57.857 58.200 0.428 0.000 0.931 301 S CB 1.186 64.619 63.200 0.387 0.000 1.093 301 S HN 0.643 nan 8.310 nan 0.000 0.488 302 L N 1.348 122.779 121.223 0.347 0.000 2.505 302 L HA 0.501 4.841 4.340 -0.000 0.000 0.226 302 L C 0.159 177.156 176.870 0.212 0.000 1.211 302 L CA -0.713 54.252 54.840 0.208 0.000 0.828 302 L CB 0.108 42.203 42.059 0.062 0.000 1.331 302 L HN 0.493 nan 8.230 nan 0.000 0.513 303 V N -3.028 116.913 119.914 0.044 0.000 2.732 303 V HA 0.169 4.289 4.120 -0.000 0.000 0.310 303 V C 0.681 176.742 176.094 -0.055 0.000 1.053 303 V CA -0.773 61.531 62.300 0.008 0.000 0.957 303 V CB 1.593 33.390 31.823 -0.044 0.000 1.018 303 V HN 0.925 nan 8.190 nan 0.000 0.452 304 W N 2.044 123.228 121.300 -0.194 0.000 2.318 304 W HA -0.232 4.428 4.660 -0.000 0.000 0.313 304 W C 1.796 178.165 176.519 -0.250 0.000 1.221 304 W CA 2.591 59.807 57.345 -0.215 0.000 1.266 304 W CB -0.088 29.227 29.460 -0.242 0.000 1.150 304 W HN 1.016 nan 8.180 nan 0.000 0.496 305 D N 0.167 120.301 120.400 -0.442 0.000 2.117 305 D HA -0.287 4.353 4.640 -0.000 0.000 0.197 305 D C 2.134 178.083 176.300 -0.585 0.000 0.987 305 D CA 2.130 55.835 54.000 -0.492 0.000 0.829 305 D CB -0.483 40.276 40.800 -0.068 0.000 0.961 305 D HN 0.370 nan 8.370 nan 0.000 0.460 306 E N -0.308 119.418 120.200 -0.789 0.000 2.031 306 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 306 E C 2.041 178.293 176.600 -0.579 0.000 0.994 306 E CA 1.174 57.034 56.400 -0.899 0.000 0.800 306 E CB -0.263 28.804 29.700 -1.054 0.000 0.752 306 E HN 0.308 nan 8.360 nan 0.000 0.447 307 A N 1.163 123.675 122.820 -0.513 0.000 1.883 307 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 307 A C 2.207 179.466 177.584 -0.542 0.000 1.186 307 A CA 1.925 53.714 52.037 -0.413 0.000 0.624 307 A CB -0.797 18.080 19.000 -0.205 0.000 0.822 307 A HN 0.479 nan 8.150 nan 0.000 0.444 308 Q N -0.564 118.682 119.800 -0.923 0.000 2.084 308 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 308 Q C 2.184 177.895 176.000 -0.481 0.000 0.978 308 Q CA 1.847 57.128 55.803 -0.869 0.000 0.844 308 Q CB -0.151 27.768 28.738 -1.366 0.000 0.898 308 Q HN 0.669 nan 8.270 nan 0.000 0.426 309 K N 0.024 120.165 120.400 -0.431 0.000 2.148 309 K HA -0.144 4.176 4.320 -0.000 0.000 0.204 309 K C 2.016 178.474 176.600 -0.237 0.000 1.050 309 K CA 0.680 56.810 56.287 -0.261 0.000 0.942 309 K CB -0.021 32.368 32.500 -0.185 0.000 0.724 309 K HN 0.188 nan 8.250 nan 0.000 0.446 310 L N 1.417 122.458 121.223 -0.303 0.000 2.275 310 L HA -0.109 4.230 4.340 -0.000 0.000 0.215 310 L C 2.130 178.867 176.870 -0.223 0.000 1.119 310 L CA 2.004 56.665 54.840 -0.298 0.000 0.790 310 L CB -0.824 40.970 42.059 -0.442 0.000 0.919 310 L HN 0.309 nan 8.230 nan 0.000 0.443 311 T N -4.488 109.942 114.554 -0.208 0.000 2.881 311 T HA -0.057 4.293 4.350 -0.000 0.000 0.270 311 T C 1.806 176.444 174.700 -0.102 0.000 1.068 311 T CA 1.004 63.022 62.100 -0.136 0.000 1.131 311 T CB -0.825 67.974 68.868 -0.114 0.000 0.871 311 T HN 0.370 nan 8.240 nan 0.000 0.479 312 G N 0.905 109.637 108.800 -0.113 0.000 2.490 312 G HA2 0.047 4.006 3.960 -0.000 0.000 0.211 312 G HA3 0.047 4.006 3.960 -0.000 0.000 0.211 312 G C 1.893 176.750 174.900 -0.071 0.000 1.159 312 G CA -0.338 44.714 45.100 -0.081 0.000 0.819 312 G HN 0.279 nan 8.290 nan 0.000 0.539 313 R N 0.371 120.819 120.500 -0.086 0.000 2.090 313 R HA 0.031 4.371 4.340 -0.000 0.000 0.228 313 R C -0.149 176.126 176.300 -0.041 0.000 1.110 313 R CA 0.862 56.925 56.100 -0.062 0.000 0.973 313 R CB -0.251 30.005 30.300 -0.074 0.000 0.869 313 R HN 0.325 nan 8.270 nan 0.000 0.440 314 D N -0.305 120.066 120.400 -0.049 0.000 2.328 314 D HA 0.155 4.795 4.640 -0.000 0.000 0.243 314 D C -2.083 174.219 176.300 0.002 0.000 1.324 314 D CA -1.963 52.040 54.000 0.005 0.000 0.966 314 D CB 1.480 42.332 40.800 0.086 0.000 1.324 314 D HN -0.141 nan 8.370 nan 0.000 0.549 315 P HA 0.010 nan 4.420 nan 0.000 0.226 315 P C 0.063 177.368 177.300 0.008 0.000 1.153 315 P CA 0.634 63.723 63.100 -0.018 0.000 0.777 315 P CB 0.527 32.213 31.700 -0.023 0.000 0.794 316 D N -1.400 119.015 120.400 0.025 0.000 2.427 316 D HA 0.076 4.716 4.640 -0.000 0.000 0.224 316 D C 1.196 177.525 176.300 0.049 0.000 1.157 316 D CA -0.449 53.570 54.000 0.031 0.000 0.828 316 D CB -0.546 40.251 40.800 -0.005 0.000 0.974 316 D HN 0.105 nan 8.370 nan 0.000 0.498 317 F N 1.257 121.148 119.950 -0.099 0.000 2.126 317 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 317 F C 2.040 177.805 175.800 -0.059 0.000 1.096 317 F CA 1.888 59.822 58.000 -0.111 0.000 1.255 317 F CB 0.057 38.935 39.000 -0.204 0.000 0.997 317 F HN 0.123 nan 8.300 nan 0.000 0.479 318 H N -1.340 117.642 119.070 -0.147 0.000 2.403 318 H HA -0.053 4.503 4.556 -0.000 0.000 0.298 318 H C 2.368 177.581 175.328 -0.191 0.000 1.059 318 H CA 0.774 56.593 56.048 -0.381 0.000 1.363 318 H CB -0.061 29.304 29.762 -0.663 0.000 1.410 318 H HN 0.178 nan 8.280 nan 0.000 0.528 319 R N 1.247 121.825 120.500 0.130 0.000 2.073 319 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 319 R C 2.438 178.834 176.300 0.160 0.000 1.134 319 R CA 1.336 57.569 56.100 0.222 0.000 0.952 319 R CB -0.009 30.411 30.300 0.200 0.000 0.850 319 R HN 0.192 nan 8.270 nan 0.000 0.433 320 R N 0.328 120.843 120.500 0.026 0.000 2.066 320 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 320 R C 2.158 178.453 176.300 -0.008 0.000 1.131 320 R CA 1.603 57.704 56.100 0.001 0.000 0.955 320 R CB -0.253 30.008 30.300 -0.066 0.000 0.851 320 R HN 0.252 nan 8.270 nan 0.000 0.432 321 E N 0.783 120.863 120.200 -0.199 0.000 2.085 321 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 321 E C 2.024 178.593 176.600 -0.052 0.000 0.994 321 E CA 1.267 57.529 56.400 -0.231 0.000 0.801 321 E CB -0.105 29.281 29.700 -0.524 0.000 0.743 321 E HN 0.293 nan 8.360 nan 0.000 0.453 322 L N 0.740 121.976 121.223 0.023 0.000 2.005 322 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 322 L C 2.310 179.279 176.870 0.165 0.000 1.072 322 L CA 1.848 56.749 54.840 0.101 0.000 0.744 322 L CB -0.912 41.264 42.059 0.196 0.000 0.895 322 L HN 0.295 nan 8.230 nan 0.000 0.433 323 W N 1.071 122.407 121.300 0.060 0.000 2.318 323 W HA -0.255 4.405 4.660 -0.000 0.000 0.313 323 W C 2.231 178.780 176.519 0.050 0.000 1.221 323 W CA 2.422 59.814 57.345 0.077 0.000 1.266 323 W CB -0.219 29.288 29.460 0.079 0.000 1.150 323 W HN 0.366 nan 8.180 nan 0.000 0.496 324 E N -0.170 120.204 120.200 0.290 0.000 2.150 324 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 324 E C 2.335 178.966 176.600 0.051 0.000 0.985 324 E CA 1.045 57.536 56.400 0.152 0.000 0.814 324 E CB -0.348 29.397 29.700 0.076 0.000 0.752 324 E HN 0.209 nan 8.360 nan 0.000 0.466 325 A N 1.128 123.976 122.820 0.046 0.000 1.902 325 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 325 A C 2.128 179.734 177.584 0.036 0.000 1.181 325 A CA 0.985 53.042 52.037 0.032 0.000 0.623 325 A CB -0.451 18.568 19.000 0.032 0.000 0.818 325 A HN 0.134 nan 8.150 nan 0.000 0.443 326 I N -0.520 120.090 120.570 0.067 0.000 2.315 326 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 326 I C 2.397 178.576 176.117 0.104 0.000 1.117 326 I CA 1.244 62.632 61.300 0.146 0.000 1.404 326 I CB -0.354 37.669 38.000 0.038 0.000 1.071 326 I HN 0.409 nan 8.210 nan 0.000 0.419 327 E N 0.910 121.123 120.200 0.021 0.000 2.150 327 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 327 E C 2.121 178.735 176.600 0.023 0.000 0.985 327 E CA 1.151 57.577 56.400 0.042 0.000 0.814 327 E CB -0.079 29.675 29.700 0.090 0.000 0.752 327 E HN 0.485 nan 8.360 nan 0.000 0.466 328 A N 0.169 122.979 122.820 -0.016 0.000 2.208 328 A HA 0.204 4.524 4.320 -0.000 0.000 0.209 328 A C 1.770 179.290 177.584 -0.107 0.000 1.161 328 A CA 0.937 52.947 52.037 -0.045 0.000 0.782 328 A CB -0.188 18.774 19.000 -0.062 0.000 0.816 328 A HN 0.339 nan 8.150 nan 0.000 0.477 329 G N -0.457 108.186 108.800 -0.262 0.000 2.176 329 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.253 329 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.253 329 G C -0.141 174.249 174.900 -0.850 0.000 0.979 329 G CA 0.252 44.906 45.100 -0.743 0.000 0.641 329 G HN 0.474 nan 8.290 nan 0.000 0.530 330 D N 1.015 121.184 120.400 -0.386 0.000 2.994 330 D HA 0.277 4.917 4.640 -0.000 0.000 0.240 330 D C 0.704 176.935 176.300 -0.115 0.000 1.195 330 D CA -0.158 53.716 54.000 -0.210 0.000 0.957 330 D CB -0.697 40.083 40.800 -0.035 0.000 1.105 330 D HN 0.429 nan 8.370 nan 0.000 0.477 331 F N 1.323 121.275 119.950 0.003 0.000 2.578 331 F HA 0.095 4.622 4.527 -0.000 0.000 0.381 331 F C -1.392 174.379 175.800 -0.047 0.000 1.069 331 F CA -1.951 56.042 58.000 -0.011 0.000 1.231 331 F CB -0.013 38.990 39.000 0.005 0.000 1.086 331 F HN -0.115 nan 8.300 nan 0.000 0.564 332 P HA -0.006 nan 4.420 nan 0.000 0.260 332 P C -1.110 176.137 177.300 -0.087 0.000 1.185 332 P CA 0.452 63.538 63.100 -0.024 0.000 0.763 332 P CB 0.369 32.143 31.700 0.123 0.000 0.776 333 E N 2.666 122.679 120.200 -0.312 0.000 2.222 333 E HA 0.464 4.814 4.350 -0.000 0.000 0.267 333 E C -1.018 175.306 176.600 -0.460 0.000 0.884 333 E CA -0.589 55.681 56.400 -0.217 0.000 0.764 333 E CB 1.495 31.159 29.700 -0.060 0.000 1.169 333 E HN 0.382 nan 8.360 nan 0.000 0.413 334 Y N 0.358 120.729 120.300 0.119 0.000 2.492 334 Y HA 0.236 4.786 4.550 -0.000 0.000 0.346 334 Y C -0.276 175.852 175.900 0.381 0.000 0.997 334 Y CA -0.988 57.251 58.100 0.232 0.000 1.025 334 Y CB 2.086 40.648 38.460 0.169 0.000 1.263 334 Y HN 0.481 nan 8.280 nan 0.000 0.454 335 E N 3.034 123.557 120.200 0.537 0.000 2.134 335 E HA 0.378 4.728 4.350 -0.000 0.000 0.278 335 E C -1.443 175.426 176.600 0.449 0.000 0.959 335 E CA -0.967 55.699 56.400 0.442 0.000 0.783 335 E CB 0.970 30.870 29.700 0.335 0.000 1.095 335 E HN 0.599 nan 8.360 nan 0.000 0.399 336 L N 4.492 125.913 121.223 0.331 0.000 2.410 336 L HA 0.482 4.822 4.340 -0.000 0.000 0.273 336 L C -0.069 176.742 176.870 -0.099 0.000 1.152 336 L CA 0.689 55.453 54.840 -0.127 0.000 0.855 336 L CB 0.938 42.879 42.059 -0.196 0.000 1.129 336 L HN 0.583 nan 8.230 nan 0.000 0.463 337 G N 4.466 113.223 108.800 -0.072 0.000 2.612 337 G HA2 0.581 4.541 3.960 -0.000 0.000 0.298 337 G HA3 0.581 4.541 3.960 -0.000 0.000 0.298 337 G C -1.644 173.382 174.900 0.209 0.000 1.336 337 G CA -0.529 44.564 45.100 -0.012 0.000 0.953 337 G HN 0.477 nan 8.290 nan 0.000 0.482 338 F N -0.009 119.956 119.950 0.026 0.000 2.540 338 F HA 0.403 4.930 4.527 -0.000 0.000 0.317 338 F C 0.264 176.063 175.800 -0.002 0.000 1.104 338 F CA -0.962 57.061 58.000 0.038 0.000 0.913 338 F CB 2.733 41.744 39.000 0.017 0.000 1.170 338 F HN 0.143 nan 8.300 nan 0.000 0.450 339 Q N 4.133 124.055 119.800 0.202 0.000 2.303 339 Q HA 0.513 4.853 4.340 -0.000 0.000 0.257 339 Q C -1.175 174.869 176.000 0.074 0.000 0.941 339 Q CA -0.505 55.363 55.803 0.109 0.000 0.931 339 Q CB 2.109 30.919 28.738 0.119 0.000 1.215 339 Q HN 0.515 nan 8.270 nan 0.000 0.437 340 L N 4.409 125.683 121.223 0.085 0.000 2.333 340 L HA 0.603 4.943 4.340 -0.000 0.000 0.280 340 L C -0.582 176.344 176.870 0.092 0.000 1.004 340 L CA -0.539 54.341 54.840 0.066 0.000 0.820 340 L CB 1.341 43.446 42.059 0.077 0.000 1.247 340 L HN 0.497 nan 8.230 nan 0.000 0.416 341 I N 4.149 124.788 120.570 0.115 0.000 2.447 341 I HA 0.366 4.536 4.170 -0.000 0.000 0.287 341 I C -2.324 173.907 176.117 0.190 0.000 1.023 341 I CA -2.085 59.325 61.300 0.183 0.000 1.083 341 I CB 2.458 40.590 38.000 0.220 0.000 1.245 341 I HN 0.277 nan 8.210 nan 0.000 0.434 342 P HA 0.030 nan 4.420 nan 0.000 0.269 342 P C 0.621 178.008 177.300 0.145 0.000 1.209 342 P CA -0.020 63.129 63.100 0.081 0.000 0.776 342 P CB 0.853 32.590 31.700 0.060 0.000 0.876 343 E N 2.451 122.658 120.200 0.012 0.000 2.130 343 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 343 E C 1.394 178.117 176.600 0.205 0.000 0.998 343 E CA 1.218 57.642 56.400 0.041 0.000 0.806 343 E CB -0.013 29.599 29.700 -0.146 0.000 0.738 343 E HN 0.484 nan 8.360 nan 0.000 0.459 344 E N 0.225 120.501 120.200 0.128 0.000 2.409 344 E HA -0.173 4.177 4.350 -0.000 0.000 0.198 344 E C 0.323 177.002 176.600 0.132 0.000 1.024 344 E CA 0.848 57.325 56.400 0.129 0.000 0.861 344 E CB 0.023 29.770 29.700 0.078 0.000 0.788 344 E HN 0.275 nan 8.360 nan 0.000 0.521 345 D N 1.226 121.710 120.400 0.141 0.000 2.388 345 D HA 0.003 4.643 4.640 -0.000 0.000 0.221 345 D C 1.310 177.669 176.300 0.100 0.000 1.133 345 D CA 0.008 54.062 54.000 0.089 0.000 0.831 345 D CB 0.209 41.056 40.800 0.079 0.000 0.962 345 D HN 0.423 nan 8.370 nan 0.000 0.502 346 E N -0.101 120.151 120.200 0.087 0.000 2.097 346 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 346 E C 0.417 176.797 176.600 -0.366 0.000 1.000 346 E CA 1.167 57.422 56.400 -0.240 0.000 0.804 346 E CB 0.026 29.506 29.700 -0.366 0.000 0.740 346 E HN 0.246 nan 8.360 nan 0.000 0.454 347 F N -0.396 119.548 119.950 -0.009 0.000 2.647 347 F HA 0.296 4.823 4.527 -0.000 0.000 0.300 347 F C 1.305 177.035 175.800 -0.116 0.000 1.106 347 F CA -0.291 57.683 58.000 -0.044 0.000 1.313 347 F CB 0.630 39.614 39.000 -0.026 0.000 1.007 347 F HN -0.176 nan 8.300 nan 0.000 0.536 348 K N -0.007 120.335 120.400 -0.097 0.000 2.487 348 K HA 0.105 4.425 4.320 -0.000 0.000 0.192 348 K C -0.085 176.135 176.600 -0.634 0.000 1.027 348 K CA 0.351 56.422 56.287 -0.359 0.000 1.054 348 K CB 0.155 32.386 32.500 -0.448 0.000 0.824 348 K HN 0.140 nan 8.250 nan 0.000 0.510 349 F N 0.823 120.606 119.950 -0.280 0.000 2.410 349 F HA 0.064 4.591 4.527 -0.000 0.000 0.324 349 F C 1.337 176.932 175.800 -0.341 0.000 1.093 349 F CA -1.089 56.640 58.000 -0.452 0.000 1.028 349 F CB 0.486 38.807 39.000 -1.131 0.000 1.309 349 F HN -0.014 nan 8.300 nan 0.000 0.499 350 D N -0.649 119.731 120.400 -0.035 0.000 2.328 350 D HA 0.054 4.694 4.640 -0.000 0.000 0.226 350 D C -0.476 175.914 176.300 0.151 0.000 1.066 350 D CA 0.120 54.165 54.000 0.074 0.000 0.861 350 D CB -0.902 39.975 40.800 0.130 0.000 0.912 350 D HN 0.239 nan 8.370 nan 0.000 0.521 351 F N -1.711 118.319 119.950 0.132 0.000 2.593 351 F HA 0.511 5.038 4.527 -0.000 0.000 0.320 351 F C -0.162 175.624 175.800 -0.022 0.000 1.060 351 F CA -1.751 56.251 58.000 0.003 0.000 0.940 351 F CB 0.929 39.883 39.000 -0.076 0.000 1.268 351 F HN -0.341 nan 8.300 nan 0.000 0.475 352 D N 1.879 122.302 120.400 0.039 0.000 2.351 352 D HA 0.157 4.797 4.640 -0.000 0.000 0.251 352 D C 0.997 177.232 176.300 -0.108 0.000 1.137 352 D CA 0.057 54.010 54.000 -0.077 0.000 0.879 352 D CB 1.405 42.158 40.800 -0.079 0.000 1.181 352 D HN 0.752 nan 8.370 nan 0.000 0.448 353 L N 3.524 124.617 121.223 -0.216 0.000 2.275 353 L HA -0.113 4.226 4.340 -0.000 0.000 0.215 353 L C 1.926 178.649 176.870 -0.245 0.000 1.119 353 L CA 0.618 55.314 54.840 -0.240 0.000 0.790 353 L CB -0.043 41.746 42.059 -0.449 0.000 0.919 353 L HN 0.447 nan 8.230 nan 0.000 0.443 354 L N -0.939 120.145 121.223 -0.231 0.000 2.592 354 L HA 0.080 4.420 4.340 -0.000 0.000 0.227 354 L C 0.333 177.079 176.870 -0.206 0.000 1.127 354 L CA -0.133 54.630 54.840 -0.127 0.000 0.884 354 L CB -0.248 41.834 42.059 0.037 0.000 1.065 354 L HN 0.094 nan 8.230 nan 0.000 0.457 355 D N 1.702 121.753 120.400 -0.582 0.000 2.317 355 D HA 0.141 4.781 4.640 -0.000 0.000 0.234 355 D C -1.662 174.404 176.300 -0.389 0.000 1.112 355 D CA -2.316 51.128 54.000 -0.926 0.000 0.840 355 D CB 1.733 41.707 40.800 -1.376 0.000 1.078 355 D HN -0.107 nan 8.370 nan 0.000 0.486 356 P HA -0.016 nan 4.420 nan 0.000 0.245 356 P C 0.793 177.996 177.300 -0.161 0.000 1.212 356 P CA 0.538 63.559 63.100 -0.132 0.000 0.774 356 P CB -0.034 31.664 31.700 -0.003 0.000 0.999 357 T N -4.390 110.062 114.554 -0.170 0.000 3.107 357 T HA 0.158 4.508 4.350 -0.000 0.000 0.249 357 T C 0.713 175.328 174.700 -0.142 0.000 1.096 357 T CA -0.094 61.922 62.100 -0.139 0.000 1.012 357 T CB -0.184 68.649 68.868 -0.058 0.000 0.977 357 T HN -0.132 nan 8.240 nan 0.000 0.527 358 K N 2.231 122.450 120.400 -0.301 0.000 2.244 358 K HA 0.554 4.874 4.320 -0.000 0.000 0.260 358 K C -0.330 176.083 176.600 -0.312 0.000 0.951 358 K CA -0.825 55.156 56.287 -0.509 0.000 0.826 358 K CB 2.194 34.240 32.500 -0.757 0.000 1.108 358 K HN 0.285 nan 8.250 nan 0.000 0.433 359 L N -0.145 121.047 121.223 -0.051 0.000 2.387 359 L HA 0.640 4.980 4.340 -0.000 0.000 0.266 359 L C 0.022 176.730 176.870 -0.270 0.000 1.059 359 L CA -0.438 54.325 54.840 -0.129 0.000 0.801 359 L CB 0.274 42.329 42.059 -0.006 0.000 1.223 359 L HN 0.443 nan 8.230 nan 0.000 0.456 360 I N 1.390 121.888 120.570 -0.120 0.000 2.330 360 I HA 0.362 4.532 4.170 -0.000 0.000 0.286 360 I C -2.145 174.002 176.117 0.050 0.000 1.025 360 I CA -1.767 59.517 61.300 -0.027 0.000 1.197 360 I CB 1.128 39.119 38.000 -0.015 0.000 1.358 360 I HN 0.452 nan 8.210 nan 0.000 0.467 361 P HA 0.007 nan 4.420 nan 0.000 0.264 361 P C 0.368 177.741 177.300 0.122 0.000 1.183 361 P CA 0.169 63.325 63.100 0.093 0.000 0.763 361 P CB 0.603 32.350 31.700 0.078 0.000 0.807 362 E N 1.823 122.101 120.200 0.131 0.000 2.204 362 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 362 E C 1.307 177.965 176.600 0.096 0.000 0.990 362 E CA 0.793 57.259 56.400 0.109 0.000 0.821 362 E CB -0.019 29.747 29.700 0.109 0.000 0.750 362 E HN 0.535 nan 8.360 nan 0.000 0.477 363 E N 0.324 120.582 120.200 0.096 0.000 2.268 363 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 363 E C 1.995 178.660 176.600 0.110 0.000 0.995 363 E CA 0.650 57.103 56.400 0.087 0.000 0.836 363 E CB 0.150 29.894 29.700 0.073 0.000 0.763 363 E HN 0.379 nan 8.360 nan 0.000 0.491 364 L N -0.420 120.891 121.223 0.148 0.000 2.221 364 L HA 0.075 4.415 4.340 -0.000 0.000 0.202 364 L C 0.659 177.652 176.870 0.205 0.000 1.074 364 L CA 0.401 55.365 54.840 0.207 0.000 0.795 364 L CB 0.490 42.748 42.059 0.330 0.000 0.960 364 L HN -0.209 nan 8.230 nan 0.000 0.458 365 V N 1.605 121.619 119.914 0.166 0.000 2.462 365 V HA 0.318 4.438 4.120 -0.000 0.000 0.288 365 V C -2.366 173.781 176.094 0.089 0.000 1.020 365 V CA -1.418 60.963 62.300 0.136 0.000 0.857 365 V CB 1.620 33.517 31.823 0.123 0.000 1.013 365 V HN -0.041 nan 8.190 nan 0.000 0.431 366 P HA 0.193 nan 4.420 nan 0.000 0.272 366 P C -0.355 176.949 177.300 0.008 0.000 1.230 366 P CA -0.057 63.068 63.100 0.041 0.000 0.788 366 P CB 1.244 32.970 31.700 0.044 0.000 0.949 367 V N 3.023 122.910 119.914 -0.046 0.000 2.408 367 V HA 0.100 4.220 4.120 -0.000 0.000 0.267 367 V C 0.884 176.968 176.094 -0.017 0.000 1.047 367 V CA -0.019 62.218 62.300 -0.106 0.000 0.937 367 V CB 0.160 31.820 31.823 -0.272 0.000 0.999 367 V HN 0.555 nan 8.190 nan 0.000 0.472 368 Q N 5.994 125.807 119.800 0.023 0.000 2.267 368 Q HA 0.325 4.665 4.340 -0.000 0.000 0.255 368 Q C -0.066 175.937 176.000 0.005 0.000 0.923 368 Q CA -0.662 55.159 55.803 0.029 0.000 0.925 368 Q CB 0.762 29.531 28.738 0.051 0.000 1.195 368 Q HN 0.646 nan 8.270 nan 0.000 0.417 369 R N 2.493 123.019 120.500 0.044 0.000 2.537 369 R HA 0.084 4.424 4.340 -0.000 0.000 0.280 369 R C 0.258 176.598 176.300 0.067 0.000 1.058 369 R CA -0.196 55.971 56.100 0.113 0.000 1.057 369 R CB 0.868 31.302 30.300 0.223 0.000 0.973 369 R HN 0.552 nan 8.270 nan 0.000 0.438 370 V N 1.004 120.868 119.914 -0.083 0.000 3.137 370 V HA 0.303 4.423 4.120 -0.000 0.000 0.236 370 V C 0.718 176.538 176.094 -0.457 0.000 1.260 370 V CA 0.991 63.114 62.300 -0.296 0.000 1.244 370 V CB 1.082 32.486 31.823 -0.699 0.000 1.016 370 V HN 1.006 nan 8.190 nan 0.000 0.477 371 G N -0.315 108.102 108.800 -0.639 0.000 2.488 371 G HA2 0.515 4.475 3.960 -0.000 0.000 0.301 371 G HA3 0.515 4.475 3.960 -0.000 0.000 0.301 371 G C -1.878 172.645 174.900 -0.627 0.000 1.339 371 G CA -0.525 43.923 45.100 -1.087 0.000 0.803 371 G HN 0.056 nan 8.290 nan 0.000 0.482 372 K N -0.377 119.705 120.400 -0.530 0.000 2.316 372 K HA 0.730 5.050 4.320 -0.000 0.000 0.251 372 K C -0.855 175.785 176.600 0.067 0.000 0.934 372 K CA -0.777 55.493 56.287 -0.028 0.000 0.802 372 K CB 2.067 34.605 32.500 0.063 0.000 1.171 372 K HN 0.559 nan 8.250 nan 0.000 0.426 373 M N 4.529 124.299 119.600 0.283 0.000 2.311 373 M HA 0.416 4.896 4.480 -0.000 0.000 0.325 373 M C -1.744 174.550 176.300 -0.010 0.000 1.061 373 M CA -0.763 54.658 55.300 0.201 0.000 0.957 373 M CB 1.676 34.435 32.600 0.266 0.000 1.646 373 M HN 0.356 nan 8.290 nan 0.000 0.434 374 V N 5.743 125.490 119.914 -0.278 0.000 2.483 374 V HA 0.424 4.544 4.120 -0.000 0.000 0.297 374 V C -1.029 174.924 176.094 -0.234 0.000 1.027 374 V CA -0.827 61.306 62.300 -0.278 0.000 0.855 374 V CB 1.755 33.285 31.823 -0.489 0.000 0.995 374 V HN 0.659 nan 8.190 nan 0.000 0.424 375 L N 5.890 127.072 121.223 -0.069 0.000 2.259 375 L HA 0.473 4.813 4.340 -0.000 0.000 0.288 375 L C 0.770 177.563 176.870 -0.128 0.000 1.051 375 L CA 0.171 54.977 54.840 -0.057 0.000 0.824 375 L CB 0.859 42.937 42.059 0.032 0.000 1.206 375 L HN 0.870 nan 8.230 nan 0.000 0.429 376 N N 2.150 120.681 118.700 -0.281 0.000 2.197 376 N HA 0.154 4.894 4.740 -0.000 0.000 0.228 376 N C 0.087 175.421 175.510 -0.294 0.000 1.212 376 N CA -0.251 52.390 53.050 -0.682 0.000 0.883 376 N CB 0.728 38.523 38.487 -1.154 0.000 1.107 376 N HN 0.394 nan 8.380 nan 0.000 0.519 377 R N 0.156 120.590 120.500 -0.110 0.000 2.535 377 R HA 0.307 4.647 4.340 -0.000 0.000 0.274 377 R C -1.275 174.981 176.300 -0.074 0.000 1.090 377 R CA -0.574 55.477 56.100 -0.082 0.000 0.930 377 R CB 1.316 31.571 30.300 -0.074 0.000 1.223 377 R HN 0.059 nan 8.270 nan 0.000 0.441 378 N N 3.120 121.661 118.700 -0.264 0.000 2.424 378 N HA 0.296 5.036 4.740 -0.000 0.000 0.257 378 N C -2.281 173.178 175.510 -0.085 0.000 1.250 378 N CA -1.186 51.584 53.050 -0.468 0.000 0.946 378 N CB 0.609 38.181 38.487 -1.525 0.000 1.175 378 N HN 0.326 nan 8.380 nan 0.000 0.477 379 P HA 0.124 nan 4.420 nan 0.000 0.274 379 P C 0.069 177.549 177.300 0.299 0.000 1.260 379 P CA -0.103 63.191 63.100 0.324 0.000 0.793 379 P CB 1.094 33.020 31.700 0.376 0.000 1.048 380 D N -1.067 119.482 120.400 0.248 0.000 2.197 380 D HA -0.017 4.623 4.640 -0.000 0.000 0.212 380 D C 0.444 176.912 176.300 0.281 0.000 0.963 380 D CA 1.340 55.481 54.000 0.234 0.000 0.864 380 D CB 0.211 41.092 40.800 0.134 0.000 1.009 380 D HN 0.390 nan 8.370 nan 0.000 0.479 381 N N -0.195 118.662 118.700 0.262 0.000 2.461 381 N HA 0.007 4.747 4.740 -0.000 0.000 0.284 381 N C 0.068 175.777 175.510 0.331 0.000 1.049 381 N CA -0.332 52.886 53.050 0.280 0.000 0.889 381 N CB 1.536 40.156 38.487 0.221 0.000 1.365 381 N HN -0.167 nan 8.380 nan 0.000 0.499 382 F N 4.315 124.413 119.950 0.247 0.000 2.065 382 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 382 F C 1.683 177.615 175.800 0.219 0.000 1.112 382 F CA 1.641 59.788 58.000 0.246 0.000 1.212 382 F CB -0.133 38.986 39.000 0.199 0.000 0.975 382 F HN 0.613 nan 8.300 nan 0.000 0.476 383 F N 0.788 120.975 119.950 0.394 0.000 2.075 383 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 383 F C 2.368 178.228 175.800 0.099 0.000 1.113 383 F CA 1.838 59.989 58.000 0.251 0.000 1.218 383 F CB -1.044 38.081 39.000 0.208 0.000 0.984 383 F HN 0.012 nan 8.300 nan 0.000 0.472 384 A N -0.164 122.805 122.820 0.249 0.000 1.892 384 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 384 A C 2.090 179.611 177.584 -0.105 0.000 1.188 384 A CA 2.281 54.363 52.037 0.074 0.000 0.631 384 A CB -0.825 18.264 19.000 0.148 0.000 0.822 384 A HN 0.624 nan 8.150 nan 0.000 0.447 385 E N -1.675 118.477 120.200 -0.080 0.000 2.162 385 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 385 E C 1.990 178.514 176.600 -0.127 0.000 0.953 385 E CA 0.456 56.754 56.400 -0.170 0.000 0.849 385 E CB -0.100 29.544 29.700 -0.092 0.000 0.810 385 E HN 0.588 nan 8.360 nan 0.000 0.470 386 N N 1.348 119.953 118.700 -0.158 0.000 2.240 386 N HA -0.151 4.589 4.740 -0.000 0.000 0.187 386 N C 1.824 177.172 175.510 -0.269 0.000 1.042 386 N CA 1.291 54.198 53.050 -0.239 0.000 0.861 386 N CB 0.045 37.995 38.487 -0.895 0.000 1.026 386 N HN -0.074 nan 8.380 nan 0.000 0.441 387 E N 0.827 120.800 120.200 -0.378 0.000 2.097 387 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 387 E C 1.617 178.032 176.600 -0.308 0.000 1.000 387 E CA 1.604 57.853 56.400 -0.252 0.000 0.804 387 E CB -0.155 29.423 29.700 -0.203 0.000 0.740 387 E HN 0.512 nan 8.360 nan 0.000 0.454 388 Q N -0.332 119.221 119.800 -0.411 0.000 2.403 388 Q HA 0.255 4.595 4.340 -0.000 0.000 0.203 388 Q C 0.039 175.925 176.000 -0.190 0.000 0.932 388 Q CA 0.163 55.779 55.803 -0.312 0.000 0.945 388 Q CB 0.522 29.058 28.738 -0.336 0.000 1.045 388 Q HN 0.223 nan 8.270 nan 0.000 0.511 389 A N 1.188 123.917 122.820 -0.151 0.000 2.445 389 A HA 0.484 4.804 4.320 -0.000 0.000 0.242 389 A C -0.133 177.347 177.584 -0.173 0.000 1.075 389 A CA 0.169 52.101 52.037 -0.175 0.000 0.777 389 A CB 0.294 19.261 19.000 -0.055 0.000 1.013 389 A HN 0.276 nan 8.150 nan 0.000 0.493 390 A N 1.827 124.490 122.820 -0.263 0.000 2.357 390 A HA 0.697 5.017 4.320 -0.000 0.000 0.295 390 A C -0.812 176.660 177.584 -0.188 0.000 1.121 390 A CA -0.420 51.530 52.037 -0.146 0.000 0.742 390 A CB 0.395 19.308 19.000 -0.146 0.000 1.181 390 A HN 0.639 nan 8.150 nan 0.000 0.454 391 F N 0.884 120.843 119.950 0.014 0.000 2.458 391 F HA 0.681 5.208 4.527 -0.000 0.000 0.330 391 F C 0.349 176.114 175.800 -0.058 0.000 1.082 391 F CA -0.141 57.843 58.000 -0.026 0.000 0.995 391 F CB 2.003 40.931 39.000 -0.118 0.000 1.170 391 F HN 0.755 nan 8.300 nan 0.000 0.478 392 H N 2.956 121.878 119.070 -0.247 0.000 3.099 392 H HA 0.264 4.820 4.556 -0.000 0.000 0.342 392 H C -2.466 172.477 175.328 -0.642 0.000 1.054 392 H CA -1.741 53.900 56.048 -0.678 0.000 1.328 392 H CB 2.582 31.841 29.762 -0.838 0.000 1.876 392 H HN 0.180 nan 8.280 nan 0.000 0.495 393 P HA -0.048 nan 4.420 nan 0.000 0.225 393 P C 1.240 178.376 177.300 -0.272 0.000 1.148 393 P CA 1.454 64.232 63.100 -0.537 0.000 0.779 393 P CB 0.099 31.549 31.700 -0.416 0.000 0.780 394 G N -0.812 107.581 108.800 -0.678 0.000 2.471 394 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 394 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 394 G C 0.509 175.612 174.900 0.338 0.000 1.125 394 G CA 0.085 45.201 45.100 0.026 0.000 0.775 394 G HN 0.440 nan 8.290 nan 0.000 0.548 395 H N 0.815 120.003 119.070 0.196 0.000 3.216 395 H HA 0.338 4.894 4.556 -0.000 0.000 0.263 395 H C 0.587 176.014 175.328 0.164 0.000 1.601 395 H CA -0.785 55.347 56.048 0.140 0.000 1.509 395 H CB -0.145 29.665 29.762 0.080 0.000 1.759 395 H HN 0.383 nan 8.280 nan 0.000 0.533 396 I N -0.300 120.396 120.570 0.210 0.000 3.100 396 I HA 0.677 4.847 4.170 -0.000 0.000 0.312 396 I C -0.082 176.025 176.117 -0.016 0.000 1.063 396 I CA -1.390 59.960 61.300 0.083 0.000 1.031 396 I CB 1.810 39.750 38.000 -0.101 0.000 1.243 396 I HN 0.134 nan 8.210 nan 0.000 0.483 397 V N -2.107 117.784 119.914 -0.037 0.000 3.102 397 V HA 0.674 4.794 4.120 -0.000 0.000 0.312 397 V C -2.831 173.376 176.094 0.188 0.000 1.135 397 V CA -2.590 59.749 62.300 0.065 0.000 1.022 397 V CB 0.966 32.805 31.823 0.027 0.000 1.056 397 V HN 0.643 nan 8.190 nan 0.000 0.436 398 P HA 0.339 nan 4.420 nan 0.000 0.262 398 P C 0.916 178.215 177.300 -0.001 0.000 1.182 398 P CA 1.996 65.166 63.100 0.116 0.000 0.761 398 P CB 0.571 32.316 31.700 0.075 0.000 0.795 399 G N 1.697 110.446 108.800 -0.085 0.000 2.238 399 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 399 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 399 G C -0.208 174.609 174.900 -0.140 0.000 0.996 399 G CA -0.401 44.633 45.100 -0.111 0.000 0.632 399 G HN 0.453 nan 8.290 nan 0.000 0.503 400 L N -0.002 121.151 121.223 -0.116 0.000 2.303 400 L HA 0.923 5.263 4.340 -0.000 0.000 0.266 400 L C -0.417 176.394 176.870 -0.098 0.000 1.011 400 L CA -1.029 53.721 54.840 -0.150 0.000 0.818 400 L CB 2.038 43.941 42.059 -0.260 0.000 1.326 400 L HN 0.124 nan 8.230 nan 0.000 0.435 401 D N -0.850 119.475 120.400 -0.125 0.000 2.692 401 D HA 0.422 5.062 4.640 -0.000 0.000 0.290 401 D C -1.263 174.959 176.300 -0.130 0.000 1.281 401 D CA -0.368 53.516 54.000 -0.195 0.000 0.804 401 D CB 1.726 42.489 40.800 -0.062 0.000 1.331 401 D HN 0.122 nan 8.370 nan 0.000 0.432 402 F N -0.192 119.881 119.950 0.205 0.000 2.321 402 F HA 0.566 5.093 4.527 -0.000 0.000 0.318 402 F C 1.471 177.290 175.800 0.031 0.000 1.129 402 F CA -0.257 57.792 58.000 0.080 0.000 1.074 402 F CB 1.166 40.188 39.000 0.037 0.000 1.432 402 F HN 0.227 nan 8.300 nan 0.000 0.502 403 T N -3.314 111.334 114.554 0.157 0.000 2.804 403 T HA 0.301 4.651 4.350 -0.000 0.000 0.290 403 T C -0.081 174.651 174.700 0.053 0.000 1.099 403 T CA -0.977 61.196 62.100 0.122 0.000 1.011 403 T CB 1.259 70.175 68.868 0.079 0.000 1.291 403 T HN 0.342 nan 8.240 nan 0.000 0.523 404 N N 0.959 119.695 118.700 0.059 0.000 2.461 404 N HA 0.041 4.781 4.740 -0.000 0.000 0.188 404 N C 0.140 175.655 175.510 0.008 0.000 1.134 404 N CA 0.142 53.209 53.050 0.029 0.000 0.878 404 N CB -0.468 38.053 38.487 0.057 0.000 0.972 404 N HN 0.708 nan 8.380 nan 0.000 0.456 405 D N 2.387 122.781 120.400 -0.010 0.000 2.982 405 D HA -0.113 4.526 4.640 -0.000 0.000 0.222 405 D C -1.294 174.997 176.300 -0.014 0.000 1.124 405 D CA -0.661 53.352 54.000 0.022 0.000 0.810 405 D CB 1.132 41.888 40.800 -0.073 0.000 1.152 405 D HN 0.170 nan 8.370 nan 0.000 0.538 406 P HA -0.131 nan 4.420 nan 0.000 0.226 406 P C 1.558 178.877 177.300 0.031 0.000 1.153 406 P CA 0.264 63.384 63.100 0.033 0.000 0.777 406 P CB 0.392 32.109 31.700 0.029 0.000 0.794 407 L N -0.296 120.964 121.223 0.062 0.000 2.084 407 L HA 0.023 4.363 4.340 -0.000 0.000 0.202 407 L C 2.406 179.208 176.870 -0.115 0.000 1.074 407 L CA 1.245 56.121 54.840 0.060 0.000 0.757 407 L CB -1.590 40.588 42.059 0.198 0.000 0.918 407 L HN -0.179 nan 8.230 nan 0.000 0.444 408 L N -0.510 120.473 121.223 -0.400 0.000 2.079 408 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 408 L C 2.419 179.038 176.870 -0.419 0.000 1.081 408 L CA 1.761 56.138 54.840 -0.771 0.000 0.752 408 L CB -0.886 40.437 42.059 -1.226 0.000 0.896 408 L HN 0.378 nan 8.230 nan 0.000 0.433 409 Q N -0.139 119.492 119.800 -0.281 0.000 2.096 409 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 409 Q C 2.081 178.003 176.000 -0.130 0.000 0.982 409 Q CA 1.785 57.463 55.803 -0.208 0.000 0.850 409 Q CB -0.706 27.961 28.738 -0.117 0.000 0.901 409 Q HN 0.702 nan 8.270 nan 0.000 0.422 410 G N 0.130 108.887 108.800 -0.072 0.000 2.551 410 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 410 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 410 G C 1.501 176.429 174.900 0.046 0.000 1.137 410 G CA -0.074 45.032 45.100 0.011 0.000 0.798 410 G HN 0.220 nan 8.290 nan 0.000 0.536 411 R N -0.102 120.374 120.500 -0.040 0.000 2.096 411 R HA 0.047 4.387 4.340 -0.000 0.000 0.235 411 R C 2.436 178.803 176.300 0.111 0.000 1.127 411 R CA 0.746 56.873 56.100 0.044 0.000 0.968 411 R CB -0.414 29.870 30.300 -0.026 0.000 0.861 411 R HN 0.345 nan 8.270 nan 0.000 0.440 412 L N -0.384 120.803 121.223 -0.059 0.000 2.127 412 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 412 L C 2.264 179.267 176.870 0.221 0.000 1.089 412 L CA 1.149 55.971 54.840 -0.031 0.000 0.757 412 L CB -0.487 41.414 42.059 -0.264 0.000 0.899 412 L HN 0.160 nan 8.230 nan 0.000 0.434 413 F N 0.212 120.198 119.950 0.061 0.000 2.163 413 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 413 F C 2.774 178.627 175.800 0.087 0.000 1.094 413 F CA 1.544 59.580 58.000 0.059 0.000 1.290 413 F CB -0.206 38.807 39.000 0.022 0.000 1.017 413 F HN -0.021 nan 8.300 nan 0.000 0.483 414 S N -0.718 115.011 115.700 0.049 0.000 2.387 414 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 414 S C 1.988 176.498 174.600 -0.150 0.000 1.026 414 S CA 1.186 59.307 58.200 -0.131 0.000 0.972 414 S CB -0.862 62.304 63.200 -0.056 0.000 0.814 414 S HN 0.561 nan 8.310 nan 0.000 0.477 415 Y N 1.377 121.682 120.300 0.010 0.000 2.509 415 Y HA 0.029 4.579 4.550 -0.000 0.000 0.293 415 Y C 2.784 178.425 175.900 -0.432 0.000 1.133 415 Y CA 0.856 58.941 58.100 -0.024 0.000 1.283 415 Y CB -0.571 38.166 38.460 0.462 0.000 1.001 415 Y HN 0.267 nan 8.280 nan 0.000 0.555 416 T N -0.647 113.611 114.554 -0.493 0.000 2.852 416 T HA -0.156 4.194 4.350 -0.000 0.000 0.256 416 T C 1.386 175.902 174.700 -0.306 0.000 1.038 416 T CA 1.436 63.303 62.100 -0.388 0.000 1.141 416 T CB -0.360 68.321 68.868 -0.312 0.000 0.869 416 T HN 0.335 nan 8.240 nan 0.000 0.439 417 D N 0.979 121.134 120.400 -0.409 0.000 2.092 417 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 417 D C 2.260 178.413 176.300 -0.244 0.000 0.994 417 D CA 1.686 55.460 54.000 -0.377 0.000 0.828 417 D CB -0.522 39.865 40.800 -0.687 0.000 0.963 417 D HN 0.226 nan 8.370 nan 0.000 0.450 418 T N -1.202 113.204 114.554 -0.247 0.000 2.803 418 T HA -0.173 4.176 4.350 -0.000 0.000 0.269 418 T C 1.543 176.126 174.700 -0.195 0.000 1.052 418 T CA 1.467 63.458 62.100 -0.183 0.000 1.136 418 T CB -0.204 68.555 68.868 -0.181 0.000 0.864 418 T HN 0.168 nan 8.240 nan 0.000 0.467 419 Q N 0.151 119.766 119.800 -0.309 0.000 2.444 419 Q HA 0.220 4.559 4.340 -0.000 0.000 0.206 419 Q C 1.894 177.788 176.000 -0.177 0.000 0.948 419 Q CA 0.224 55.818 55.803 -0.348 0.000 0.946 419 Q CB -0.039 28.276 28.738 -0.704 0.000 1.027 419 Q HN 0.455 nan 8.270 nan 0.000 0.513 420 I N -0.003 120.510 120.570 -0.096 0.000 2.361 420 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 420 I C 2.061 178.175 176.117 -0.005 0.000 1.133 420 I CA 1.657 62.956 61.300 -0.003 0.000 1.413 420 I CB -1.216 36.789 38.000 0.008 0.000 1.073 420 I HN 0.272 nan 8.210 nan 0.000 0.424 421 S N 0.115 115.799 115.700 -0.027 0.000 2.468 421 S HA -0.024 4.446 4.470 -0.000 0.000 0.226 421 S C 2.173 176.764 174.600 -0.015 0.000 1.051 421 S CA -0.032 58.163 58.200 -0.009 0.000 0.943 421 S CB -0.184 63.014 63.200 -0.003 0.000 0.810 421 S HN 0.273 nan 8.310 nan 0.000 0.509 422 R N 0.878 121.351 120.500 -0.044 0.000 2.073 422 R HA 0.159 4.499 4.340 -0.000 0.000 0.234 422 R C 1.273 177.552 176.300 -0.036 0.000 1.134 422 R CA 1.551 57.625 56.100 -0.043 0.000 0.952 422 R CB -0.273 29.981 30.300 -0.077 0.000 0.850 422 R HN 0.449 nan 8.270 nan 0.000 0.433 423 L N -0.358 120.831 121.223 -0.055 0.000 2.818 423 L HA 0.311 4.651 4.340 -0.000 0.000 0.243 423 L C 0.762 177.647 176.870 0.025 0.000 1.185 423 L CA 0.223 55.049 54.840 -0.022 0.000 0.988 423 L CB 0.976 43.013 42.059 -0.037 0.000 1.292 423 L HN 0.566 nan 8.230 nan 0.000 0.519 424 G N 0.261 109.076 108.800 0.024 0.000 2.166 424 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.260 424 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.260 424 G C 0.483 175.422 174.900 0.064 0.000 0.986 424 G CA 0.236 45.361 45.100 0.040 0.000 0.683 424 G HN 0.786 nan 8.290 nan 0.000 0.527 425 G N -1.978 106.879 108.800 0.094 0.000 2.341 425 G HA2 0.596 4.556 3.960 -0.000 0.000 0.293 425 G HA3 0.596 4.556 3.960 -0.000 0.000 0.293 425 G C -2.060 172.965 174.900 0.208 0.000 1.298 425 G CA 0.317 45.487 45.100 0.117 0.000 0.868 425 G HN 0.396 nan 8.290 nan 0.000 0.540 426 P HA 0.098 nan 4.420 nan 0.000 0.245 426 P C 0.433 177.762 177.300 0.049 0.000 1.206 426 P CA 0.393 63.589 63.100 0.161 0.000 0.781 426 P CB 0.227 31.982 31.700 0.092 0.000 0.994 427 N N 0.388 119.115 118.700 0.046 0.000 2.322 427 N HA 0.047 4.787 4.740 -0.000 0.000 0.216 427 N C 1.067 176.451 175.510 -0.209 0.000 1.144 427 N CA -0.136 52.851 53.050 -0.105 0.000 0.830 427 N CB -0.699 37.748 38.487 -0.066 0.000 1.034 427 N HN 0.271 nan 8.380 nan 0.000 0.484 428 F N 0.816 120.744 119.950 -0.036 0.000 2.333 428 F HA -0.102 4.424 4.527 -0.000 0.000 0.300 428 F C 2.186 177.924 175.800 -0.104 0.000 1.083 428 F CA 0.841 58.796 58.000 -0.074 0.000 1.395 428 F CB -0.769 38.207 39.000 -0.041 0.000 1.056 428 F HN 0.179 nan 8.300 nan 0.000 0.529 429 H N 0.437 119.173 119.070 -0.557 0.000 2.546 429 H HA 0.059 4.615 4.556 -0.000 0.000 0.277 429 H C 0.858 176.032 175.328 -0.256 0.000 1.004 429 H CA 1.334 57.124 56.048 -0.430 0.000 1.231 429 H CB -0.753 28.619 29.762 -0.650 0.000 1.382 429 H HN 0.539 nan 8.280 nan 0.000 0.580 430 E N 0.992 120.779 120.200 -0.688 0.000 2.447 430 E HA 0.181 4.531 4.350 -0.000 0.000 0.195 430 E C 0.370 176.853 176.600 -0.195 0.000 1.028 430 E CA -0.270 55.881 56.400 -0.414 0.000 0.876 430 E CB 0.544 30.009 29.700 -0.392 0.000 0.885 430 E HN 0.425 nan 8.360 nan 0.000 0.500 431 I N 2.867 123.345 120.570 -0.154 0.000 2.668 431 I HA -0.052 4.118 4.170 -0.000 0.000 0.285 431 I C -1.556 174.500 176.117 -0.102 0.000 1.168 431 I CA -1.403 59.833 61.300 -0.106 0.000 1.424 431 I CB 0.502 38.453 38.000 -0.082 0.000 1.377 431 I HN -0.204 nan 8.210 nan 0.000 0.560 432 P HA -0.268 nan 4.420 nan 0.000 0.217 432 P C 1.742 178.971 177.300 -0.119 0.000 1.162 432 P CA 1.408 64.452 63.100 -0.093 0.000 0.901 432 P CB 0.163 31.815 31.700 -0.079 0.000 0.793 433 I N -0.848 119.625 120.570 -0.162 0.000 2.361 433 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 433 I C 1.368 177.406 176.117 -0.130 0.000 1.133 433 I CA 1.721 62.876 61.300 -0.241 0.000 1.413 433 I CB -0.658 37.091 38.000 -0.419 0.000 1.073 433 I HN -0.097 nan 8.210 nan 0.000 0.424 434 N N 0.739 119.382 118.700 -0.096 0.000 2.446 434 N HA 0.013 4.753 4.740 -0.000 0.000 0.179 434 N C 0.297 175.811 175.510 0.006 0.000 1.054 434 N CA 0.257 53.278 53.050 -0.048 0.000 0.905 434 N CB -0.178 38.299 38.487 -0.017 0.000 0.973 434 N HN 0.385 nan 8.380 nan 0.000 0.448 435 R N 1.672 122.173 120.500 0.001 0.000 2.522 435 R HA 0.146 4.486 4.340 -0.000 0.000 0.284 435 R C -2.233 174.125 176.300 0.096 0.000 1.032 435 R CA -1.214 54.892 56.100 0.009 0.000 1.049 435 R CB -0.157 30.136 30.300 -0.013 0.000 0.956 435 R HN 0.023 nan 8.270 nan 0.000 0.422 436 P HA -0.049 nan 4.420 nan 0.000 0.268 436 P C 0.589 177.960 177.300 0.119 0.000 1.208 436 P CA 0.247 63.420 63.100 0.121 0.000 0.777 436 P CB 0.667 32.400 31.700 0.056 0.000 0.875 437 T N -2.653 111.982 114.554 0.135 0.000 3.060 437 T HA 0.087 4.437 4.350 -0.000 0.000 0.249 437 T C 0.822 175.567 174.700 0.075 0.000 1.079 437 T CA -0.051 62.088 62.100 0.065 0.000 1.013 437 T CB -0.990 67.896 68.868 0.029 0.000 0.975 437 T HN 0.549 nan 8.240 nan 0.000 0.518 438 C N 1.082 120.441 119.300 0.098 0.000 2.345 438 C HA 0.784 5.244 4.460 -0.000 0.000 0.369 438 C C -2.458 172.591 174.990 0.098 0.000 1.273 438 C CA -2.508 56.565 59.018 0.092 0.000 2.310 438 C CB 0.012 27.811 27.740 0.099 0.000 2.219 438 C HN 0.162 nan 8.230 nan 0.000 0.587 439 P HA 0.294 nan 4.420 nan 0.000 0.268 439 P C -1.227 176.151 177.300 0.131 0.000 1.205 439 P CA 0.412 63.584 63.100 0.119 0.000 0.771 439 P CB -0.041 31.769 31.700 0.184 0.000 0.858 440 Y N 0.850 121.058 120.300 -0.153 0.000 2.361 440 Y HA 0.625 5.175 4.550 -0.000 0.000 0.328 440 Y C -1.506 174.095 175.900 -0.498 0.000 1.044 440 Y CA -0.897 57.087 58.100 -0.193 0.000 1.085 440 Y CB 1.222 39.583 38.460 -0.164 0.000 1.194 440 Y HN 0.426 nan 8.280 nan 0.000 0.438 441 H N 4.054 123.019 119.070 -0.175 0.000 2.856 441 H HA 0.557 5.113 4.556 -0.000 0.000 0.355 441 H C -1.121 174.095 175.328 -0.187 0.000 1.079 441 H CA -0.746 55.128 56.048 -0.290 0.000 1.240 441 H CB 1.685 31.307 29.762 -0.234 0.000 1.701 441 H HN 0.891 nan 8.280 nan 0.000 0.527 442 N N 0.431 119.030 118.700 -0.167 0.000 3.378 442 N HA 0.174 4.914 4.740 -0.000 0.000 0.294 442 N C -1.210 174.085 175.510 -0.358 0.000 1.544 442 N CA -0.922 51.998 53.050 -0.218 0.000 0.872 442 N CB 0.610 39.111 38.487 0.023 0.000 1.670 442 N HN 0.289 nan 8.380 nan 0.000 0.551 443 F N -0.408 119.581 119.950 0.064 0.000 2.641 443 F HA 0.366 4.893 4.527 -0.000 0.000 0.302 443 F C 0.395 176.235 175.800 0.066 0.000 1.098 443 F CA -0.353 57.680 58.000 0.055 0.000 1.318 443 F CB 0.140 39.166 39.000 0.044 0.000 1.035 443 F HN 0.142 nan 8.300 nan 0.000 0.551 444 Q N 1.680 121.584 119.800 0.172 0.000 2.314 444 Q HA 0.407 4.747 4.340 -0.000 0.000 0.258 444 Q C 0.086 176.159 176.000 0.121 0.000 0.954 444 Q CA -0.060 55.823 55.803 0.134 0.000 0.890 444 Q CB 1.094 29.887 28.738 0.091 0.000 1.210 444 Q HN 0.110 nan 8.270 nan 0.000 0.410 445 R N 1.697 122.263 120.500 0.110 0.000 2.836 445 R HA 0.375 4.715 4.340 -0.000 0.000 0.269 445 R C -0.592 175.756 176.300 0.079 0.000 1.010 445 R CA -0.659 55.498 56.100 0.094 0.000 0.930 445 R CB 1.178 31.536 30.300 0.096 0.000 1.218 445 R HN 0.712 nan 8.270 nan 0.000 0.473 446 D N -0.280 120.159 120.400 0.065 0.000 3.439 446 D HA -0.171 4.469 4.640 -0.000 0.000 0.238 446 D C 0.386 176.719 176.300 0.056 0.000 1.727 446 D CA 1.967 55.998 54.000 0.052 0.000 1.145 446 D CB -1.076 39.753 40.800 0.049 0.000 0.764 446 D HN 0.906 nan 8.370 nan 0.000 0.938 447 G N -1.533 107.297 108.800 0.051 0.000 2.690 447 G HA2 0.238 4.198 3.960 -0.000 0.000 0.686 447 G HA3 0.238 4.198 3.960 -0.000 0.000 0.686 447 G C -0.373 174.560 174.900 0.055 0.000 1.277 447 G CA 0.007 45.141 45.100 0.056 0.000 0.799 447 G HN 0.780 nan 8.290 nan 0.000 0.613 448 M N 0.995 120.633 119.600 0.065 0.000 2.249 448 M HA 0.502 4.982 4.480 -0.000 0.000 0.340 448 M C 1.072 177.449 176.300 0.127 0.000 1.166 448 M CA 1.068 56.415 55.300 0.078 0.000 1.115 448 M CB -0.501 32.147 32.600 0.079 0.000 1.606 448 M HN 1.549 nan 8.290 nan 0.000 0.448 449 H N 0.957 120.031 119.070 0.007 0.000 2.604 449 H HA -0.195 4.361 4.556 -0.000 0.000 0.321 449 H C -0.713 174.607 175.328 -0.013 0.000 1.132 449 H CA 0.672 56.720 56.048 0.000 0.000 1.129 449 H CB -0.599 29.165 29.762 0.003 0.000 1.526 449 H HN 0.616 nan 8.280 nan 0.000 0.415 450 R N 1.761 122.284 120.500 0.038 0.000 2.370 450 R HA 0.060 4.400 4.340 -0.000 0.000 0.309 450 R C 0.908 177.215 176.300 0.011 0.000 1.059 450 R CA 0.031 56.148 56.100 0.029 0.000 0.981 450 R CB 0.298 30.609 30.300 0.018 0.000 0.972 450 R HN 0.416 nan 8.270 nan 0.000 0.437 451 M N 2.625 122.244 119.600 0.032 0.000 2.412 451 M HA 0.215 4.695 4.480 -0.000 0.000 0.263 451 M C 0.944 177.246 176.300 0.003 0.000 1.122 451 M CA 0.994 56.309 55.300 0.024 0.000 1.179 451 M CB -0.835 31.787 32.600 0.038 0.000 1.335 451 M HN 0.711 nan 8.290 nan 0.000 0.465 452 G N 2.059 110.864 108.800 0.009 0.000 2.313 452 G HA2 0.357 4.316 3.960 -0.000 0.000 0.250 452 G HA3 0.357 4.316 3.960 -0.000 0.000 0.250 452 G C -0.342 174.554 174.900 -0.006 0.000 1.281 452 G CA -0.325 44.775 45.100 -0.000 0.000 0.917 452 G HN 0.321 nan 8.290 nan 0.000 0.501 453 I N 2.987 123.546 120.570 -0.017 0.000 2.306 453 I HA 0.104 4.274 4.170 -0.000 0.000 0.288 453 I C -0.239 175.868 176.117 -0.017 0.000 1.036 453 I CA -0.530 60.763 61.300 -0.012 0.000 1.221 453 I CB 0.949 38.942 38.000 -0.013 0.000 1.385 453 I HN 0.360 nan 8.210 nan 0.000 0.472 454 D N 4.670 125.064 120.400 -0.009 0.000 2.351 454 D HA 0.088 4.728 4.640 -0.000 0.000 0.251 454 D C 1.127 177.427 176.300 0.000 0.000 1.137 454 D CA 0.227 54.220 54.000 -0.012 0.000 0.879 454 D CB 1.900 42.699 40.800 -0.002 0.000 1.181 454 D HN 0.565 nan 8.370 nan 0.000 0.448 455 T N -0.968 113.583 114.554 -0.005 0.000 3.023 455 T HA -0.038 4.312 4.350 -0.000 0.000 0.253 455 T C 0.801 175.508 174.700 0.012 0.000 1.038 455 T CA -0.538 61.563 62.100 0.002 0.000 0.962 455 T CB 0.194 69.057 68.868 -0.008 0.000 1.018 455 T HN 0.116 nan 8.240 nan 0.000 0.521 456 N N 3.406 122.114 118.700 0.013 0.000 2.412 456 N HA 0.098 4.838 4.740 -0.000 0.000 0.258 456 N C -1.537 174.008 175.510 0.058 0.000 1.236 456 N CA -1.510 51.559 53.050 0.033 0.000 0.882 456 N CB 1.498 40.001 38.487 0.027 0.000 1.066 456 N HN 0.062 nan 8.380 nan 0.000 0.465 457 P HA -0.028 nan 4.420 nan 0.000 0.218 457 P C -0.449 176.907 177.300 0.094 0.000 1.148 457 P CA 0.946 64.088 63.100 0.070 0.000 0.822 457 P CB 0.165 31.902 31.700 0.063 0.000 0.784 458 A N 0.770 123.637 122.820 0.077 0.000 2.306 458 A HA 0.416 4.736 4.320 -0.000 0.000 0.314 458 A C 0.475 178.162 177.584 0.172 0.000 1.164 458 A CA -0.662 51.383 52.037 0.014 0.000 0.822 458 A CB -0.018 18.848 19.000 -0.225 0.000 1.130 458 A HN 0.292 nan 8.150 nan 0.000 0.496 459 N N 0.173 119.005 118.700 0.219 0.000 2.416 459 N HA 0.386 5.125 4.740 -0.000 0.000 0.267 459 N C -0.968 174.711 175.510 0.281 0.000 1.294 459 N CA -0.363 52.902 53.050 0.358 0.000 0.891 459 N CB 0.346 38.994 38.487 0.268 0.000 1.238 459 N HN 0.687 nan 8.380 nan 0.000 0.508 460 Y N -1.233 118.953 120.300 -0.190 0.000 2.656 460 Y HA 0.662 5.212 4.550 -0.000 0.000 0.334 460 Y C -1.568 173.734 175.900 -0.997 0.000 1.179 460 Y CA -1.356 56.447 58.100 -0.494 0.000 1.050 460 Y CB 0.959 39.289 38.460 -0.216 0.000 1.308 460 Y HN 0.085 nan 8.280 nan 0.000 0.456 461 E N 0.724 120.488 120.200 -0.726 0.000 2.356 461 E HA 0.642 4.992 4.350 -0.000 0.000 0.275 461 E C -3.200 173.303 176.600 -0.162 0.000 0.904 461 E CA -2.020 54.036 56.400 -0.574 0.000 0.757 461 E CB 1.649 30.934 29.700 -0.692 0.000 1.232 461 E HN 0.575 nan 8.360 nan 0.000 0.442 462 P HA 0.261 nan 4.420 nan 0.000 0.275 462 P C -1.261 176.009 177.300 -0.050 0.000 1.227 462 P CA -0.376 62.664 63.100 -0.099 0.000 0.781 462 P CB 0.458 32.130 31.700 -0.047 0.000 0.906 463 N N -1.045 117.545 118.700 -0.183 0.000 2.262 463 N HA 0.360 5.100 4.740 -0.000 0.000 0.295 463 N C 0.345 175.813 175.510 -0.069 0.000 1.161 463 N CA -0.769 52.185 53.050 -0.159 0.000 0.767 463 N CB 1.549 39.667 38.487 -0.615 0.000 1.499 463 N HN 0.194 nan 8.380 nan 0.000 0.476 464 S N 0.699 116.404 115.700 0.009 0.000 2.497 464 S HA -0.008 4.462 4.470 -0.000 0.000 0.218 464 S C 1.600 176.214 174.600 0.022 0.000 1.023 464 S CA 0.003 58.208 58.200 0.007 0.000 0.913 464 S CB -0.804 62.411 63.200 0.025 0.000 0.800 464 S HN 0.715 nan 8.310 nan 0.000 0.505 465 I N -0.329 120.265 120.570 0.039 0.000 2.756 465 I HA 0.147 4.317 4.170 -0.000 0.000 0.262 465 I C 1.324 177.471 176.117 0.051 0.000 1.225 465 I CA 1.462 62.794 61.300 0.053 0.000 1.472 465 I CB -0.408 37.642 38.000 0.084 0.000 1.094 465 I HN 0.216 nan 8.210 nan 0.000 0.454 466 N N 1.031 119.758 118.700 0.045 0.000 2.299 466 N HA 0.035 4.775 4.740 -0.000 0.000 0.246 466 N C -0.093 175.510 175.510 0.155 0.000 1.254 466 N CA -0.067 53.047 53.050 0.106 0.000 0.879 466 N CB 0.041 38.602 38.487 0.122 0.000 1.214 466 N HN 0.214 nan 8.380 nan 0.000 0.510 467 D N 0.801 121.244 120.400 0.072 0.000 2.708 467 D HA -0.254 4.386 4.640 -0.000 0.000 0.236 467 D C -0.045 176.145 176.300 -0.184 0.000 1.146 467 D CA 1.041 55.046 54.000 0.007 0.000 0.662 467 D CB -1.390 39.485 40.800 0.125 0.000 1.059 467 D HN 0.475 nan 8.370 nan 0.000 0.428 468 N N -1.699 116.918 118.700 -0.138 0.000 2.778 468 N HA -0.251 4.489 4.740 -0.000 0.000 0.249 468 N C -0.728 174.702 175.510 -0.133 0.000 1.069 468 N CA 1.428 54.370 53.050 -0.179 0.000 0.831 468 N CB -1.252 37.076 38.487 -0.266 0.000 1.142 468 N HN 0.558 nan 8.380 nan 0.000 0.573 469 W N 0.964 122.311 121.300 0.078 0.000 2.313 469 W HA 0.412 5.072 4.660 -0.000 0.000 0.328 469 W C -1.662 174.883 176.519 0.044 0.000 1.197 469 W CA -1.628 55.743 57.345 0.044 0.000 1.235 469 W CB 0.554 29.993 29.460 -0.035 0.000 1.158 469 W HN -0.033 nan 8.180 nan 0.000 0.578 470 P HA 0.186 nan 4.420 nan 0.000 0.275 470 P C -0.723 176.711 177.300 0.222 0.000 1.227 470 P CA -0.132 63.102 63.100 0.222 0.000 0.781 470 P CB 0.889 32.577 31.700 -0.020 0.000 0.906 471 R N 1.526 122.139 120.500 0.189 0.000 2.486 471 R HA 0.312 4.652 4.340 -0.000 0.000 0.286 471 R C 0.454 176.793 176.300 0.066 0.000 0.999 471 R CA -0.775 55.321 56.100 -0.007 0.000 0.993 471 R CB 0.945 31.035 30.300 -0.350 0.000 1.084 471 R HN 0.486 nan 8.270 nan 0.000 0.487 472 E N 0.703 120.927 120.200 0.040 0.000 2.418 472 E HA 0.020 4.370 4.350 -0.000 0.000 0.261 472 E C -0.530 176.095 176.600 0.043 0.000 1.070 472 E CA 0.655 57.088 56.400 0.055 0.000 0.931 472 E CB 0.674 30.395 29.700 0.036 0.000 0.954 472 E HN 0.375 nan 8.360 nan 0.000 0.439 473 T N 3.469 118.059 114.554 0.060 0.000 2.879 473 T HA 0.333 4.683 4.350 -0.000 0.000 0.290 473 T C -2.452 172.274 174.700 0.044 0.000 0.993 473 T CA -1.567 60.566 62.100 0.056 0.000 0.975 473 T CB 1.463 70.376 68.868 0.075 0.000 0.981 473 T HN 0.242 nan 8.240 nan 0.000 0.439 474 P HA 0.238 nan 4.420 nan 0.000 0.269 474 P C -2.431 174.878 177.300 0.014 0.000 1.215 474 P CA -1.230 61.880 63.100 0.017 0.000 0.780 474 P CB -0.376 31.329 31.700 0.009 0.000 0.898 475 P HA 0.311 nan 4.420 nan 0.000 0.272 475 P C 0.003 177.294 177.300 -0.016 0.000 1.230 475 P CA 0.329 63.417 63.100 -0.020 0.000 0.788 475 P CB 0.666 32.334 31.700 -0.054 0.000 0.949 476 G N 0.316 109.103 108.800 -0.021 0.000 2.430 476 G HA2 0.365 4.325 3.960 -0.000 0.000 0.300 476 G HA3 0.365 4.325 3.960 -0.000 0.000 0.300 476 G C -2.606 172.283 174.900 -0.018 0.000 1.330 476 G CA -0.711 44.380 45.100 -0.014 0.000 0.813 476 G HN 0.111 nan 8.290 nan 0.000 0.487 477 P HA 0.080 nan 4.420 nan 0.000 0.216 477 P C 0.286 177.581 177.300 -0.008 0.000 1.153 477 P CA 1.229 64.320 63.100 -0.015 0.000 0.848 477 P CB 0.161 31.855 31.700 -0.010 0.000 0.787 478 K N -1.563 118.839 120.400 0.003 0.000 2.502 478 K HA 0.399 4.719 4.320 -0.000 0.000 0.257 478 K C -0.233 176.382 176.600 0.025 0.000 0.938 478 K CA -0.876 55.419 56.287 0.014 0.000 0.819 478 K CB 1.932 34.442 32.500 0.016 0.000 1.333 478 K HN -0.302 nan 8.250 nan 0.000 0.434 479 R N -0.308 120.215 120.500 0.038 0.000 3.627 479 R HA -0.151 4.189 4.340 -0.000 0.000 0.281 479 R C -0.087 176.243 176.300 0.049 0.000 1.140 479 R CA 0.947 57.077 56.100 0.049 0.000 0.761 479 R CB -2.136 28.192 30.300 0.047 0.000 1.181 479 R HN 0.950 nan 8.270 nan 0.000 0.472 480 G N -0.844 107.981 108.800 0.042 0.000 2.491 480 G HA2 0.626 4.586 3.960 -0.000 0.000 0.327 480 G HA3 0.626 4.586 3.960 -0.000 0.000 0.327 480 G C 0.336 175.270 174.900 0.057 0.000 1.189 480 G CA 0.080 45.203 45.100 0.038 0.000 0.956 480 G HN 0.244 nan 8.290 nan 0.000 0.491 481 G N -1.177 107.659 108.800 0.059 0.000 2.569 481 G HA2 0.401 4.361 3.960 -0.000 0.000 0.249 481 G HA3 0.401 4.361 3.960 -0.000 0.000 0.249 481 G C -0.641 174.317 174.900 0.096 0.000 1.216 481 G CA -0.535 44.623 45.100 0.096 0.000 0.845 481 G HN 0.454 nan 8.290 nan 0.000 0.568 482 F N 0.440 120.407 119.950 0.029 0.000 2.467 482 F HA 0.358 4.885 4.527 -0.000 0.000 0.362 482 F C 0.591 176.408 175.800 0.027 0.000 1.090 482 F CA -0.106 57.907 58.000 0.022 0.000 1.202 482 F CB 0.826 39.842 39.000 0.027 0.000 1.113 482 F HN 0.429 nan 8.300 nan 0.000 0.541 483 E N 4.127 124.013 120.200 -0.524 0.000 2.246 483 E HA 0.296 4.646 4.350 -0.000 0.000 0.266 483 E C -1.112 175.202 176.600 -0.477 0.000 0.880 483 E CA -0.758 55.469 56.400 -0.288 0.000 0.762 483 E CB 1.509 31.113 29.700 -0.160 0.000 1.180 483 E HN 0.603 nan 8.360 nan 0.000 0.416 484 S N 2.657 118.282 115.700 -0.124 0.000 2.564 484 S HA 0.010 4.480 4.470 -0.000 0.000 0.278 484 S C -0.518 174.075 174.600 -0.011 0.000 1.333 484 S CA -0.348 57.854 58.200 0.003 0.000 1.048 484 S CB 0.132 63.452 63.200 0.200 0.000 0.900 484 S HN 0.467 nan 8.310 nan 0.000 0.505 485 Y N 2.632 122.872 120.300 -0.101 0.000 2.712 485 Y HA -0.020 4.530 4.550 -0.000 0.000 0.333 485 Y C 0.794 176.675 175.900 -0.031 0.000 1.225 485 Y CA 0.154 58.203 58.100 -0.086 0.000 1.499 485 Y CB 0.227 38.633 38.460 -0.091 0.000 1.288 485 Y HN 0.584 nan 8.280 nan 0.000 0.575 486 Q N 5.266 124.686 119.800 -0.635 0.000 3.181 486 Q HA 0.038 4.378 4.340 -0.000 0.000 0.293 486 Q C -0.284 175.391 176.000 -0.540 0.000 1.406 486 Q CA -0.104 55.435 55.803 -0.441 0.000 1.026 486 Q CB -0.155 28.406 28.738 -0.295 0.000 1.630 486 Q HN 0.642 nan 8.270 nan 0.000 0.553 487 E N 1.502 121.466 120.200 -0.394 0.000 2.414 487 E HA 0.005 4.355 4.350 -0.000 0.000 0.263 487 E C -0.239 176.319 176.600 -0.070 0.000 1.000 487 E CA -0.533 55.776 56.400 -0.150 0.000 0.914 487 E CB 0.665 30.427 29.700 0.104 0.000 0.948 487 E HN 0.124 nan 8.360 nan 0.000 0.444 488 R N 3.158 123.643 120.500 -0.025 0.000 2.389 488 R HA 0.207 4.547 4.340 -0.000 0.000 0.295 488 R C -1.497 174.823 176.300 0.034 0.000 1.075 488 R CA -0.204 55.895 56.100 -0.000 0.000 1.005 488 R CB 0.815 31.124 30.300 0.016 0.000 0.987 488 R HN 0.305 nan 8.270 nan 0.000 0.452 489 V N 5.158 125.086 119.914 0.023 0.000 2.448 489 V HA 0.413 4.533 4.120 -0.000 0.000 0.295 489 V C -0.515 175.593 176.094 0.023 0.000 1.025 489 V CA -0.556 61.763 62.300 0.032 0.000 0.859 489 V CB 1.608 33.446 31.823 0.026 0.000 0.988 489 V HN 0.825 nan 8.190 nan 0.000 0.431 490 E N 2.963 123.179 120.200 0.028 0.000 2.317 490 E HA 0.681 5.031 4.350 -0.000 0.000 0.270 490 E C -0.166 176.443 176.600 0.015 0.000 0.899 490 E CA -0.400 56.010 56.400 0.018 0.000 0.814 490 E CB 2.236 31.946 29.700 0.018 0.000 1.296 490 E HN 0.967 nan 8.360 nan 0.000 0.404 491 G N 2.387 111.190 108.800 0.006 0.000 2.338 491 G HA2 0.158 4.118 3.960 -0.000 0.000 0.295 491 G HA3 0.158 4.118 3.960 -0.000 0.000 0.295 491 G C -1.420 173.477 174.900 -0.006 0.000 1.461 491 G CA -1.025 44.075 45.100 -0.000 0.000 0.817 491 G HN 0.336 nan 8.290 nan 0.000 0.556 492 N N -0.062 118.632 118.700 -0.011 0.000 2.463 492 N HA 0.422 5.162 4.740 -0.000 0.000 0.270 492 N C -0.119 175.380 175.510 -0.019 0.000 1.205 492 N CA -0.444 52.598 53.050 -0.014 0.000 0.974 492 N CB 0.933 39.411 38.487 -0.016 0.000 1.197 492 N HN 0.413 nan 8.380 nan 0.000 0.504 493 K N 1.061 121.449 120.400 -0.020 0.000 2.294 493 K HA 0.172 4.492 4.320 -0.000 0.000 0.288 493 K C -0.728 175.852 176.600 -0.033 0.000 1.072 493 K CA -0.185 56.087 56.287 -0.025 0.000 0.960 493 K CB -0.278 32.208 32.500 -0.024 0.000 1.043 493 K HN 0.346 nan 8.250 nan 0.000 0.455 494 V N 0.249 120.139 119.914 -0.040 0.000 2.962 494 V HA 0.495 4.615 4.120 -0.000 0.000 0.313 494 V C -0.434 175.621 176.094 -0.065 0.000 1.099 494 V CA -1.328 60.943 62.300 -0.048 0.000 0.971 494 V CB 2.052 33.848 31.823 -0.046 0.000 1.028 494 V HN 0.592 nan 8.190 nan 0.000 0.430 495 R N 2.183 122.639 120.500 -0.072 0.000 2.522 495 R HA 0.576 4.916 4.340 -0.000 0.000 0.290 495 R C -0.511 175.740 176.300 -0.083 0.000 1.216 495 R CA -0.114 55.929 56.100 -0.094 0.000 1.250 495 R CB 0.736 30.966 30.300 -0.116 0.000 1.143 495 R HN 0.936 nan 8.270 nan 0.000 0.553 496 E N 1.760 121.908 120.200 -0.087 0.000 2.343 496 E HA 0.253 4.603 4.350 -0.000 0.000 0.278 496 E C -1.239 175.290 176.600 -0.117 0.000 0.910 496 E CA -1.040 55.310 56.400 -0.083 0.000 0.757 496 E CB 1.694 31.352 29.700 -0.069 0.000 1.218 496 E HN 0.097 nan 8.360 nan 0.000 0.435 497 R N 1.514 121.947 120.500 -0.112 0.000 2.438 497 R HA 0.219 4.559 4.340 -0.000 0.000 0.287 497 R C -0.569 175.604 176.300 -0.211 0.000 1.077 497 R CA 0.077 56.067 56.100 -0.183 0.000 1.034 497 R CB 1.199 31.447 30.300 -0.088 0.000 0.993 497 R HN 0.377 nan 8.270 nan 0.000 0.459 498 S N 4.870 120.335 115.700 -0.392 0.000 2.533 498 S HA 0.132 4.602 4.470 -0.000 0.000 0.282 498 S C -1.520 173.039 174.600 -0.067 0.000 1.304 498 S CA -1.262 56.800 58.200 -0.230 0.000 1.063 498 S CB 0.668 63.680 63.200 -0.313 0.000 0.881 498 S HN 0.534 nan 8.310 nan 0.000 0.493 499 P HA -0.131 nan 4.420 nan 0.000 0.217 499 P C 1.562 178.909 177.300 0.079 0.000 1.148 499 P CA 1.408 64.527 63.100 0.031 0.000 0.828 499 P CB -0.173 31.538 31.700 0.020 0.000 0.783 500 S N -1.991 113.796 115.700 0.145 0.000 2.469 500 S HA -0.127 4.343 4.470 -0.000 0.000 0.238 500 S C 1.460 176.216 174.600 0.260 0.000 0.998 500 S CA 0.912 59.229 58.200 0.195 0.000 0.957 500 S CB -1.405 61.945 63.200 0.250 0.000 0.764 500 S HN -0.022 nan 8.310 nan 0.000 0.514 501 F N 2.194 122.129 119.950 -0.024 0.000 2.789 501 F HA 0.387 4.914 4.527 -0.000 0.000 0.300 501 F C 1.982 177.704 175.800 -0.130 0.000 1.132 501 F CA -0.865 57.111 58.000 -0.039 0.000 1.404 501 F CB -0.723 38.286 39.000 0.015 0.000 1.114 501 F HN 0.345 nan 8.300 nan 0.000 0.584 502 G N 0.543 109.341 108.800 -0.005 0.000 3.471 502 G HA2 0.066 4.026 3.960 -0.000 0.000 0.254 502 G HA3 0.066 4.026 3.960 -0.000 0.000 0.254 502 G C 0.002 174.479 174.900 -0.704 0.000 1.199 502 G CA 0.121 45.039 45.100 -0.304 0.000 1.683 502 G HN 0.044 nan 8.290 nan 0.000 0.625 503 E N 0.179 119.893 120.200 -0.811 0.000 2.260 503 E HA 0.317 4.667 4.350 -0.000 0.000 0.266 503 E C -0.862 175.310 176.600 -0.714 0.000 0.887 503 E CA -0.768 55.237 56.400 -0.658 0.000 0.777 503 E CB 1.455 31.011 29.700 -0.240 0.000 1.205 503 E HN 0.240 nan 8.360 nan 0.000 0.414 504 Y N 2.705 122.790 120.300 -0.359 0.000 2.471 504 Y HA 0.188 4.738 4.550 -0.000 0.000 0.249 504 Y C 0.688 176.331 175.900 -0.429 0.000 1.116 504 Y CA -0.122 57.692 58.100 -0.477 0.000 1.240 504 Y CB 0.401 38.428 38.460 -0.723 0.000 1.251 504 Y HN 0.429 nan 8.280 nan 0.000 0.527 505 Y N -1.350 119.037 120.300 0.145 0.000 2.483 505 Y HA 0.077 4.627 4.550 -0.000 0.000 0.258 505 Y C 2.424 178.385 175.900 0.102 0.000 1.083 505 Y CA 0.159 58.338 58.100 0.131 0.000 1.283 505 Y CB -0.403 38.141 38.460 0.139 0.000 1.178 505 Y HN 0.062 nan 8.280 nan 0.000 0.515 506 S N -0.648 115.184 115.700 0.220 0.000 2.383 506 S HA -0.191 4.279 4.470 -0.000 0.000 0.227 506 S C 1.627 176.293 174.600 0.110 0.000 1.026 506 S CA 1.452 59.758 58.200 0.177 0.000 0.981 506 S CB -0.790 62.519 63.200 0.182 0.000 0.818 506 S HN 0.537 nan 8.310 nan 0.000 0.472 507 H N 2.446 121.427 119.070 -0.149 0.000 2.357 507 H HA 0.049 4.604 4.556 -0.000 0.000 0.301 507 H C -0.468 174.657 175.328 -0.338 0.000 1.082 507 H CA 1.430 57.232 56.048 -0.409 0.000 1.342 507 H CB -1.329 27.940 29.762 -0.821 0.000 1.389 507 H HN 0.413 nan 8.280 nan 0.000 0.511 508 P HA -0.184 nan 4.420 nan 0.000 0.215 508 P C 1.659 179.138 177.300 0.298 0.000 1.157 508 P CA 1.528 64.781 63.100 0.255 0.000 0.874 508 P CB -0.120 31.752 31.700 0.287 0.000 0.790 509 R N -0.467 120.160 120.500 0.211 0.000 2.081 509 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 509 R C 2.147 178.569 176.300 0.203 0.000 1.131 509 R CA 1.166 57.393 56.100 0.212 0.000 0.960 509 R CB -1.049 29.340 30.300 0.149 0.000 0.856 509 R HN 0.067 nan 8.270 nan 0.000 0.436 510 L N 0.456 121.744 121.223 0.108 0.000 2.017 510 L HA -0.141 4.198 4.340 -0.000 0.000 0.208 510 L C 1.969 178.886 176.870 0.079 0.000 1.073 510 L CA 1.762 56.628 54.840 0.043 0.000 0.745 510 L CB -0.789 41.224 42.059 -0.077 0.000 0.894 510 L HN 0.228 nan 8.230 nan 0.000 0.432 511 F N -0.695 119.273 119.950 0.030 0.000 2.069 511 F HA -0.288 4.239 4.527 -0.000 0.000 0.298 511 F C 2.364 178.162 175.800 -0.004 0.000 1.113 511 F CA 2.269 60.258 58.000 -0.018 0.000 1.214 511 F CB -0.678 38.330 39.000 0.013 0.000 0.978 511 F HN 0.386 nan 8.300 nan 0.000 0.474 512 W N 1.443 122.706 121.300 -0.062 0.000 2.317 512 W HA -0.268 4.392 4.660 -0.000 0.000 0.318 512 W C 1.741 178.129 176.519 -0.219 0.000 1.227 512 W CA 1.952 59.216 57.345 -0.136 0.000 1.269 512 W CB -0.731 28.745 29.460 0.028 0.000 1.155 512 W HN 0.086 nan 8.180 nan 0.000 0.484 513 L N 1.124 122.281 121.223 -0.112 0.000 2.465 513 L HA -0.125 4.215 4.340 -0.000 0.000 0.224 513 L C 2.191 178.872 176.870 -0.314 0.000 1.145 513 L CA 0.867 55.558 54.840 -0.250 0.000 0.834 513 L CB -0.620 41.416 42.059 -0.038 0.000 0.944 513 L HN -0.131 nan 8.230 nan 0.000 0.451 514 S N -1.498 113.994 115.700 -0.347 0.000 2.575 514 S HA 0.078 4.548 4.470 -0.000 0.000 0.215 514 S C 0.697 175.016 174.600 -0.469 0.000 0.966 514 S CA -0.007 57.990 58.200 -0.340 0.000 0.911 514 S CB 0.064 63.096 63.200 -0.281 0.000 0.780 514 S HN 0.289 nan 8.310 nan 0.000 0.514 515 Q N 2.228 121.648 119.800 -0.632 0.000 2.227 515 Q HA 0.308 4.648 4.340 -0.000 0.000 0.245 515 Q C 0.568 176.185 176.000 -0.638 0.000 0.926 515 Q CA -0.145 55.248 55.803 -0.684 0.000 0.895 515 Q CB 0.599 28.858 28.738 -0.797 0.000 1.230 515 Q HN 0.416 nan 8.270 nan 0.000 0.450 516 T N -1.787 112.352 114.554 -0.693 0.000 2.766 516 T HA 0.156 4.506 4.350 -0.000 0.000 0.295 516 T C -1.715 172.527 174.700 -0.763 0.000 1.024 516 T CA -1.300 60.360 62.100 -0.733 0.000 1.018 516 T CB 0.338 68.550 68.868 -1.093 0.000 1.002 516 T HN 0.225 nan 8.240 nan 0.000 0.532 517 P HA -0.049 nan 4.420 nan 0.000 0.215 517 P C 1.407 178.486 177.300 -0.368 0.000 1.153 517 P CA 1.137 64.013 63.100 -0.375 0.000 0.853 517 P CB -0.283 31.318 31.700 -0.166 0.000 0.788 518 F N -0.030 119.717 119.950 -0.339 0.000 2.325 518 F HA 0.067 4.594 4.527 -0.000 0.000 0.299 518 F C 1.756 177.165 175.800 -0.651 0.000 1.090 518 F CA 0.761 58.488 58.000 -0.454 0.000 1.392 518 F CB -1.564 37.158 39.000 -0.463 0.000 1.053 518 F HN -0.091 nan 8.300 nan 0.000 0.521 519 E N 0.598 120.173 120.200 -1.041 0.000 2.107 519 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 519 E C 2.178 178.560 176.600 -0.363 0.000 0.982 519 E CA 1.208 57.238 56.400 -0.616 0.000 0.809 519 E CB -0.284 29.050 29.700 -0.610 0.000 0.756 519 E HN 0.614 nan 8.360 nan 0.000 0.459 520 Q N 0.500 120.011 119.800 -0.482 0.000 2.084 520 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 520 Q C 2.301 178.313 176.000 0.021 0.000 0.978 520 Q CA 1.044 56.604 55.803 -0.404 0.000 0.844 520 Q CB -0.162 28.064 28.738 -0.852 0.000 0.898 520 Q HN 0.140 nan 8.270 nan 0.000 0.426 521 R N 0.360 120.850 120.500 -0.018 0.000 2.091 521 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 521 R C 1.708 178.184 176.300 0.293 0.000 1.136 521 R CA 1.701 57.892 56.100 0.152 0.000 0.959 521 R CB -0.209 30.168 30.300 0.128 0.000 0.856 521 R HN 0.517 nan 8.270 nan 0.000 0.437 522 H N -0.412 118.743 119.070 0.141 0.000 2.423 522 H HA -0.055 4.500 4.556 -0.000 0.000 0.297 522 H C 2.220 177.653 175.328 0.176 0.000 1.075 522 H CA 1.161 57.308 56.048 0.165 0.000 1.342 522 H CB 0.049 29.916 29.762 0.174 0.000 1.395 522 H HN 0.222 nan 8.280 nan 0.000 0.530 523 I N 0.197 120.968 120.570 0.335 0.000 2.179 523 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 523 I C 2.327 178.708 176.117 0.440 0.000 1.088 523 I CA 0.773 62.300 61.300 0.378 0.000 1.357 523 I CB -0.174 38.147 38.000 0.535 0.000 1.051 523 I HN 0.074 nan 8.210 nan 0.000 0.409 524 V N 0.983 121.166 119.914 0.448 0.000 2.282 524 V HA -0.344 3.776 4.120 -0.000 0.000 0.249 524 V C 2.081 178.349 176.094 0.289 0.000 1.057 524 V CA 2.218 64.737 62.300 0.366 0.000 1.032 524 V CB -0.688 31.315 31.823 0.300 0.000 0.645 524 V HN 0.429 nan 8.190 nan 0.000 0.447 525 D N 0.297 120.849 120.400 0.252 0.000 2.144 525 D HA -0.103 4.536 4.640 -0.000 0.000 0.199 525 D C 2.148 178.524 176.300 0.127 0.000 0.984 525 D CA 1.550 55.666 54.000 0.194 0.000 0.834 525 D CB -0.615 40.301 40.800 0.194 0.000 0.955 525 D HN 0.489 nan 8.370 nan 0.000 0.465 526 G N 0.128 108.976 108.800 0.079 0.000 2.433 526 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 526 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 526 G C 1.455 176.340 174.900 -0.024 0.000 1.186 526 G CA 0.212 45.264 45.100 -0.081 0.000 0.779 526 G HN 0.155 nan 8.290 nan 0.000 0.543 527 F N 1.923 121.914 119.950 0.069 0.000 2.091 527 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 527 F C 3.190 178.918 175.800 -0.121 0.000 1.103 527 F CA 1.687 59.665 58.000 -0.037 0.000 1.228 527 F CB -0.471 38.515 39.000 -0.025 0.000 0.984 527 F HN 0.091 nan 8.300 nan 0.000 0.477 528 S N -0.159 115.639 115.700 0.163 0.000 2.356 528 S HA -0.215 4.255 4.470 -0.000 0.000 0.223 528 S C 1.876 176.494 174.600 0.030 0.000 1.032 528 S CA 1.299 59.541 58.200 0.070 0.000 1.005 528 S CB -0.850 62.412 63.200 0.104 0.000 0.867 528 S HN 0.390 nan 8.310 nan 0.000 0.449 529 F N 2.609 122.522 119.950 -0.062 0.000 2.075 529 F HA -0.134 4.393 4.527 -0.000 0.000 0.297 529 F C 2.406 178.144 175.800 -0.103 0.000 1.113 529 F CA 1.592 59.546 58.000 -0.077 0.000 1.218 529 F CB -0.281 38.620 39.000 -0.166 0.000 0.984 529 F HN 0.127 nan 8.300 nan 0.000 0.472 530 E N 0.528 120.717 120.200 -0.018 0.000 2.051 530 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 530 E C 2.350 178.747 176.600 -0.339 0.000 0.991 530 E CA 1.670 58.021 56.400 -0.082 0.000 0.799 530 E CB -0.551 29.223 29.700 0.124 0.000 0.748 530 E HN 0.478 nan 8.360 nan 0.000 0.449 531 L N 1.398 122.333 121.223 -0.479 0.000 2.275 531 L HA -0.115 4.225 4.340 -0.000 0.000 0.215 531 L C 2.672 179.376 176.870 -0.277 0.000 1.119 531 L CA 0.981 55.530 54.840 -0.486 0.000 0.790 531 L CB -0.433 41.357 42.059 -0.448 0.000 0.919 531 L HN 0.132 nan 8.230 nan 0.000 0.443 532 S N -0.679 114.871 115.700 -0.250 0.000 2.447 532 S HA -0.098 4.372 4.470 -0.000 0.000 0.233 532 S C 1.729 176.209 174.600 -0.200 0.000 1.006 532 S CA 0.568 58.645 58.200 -0.204 0.000 0.957 532 S CB -0.091 62.983 63.200 -0.210 0.000 0.773 532 S HN 0.281 nan 8.310 nan 0.000 0.507 533 K N 1.274 121.534 120.400 -0.232 0.000 2.404 533 K HA 0.332 4.652 4.320 -0.000 0.000 0.194 533 K C -0.071 176.520 176.600 -0.014 0.000 1.023 533 K CA -0.021 56.193 56.287 -0.123 0.000 1.094 533 K CB 0.024 32.452 32.500 -0.121 0.000 0.841 533 K HN 0.322 nan 8.250 nan 0.000 0.523 534 V N 2.126 122.011 119.914 -0.049 0.000 2.455 534 V HA 0.001 4.121 4.120 -0.000 0.000 0.273 534 V C 1.775 177.854 176.094 -0.025 0.000 1.045 534 V CA -0.094 62.204 62.300 -0.002 0.000 0.976 534 V CB 1.350 33.145 31.823 -0.047 0.000 0.993 534 V HN -0.124 nan 8.190 nan 0.000 0.475 535 V N 5.159 125.080 119.914 0.012 0.000 2.379 535 V HA -0.058 4.062 4.120 -0.000 0.000 0.245 535 V C 1.339 177.414 176.094 -0.031 0.000 1.044 535 V CA 1.336 63.638 62.300 0.004 0.000 1.036 535 V CB -0.424 31.421 31.823 0.036 0.000 0.664 535 V HN 0.765 nan 8.190 nan 0.000 0.453 536 R N 0.960 121.414 120.500 -0.078 0.000 2.242 536 R HA 0.170 4.510 4.340 -0.000 0.000 0.334 536 R C -1.696 174.474 176.300 -0.216 0.000 1.071 536 R CA -1.396 54.620 56.100 -0.140 0.000 0.922 536 R CB 0.578 30.718 30.300 -0.267 0.000 1.023 536 R HN 0.262 nan 8.270 nan 0.000 0.458 537 P HA -0.200 nan 4.420 nan 0.000 0.218 537 P C 0.783 178.050 177.300 -0.056 0.000 1.149 537 P CA 1.156 64.222 63.100 -0.056 0.000 0.817 537 P CB -0.025 31.679 31.700 0.007 0.000 0.785 538 Y N -1.242 119.059 120.300 0.001 0.000 2.333 538 Y HA -0.077 4.473 4.550 -0.000 0.000 0.290 538 Y C 1.971 177.878 175.900 0.010 0.000 1.144 538 Y CA 0.679 58.781 58.100 0.002 0.000 1.228 538 Y CB -1.767 36.695 38.460 0.003 0.000 0.985 538 Y HN -0.119 nan 8.280 nan 0.000 0.542 539 I N 0.894 121.066 120.570 -0.663 0.000 2.202 539 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 539 I C 2.544 178.589 176.117 -0.121 0.000 1.091 539 I CA 1.450 62.541 61.300 -0.348 0.000 1.368 539 I CB -0.390 37.390 38.000 -0.366 0.000 1.058 539 I HN 0.202 nan 8.210 nan 0.000 0.410 540 R N 0.829 121.243 120.500 -0.142 0.000 2.096 540 R HA -0.210 4.130 4.340 -0.000 0.000 0.240 540 R C 2.135 178.395 176.300 -0.068 0.000 1.139 540 R CA 1.644 57.674 56.100 -0.118 0.000 0.952 540 R CB -0.501 29.725 30.300 -0.123 0.000 0.854 540 R HN 0.467 nan 8.270 nan 0.000 0.436 541 E N 0.442 120.623 120.200 -0.031 0.000 2.085 541 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 541 E C 2.182 178.793 176.600 0.018 0.000 0.994 541 E CA 1.076 57.476 56.400 0.001 0.000 0.801 541 E CB -0.064 29.658 29.700 0.037 0.000 0.743 541 E HN 0.297 nan 8.360 nan 0.000 0.453 542 R N 0.280 120.808 120.500 0.047 0.000 2.081 542 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 542 R C 2.423 178.750 176.300 0.045 0.000 1.131 542 R CA 1.078 57.216 56.100 0.062 0.000 0.960 542 R CB -0.238 30.121 30.300 0.099 0.000 0.856 542 R HN 0.048 nan 8.270 nan 0.000 0.436 543 V N 0.256 120.195 119.914 0.041 0.000 2.427 543 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 543 V C 2.244 178.320 176.094 -0.030 0.000 1.051 543 V CA 1.405 63.740 62.300 0.058 0.000 1.048 543 V CB -0.197 31.685 31.823 0.098 0.000 0.666 543 V HN 0.134 nan 8.190 nan 0.000 0.456 544 V N 0.480 120.354 119.914 -0.065 0.000 2.343 544 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 544 V C 2.302 178.357 176.094 -0.065 0.000 1.051 544 V CA 2.441 64.679 62.300 -0.103 0.000 1.036 544 V CB -0.667 31.102 31.823 -0.091 0.000 0.654 544 V HN 0.648 nan 8.190 nan 0.000 0.451 545 D N -0.769 119.625 120.400 -0.011 0.000 2.123 545 D HA -0.201 4.439 4.640 -0.000 0.000 0.196 545 D C 2.283 178.649 176.300 0.110 0.000 0.992 545 D CA 1.223 55.248 54.000 0.043 0.000 0.833 545 D CB -0.014 40.825 40.800 0.066 0.000 0.954 545 D HN 0.337 nan 8.370 nan 0.000 0.455 546 Q N -0.209 119.625 119.800 0.058 0.000 2.084 546 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 546 Q C 2.598 178.615 176.000 0.029 0.000 0.978 546 Q CA 0.709 56.549 55.803 0.062 0.000 0.844 546 Q CB -0.317 28.478 28.738 0.095 0.000 0.898 546 Q HN 0.457 nan 8.270 nan 0.000 0.426 547 L N 0.201 121.379 121.223 -0.075 0.000 2.127 547 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 547 L C 2.342 179.104 176.870 -0.180 0.000 1.089 547 L CA 0.975 55.701 54.840 -0.190 0.000 0.757 547 L CB -0.675 41.166 42.059 -0.363 0.000 0.899 547 L HN 0.097 nan 8.230 nan 0.000 0.434 548 A N -0.853 121.887 122.820 -0.134 0.000 2.121 548 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 548 A C 1.731 179.146 177.584 -0.281 0.000 1.154 548 A CA 1.187 53.111 52.037 -0.189 0.000 0.679 548 A CB -0.700 18.198 19.000 -0.170 0.000 0.795 548 A HN 0.446 nan 8.150 nan 0.000 0.458 549 H N -1.301 117.559 119.070 -0.349 0.000 2.551 549 H HA 0.270 4.826 4.556 -0.000 0.000 0.266 549 H C 1.590 176.644 175.328 -0.456 0.000 0.964 549 H CA 0.927 56.639 56.048 -0.560 0.000 1.180 549 H CB 0.106 29.111 29.762 -1.261 0.000 1.408 549 H HN 0.499 nan 8.280 nan 0.000 0.563 550 I N -1.088 119.381 120.570 -0.168 0.000 2.681 550 I HA 0.064 4.234 4.170 -0.000 0.000 0.247 550 I C -0.132 175.914 176.117 -0.118 0.000 1.091 550 I CA 0.547 61.812 61.300 -0.058 0.000 1.442 550 I CB 0.628 38.624 38.000 -0.006 0.000 1.219 550 I HN 0.091 nan 8.210 nan 0.000 0.451 551 D N -1.067 119.196 120.400 -0.229 0.000 2.804 551 D HA 0.222 4.862 4.640 -0.000 0.000 0.209 551 D C 0.087 176.231 176.300 -0.260 0.000 1.314 551 D CA -0.398 53.452 54.000 -0.251 0.000 0.894 551 D CB 1.332 41.857 40.800 -0.458 0.000 1.615 551 D HN -0.194 nan 8.370 nan 0.000 0.571 552 L N 2.430 123.559 121.223 -0.157 0.000 2.141 552 L HA 0.018 4.358 4.340 -0.000 0.000 0.209 552 L C 2.212 179.013 176.870 -0.114 0.000 1.094 552 L CA 1.676 56.436 54.840 -0.134 0.000 0.763 552 L CB -0.934 41.070 42.059 -0.092 0.000 0.908 552 L HN 0.624 nan 8.230 nan 0.000 0.437 553 T N -0.443 114.070 114.554 -0.067 0.000 2.737 553 T HA -0.179 4.171 4.350 -0.000 0.000 0.265 553 T C 1.855 176.518 174.700 -0.062 0.000 1.038 553 T CA 1.444 63.550 62.100 0.011 0.000 1.144 553 T CB -0.320 68.646 68.868 0.165 0.000 0.866 553 T HN 0.215 nan 8.240 nan 0.000 0.434 554 L N 1.680 122.712 121.223 -0.318 0.000 2.017 554 L HA 0.088 4.428 4.340 -0.000 0.000 0.208 554 L C 2.585 179.240 176.870 -0.358 0.000 1.073 554 L CA 2.036 56.523 54.840 -0.589 0.000 0.745 554 L CB -1.129 40.105 42.059 -1.375 0.000 0.894 554 L HN 0.201 nan 8.230 nan 0.000 0.432 555 A N -0.982 121.645 122.820 -0.322 0.000 1.902 555 A HA -0.254 4.065 4.320 -0.000 0.000 0.217 555 A C 2.225 179.716 177.584 -0.155 0.000 1.181 555 A CA 1.927 53.818 52.037 -0.242 0.000 0.623 555 A CB -0.649 18.227 19.000 -0.206 0.000 0.818 555 A HN 0.698 nan 8.150 nan 0.000 0.443 556 Q N -0.935 118.798 119.800 -0.113 0.000 2.167 556 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 556 Q C 2.371 178.349 176.000 -0.037 0.000 0.970 556 Q CA 1.118 56.883 55.803 -0.063 0.000 0.855 556 Q CB -0.301 28.415 28.738 -0.037 0.000 0.911 556 Q HN 0.696 nan 8.270 nan 0.000 0.438 557 A N 0.209 123.013 122.820 -0.027 0.000 1.929 557 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 557 A C 2.268 179.860 177.584 0.014 0.000 1.176 557 A CA 0.938 52.989 52.037 0.023 0.000 0.628 557 A CB -0.389 18.660 19.000 0.082 0.000 0.816 557 A HN 0.181 nan 8.150 nan 0.000 0.444 558 V N -0.114 119.780 119.914 -0.033 0.000 2.307 558 V HA -0.199 3.920 4.120 -0.000 0.000 0.245 558 V C 3.069 179.136 176.094 -0.046 0.000 1.045 558 V CA 1.804 64.081 62.300 -0.039 0.000 1.024 558 V CB -1.268 30.478 31.823 -0.128 0.000 0.651 558 V HN 0.584 nan 8.190 nan 0.000 0.449 559 A N -0.101 122.679 122.820 -0.066 0.000 1.908 559 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 559 A C 2.332 179.899 177.584 -0.027 0.000 1.181 559 A CA 2.442 54.448 52.037 -0.053 0.000 0.627 559 A CB -0.584 18.382 19.000 -0.056 0.000 0.818 559 A HN 0.531 nan 8.150 nan 0.000 0.445 560 K N -0.455 119.937 120.400 -0.014 0.000 2.063 560 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 560 K C 1.386 177.992 176.600 0.010 0.000 1.048 560 K CA 1.719 58.008 56.287 0.002 0.000 0.928 560 K CB -0.205 32.303 32.500 0.014 0.000 0.713 560 K HN 0.451 nan 8.250 nan 0.000 0.442 561 N N 0.515 119.224 118.700 0.016 0.000 2.512 561 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 561 N C 1.081 176.594 175.510 0.005 0.000 1.073 561 N CA 0.766 53.830 53.050 0.025 0.000 0.911 561 N CB 0.151 38.666 38.487 0.047 0.000 0.964 561 N HN 0.270 nan 8.380 nan 0.000 0.447 562 L N -0.947 120.267 121.223 -0.014 0.000 2.640 562 L HA 0.276 4.616 4.340 -0.000 0.000 0.230 562 L C 0.972 177.829 176.870 -0.022 0.000 1.123 562 L CA -0.126 54.696 54.840 -0.030 0.000 0.900 562 L CB 0.019 42.046 42.059 -0.054 0.000 1.146 562 L HN 0.060 nan 8.230 nan 0.000 0.484 563 G N 1.463 110.257 108.800 -0.011 0.000 2.198 563 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 563 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 563 G C 0.081 174.974 174.900 -0.011 0.000 1.025 563 G CA 0.182 45.278 45.100 -0.007 0.000 0.769 563 G HN 0.329 nan 8.290 nan 0.000 0.507 564 I N -0.286 120.274 120.570 -0.017 0.000 2.437 564 I HA 0.526 4.696 4.170 -0.000 0.000 0.298 564 I C 0.238 176.343 176.117 -0.019 0.000 0.984 564 I CA -0.881 60.407 61.300 -0.019 0.000 1.214 564 I CB 1.830 39.812 38.000 -0.029 0.000 1.365 564 I HN 0.152 nan 8.210 nan 0.000 0.469 565 E N 5.763 125.953 120.200 -0.017 0.000 2.158 565 E HA 0.428 4.778 4.350 -0.000 0.000 0.271 565 E C -1.115 175.471 176.600 -0.023 0.000 0.911 565 E CA -0.547 55.842 56.400 -0.017 0.000 0.767 565 E CB 1.072 30.765 29.700 -0.012 0.000 1.120 565 E HN 0.416 nan 8.360 nan 0.000 0.405 566 L N 3.846 125.051 121.223 -0.030 0.000 2.456 566 L HA 0.176 4.515 4.340 -0.000 0.000 0.272 566 L C 1.008 177.860 176.870 -0.031 0.000 1.189 566 L CA -0.186 54.632 54.840 -0.037 0.000 0.846 566 L CB 0.439 42.468 42.059 -0.050 0.000 1.111 566 L HN 0.731 nan 8.230 nan 0.000 0.475 567 T N -2.111 112.425 114.554 -0.030 0.000 2.754 567 T HA 0.056 4.406 4.350 -0.000 0.000 0.286 567 T C 0.696 175.377 174.700 -0.031 0.000 0.997 567 T CA -0.645 61.440 62.100 -0.025 0.000 0.982 567 T CB 0.916 69.772 68.868 -0.020 0.000 1.027 567 T HN 0.513 nan 8.240 nan 0.000 0.529 568 D N 0.056 120.440 120.400 -0.026 0.000 2.144 568 D HA -0.008 4.632 4.640 -0.000 0.000 0.200 568 D C 1.703 177.981 176.300 -0.038 0.000 0.978 568 D CA 0.954 54.937 54.000 -0.029 0.000 0.833 568 D CB -0.331 40.456 40.800 -0.021 0.000 0.961 568 D HN 0.586 nan 8.370 nan 0.000 0.470 569 D N 0.208 120.587 120.400 -0.036 0.000 2.117 569 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 569 D C 2.035 178.291 176.300 -0.074 0.000 0.987 569 D CA 0.809 54.782 54.000 -0.045 0.000 0.829 569 D CB -0.171 40.611 40.800 -0.030 0.000 0.961 569 D HN 0.277 nan 8.370 nan 0.000 0.460 570 Q N -0.272 119.484 119.800 -0.074 0.000 2.084 570 Q HA -0.054 4.285 4.340 -0.000 0.000 0.202 570 Q C 2.296 178.223 176.000 -0.121 0.000 0.978 570 Q CA 0.699 56.435 55.803 -0.110 0.000 0.844 570 Q CB -0.083 28.607 28.738 -0.081 0.000 0.898 570 Q HN 0.319 nan 8.270 nan 0.000 0.426 571 L N 0.740 121.912 121.223 -0.085 0.000 2.362 571 L HA -0.126 4.214 4.340 -0.000 0.000 0.219 571 L C 1.134 177.957 176.870 -0.078 0.000 1.134 571 L CA 0.461 55.255 54.840 -0.076 0.000 0.807 571 L CB -0.155 41.873 42.059 -0.053 0.000 0.927 571 L HN 0.214 nan 8.230 nan 0.000 0.447 572 N N -0.017 118.634 118.700 -0.082 0.000 2.235 572 N HA 0.236 4.976 4.740 -0.000 0.000 0.209 572 N C 0.291 175.739 175.510 -0.104 0.000 1.122 572 N CA 0.066 53.070 53.050 -0.076 0.000 0.845 572 N CB 0.575 39.029 38.487 -0.054 0.000 1.004 572 N HN 0.250 nan 8.380 nan 0.000 0.499 573 I N 1.658 122.131 120.570 -0.161 0.000 2.533 573 I HA -0.034 4.135 4.170 -0.000 0.000 0.284 573 I C 0.511 176.528 176.117 -0.167 0.000 1.109 573 I CA 0.273 61.439 61.300 -0.224 0.000 1.412 573 I CB 0.362 38.093 38.000 -0.447 0.000 1.396 573 I HN -0.161 nan 8.210 nan 0.000 0.543 574 T N 8.036 122.520 114.554 -0.116 0.000 2.888 574 T HA 0.153 4.503 4.350 -0.000 0.000 0.301 574 T C -2.012 172.646 174.700 -0.070 0.000 1.001 574 T CA -0.834 61.225 62.100 -0.068 0.000 1.147 574 T CB 0.109 68.960 68.868 -0.030 0.000 0.931 574 T HN 0.398 nan 8.240 nan 0.000 0.541 575 P HA 0.198 nan 4.420 nan 0.000 0.269 575 P C -2.398 174.915 177.300 0.021 0.000 1.215 575 P CA -1.369 61.716 63.100 -0.024 0.000 0.780 575 P CB -0.499 31.199 31.700 -0.002 0.000 0.898 576 P HA 0.236 nan 4.420 nan 0.000 0.272 576 P C -2.452 174.902 177.300 0.089 0.000 1.230 576 P CA -1.344 61.823 63.100 0.112 0.000 0.788 576 P CB -0.985 30.828 31.700 0.189 0.000 0.949 577 P HA 0.088 nan 4.420 nan 0.000 0.270 577 P C -0.173 177.176 177.300 0.082 0.000 1.223 577 P CA 0.254 63.401 63.100 0.078 0.000 0.785 577 P CB 0.217 31.965 31.700 0.080 0.000 0.923 578 D N -0.180 120.261 120.400 0.068 0.000 2.368 578 D HA 0.071 4.711 4.640 -0.000 0.000 0.240 578 D C -0.141 176.205 176.300 0.078 0.000 1.169 578 D CA 0.035 54.072 54.000 0.060 0.000 0.906 578 D CB 0.467 41.297 40.800 0.050 0.000 1.187 578 D HN -0.030 nan 8.370 nan 0.000 0.435 579 V N 2.644 122.594 119.914 0.060 0.000 2.339 579 V HA 0.049 4.169 4.120 -0.000 0.000 0.261 579 V C 0.335 176.519 176.094 0.149 0.000 1.058 579 V CA -0.354 62.009 62.300 0.105 0.000 0.897 579 V CB -0.606 31.190 31.823 -0.045 0.000 1.052 579 V HN 0.620 nan 8.190 nan 0.000 0.480 580 N N 4.393 123.195 118.700 0.171 0.000 2.725 580 N HA -0.223 4.517 4.740 -0.000 0.000 0.251 580 N C 1.165 176.733 175.510 0.096 0.000 1.031 580 N CA 0.876 54.011 53.050 0.141 0.000 0.720 580 N CB -0.907 37.700 38.487 0.201 0.000 0.930 580 N HN 1.246 nan 8.380 nan 0.000 0.543 581 G N -1.707 107.137 108.800 0.074 0.000 2.205 581 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.261 581 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.261 581 G C 0.159 175.087 174.900 0.048 0.000 0.980 581 G CA 0.411 45.543 45.100 0.053 0.000 0.632 581 G HN 0.402 nan 8.290 nan 0.000 0.533 582 L N 0.252 121.507 121.223 0.054 0.000 2.360 582 L HA 0.362 4.702 4.340 -0.000 0.000 0.276 582 L C 1.504 178.388 176.870 0.024 0.000 1.121 582 L CA -0.150 54.712 54.840 0.038 0.000 0.845 582 L CB 1.081 43.164 42.059 0.040 0.000 1.143 582 L HN 0.083 nan 8.230 nan 0.000 0.452 583 K N 3.024 123.432 120.400 0.015 0.000 2.374 583 K HA 0.121 4.441 4.320 -0.000 0.000 0.196 583 K C -0.399 176.194 176.600 -0.011 0.000 1.023 583 K CA 0.147 56.439 56.287 0.008 0.000 1.103 583 K CB 0.397 32.900 32.500 0.006 0.000 0.848 583 K HN 0.567 nan 8.250 nan 0.000 0.528 584 K N -0.481 119.908 120.400 -0.017 0.000 2.870 584 K HA 0.199 4.519 4.320 -0.000 0.000 0.290 584 K C -2.200 174.383 176.600 -0.029 0.000 1.070 584 K CA -0.988 55.273 56.287 -0.044 0.000 0.843 584 K CB 1.078 33.534 32.500 -0.073 0.000 1.475 584 K HN -0.225 nan 8.250 nan 0.000 0.359 585 D N 1.512 121.889 120.400 -0.039 0.000 2.470 585 D HA 0.288 4.928 4.640 -0.000 0.000 0.233 585 D C -2.176 174.110 176.300 -0.023 0.000 1.372 585 D CA -1.932 52.065 54.000 -0.005 0.000 0.994 585 D CB 2.123 42.941 40.800 0.030 0.000 1.377 585 D HN 0.262 nan 8.370 nan 0.000 0.586 586 P HA -0.108 nan 4.420 nan 0.000 0.221 586 P C 1.259 178.557 177.300 -0.004 0.000 1.145 586 P CA 0.853 63.930 63.100 -0.039 0.000 0.795 586 P CB 0.127 31.813 31.700 -0.024 0.000 0.775 587 S N -1.200 114.530 115.700 0.049 0.000 2.547 587 S HA -0.024 4.446 4.470 -0.000 0.000 0.235 587 S C 1.642 176.328 174.600 0.144 0.000 0.980 587 S CA 0.570 58.834 58.200 0.107 0.000 0.941 587 S CB -1.356 61.933 63.200 0.147 0.000 0.763 587 S HN 0.134 nan 8.310 nan 0.000 0.532 588 L N 1.237 122.508 121.223 0.080 0.000 2.509 588 L HA 0.216 4.556 4.340 -0.000 0.000 0.222 588 L C 1.398 178.188 176.870 -0.135 0.000 1.123 588 L CA 0.114 55.000 54.840 0.076 0.000 0.856 588 L CB -0.221 41.862 42.059 0.040 0.000 0.985 588 L HN 0.358 nan 8.230 nan 0.000 0.456 589 S N -0.473 115.127 115.700 -0.167 0.000 2.585 589 S HA 0.320 4.790 4.470 -0.000 0.000 0.277 589 S C 1.037 175.527 174.600 -0.184 0.000 1.241 589 S CA -0.654 57.388 58.200 -0.264 0.000 1.041 589 S CB 1.505 64.546 63.200 -0.266 0.000 0.987 589 S HN 0.161 nan 8.310 nan 0.000 0.512 590 L N 3.041 124.075 121.223 -0.314 0.000 2.109 590 L HA 0.020 4.360 4.340 -0.000 0.000 0.207 590 L C 0.966 177.582 176.870 -0.422 0.000 1.086 590 L CA 1.143 55.705 54.840 -0.464 0.000 0.760 590 L CB -0.286 41.180 42.059 -0.988 0.000 0.910 590 L HN 0.763 nan 8.230 nan 0.000 0.437 591 Y N -2.084 118.228 120.300 0.020 0.000 2.426 591 Y HA 0.329 4.879 4.550 -0.000 0.000 0.249 591 Y C 2.176 178.111 175.900 0.057 0.000 1.103 591 Y CA -0.194 57.966 58.100 0.101 0.000 1.256 591 Y CB -0.541 38.026 38.460 0.179 0.000 1.208 591 Y HN -0.031 nan 8.280 nan 0.000 0.519 592 A N 0.818 123.680 122.820 0.070 0.000 1.892 592 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 592 A C 1.036 178.662 177.584 0.070 0.000 1.188 592 A CA 1.176 53.226 52.037 0.022 0.000 0.631 592 A CB -0.681 18.275 19.000 -0.074 0.000 0.822 592 A HN 0.238 nan 8.150 nan 0.000 0.447 593 I N 1.235 121.850 120.570 0.074 0.000 2.307 593 I HA 0.225 4.394 4.170 -0.000 0.000 0.289 593 I C -2.488 173.700 176.117 0.118 0.000 1.021 593 I CA -2.095 59.254 61.300 0.082 0.000 1.224 593 I CB 0.957 38.994 38.000 0.062 0.000 1.376 593 I HN 0.048 nan 8.210 nan 0.000 0.470 594 P HA -0.027 nan 4.420 nan 0.000 0.261 594 P C -0.170 177.203 177.300 0.122 0.000 1.173 594 P CA 0.441 63.628 63.100 0.146 0.000 0.760 594 P CB 0.407 32.177 31.700 0.117 0.000 0.783 595 D N 1.082 121.565 120.400 0.138 0.000 2.783 595 D HA 0.092 4.732 4.640 -0.000 0.000 0.306 595 D C 0.402 176.762 176.300 0.100 0.000 1.633 595 D CA -0.438 53.626 54.000 0.106 0.000 0.796 595 D CB -0.484 40.377 40.800 0.101 0.000 1.230 595 D HN 0.322 nan 8.370 nan 0.000 0.441 596 G N 0.176 109.042 108.800 0.110 0.000 2.432 596 G HA2 0.357 4.317 3.960 -0.000 0.000 0.239 596 G HA3 0.357 4.317 3.960 -0.000 0.000 0.239 596 G C -0.650 174.285 174.900 0.058 0.000 1.291 596 G CA 0.027 45.183 45.100 0.094 0.000 0.863 596 G HN 0.181 nan 8.290 nan 0.000 0.560 597 D N 0.772 121.199 120.400 0.044 0.000 2.736 597 D HA 0.178 4.818 4.640 -0.000 0.000 0.243 597 D C 0.927 177.236 176.300 0.016 0.000 1.304 597 D CA -0.544 53.469 54.000 0.022 0.000 0.934 597 D CB 1.727 42.534 40.800 0.012 0.000 1.382 597 D HN 0.294 nan 8.370 nan 0.000 0.571 598 V N 1.872 121.790 119.914 0.007 0.000 3.406 598 V HA 0.241 4.361 4.120 -0.000 0.000 0.263 598 V C 1.029 177.106 176.094 -0.029 0.000 1.172 598 V CA 0.200 62.500 62.300 -0.001 0.000 1.140 598 V CB -0.653 31.167 31.823 -0.005 0.000 0.784 598 V HN 0.384 nan 8.190 nan 0.000 0.467 599 K N 1.247 121.623 120.400 -0.040 0.000 2.484 599 K HA 0.375 4.695 4.320 -0.000 0.000 0.280 599 K C 1.267 177.827 176.600 -0.066 0.000 1.013 599 K CA 1.120 57.362 56.287 -0.076 0.000 1.029 599 K CB 0.104 32.563 32.500 -0.068 0.000 0.902 599 K HN 0.708 nan 8.250 nan 0.000 0.481 600 G N 3.147 111.880 108.800 -0.112 0.000 2.217 600 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.246 600 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.246 600 G C 0.112 175.052 174.900 0.067 0.000 0.990 600 G CA -0.171 44.927 45.100 -0.004 0.000 0.627 600 G HN 0.568 nan 8.290 nan 0.000 0.522 601 R N -0.116 120.398 120.500 0.023 0.000 2.738 601 R HA 0.662 5.002 4.340 -0.000 0.000 0.275 601 R C 0.126 176.484 176.300 0.097 0.000 1.121 601 R CA 0.070 56.214 56.100 0.072 0.000 1.207 601 R CB 0.747 31.082 30.300 0.058 0.000 1.141 601 R HN 0.728 nan 8.270 nan 0.000 0.571 602 V N 0.248 120.237 119.914 0.124 0.000 2.841 602 V HA 0.459 4.579 4.120 -0.000 0.000 0.310 602 V C -1.046 175.116 176.094 0.113 0.000 1.090 602 V CA -0.742 61.645 62.300 0.146 0.000 0.930 602 V CB 2.486 34.419 31.823 0.183 0.000 1.014 602 V HN 0.354 nan 8.190 nan 0.000 0.425 603 V N 5.309 125.285 119.914 0.104 0.000 2.628 603 V HA 0.842 4.962 4.120 -0.000 0.000 0.306 603 V C 0.460 176.613 176.094 0.098 0.000 1.045 603 V CA -0.138 62.214 62.300 0.086 0.000 0.905 603 V CB 1.820 33.680 31.823 0.062 0.000 0.997 603 V HN 1.201 nan 8.190 nan 0.000 0.436 604 A N 5.416 128.299 122.820 0.105 0.000 2.301 604 A HA 0.804 5.124 4.320 -0.000 0.000 0.298 604 A C -0.554 177.047 177.584 0.028 0.000 1.185 604 A CA -0.315 51.774 52.037 0.087 0.000 0.830 604 A CB 0.158 19.245 19.000 0.144 0.000 1.112 604 A HN 0.748 nan 8.150 nan 0.000 0.508 605 I N 3.444 124.024 120.570 0.018 0.000 2.382 605 I HA 0.201 4.371 4.170 -0.000 0.000 0.285 605 I C -0.614 175.512 176.117 0.015 0.000 1.007 605 I CA -0.220 61.091 61.300 0.018 0.000 1.142 605 I CB 1.436 39.458 38.000 0.037 0.000 1.289 605 I HN 0.492 nan 8.210 nan 0.000 0.453 606 L N 7.306 128.524 121.223 -0.007 0.000 2.363 606 L HA 0.375 4.715 4.340 -0.000 0.000 0.286 606 L C 0.102 177.070 176.870 0.163 0.000 1.106 606 L CA -0.256 54.628 54.840 0.074 0.000 0.859 606 L CB -0.003 41.964 42.059 -0.152 0.000 1.223 606 L HN 0.455 nan 8.230 nan 0.000 0.446 607 L N 3.509 124.873 121.223 0.236 0.000 2.475 607 L HA 0.302 4.642 4.340 -0.000 0.000 0.253 607 L C 0.199 177.243 176.870 0.290 0.000 1.198 607 L CA -0.393 54.544 54.840 0.161 0.000 0.814 607 L CB 0.807 42.868 42.059 0.004 0.000 1.134 607 L HN 0.691 nan 8.230 nan 0.000 0.478 608 N N -2.287 116.484 118.700 0.119 0.000 2.629 608 N HA 0.225 4.965 4.740 -0.000 0.000 0.279 608 N C -0.476 174.991 175.510 -0.072 0.000 1.344 608 N CA -0.771 52.390 53.050 0.186 0.000 0.789 608 N CB 0.704 39.302 38.487 0.185 0.000 1.508 608 N HN 0.524 nan 8.380 nan 0.000 0.516 609 D N -2.038 118.357 120.400 -0.009 0.000 2.363 609 D HA 0.002 4.642 4.640 -0.000 0.000 0.226 609 D C -0.218 176.041 176.300 -0.069 0.000 1.020 609 D CA 0.632 54.565 54.000 -0.111 0.000 0.892 609 D CB -0.040 40.769 40.800 0.015 0.000 0.900 609 D HN 0.679 nan 8.370 nan 0.000 0.531 610 E N 0.233 120.410 120.200 -0.038 0.000 4.090 610 E HA 0.196 4.545 4.350 -0.000 0.000 0.235 610 E C -1.224 175.361 176.600 -0.024 0.000 1.187 610 E CA -0.445 55.937 56.400 -0.030 0.000 1.308 610 E CB 0.375 30.069 29.700 -0.011 0.000 1.222 610 E HN -0.085 nan 8.360 nan 0.000 0.414 611 V N 1.857 121.748 119.914 -0.039 0.000 2.788 611 V HA 0.008 4.128 4.120 -0.000 0.000 0.307 611 V C 0.895 176.974 176.094 -0.026 0.000 1.069 611 V CA 0.469 62.753 62.300 -0.027 0.000 1.173 611 V CB 0.674 32.474 31.823 -0.037 0.000 0.925 611 V HN 0.441 nan 8.190 nan 0.000 0.492 612 R N 3.371 123.858 120.500 -0.022 0.000 2.272 612 R HA 0.115 4.455 4.340 -0.000 0.000 0.334 612 R C 1.626 177.906 176.300 -0.034 0.000 1.117 612 R CA 0.465 56.547 56.100 -0.029 0.000 0.966 612 R CB 0.380 30.660 30.300 -0.034 0.000 1.049 612 R HN 1.000 nan 8.270 nan 0.000 0.477 613 S N 3.247 118.928 115.700 -0.032 0.000 2.400 613 S HA -0.243 4.227 4.470 -0.000 0.000 0.232 613 S C 1.928 176.508 174.600 -0.034 0.000 1.025 613 S CA 1.093 59.275 58.200 -0.030 0.000 0.993 613 S CB -0.133 63.051 63.200 -0.026 0.000 0.808 613 S HN 0.689 nan 8.310 nan 0.000 0.478 614 A N 1.984 124.781 122.820 -0.038 0.000 1.972 614 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 614 A C 1.986 179.533 177.584 -0.061 0.000 1.169 614 A CA 1.588 53.599 52.037 -0.044 0.000 0.635 614 A CB -0.754 18.219 19.000 -0.045 0.000 0.810 614 A HN 0.504 nan 8.150 nan 0.000 0.446 615 D N -0.492 119.862 120.400 -0.076 0.000 2.097 615 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 615 D C 1.857 178.114 176.300 -0.072 0.000 0.984 615 D CA 1.137 55.071 54.000 -0.110 0.000 0.826 615 D CB -0.368 40.357 40.800 -0.126 0.000 0.973 615 D HN 0.331 nan 8.370 nan 0.000 0.460 616 L N 0.469 121.667 121.223 -0.043 0.000 2.046 616 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 616 L C 2.128 178.990 176.870 -0.014 0.000 1.077 616 L CA 1.143 55.970 54.840 -0.021 0.000 0.747 616 L CB -0.562 41.487 42.059 -0.017 0.000 0.896 616 L HN -0.021 nan 8.230 nan 0.000 0.432 617 L N -0.251 120.960 121.223 -0.020 0.000 1.989 617 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 617 L C 2.557 179.420 176.870 -0.010 0.000 1.071 617 L CA 2.222 57.053 54.840 -0.014 0.000 0.749 617 L CB -1.055 40.993 42.059 -0.019 0.000 0.890 617 L HN 0.324 nan 8.230 nan 0.000 0.431 618 A N -0.871 121.936 122.820 -0.021 0.000 1.930 618 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 618 A C 2.263 179.853 177.584 0.011 0.000 1.175 618 A CA 1.827 53.856 52.037 -0.013 0.000 0.627 618 A CB -0.778 18.200 19.000 -0.037 0.000 0.815 618 A HN 0.482 nan 8.150 nan 0.000 0.443 619 I N -0.314 120.263 120.570 0.012 0.000 2.113 619 I HA -0.270 3.900 4.170 -0.000 0.000 0.238 619 I C 2.399 178.541 176.117 0.042 0.000 1.070 619 I CA 1.295 62.626 61.300 0.051 0.000 1.332 619 I CB -0.355 37.677 38.000 0.053 0.000 1.044 619 I HN 0.285 nan 8.210 nan 0.000 0.402 620 L N 0.543 121.782 121.223 0.027 0.000 2.083 620 L HA -0.236 4.104 4.340 -0.000 0.000 0.209 620 L C 2.644 179.525 176.870 0.018 0.000 1.083 620 L CA 1.400 56.255 54.840 0.024 0.000 0.752 620 L CB -0.629 41.442 42.059 0.019 0.000 0.899 620 L HN 0.289 nan 8.230 nan 0.000 0.433 621 K N 0.586 120.994 120.400 0.015 0.000 2.026 621 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 621 K C 2.132 178.740 176.600 0.012 0.000 1.048 621 K CA 1.465 57.759 56.287 0.011 0.000 0.929 621 K CB -0.063 32.442 32.500 0.008 0.000 0.713 621 K HN 0.244 nan 8.250 nan 0.000 0.439 622 A N 1.395 124.227 122.820 0.021 0.000 1.898 622 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 622 A C 2.144 179.735 177.584 0.011 0.000 1.181 622 A CA 1.074 53.124 52.037 0.022 0.000 0.620 622 A CB -0.546 18.479 19.000 0.041 0.000 0.819 622 A HN 0.322 nan 8.150 nan 0.000 0.442 623 L N -0.522 120.709 121.223 0.014 0.000 2.046 623 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 623 L C 2.655 179.508 176.870 -0.028 0.000 1.077 623 L CA 1.996 56.833 54.840 -0.004 0.000 0.747 623 L CB -0.456 41.608 42.059 0.009 0.000 0.896 623 L HN 0.495 nan 8.230 nan 0.000 0.432 624 K N 0.552 120.944 120.400 -0.014 0.000 2.057 624 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 624 K C 2.101 178.684 176.600 -0.028 0.000 1.049 624 K CA 1.336 57.611 56.287 -0.021 0.000 0.931 624 K CB -0.080 32.419 32.500 -0.002 0.000 0.714 624 K HN 0.259 nan 8.250 nan 0.000 0.440 625 A N 1.097 123.907 122.820 -0.017 0.000 2.019 625 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 625 A C 1.484 179.053 177.584 -0.025 0.000 1.164 625 A CA 1.322 53.350 52.037 -0.015 0.000 0.644 625 A CB -0.081 18.916 19.000 -0.006 0.000 0.805 625 A HN 0.188 nan 8.150 nan 0.000 0.449 626 K N -1.366 119.012 120.400 -0.036 0.000 2.399 626 K HA 0.230 4.550 4.320 -0.000 0.000 0.204 626 K C 0.838 177.391 176.600 -0.078 0.000 1.023 626 K CA 0.552 56.813 56.287 -0.044 0.000 1.127 626 K CB 0.151 32.631 32.500 -0.033 0.000 0.856 626 K HN 0.665 nan 8.250 nan 0.000 0.514 627 G N 1.686 110.422 108.800 -0.106 0.000 2.198 627 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 627 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 627 G C 0.080 174.783 174.900 -0.327 0.000 1.025 627 G CA 0.235 45.223 45.100 -0.187 0.000 0.769 627 G HN 0.123 nan 8.290 nan 0.000 0.507 628 V N 2.057 121.820 119.914 -0.251 0.000 2.481 628 V HA 0.484 4.604 4.120 -0.000 0.000 0.286 628 V C 0.716 176.655 176.094 -0.260 0.000 1.042 628 V CA -1.091 61.064 62.300 -0.242 0.000 0.928 628 V CB 1.330 33.101 31.823 -0.087 0.000 0.986 628 V HN 0.371 nan 8.190 nan 0.000 0.462 629 H N 2.225 121.307 119.070 0.021 0.000 2.499 629 H HA 0.812 5.368 4.556 -0.000 0.000 0.352 629 H C 0.102 175.451 175.328 0.034 0.000 1.237 629 H CA -0.200 55.862 56.048 0.024 0.000 1.343 629 H CB 1.899 31.676 29.762 0.026 0.000 1.578 629 H HN 0.774 nan 8.280 nan 0.000 0.577 630 A N 0.936 123.864 122.820 0.180 0.000 2.454 630 A HA 0.568 4.888 4.320 -0.000 0.000 0.302 630 A C -0.915 176.726 177.584 0.095 0.000 1.079 630 A CA -0.942 51.163 52.037 0.114 0.000 0.731 630 A CB 1.518 20.566 19.000 0.080 0.000 1.299 630 A HN 0.721 nan 8.150 nan 0.000 0.413 631 K N 2.046 122.496 120.400 0.083 0.000 2.502 631 K HA 0.642 4.961 4.320 -0.000 0.000 0.254 631 K C -1.475 175.155 176.600 0.051 0.000 0.947 631 K CA -0.461 55.867 56.287 0.068 0.000 0.834 631 K CB 1.470 34.019 32.500 0.082 0.000 1.112 631 K HN 0.499 nan 8.250 nan 0.000 0.427 632 L N 5.115 126.359 121.223 0.035 0.000 2.315 632 L HA 0.338 4.678 4.340 -0.000 0.000 0.283 632 L C -0.377 176.503 176.870 0.016 0.000 1.089 632 L CA -0.607 54.247 54.840 0.023 0.000 0.833 632 L CB 0.058 42.122 42.059 0.008 0.000 1.170 632 L HN 0.514 nan 8.230 nan 0.000 0.442 633 L N 3.808 125.046 121.223 0.025 0.000 2.333 633 L HA 0.611 4.951 4.340 -0.000 0.000 0.269 633 L C -0.824 176.008 176.870 -0.063 0.000 1.010 633 L CA -0.793 54.030 54.840 -0.027 0.000 0.818 633 L CB 1.986 44.050 42.059 0.008 0.000 1.306 633 L HN 0.396 nan 8.230 nan 0.000 0.430 634 Y N -0.599 119.320 120.300 -0.634 0.000 2.840 634 Y HA 0.183 4.733 4.550 -0.000 0.000 0.324 634 Y C 0.689 175.843 175.900 -1.242 0.000 1.378 634 Y CA -0.781 56.827 58.100 -0.821 0.000 1.077 634 Y CB 1.645 39.924 38.460 -0.301 0.000 1.361 634 Y HN 0.549 nan 8.280 nan 0.000 0.459 635 S N 0.747 115.492 115.700 -1.593 0.000 2.593 635 S HA 0.260 4.730 4.470 -0.000 0.000 0.217 635 S C 0.030 174.321 174.600 -0.514 0.000 0.966 635 S CA 0.313 57.960 58.200 -0.921 0.000 0.914 635 S CB -0.264 62.569 63.200 -0.611 0.000 0.776 635 S HN 0.615 nan 8.310 nan 0.000 0.523 636 R N -1.293 118.980 120.500 -0.379 0.000 2.766 636 R HA 0.639 4.979 4.340 -0.000 0.000 0.270 636 R C -0.863 175.425 176.300 -0.020 0.000 1.035 636 R CA -1.107 54.920 56.100 -0.123 0.000 0.911 636 R CB 0.519 30.797 30.300 -0.037 0.000 1.243 636 R HN -0.066 nan 8.270 nan 0.000 0.460 637 M N -0.023 119.573 119.600 -0.005 0.000 2.310 637 M HA 0.554 5.034 4.480 -0.000 0.000 0.241 637 M C 0.985 177.301 176.300 0.028 0.000 1.162 637 M CA 0.710 56.014 55.300 0.007 0.000 0.958 637 M CB 0.542 33.138 32.600 -0.007 0.000 1.348 637 M HN 1.049 nan 8.290 nan 0.000 0.541 638 G N 0.745 109.552 108.800 0.012 0.000 2.578 638 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.232 638 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.232 638 G C -0.825 174.071 174.900 -0.006 0.000 1.176 638 G CA -0.368 44.736 45.100 0.007 0.000 0.968 638 G HN 0.623 nan 8.290 nan 0.000 0.583 639 E N -1.144 119.046 120.200 -0.017 0.000 2.416 639 E HA 0.635 4.985 4.350 -0.000 0.000 0.273 639 E C -0.491 176.051 176.600 -0.097 0.000 0.935 639 E CA -0.453 55.917 56.400 -0.051 0.000 0.784 639 E CB 2.963 32.639 29.700 -0.041 0.000 1.301 639 E HN 1.299 nan 8.360 nan 0.000 0.454 640 V N -1.921 117.903 119.914 -0.151 0.000 2.962 640 V HA 0.736 4.856 4.120 -0.000 0.000 0.313 640 V C -0.625 175.386 176.094 -0.138 0.000 1.099 640 V CA -0.701 61.471 62.300 -0.215 0.000 0.971 640 V CB 1.979 33.541 31.823 -0.435 0.000 1.028 640 V HN 0.626 nan 8.190 nan 0.000 0.430 641 T N 2.797 117.284 114.554 -0.112 0.000 2.779 641 T HA 0.783 5.133 4.350 -0.000 0.000 0.280 641 T C 0.379 175.037 174.700 -0.070 0.000 0.987 641 T CA 0.279 62.335 62.100 -0.074 0.000 0.966 641 T CB 1.363 70.200 68.868 -0.051 0.000 0.933 641 T HN 1.370 nan 8.240 nan 0.000 0.442 642 A N 2.365 125.150 122.820 -0.059 0.000 2.325 642 A HA 0.313 4.633 4.320 -0.000 0.000 0.260 642 A C 1.559 179.120 177.584 -0.037 0.000 1.133 642 A CA -0.225 51.782 52.037 -0.049 0.000 0.801 642 A CB 0.013 18.987 19.000 -0.042 0.000 1.092 642 A HN 0.903 nan 8.150 nan 0.000 0.504 643 D N -0.461 119.921 120.400 -0.031 0.000 2.263 643 D HA -0.164 4.476 4.640 -0.000 0.000 0.208 643 D C 0.524 176.811 176.300 -0.022 0.000 0.971 643 D CA 1.441 55.427 54.000 -0.024 0.000 0.867 643 D CB -0.218 40.569 40.800 -0.022 0.000 0.929 643 D HN 0.581 nan 8.370 nan 0.000 0.492 644 D N -1.477 118.909 120.400 -0.023 0.000 2.368 644 D HA 0.211 4.851 4.640 -0.000 0.000 0.218 644 D C 1.570 177.859 176.300 -0.019 0.000 1.112 644 D CA 0.225 54.214 54.000 -0.019 0.000 0.834 644 D CB -0.099 40.690 40.800 -0.019 0.000 0.953 644 D HN 0.308 nan 8.370 nan 0.000 0.505 645 G N 0.043 108.830 108.800 -0.022 0.000 2.176 645 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.253 645 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.253 645 G C 0.399 175.285 174.900 -0.023 0.000 0.979 645 G CA 0.283 45.370 45.100 -0.022 0.000 0.641 645 G HN 0.428 nan 8.290 nan 0.000 0.530 646 T N 1.337 115.876 114.554 -0.025 0.000 2.853 646 T HA 0.409 4.759 4.350 -0.000 0.000 0.298 646 T C 0.705 175.386 174.700 -0.032 0.000 0.978 646 T CA 0.121 62.206 62.100 -0.025 0.000 1.152 646 T CB 1.944 70.797 68.868 -0.024 0.000 0.914 646 T HN 0.457 nan 8.240 nan 0.000 0.539 647 V N 6.028 125.924 119.914 -0.029 0.000 2.432 647 V HA 0.283 4.403 4.120 -0.000 0.000 0.271 647 V C 0.220 176.293 176.094 -0.037 0.000 1.046 647 V CA -0.489 61.790 62.300 -0.035 0.000 0.945 647 V CB 0.542 32.349 31.823 -0.027 0.000 0.992 647 V HN 0.685 nan 8.190 nan 0.000 0.471 648 L N 8.361 129.553 121.223 -0.052 0.000 2.294 648 L HA 0.453 4.793 4.340 -0.000 0.000 0.283 648 L C -2.288 174.551 176.870 -0.052 0.000 1.015 648 L CA -1.774 53.036 54.840 -0.051 0.000 0.831 648 L CB 1.920 43.938 42.059 -0.068 0.000 1.217 648 L HN 0.432 nan 8.230 nan 0.000 0.420 649 P HA 0.189 nan 4.420 nan 0.000 0.275 649 P C -0.470 176.816 177.300 -0.023 0.000 1.227 649 P CA -0.048 63.037 63.100 -0.024 0.000 0.781 649 P CB 0.977 32.671 31.700 -0.012 0.000 0.906 650 I N 1.986 122.545 120.570 -0.019 0.000 2.342 650 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 650 I C 1.600 177.715 176.117 -0.005 0.000 1.010 650 I CA -0.361 60.932 61.300 -0.011 0.000 1.308 650 I CB 1.307 39.309 38.000 0.003 0.000 1.400 650 I HN 0.367 nan 8.210 nan 0.000 0.488 651 A N 5.356 128.176 122.820 0.000 0.000 1.929 651 A HA 0.488 4.808 4.320 -0.000 0.000 0.216 651 A C 1.010 178.597 177.584 0.006 0.000 1.176 651 A CA 1.384 53.426 52.037 0.008 0.000 0.628 651 A CB -0.022 18.991 19.000 0.021 0.000 0.816 651 A HN 0.839 nan 8.150 nan 0.000 0.444 652 A N -2.347 120.470 122.820 -0.005 0.000 2.566 652 A HA 0.558 4.878 4.320 -0.000 0.000 0.290 652 A C -0.068 177.477 177.584 -0.064 0.000 1.071 652 A CA 0.067 52.097 52.037 -0.010 0.000 0.658 652 A CB -0.321 18.696 19.000 0.029 0.000 1.285 652 A HN 0.818 nan 8.150 nan 0.000 0.427 653 T N -1.517 112.990 114.554 -0.079 0.000 2.874 653 T HA 0.565 4.915 4.350 -0.000 0.000 0.281 653 T C 0.975 175.637 174.700 -0.063 0.000 0.994 653 T CA 0.060 62.043 62.100 -0.194 0.000 1.015 653 T CB 0.106 68.885 68.868 -0.148 0.000 1.028 653 T HN 0.488 nan 8.240 nan 0.000 0.523 654 F N 0.616 120.582 119.950 0.027 0.000 2.120 654 F HA -0.057 4.470 4.527 -0.000 0.000 0.300 654 F C 2.953 178.884 175.800 0.219 0.000 1.095 654 F CA 1.115 59.176 58.000 0.102 0.000 1.249 654 F CB -0.637 38.396 39.000 0.055 0.000 0.995 654 F HN 0.711 nan 8.300 nan 0.000 0.480 655 A N 0.188 123.176 122.820 0.279 0.000 1.970 655 A HA 0.054 4.374 4.320 -0.000 0.000 0.216 655 A C 2.414 180.074 177.584 0.126 0.000 1.170 655 A CA 1.357 53.504 52.037 0.183 0.000 0.645 655 A CB -1.374 17.691 19.000 0.109 0.000 0.816 655 A HN 0.390 nan 8.150 nan 0.000 0.447 656 G N -0.890 107.969 108.800 0.098 0.000 2.448 656 G HA2 0.282 4.242 3.960 -0.000 0.000 0.218 656 G HA3 0.282 4.242 3.960 -0.000 0.000 0.218 656 G C 0.637 175.589 174.900 0.086 0.000 1.135 656 G CA 0.967 46.106 45.100 0.066 0.000 0.784 656 G HN 1.070 nan 8.290 nan 0.000 0.543 657 A N 1.030 123.937 122.820 0.145 0.000 3.030 657 A HA 0.672 4.992 4.320 -0.000 0.000 0.335 657 A C -2.578 175.159 177.584 0.255 0.000 1.089 657 A CA -1.174 50.961 52.037 0.163 0.000 0.807 657 A CB 1.240 20.334 19.000 0.157 0.000 1.099 657 A HN 0.108 nan 8.150 nan 0.000 0.474 658 P HA 0.009 nan 4.420 nan 0.000 0.270 658 P C 1.295 178.443 177.300 -0.253 0.000 1.227 658 P CA 0.449 63.512 63.100 -0.062 0.000 0.788 658 P CB 0.718 32.360 31.700 -0.096 0.000 0.926 659 S N 0.785 115.952 115.700 -0.888 0.000 2.440 659 S HA -0.153 4.317 4.470 -0.000 0.000 0.238 659 S C 1.851 176.303 174.600 -0.247 0.000 1.010 659 S CA 0.958 58.787 58.200 -0.617 0.000 0.972 659 S CB -1.337 61.397 63.200 -0.776 0.000 0.774 659 S HN 0.370 nan 8.310 nan 0.000 0.501 660 L N 1.881 122.965 121.223 -0.231 0.000 2.129 660 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 660 L C 3.016 179.713 176.870 -0.288 0.000 1.087 660 L CA 1.646 56.343 54.840 -0.237 0.000 0.757 660 L CB -1.465 40.427 42.059 -0.279 0.000 0.896 660 L HN 0.640 nan 8.230 nan 0.000 0.434 661 T N -3.079 111.375 114.554 -0.167 0.000 3.100 661 T HA 0.167 4.517 4.350 -0.000 0.000 0.253 661 T C 0.485 175.275 174.700 0.150 0.000 1.118 661 T CA 0.252 62.339 62.100 -0.022 0.000 1.058 661 T CB -0.380 68.567 68.868 0.130 0.000 0.953 661 T HN 0.169 nan 8.240 nan 0.000 0.515 662 V N -2.422 117.544 119.914 0.087 0.000 3.158 662 V HA 0.581 4.701 4.120 -0.000 0.000 0.315 662 V C -0.018 176.121 176.094 0.076 0.000 1.148 662 V CA -0.936 61.439 62.300 0.124 0.000 1.042 662 V CB 2.046 33.956 31.823 0.146 0.000 1.101 662 V HN -0.008 nan 8.190 nan 0.000 0.448 663 D N 0.764 121.213 120.400 0.081 0.000 2.366 663 D HA 0.506 5.146 4.640 -0.000 0.000 0.205 663 D C 0.536 176.829 176.300 -0.012 0.000 1.022 663 D CA 1.449 55.475 54.000 0.043 0.000 0.868 663 D CB 1.499 42.347 40.800 0.079 0.000 0.953 663 D HN 0.983 nan 8.370 nan 0.000 0.514 664 A N 0.048 122.875 122.820 0.012 0.000 2.586 664 A HA 0.531 4.851 4.320 -0.000 0.000 0.291 664 A C -1.613 175.991 177.584 0.033 0.000 1.062 664 A CA -0.552 51.477 52.037 -0.012 0.000 0.666 664 A CB 1.408 20.389 19.000 -0.032 0.000 1.281 664 A HN -0.112 nan 8.150 nan 0.000 0.421 665 V N 1.059 120.986 119.914 0.021 0.000 2.588 665 V HA 0.600 4.720 4.120 -0.000 0.000 0.304 665 V C -0.692 175.409 176.094 0.012 0.000 1.042 665 V CA -0.224 62.101 62.300 0.042 0.000 0.877 665 V CB 1.545 33.411 31.823 0.071 0.000 0.996 665 V HN 0.693 nan 8.190 nan 0.000 0.425 666 I N 4.183 124.767 120.570 0.023 0.000 2.465 666 I HA 0.554 4.724 4.170 -0.000 0.000 0.291 666 I C -0.917 175.229 176.117 0.048 0.000 1.014 666 I CA -0.920 60.421 61.300 0.067 0.000 1.093 666 I CB 2.337 40.406 38.000 0.115 0.000 1.267 666 I HN 0.280 nan 8.210 nan 0.000 0.431 667 V N 7.556 127.516 119.914 0.076 0.000 2.349 667 V HA 0.351 4.470 4.120 -0.000 0.000 0.284 667 V C -2.123 174.030 176.094 0.100 0.000 1.014 667 V CA -1.596 60.737 62.300 0.054 0.000 0.826 667 V CB 1.293 33.123 31.823 0.012 0.000 1.009 667 V HN 0.554 nan 8.190 nan 0.000 0.431 668 P HA 0.212 nan 4.420 nan 0.000 0.274 668 P C 0.172 177.492 177.300 0.033 0.000 1.246 668 P CA -0.195 62.919 63.100 0.023 0.000 0.795 668 P CB 1.247 32.950 31.700 0.006 0.000 1.006 669 C N 0.262 119.559 119.300 -0.005 0.000 2.644 669 C HA 0.772 5.232 4.460 -0.000 0.000 0.330 669 C C 1.333 176.331 174.990 0.012 0.000 1.606 669 C CA 1.393 60.416 59.018 0.010 0.000 2.115 669 C CB -0.350 27.380 27.740 -0.016 0.000 1.990 669 C HN 0.921 nan 8.230 nan 0.000 0.581 670 G N 1.285 110.092 108.800 0.011 0.000 2.217 670 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.126 670 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.126 670 G C -0.961 173.949 174.900 0.016 0.000 1.293 670 G CA 0.095 45.200 45.100 0.009 0.000 1.219 670 G HN 0.895 nan 8.290 nan 0.000 0.477 671 N N 1.912 120.628 118.700 0.027 0.000 3.034 671 N HA 0.300 5.040 4.740 -0.000 0.000 0.265 671 N C 1.649 177.191 175.510 0.053 0.000 1.166 671 N CA -0.498 52.571 53.050 0.032 0.000 1.081 671 N CB -0.152 38.356 38.487 0.035 0.000 1.378 671 N HN 0.373 nan 8.380 nan 0.000 0.520 672 I N 1.188 121.781 120.570 0.037 0.000 2.361 672 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 672 I C 2.092 178.213 176.117 0.007 0.000 1.133 672 I CA 0.743 62.065 61.300 0.037 0.000 1.413 672 I CB -1.473 36.521 38.000 -0.010 0.000 1.073 672 I HN 0.492 nan 8.210 nan 0.000 0.424 673 A N 0.742 123.557 122.820 -0.009 0.000 1.997 673 A HA -0.321 3.999 4.320 -0.000 0.000 0.221 673 A C 2.100 179.701 177.584 0.028 0.000 1.172 673 A CA 2.339 54.369 52.037 -0.011 0.000 0.645 673 A CB -0.843 18.152 19.000 -0.008 0.000 0.813 673 A HN 0.445 nan 8.150 nan 0.000 0.454 674 D N 0.143 120.586 120.400 0.072 0.000 2.123 674 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 674 D C 1.573 177.959 176.300 0.144 0.000 0.992 674 D CA 1.842 55.914 54.000 0.120 0.000 0.833 674 D CB -0.214 40.695 40.800 0.181 0.000 0.954 674 D HN 0.675 nan 8.370 nan 0.000 0.455 675 I N -3.976 116.697 120.570 0.172 0.000 4.082 675 I HA 0.477 4.647 4.170 -0.000 0.000 0.337 675 I C 1.859 178.092 176.117 0.192 0.000 1.352 675 I CA -0.054 61.374 61.300 0.213 0.000 1.097 675 I CB 0.169 38.354 38.000 0.308 0.000 1.048 675 I HN -0.093 nan 8.210 nan 0.000 0.393 676 A N 1.797 124.629 122.820 0.021 0.000 1.940 676 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 676 A C 1.584 179.118 177.584 -0.083 0.000 1.176 676 A CA 2.077 53.989 52.037 -0.209 0.000 0.631 676 A CB -0.497 18.350 19.000 -0.254 0.000 0.814 676 A HN 0.538 nan 8.150 nan 0.000 0.446 677 D N -0.455 119.940 120.400 -0.008 0.000 2.388 677 D HA 0.028 4.668 4.640 -0.000 0.000 0.221 677 D C -0.044 176.285 176.300 0.048 0.000 1.133 677 D CA -0.175 53.832 54.000 0.012 0.000 0.831 677 D CB -0.238 40.562 40.800 -0.000 0.000 0.962 677 D HN 0.355 nan 8.370 nan 0.000 0.502 678 N N 1.081 119.829 118.700 0.081 0.000 2.430 678 N HA 0.039 4.779 4.740 -0.000 0.000 0.265 678 N C 1.345 176.897 175.510 0.071 0.000 1.100 678 N CA -0.021 53.076 53.050 0.079 0.000 0.961 678 N CB 1.590 40.138 38.487 0.102 0.000 1.075 678 N HN -0.006 nan 8.380 nan 0.000 0.478 679 G N 3.378 112.216 108.800 0.064 0.000 2.446 679 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 679 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 679 G C 0.946 175.899 174.900 0.089 0.000 1.168 679 G CA 0.630 45.770 45.100 0.066 0.000 0.771 679 G HN 0.610 nan 8.290 nan 0.000 0.551 680 D N 1.007 121.467 120.400 0.101 0.000 2.117 680 D HA -0.020 4.620 4.640 -0.000 0.000 0.197 680 D C 2.819 179.125 176.300 0.011 0.000 0.987 680 D CA 1.241 55.331 54.000 0.150 0.000 0.829 680 D CB -0.547 40.407 40.800 0.257 0.000 0.961 680 D HN 0.307 nan 8.370 nan 0.000 0.460 681 A N 1.116 123.765 122.820 -0.284 0.000 1.902 681 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 681 A C 2.017 179.400 177.584 -0.336 0.000 1.181 681 A CA 1.329 52.949 52.037 -0.695 0.000 0.623 681 A CB -0.497 18.024 19.000 -0.798 0.000 0.818 681 A HN 0.170 nan 8.150 nan 0.000 0.443 682 N N -1.643 117.019 118.700 -0.064 0.000 2.106 682 N HA -0.173 4.566 4.740 -0.000 0.000 0.188 682 N C 1.727 177.234 175.510 -0.006 0.000 1.029 682 N CA 1.730 54.795 53.050 0.026 0.000 0.848 682 N CB -0.412 38.158 38.487 0.140 0.000 1.007 682 N HN 0.683 nan 8.380 nan 0.000 0.423 683 Y N 0.714 120.986 120.300 -0.045 0.000 2.224 683 Y HA -0.273 4.277 4.550 -0.000 0.000 0.289 683 Y C 2.376 178.236 175.900 -0.066 0.000 1.146 683 Y CA 1.250 59.320 58.100 -0.050 0.000 1.182 683 Y CB -0.361 38.077 38.460 -0.036 0.000 0.983 683 Y HN 0.034 nan 8.280 nan 0.000 0.524 684 Y N 0.391 120.556 120.300 -0.225 0.000 2.102 684 Y HA -0.355 4.195 4.550 -0.000 0.000 0.280 684 Y C 2.092 177.793 175.900 -0.332 0.000 1.178 684 Y CA 2.304 60.244 58.100 -0.266 0.000 1.146 684 Y CB -0.483 37.820 38.460 -0.263 0.000 0.968 684 Y HN 0.125 nan 8.280 nan 0.000 0.504 685 L N -1.163 119.984 121.223 -0.127 0.000 2.109 685 L HA -0.235 4.105 4.340 -0.000 0.000 0.207 685 L C 2.389 179.141 176.870 -0.197 0.000 1.086 685 L CA 1.217 55.965 54.840 -0.153 0.000 0.760 685 L CB -0.492 41.446 42.059 -0.202 0.000 0.910 685 L HN 0.288 nan 8.230 nan 0.000 0.437 686 M N -0.598 118.828 119.600 -0.290 0.000 2.175 686 M HA -0.207 4.273 4.480 -0.000 0.000 0.264 686 M C 2.232 178.274 176.300 -0.431 0.000 1.063 686 M CA 1.622 56.740 55.300 -0.303 0.000 1.119 686 M CB -0.307 32.114 32.600 -0.298 0.000 1.377 686 M HN 0.231 nan 8.290 nan 0.000 0.415 687 E N 0.624 120.390 120.200 -0.722 0.000 2.046 687 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 687 E C 2.016 178.272 176.600 -0.574 0.000 0.982 687 E CA 1.162 57.112 56.400 -0.750 0.000 0.800 687 E CB 0.041 29.263 29.700 -0.797 0.000 0.756 687 E HN 0.455 nan 8.360 nan 0.000 0.449 688 A N 0.298 122.891 122.820 -0.379 0.000 1.933 688 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 688 A C 2.021 179.496 177.584 -0.181 0.000 1.175 688 A CA 1.429 53.331 52.037 -0.225 0.000 0.628 688 A CB -0.879 18.044 19.000 -0.129 0.000 0.814 688 A HN 0.560 nan 8.150 nan 0.000 0.444 689 Y N 0.463 120.603 120.300 -0.268 0.000 2.145 689 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 689 Y C 2.417 178.189 175.900 -0.215 0.000 1.145 689 Y CA 2.339 60.312 58.100 -0.212 0.000 1.148 689 Y CB -0.189 38.162 38.460 -0.181 0.000 0.981 689 Y HN 0.298 nan 8.280 nan 0.000 0.507 690 K N -0.554 119.731 120.400 -0.193 0.000 2.063 690 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 690 K C 1.003 177.471 176.600 -0.219 0.000 1.048 690 K CA 2.029 58.174 56.287 -0.237 0.000 0.928 690 K CB -0.441 31.869 32.500 -0.316 0.000 0.713 690 K HN 0.576 nan 8.250 nan 0.000 0.442 691 H N 0.468 119.421 119.070 -0.195 0.000 2.555 691 H HA 0.178 4.734 4.556 -0.000 0.000 0.283 691 H C -0.053 175.111 175.328 -0.273 0.000 1.037 691 H CA 0.101 56.028 56.048 -0.203 0.000 1.169 691 H CB 0.023 29.663 29.762 -0.204 0.000 1.375 691 H HN 0.131 nan 8.280 nan 0.000 0.582 692 L N -0.093 120.978 121.223 -0.253 0.000 4.089 692 L HA -0.284 4.056 4.340 -0.000 0.000 0.408 692 L C -0.324 176.281 176.870 -0.442 0.000 1.184 692 L CA 0.612 55.210 54.840 -0.403 0.000 0.947 692 L CB -1.724 40.071 42.059 -0.440 0.000 2.066 692 L HN 0.320 nan 8.230 nan 0.000 0.851 693 K N 0.711 120.918 120.400 -0.322 0.000 2.118 693 K HA 0.484 4.804 4.320 -0.000 0.000 0.267 693 K C -2.153 174.307 176.600 -0.233 0.000 0.991 693 K CA -1.796 54.325 56.287 -0.276 0.000 0.916 693 K CB 0.730 33.123 32.500 -0.180 0.000 1.041 693 K HN -0.208 nan 8.250 nan 0.000 0.455 694 P HA 0.071 nan 4.420 nan 0.000 0.268 694 P C -0.795 176.437 177.300 -0.113 0.000 1.204 694 P CA 0.304 63.302 63.100 -0.170 0.000 0.768 694 P CB 0.442 32.044 31.700 -0.163 0.000 0.842 695 I N 1.903 122.418 120.570 -0.091 0.000 2.545 695 I HA 0.637 4.807 4.170 -0.000 0.000 0.292 695 I C -0.298 175.766 176.117 -0.089 0.000 1.040 695 I CA -0.793 60.472 61.300 -0.058 0.000 1.068 695 I CB 2.180 40.173 38.000 -0.012 0.000 1.251 695 I HN 0.261 nan 8.210 nan 0.000 0.424 696 A N 7.493 130.267 122.820 -0.077 0.000 2.343 696 A HA 0.871 5.191 4.320 -0.000 0.000 0.308 696 A C -1.165 176.494 177.584 0.125 0.000 1.092 696 A CA -0.433 51.519 52.037 -0.140 0.000 0.751 696 A CB 1.041 19.811 19.000 -0.384 0.000 1.203 696 A HN 0.658 nan 8.150 nan 0.000 0.452 697 L N 2.197 123.546 121.223 0.211 0.000 2.349 697 L HA 0.730 5.070 4.340 -0.000 0.000 0.278 697 L C 0.221 177.315 176.870 0.374 0.000 0.996 697 L CA -0.553 54.444 54.840 0.262 0.000 0.825 697 L CB 1.976 44.134 42.059 0.165 0.000 1.243 697 L HN 0.810 nan 8.230 nan 0.000 0.412 698 A N 2.281 125.240 122.820 0.232 0.000 2.337 698 A HA 0.860 5.180 4.320 -0.000 0.000 0.329 698 A C 0.586 178.184 177.584 0.024 0.000 1.146 698 A CA 0.270 52.331 52.037 0.041 0.000 0.800 698 A CB 1.324 20.168 19.000 -0.260 0.000 1.220 698 A HN 0.968 nan 8.150 nan 0.000 0.472 699 G N 1.728 110.529 108.800 0.002 0.000 2.634 699 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.309 699 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.309 699 G C 0.490 175.401 174.900 0.018 0.000 1.265 699 G CA 0.898 45.997 45.100 -0.001 0.000 0.998 699 G HN 0.726 nan 8.290 nan 0.000 0.551 700 D N 1.321 121.726 120.400 0.008 0.000 2.350 700 D HA 0.202 4.842 4.640 -0.000 0.000 0.216 700 D C 2.562 178.870 176.300 0.015 0.000 0.968 700 D CA 1.506 55.505 54.000 -0.002 0.000 0.894 700 D CB -0.629 40.162 40.800 -0.016 0.000 0.909 700 D HN 0.769 nan 8.370 nan 0.000 0.520 701 A N 0.550 123.418 122.820 0.080 0.000 2.070 701 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 701 A C 2.080 179.783 177.584 0.198 0.000 1.159 701 A CA 0.763 52.919 52.037 0.199 0.000 0.656 701 A CB -0.351 18.777 19.000 0.215 0.000 0.800 701 A HN 0.121 nan 8.150 nan 0.000 0.453 702 R N -0.304 120.261 120.500 0.107 0.000 2.241 702 R HA -0.067 4.273 4.340 -0.000 0.000 0.224 702 R C 1.367 177.690 176.300 0.038 0.000 1.101 702 R CA 0.924 57.075 56.100 0.085 0.000 0.995 702 R CB -0.063 30.274 30.300 0.061 0.000 0.870 702 R HN 0.272 nan 8.270 nan 0.000 0.463 703 K N -0.120 120.260 120.400 -0.033 0.000 2.442 703 K HA -0.099 4.221 4.320 -0.000 0.000 0.198 703 K C 1.354 177.858 176.600 -0.159 0.000 1.042 703 K CA 1.021 57.236 56.287 -0.120 0.000 0.958 703 K CB -0.086 32.292 32.500 -0.202 0.000 0.766 703 K HN 0.257 nan 8.250 nan 0.000 0.474 704 F N 1.344 121.273 119.950 -0.035 0.000 2.604 704 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 704 F C 1.954 177.711 175.800 -0.072 0.000 1.131 704 F CA 0.625 58.593 58.000 -0.054 0.000 1.457 704 F CB 0.069 39.036 39.000 -0.054 0.000 1.095 704 F HN -0.033 nan 8.300 nan 0.000 0.574 705 K N 0.262 120.717 120.400 0.092 0.000 2.211 705 K HA -0.196 4.124 4.320 -0.000 0.000 0.204 705 K C 2.244 178.823 176.600 -0.036 0.000 1.047 705 K CA 1.114 57.406 56.287 0.007 0.000 0.935 705 K CB -0.337 32.161 32.500 -0.002 0.000 0.728 705 K HN 0.257 nan 8.250 nan 0.000 0.452 706 A N 0.820 123.624 122.820 -0.027 0.000 2.015 706 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 706 A C 2.067 179.625 177.584 -0.045 0.000 1.163 706 A CA 1.732 53.743 52.037 -0.043 0.000 0.646 706 A CB -0.671 18.302 19.000 -0.045 0.000 0.806 706 A HN 0.257 nan 8.150 nan 0.000 0.448 707 T N 0.861 115.406 114.554 -0.014 0.000 2.821 707 T HA -0.050 4.300 4.350 -0.000 0.000 0.267 707 T C 1.352 175.991 174.700 -0.102 0.000 1.046 707 T CA 1.340 63.431 62.100 -0.015 0.000 1.139 707 T CB -0.489 68.418 68.868 0.065 0.000 0.871 707 T HN 0.714 nan 8.240 nan 0.000 0.454 708 I N -1.306 119.154 120.570 -0.183 0.000 3.837 708 I HA 0.475 4.644 4.170 -0.000 0.000 0.332 708 I C 0.006 175.891 176.117 -0.387 0.000 1.484 708 I CA -0.748 60.303 61.300 -0.414 0.000 1.223 708 I CB -0.428 37.150 38.000 -0.704 0.000 1.257 708 I HN -0.177 nan 8.210 nan 0.000 0.421 709 K N 2.178 122.457 120.400 -0.202 0.000 4.192 709 K HA -0.140 4.180 4.320 -0.000 0.000 0.272 709 K C -0.934 175.590 176.600 -0.127 0.000 0.751 709 K CA 0.686 56.897 56.287 -0.126 0.000 0.611 709 K CB -1.137 31.310 32.500 -0.089 0.000 1.942 709 K HN 0.757 nan 8.250 nan 0.000 0.413 710 I N -0.577 119.915 120.570 -0.131 0.000 2.739 710 I HA 0.454 4.624 4.170 -0.000 0.000 0.287 710 I C -1.316 174.772 176.117 -0.048 0.000 1.558 710 I CA 0.719 61.969 61.300 -0.083 0.000 1.050 710 I CB 1.375 39.323 38.000 -0.087 0.000 1.432 710 I HN 0.491 nan 8.210 nan 0.000 0.432 711 A N 5.016 127.826 122.820 -0.016 0.000 2.459 711 A HA -0.054 4.266 4.320 -0.000 0.000 0.685 711 A C 0.079 177.657 177.584 -0.009 0.000 0.157 711 A CA 1.020 53.055 52.037 -0.004 0.000 0.058 711 A CB -0.737 18.269 19.000 0.010 0.000 3.969 711 A HN 0.993 nan 8.150 nan 0.000 0.548 712 D N -0.513 119.885 120.400 -0.004 0.000 2.335 712 D HA 0.008 4.648 4.640 -0.000 0.000 0.284 712 D C 0.873 177.174 176.300 0.001 0.000 1.096 712 D CA 0.380 54.377 54.000 -0.004 0.000 0.844 712 D CB -0.037 40.759 40.800 -0.006 0.000 1.454 712 D HN 0.583 nan 8.370 nan 0.000 0.526 713 Q N 1.398 121.200 119.800 0.003 0.000 2.360 713 Q HA 0.320 4.660 4.340 -0.000 0.000 0.202 713 Q C 1.082 177.085 176.000 0.006 0.000 0.915 713 Q CA 0.596 56.402 55.803 0.005 0.000 0.943 713 Q CB 1.671 30.412 28.738 0.005 0.000 1.064 713 Q HN 0.404 nan 8.270 nan 0.000 0.511 714 G N 1.679 110.483 108.800 0.006 0.000 2.603 714 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 714 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 714 G C -1.310 173.594 174.900 0.008 0.000 1.286 714 G CA -0.488 44.616 45.100 0.006 0.000 0.871 714 G HN 0.143 nan 8.290 nan 0.000 0.568 715 E N -0.401 119.804 120.200 0.008 0.000 2.331 715 E HA 0.482 4.832 4.350 -0.000 0.000 0.275 715 E C -0.237 176.358 176.600 -0.009 0.000 0.895 715 E CA -0.682 55.726 56.400 0.012 0.000 0.753 715 E CB 1.378 31.105 29.700 0.045 0.000 1.216 715 E HN 0.585 nan 8.360 nan 0.000 0.434 716 E N 1.294 121.481 120.200 -0.021 0.000 2.480 716 E HA 0.231 4.581 4.350 -0.000 0.000 0.258 716 E C 0.678 177.235 176.600 -0.071 0.000 0.984 716 E CA 1.576 57.948 56.400 -0.047 0.000 0.930 716 E CB 0.523 30.195 29.700 -0.047 0.000 0.936 716 E HN 0.825 nan 8.360 nan 0.000 0.466 717 G N 3.144 111.887 108.800 -0.095 0.000 2.238 717 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 717 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 717 G C 0.008 174.851 174.900 -0.097 0.000 0.996 717 G CA -0.512 44.511 45.100 -0.128 0.000 0.632 717 G HN 0.416 nan 8.290 nan 0.000 0.503 718 I N 2.303 122.839 120.570 -0.057 0.000 2.382 718 I HA 0.493 4.663 4.170 -0.000 0.000 0.285 718 I C 0.367 176.433 176.117 -0.085 0.000 1.007 718 I CA -1.165 60.108 61.300 -0.044 0.000 1.142 718 I CB 1.249 39.258 38.000 0.015 0.000 1.289 718 I HN -0.090 nan 8.210 nan 0.000 0.453 719 V N 7.402 127.219 119.914 -0.161 0.000 2.432 719 V HA 0.375 4.495 4.120 -0.000 0.000 0.275 719 V C 0.277 176.261 176.094 -0.184 0.000 1.043 719 V CA -0.449 61.697 62.300 -0.257 0.000 0.925 719 V CB 1.200 32.718 31.823 -0.509 0.000 0.985 719 V HN 0.850 nan 8.190 nan 0.000 0.466 720 E N 4.238 124.417 120.200 -0.036 0.000 2.331 720 E HA 0.890 5.240 4.350 -0.000 0.000 0.275 720 E C -0.978 175.760 176.600 0.231 0.000 0.895 720 E CA -1.013 55.471 56.400 0.140 0.000 0.753 720 E CB 2.666 32.416 29.700 0.084 0.000 1.216 720 E HN 0.780 nan 8.360 nan 0.000 0.434 721 A N 1.893 124.895 122.820 0.302 0.000 2.586 721 A HA 0.350 4.670 4.320 -0.000 0.000 0.291 721 A C -0.551 177.083 177.584 0.084 0.000 1.062 721 A CA -0.636 51.521 52.037 0.199 0.000 0.666 721 A CB 1.271 20.441 19.000 0.283 0.000 1.281 721 A HN 0.597 nan 8.150 nan 0.000 0.421 722 D N 0.568 120.987 120.400 0.032 0.000 2.178 722 D HA 0.025 4.665 4.640 -0.000 0.000 0.201 722 D C 1.080 177.345 176.300 -0.058 0.000 0.980 722 D CA 2.398 56.394 54.000 -0.006 0.000 0.842 722 D CB 0.073 40.869 40.800 -0.007 0.000 0.948 722 D HN 0.815 nan 8.370 nan 0.000 0.472 723 S N -1.640 113.993 115.700 -0.110 0.000 2.607 723 S HA 0.701 5.171 4.470 -0.000 0.000 0.273 723 S C -0.934 173.394 174.600 -0.454 0.000 1.148 723 S CA -0.895 57.174 58.200 -0.218 0.000 0.833 723 S CB 2.110 65.226 63.200 -0.139 0.000 1.130 723 S HN 0.032 nan 8.310 nan 0.000 0.470 724 A N 1.882 124.333 122.820 -0.616 0.000 2.376 724 A HA 0.600 4.920 4.320 -0.000 0.000 0.298 724 A C -0.087 177.282 177.584 -0.358 0.000 1.271 724 A CA -0.221 51.243 52.037 -0.955 0.000 0.926 724 A CB -1.037 17.502 19.000 -0.768 0.000 1.141 724 A HN 0.894 nan 8.150 nan 0.000 0.539 725 D N 1.521 121.825 120.400 -0.160 0.000 2.723 725 D HA 0.533 5.173 4.640 -0.000 0.000 0.247 725 D C 1.274 177.618 176.300 0.073 0.000 1.134 725 D CA 0.102 54.090 54.000 -0.020 0.000 1.099 725 D CB -0.075 40.722 40.800 -0.005 0.000 1.287 725 D HN 0.202 nan 8.370 nan 0.000 0.634 726 G N -0.630 108.202 108.800 0.053 0.000 2.421 726 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 726 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 726 G C 1.489 176.438 174.900 0.082 0.000 1.171 726 G CA 1.331 46.466 45.100 0.059 0.000 0.775 726 G HN 0.434 nan 8.290 nan 0.000 0.543 727 S N -0.379 115.374 115.700 0.088 0.000 2.368 727 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 727 S C 2.052 176.730 174.600 0.131 0.000 1.029 727 S CA 1.285 59.537 58.200 0.087 0.000 0.988 727 S CB -0.407 62.836 63.200 0.072 0.000 0.838 727 S HN 0.360 nan 8.310 nan 0.000 0.462 728 F N 2.108 122.057 119.950 -0.003 0.000 2.095 728 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 728 F C 2.046 177.843 175.800 -0.005 0.000 1.104 728 F CA 1.677 59.675 58.000 -0.003 0.000 1.232 728 F CB -0.378 38.622 39.000 -0.001 0.000 0.987 728 F HN 0.194 nan 8.300 nan 0.000 0.475 729 M N 0.181 119.969 119.600 0.314 0.000 2.229 729 M HA -0.151 4.329 4.480 -0.000 0.000 0.264 729 M C 1.733 178.060 176.300 0.045 0.000 1.063 729 M CA 1.263 56.664 55.300 0.170 0.000 1.114 729 M CB -1.344 31.355 32.600 0.165 0.000 1.387 729 M HN 0.128 nan 8.290 nan 0.000 0.420 730 D N 0.468 120.892 120.400 0.040 0.000 2.117 730 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 730 D C 1.993 178.279 176.300 -0.024 0.000 0.987 730 D CA 1.105 55.111 54.000 0.010 0.000 0.829 730 D CB -0.095 40.716 40.800 0.017 0.000 0.961 730 D HN 0.453 nan 8.370 nan 0.000 0.460 731 E N 0.255 120.428 120.200 -0.046 0.000 2.058 731 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 731 E C 2.092 178.619 176.600 -0.122 0.000 0.997 731 E CA 0.303 56.650 56.400 -0.087 0.000 0.801 731 E CB -0.084 29.541 29.700 -0.125 0.000 0.746 731 E HN 0.152 nan 8.360 nan 0.000 0.450 732 L N 1.097 122.220 121.223 -0.167 0.000 2.017 732 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 732 L C 2.184 178.998 176.870 -0.094 0.000 1.073 732 L CA 1.613 56.353 54.840 -0.166 0.000 0.745 732 L CB -0.598 41.340 42.059 -0.203 0.000 0.894 732 L HN 0.231 nan 8.230 nan 0.000 0.432 733 L N -0.486 120.702 121.223 -0.057 0.000 2.191 733 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 733 L C 2.420 179.270 176.870 -0.032 0.000 1.103 733 L CA 1.433 56.253 54.840 -0.033 0.000 0.769 733 L CB -0.655 41.395 42.059 -0.015 0.000 0.908 733 L HN 0.269 nan 8.230 nan 0.000 0.438 734 T N -0.136 114.394 114.554 -0.039 0.000 2.812 734 T HA -0.096 4.254 4.350 -0.000 0.000 0.264 734 T C 1.956 176.627 174.700 -0.047 0.000 1.042 734 T CA 0.977 63.058 62.100 -0.032 0.000 1.140 734 T CB -0.129 68.720 68.868 -0.032 0.000 0.870 734 T HN 0.184 nan 8.240 nan 0.000 0.445 735 L N 0.370 121.547 121.223 -0.077 0.000 2.046 735 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 735 L C 2.704 179.512 176.870 -0.102 0.000 1.077 735 L CA 1.322 56.096 54.840 -0.109 0.000 0.747 735 L CB -0.512 41.462 42.059 -0.141 0.000 0.896 735 L HN 0.311 nan 8.230 nan 0.000 0.432 736 M N -0.810 118.746 119.600 -0.073 0.000 2.159 736 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 736 M C 2.431 178.734 176.300 0.005 0.000 1.063 736 M CA 1.758 57.034 55.300 -0.040 0.000 1.110 736 M CB -0.465 32.121 32.600 -0.024 0.000 1.374 736 M HN 0.316 nan 8.290 nan 0.000 0.411 737 A N 0.127 122.951 122.820 0.006 0.000 2.070 737 A HA 0.053 4.373 4.320 -0.000 0.000 0.220 737 A C 2.051 179.672 177.584 0.062 0.000 1.159 737 A CA 1.641 53.699 52.037 0.035 0.000 0.656 737 A CB -0.609 18.406 19.000 0.025 0.000 0.800 737 A HN 0.504 nan 8.150 nan 0.000 0.453 738 A N -2.463 120.374 122.820 0.029 0.000 2.337 738 A HA 0.382 4.702 4.320 -0.000 0.000 0.227 738 A C 0.895 178.508 177.584 0.049 0.000 1.259 738 A CA 1.077 53.145 52.037 0.052 0.000 0.870 738 A CB -0.523 18.470 19.000 -0.012 0.000 0.927 738 A HN 0.865 nan 8.150 nan 0.000 0.497 739 H N -0.955 118.063 119.070 -0.088 0.000 4.891 739 H HA -0.204 4.352 4.556 -0.000 0.000 0.059 739 H C 0.139 175.248 175.328 -0.365 0.000 0.587 739 H CA 2.497 58.468 56.048 -0.129 0.000 0.970 739 H CB -0.520 29.265 29.762 0.039 0.000 0.535 739 H HN 0.464 nan 8.280 nan 0.000 0.802 740 R N -0.406 119.538 120.500 -0.927 0.000 2.867 740 R HA 0.613 4.953 4.340 -0.000 0.000 0.268 740 R C -0.594 174.887 176.300 -1.366 0.000 1.014 740 R CA -0.307 55.002 56.100 -1.318 0.000 0.946 740 R CB 1.640 30.785 30.300 -1.925 0.000 1.208 740 R HN 0.083 nan 8.270 nan 0.000 0.477 741 V N 2.370 121.686 119.914 -0.997 0.000 2.221 741 V HA 0.114 4.234 4.120 -0.000 0.000 0.258 741 V C 0.602 176.342 176.094 -0.591 0.000 1.179 741 V CA -0.409 61.485 62.300 -0.676 0.000 1.022 741 V CB -0.269 31.285 31.823 -0.449 0.000 1.228 741 V HN 0.705 nan 8.190 nan 0.000 0.487 742 W N 1.498 122.529 121.300 -0.447 0.000 2.425 742 W HA -0.159 4.501 4.660 -0.000 0.000 0.277 742 W C 2.543 178.859 176.519 -0.338 0.000 1.231 742 W CA 0.819 57.818 57.345 -0.576 0.000 1.248 742 W CB -0.387 28.356 29.460 -1.195 0.000 1.117 742 W HN 0.644 nan 8.180 nan 0.000 0.568 743 S N 0.941 116.602 115.700 -0.066 0.000 2.469 743 S HA -0.191 4.279 4.470 -0.000 0.000 0.238 743 S C 1.736 176.303 174.600 -0.055 0.000 0.998 743 S CA 1.030 59.207 58.200 -0.037 0.000 0.957 743 S CB -0.452 62.724 63.200 -0.041 0.000 0.764 743 S HN 0.426 nan 8.310 nan 0.000 0.514 744 R N 0.658 121.085 120.500 -0.122 0.000 2.313 744 R HA 0.258 4.598 4.340 -0.000 0.000 0.199 744 R C 1.695 177.936 176.300 -0.097 0.000 0.958 744 R CA 0.233 56.243 56.100 -0.150 0.000 1.047 744 R CB -0.373 29.727 30.300 -0.332 0.000 0.955 744 R HN 0.484 nan 8.270 nan 0.000 0.481 745 I N 2.043 122.597 120.570 -0.027 0.000 2.118 745 I HA -0.240 3.930 4.170 -0.000 0.000 0.241 745 I C -0.754 175.395 176.117 0.054 0.000 1.070 745 I CA 1.409 62.737 61.300 0.046 0.000 1.327 745 I CB -1.015 37.065 38.000 0.133 0.000 1.034 745 I HN 0.176 nan 8.210 nan 0.000 0.405 746 P HA -0.190 nan 4.420 nan 0.000 0.216 746 P C 1.264 178.597 177.300 0.056 0.000 1.150 746 P CA 1.635 64.768 63.100 0.056 0.000 0.843 746 P CB -0.086 31.642 31.700 0.048 0.000 0.787 747 K N -0.559 119.872 120.400 0.052 0.000 2.366 747 K HA 0.017 4.337 4.320 -0.000 0.000 0.198 747 K C 2.012 178.682 176.600 0.116 0.000 1.044 747 K CA 0.657 56.997 56.287 0.088 0.000 0.973 747 K CB -0.448 32.127 32.500 0.126 0.000 0.767 747 K HN 0.311 nan 8.250 nan 0.000 0.475 748 I N -2.228 118.386 120.570 0.073 0.000 2.852 748 I HA -0.013 4.157 4.170 -0.000 0.000 0.264 748 I C 0.727 176.890 176.117 0.077 0.000 1.179 748 I CA 0.954 62.301 61.300 0.079 0.000 1.480 748 I CB 0.107 38.111 38.000 0.005 0.000 1.111 748 I HN -0.122 nan 8.210 nan 0.000 0.441 749 D N 1.966 122.411 120.400 0.075 0.000 2.338 749 D HA -0.060 4.580 4.640 -0.000 0.000 0.239 749 D C 1.670 178.009 176.300 0.065 0.000 1.095 749 D CA 0.453 54.497 54.000 0.073 0.000 0.888 749 D CB 0.131 40.980 40.800 0.082 0.000 0.899 749 D HN 0.478 nan 8.370 nan 0.000 0.525 750 K N 0.999 121.437 120.400 0.063 0.000 2.335 750 K HA 0.004 4.324 4.320 -0.000 0.000 0.195 750 K C 0.647 177.275 176.600 0.047 0.000 1.058 750 K CA -0.119 56.199 56.287 0.051 0.000 0.988 750 K CB 0.458 32.985 32.500 0.045 0.000 0.880 750 K HN 0.074 nan 8.250 nan 0.000 0.513 751 I N 2.410 123.015 120.570 0.057 0.000 2.683 751 I HA 0.118 4.288 4.170 -0.000 0.000 0.286 751 I C -2.302 173.841 176.117 0.044 0.000 1.175 751 I CA -1.959 59.368 61.300 0.044 0.000 1.429 751 I CB -0.273 37.759 38.000 0.053 0.000 1.371 751 I HN -0.068 nan 8.210 nan 0.000 0.569 752 P HA 0.514 nan 4.420 nan 0.000 0.241 752 P C -0.724 176.629 177.300 0.089 0.000 1.780 752 P CA -0.004 63.128 63.100 0.054 0.000 1.111 752 P CB 0.346 32.071 31.700 0.043 0.000 1.852 753 A N 0.000 122.876 122.820 0.093 0.000 2.254 753 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 753 A CA 0.000 52.143 52.037 0.176 0.000 0.836 753 A CB 0.000 19.012 19.000 0.019 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486