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 1ggj_1_D DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGANTPIF 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 -0.027 0.000 2.045 27 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.024 0.000 0.688 28 S N -0.043 115.635 115.700 -0.036 0.000 4.483 28 S HA -0.016 4.467 4.470 0.021 0.000 0.144 28 S C 0.097 174.661 174.600 -0.060 0.000 0.823 28 S CA -0.043 58.129 58.200 -0.047 0.000 0.928 28 S CB -1.572 61.605 63.200 -0.038 0.000 0.409 28 S HN 0.195 nan 8.310 nan 0.000 0.786 29 L N 1.155 122.335 121.223 -0.073 0.000 2.554 29 L HA 0.516 4.868 4.340 0.021 0.000 0.225 29 L C 1.500 178.296 176.870 -0.122 0.000 1.104 29 L CA 0.537 55.330 54.840 -0.077 0.000 0.866 29 L CB -0.222 41.803 42.059 -0.056 0.000 1.047 29 L HN 0.627 nan 8.230 nan 0.000 0.468 30 A N 1.693 124.388 122.820 -0.209 0.000 2.466 30 A HA 0.367 4.700 4.320 0.021 0.000 0.238 30 A C -2.066 175.375 177.584 -0.238 0.000 1.074 30 A CA -0.747 51.053 52.037 -0.395 0.000 0.774 30 A CB -0.587 17.891 19.000 -0.871 0.000 1.015 30 A HN -0.013 nan 8.150 nan 0.000 0.498 31 P HA 0.260 nan 4.420 nan 0.000 0.280 31 P C -0.569 176.715 177.300 -0.026 0.000 1.244 31 P CA -0.286 62.781 63.100 -0.055 0.000 0.784 31 P CB 0.796 32.500 31.700 0.006 0.000 0.913 32 E N 2.975 123.165 120.200 -0.015 0.000 2.376 32 E HA 0.099 4.461 4.350 0.021 0.000 0.266 32 E C 0.507 177.123 176.600 0.027 0.000 1.009 32 E CA 0.917 57.319 56.400 0.004 0.000 0.902 32 E CB 0.032 29.731 29.700 -0.002 0.000 0.972 32 E HN 0.653 nan 8.360 nan 0.000 0.439 33 D N 2.502 122.930 120.400 0.047 0.000 4.094 33 D HA -0.128 4.524 4.640 0.021 0.000 0.115 33 D C 0.788 177.137 176.300 0.082 0.000 0.478 33 D CA 1.062 55.093 54.000 0.051 0.000 0.651 33 D CB -1.787 39.037 40.800 0.040 0.000 1.559 33 D HN 1.106 nan 8.370 nan 0.000 0.251 34 G N 0.484 109.374 108.800 0.150 0.000 2.249 34 G HA2 -0.269 3.703 3.960 0.021 0.000 0.273 34 G HA3 -0.269 3.703 3.960 0.021 0.000 0.273 34 G C 0.916 175.903 174.900 0.145 0.000 1.036 34 G CA 1.633 46.877 45.100 0.241 0.000 0.824 34 G HN 1.507 nan 8.290 nan 0.000 0.504 35 S N -0.095 115.707 115.700 0.170 0.000 2.561 35 S HA -0.031 4.452 4.470 0.021 0.000 0.225 35 S C 1.931 176.577 174.600 0.077 0.000 0.977 35 S CA 1.052 59.300 58.200 0.080 0.000 0.926 35 S CB -0.378 62.860 63.200 0.064 0.000 0.769 35 S HN 0.929 nan 8.310 nan 0.000 0.533 36 H N 1.261 120.338 119.070 0.011 0.000 2.495 36 H HA 0.218 4.786 4.556 0.021 0.000 0.287 36 H C 0.829 176.168 175.328 0.019 0.000 1.033 36 H CA 0.557 56.613 56.048 0.013 0.000 1.307 36 H CB -0.284 29.484 29.762 0.011 0.000 1.401 36 H HN 0.316 nan 8.280 nan 0.000 0.555 37 R N 2.694 122.800 120.500 -0.656 0.000 2.295 37 R HA 0.347 4.699 4.340 0.021 0.000 0.324 37 R C -2.636 173.555 176.300 -0.183 0.000 0.968 37 R CA -2.345 53.494 56.100 -0.435 0.000 0.837 37 R CB 0.826 30.761 30.300 -0.609 0.000 1.133 37 R HN 0.091 nan 8.270 nan 0.000 0.450 38 P HA 0.160 nan 4.420 nan 0.000 0.271 38 P C -0.866 176.422 177.300 -0.021 0.000 1.216 38 P CA -0.380 62.703 63.100 -0.028 0.000 0.776 38 P CB 1.031 32.741 31.700 0.016 0.000 0.881 39 A N 2.803 125.618 122.820 -0.008 0.000 2.483 39 A HA 0.379 4.712 4.320 0.021 0.000 0.238 39 A C 0.864 178.457 177.584 0.014 0.000 1.070 39 A CA 0.138 52.175 52.037 -0.000 0.000 0.770 39 A CB -0.360 18.643 19.000 0.005 0.000 1.008 39 A HN 0.582 nan 8.150 nan 0.000 0.497 40 A N 1.951 124.780 122.820 0.015 0.000 3.126 40 A HA 0.543 4.875 4.320 0.021 0.000 0.268 40 A C 0.131 177.732 177.584 0.028 0.000 1.605 40 A CA 0.301 52.353 52.037 0.025 0.000 1.305 40 A CB -0.759 18.253 19.000 0.020 0.000 1.160 40 A HN 1.045 nan 8.150 nan 0.000 0.609 41 E N 0.213 120.432 120.200 0.032 0.000 2.388 41 E HA 0.526 4.889 4.350 0.021 0.000 0.280 41 E C -3.320 173.301 176.600 0.035 0.000 1.019 41 E CA -1.635 54.785 56.400 0.033 0.000 0.806 41 E CB 1.143 30.857 29.700 0.025 0.000 1.246 41 E HN 0.022 nan 8.360 nan 0.000 0.443 42 P HA 0.111 nan 4.420 nan 0.000 0.262 42 P C -0.977 176.332 177.300 0.016 0.000 1.182 42 P CA 0.282 63.395 63.100 0.023 0.000 0.761 42 P CB 0.379 32.078 31.700 -0.001 0.000 0.795 43 T N 1.066 115.627 114.554 0.012 0.000 2.952 43 T HA 0.534 4.896 4.350 0.021 0.000 0.305 43 T C -3.000 171.679 174.700 -0.034 0.000 1.064 43 T CA -2.588 59.513 62.100 0.002 0.000 1.008 43 T CB 1.667 70.541 68.868 0.009 0.000 1.078 43 T HN 0.067 nan 8.240 nan 0.000 0.459 44 P HA 0.235 nan 4.420 nan 0.000 0.269 44 P C -2.669 174.496 177.300 -0.226 0.000 1.217 44 P CA -1.176 61.782 63.100 -0.238 0.000 0.783 44 P CB -0.969 30.647 31.700 -0.141 0.000 0.898 45 P HA 0.016 nan 4.420 nan 0.000 0.261 45 P C 1.111 178.363 177.300 -0.080 0.000 1.183 45 P CA 1.498 64.495 63.100 -0.171 0.000 0.761 45 P CB -0.407 31.187 31.700 -0.176 0.000 0.785 46 G N 2.924 111.709 108.800 -0.025 0.000 2.199 46 G HA2 -0.332 3.641 3.960 0.021 0.000 0.254 46 G HA3 -0.332 3.641 3.960 0.021 0.000 0.254 46 G C 1.109 176.008 174.900 -0.001 0.000 0.982 46 G CA 0.404 45.502 45.100 -0.002 0.000 0.632 46 G HN 0.672 nan 8.290 nan 0.000 0.529 47 A N -0.939 121.875 122.820 -0.008 0.000 1.930 47 A HA 0.408 4.741 4.320 0.021 0.000 0.215 47 A C 1.376 178.965 177.584 0.007 0.000 1.176 47 A CA 1.934 53.970 52.037 -0.000 0.000 0.632 47 A CB -0.020 18.977 19.000 -0.004 0.000 0.819 47 A HN 0.538 nan 8.150 nan 0.000 0.445 48 Q N -0.791 119.016 119.800 0.012 0.000 2.451 48 Q HA 0.454 4.807 4.340 0.021 0.000 0.281 48 Q C -2.940 173.075 176.000 0.026 0.000 1.099 48 Q CA -2.354 53.459 55.803 0.017 0.000 0.806 48 Q CB 0.558 29.309 28.738 0.021 0.000 1.419 48 Q HN 0.055 nan 8.270 nan 0.000 0.427 49 P HA 0.005 nan 4.420 nan 0.000 0.264 49 P C -0.168 177.162 177.300 0.050 0.000 1.193 49 P CA 0.201 63.315 63.100 0.023 0.000 0.763 49 P CB 0.213 31.922 31.700 0.016 0.000 0.810 50 T N 0.153 114.738 114.554 0.051 0.000 2.802 50 T HA 0.582 4.945 4.350 0.021 0.000 0.305 50 T C 0.048 174.834 174.700 0.144 0.000 1.053 50 T CA -0.455 61.726 62.100 0.135 0.000 1.058 50 T CB 0.662 69.557 68.868 0.046 0.000 0.988 50 T HN 0.563 nan 8.240 nan 0.000 0.539 51 A N 1.447 124.453 122.820 0.310 0.000 2.610 51 A HA 0.744 5.077 4.320 0.021 0.000 0.291 51 A C -3.094 174.761 177.584 0.452 0.000 1.086 51 A CA -1.961 50.237 52.037 0.269 0.000 0.677 51 A CB 0.532 19.635 19.000 0.172 0.000 1.278 51 A HN 0.652 nan 8.150 nan 0.000 0.414 52 P HA 0.087 nan 4.420 nan 0.000 0.263 52 P C 1.266 178.721 177.300 0.259 0.000 1.175 52 P CA 1.101 64.418 63.100 0.362 0.000 0.761 52 P CB 0.533 32.364 31.700 0.220 0.000 0.794 53 G N 2.539 111.451 108.800 0.187 0.000 2.476 53 G HA2 -0.309 3.664 3.960 0.021 0.000 0.218 53 G HA3 -0.309 3.664 3.960 0.021 0.000 0.218 53 G C 1.592 176.510 174.900 0.030 0.000 1.164 53 G CA 1.152 46.273 45.100 0.036 0.000 0.768 53 G HN 0.590 nan 8.290 nan 0.000 0.560 54 S N 0.122 115.843 115.700 0.034 0.000 2.447 54 S HA 0.091 4.574 4.470 0.021 0.000 0.233 54 S C 2.236 176.855 174.600 0.031 0.000 1.006 54 S CA 1.026 59.233 58.200 0.011 0.000 0.957 54 S CB -0.203 62.999 63.200 0.003 0.000 0.773 54 S HN 0.330 nan 8.310 nan 0.000 0.507 55 L N -0.189 121.069 121.223 0.058 0.000 2.253 55 L HA 0.251 4.603 4.340 0.021 0.000 0.205 55 L C 2.708 179.611 176.870 0.055 0.000 1.078 55 L CA 0.833 55.707 54.840 0.056 0.000 0.805 55 L CB -0.377 41.725 42.059 0.071 0.000 0.963 55 L HN 0.244 nan 8.230 nan 0.000 0.459 56 K N 1.448 121.892 120.400 0.073 0.000 2.062 56 K HA 0.018 4.351 4.320 0.021 0.000 0.205 56 K C 0.671 177.301 176.600 0.050 0.000 1.051 56 K CA 1.303 57.633 56.287 0.072 0.000 0.941 56 K CB 0.087 32.648 32.500 0.101 0.000 0.719 56 K HN 0.165 nan 8.250 nan 0.000 0.440 57 A N 0.688 123.529 122.820 0.036 0.000 3.216 57 A HA 0.353 4.685 4.320 0.021 0.000 0.321 57 A C -2.237 175.353 177.584 0.009 0.000 1.042 57 A CA -1.042 51.013 52.037 0.030 0.000 0.838 57 A CB 0.721 19.745 19.000 0.041 0.000 1.136 57 A HN 0.131 nan 8.150 nan 0.000 0.483 58 P HA -0.105 nan 4.420 nan 0.000 0.220 58 P C 0.152 177.446 177.300 -0.011 0.000 1.148 58 P CA 1.205 64.304 63.100 -0.002 0.000 0.803 58 P CB 0.332 32.035 31.700 0.005 0.000 0.782 59 D N -1.029 119.369 120.400 -0.003 0.000 2.349 59 D HA 0.002 4.655 4.640 0.021 0.000 0.215 59 D C 0.321 176.610 176.300 -0.018 0.000 1.016 59 D CA 0.650 54.646 54.000 -0.008 0.000 0.870 59 D CB -0.602 40.201 40.800 0.005 0.000 0.917 59 D HN 0.103 nan 8.370 nan 0.000 0.524 60 T N 2.998 117.539 114.554 -0.021 0.000 2.738 60 T HA 0.263 4.626 4.350 0.021 0.000 0.294 60 T C 0.452 175.106 174.700 -0.076 0.000 0.914 60 T CA -0.393 61.680 62.100 -0.045 0.000 1.052 60 T CB 0.788 69.631 68.868 -0.042 0.000 0.897 60 T HN -0.152 nan 8.240 nan 0.000 0.522 61 R N 2.992 123.440 120.500 -0.087 0.000 2.912 61 R HA 0.697 5.050 4.340 0.021 0.000 0.262 61 R C -0.251 175.984 176.300 -0.108 0.000 1.057 61 R CA -1.055 54.986 56.100 -0.098 0.000 0.981 61 R CB 1.513 31.764 30.300 -0.081 0.000 1.201 61 R HN 0.788 nan 8.270 nan 0.000 0.484 62 N N -2.585 116.054 118.700 -0.101 0.000 3.020 62 N HA 0.046 4.798 4.740 0.021 0.000 0.248 62 N C 0.177 175.639 175.510 -0.079 0.000 1.480 62 N CA -0.758 52.244 53.050 -0.079 0.000 0.874 62 N CB 0.718 39.184 38.487 -0.035 0.000 1.433 62 N HN 0.539 nan 8.380 nan 0.000 0.530 63 E N -0.318 119.850 120.200 -0.054 0.000 2.077 63 E HA -0.249 4.113 4.350 0.021 0.000 0.193 63 E C 1.025 177.555 176.600 -0.117 0.000 0.989 63 E CA 1.397 57.760 56.400 -0.062 0.000 0.800 63 E CB 0.079 29.767 29.700 -0.020 0.000 0.746 63 E HN 0.478 nan 8.360 nan 0.000 0.452 64 K N 0.723 121.018 120.400 -0.174 0.000 2.057 64 K HA -0.078 4.255 4.320 0.021 0.000 0.206 64 K C 2.097 178.538 176.600 -0.265 0.000 1.050 64 K CA 1.099 57.190 56.287 -0.326 0.000 0.935 64 K CB -0.405 31.722 32.500 -0.622 0.000 0.715 64 K HN 0.166 nan 8.250 nan 0.000 0.439 65 L N 0.857 121.938 121.223 -0.236 0.000 2.083 65 L HA -0.208 4.144 4.340 0.021 0.000 0.209 65 L C 1.814 178.575 176.870 -0.182 0.000 1.083 65 L CA 1.282 55.961 54.840 -0.268 0.000 0.752 65 L CB -0.570 41.322 42.059 -0.278 0.000 0.899 65 L HN 0.248 nan 8.230 nan 0.000 0.433 66 N N -0.452 118.165 118.700 -0.138 0.000 2.270 66 N HA -0.139 4.613 4.740 0.021 0.000 0.181 66 N C 2.083 177.535 175.510 -0.097 0.000 1.016 66 N CA 1.548 54.538 53.050 -0.101 0.000 0.870 66 N CB -0.351 38.090 38.487 -0.078 0.000 0.979 66 N HN 0.359 nan 8.380 nan 0.000 0.431 67 S N 0.519 116.150 115.700 -0.114 0.000 2.447 67 S HA 0.021 4.503 4.470 0.021 0.000 0.233 67 S C 1.798 176.336 174.600 -0.104 0.000 1.006 67 S CA 0.428 58.567 58.200 -0.103 0.000 0.957 67 S CB -0.458 62.673 63.200 -0.114 0.000 0.773 67 S HN 0.243 nan 8.310 nan 0.000 0.507 68 L N 0.705 121.853 121.223 -0.125 0.000 2.552 68 L HA 0.183 4.535 4.340 0.021 0.000 0.227 68 L C 2.644 179.465 176.870 -0.080 0.000 1.146 68 L CA 0.570 55.343 54.840 -0.111 0.000 0.858 68 L CB -0.406 41.569 42.059 -0.140 0.000 0.969 68 L HN 0.271 nan 8.230 nan 0.000 0.451 69 E N 1.037 121.193 120.200 -0.073 0.000 2.160 69 E HA -0.251 4.112 4.350 0.021 0.000 0.195 69 E C 1.734 178.311 176.600 -0.039 0.000 0.991 69 E CA 1.426 57.795 56.400 -0.051 0.000 0.810 69 E CB -0.096 29.576 29.700 -0.046 0.000 0.742 69 E HN 0.565 nan 8.360 nan 0.000 0.466 70 D N -0.483 119.892 120.400 -0.041 0.000 2.263 70 D HA -0.141 4.512 4.640 0.021 0.000 0.208 70 D C 1.592 177.873 176.300 -0.032 0.000 0.971 70 D CA 1.633 55.613 54.000 -0.034 0.000 0.867 70 D CB -0.185 40.594 40.800 -0.035 0.000 0.929 70 D HN 0.300 nan 8.370 nan 0.000 0.492 71 V N -3.434 116.458 119.914 -0.036 0.000 3.605 71 V HA 0.332 4.464 4.120 0.021 0.000 0.284 71 V C 0.960 177.042 176.094 -0.021 0.000 1.386 71 V CA -0.661 61.622 62.300 -0.029 0.000 1.053 71 V CB -0.453 31.351 31.823 -0.032 0.000 0.857 71 V HN -0.165 nan 8.190 nan 0.000 0.436 72 R N 2.087 122.574 120.500 -0.022 0.000 2.537 72 R HA 0.381 4.733 4.340 0.021 0.000 0.280 72 R C -0.115 176.182 176.300 -0.005 0.000 1.058 72 R CA 0.212 56.307 56.100 -0.008 0.000 1.057 72 R CB 0.600 30.895 30.300 -0.009 0.000 0.973 72 R HN 0.389 nan 8.270 nan 0.000 0.438 73 K N 1.251 121.653 120.400 0.003 0.000 2.345 73 K HA 0.346 4.679 4.320 0.021 0.000 0.255 73 K C -0.174 176.441 176.600 0.024 0.000 0.934 73 K CA -0.493 55.788 56.287 -0.010 0.000 0.801 73 K CB 1.881 34.363 32.500 -0.029 0.000 1.137 73 K HN 0.730 nan 8.250 nan 0.000 0.424 74 G N 0.420 109.249 108.800 0.047 0.000 2.509 74 G HA2 0.282 4.255 3.960 0.021 0.000 0.269 74 G HA3 0.282 4.255 3.960 0.021 0.000 0.269 74 G C 0.333 175.322 174.900 0.148 0.000 1.416 74 G CA 0.187 45.362 45.100 0.124 0.000 1.052 74 G HN 0.704 nan 8.290 nan 0.000 0.542 75 S N -2.475 113.367 115.700 0.237 0.000 3.352 75 S HA 0.134 4.617 4.470 0.021 0.000 0.242 75 S C 0.266 175.013 174.600 0.246 0.000 1.075 75 S CA -0.166 58.173 58.200 0.231 0.000 1.026 75 S CB -0.009 63.265 63.200 0.123 0.000 1.009 75 S HN 0.542 nan 8.310 nan 0.000 0.429 76 E N 3.244 123.526 120.200 0.137 0.000 2.502 76 E HA 0.180 4.543 4.350 0.021 0.000 0.261 76 E C -0.268 176.282 176.600 -0.084 0.000 0.974 76 E CA 0.426 56.851 56.400 0.041 0.000 0.936 76 E CB -0.030 29.682 29.700 0.020 0.000 0.926 76 E HN 0.422 nan 8.360 nan 0.000 0.459 77 N N 0.219 118.862 118.700 -0.095 0.000 2.828 77 N HA -0.213 4.539 4.740 0.021 0.000 0.248 77 N C -1.127 174.230 175.510 -0.256 0.000 1.044 77 N CA 1.218 54.157 53.050 -0.184 0.000 0.851 77 N CB -1.465 36.874 38.487 -0.247 0.000 1.136 77 N HN 0.389 nan 8.380 nan 0.000 0.572 78 Y N 0.547 120.851 120.300 0.008 0.000 2.420 78 Y HA 0.647 5.211 4.550 0.022 0.000 0.334 78 Y C 0.856 176.758 175.900 0.004 0.000 1.094 78 Y CA -0.735 57.369 58.100 0.006 0.000 1.126 78 Y CB 1.162 39.626 38.460 0.007 0.000 1.217 78 Y HN 0.134 nan 8.280 nan 0.000 0.462 79 A N 2.738 125.683 122.820 0.209 0.000 2.388 79 A HA 0.410 4.743 4.320 0.021 0.000 0.257 79 A C -0.758 176.876 177.584 0.084 0.000 1.095 79 A CA -0.510 51.591 52.037 0.108 0.000 0.791 79 A CB 0.062 19.114 19.000 0.086 0.000 1.029 79 A HN 0.709 nan 8.150 nan 0.000 0.489 80 L N 3.234 124.486 121.223 0.050 0.000 2.360 80 L HA 0.506 4.858 4.340 0.021 0.000 0.276 80 L C 0.640 177.520 176.870 0.017 0.000 1.121 80 L CA 1.081 55.937 54.840 0.027 0.000 0.845 80 L CB 0.323 42.389 42.059 0.012 0.000 1.143 80 L HN 0.901 nan 8.230 nan 0.000 0.452 81 T N 0.368 114.926 114.554 0.007 0.000 2.864 81 T HA 0.688 5.051 4.350 0.021 0.000 0.289 81 T C 0.250 174.954 174.700 0.007 0.000 1.082 81 T CA -0.185 61.922 62.100 0.011 0.000 1.009 81 T CB 1.028 69.903 68.868 0.011 0.000 1.234 81 T HN 0.750 nan 8.240 nan 0.000 0.526 82 T N 0.097 114.670 114.554 0.032 0.000 2.729 82 T HA 0.255 4.617 4.350 0.021 0.000 0.298 82 T C 1.042 175.759 174.700 0.027 0.000 1.013 82 T CA -0.563 61.564 62.100 0.045 0.000 0.957 82 T CB -0.068 68.873 68.868 0.121 0.000 1.130 82 T HN 0.555 nan 8.240 nan 0.000 0.526 83 N N 0.363 119.083 118.700 0.032 0.000 2.459 83 N HA -0.053 4.699 4.740 0.021 0.000 0.181 83 N C 1.583 177.109 175.510 0.026 0.000 1.046 83 N CA 0.575 53.634 53.050 0.015 0.000 0.904 83 N CB -0.138 38.367 38.487 0.030 0.000 0.964 83 N HN 0.558 nan 8.380 nan 0.000 0.444 84 Q N -0.523 119.305 119.800 0.046 0.000 2.360 84 Q HA 0.196 4.549 4.340 0.021 0.000 0.202 84 Q C 0.713 176.730 176.000 0.029 0.000 0.915 84 Q CA 0.190 56.015 55.803 0.036 0.000 0.943 84 Q CB 0.575 29.338 28.738 0.042 0.000 1.064 84 Q HN 0.379 nan 8.270 nan 0.000 0.511 85 G N 0.557 109.373 108.800 0.027 0.000 2.141 85 G HA2 -0.236 3.736 3.960 0.021 0.000 0.242 85 G HA3 -0.236 3.736 3.960 0.021 0.000 0.242 85 G C 0.129 175.051 174.900 0.037 0.000 0.982 85 G CA 0.092 45.203 45.100 0.019 0.000 0.662 85 G HN 0.226 nan 8.290 nan 0.000 0.527 86 V N 1.757 121.709 119.914 0.064 0.000 2.461 86 V HA 0.361 4.493 4.120 0.021 0.000 0.275 86 V C 1.316 177.450 176.094 0.066 0.000 1.047 86 V CA -0.550 61.801 62.300 0.084 0.000 0.955 86 V CB 1.058 32.975 31.823 0.156 0.000 0.988 86 V HN 0.409 nan 8.190 nan 0.000 0.471 87 R N 4.388 124.920 120.500 0.053 0.000 2.570 87 R HA 0.321 4.674 4.340 0.021 0.000 0.277 87 R C -0.514 175.803 176.300 0.028 0.000 1.039 87 R CA 0.015 56.137 56.100 0.038 0.000 1.065 87 R CB 0.413 30.734 30.300 0.036 0.000 0.964 87 R HN 0.577 nan 8.270 nan 0.000 0.428 88 I N 2.201 122.776 120.570 0.009 0.000 2.331 88 I HA 0.131 4.313 4.170 0.021 0.000 0.292 88 I C 0.966 177.074 176.117 -0.014 0.000 0.998 88 I CA -0.011 61.279 61.300 -0.017 0.000 1.267 88 I CB 1.861 39.840 38.000 -0.035 0.000 1.386 88 I HN 0.772 nan 8.210 nan 0.000 0.476 89 A N 4.130 126.937 122.820 -0.021 0.000 1.887 89 A HA 0.005 4.338 4.320 0.021 0.000 0.212 89 A C 0.675 178.245 177.584 -0.024 0.000 1.198 89 A CA 0.960 52.988 52.037 -0.016 0.000 0.628 89 A CB 0.040 19.033 19.000 -0.012 0.000 0.847 89 A HN 0.686 nan 8.150 nan 0.000 0.449 90 D N -0.648 119.729 120.400 -0.038 0.000 2.469 90 D HA 0.348 5.000 4.640 0.021 0.000 0.251 90 D C -1.384 174.884 176.300 -0.053 0.000 1.173 90 D CA -0.383 53.592 54.000 -0.040 0.000 0.882 90 D CB 1.252 42.028 40.800 -0.039 0.000 1.129 90 D HN 0.066 nan 8.370 nan 0.000 0.549 91 D N 2.149 122.522 120.400 -0.046 0.000 2.427 91 D HA 0.070 4.722 4.640 0.021 0.000 0.224 91 D C 0.551 176.820 176.300 -0.052 0.000 1.157 91 D CA 0.193 54.161 54.000 -0.053 0.000 0.828 91 D CB 0.494 41.267 40.800 -0.044 0.000 0.974 91 D HN 0.214 nan 8.370 nan 0.000 0.498 92 Q N -0.644 119.126 119.800 -0.049 0.000 2.280 92 Q HA 0.268 4.620 4.340 0.021 0.000 0.228 92 Q C -0.143 175.828 176.000 -0.050 0.000 0.857 92 Q CA 0.213 55.987 55.803 -0.047 0.000 0.939 92 Q CB 0.766 29.481 28.738 -0.038 0.000 1.114 92 Q HN 0.208 nan 8.270 nan 0.000 0.514 93 N N 0.054 118.722 118.700 -0.053 0.000 2.284 93 N HA 0.322 5.074 4.740 0.021 0.000 0.289 93 N C -0.989 174.485 175.510 -0.059 0.000 1.179 93 N CA -0.284 52.735 53.050 -0.051 0.000 0.774 93 N CB 2.090 40.552 38.487 -0.042 0.000 1.548 93 N HN -0.189 nan 8.380 nan 0.000 0.473 94 S N 0.761 116.429 115.700 -0.053 0.000 2.601 94 S HA 0.291 4.774 4.470 0.021 0.000 0.271 94 S C 0.118 174.690 174.600 -0.047 0.000 1.305 94 S CA -0.587 57.581 58.200 -0.054 0.000 1.022 94 S CB 0.769 63.944 63.200 -0.043 0.000 0.940 94 S HN 0.386 nan 8.310 nan 0.000 0.525 95 L N 4.040 125.233 121.223 -0.050 0.000 2.360 95 L HA 0.403 4.756 4.340 0.021 0.000 0.276 95 L C 0.106 176.964 176.870 -0.020 0.000 1.121 95 L CA 0.477 55.296 54.840 -0.036 0.000 0.845 95 L CB -0.086 41.951 42.059 -0.037 0.000 1.143 95 L HN 0.725 nan 8.230 nan 0.000 0.452 96 R N 4.151 124.642 120.500 -0.015 0.000 2.836 96 R HA 0.860 5.212 4.340 0.021 0.000 0.269 96 R C -1.137 175.160 176.300 -0.004 0.000 1.010 96 R CA -0.841 55.254 56.100 -0.009 0.000 0.930 96 R CB 1.104 31.397 30.300 -0.012 0.000 1.218 96 R HN 0.586 nan 8.270 nan 0.000 0.473 97 A N 1.149 123.968 122.820 -0.001 0.000 2.650 97 A HA 0.598 4.931 4.320 0.021 0.000 0.320 97 A C 0.504 178.087 177.584 -0.002 0.000 1.466 97 A CA 0.266 52.303 52.037 0.000 0.000 1.099 97 A CB -0.861 18.140 19.000 0.003 0.000 1.136 97 A HN 1.196 nan 8.150 nan 0.000 0.532 98 G N 0.923 109.721 108.800 -0.003 0.000 2.675 98 G HA2 0.081 4.053 3.960 0.021 0.000 0.686 98 G HA3 0.081 4.053 3.960 0.021 0.000 0.686 98 G C 0.663 175.559 174.900 -0.007 0.000 1.215 98 G CA 0.147 45.245 45.100 -0.004 0.000 0.777 98 G HN 1.793 nan 8.290 nan 0.000 0.638 99 S N -0.269 115.426 115.700 -0.008 0.000 2.507 99 S HA -0.013 4.470 4.470 0.021 0.000 0.235 99 S C 1.541 176.135 174.600 -0.011 0.000 0.988 99 S CA 1.433 59.627 58.200 -0.010 0.000 0.944 99 S CB -0.013 63.181 63.200 -0.010 0.000 0.762 99 S HN 0.781 nan 8.310 nan 0.000 0.526 100 R N 0.772 121.266 120.500 -0.009 0.000 2.577 100 R HA 0.347 4.700 4.340 0.021 0.000 0.344 100 R C 0.945 177.241 176.300 -0.007 0.000 1.037 100 R CA 0.097 56.192 56.100 -0.009 0.000 1.102 100 R CB 0.717 31.013 30.300 -0.007 0.000 1.313 100 R HN 0.413 nan 8.270 nan 0.000 0.561 101 G N 2.028 110.824 108.800 -0.007 0.000 2.532 101 G HA2 0.370 4.342 3.960 0.021 0.000 0.291 101 G HA3 0.370 4.342 3.960 0.021 0.000 0.291 101 G C -2.379 172.518 174.900 -0.005 0.000 1.349 101 G CA -1.093 44.004 45.100 -0.005 0.000 1.038 101 G HN -0.104 nan 8.290 nan 0.000 0.518 102 P HA 0.239 nan 4.420 nan 0.000 0.278 102 P C -0.246 177.052 177.300 -0.003 0.000 1.238 102 P CA -0.123 62.976 63.100 -0.002 0.000 0.794 102 P CB 0.948 32.648 31.700 0.001 0.000 0.955 103 T N 2.998 117.550 114.554 -0.004 0.000 2.901 103 T HA 0.235 4.597 4.350 0.021 0.000 0.301 103 T C 0.527 175.228 174.700 0.003 0.000 1.012 103 T CA -0.028 62.069 62.100 -0.005 0.000 1.135 103 T CB -0.085 68.778 68.868 -0.008 0.000 0.936 103 T HN 0.183 nan 8.240 nan 0.000 0.539 104 L N 3.579 124.805 121.223 0.004 0.000 2.357 104 L HA 0.322 4.675 4.340 0.021 0.000 0.273 104 L C 1.417 178.302 176.870 0.024 0.000 1.080 104 L CA -0.817 54.032 54.840 0.015 0.000 0.803 104 L CB 0.762 42.831 42.059 0.017 0.000 1.174 104 L HN 0.494 nan 8.230 nan 0.000 0.443 105 L N 2.055 123.296 121.223 0.031 0.000 2.265 105 L HA -0.177 4.175 4.340 0.021 0.000 0.215 105 L C 2.318 179.228 176.870 0.065 0.000 1.117 105 L CA 1.594 56.459 54.840 0.042 0.000 0.782 105 L CB -0.617 41.465 42.059 0.039 0.000 0.914 105 L HN 0.799 nan 8.230 nan 0.000 0.441 106 E N -1.610 118.633 120.200 0.072 0.000 2.478 106 E HA -0.169 4.193 4.350 0.021 0.000 0.198 106 E C 0.239 176.938 176.600 0.165 0.000 1.046 106 E CA 0.228 56.700 56.400 0.119 0.000 0.870 106 E CB -0.458 29.305 29.700 0.105 0.000 0.818 106 E HN 0.362 nan 8.360 nan 0.000 0.527 107 D N 1.226 121.671 120.400 0.075 0.000 2.398 107 D HA -0.052 4.600 4.640 0.021 0.000 0.250 107 D C 0.381 176.679 176.300 -0.003 0.000 1.287 107 D CA -0.429 53.560 54.000 -0.018 0.000 0.992 107 D CB -0.087 40.678 40.800 -0.059 0.000 1.071 107 D HN 0.291 nan 8.370 nan 0.000 0.514 108 F N 2.155 122.114 119.950 0.014 0.000 2.558 108 F HA 0.138 4.674 4.527 0.014 0.000 0.298 108 F C 1.546 177.358 175.800 0.020 0.000 1.119 108 F CA -0.019 57.992 58.000 0.019 0.000 1.451 108 F CB -0.599 38.411 39.000 0.018 0.000 1.091 108 F HN 0.193 nan 8.300 nan 0.000 0.563 109 I N 0.308 120.477 120.570 -0.669 0.000 2.277 109 I HA -0.158 4.024 4.170 0.021 0.000 0.243 109 I C 2.440 178.453 176.117 -0.173 0.000 1.094 109 I CA 0.831 61.871 61.300 -0.433 0.000 1.393 109 I CB -0.476 37.218 38.000 -0.510 0.000 1.078 109 I HN 0.262 nan 8.210 nan 0.000 0.417 110 L N 1.147 122.275 121.223 -0.158 0.000 1.989 110 L HA -0.198 4.155 4.340 0.021 0.000 0.211 110 L C 2.649 179.510 176.870 -0.016 0.000 1.071 110 L CA 1.883 56.678 54.840 -0.075 0.000 0.749 110 L CB -0.556 41.464 42.059 -0.065 0.000 0.890 110 L HN 0.044 nan 8.230 nan 0.000 0.431 111 R N -0.572 119.937 120.500 0.015 0.000 2.105 111 R HA -0.196 4.156 4.340 0.021 0.000 0.239 111 R C 2.344 178.699 176.300 0.093 0.000 1.135 111 R CA 1.680 57.818 56.100 0.064 0.000 0.967 111 R CB -0.408 29.944 30.300 0.087 0.000 0.861 111 R HN 0.605 nan 8.270 nan 0.000 0.442 112 E N 1.071 121.332 120.200 0.101 0.000 2.047 112 E HA -0.232 4.131 4.350 0.021 0.000 0.191 112 E C 1.956 178.632 176.600 0.127 0.000 0.987 112 E CA 1.198 57.675 56.400 0.128 0.000 0.799 112 E CB 0.099 29.881 29.700 0.137 0.000 0.752 112 E HN 0.162 nan 8.360 nan 0.000 0.449 113 K N 0.348 120.794 120.400 0.076 0.000 2.057 113 K HA -0.135 4.197 4.320 0.021 0.000 0.207 113 K C 2.085 178.755 176.600 0.117 0.000 1.049 113 K CA 1.281 57.611 56.287 0.072 0.000 0.931 113 K CB -0.024 32.478 32.500 0.004 0.000 0.714 113 K HN 0.133 nan 8.250 nan 0.000 0.440 114 I N 1.425 122.048 120.570 0.089 0.000 2.315 114 I HA -0.172 4.011 4.170 0.021 0.000 0.248 114 I C 2.103 178.327 176.117 0.179 0.000 1.117 114 I CA 1.280 62.653 61.300 0.123 0.000 1.404 114 I CB -1.465 36.572 38.000 0.063 0.000 1.071 114 I HN 0.230 nan 8.210 nan 0.000 0.419 115 T N -0.252 114.400 114.554 0.163 0.000 2.708 115 T HA -0.218 4.145 4.350 0.021 0.000 0.266 115 T C 1.965 176.795 174.700 0.217 0.000 1.037 115 T CA 1.410 63.625 62.100 0.193 0.000 1.146 115 T CB -0.417 68.573 68.868 0.202 0.000 0.865 115 T HN 0.345 nan 8.240 nan 0.000 0.435 116 H N -0.169 118.991 119.070 0.150 0.000 2.353 116 H HA -0.059 4.509 4.556 0.021 0.000 0.300 116 H C 2.190 177.575 175.328 0.095 0.000 1.090 116 H CA 1.529 57.651 56.048 0.123 0.000 1.327 116 H CB -0.394 29.423 29.762 0.091 0.000 1.383 116 H HN 0.391 nan 8.280 nan 0.000 0.508 117 F N 2.013 122.019 119.950 0.095 0.000 2.134 117 F HA -0.185 4.352 4.527 0.017 0.000 0.299 117 F C 1.941 177.686 175.800 -0.091 0.000 1.097 117 F CA 1.647 59.652 58.000 0.008 0.000 1.264 117 F CB -0.304 38.696 39.000 0.000 0.000 1.001 117 F HN 0.050 nan 8.300 nan 0.000 0.479 118 D N -1.207 119.115 120.400 -0.130 0.000 2.309 118 D HA -0.130 4.523 4.640 0.021 0.000 0.212 118 D C 1.036 176.926 176.300 -0.683 0.000 0.968 118 D CA 1.181 54.939 54.000 -0.404 0.000 0.882 118 D CB -0.319 40.264 40.800 -0.361 0.000 0.918 118 D HN 0.478 nan 8.370 nan 0.000 0.503 119 H N -0.512 118.443 119.070 -0.192 0.000 2.492 119 H HA 0.229 4.795 4.556 0.015 0.000 0.264 119 H C 0.882 176.054 175.328 -0.259 0.000 1.150 119 H CA -0.122 55.812 56.048 -0.191 0.000 0.962 119 H CB 0.510 30.179 29.762 -0.155 0.000 1.766 119 H HN 0.236 nan 8.280 nan 0.000 0.589 120 E N 0.652 120.693 120.200 -0.265 0.000 2.106 120 E HA -0.035 4.327 4.350 0.021 0.000 0.192 120 E C 0.542 176.990 176.600 -0.253 0.000 0.984 120 E CA 0.545 56.762 56.400 -0.305 0.000 0.806 120 E CB 0.469 29.966 29.700 -0.338 0.000 0.750 120 E HN 0.170 nan 8.360 nan 0.000 0.458 121 R N 1.313 121.719 120.500 -0.157 0.000 2.441 121 R HA 0.323 4.676 4.340 0.021 0.000 0.284 121 R C 0.451 176.789 176.300 0.064 0.000 1.070 121 R CA -0.150 55.932 56.100 -0.031 0.000 1.047 121 R CB 0.595 30.867 30.300 -0.047 0.000 1.016 121 R HN 0.179 nan 8.270 nan 0.000 0.477 122 I N -1.080 119.591 120.570 0.168 0.000 2.846 122 I HA 0.553 4.736 4.170 0.021 0.000 0.307 122 I C -2.276 173.908 176.117 0.111 0.000 1.053 122 I CA -3.044 58.348 61.300 0.153 0.000 1.050 122 I CB 1.847 39.969 38.000 0.205 0.000 1.239 122 I HN 0.239 nan 8.210 nan 0.000 0.439 123 P HA 0.058 nan 4.420 nan 0.000 0.262 123 P C -0.825 176.507 177.300 0.053 0.000 1.182 123 P CA 0.064 63.194 63.100 0.051 0.000 0.761 123 P CB 0.369 32.088 31.700 0.033 0.000 0.795 124 E N 3.001 123.235 120.200 0.056 0.000 2.369 124 E HA 0.214 4.576 4.350 0.021 0.000 0.255 124 E C -0.398 176.229 176.600 0.046 0.000 1.172 124 E CA -0.906 55.532 56.400 0.063 0.000 0.932 124 E CB 0.635 30.379 29.700 0.074 0.000 1.040 124 E HN 0.275 nan 8.360 nan 0.000 0.454 125 R N 0.590 121.122 120.500 0.053 0.000 2.698 125 R HA -0.004 4.349 4.340 0.021 0.000 0.266 125 R C 1.295 177.630 176.300 0.058 0.000 1.026 125 R CA -0.465 55.664 56.100 0.047 0.000 1.102 125 R CB 0.238 30.586 30.300 0.079 0.000 0.978 125 R HN 0.567 nan 8.270 nan 0.000 0.436 126 I N 1.630 122.230 120.570 0.049 0.000 2.208 126 I HA -0.139 4.044 4.170 0.021 0.000 0.245 126 I C 1.242 177.414 176.117 0.091 0.000 1.097 126 I CA 1.519 62.858 61.300 0.064 0.000 1.363 126 I CB -1.075 36.968 38.000 0.071 0.000 1.051 126 I HN 0.391 nan 8.210 nan 0.000 0.413 127 V N -3.130 116.873 119.914 0.149 0.000 3.040 127 V HA 0.519 4.652 4.120 0.021 0.000 0.312 127 V C 0.425 176.675 176.094 0.261 0.000 1.115 127 V CA -0.836 61.571 62.300 0.177 0.000 0.998 127 V CB 1.792 33.783 31.823 0.281 0.000 1.042 127 V HN 0.427 nan 8.190 nan 0.000 0.433 128 H N 0.175 119.314 119.070 0.116 0.000 2.936 128 H HA -0.224 4.344 4.556 0.021 0.000 0.276 128 H C 1.589 176.969 175.328 0.086 0.000 1.216 128 H CA 0.817 56.926 56.048 0.102 0.000 1.132 128 H CB -1.322 28.491 29.762 0.085 0.000 1.303 128 H HN 1.165 nan 8.280 nan 0.000 0.370 129 A N 0.822 123.733 122.820 0.152 0.000 1.940 129 A HA -0.144 4.189 4.320 0.021 0.000 0.219 129 A C 1.738 179.415 177.584 0.155 0.000 1.176 129 A CA 1.515 53.631 52.037 0.131 0.000 0.631 129 A CB -0.150 18.906 19.000 0.094 0.000 0.814 129 A HN 0.268 nan 8.150 nan 0.000 0.446 130 R N 0.261 120.853 120.500 0.155 0.000 2.210 130 R HA 0.496 4.848 4.340 0.021 0.000 0.338 130 R C -0.152 176.279 176.300 0.218 0.000 1.062 130 R CA 0.736 56.948 56.100 0.186 0.000 0.902 130 R CB 0.151 30.546 30.300 0.158 0.000 1.050 130 R HN 0.340 nan 8.270 nan 0.000 0.461 131 G N 1.031 109.984 108.800 0.255 0.000 2.720 131 G HA2 0.481 4.454 3.960 0.021 0.000 0.295 131 G HA3 0.481 4.454 3.960 0.021 0.000 0.295 131 G C -1.575 173.484 174.900 0.265 0.000 1.437 131 G CA -0.587 44.628 45.100 0.192 0.000 0.886 131 G HN 0.485 nan 8.290 nan 0.000 0.509 132 S N -0.734 115.069 115.700 0.172 0.000 2.502 132 S HA 0.868 5.350 4.470 0.021 0.000 0.304 132 S C -0.054 174.548 174.600 0.005 0.000 1.097 132 S CA -0.270 58.085 58.200 0.259 0.000 1.045 132 S CB 1.680 65.148 63.200 0.448 0.000 1.019 132 S HN 1.424 nan 8.310 nan 0.000 0.481 133 A N 1.848 124.637 122.820 -0.053 0.000 2.469 133 A HA 1.015 5.348 4.320 0.021 0.000 0.299 133 A C -0.803 176.584 177.584 -0.329 0.000 1.098 133 A CA -0.776 51.028 52.037 -0.389 0.000 0.737 133 A CB 1.600 20.225 19.000 -0.625 0.000 1.312 133 A HN 1.210 nan 8.150 nan 0.000 0.414 134 A N 0.667 123.115 122.820 -0.620 0.000 2.606 134 A HA 0.742 5.074 4.320 0.021 0.000 0.293 134 A C -1.032 176.301 177.584 -0.419 0.000 1.082 134 A CA -0.643 51.180 52.037 -0.358 0.000 0.685 134 A CB 0.817 19.719 19.000 -0.163 0.000 1.284 134 A HN 0.883 nan 8.150 nan 0.000 0.408 135 H N -0.377 118.678 119.070 -0.026 0.000 2.488 135 H HA 0.698 5.266 4.556 0.021 0.000 0.347 135 H C 0.582 175.896 175.328 -0.023 0.000 1.174 135 H CA 0.785 56.887 56.048 0.090 0.000 1.307 135 H CB 1.874 31.705 29.762 0.116 0.000 1.517 135 H HN 1.144 nan 8.280 nan 0.000 0.554 136 G N 0.469 109.363 108.800 0.157 0.000 2.494 136 G HA2 0.350 4.322 3.960 0.021 0.000 0.308 136 G HA3 0.350 4.322 3.960 0.021 0.000 0.308 136 G C -2.093 172.943 174.900 0.227 0.000 1.263 136 G CA -0.672 44.488 45.100 0.101 0.000 0.840 136 G HN 0.631 nan 8.290 nan 0.000 0.479 137 Y N -1.676 118.656 120.300 0.053 0.000 2.597 137 Y HA 0.843 5.405 4.550 0.021 0.000 0.340 137 Y C -1.834 174.201 175.900 0.224 0.000 1.097 137 Y CA -1.904 56.273 58.100 0.129 0.000 1.037 137 Y CB 1.970 40.479 38.460 0.082 0.000 1.305 137 Y HN 0.805 nan 8.280 nan 0.000 0.463 138 F N 2.408 122.484 119.950 0.211 0.000 2.563 138 F HA 0.702 5.242 4.527 0.021 0.000 0.316 138 F C -1.253 174.726 175.800 0.299 0.000 1.076 138 F CA -0.632 57.503 58.000 0.225 0.000 0.921 138 F CB 2.413 41.685 39.000 0.453 0.000 1.209 138 F HN 0.798 nan 8.300 nan 0.000 0.462 139 Q N 6.859 126.089 119.800 -0.951 0.000 2.281 139 Q HA 0.434 4.786 4.340 0.021 0.000 0.263 139 Q C -3.030 172.368 176.000 -1.002 0.000 0.989 139 Q CA -2.192 53.235 55.803 -0.627 0.000 0.852 139 Q CB 2.907 31.559 28.738 -0.142 0.000 1.337 139 Q HN 0.347 nan 8.270 nan 0.000 0.418 140 P HA 0.025 nan 4.420 nan 0.000 0.274 140 P C -0.425 176.723 177.300 -0.254 0.000 1.231 140 P CA 0.157 63.002 63.100 -0.426 0.000 0.790 140 P CB 0.569 32.184 31.700 -0.141 0.000 0.951 141 Y N 1.083 121.313 120.300 -0.116 0.000 2.263 141 Y HA -0.075 4.488 4.550 0.021 0.000 0.292 141 Y C 1.518 177.385 175.900 -0.056 0.000 1.130 141 Y CA 0.614 58.670 58.100 -0.073 0.000 1.179 141 Y CB 0.164 38.591 38.460 -0.056 0.000 0.998 141 Y HN 0.364 nan 8.280 nan 0.000 0.532 142 K N -0.990 119.462 120.400 0.088 0.000 2.533 142 K HA 0.422 4.755 4.320 0.021 0.000 0.272 142 K C -0.841 175.753 176.600 -0.009 0.000 0.985 142 K CA -0.949 55.360 56.287 0.036 0.000 0.876 142 K CB 1.672 34.194 32.500 0.037 0.000 1.452 142 K HN -0.245 nan 8.250 nan 0.000 0.439 143 S N 0.901 116.594 115.700 -0.011 0.000 2.549 143 S HA 0.114 4.597 4.470 0.021 0.000 0.286 143 S C 0.447 175.024 174.600 -0.038 0.000 1.314 143 S CA -0.527 57.657 58.200 -0.027 0.000 1.062 143 S CB -0.149 63.041 63.200 -0.017 0.000 0.865 143 S HN 0.564 nan 8.310 nan 0.000 0.498 144 L N 4.588 125.774 121.223 -0.061 0.000 2.872 144 L HA 0.164 4.516 4.340 0.021 0.000 0.245 144 L C 1.873 178.716 176.870 -0.044 0.000 1.211 144 L CA -0.172 54.637 54.840 -0.052 0.000 1.013 144 L CB -0.195 41.824 42.059 -0.066 0.000 1.326 144 L HN 0.617 nan 8.230 nan 0.000 0.525 145 S N 0.380 116.054 115.700 -0.042 0.000 2.387 145 S HA -0.206 4.276 4.470 0.021 0.000 0.230 145 S C 1.357 175.938 174.600 -0.032 0.000 1.035 145 S CA 1.624 59.801 58.200 -0.038 0.000 1.014 145 S CB -0.083 63.100 63.200 -0.028 0.000 0.836 145 S HN 0.496 nan 8.310 nan 0.000 0.466 146 D N 1.249 121.635 120.400 -0.024 0.000 2.149 146 D HA -0.077 4.575 4.640 0.021 0.000 0.198 146 D C 1.750 178.033 176.300 -0.028 0.000 0.990 146 D CA 1.128 55.114 54.000 -0.022 0.000 0.839 146 D CB -0.177 40.615 40.800 -0.014 0.000 0.948 146 D HN 0.656 nan 8.370 nan 0.000 0.460 147 I N -4.321 116.234 120.570 -0.025 0.000 4.035 147 I HA 0.221 4.403 4.170 0.021 0.000 0.321 147 I C 0.406 176.491 176.117 -0.053 0.000 1.289 147 I CA 0.081 61.361 61.300 -0.034 0.000 1.236 147 I CB 1.001 39.000 38.000 -0.002 0.000 1.076 147 I HN -0.228 nan 8.210 nan 0.000 0.418 148 T N 1.635 116.157 114.554 -0.053 0.000 2.982 148 T HA 0.318 4.680 4.350 0.021 0.000 0.321 148 T C -0.104 174.547 174.700 -0.082 0.000 1.229 148 T CA -0.711 61.342 62.100 -0.080 0.000 1.044 148 T CB 1.800 70.617 68.868 -0.085 0.000 1.184 148 T HN 0.438 nan 8.240 nan 0.000 0.477 149 K N 2.396 122.747 120.400 -0.082 0.000 2.410 149 K HA 0.599 4.932 4.320 0.021 0.000 0.200 149 K C 0.674 177.238 176.600 -0.060 0.000 1.023 149 K CA -0.395 55.855 56.287 -0.063 0.000 1.149 149 K CB 0.354 32.823 32.500 -0.051 0.000 0.859 149 K HN 0.491 nan 8.250 nan 0.000 0.514 150 A N 2.053 124.814 122.820 -0.099 0.000 2.545 150 A HA -0.051 4.281 4.320 0.021 0.000 0.253 150 A C 0.563 178.105 177.584 -0.071 0.000 1.074 150 A CA 0.076 52.061 52.037 -0.086 0.000 0.760 150 A CB 0.066 18.942 19.000 -0.207 0.000 1.005 150 A HN 0.451 nan 8.150 nan 0.000 0.506 151 D N 2.209 122.643 120.400 0.057 0.000 2.149 151 D HA -0.242 4.410 4.640 0.021 0.000 0.198 151 D C 1.384 177.755 176.300 0.118 0.000 0.990 151 D CA 2.361 56.410 54.000 0.082 0.000 0.839 151 D CB -0.251 40.622 40.800 0.121 0.000 0.948 151 D HN 0.743 nan 8.370 nan 0.000 0.460 152 F N -0.639 119.333 119.950 0.036 0.000 2.451 152 F HA 0.111 4.651 4.527 0.022 0.000 0.299 152 F C 1.158 177.042 175.800 0.141 0.000 1.101 152 F CA 0.482 58.545 58.000 0.104 0.000 1.436 152 F CB -0.288 38.775 39.000 0.105 0.000 1.074 152 F HN -0.057 nan 8.300 nan 0.000 0.553 153 L N 0.826 121.734 121.223 -0.524 0.000 2.769 153 L HA 0.201 4.554 4.340 0.021 0.000 0.240 153 L C 1.911 178.678 176.870 -0.171 0.000 1.163 153 L CA 0.376 54.986 54.840 -0.384 0.000 0.962 153 L CB -0.147 41.562 42.059 -0.583 0.000 1.258 153 L HN 0.331 nan 8.230 nan 0.000 0.513 154 S N -2.392 113.252 115.700 -0.093 0.000 2.524 154 S HA 0.046 4.529 4.470 0.021 0.000 0.216 154 S C 0.373 174.962 174.600 -0.018 0.000 0.987 154 S CA -0.089 58.082 58.200 -0.048 0.000 0.909 154 S CB 0.171 63.358 63.200 -0.022 0.000 0.781 154 S HN 0.352 nan 8.310 nan 0.000 0.521 155 D N 0.505 120.904 120.400 -0.003 0.000 2.931 155 D HA 0.339 4.992 4.640 0.021 0.000 0.215 155 D C -2.535 173.773 176.300 0.013 0.000 1.297 155 D CA -1.840 52.166 54.000 0.010 0.000 0.892 155 D CB 2.126 42.941 40.800 0.025 0.000 1.642 155 D HN -0.192 nan 8.370 nan 0.000 0.560 156 P HA -0.080 nan 4.420 nan 0.000 0.219 156 P C 0.483 177.795 177.300 0.020 0.000 1.146 156 P CA 0.801 63.906 63.100 0.009 0.000 0.808 156 P CB 0.408 32.125 31.700 0.029 0.000 0.779 157 N N -0.579 118.139 118.700 0.029 0.000 2.336 157 N HA 0.001 4.754 4.740 0.021 0.000 0.189 157 N C 0.613 176.153 175.510 0.049 0.000 1.113 157 N CA 0.269 53.340 53.050 0.035 0.000 0.858 157 N CB 0.046 38.551 38.487 0.029 0.000 0.970 157 N HN 0.262 nan 8.380 nan 0.000 0.471 158 K N 1.748 122.186 120.400 0.063 0.000 2.284 158 K HA 0.195 4.527 4.320 0.021 0.000 0.287 158 K C -0.552 176.134 176.600 0.144 0.000 1.081 158 K CA -0.288 56.060 56.287 0.101 0.000 0.910 158 K CB 0.455 33.025 32.500 0.117 0.000 1.088 158 K HN -0.135 nan 8.250 nan 0.000 0.478 159 I N 3.978 124.638 120.570 0.149 0.000 2.331 159 I HA 0.138 4.321 4.170 0.021 0.000 0.292 159 I C 0.079 176.358 176.117 0.271 0.000 0.998 159 I CA -0.328 61.093 61.300 0.201 0.000 1.267 159 I CB 1.435 39.507 38.000 0.119 0.000 1.386 159 I HN 0.533 nan 8.210 nan 0.000 0.476 160 T N 8.055 122.853 114.554 0.408 0.000 2.772 160 T HA 0.363 4.725 4.350 0.021 0.000 0.288 160 T C -2.460 172.494 174.700 0.423 0.000 0.994 160 T CA -1.387 60.977 62.100 0.440 0.000 0.951 160 T CB 1.583 70.814 68.868 0.604 0.000 0.933 160 T HN 0.283 nan 8.240 nan 0.000 0.447 161 P HA 0.252 nan 4.420 nan 0.000 0.268 161 P C -0.557 176.984 177.300 0.402 0.000 1.205 161 P CA -0.380 62.906 63.100 0.310 0.000 0.771 161 P CB 0.512 32.312 31.700 0.167 0.000 0.858 162 V N 0.122 120.219 119.914 0.304 0.000 3.102 162 V HA 0.744 4.876 4.120 0.021 0.000 0.312 162 V C -1.355 174.894 176.094 0.259 0.000 1.135 162 V CA -0.997 61.390 62.300 0.145 0.000 1.022 162 V CB 2.347 34.027 31.823 -0.239 0.000 1.056 162 V HN 0.335 nan 8.190 nan 0.000 0.436 163 F N 2.048 121.975 119.950 -0.038 0.000 2.659 163 F HA 0.791 5.331 4.527 0.021 0.000 0.342 163 F C -0.903 174.801 175.800 -0.161 0.000 1.168 163 F CA -0.583 57.346 58.000 -0.118 0.000 1.003 163 F CB 1.671 40.637 39.000 -0.057 0.000 1.267 163 F HN 0.520 nan 8.300 nan 0.000 0.463 164 V N 6.411 125.860 119.914 -0.775 0.000 2.483 164 V HA 0.572 4.704 4.120 0.021 0.000 0.295 164 V C -0.461 174.961 176.094 -1.120 0.000 1.035 164 V CA -0.770 60.995 62.300 -0.892 0.000 0.896 164 V CB 1.854 33.088 31.823 -0.981 0.000 0.986 164 V HN 0.706 nan 8.190 nan 0.000 0.447 165 R N 3.487 123.328 120.500 -1.098 0.000 2.476 165 R HA 0.591 4.944 4.340 0.021 0.000 0.305 165 R C -1.617 174.069 176.300 -1.023 0.000 0.965 165 R CA -0.433 55.126 56.100 -0.902 0.000 0.867 165 R CB 1.124 31.104 30.300 -0.533 0.000 1.176 165 R HN 0.545 nan 8.270 nan 0.000 0.447 166 F N 1.986 121.525 119.950 -0.685 0.000 2.432 166 F HA 0.540 5.080 4.527 0.021 0.000 0.329 166 F C 0.583 176.037 175.800 -0.576 0.000 1.076 166 F CA -0.191 57.281 58.000 -0.881 0.000 1.018 166 F CB 2.111 40.066 39.000 -1.742 0.000 1.201 166 F HN 0.633 nan 8.300 nan 0.000 0.489 167 S N -0.949 114.686 115.700 -0.108 0.000 2.656 167 S HA 0.717 5.200 4.470 0.021 0.000 0.273 167 S C -0.618 174.138 174.600 0.260 0.000 1.168 167 S CA -0.799 57.479 58.200 0.130 0.000 0.817 167 S CB 1.482 64.812 63.200 0.217 0.000 1.146 167 S HN 0.708 nan 8.310 nan 0.000 0.475 168 T N -1.738 112.962 114.554 0.242 0.000 2.892 168 T HA 0.723 5.086 4.350 0.021 0.000 0.280 168 T C 0.756 175.456 174.700 0.000 0.000 1.004 168 T CA -0.232 61.976 62.100 0.180 0.000 0.950 168 T CB 0.567 69.540 68.868 0.174 0.000 1.309 168 T HN 0.590 nan 8.240 nan 0.000 0.592 169 V N -0.129 119.739 119.914 -0.078 0.000 2.840 169 V HA 0.113 4.245 4.120 0.021 0.000 0.234 169 V C 2.758 178.774 176.094 -0.129 0.000 1.159 169 V CA 0.339 62.464 62.300 -0.291 0.000 1.194 169 V CB -0.432 31.305 31.823 -0.143 0.000 0.971 169 V HN 0.865 nan 8.190 nan 0.000 0.494 170 Q N 1.184 120.943 119.800 -0.067 0.000 2.033 170 Q HA 0.046 4.399 4.340 0.021 0.000 0.196 170 Q C 1.349 177.324 176.000 -0.043 0.000 0.970 170 Q CA 1.384 57.143 55.803 -0.073 0.000 0.828 170 Q CB -0.443 28.234 28.738 -0.101 0.000 0.895 170 Q HN 0.588 nan 8.270 nan 0.000 0.440 171 G N 0.028 108.818 108.800 -0.015 0.000 2.630 171 G HA2 0.296 4.268 3.960 0.021 0.000 0.236 171 G HA3 0.296 4.268 3.960 0.021 0.000 0.236 171 G C 0.217 175.125 174.900 0.014 0.000 1.248 171 G CA 0.129 45.228 45.100 -0.003 0.000 0.844 171 G HN 0.358 nan 8.290 nan 0.000 0.588 172 G N -0.950 107.855 108.800 0.008 0.000 2.621 172 G HA2 0.493 4.465 3.960 0.021 0.000 0.271 172 G HA3 0.493 4.465 3.960 0.021 0.000 0.271 172 G C 1.357 176.289 174.900 0.053 0.000 1.236 172 G CA 0.442 45.557 45.100 0.025 0.000 0.958 172 G HN 1.107 nan 8.290 nan 0.000 0.512 173 A N -0.659 122.203 122.820 0.071 0.000 1.978 173 A HA 0.073 4.405 4.320 0.021 0.000 0.220 173 A C 2.250 179.877 177.584 0.072 0.000 1.170 173 A CA 2.119 54.218 52.037 0.103 0.000 0.636 173 A CB -0.509 18.566 19.000 0.126 0.000 0.810 173 A HN 1.154 nan 8.150 nan 0.000 0.448 174 G N -0.268 108.554 108.800 0.037 0.000 3.284 174 G HA2 0.331 4.304 3.960 0.021 0.000 0.236 174 G HA3 0.331 4.304 3.960 0.021 0.000 0.236 174 G C 0.708 175.613 174.900 0.008 0.000 1.158 174 G CA 0.666 45.773 45.100 0.011 0.000 0.774 174 G HN 0.690 nan 8.290 nan 0.000 0.545 175 S N -0.173 115.540 115.700 0.023 0.000 2.641 175 S HA 0.720 5.203 4.470 0.021 0.000 0.261 175 S C 0.508 175.125 174.600 0.028 0.000 1.257 175 S CA -0.042 58.168 58.200 0.016 0.000 0.983 175 S CB 1.524 64.735 63.200 0.018 0.000 0.990 175 S HN 0.563 nan 8.310 nan 0.000 0.572 176 A N 0.145 122.978 122.820 0.021 0.000 2.286 176 A HA 0.449 4.782 4.320 0.021 0.000 0.286 176 A C 0.606 178.219 177.584 0.049 0.000 1.097 176 A CA -0.598 51.450 52.037 0.018 0.000 0.821 176 A CB -0.013 18.980 19.000 -0.011 0.000 1.076 176 A HN 0.870 nan 8.150 nan 0.000 0.490 177 D N 0.319 120.739 120.400 0.033 0.000 2.162 177 D HA -0.059 4.593 4.640 0.021 0.000 0.205 177 D C 1.630 177.935 176.300 0.009 0.000 0.964 177 D CA 2.203 56.240 54.000 0.062 0.000 0.847 177 D CB -0.270 40.525 40.800 -0.007 0.000 0.988 177 D HN 0.677 nan 8.370 nan 0.000 0.480 178 T N -0.046 114.431 114.554 -0.128 0.000 3.406 178 T HA 0.255 4.617 4.350 0.021 0.000 0.244 178 T C 0.884 175.596 174.700 0.020 0.000 0.949 178 T CA -0.528 61.508 62.100 -0.106 0.000 0.926 178 T CB -1.028 67.693 68.868 -0.244 0.000 1.089 178 T HN -0.080 nan 8.240 nan 0.000 0.604 179 V N -1.320 118.650 119.914 0.093 0.000 3.319 179 V HA 0.446 4.579 4.120 0.021 0.000 0.303 179 V C 0.688 176.929 176.094 0.246 0.000 1.094 179 V CA -1.456 60.941 62.300 0.162 0.000 1.106 179 V CB 0.469 32.373 31.823 0.135 0.000 1.099 179 V HN 0.529 nan 8.190 nan 0.000 0.476 180 R N 1.536 122.222 120.500 0.311 0.000 2.196 180 R HA 0.478 4.831 4.340 0.021 0.000 0.340 180 R C -1.036 175.348 176.300 0.140 0.000 1.043 180 R CA -0.096 56.147 56.100 0.237 0.000 0.883 180 R CB 0.113 30.489 30.300 0.126 0.000 1.078 180 R HN 1.054 nan 8.270 nan 0.000 0.462 181 D N 3.237 123.732 120.400 0.158 0.000 2.725 181 D HA 0.215 4.867 4.640 0.021 0.000 0.292 181 D C -0.678 175.738 176.300 0.193 0.000 1.288 181 D CA -0.612 53.472 54.000 0.139 0.000 0.784 181 D CB 1.242 42.114 40.800 0.120 0.000 1.308 181 D HN 0.215 nan 8.370 nan 0.000 0.429 182 I N 1.193 121.897 120.570 0.223 0.000 2.823 182 I HA 0.300 4.483 4.170 0.021 0.000 0.290 182 I C 0.791 177.056 176.117 0.246 0.000 1.091 182 I CA -0.161 61.281 61.300 0.237 0.000 1.365 182 I CB 0.159 38.328 38.000 0.281 0.000 1.427 182 I HN 0.248 nan 8.210 nan 0.000 0.583 183 R N 2.447 123.110 120.500 0.272 0.000 2.589 183 R HA 0.570 4.923 4.340 0.021 0.000 0.293 183 R C -0.065 176.434 176.300 0.332 0.000 0.963 183 R CA -0.746 55.535 56.100 0.302 0.000 0.905 183 R CB 1.463 31.957 30.300 0.324 0.000 1.144 183 R HN 0.809 nan 8.270 nan 0.000 0.459 184 G N 0.890 109.902 108.800 0.354 0.000 2.448 184 G HA2 0.475 4.448 3.960 0.021 0.000 0.285 184 G HA3 0.475 4.448 3.960 0.021 0.000 0.285 184 G C -1.243 173.749 174.900 0.152 0.000 1.176 184 G CA -0.046 45.233 45.100 0.298 0.000 0.852 184 G HN 0.364 nan 8.290 nan 0.000 0.530 185 F N 1.624 121.483 119.950 -0.152 0.000 3.090 185 F HA 0.619 5.158 4.527 0.021 0.000 0.381 185 F C -0.239 175.277 175.800 -0.474 0.000 1.231 185 F CA -1.797 56.027 58.000 -0.293 0.000 1.177 185 F CB 0.864 39.806 39.000 -0.097 0.000 1.598 185 F HN 0.670 nan 8.300 nan 0.000 0.589 186 A N 3.090 125.638 122.820 -0.452 0.000 2.304 186 A HA 0.785 5.117 4.320 0.021 0.000 0.323 186 A C -0.520 176.603 177.584 -0.767 0.000 1.195 186 A CA -0.432 51.163 52.037 -0.737 0.000 0.826 186 A CB 0.818 19.006 19.000 -1.352 0.000 1.184 186 A HN 0.508 nan 8.150 nan 0.000 0.496 187 T N 2.355 116.626 114.554 -0.471 0.000 2.809 187 T HA 0.378 4.740 4.350 0.021 0.000 0.284 187 T C -0.311 174.199 174.700 -0.316 0.000 0.992 187 T CA -0.436 61.397 62.100 -0.445 0.000 0.957 187 T CB 0.960 69.507 68.868 -0.536 0.000 0.942 187 T HN 0.619 nan 8.240 nan 0.000 0.439 188 K N 3.643 123.932 120.400 -0.185 0.000 2.292 188 K HA 0.408 4.741 4.320 0.021 0.000 0.270 188 K C -1.216 175.050 176.600 -0.557 0.000 1.062 188 K CA -0.588 55.500 56.287 -0.331 0.000 0.916 188 K CB 0.241 32.475 32.500 -0.444 0.000 1.166 188 K HN 0.397 nan 8.250 nan 0.000 0.458 189 F N 4.382 124.050 119.950 -0.470 0.000 2.390 189 F HA 0.210 4.749 4.527 0.021 0.000 0.361 189 F C -0.334 175.271 175.800 -0.325 0.000 1.124 189 F CA -0.562 57.224 58.000 -0.356 0.000 1.149 189 F CB 0.530 39.235 39.000 -0.491 0.000 1.160 189 F HN 0.442 nan 8.300 nan 0.000 0.501 190 Y N 1.937 122.288 120.300 0.085 0.000 2.632 190 Y HA 0.182 4.744 4.550 0.020 0.000 0.336 190 Y C 1.124 177.075 175.900 0.085 0.000 1.237 190 Y CA -0.765 57.368 58.100 0.055 0.000 1.595 190 Y CB -0.350 38.134 38.460 0.041 0.000 1.508 190 Y HN 0.540 nan 8.280 nan 0.000 0.480 191 T N -2.293 112.352 114.554 0.151 0.000 2.847 191 T HA 0.158 4.521 4.350 0.021 0.000 0.279 191 T C 1.081 175.870 174.700 0.148 0.000 0.984 191 T CA -0.668 61.526 62.100 0.157 0.000 0.988 191 T CB 1.044 69.984 68.868 0.119 0.000 1.040 191 T HN 0.639 nan 8.240 nan 0.000 0.528 192 E N 0.048 120.341 120.200 0.154 0.000 2.347 192 E HA -0.052 4.310 4.350 0.021 0.000 0.196 192 E C 1.051 177.716 176.600 0.109 0.000 1.008 192 E CA 0.819 57.293 56.400 0.124 0.000 0.852 192 E CB 0.119 29.891 29.700 0.120 0.000 0.783 192 E HN 0.737 nan 8.360 nan 0.000 0.505 193 E N -0.050 120.217 120.200 0.113 0.000 2.734 193 E HA 0.269 4.631 4.350 0.021 0.000 0.211 193 E C -0.006 176.643 176.600 0.082 0.000 0.991 193 E CA -0.246 56.213 56.400 0.099 0.000 1.065 193 E CB 1.389 31.151 29.700 0.104 0.000 1.047 193 E HN 0.176 nan 8.360 nan 0.000 0.470 194 G N 1.028 109.870 108.800 0.069 0.000 2.362 194 G HA2 -0.099 3.874 3.960 0.021 0.000 0.656 194 G HA3 -0.099 3.874 3.960 0.021 0.000 0.656 194 G C -0.975 173.932 174.900 0.012 0.000 1.376 194 G CA -1.139 43.978 45.100 0.028 0.000 0.971 194 G HN 0.011 nan 8.290 nan 0.000 0.636 195 I N 0.743 121.283 120.570 -0.049 0.000 2.556 195 I HA 0.343 4.525 4.170 0.021 0.000 0.284 195 I C 0.139 176.262 176.117 0.010 0.000 1.114 195 I CA 0.056 61.301 61.300 -0.092 0.000 1.418 195 I CB 0.660 38.535 38.000 -0.208 0.000 1.394 195 I HN 0.469 nan 8.210 nan 0.000 0.552 196 F N 6.930 126.775 119.950 -0.176 0.000 2.427 196 F HA 0.428 4.968 4.527 0.021 0.000 0.348 196 F C -0.506 175.251 175.800 -0.071 0.000 1.125 196 F CA -1.199 56.688 58.000 -0.188 0.000 0.989 196 F CB 0.667 39.399 39.000 -0.447 0.000 1.165 196 F HN 0.339 nan 8.300 nan 0.000 0.442 197 D N 6.692 126.872 120.400 -0.367 0.000 2.329 197 D HA 0.231 4.884 4.640 0.021 0.000 0.232 197 D C -0.938 174.877 176.300 -0.809 0.000 1.088 197 D CA -0.097 53.639 54.000 -0.440 0.000 0.835 197 D CB 1.993 42.739 40.800 -0.089 0.000 1.078 197 D HN 0.482 nan 8.370 nan 0.000 0.495 198 L N 4.259 124.983 121.223 -0.832 0.000 2.272 198 L HA 0.266 4.619 4.340 0.021 0.000 0.284 198 L C -1.019 175.631 176.870 -0.367 0.000 1.045 198 L CA -0.657 53.769 54.840 -0.691 0.000 0.842 198 L CB 1.053 42.745 42.059 -0.612 0.000 1.224 198 L HN 0.066 nan 8.230 nan 0.000 0.430 199 V N 6.311 126.046 119.914 -0.298 0.000 2.270 199 V HA 0.692 4.825 4.120 0.021 0.000 0.263 199 V C 0.855 176.856 176.094 -0.155 0.000 1.066 199 V CA 0.062 62.206 62.300 -0.260 0.000 0.857 199 V CB 0.035 31.674 31.823 -0.308 0.000 1.099 199 V HN 0.861 nan 8.190 nan 0.000 0.476 200 G N 2.636 111.360 108.800 -0.127 0.000 3.107 200 G HA2 0.936 4.909 3.960 0.021 0.000 0.232 200 G HA3 0.936 4.909 3.960 0.021 0.000 0.232 200 G C -0.634 174.295 174.900 0.048 0.000 1.339 200 G CA -0.089 44.990 45.100 -0.035 0.000 1.033 200 G HN 0.932 nan 8.290 nan 0.000 0.567 201 A N -1.197 121.702 122.820 0.131 0.000 2.567 201 A HA 0.606 4.939 4.320 0.021 0.000 0.289 201 A C 0.202 177.975 177.584 0.316 0.000 1.177 201 A CA -0.091 52.084 52.037 0.230 0.000 0.694 201 A CB 1.148 20.270 19.000 0.202 0.000 1.292 201 A HN 0.818 nan 8.150 nan 0.000 0.425 202 N N -0.118 118.780 118.700 0.331 0.000 2.314 202 N HA 0.066 4.818 4.740 0.021 0.000 0.200 202 N C -0.022 175.722 175.510 0.391 0.000 1.135 202 N CA 0.918 54.210 53.050 0.403 0.000 0.835 202 N CB 0.112 38.811 38.487 0.355 0.000 0.989 202 N HN 0.788 nan 8.380 nan 0.000 0.478 203 T N -3.411 111.197 114.554 0.090 0.000 2.900 203 T HA 0.442 4.805 4.350 0.021 0.000 0.295 203 T C -2.532 171.578 174.700 -0.984 0.000 1.044 203 T CA -1.690 60.044 62.100 -0.611 0.000 0.995 203 T CB 2.941 71.332 68.868 -0.794 0.000 1.072 203 T HN -0.258 nan 8.240 nan 0.000 0.473 204 P HA 0.154 nan 4.420 nan 0.000 0.242 204 P C 0.509 177.271 177.300 -0.896 0.000 1.197 204 P CA 0.206 62.350 63.100 -1.593 0.000 0.765 204 P CB -0.106 30.620 31.700 -1.624 0.000 0.936 205 I N -4.639 115.388 120.570 -0.905 0.000 3.239 205 I HA 0.560 4.742 4.170 0.021 0.000 0.314 205 I C -1.232 174.599 176.117 -0.476 0.000 1.126 205 I CA -2.010 58.913 61.300 -0.628 0.000 0.973 205 I CB 1.404 39.014 38.000 -0.650 0.000 1.252 205 I HN -0.238 nan 8.210 nan 0.000 0.463 206 F N 0.484 120.143 119.950 -0.486 0.000 2.613 206 F HA 0.520 5.059 4.527 0.021 0.000 0.342 206 F C 0.276 175.829 175.800 -0.412 0.000 1.066 206 F CA -0.745 57.010 58.000 -0.408 0.000 1.002 206 F CB 1.902 40.788 39.000 -0.190 0.000 1.319 206 F HN 0.376 nan 8.300 nan 0.000 0.495 207 F N 2.171 121.362 119.950 -1.266 0.000 2.259 207 F HA 0.049 4.589 4.527 0.021 0.000 0.298 207 F C 0.741 176.279 175.800 -0.436 0.000 1.088 207 F CA 0.675 58.149 58.000 -0.876 0.000 1.358 207 F CB -0.274 37.865 39.000 -1.434 0.000 1.040 207 F HN 0.121 nan 8.300 nan 0.000 0.505 208 I N -2.868 117.701 120.570 -0.003 0.000 2.910 208 I HA 0.387 4.569 4.170 0.021 0.000 0.310 208 I C 0.514 176.775 176.117 0.241 0.000 1.043 208 I CA -0.837 60.565 61.300 0.170 0.000 1.053 208 I CB 1.751 39.921 38.000 0.283 0.000 1.242 208 I HN -0.127 nan 8.210 nan 0.000 0.452 209 Q N 0.217 120.158 119.800 0.236 0.000 2.324 209 Q HA 0.128 4.480 4.340 0.021 0.000 0.207 209 Q C -0.299 175.869 176.000 0.280 0.000 0.928 209 Q CA 0.629 56.607 55.803 0.292 0.000 0.890 209 Q CB 0.494 29.467 28.738 0.391 0.000 1.001 209 Q HN 0.650 nan 8.270 nan 0.000 0.517 210 D N -1.164 119.374 120.400 0.231 0.000 2.505 210 D HA 0.305 4.958 4.640 0.021 0.000 0.249 210 D C 0.029 176.454 176.300 0.208 0.000 1.082 210 D CA -0.201 53.907 54.000 0.179 0.000 0.839 210 D CB 1.852 42.730 40.800 0.130 0.000 1.317 210 D HN 0.048 nan 8.370 nan 0.000 0.497 211 A N 3.373 126.288 122.820 0.158 0.000 2.024 211 A HA -0.250 4.082 4.320 0.021 0.000 0.220 211 A C 1.801 179.508 177.584 0.206 0.000 1.164 211 A CA 1.757 53.885 52.037 0.152 0.000 0.643 211 A CB -0.813 18.221 19.000 0.056 0.000 0.806 211 A HN 0.821 nan 8.150 nan 0.000 0.451 212 H N 0.006 119.133 119.070 0.094 0.000 2.460 212 H HA -0.036 4.532 4.556 0.021 0.000 0.297 212 H C 1.387 176.791 175.328 0.127 0.000 1.103 212 H CA 1.874 57.970 56.048 0.081 0.000 1.292 212 H CB 0.061 29.848 29.762 0.041 0.000 1.376 212 H HN 0.416 nan 8.280 nan 0.000 0.531 213 K N -0.646 119.879 120.400 0.209 0.000 2.387 213 K HA -0.013 4.319 4.320 0.021 0.000 0.198 213 K C 1.173 177.919 176.600 0.243 0.000 1.022 213 K CA -0.161 56.248 56.287 0.203 0.000 1.128 213 K CB 0.130 32.805 32.500 0.291 0.000 0.853 213 K HN 0.285 nan 8.250 nan 0.000 0.523 214 F N 3.058 123.068 119.950 0.100 0.000 2.095 214 F HA -0.151 4.388 4.527 0.020 0.000 0.298 214 F C -0.966 174.856 175.800 0.036 0.000 1.104 214 F CA 1.414 59.498 58.000 0.139 0.000 1.232 214 F CB -0.404 38.667 39.000 0.118 0.000 0.987 214 F HN 0.032 nan 8.300 nan 0.000 0.475 215 P HA -0.151 nan 4.420 nan 0.000 0.215 215 P C 1.041 178.019 177.300 -0.537 0.000 1.153 215 P CA 1.805 64.658 63.100 -0.411 0.000 0.853 215 P CB -0.092 31.388 31.700 -0.368 0.000 0.788 216 D N -1.094 119.146 120.400 -0.268 0.000 2.087 216 D HA -0.180 4.472 4.640 0.021 0.000 0.192 216 D C 1.845 177.877 176.300 -0.446 0.000 0.993 216 D CA 1.131 55.028 54.000 -0.170 0.000 0.828 216 D CB -0.956 39.932 40.800 0.146 0.000 0.968 216 D HN 0.143 nan 8.370 nan 0.000 0.448 217 F N 1.818 121.358 119.950 -0.683 0.000 2.095 217 F HA -0.247 4.293 4.527 0.021 0.000 0.298 217 F C 2.298 177.695 175.800 -0.672 0.000 1.104 217 F CA 1.238 58.626 58.000 -1.019 0.000 1.232 217 F CB -0.242 38.400 39.000 -0.596 0.000 0.987 217 F HN -0.235 nan 8.300 nan 0.000 0.475 218 V N 0.473 119.956 119.914 -0.718 0.000 2.295 218 V HA -0.358 3.774 4.120 0.021 0.000 0.246 218 V C 2.317 178.175 176.094 -0.394 0.000 1.049 218 V CA 2.503 64.415 62.300 -0.647 0.000 1.024 218 V CB -1.125 30.360 31.823 -0.564 0.000 0.648 218 V HN 0.479 nan 8.190 nan 0.000 0.447 219 H N -0.207 118.637 119.070 -0.377 0.000 2.352 219 H HA -0.179 4.389 4.556 0.021 0.000 0.299 219 H C 2.339 177.524 175.328 -0.238 0.000 1.097 219 H CA 1.132 57.040 56.048 -0.234 0.000 1.311 219 H CB -0.026 29.646 29.762 -0.150 0.000 1.377 219 H HN 0.489 nan 8.280 nan 0.000 0.504 220 A N 0.419 123.086 122.820 -0.255 0.000 1.902 220 A HA -0.128 4.205 4.320 0.021 0.000 0.217 220 A C 2.542 179.973 177.584 -0.256 0.000 1.181 220 A CA 1.538 53.415 52.037 -0.268 0.000 0.623 220 A CB -0.755 17.969 19.000 -0.460 0.000 0.818 220 A HN 0.304 nan 8.150 nan 0.000 0.443 221 V N -0.225 119.404 119.914 -0.474 0.000 2.649 221 V HA -0.009 4.124 4.120 0.021 0.000 0.248 221 V C 0.964 177.007 176.094 -0.086 0.000 1.054 221 V CA 0.844 62.913 62.300 -0.385 0.000 1.073 221 V CB -0.455 30.904 31.823 -0.774 0.000 0.699 221 V HN 0.346 nan 8.190 nan 0.000 0.463 222 K N 1.095 121.415 120.400 -0.132 0.000 2.156 222 K HA 0.198 4.531 4.320 0.021 0.000 0.242 222 K C -2.304 174.251 176.600 -0.076 0.000 1.033 222 K CA -1.592 54.639 56.287 -0.094 0.000 0.878 222 K CB -0.511 31.930 32.500 -0.100 0.000 1.057 222 K HN 0.159 nan 8.250 nan 0.000 0.505 223 P HA -0.014 nan 4.420 nan 0.000 0.264 223 P C -0.555 176.688 177.300 -0.093 0.000 1.193 223 P CA 0.421 63.386 63.100 -0.225 0.000 0.763 223 P CB 0.238 31.816 31.700 -0.204 0.000 0.810 224 E N 5.692 125.887 120.200 -0.007 0.000 2.414 224 E HA -0.039 4.323 4.350 0.021 0.000 0.263 224 E C -1.190 175.494 176.600 0.140 0.000 1.000 224 E CA -1.182 55.323 56.400 0.175 0.000 0.914 224 E CB 0.121 30.060 29.700 0.399 0.000 0.948 224 E HN 0.421 nan 8.360 nan 0.000 0.444 225 P HA -0.219 nan 4.420 nan 0.000 0.219 225 P C 1.072 178.448 177.300 0.126 0.000 1.150 225 P CA 1.441 64.587 63.100 0.078 0.000 0.814 225 P CB -0.018 31.700 31.700 0.031 0.000 0.787 226 H N -0.525 118.583 119.070 0.063 0.000 2.293 226 H HA -0.112 4.456 4.556 0.021 0.000 0.300 226 H C 1.467 176.895 175.328 0.167 0.000 1.082 226 H CA 1.655 57.727 56.048 0.040 0.000 1.308 226 H CB -1.494 28.217 29.762 -0.084 0.000 1.375 226 H HN 0.315 nan 8.280 nan 0.000 0.495 227 W N -0.183 120.758 121.300 -0.598 0.000 2.870 227 W HA 0.710 5.382 4.660 0.020 0.000 0.358 227 W C 0.405 176.755 176.519 -0.281 0.000 1.043 227 W CA -1.276 55.838 57.345 -0.385 0.000 1.692 227 W CB -0.813 28.388 29.460 -0.431 0.000 1.100 227 W HN 0.483 nan 8.180 nan 0.000 0.557 228 A N 1.424 124.212 122.820 -0.053 0.000 2.519 228 A HA -0.124 4.209 4.320 0.021 0.000 0.297 228 A C -0.476 176.872 177.584 -0.393 0.000 1.472 228 A CA 1.429 53.360 52.037 -0.176 0.000 0.739 228 A CB -2.365 16.560 19.000 -0.124 0.000 1.096 228 A HN 0.491 nan 8.150 nan 0.000 0.414 229 I N 0.762 120.964 120.570 -0.613 0.000 2.656 229 I HA 0.517 4.699 4.170 0.021 0.000 0.292 229 I C -2.588 173.217 176.117 -0.520 0.000 1.144 229 I CA -2.106 58.726 61.300 -0.782 0.000 1.038 229 I CB 3.136 40.157 38.000 -1.632 0.000 1.244 229 I HN 0.241 nan 8.210 nan 0.000 0.420 230 P HA 0.350 nan 4.420 nan 0.000 0.292 230 P C -1.628 175.501 177.300 -0.285 0.000 1.308 230 P CA -0.900 61.971 63.100 -0.382 0.000 0.933 230 P CB 1.720 33.268 31.700 -0.253 0.000 1.217 231 Q N 0.464 120.146 119.800 -0.196 0.000 2.267 231 Q HA 0.495 4.848 4.340 0.021 0.000 0.255 231 Q C 1.082 177.041 176.000 -0.069 0.000 0.923 231 Q CA 0.965 56.691 55.803 -0.128 0.000 0.925 231 Q CB -0.286 28.388 28.738 -0.107 0.000 1.195 231 Q HN 0.820 nan 8.270 nan 0.000 0.417 232 G N 3.167 111.937 108.800 -0.050 0.000 2.179 232 G HA2 -0.294 3.679 3.960 0.021 0.000 0.257 232 G HA3 -0.294 3.679 3.960 0.021 0.000 0.257 232 G C -0.363 174.547 174.900 0.017 0.000 1.010 232 G CA 0.573 45.669 45.100 -0.006 0.000 0.736 232 G HN 0.546 nan 8.290 nan 0.000 0.513 233 Q N -1.079 118.717 119.800 -0.007 0.000 2.345 233 Q HA 0.571 4.923 4.340 0.021 0.000 0.275 233 Q C 0.700 176.710 176.000 0.017 0.000 1.063 233 Q CA -0.136 55.690 55.803 0.039 0.000 0.819 233 Q CB 1.836 30.644 28.738 0.118 0.000 1.356 233 Q HN 0.454 nan 8.270 nan 0.000 0.418 234 S N -0.638 114.972 115.700 -0.150 0.000 2.556 234 S HA 0.249 4.732 4.470 0.021 0.000 0.216 234 S C 0.759 175.303 174.600 -0.092 0.000 0.970 234 S CA -0.086 57.781 58.200 -0.555 0.000 0.912 234 S CB 0.376 62.688 63.200 -1.480 0.000 0.790 234 S HN 0.586 nan 8.310 nan 0.000 0.504 235 A N 2.371 125.332 122.820 0.234 0.000 2.990 235 A HA 0.563 4.895 4.320 0.021 0.000 0.282 235 A C 0.031 177.848 177.584 0.390 0.000 1.688 235 A CA -0.590 51.662 52.037 0.358 0.000 1.391 235 A CB -1.149 17.990 19.000 0.231 0.000 1.112 235 A HN 0.900 nan 8.150 nan 0.000 0.588 236 H N -2.910 116.346 119.070 0.310 0.000 3.037 236 H HA 0.451 5.020 4.556 0.021 0.000 0.336 236 H C -0.321 175.198 175.328 0.318 0.000 1.323 236 H CA -0.734 55.460 56.048 0.244 0.000 1.159 236 H CB 0.249 30.114 29.762 0.173 0.000 1.882 236 H HN 0.109 nan 8.280 nan 0.000 0.535 237 D N 0.442 121.006 120.400 0.274 0.000 2.106 237 D HA -0.238 4.415 4.640 0.021 0.000 0.191 237 D C 2.173 178.535 176.300 0.103 0.000 0.997 237 D CA 3.293 57.394 54.000 0.168 0.000 0.834 237 D CB -0.460 40.415 40.800 0.124 0.000 0.956 237 D HN 0.800 nan 8.370 nan 0.000 0.448 238 T N -1.539 113.075 114.554 0.099 0.000 2.759 238 T HA -0.232 4.131 4.350 0.021 0.000 0.269 238 T C 1.901 176.547 174.700 -0.089 0.000 1.042 238 T CA 0.888 63.012 62.100 0.039 0.000 1.140 238 T CB -0.729 68.211 68.868 0.120 0.000 0.864 238 T HN 0.170 nan 8.240 nan 0.000 0.455 239 F N 0.732 120.373 119.950 -0.516 0.000 2.075 239 F HA 0.096 4.635 4.527 0.021 0.000 0.297 239 F C 1.874 177.419 175.800 -0.425 0.000 1.113 239 F CA 0.679 58.306 58.000 -0.621 0.000 1.218 239 F CB -0.634 37.804 39.000 -0.936 0.000 0.984 239 F HN 0.160 nan 8.300 nan 0.000 0.472 240 W N 0.576 121.804 121.300 -0.120 0.000 2.467 240 W HA -0.086 4.587 4.660 0.021 0.000 0.275 240 W C 2.277 178.712 176.519 -0.139 0.000 1.239 240 W CA 0.930 58.182 57.345 -0.154 0.000 1.266 240 W CB -0.550 28.908 29.460 -0.004 0.000 1.112 240 W HN 0.076 nan 8.180 nan 0.000 0.576 241 D N -0.532 119.907 120.400 0.065 0.000 2.084 241 D HA -0.292 4.361 4.640 0.021 0.000 0.194 241 D C 1.877 178.186 176.300 0.016 0.000 0.990 241 D CA 1.482 55.506 54.000 0.041 0.000 0.826 241 D CB -0.564 40.268 40.800 0.055 0.000 0.971 241 D HN 0.181 nan 8.370 nan 0.000 0.453 242 Y N 0.471 120.677 120.300 -0.156 0.000 2.128 242 Y HA -0.207 4.356 4.550 0.021 0.000 0.284 242 Y C 2.302 178.075 175.900 -0.211 0.000 1.154 242 Y CA 1.532 59.527 58.100 -0.175 0.000 1.149 242 Y CB -0.465 37.865 38.460 -0.218 0.000 0.976 242 Y HN -0.112 nan 8.280 nan 0.000 0.505 243 V N 0.127 119.940 119.914 -0.169 0.000 2.287 243 V HA -0.358 3.774 4.120 0.021 0.000 0.248 243 V C 2.576 178.618 176.094 -0.086 0.000 1.053 243 V CA 2.335 64.511 62.300 -0.206 0.000 1.027 243 V CB -1.202 30.372 31.823 -0.416 0.000 0.646 243 V HN 0.672 nan 8.190 nan 0.000 0.447 244 S N -0.350 115.340 115.700 -0.016 0.000 2.423 244 S HA -0.038 4.444 4.470 0.021 0.000 0.231 244 S C 1.735 176.300 174.600 -0.058 0.000 1.014 244 S CA 1.256 59.464 58.200 0.012 0.000 0.965 244 S CB -0.433 62.800 63.200 0.055 0.000 0.785 244 S HN 0.555 nan 8.310 nan 0.000 0.495 245 L N -0.023 121.123 121.223 -0.127 0.000 2.529 245 L HA 0.284 4.636 4.340 0.021 0.000 0.223 245 L C 0.545 177.250 176.870 -0.275 0.000 1.113 245 L CA 0.231 54.969 54.840 -0.170 0.000 0.861 245 L CB -0.037 41.926 42.059 -0.160 0.000 1.012 245 L HN 0.254 nan 8.230 nan 0.000 0.461 246 Q N 0.306 119.898 119.800 -0.348 0.000 2.771 246 Q HA 0.241 4.593 4.340 0.021 0.000 0.247 246 Q C -1.937 173.847 176.000 -0.360 0.000 0.986 246 Q CA -1.569 53.986 55.803 -0.413 0.000 0.713 246 Q CB 1.648 30.032 28.738 -0.590 0.000 1.241 246 Q HN -0.030 nan 8.270 nan 0.000 0.488 247 P HA -0.212 nan 4.420 nan 0.000 0.225 247 P C 1.019 178.027 177.300 -0.488 0.000 1.148 247 P CA 1.116 63.944 63.100 -0.454 0.000 0.779 247 P CB 0.274 31.655 31.700 -0.533 0.000 0.780 248 E N 0.524 120.350 120.200 -0.623 0.000 2.209 248 E HA -0.185 4.177 4.350 0.021 0.000 0.196 248 E C 1.500 178.074 176.600 -0.044 0.000 0.993 248 E CA 1.896 58.191 56.400 -0.175 0.000 0.819 248 E CB -1.366 28.293 29.700 -0.069 0.000 0.745 248 E HN 0.289 nan 8.360 nan 0.000 0.477 249 T N -0.502 114.022 114.554 -0.050 0.000 3.035 249 T HA 0.008 4.371 4.350 0.021 0.000 0.268 249 T C 1.999 176.758 174.700 0.098 0.000 1.109 249 T CA 0.455 62.578 62.100 0.039 0.000 1.119 249 T CB -0.376 68.537 68.868 0.074 0.000 0.900 249 T HN 0.140 nan 8.240 nan 0.000 0.503 250 L N 0.196 121.483 121.223 0.108 0.000 2.043 250 L HA -0.179 4.174 4.340 0.021 0.000 0.212 250 L C 2.856 179.889 176.870 0.273 0.000 1.075 250 L CA 2.130 57.103 54.840 0.221 0.000 0.752 250 L CB -0.820 41.381 42.059 0.236 0.000 0.891 250 L HN 0.497 nan 8.230 nan 0.000 0.432 251 H N 0.008 119.124 119.070 0.077 0.000 2.267 251 H HA -0.230 4.338 4.556 0.021 0.000 0.297 251 H C 2.208 177.544 175.328 0.013 0.000 1.080 251 H CA 1.977 58.068 56.048 0.073 0.000 1.278 251 H CB 0.125 29.895 29.762 0.014 0.000 1.365 251 H HN 0.362 nan 8.280 nan 0.000 0.489 252 N N -0.160 118.362 118.700 -0.296 0.000 2.223 252 N HA -0.138 4.615 4.740 0.021 0.000 0.185 252 N C 1.956 177.295 175.510 -0.284 0.000 1.016 252 N CA 0.807 53.474 53.050 -0.639 0.000 0.863 252 N CB 0.226 37.884 38.487 -1.382 0.000 0.983 252 N HN 0.124 nan 8.380 nan 0.000 0.429 253 V N 1.582 121.531 119.914 0.060 0.000 2.343 253 V HA -0.255 3.878 4.120 0.021 0.000 0.247 253 V C 2.487 178.690 176.094 0.183 0.000 1.051 253 V CA 1.266 63.736 62.300 0.284 0.000 1.036 253 V CB -0.362 31.676 31.823 0.359 0.000 0.654 253 V HN 0.411 nan 8.190 nan 0.000 0.451 254 M N -1.649 118.087 119.600 0.226 0.000 2.108 254 M HA -0.217 4.276 4.480 0.021 0.000 0.261 254 M C 2.081 178.321 176.300 -0.100 0.000 1.066 254 M CA 1.912 57.334 55.300 0.202 0.000 1.107 254 M CB -1.176 31.576 32.600 0.254 0.000 1.356 254 M HN 0.474 nan 8.290 nan 0.000 0.406 255 W N 0.393 121.392 121.300 -0.502 0.000 2.358 255 W HA -0.078 4.595 4.660 0.021 0.000 0.303 255 W C 2.781 179.218 176.519 -0.136 0.000 1.208 255 W CA 1.771 58.802 57.345 -0.523 0.000 1.274 255 W CB -0.859 28.239 29.460 -0.604 0.000 1.138 255 W HN 0.277 nan 8.180 nan 0.000 0.515 256 A N -0.733 122.162 122.820 0.124 0.000 1.930 256 A HA -0.173 4.160 4.320 0.021 0.000 0.217 256 A C 1.936 179.571 177.584 0.085 0.000 1.175 256 A CA 1.563 53.682 52.037 0.136 0.000 0.627 256 A CB -0.591 18.520 19.000 0.185 0.000 0.815 256 A HN 0.082 nan 8.150 nan 0.000 0.443 257 M N 0.782 120.383 119.600 0.003 0.000 2.394 257 M HA -0.003 4.490 4.480 0.021 0.000 0.264 257 M C 1.550 177.887 176.300 0.061 0.000 1.073 257 M CA 0.886 56.126 55.300 -0.100 0.000 1.111 257 M CB -1.429 30.837 32.600 -0.557 0.000 1.401 257 M HN 0.558 nan 8.290 nan 0.000 0.448 258 S N 0.104 115.902 115.700 0.163 0.000 2.641 258 S HA 0.079 4.562 4.470 0.021 0.000 0.261 258 S C 0.800 175.538 174.600 0.231 0.000 1.257 258 S CA -0.416 57.931 58.200 0.246 0.000 0.983 258 S CB 0.831 64.230 63.200 0.332 0.000 0.990 258 S HN 0.180 nan 8.310 nan 0.000 0.572 259 D N 0.138 120.698 120.400 0.266 0.000 2.350 259 D HA 0.027 4.679 4.640 0.021 0.000 0.216 259 D C 1.963 178.418 176.300 0.259 0.000 0.968 259 D CA 0.394 54.569 54.000 0.292 0.000 0.894 259 D CB -0.155 40.892 40.800 0.412 0.000 0.909 259 D HN 0.359 nan 8.370 nan 0.000 0.520 260 R N 0.223 120.870 120.500 0.246 0.000 2.127 260 R HA -0.064 4.288 4.340 0.021 0.000 0.238 260 R C 2.116 178.574 176.300 0.263 0.000 1.134 260 R CA 1.090 57.355 56.100 0.275 0.000 0.975 260 R CB -0.944 29.581 30.300 0.376 0.000 0.865 260 R HN 0.199 nan 8.270 nan 0.000 0.447 261 G N 1.311 110.254 108.800 0.238 0.000 2.625 261 G HA2 -0.063 3.909 3.960 0.021 0.000 0.214 261 G HA3 -0.063 3.909 3.960 0.021 0.000 0.214 261 G C 1.007 176.047 174.900 0.234 0.000 1.132 261 G CA 0.271 45.502 45.100 0.218 0.000 0.782 261 G HN 0.440 nan 8.290 nan 0.000 0.538 262 I N -2.201 118.518 120.570 0.248 0.000 2.871 262 I HA 0.355 4.537 4.170 0.021 0.000 0.284 262 I C -2.844 173.426 176.117 0.255 0.000 1.390 262 I CA -2.666 58.789 61.300 0.259 0.000 0.958 262 I CB 1.796 39.954 38.000 0.264 0.000 1.618 262 I HN -0.268 nan 8.210 nan 0.000 0.595 263 P HA 0.034 nan 4.420 nan 0.000 0.267 263 P C 0.558 177.980 177.300 0.204 0.000 1.200 263 P CA -0.099 63.096 63.100 0.158 0.000 0.772 263 P CB 1.137 32.859 31.700 0.038 0.000 0.855 264 R N 2.143 122.756 120.500 0.189 0.000 2.115 264 R HA -0.005 4.347 4.340 0.021 0.000 0.230 264 R C 0.431 176.879 176.300 0.247 0.000 1.111 264 R CA 1.655 57.921 56.100 0.277 0.000 0.976 264 R CB -0.422 30.026 30.300 0.246 0.000 0.870 264 R HN 0.669 nan 8.270 nan 0.000 0.445 265 S N -3.349 112.287 115.700 -0.107 0.000 2.611 265 S HA 0.165 4.648 4.470 0.021 0.000 0.270 265 S C -0.080 174.200 174.600 -0.533 0.000 1.131 265 S CA -0.787 57.153 58.200 -0.434 0.000 0.826 265 S CB -0.259 62.841 63.200 -0.167 0.000 1.095 265 S HN 0.026 nan 8.310 nan 0.000 0.461 266 Y N 1.449 121.406 120.300 -0.573 0.000 2.333 266 Y HA 0.067 4.629 4.550 0.021 0.000 0.290 266 Y C 2.565 178.131 175.900 -0.557 0.000 1.144 266 Y CA 1.389 59.023 58.100 -0.777 0.000 1.228 266 Y CB -0.501 37.131 38.460 -1.380 0.000 0.985 266 Y HN 0.587 nan 8.280 nan 0.000 0.542 267 R N -0.488 119.889 120.500 -0.206 0.000 2.189 267 R HA -0.054 4.298 4.340 0.021 0.000 0.223 267 R C 1.011 177.262 176.300 -0.083 0.000 1.092 267 R CA 1.566 57.587 56.100 -0.131 0.000 0.989 267 R CB -0.552 29.669 30.300 -0.132 0.000 0.876 267 R HN 0.354 nan 8.270 nan 0.000 0.457 268 T N -1.558 112.965 114.554 -0.053 0.000 3.313 268 T HA 0.377 4.740 4.350 0.021 0.000 0.263 268 T C 0.207 174.938 174.700 0.051 0.000 0.983 268 T CA -0.665 61.432 62.100 -0.005 0.000 0.963 268 T CB -0.148 68.707 68.868 -0.021 0.000 1.141 268 T HN 0.086 nan 8.240 nan 0.000 0.526 269 M N -1.290 118.379 119.600 0.116 0.000 2.619 269 M HA 0.733 5.225 4.480 0.021 0.000 0.297 269 M C -1.078 175.393 176.300 0.286 0.000 1.229 269 M CA -0.918 54.493 55.300 0.185 0.000 0.860 269 M CB 2.143 34.848 32.600 0.174 0.000 1.741 269 M HN -0.152 nan 8.290 nan 0.000 0.462 270 E N 0.324 120.700 120.200 0.293 0.000 2.342 270 E HA 0.671 5.034 4.350 0.021 0.000 0.257 270 E C -0.351 176.358 176.600 0.181 0.000 1.150 270 E CA -0.541 55.985 56.400 0.211 0.000 0.926 270 E CB 1.686 31.474 29.700 0.146 0.000 1.074 270 E HN 0.864 nan 8.360 nan 0.000 0.449 271 G N 0.766 109.497 108.800 -0.114 0.000 2.591 271 G HA2 0.614 4.586 3.960 0.021 0.000 0.306 271 G HA3 0.614 4.586 3.960 0.021 0.000 0.306 271 G C -1.518 172.983 174.900 -0.665 0.000 1.334 271 G CA -0.461 44.556 45.100 -0.138 0.000 0.981 271 G HN 0.275 nan 8.290 nan 0.000 0.491 272 F N -0.010 119.883 119.950 -0.095 0.000 2.601 272 F HA 0.520 5.060 4.527 0.021 0.000 0.309 272 F C 1.077 176.781 175.800 -0.159 0.000 1.089 272 F CA -0.560 57.305 58.000 -0.225 0.000 0.940 272 F CB 2.621 41.431 39.000 -0.316 0.000 1.273 272 F HN 0.595 nan 8.300 nan 0.000 0.450 273 G N 0.801 109.651 108.800 0.084 0.000 2.712 273 G HA2 0.145 4.117 3.960 0.021 0.000 0.212 273 G HA3 0.145 4.117 3.960 0.021 0.000 0.212 273 G C 1.203 176.158 174.900 0.091 0.000 1.142 273 G CA 0.756 45.950 45.100 0.157 0.000 0.789 273 G HN 0.802 nan 8.290 nan 0.000 0.535 274 I N -0.978 119.568 120.570 -0.039 0.000 4.497 274 I HA -0.325 3.858 4.170 0.021 0.000 0.059 274 I C 0.592 176.559 176.117 -0.250 0.000 0.607 274 I CA 1.595 62.744 61.300 -0.251 0.000 0.958 274 I CB -1.217 36.527 38.000 -0.427 0.000 0.864 274 I HN 0.282 nan 8.210 nan 0.000 0.166 275 H N 1.937 121.027 119.070 0.033 0.000 2.607 275 H HA 0.273 4.841 4.556 0.021 0.000 0.367 275 H C 0.089 175.366 175.328 -0.084 0.000 1.181 275 H CA 0.336 56.316 56.048 -0.115 0.000 1.402 275 H CB 0.441 29.983 29.762 -0.365 0.000 1.474 275 H HN 0.138 nan 8.280 nan 0.000 0.596 276 T N 3.529 118.048 114.554 -0.059 0.000 2.761 276 T HA 0.247 4.610 4.350 0.021 0.000 0.296 276 T C 0.125 174.759 174.700 -0.110 0.000 0.934 276 T CA -0.057 61.994 62.100 -0.082 0.000 1.091 276 T CB -0.231 68.525 68.868 -0.187 0.000 0.896 276 T HN 0.233 nan 8.240 nan 0.000 0.515 277 F N 1.481 121.386 119.950 -0.075 0.000 2.611 277 F HA 0.640 5.180 4.527 0.021 0.000 0.374 277 F C 1.065 176.840 175.800 -0.041 0.000 1.110 277 F CA -1.304 56.690 58.000 -0.010 0.000 1.090 277 F CB 1.359 40.360 39.000 0.001 0.000 1.388 277 F HN 0.176 nan 8.300 nan 0.000 0.501 278 R N 0.719 121.310 120.500 0.151 0.000 2.740 278 R HA 0.649 5.001 4.340 0.021 0.000 0.282 278 R C -1.644 174.580 176.300 -0.128 0.000 0.969 278 R CA -0.909 55.156 56.100 -0.059 0.000 0.918 278 R CB 1.909 32.110 30.300 -0.164 0.000 1.175 278 R HN 0.445 nan 8.270 nan 0.000 0.464 279 L N 3.686 124.782 121.223 -0.212 0.000 2.307 279 L HA 0.517 4.870 4.340 0.021 0.000 0.284 279 L C -0.447 176.289 176.870 -0.223 0.000 1.023 279 L CA -0.862 53.859 54.840 -0.198 0.000 0.810 279 L CB 1.316 43.267 42.059 -0.180 0.000 1.231 279 L HN 0.356 nan 8.230 nan 0.000 0.423 280 I N 3.109 123.566 120.570 -0.187 0.000 2.389 280 I HA 0.285 4.468 4.170 0.021 0.000 0.288 280 I C -0.207 175.832 176.117 -0.129 0.000 0.999 280 I CA -0.635 60.554 61.300 -0.185 0.000 1.129 280 I CB 1.406 39.303 38.000 -0.172 0.000 1.288 280 I HN 0.641 nan 8.210 nan 0.000 0.444 281 N N 5.031 123.665 118.700 -0.111 0.000 2.476 281 N HA 0.375 5.128 4.740 0.021 0.000 0.287 281 N C 0.782 176.254 175.510 -0.063 0.000 1.262 281 N CA -0.432 52.571 53.050 -0.079 0.000 0.980 281 N CB 0.579 39.026 38.487 -0.066 0.000 1.163 281 N HN 0.513 nan 8.380 nan 0.000 0.592 282 A N -0.595 122.197 122.820 -0.048 0.000 2.015 282 A HA -0.087 4.246 4.320 0.021 0.000 0.219 282 A C 1.504 179.070 177.584 -0.031 0.000 1.163 282 A CA 1.184 53.199 52.037 -0.038 0.000 0.646 282 A CB -0.744 18.239 19.000 -0.028 0.000 0.806 282 A HN 0.765 nan 8.150 nan 0.000 0.448 283 E N -1.358 118.824 120.200 -0.030 0.000 2.427 283 E HA 0.265 4.628 4.350 0.021 0.000 0.196 283 E C 1.273 177.864 176.600 -0.015 0.000 1.028 283 E CA 0.801 57.188 56.400 -0.021 0.000 0.864 283 E CB -0.106 29.582 29.700 -0.020 0.000 0.813 283 E HN 0.746 nan 8.360 nan 0.000 0.514 284 G N 0.851 109.639 108.800 -0.020 0.000 2.159 284 G HA2 -0.311 3.661 3.960 0.021 0.000 0.227 284 G HA3 -0.311 3.661 3.960 0.021 0.000 0.227 284 G C 0.181 175.097 174.900 0.027 0.000 0.986 284 G CA 0.030 45.136 45.100 0.010 0.000 0.651 284 G HN 0.214 nan 8.290 nan 0.000 0.523 285 K N 0.924 121.303 120.400 -0.035 0.000 2.276 285 K HA 0.654 4.987 4.320 0.021 0.000 0.283 285 K C 0.498 176.969 176.600 -0.215 0.000 1.044 285 K CA 0.222 56.461 56.287 -0.079 0.000 0.944 285 K CB 0.626 33.081 32.500 -0.076 0.000 1.012 285 K HN 0.526 nan 8.250 nan 0.000 0.472 286 A N 3.530 126.117 122.820 -0.388 0.000 2.274 286 A HA 0.381 4.714 4.320 0.021 0.000 0.309 286 A C -0.696 176.570 177.584 -0.531 0.000 1.226 286 A CA -0.458 51.188 52.037 -0.653 0.000 0.853 286 A CB 0.994 19.162 19.000 -1.387 0.000 1.146 286 A HN 0.707 nan 8.150 nan 0.000 0.518 287 T N 2.708 116.998 114.554 -0.441 0.000 2.824 287 T HA 0.537 4.899 4.350 0.021 0.000 0.282 287 T C -0.533 173.957 174.700 -0.351 0.000 0.993 287 T CA -0.093 61.789 62.100 -0.363 0.000 0.967 287 T CB 0.393 69.145 68.868 -0.192 0.000 0.960 287 T HN 0.341 nan 8.240 nan 0.000 0.441 288 F N 2.121 121.982 119.950 -0.149 0.000 2.471 288 F HA 0.514 5.053 4.527 0.021 0.000 0.353 288 F C 0.582 176.263 175.800 -0.199 0.000 1.113 288 F CA -0.482 57.424 58.000 -0.157 0.000 1.262 288 F CB 0.573 39.501 39.000 -0.122 0.000 1.146 288 F HN 0.180 nan 8.300 nan 0.000 0.578 289 V N 4.551 124.424 119.914 -0.069 0.000 2.851 289 V HA 0.551 4.683 4.120 0.021 0.000 0.307 289 V C -1.051 174.778 176.094 -0.442 0.000 1.129 289 V CA -0.769 61.323 62.300 -0.347 0.000 0.932 289 V CB 2.091 33.487 31.823 -0.711 0.000 1.024 289 V HN 0.764 nan 8.190 nan 0.000 0.426 290 R N 4.864 125.148 120.500 -0.361 0.000 2.494 290 R HA 0.546 4.899 4.340 0.021 0.000 0.305 290 R C -1.578 174.574 176.300 -0.247 0.000 0.959 290 R CA -0.473 55.471 56.100 -0.261 0.000 0.864 290 R CB 1.928 32.209 30.300 -0.033 0.000 1.159 290 R HN 0.589 nan 8.270 nan 0.000 0.446 291 F N 2.456 122.409 119.950 0.005 0.000 2.396 291 F HA 0.337 4.876 4.527 0.021 0.000 0.343 291 F C 1.033 176.755 175.800 -0.130 0.000 1.104 291 F CA 0.009 57.967 58.000 -0.071 0.000 1.161 291 F CB 0.779 39.642 39.000 -0.227 0.000 1.146 291 F HN 0.214 nan 8.300 nan 0.000 0.522 292 H N 1.046 120.088 119.070 -0.046 0.000 2.821 292 H HA 0.278 4.846 4.556 0.021 0.000 0.373 292 H C -1.554 173.526 175.328 -0.415 0.000 1.165 292 H CA -0.970 54.946 56.048 -0.220 0.000 1.154 292 H CB 2.063 31.794 29.762 -0.053 0.000 1.765 292 H HN 0.670 nan 8.280 nan 0.000 0.549 293 W N 2.290 123.491 121.300 -0.166 0.000 2.619 293 W HA 0.301 4.973 4.660 0.021 0.000 0.327 293 W C -0.224 176.327 176.519 0.053 0.000 1.027 293 W CA -0.725 56.580 57.345 -0.066 0.000 1.233 293 W CB 1.725 31.024 29.460 -0.269 0.000 1.370 293 W HN 0.244 nan 8.180 nan 0.000 0.453 294 K N 5.644 126.308 120.400 0.439 0.000 2.213 294 K HA 0.397 4.730 4.320 0.021 0.000 0.270 294 K C -2.403 174.421 176.600 0.373 0.000 1.002 294 K CA -1.888 54.595 56.287 0.326 0.000 0.868 294 K CB 1.473 34.116 32.500 0.239 0.000 1.093 294 K HN 0.035 nan 8.250 nan 0.000 0.454 295 P HA 0.031 nan 4.420 nan 0.000 0.270 295 P C 0.411 177.726 177.300 0.025 0.000 1.242 295 P CA 0.001 63.177 63.100 0.127 0.000 0.768 295 P CB 0.597 32.376 31.700 0.131 0.000 0.820 296 L N 2.499 123.679 121.223 -0.072 0.000 2.478 296 L HA -0.036 4.317 4.340 0.021 0.000 0.223 296 L C 2.064 178.913 176.870 -0.034 0.000 1.140 296 L CA 0.966 55.795 54.840 -0.018 0.000 0.842 296 L CB -0.547 41.512 42.059 -0.001 0.000 0.953 296 L HN 0.347 nan 8.230 nan 0.000 0.452 297 A N -0.141 122.634 122.820 -0.076 0.000 2.251 297 A HA 0.444 4.777 4.320 0.021 0.000 0.209 297 A C 1.237 178.814 177.584 -0.010 0.000 1.187 297 A CA 0.648 52.656 52.037 -0.048 0.000 0.823 297 A CB -0.118 18.836 19.000 -0.076 0.000 0.846 297 A HN 0.450 nan 8.150 nan 0.000 0.486 298 G N -0.644 108.162 108.800 0.010 0.000 2.631 298 G HA2 -0.099 3.874 3.960 0.021 0.000 0.504 298 G HA3 -0.099 3.874 3.960 0.021 0.000 0.504 298 G C -0.694 174.228 174.900 0.037 0.000 1.306 298 G CA -0.499 44.625 45.100 0.039 0.000 0.897 298 G HN 0.399 nan 8.290 nan 0.000 0.520 299 K N 0.178 120.601 120.400 0.037 0.000 2.185 299 K HA 0.717 5.050 4.320 0.021 0.000 0.269 299 K C 0.072 176.644 176.600 -0.046 0.000 0.987 299 K CA 0.178 56.468 56.287 0.005 0.000 0.865 299 K CB 1.762 34.252 32.500 -0.017 0.000 1.090 299 K HN 1.451 nan 8.250 nan 0.000 0.450 300 A N 1.844 124.633 122.820 -0.052 0.000 2.540 300 A HA 0.590 4.922 4.320 0.021 0.000 0.297 300 A C -1.143 176.496 177.584 0.091 0.000 1.056 300 A CA -0.659 51.312 52.037 -0.110 0.000 0.700 300 A CB 1.652 20.403 19.000 -0.414 0.000 1.280 300 A HN 0.521 nan 8.150 nan 0.000 0.398 301 S N 0.496 116.428 115.700 0.388 0.000 2.667 301 S HA 0.781 5.264 4.470 0.021 0.000 0.292 301 S C -0.168 174.769 174.600 0.561 0.000 1.126 301 S CA -0.618 57.835 58.200 0.421 0.000 0.881 301 S CB 1.226 64.651 63.200 0.375 0.000 1.132 301 S HN 0.659 nan 8.310 nan 0.000 0.492 302 L N 1.169 122.603 121.223 0.352 0.000 2.567 302 L HA 0.639 4.992 4.340 0.021 0.000 0.238 302 L C -0.083 176.898 176.870 0.186 0.000 1.168 302 L CA -0.899 54.066 54.840 0.208 0.000 0.817 302 L CB 0.231 42.329 42.059 0.066 0.000 1.409 302 L HN 0.495 nan 8.230 nan 0.000 0.502 303 V N -3.260 116.661 119.914 0.012 0.000 2.769 303 V HA 0.193 4.326 4.120 0.021 0.000 0.312 303 V C 0.677 176.720 176.094 -0.084 0.000 1.058 303 V CA -0.809 61.466 62.300 -0.042 0.000 0.952 303 V CB 1.618 33.400 31.823 -0.068 0.000 1.019 303 V HN 0.944 nan 8.190 nan 0.000 0.445 304 W N 2.110 123.276 121.300 -0.222 0.000 2.302 304 W HA -0.268 4.404 4.660 0.021 0.000 0.320 304 W C 1.795 178.167 176.519 -0.245 0.000 1.241 304 W CA 2.660 59.876 57.345 -0.216 0.000 1.264 304 W CB -0.124 29.197 29.460 -0.232 0.000 1.154 304 W HN 1.002 nan 8.180 nan 0.000 0.483 305 D N 0.129 120.258 120.400 -0.452 0.000 2.149 305 D HA -0.297 4.355 4.640 0.021 0.000 0.198 305 D C 2.157 178.093 176.300 -0.606 0.000 0.990 305 D CA 2.202 55.895 54.000 -0.511 0.000 0.839 305 D CB -0.492 40.268 40.800 -0.068 0.000 0.948 305 D HN 0.418 nan 8.370 nan 0.000 0.460 306 E N -0.366 119.335 120.200 -0.832 0.000 2.028 306 E HA -0.190 4.173 4.350 0.021 0.000 0.191 306 E C 2.059 178.314 176.600 -0.575 0.000 0.988 306 E CA 1.024 56.882 56.400 -0.904 0.000 0.799 306 E CB -0.243 28.826 29.700 -1.052 0.000 0.755 306 E HN 0.286 nan 8.360 nan 0.000 0.447 307 A N 1.300 123.818 122.820 -0.503 0.000 1.883 307 A HA -0.293 4.040 4.320 0.021 0.000 0.217 307 A C 2.216 179.481 177.584 -0.532 0.000 1.186 307 A CA 1.993 53.788 52.037 -0.403 0.000 0.624 307 A CB -0.852 18.027 19.000 -0.202 0.000 0.822 307 A HN 0.480 nan 8.150 nan 0.000 0.444 308 Q N -0.650 118.604 119.800 -0.910 0.000 2.084 308 Q HA -0.223 4.130 4.340 0.021 0.000 0.202 308 Q C 2.166 177.886 176.000 -0.467 0.000 0.978 308 Q CA 2.027 57.320 55.803 -0.850 0.000 0.844 308 Q CB -0.139 27.814 28.738 -1.308 0.000 0.898 308 Q HN 0.663 nan 8.270 nan 0.000 0.426 309 K N -0.164 119.977 120.400 -0.430 0.000 2.097 309 K HA -0.150 4.183 4.320 0.021 0.000 0.206 309 K C 1.967 178.425 176.600 -0.236 0.000 1.049 309 K CA 0.847 56.977 56.287 -0.262 0.000 0.933 309 K CB -0.088 32.292 32.500 -0.200 0.000 0.717 309 K HN 0.157 nan 8.250 nan 0.000 0.442 310 L N 1.092 122.134 121.223 -0.302 0.000 2.275 310 L HA -0.115 4.238 4.340 0.021 0.000 0.215 310 L C 2.081 178.817 176.870 -0.223 0.000 1.119 310 L CA 2.001 56.662 54.840 -0.298 0.000 0.790 310 L CB -0.800 41.002 42.059 -0.428 0.000 0.919 310 L HN 0.366 nan 8.230 nan 0.000 0.443 311 T N -4.587 109.843 114.554 -0.207 0.000 2.915 311 T HA -0.043 4.320 4.350 0.021 0.000 0.269 311 T C 1.843 176.482 174.700 -0.103 0.000 1.071 311 T CA 0.915 62.934 62.100 -0.135 0.000 1.132 311 T CB -0.826 67.977 68.868 -0.108 0.000 0.878 311 T HN 0.357 nan 8.240 nan 0.000 0.479 312 G N 1.291 110.022 108.800 -0.114 0.000 2.417 312 G HA2 -0.007 3.965 3.960 0.021 0.000 0.212 312 G HA3 -0.007 3.965 3.960 0.021 0.000 0.212 312 G C 1.886 176.742 174.900 -0.074 0.000 1.187 312 G CA -0.249 44.800 45.100 -0.085 0.000 0.804 312 G HN 0.305 nan 8.290 nan 0.000 0.534 313 R N 0.351 120.798 120.500 -0.090 0.000 2.148 313 R HA 0.039 4.391 4.340 0.021 0.000 0.223 313 R C -0.173 176.097 176.300 -0.049 0.000 1.088 313 R CA 0.835 56.894 56.100 -0.069 0.000 0.985 313 R CB -0.227 30.023 30.300 -0.083 0.000 0.880 313 R HN 0.375 nan 8.270 nan 0.000 0.451 314 D N -0.788 119.578 120.400 -0.056 0.000 2.362 314 D HA 0.124 4.776 4.640 0.021 0.000 0.232 314 D C -2.209 174.090 176.300 -0.003 0.000 1.329 314 D CA -1.587 52.410 54.000 -0.005 0.000 0.944 314 D CB 1.353 42.192 40.800 0.064 0.000 1.471 314 D HN -0.161 nan 8.370 nan 0.000 0.533 315 P HA 0.040 nan 4.420 nan 0.000 0.230 315 P C 0.033 177.337 177.300 0.006 0.000 1.158 315 P CA 0.629 63.718 63.100 -0.018 0.000 0.769 315 P CB 0.465 32.151 31.700 -0.022 0.000 0.807 316 D N -1.509 118.905 120.400 0.023 0.000 2.463 316 D HA 0.087 4.740 4.640 0.021 0.000 0.224 316 D C 1.155 177.484 176.300 0.049 0.000 1.174 316 D CA -0.470 53.548 54.000 0.030 0.000 0.829 316 D CB -0.524 40.274 40.800 -0.004 0.000 0.993 316 D HN 0.106 nan 8.370 nan 0.000 0.497 317 F N 1.259 121.143 119.950 -0.110 0.000 2.126 317 F HA -0.246 4.293 4.527 0.021 0.000 0.299 317 F C 2.056 177.814 175.800 -0.069 0.000 1.096 317 F CA 1.891 59.816 58.000 -0.124 0.000 1.255 317 F CB 0.094 38.963 39.000 -0.217 0.000 0.997 317 F HN 0.111 nan 8.300 nan 0.000 0.479 318 H N -1.203 117.776 119.070 -0.153 0.000 2.363 318 H HA -0.087 4.482 4.556 0.021 0.000 0.301 318 H C 2.388 177.633 175.328 -0.139 0.000 1.074 318 H CA 1.014 56.850 56.048 -0.353 0.000 1.354 318 H CB -0.142 29.246 29.762 -0.623 0.000 1.397 318 H HN 0.165 nan 8.280 nan 0.000 0.516 319 R N 1.266 121.871 120.500 0.175 0.000 2.073 319 R HA -0.143 4.210 4.340 0.021 0.000 0.234 319 R C 2.449 178.858 176.300 0.182 0.000 1.134 319 R CA 1.448 57.701 56.100 0.254 0.000 0.952 319 R CB -0.050 30.380 30.300 0.216 0.000 0.850 319 R HN 0.201 nan 8.270 nan 0.000 0.433 320 R N 0.349 120.877 120.500 0.047 0.000 2.066 320 R HA -0.147 4.205 4.340 0.021 0.000 0.232 320 R C 2.212 178.521 176.300 0.015 0.000 1.131 320 R CA 1.704 57.816 56.100 0.020 0.000 0.955 320 R CB -0.299 29.975 30.300 -0.044 0.000 0.851 320 R HN 0.272 nan 8.270 nan 0.000 0.432 321 E N 0.793 120.889 120.200 -0.173 0.000 2.085 321 E HA -0.215 4.147 4.350 0.021 0.000 0.194 321 E C 2.006 178.597 176.600 -0.016 0.000 0.994 321 E CA 1.232 57.515 56.400 -0.196 0.000 0.801 321 E CB -0.127 29.295 29.700 -0.463 0.000 0.743 321 E HN 0.273 nan 8.360 nan 0.000 0.453 322 L N 0.985 122.244 121.223 0.060 0.000 1.994 322 L HA -0.162 4.191 4.340 0.021 0.000 0.208 322 L C 2.277 179.261 176.870 0.190 0.000 1.071 322 L CA 1.988 56.912 54.840 0.140 0.000 0.745 322 L CB -1.148 41.060 42.059 0.247 0.000 0.892 322 L HN 0.327 nan 8.230 nan 0.000 0.431 323 W N 0.972 122.319 121.300 0.078 0.000 2.335 323 W HA -0.242 4.430 4.660 0.021 0.000 0.311 323 W C 2.257 178.815 176.519 0.066 0.000 1.213 323 W CA 2.333 59.732 57.345 0.090 0.000 1.274 323 W CB -0.182 29.331 29.460 0.088 0.000 1.148 323 W HN 0.373 nan 8.180 nan 0.000 0.498 324 E N -0.127 120.261 120.200 0.314 0.000 2.150 324 E HA -0.127 4.235 4.350 0.021 0.000 0.193 324 E C 2.341 178.986 176.600 0.075 0.000 0.985 324 E CA 1.001 57.508 56.400 0.179 0.000 0.814 324 E CB -0.343 29.417 29.700 0.100 0.000 0.752 324 E HN 0.197 nan 8.360 nan 0.000 0.466 325 A N 1.283 124.146 122.820 0.072 0.000 1.877 325 A HA -0.178 4.154 4.320 0.021 0.000 0.216 325 A C 2.162 179.785 177.584 0.065 0.000 1.186 325 A CA 1.090 53.164 52.037 0.063 0.000 0.620 325 A CB -0.543 18.493 19.000 0.060 0.000 0.822 325 A HN 0.131 nan 8.150 nan 0.000 0.443 326 I N -0.328 120.296 120.570 0.090 0.000 2.226 326 I HA -0.245 3.938 4.170 0.021 0.000 0.245 326 I C 2.436 178.624 176.117 0.119 0.000 1.100 326 I CA 1.482 62.883 61.300 0.168 0.000 1.374 326 I CB -0.350 37.679 38.000 0.050 0.000 1.057 326 I HN 0.419 nan 8.210 nan 0.000 0.413 327 E N 0.697 120.915 120.200 0.031 0.000 2.204 327 E HA -0.166 4.197 4.350 0.021 0.000 0.194 327 E C 2.166 178.785 176.600 0.032 0.000 0.989 327 E CA 1.139 57.568 56.400 0.049 0.000 0.824 327 E CB -0.098 29.661 29.700 0.098 0.000 0.756 327 E HN 0.516 nan 8.360 nan 0.000 0.477 328 A N 0.228 123.048 122.820 0.001 0.000 2.169 328 A HA 0.204 4.537 4.320 0.021 0.000 0.212 328 A C 1.791 179.325 177.584 -0.083 0.000 1.153 328 A CA 0.964 52.986 52.037 -0.025 0.000 0.756 328 A CB -0.077 18.907 19.000 -0.028 0.000 0.813 328 A HN 0.331 nan 8.150 nan 0.000 0.471 329 G N -0.450 108.231 108.800 -0.198 0.000 2.141 329 G HA2 -0.178 3.795 3.960 0.021 0.000 0.231 329 G HA3 -0.178 3.795 3.960 0.021 0.000 0.231 329 G C -0.294 174.126 174.900 -0.800 0.000 0.984 329 G CA 0.202 44.917 45.100 -0.641 0.000 0.660 329 G HN 0.416 nan 8.290 nan 0.000 0.525 330 D N 1.004 121.190 120.400 -0.357 0.000 2.994 330 D HA 0.262 4.915 4.640 0.021 0.000 0.240 330 D C 0.870 177.112 176.300 -0.098 0.000 1.195 330 D CA -0.201 53.682 54.000 -0.196 0.000 0.957 330 D CB -0.731 40.056 40.800 -0.020 0.000 1.105 330 D HN 0.462 nan 8.370 nan 0.000 0.477 331 F N 1.527 121.484 119.950 0.011 0.000 2.612 331 F HA 0.050 4.590 4.527 0.021 0.000 0.389 331 F C -1.330 174.446 175.800 -0.040 0.000 1.055 331 F CA -1.868 56.132 58.000 -0.001 0.000 1.232 331 F CB -0.144 38.867 39.000 0.018 0.000 1.044 331 F HN -0.076 nan 8.300 nan 0.000 0.560 332 P HA 0.010 nan 4.420 nan 0.000 0.262 332 P C -0.989 176.258 177.300 -0.088 0.000 1.199 332 P CA 0.362 63.444 63.100 -0.030 0.000 0.763 332 P CB 0.432 32.195 31.700 0.104 0.000 0.790 333 E N 2.684 122.694 120.200 -0.317 0.000 2.210 333 E HA 0.411 4.773 4.350 0.021 0.000 0.266 333 E C -0.974 175.380 176.600 -0.410 0.000 0.883 333 E CA -0.570 55.711 56.400 -0.198 0.000 0.761 333 E CB 1.411 31.083 29.700 -0.046 0.000 1.156 333 E HN 0.402 nan 8.360 nan 0.000 0.412 334 Y N 0.376 120.747 120.300 0.118 0.000 2.477 334 Y HA 0.268 4.831 4.550 0.021 0.000 0.347 334 Y C -0.116 176.023 175.900 0.398 0.000 0.981 334 Y CA -1.016 57.231 58.100 0.244 0.000 1.033 334 Y CB 1.975 40.551 38.460 0.193 0.000 1.245 334 Y HN 0.458 nan 8.280 nan 0.000 0.455 335 E N 2.845 123.387 120.200 0.569 0.000 2.109 335 E HA 0.347 4.710 4.350 0.021 0.000 0.278 335 E C -1.442 175.436 176.600 0.463 0.000 0.954 335 E CA -0.976 55.704 56.400 0.468 0.000 0.779 335 E CB 0.926 30.831 29.700 0.341 0.000 1.093 335 E HN 0.589 nan 8.360 nan 0.000 0.401 336 L N 4.456 125.887 121.223 0.347 0.000 2.410 336 L HA 0.453 4.805 4.340 0.021 0.000 0.273 336 L C -0.041 176.793 176.870 -0.060 0.000 1.152 336 L CA 0.740 55.495 54.840 -0.141 0.000 0.855 336 L CB 0.898 42.853 42.059 -0.173 0.000 1.129 336 L HN 0.574 nan 8.230 nan 0.000 0.463 337 G N 4.635 113.420 108.800 -0.025 0.000 2.612 337 G HA2 0.539 4.512 3.960 0.021 0.000 0.298 337 G HA3 0.539 4.512 3.960 0.021 0.000 0.298 337 G C -1.596 173.490 174.900 0.309 0.000 1.336 337 G CA -0.531 44.604 45.100 0.057 0.000 0.953 337 G HN 0.466 nan 8.290 nan 0.000 0.482 338 F N 0.382 120.340 119.950 0.012 0.000 2.482 338 F HA 0.372 4.912 4.527 0.021 0.000 0.331 338 F C 0.400 176.183 175.800 -0.028 0.000 1.115 338 F CA -0.925 57.079 58.000 0.007 0.000 0.955 338 F CB 2.551 41.550 39.000 -0.003 0.000 1.136 338 F HN 0.126 nan 8.300 nan 0.000 0.452 339 Q N 3.767 123.653 119.800 0.143 0.000 2.322 339 Q HA 0.324 4.677 4.340 0.021 0.000 0.256 339 Q C -1.208 174.814 176.000 0.037 0.000 0.960 339 Q CA -0.828 55.018 55.803 0.072 0.000 0.934 339 Q CB 1.672 30.468 28.738 0.096 0.000 1.200 339 Q HN 0.344 nan 8.270 nan 0.000 0.435 340 L N 4.829 126.091 121.223 0.065 0.000 2.287 340 L HA 0.514 4.867 4.340 0.021 0.000 0.287 340 L C -0.626 176.293 176.870 0.082 0.000 1.022 340 L CA -0.168 54.704 54.840 0.054 0.000 0.814 340 L CB 1.364 43.467 42.059 0.074 0.000 1.217 340 L HN 0.560 nan 8.230 nan 0.000 0.420 341 I N 5.743 126.377 120.570 0.107 0.000 2.439 341 I HA 0.344 4.527 4.170 0.021 0.000 0.285 341 I C -2.233 173.987 176.117 0.171 0.000 1.021 341 I CA -1.957 59.453 61.300 0.182 0.000 1.091 341 I CB 2.173 40.315 38.000 0.236 0.000 1.242 341 I HN 0.361 nan 8.210 nan 0.000 0.439 342 P HA 0.013 nan 4.420 nan 0.000 0.267 342 P C 0.670 177.997 177.300 0.045 0.000 1.200 342 P CA 0.065 63.179 63.100 0.024 0.000 0.772 342 P CB 0.908 32.624 31.700 0.027 0.000 0.855 343 E N 1.629 121.750 120.200 -0.131 0.000 2.097 343 E HA -0.285 4.077 4.350 0.021 0.000 0.196 343 E C 1.030 177.682 176.600 0.087 0.000 1.000 343 E CA 1.585 57.900 56.400 -0.142 0.000 0.804 343 E CB -0.005 29.561 29.700 -0.222 0.000 0.740 343 E HN 0.449 nan 8.360 nan 0.000 0.454 344 E N 0.662 120.901 120.200 0.066 0.000 2.333 344 E HA -0.150 4.212 4.350 0.021 0.000 0.198 344 E C 0.685 177.349 176.600 0.107 0.000 1.007 344 E CA 1.134 57.590 56.400 0.092 0.000 0.845 344 E CB 0.010 29.745 29.700 0.057 0.000 0.766 344 E HN 0.274 nan 8.360 nan 0.000 0.507 345 D N 0.088 120.556 120.400 0.113 0.000 2.358 345 D HA -0.009 4.644 4.640 0.021 0.000 0.224 345 D C 1.139 177.490 176.300 0.085 0.000 1.123 345 D CA 0.045 54.093 54.000 0.079 0.000 0.833 345 D CB 0.034 40.882 40.800 0.080 0.000 0.946 345 D HN 0.316 nan 8.370 nan 0.000 0.505 346 E N -0.040 120.180 120.200 0.033 0.000 2.097 346 E HA -0.199 4.164 4.350 0.021 0.000 0.196 346 E C 0.407 176.656 176.600 -0.584 0.000 1.000 346 E CA 1.152 57.354 56.400 -0.330 0.000 0.804 346 E CB 0.018 29.379 29.700 -0.564 0.000 0.740 346 E HN 0.248 nan 8.360 nan 0.000 0.454 347 F N -0.260 119.718 119.950 0.048 0.000 2.647 347 F HA 0.265 4.804 4.527 0.021 0.000 0.300 347 F C 1.160 176.912 175.800 -0.080 0.000 1.106 347 F CA -0.397 57.602 58.000 -0.003 0.000 1.313 347 F CB 0.685 39.684 39.000 -0.001 0.000 1.007 347 F HN -0.187 nan 8.300 nan 0.000 0.536 348 K N 0.393 120.735 120.400 -0.097 0.000 2.487 348 K HA 0.133 4.465 4.320 0.021 0.000 0.192 348 K C -0.232 176.002 176.600 -0.611 0.000 1.027 348 K CA 0.390 56.464 56.287 -0.356 0.000 1.054 348 K CB -0.077 32.098 32.500 -0.541 0.000 0.824 348 K HN 0.213 nan 8.250 nan 0.000 0.510 349 F N 0.231 120.031 119.950 -0.250 0.000 2.497 349 F HA 0.187 4.726 4.527 0.021 0.000 0.331 349 F C 1.456 177.057 175.800 -0.331 0.000 1.060 349 F CA -1.012 56.736 58.000 -0.421 0.000 0.989 349 F CB 0.774 39.152 39.000 -1.035 0.000 1.245 349 F HN -0.226 nan 8.300 nan 0.000 0.486 350 D N 0.386 120.772 120.400 -0.023 0.000 2.219 350 D HA -0.066 4.587 4.640 0.021 0.000 0.205 350 D C -0.041 176.331 176.300 0.119 0.000 0.970 350 D CA 1.361 55.416 54.000 0.092 0.000 0.851 350 D CB -0.170 40.773 40.800 0.239 0.000 0.943 350 D HN 0.258 nan 8.370 nan 0.000 0.488 351 F N -0.712 119.320 119.950 0.137 0.000 2.556 351 F HA 0.455 4.994 4.527 0.021 0.000 0.327 351 F C 0.122 175.904 175.800 -0.030 0.000 1.059 351 F CA -1.626 56.377 58.000 0.005 0.000 0.953 351 F CB 0.718 39.688 39.000 -0.051 0.000 1.227 351 F HN -0.382 nan 8.300 nan 0.000 0.478 352 D N 1.887 122.305 120.400 0.029 0.000 2.390 352 D HA 0.115 4.767 4.640 0.021 0.000 0.249 352 D C 1.004 177.250 176.300 -0.090 0.000 1.144 352 D CA 0.104 54.065 54.000 -0.065 0.000 0.880 352 D CB 1.319 42.078 40.800 -0.067 0.000 1.182 352 D HN 0.758 nan 8.370 nan 0.000 0.451 353 L N 3.436 124.538 121.223 -0.202 0.000 2.275 353 L HA -0.114 4.238 4.340 0.021 0.000 0.215 353 L C 1.979 178.705 176.870 -0.240 0.000 1.119 353 L CA 0.629 55.317 54.840 -0.253 0.000 0.790 353 L CB -0.044 41.727 42.059 -0.480 0.000 0.919 353 L HN 0.443 nan 8.230 nan 0.000 0.443 354 L N -1.094 120.016 121.223 -0.189 0.000 2.591 354 L HA 0.070 4.423 4.340 0.021 0.000 0.228 354 L C 0.396 177.203 176.870 -0.106 0.000 1.133 354 L CA -0.151 54.643 54.840 -0.075 0.000 0.880 354 L CB -0.228 41.886 42.059 0.092 0.000 1.033 354 L HN 0.078 nan 8.230 nan 0.000 0.450 355 D N 1.843 121.944 120.400 -0.498 0.000 2.339 355 D HA 0.115 4.768 4.640 0.021 0.000 0.241 355 D C -1.557 174.517 176.300 -0.377 0.000 1.183 355 D CA -2.244 51.232 54.000 -0.874 0.000 0.859 355 D CB 1.616 41.637 40.800 -1.300 0.000 1.067 355 D HN -0.071 nan 8.370 nan 0.000 0.484 356 P HA -0.047 nan 4.420 nan 0.000 0.237 356 P C 0.851 178.043 177.300 -0.181 0.000 1.178 356 P CA 0.633 63.645 63.100 -0.146 0.000 0.766 356 P CB -0.004 31.688 31.700 -0.014 0.000 0.876 357 T N -4.396 110.044 114.554 -0.190 0.000 3.107 357 T HA 0.153 4.515 4.350 0.021 0.000 0.249 357 T C 0.711 175.301 174.700 -0.184 0.000 1.096 357 T CA -0.085 61.917 62.100 -0.163 0.000 1.012 357 T CB -0.198 68.622 68.868 -0.080 0.000 0.977 357 T HN -0.137 nan 8.240 nan 0.000 0.527 358 K N 2.207 122.397 120.400 -0.350 0.000 2.292 358 K HA 0.550 4.882 4.320 0.021 0.000 0.257 358 K C -0.349 176.025 176.600 -0.376 0.000 0.940 358 K CA -0.855 55.074 56.287 -0.596 0.000 0.811 358 K CB 2.214 34.221 32.500 -0.821 0.000 1.120 358 K HN 0.306 nan 8.250 nan 0.000 0.428 359 L N -0.131 121.024 121.223 -0.113 0.000 2.416 359 L HA 0.633 4.986 4.340 0.021 0.000 0.262 359 L C -0.007 176.682 176.870 -0.302 0.000 1.093 359 L CA -0.373 54.377 54.840 -0.150 0.000 0.801 359 L CB 0.338 42.395 42.059 -0.005 0.000 1.191 359 L HN 0.451 nan 8.230 nan 0.000 0.459 360 I N 1.777 122.263 120.570 -0.141 0.000 2.330 360 I HA 0.356 4.539 4.170 0.021 0.000 0.286 360 I C -2.123 174.028 176.117 0.056 0.000 1.025 360 I CA -1.756 59.524 61.300 -0.033 0.000 1.197 360 I CB 1.131 39.129 38.000 -0.004 0.000 1.358 360 I HN 0.464 nan 8.210 nan 0.000 0.467 361 P HA 0.030 nan 4.420 nan 0.000 0.264 361 P C 0.293 177.668 177.300 0.125 0.000 1.193 361 P CA 0.118 63.276 63.100 0.096 0.000 0.763 361 P CB 0.602 32.351 31.700 0.082 0.000 0.810 362 E N 1.760 122.037 120.200 0.127 0.000 2.268 362 E HA -0.173 4.189 4.350 0.021 0.000 0.195 362 E C 1.305 177.960 176.600 0.092 0.000 0.995 362 E CA 0.724 57.186 56.400 0.102 0.000 0.836 362 E CB -0.004 29.754 29.700 0.096 0.000 0.763 362 E HN 0.516 nan 8.360 nan 0.000 0.491 363 E N 0.330 120.586 120.200 0.093 0.000 2.268 363 E HA -0.115 4.248 4.350 0.021 0.000 0.195 363 E C 1.995 178.659 176.600 0.106 0.000 0.995 363 E CA 0.658 57.108 56.400 0.084 0.000 0.836 363 E CB 0.150 29.892 29.700 0.070 0.000 0.763 363 E HN 0.378 nan 8.360 nan 0.000 0.491 364 L N -0.375 120.937 121.223 0.147 0.000 2.200 364 L HA 0.068 4.421 4.340 0.021 0.000 0.200 364 L C 0.676 177.667 176.870 0.201 0.000 1.072 364 L CA 0.470 55.434 54.840 0.206 0.000 0.787 364 L CB 0.401 42.663 42.059 0.339 0.000 0.957 364 L HN -0.203 nan 8.230 nan 0.000 0.459 365 V N 1.160 121.175 119.914 0.169 0.000 2.398 365 V HA 0.316 4.448 4.120 0.021 0.000 0.282 365 V C -2.423 173.720 176.094 0.081 0.000 1.014 365 V CA -1.511 60.870 62.300 0.136 0.000 0.838 365 V CB 1.336 33.241 31.823 0.136 0.000 1.018 365 V HN -0.039 nan 8.190 nan 0.000 0.432 366 P HA 0.147 nan 4.420 nan 0.000 0.269 366 P C -0.242 177.055 177.300 -0.004 0.000 1.215 366 P CA 0.026 63.145 63.100 0.031 0.000 0.780 366 P CB 0.791 32.513 31.700 0.036 0.000 0.898 367 V N 3.694 123.571 119.914 -0.060 0.000 2.488 367 V HA 0.079 4.212 4.120 0.021 0.000 0.277 367 V C 0.681 176.766 176.094 -0.015 0.000 1.046 367 V CA 0.076 62.308 62.300 -0.113 0.000 0.986 367 V CB 0.028 31.696 31.823 -0.259 0.000 0.989 367 V HN 0.464 nan 8.190 nan 0.000 0.475 368 Q N 4.832 124.648 119.800 0.026 0.000 2.278 368 Q HA 0.428 4.781 4.340 0.021 0.000 0.257 368 Q C -0.337 175.670 176.000 0.012 0.000 0.928 368 Q CA -0.588 55.233 55.803 0.031 0.000 0.932 368 Q CB 1.630 30.396 28.738 0.048 0.000 1.221 368 Q HN 0.613 nan 8.270 nan 0.000 0.434 369 R N 1.402 121.931 120.500 0.048 0.000 2.449 369 R HA 0.043 4.396 4.340 0.021 0.000 0.296 369 R C 0.346 176.700 176.300 0.090 0.000 1.047 369 R CA -0.064 56.109 56.100 0.123 0.000 1.018 369 R CB 0.452 30.880 30.300 0.214 0.000 0.962 369 R HN 0.444 nan 8.270 nan 0.000 0.428 370 V N 1.341 121.218 119.914 -0.062 0.000 3.090 370 V HA 0.315 4.447 4.120 0.021 0.000 0.237 370 V C 0.833 176.689 176.094 -0.397 0.000 1.209 370 V CA 1.021 63.157 62.300 -0.274 0.000 1.209 370 V CB 0.912 32.323 31.823 -0.687 0.000 0.971 370 V HN 1.001 nan 8.190 nan 0.000 0.477 371 G N -0.342 108.132 108.800 -0.544 0.000 2.495 371 G HA2 0.515 4.488 3.960 0.021 0.000 0.294 371 G HA3 0.515 4.488 3.960 0.021 0.000 0.294 371 G C -1.866 172.704 174.900 -0.551 0.000 1.397 371 G CA -0.554 43.978 45.100 -0.947 0.000 0.790 371 G HN 0.047 nan 8.290 nan 0.000 0.486 372 K N -0.300 119.793 120.400 -0.512 0.000 2.324 372 K HA 0.713 5.045 4.320 0.021 0.000 0.253 372 K C -0.842 175.816 176.600 0.097 0.000 0.932 372 K CA -0.775 55.494 56.287 -0.030 0.000 0.799 372 K CB 1.974 34.490 32.500 0.028 0.000 1.154 372 K HN 0.559 nan 8.250 nan 0.000 0.425 373 M N 4.866 124.652 119.600 0.310 0.000 2.227 373 M HA 0.373 4.866 4.480 0.021 0.000 0.335 373 M C -1.716 174.578 176.300 -0.011 0.000 1.053 373 M CA -0.742 54.680 55.300 0.203 0.000 0.973 373 M CB 1.560 34.293 32.600 0.221 0.000 1.623 373 M HN 0.333 nan 8.290 nan 0.000 0.434 374 V N 5.929 125.668 119.914 -0.292 0.000 2.448 374 V HA 0.427 4.559 4.120 0.021 0.000 0.295 374 V C -0.855 175.119 176.094 -0.200 0.000 1.025 374 V CA -0.807 61.334 62.300 -0.266 0.000 0.859 374 V CB 1.609 33.164 31.823 -0.447 0.000 0.988 374 V HN 0.674 nan 8.190 nan 0.000 0.431 375 L N 6.020 127.208 121.223 -0.058 0.000 2.270 375 L HA 0.461 4.814 4.340 0.021 0.000 0.286 375 L C 0.759 177.532 176.870 -0.163 0.000 1.059 375 L CA 0.180 54.983 54.840 -0.061 0.000 0.839 375 L CB 0.812 42.893 42.059 0.037 0.000 1.221 375 L HN 0.851 nan 8.230 nan 0.000 0.431 376 N N 2.320 120.815 118.700 -0.342 0.000 2.197 376 N HA 0.163 4.915 4.740 0.021 0.000 0.228 376 N C 0.057 175.357 175.510 -0.349 0.000 1.212 376 N CA -0.260 52.305 53.050 -0.809 0.000 0.883 376 N CB 0.678 38.333 38.487 -1.387 0.000 1.107 376 N HN 0.373 nan 8.380 nan 0.000 0.519 377 R N 0.096 120.511 120.500 -0.141 0.000 2.566 377 R HA 0.315 4.668 4.340 0.021 0.000 0.271 377 R C -1.287 174.966 176.300 -0.079 0.000 1.071 377 R CA -0.570 55.473 56.100 -0.094 0.000 0.915 377 R CB 1.330 31.581 30.300 -0.082 0.000 1.228 377 R HN 0.064 nan 8.270 nan 0.000 0.449 378 N N 2.851 121.390 118.700 -0.267 0.000 2.445 378 N HA 0.336 5.089 4.740 0.021 0.000 0.264 378 N C -2.326 173.142 175.510 -0.070 0.000 1.227 378 N CA -1.355 51.414 53.050 -0.468 0.000 0.963 378 N CB 0.604 38.136 38.487 -1.591 0.000 1.188 378 N HN 0.317 nan 8.380 nan 0.000 0.491 379 P HA 0.069 nan 4.420 nan 0.000 0.271 379 P C 0.170 177.663 177.300 0.322 0.000 1.244 379 P CA -0.006 63.301 63.100 0.345 0.000 0.793 379 P CB 0.974 32.918 31.700 0.407 0.000 0.984 380 D N -1.023 119.537 120.400 0.268 0.000 2.269 380 D HA -0.018 4.634 4.640 0.021 0.000 0.220 380 D C 0.419 176.892 176.300 0.288 0.000 0.962 380 D CA 1.317 55.464 54.000 0.244 0.000 0.884 380 D CB 0.165 41.050 40.800 0.141 0.000 1.023 380 D HN 0.381 nan 8.370 nan 0.000 0.484 381 N N -0.102 118.759 118.700 0.269 0.000 2.504 381 N HA 0.014 4.766 4.740 0.021 0.000 0.280 381 N C 0.092 175.805 175.510 0.338 0.000 1.052 381 N CA -0.314 52.906 53.050 0.282 0.000 0.887 381 N CB 1.429 40.048 38.487 0.220 0.000 1.323 381 N HN -0.158 nan 8.380 nan 0.000 0.509 382 F N 4.201 124.297 119.950 0.244 0.000 2.091 382 F HA -0.208 4.331 4.527 0.020 0.000 0.299 382 F C 1.664 177.593 175.800 0.214 0.000 1.103 382 F CA 1.636 59.781 58.000 0.242 0.000 1.228 382 F CB -0.103 39.016 39.000 0.198 0.000 0.984 382 F HN 0.605 nan 8.300 nan 0.000 0.477 383 F N 0.714 120.886 119.950 0.369 0.000 2.051 383 F HA -0.146 4.394 4.527 0.022 0.000 0.296 383 F C 2.375 178.228 175.800 0.087 0.000 1.122 383 F CA 1.811 59.948 58.000 0.229 0.000 1.201 383 F CB -1.022 38.091 39.000 0.188 0.000 0.978 383 F HN -0.005 nan 8.300 nan 0.000 0.472 384 A N -0.138 122.825 122.820 0.239 0.000 1.883 384 A HA -0.231 4.101 4.320 0.021 0.000 0.217 384 A C 2.081 179.595 177.584 -0.117 0.000 1.186 384 A CA 2.252 54.328 52.037 0.064 0.000 0.624 384 A CB -0.824 18.262 19.000 0.143 0.000 0.822 384 A HN 0.625 nan 8.150 nan 0.000 0.444 385 E N -1.445 118.699 120.200 -0.093 0.000 2.099 385 E HA -0.073 4.289 4.350 0.021 0.000 0.191 385 E C 2.045 178.527 176.600 -0.197 0.000 0.962 385 E CA 0.537 56.813 56.400 -0.206 0.000 0.826 385 E CB -0.158 29.480 29.700 -0.104 0.000 0.788 385 E HN 0.596 nan 8.360 nan 0.000 0.461 386 N N 1.384 119.981 118.700 -0.173 0.000 2.178 386 N HA -0.167 4.586 4.740 0.021 0.000 0.189 386 N C 1.845 177.177 175.510 -0.297 0.000 1.048 386 N CA 1.405 54.296 53.050 -0.265 0.000 0.855 386 N CB -0.043 37.902 38.487 -0.903 0.000 1.028 386 N HN -0.080 nan 8.380 nan 0.000 0.441 387 E N 0.744 120.711 120.200 -0.387 0.000 2.130 387 E HA -0.141 4.221 4.350 0.021 0.000 0.196 387 E C 1.625 178.023 176.600 -0.337 0.000 0.998 387 E CA 1.573 57.810 56.400 -0.273 0.000 0.806 387 E CB -0.172 29.383 29.700 -0.242 0.000 0.738 387 E HN 0.544 nan 8.360 nan 0.000 0.459 388 Q N -0.368 119.168 119.800 -0.441 0.000 2.403 388 Q HA 0.268 4.621 4.340 0.021 0.000 0.203 388 Q C 0.021 175.887 176.000 -0.224 0.000 0.932 388 Q CA 0.202 55.798 55.803 -0.345 0.000 0.945 388 Q CB 0.550 29.071 28.738 -0.362 0.000 1.045 388 Q HN 0.203 nan 8.270 nan 0.000 0.511 389 A N 1.294 123.997 122.820 -0.195 0.000 2.462 389 A HA 0.479 4.811 4.320 0.021 0.000 0.243 389 A C -0.127 177.330 177.584 -0.213 0.000 1.076 389 A CA 0.082 51.980 52.037 -0.232 0.000 0.773 389 A CB 0.272 19.183 19.000 -0.148 0.000 1.010 389 A HN 0.283 nan 8.150 nan 0.000 0.493 390 A N 2.422 125.075 122.820 -0.279 0.000 2.311 390 A HA 0.705 5.038 4.320 0.021 0.000 0.306 390 A C -0.712 176.761 177.584 -0.184 0.000 1.189 390 A CA -0.432 51.513 52.037 -0.154 0.000 0.791 390 A CB 0.253 19.164 19.000 -0.149 0.000 1.172 390 A HN 0.645 nan 8.150 nan 0.000 0.481 391 F N 0.946 120.908 119.950 0.020 0.000 2.470 391 F HA 0.672 5.211 4.527 0.021 0.000 0.329 391 F C 0.385 176.197 175.800 0.019 0.000 1.072 391 F CA -0.113 57.883 58.000 -0.005 0.000 0.989 391 F CB 1.886 40.826 39.000 -0.100 0.000 1.193 391 F HN 0.754 nan 8.300 nan 0.000 0.481 392 H N 2.689 121.649 119.070 -0.184 0.000 3.137 392 H HA 0.259 4.828 4.556 0.022 0.000 0.336 392 H C -2.523 172.431 175.328 -0.622 0.000 1.055 392 H CA -1.718 53.962 56.048 -0.614 0.000 1.349 392 H CB 2.586 31.865 29.762 -0.804 0.000 1.939 392 H HN 0.173 nan 8.280 nan 0.000 0.487 393 P HA 0.008 nan 4.420 nan 0.000 0.226 393 P C 1.163 178.256 177.300 -0.345 0.000 1.153 393 P CA 1.337 64.094 63.100 -0.572 0.000 0.777 393 P CB 0.153 31.579 31.700 -0.456 0.000 0.794 394 G N -0.998 107.282 108.800 -0.866 0.000 2.534 394 G HA2 -0.146 3.827 3.960 0.021 0.000 0.217 394 G HA3 -0.146 3.827 3.960 0.021 0.000 0.217 394 G C 0.486 175.537 174.900 0.252 0.000 1.128 394 G CA -0.010 45.005 45.100 -0.142 0.000 0.784 394 G HN 0.422 nan 8.290 nan 0.000 0.542 395 H N 0.890 120.030 119.070 0.116 0.000 3.356 395 H HA 0.315 4.883 4.556 0.021 0.000 0.260 395 H C 0.550 175.960 175.328 0.137 0.000 1.570 395 H CA -0.709 55.409 56.048 0.117 0.000 1.547 395 H CB -0.213 29.594 29.762 0.075 0.000 1.774 395 H HN 0.386 nan 8.280 nan 0.000 0.542 396 I N -0.486 120.195 120.570 0.185 0.000 3.100 396 I HA 0.684 4.867 4.170 0.021 0.000 0.312 396 I C -0.171 175.933 176.117 -0.021 0.000 1.063 396 I CA -1.436 59.916 61.300 0.087 0.000 1.031 396 I CB 1.940 39.873 38.000 -0.112 0.000 1.243 396 I HN 0.102 nan 8.210 nan 0.000 0.483 397 V N -2.057 117.836 119.914 -0.035 0.000 3.040 397 V HA 0.668 4.801 4.120 0.021 0.000 0.312 397 V C -2.814 173.389 176.094 0.182 0.000 1.115 397 V CA -2.589 59.749 62.300 0.062 0.000 0.998 397 V CB 0.982 32.830 31.823 0.041 0.000 1.042 397 V HN 0.638 nan 8.190 nan 0.000 0.433 398 P HA 0.302 nan 4.420 nan 0.000 0.261 398 P C 0.948 178.261 177.300 0.021 0.000 1.173 398 P CA 2.018 65.211 63.100 0.155 0.000 0.760 398 P CB 0.471 32.228 31.700 0.095 0.000 0.783 399 G N 1.787 110.553 108.800 -0.057 0.000 2.238 399 G HA2 -0.161 3.812 3.960 0.021 0.000 0.217 399 G HA3 -0.161 3.812 3.960 0.021 0.000 0.217 399 G C -0.263 174.567 174.900 -0.116 0.000 0.996 399 G CA -0.410 44.635 45.100 -0.092 0.000 0.632 399 G HN 0.460 nan 8.290 nan 0.000 0.503 400 L N 0.216 121.388 121.223 -0.085 0.000 2.323 400 L HA 0.908 5.261 4.340 0.021 0.000 0.265 400 L C -0.526 176.314 176.870 -0.051 0.000 1.012 400 L CA -1.048 53.722 54.840 -0.117 0.000 0.820 400 L CB 2.070 43.980 42.059 -0.247 0.000 1.334 400 L HN 0.097 nan 8.230 nan 0.000 0.427 401 D N -0.578 119.782 120.400 -0.067 0.000 2.665 401 D HA 0.450 5.102 4.640 0.021 0.000 0.287 401 D C -1.213 175.055 176.300 -0.053 0.000 1.266 401 D CA -0.361 53.568 54.000 -0.119 0.000 0.830 401 D CB 2.021 42.816 40.800 -0.007 0.000 1.356 401 D HN 0.105 nan 8.370 nan 0.000 0.437 402 F N -0.142 119.941 119.950 0.221 0.000 2.348 402 F HA 0.490 5.030 4.527 0.021 0.000 0.308 402 F C 1.520 177.344 175.800 0.040 0.000 1.175 402 F CA -0.252 57.798 58.000 0.083 0.000 1.080 402 F CB 1.059 40.078 39.000 0.031 0.000 1.341 402 F HN 0.189 nan 8.300 nan 0.000 0.518 403 T N -3.200 111.446 114.554 0.153 0.000 2.742 403 T HA 0.320 4.682 4.350 0.021 0.000 0.282 403 T C -0.078 174.651 174.700 0.050 0.000 1.025 403 T CA -0.963 61.201 62.100 0.108 0.000 1.020 403 T CB 1.206 70.102 68.868 0.046 0.000 1.317 403 T HN 0.336 nan 8.240 nan 0.000 0.538 404 N N 1.044 119.776 118.700 0.053 0.000 2.383 404 N HA 0.089 4.841 4.740 0.021 0.000 0.192 404 N C -0.021 175.497 175.510 0.013 0.000 1.141 404 N CA 0.001 53.069 53.050 0.030 0.000 0.851 404 N CB -0.402 38.119 38.487 0.057 0.000 0.976 404 N HN 0.688 nan 8.380 nan 0.000 0.465 405 D N 2.165 122.561 120.400 -0.006 0.000 2.662 405 D HA -0.077 4.576 4.640 0.021 0.000 0.237 405 D C -1.380 174.926 176.300 0.010 0.000 1.154 405 D CA -0.919 53.107 54.000 0.043 0.000 0.861 405 D CB 1.291 42.075 40.800 -0.027 0.000 1.146 405 D HN 0.139 nan 8.370 nan 0.000 0.518 406 P HA -0.121 nan 4.420 nan 0.000 0.223 406 P C 1.557 178.876 177.300 0.031 0.000 1.151 406 P CA 0.228 63.346 63.100 0.030 0.000 0.787 406 P CB 0.364 32.073 31.700 0.016 0.000 0.788 407 L N -0.266 121.001 121.223 0.074 0.000 2.049 407 L HA -0.015 4.337 4.340 0.021 0.000 0.203 407 L C 2.377 179.178 176.870 -0.113 0.000 1.074 407 L CA 1.378 56.257 54.840 0.064 0.000 0.749 407 L CB -1.689 40.490 42.059 0.199 0.000 0.907 407 L HN -0.179 nan 8.230 nan 0.000 0.439 408 L N -0.295 120.710 121.223 -0.363 0.000 2.013 408 L HA -0.259 4.094 4.340 0.021 0.000 0.212 408 L C 2.498 179.110 176.870 -0.430 0.000 1.073 408 L CA 1.860 56.240 54.840 -0.767 0.000 0.753 408 L CB -1.008 40.383 42.059 -1.115 0.000 0.890 408 L HN 0.406 nan 8.230 nan 0.000 0.432 409 Q N -0.112 119.514 119.800 -0.289 0.000 2.062 409 Q HA -0.210 4.143 4.340 0.021 0.000 0.209 409 Q C 2.125 178.038 176.000 -0.145 0.000 0.996 409 Q CA 2.064 57.739 55.803 -0.215 0.000 0.859 409 Q CB -1.028 27.638 28.738 -0.121 0.000 0.920 409 Q HN 0.716 nan 8.270 nan 0.000 0.415 410 G N 0.419 109.170 108.800 -0.081 0.000 2.421 410 G HA2 -0.222 3.750 3.960 0.021 0.000 0.217 410 G HA3 -0.222 3.750 3.960 0.021 0.000 0.217 410 G C 1.516 176.441 174.900 0.041 0.000 1.143 410 G CA 0.338 45.438 45.100 -0.000 0.000 0.784 410 G HN 0.261 nan 8.290 nan 0.000 0.541 411 R N -0.051 120.424 120.500 -0.042 0.000 2.117 411 R HA -0.023 4.329 4.340 0.021 0.000 0.243 411 R C 2.515 178.891 176.300 0.126 0.000 1.143 411 R CA 1.044 57.175 56.100 0.050 0.000 0.968 411 R CB -0.527 29.727 30.300 -0.076 0.000 0.863 411 R HN 0.354 nan 8.270 nan 0.000 0.444 412 L N -0.373 120.811 121.223 -0.066 0.000 2.127 412 L HA -0.205 4.147 4.340 0.021 0.000 0.211 412 L C 2.308 179.308 176.870 0.217 0.000 1.089 412 L CA 1.161 55.984 54.840 -0.028 0.000 0.757 412 L CB -0.490 41.395 42.059 -0.289 0.000 0.899 412 L HN 0.166 nan 8.230 nan 0.000 0.434 413 F N 0.139 120.123 119.950 0.056 0.000 2.128 413 F HA -0.181 4.359 4.527 0.021 0.000 0.295 413 F C 2.789 178.632 175.800 0.072 0.000 1.100 413 F CA 1.569 59.601 58.000 0.054 0.000 1.260 413 F CB -0.220 38.793 39.000 0.021 0.000 1.009 413 F HN -0.063 nan 8.300 nan 0.000 0.476 414 S N -0.520 115.239 115.700 0.098 0.000 2.356 414 S HA -0.239 4.243 4.470 0.021 0.000 0.223 414 S C 2.049 176.548 174.600 -0.168 0.000 1.032 414 S CA 1.680 59.840 58.200 -0.066 0.000 1.005 414 S CB -0.844 62.342 63.200 -0.023 0.000 0.867 414 S HN 0.563 nan 8.310 nan 0.000 0.449 415 Y N 1.395 121.658 120.300 -0.062 0.000 2.352 415 Y HA -0.051 4.512 4.550 0.021 0.000 0.292 415 Y C 2.869 178.445 175.900 -0.540 0.000 1.136 415 Y CA 1.263 59.290 58.100 -0.123 0.000 1.227 415 Y CB -0.566 38.258 38.460 0.607 0.000 0.991 415 Y HN 0.291 nan 8.280 nan 0.000 0.545 416 T N -0.940 113.278 114.554 -0.561 0.000 2.894 416 T HA -0.150 4.213 4.350 0.021 0.000 0.258 416 T C 1.368 175.880 174.700 -0.313 0.000 1.043 416 T CA 1.338 63.197 62.100 -0.401 0.000 1.141 416 T CB -0.369 68.338 68.868 -0.270 0.000 0.873 416 T HN 0.329 nan 8.240 nan 0.000 0.449 417 D N 1.106 121.266 120.400 -0.400 0.000 2.106 417 D HA -0.154 4.499 4.640 0.021 0.000 0.191 417 D C 2.269 178.422 176.300 -0.244 0.000 0.997 417 D CA 1.818 55.596 54.000 -0.370 0.000 0.834 417 D CB -0.551 39.863 40.800 -0.644 0.000 0.956 417 D HN 0.231 nan 8.370 nan 0.000 0.448 418 T N -1.249 113.154 114.554 -0.252 0.000 2.803 418 T HA -0.190 4.173 4.350 0.021 0.000 0.269 418 T C 1.646 176.222 174.700 -0.207 0.000 1.052 418 T CA 1.576 63.560 62.100 -0.192 0.000 1.136 418 T CB -0.243 68.504 68.868 -0.201 0.000 0.864 418 T HN 0.172 nan 8.240 nan 0.000 0.467 419 Q N 0.032 119.633 119.800 -0.332 0.000 2.482 419 Q HA 0.204 4.557 4.340 0.021 0.000 0.209 419 Q C 1.947 177.831 176.000 -0.193 0.000 0.961 419 Q CA 0.276 55.845 55.803 -0.391 0.000 0.945 419 Q CB -0.026 28.186 28.738 -0.877 0.000 1.012 419 Q HN 0.472 nan 8.270 nan 0.000 0.515 420 I N -0.015 120.496 120.570 -0.098 0.000 2.361 420 I HA -0.223 3.959 4.170 0.021 0.000 0.251 420 I C 2.029 178.154 176.117 0.013 0.000 1.133 420 I CA 1.605 62.912 61.300 0.012 0.000 1.413 420 I CB -1.162 36.848 38.000 0.016 0.000 1.073 420 I HN 0.265 nan 8.210 nan 0.000 0.424 421 S N 0.217 115.906 115.700 -0.018 0.000 2.452 421 S HA -0.024 4.458 4.470 0.021 0.000 0.225 421 S C 2.160 176.761 174.600 0.002 0.000 1.057 421 S CA -0.038 58.165 58.200 0.004 0.000 0.949 421 S CB -0.273 62.928 63.200 0.003 0.000 0.836 421 S HN 0.246 nan 8.310 nan 0.000 0.518 422 R N 1.019 121.497 120.500 -0.037 0.000 2.083 422 R HA 0.102 4.454 4.340 0.021 0.000 0.237 422 R C 1.159 177.446 176.300 -0.022 0.000 1.137 422 R CA 1.657 57.735 56.100 -0.036 0.000 0.951 422 R CB -0.338 29.915 30.300 -0.079 0.000 0.851 422 R HN 0.468 nan 8.270 nan 0.000 0.434 423 L N -0.560 120.640 121.223 -0.038 0.000 2.872 423 L HA 0.330 4.683 4.340 0.021 0.000 0.245 423 L C 0.868 177.795 176.870 0.094 0.000 1.211 423 L CA 0.218 55.058 54.840 0.001 0.000 1.013 423 L CB 0.991 43.035 42.059 -0.027 0.000 1.326 423 L HN 0.559 nan 8.230 nan 0.000 0.525 424 G N 0.037 108.910 108.800 0.122 0.000 2.189 424 G HA2 -0.175 3.798 3.960 0.021 0.000 0.267 424 G HA3 -0.175 3.798 3.960 0.021 0.000 0.267 424 G C 0.483 175.506 174.900 0.206 0.000 0.975 424 G CA 0.191 45.417 45.100 0.211 0.000 0.644 424 G HN 0.808 nan 8.290 nan 0.000 0.537 425 G N -1.866 107.054 108.800 0.200 0.000 2.327 425 G HA2 0.610 4.583 3.960 0.021 0.000 0.291 425 G HA3 0.610 4.583 3.960 0.021 0.000 0.291 425 G C -2.292 172.784 174.900 0.294 0.000 1.290 425 G CA 0.386 45.600 45.100 0.191 0.000 0.857 425 G HN 0.391 nan 8.290 nan 0.000 0.520 426 P HA 0.124 nan 4.420 nan 0.000 0.255 426 P C 0.312 177.643 177.300 0.052 0.000 1.248 426 P CA 0.334 63.551 63.100 0.194 0.000 0.807 426 P CB 0.258 32.025 31.700 0.112 0.000 1.150 427 N N 0.397 119.125 118.700 0.047 0.000 2.322 427 N HA 0.048 4.800 4.740 0.021 0.000 0.216 427 N C 1.102 176.433 175.510 -0.298 0.000 1.144 427 N CA -0.093 52.858 53.050 -0.166 0.000 0.830 427 N CB -0.603 37.833 38.487 -0.085 0.000 1.034 427 N HN 0.277 nan 8.380 nan 0.000 0.484 428 F N 0.936 120.852 119.950 -0.057 0.000 2.333 428 F HA -0.071 4.468 4.527 0.019 0.000 0.300 428 F C 2.173 177.893 175.800 -0.133 0.000 1.083 428 F CA 0.785 58.733 58.000 -0.088 0.000 1.395 428 F CB -0.754 38.226 39.000 -0.035 0.000 1.056 428 F HN 0.163 nan 8.300 nan 0.000 0.529 429 H N 0.189 118.920 119.070 -0.565 0.000 2.547 429 H HA 0.117 4.685 4.556 0.022 0.000 0.272 429 H C 0.848 176.013 175.328 -0.271 0.000 0.989 429 H CA 1.153 56.946 56.048 -0.425 0.000 1.214 429 H CB -0.726 28.640 29.762 -0.661 0.000 1.389 429 H HN 0.515 nan 8.280 nan 0.000 0.577 430 E N 1.032 120.806 120.200 -0.711 0.000 2.478 430 E HA 0.171 4.534 4.350 0.021 0.000 0.194 430 E C 0.297 176.773 176.600 -0.206 0.000 1.045 430 E CA -0.236 55.922 56.400 -0.403 0.000 0.868 430 E CB 0.488 29.965 29.700 -0.373 0.000 0.885 430 E HN 0.446 nan 8.360 nan 0.000 0.505 431 I N 2.653 123.120 120.570 -0.171 0.000 2.533 431 I HA -0.028 4.154 4.170 0.021 0.000 0.284 431 I C -1.532 174.517 176.117 -0.113 0.000 1.109 431 I CA -1.683 59.547 61.300 -0.117 0.000 1.412 431 I CB 0.585 38.528 38.000 -0.095 0.000 1.396 431 I HN -0.192 nan 8.210 nan 0.000 0.543 432 P HA -0.276 nan 4.420 nan 0.000 0.218 432 P C 1.748 178.970 177.300 -0.130 0.000 1.165 432 P CA 1.463 64.501 63.100 -0.104 0.000 0.922 432 P CB 0.166 31.812 31.700 -0.089 0.000 0.794 433 I N -0.842 119.622 120.570 -0.177 0.000 2.335 433 I HA -0.233 3.950 4.170 0.021 0.000 0.251 433 I C 1.479 177.515 176.117 -0.135 0.000 1.129 433 I CA 1.769 62.915 61.300 -0.256 0.000 1.402 433 I CB -0.631 37.097 38.000 -0.453 0.000 1.069 433 I HN -0.096 nan 8.210 nan 0.000 0.424 434 N N 0.620 119.254 118.700 -0.109 0.000 2.446 434 N HA 0.010 4.763 4.740 0.021 0.000 0.179 434 N C 0.296 175.801 175.510 -0.008 0.000 1.054 434 N CA 0.269 53.281 53.050 -0.063 0.000 0.905 434 N CB -0.172 38.295 38.487 -0.034 0.000 0.973 434 N HN 0.384 nan 8.380 nan 0.000 0.448 435 R N 1.625 122.117 120.500 -0.013 0.000 2.570 435 R HA 0.130 4.482 4.340 0.021 0.000 0.277 435 R C -2.232 174.112 176.300 0.074 0.000 1.039 435 R CA -1.156 54.938 56.100 -0.011 0.000 1.065 435 R CB -0.213 30.070 30.300 -0.028 0.000 0.964 435 R HN 0.043 nan 8.270 nan 0.000 0.428 436 P HA -0.025 nan 4.420 nan 0.000 0.269 436 P C 0.580 177.938 177.300 0.097 0.000 1.215 436 P CA 0.022 63.173 63.100 0.086 0.000 0.780 436 P CB 0.702 32.412 31.700 0.016 0.000 0.898 437 T N -2.198 112.429 114.554 0.121 0.000 3.054 437 T HA 0.022 4.385 4.350 0.021 0.000 0.259 437 T C 0.971 175.708 174.700 0.062 0.000 1.092 437 T CA 0.141 62.273 62.100 0.054 0.000 1.121 437 T CB -0.971 67.916 68.868 0.031 0.000 0.912 437 T HN 0.593 nan 8.240 nan 0.000 0.489 438 C N 1.593 120.944 119.300 0.085 0.000 2.403 438 C HA 0.736 5.208 4.460 0.021 0.000 0.361 438 C C -2.376 172.666 174.990 0.088 0.000 1.274 438 C CA -2.484 56.583 59.018 0.082 0.000 2.433 438 C CB -0.067 27.727 27.740 0.090 0.000 2.323 438 C HN 0.193 nan 8.230 nan 0.000 0.614 439 P HA 0.296 nan 4.420 nan 0.000 0.269 439 P C -1.213 176.153 177.300 0.110 0.000 1.209 439 P CA 0.456 63.614 63.100 0.096 0.000 0.776 439 P CB -0.033 31.764 31.700 0.163 0.000 0.876 440 Y N 0.398 120.571 120.300 -0.210 0.000 2.362 440 Y HA 0.625 5.187 4.550 0.020 0.000 0.326 440 Y C -1.600 173.976 175.900 -0.540 0.000 1.083 440 Y CA -0.869 57.092 58.100 -0.232 0.000 1.073 440 Y CB 1.169 39.525 38.460 -0.172 0.000 1.211 440 Y HN 0.434 nan 8.280 nan 0.000 0.433 441 H N 3.909 122.875 119.070 -0.172 0.000 2.856 441 H HA 0.582 5.150 4.556 0.021 0.000 0.355 441 H C -1.164 174.040 175.328 -0.206 0.000 1.079 441 H CA -0.755 55.115 56.048 -0.297 0.000 1.240 441 H CB 1.737 31.359 29.762 -0.234 0.000 1.701 441 H HN 0.885 nan 8.280 nan 0.000 0.527 442 N N 0.372 118.955 118.700 -0.195 0.000 3.378 442 N HA 0.193 4.945 4.740 0.021 0.000 0.294 442 N C -1.236 174.032 175.510 -0.403 0.000 1.544 442 N CA -0.926 51.982 53.050 -0.236 0.000 0.872 442 N CB 0.734 39.231 38.487 0.018 0.000 1.670 442 N HN 0.296 nan 8.380 nan 0.000 0.551 443 F N -0.358 119.630 119.950 0.065 0.000 2.647 443 F HA 0.354 4.893 4.527 0.020 0.000 0.300 443 F C 0.279 176.120 175.800 0.069 0.000 1.106 443 F CA -0.373 57.662 58.000 0.059 0.000 1.313 443 F CB 0.173 39.206 39.000 0.054 0.000 1.007 443 F HN 0.138 nan 8.300 nan 0.000 0.536 444 Q N 1.709 121.613 119.800 0.174 0.000 2.314 444 Q HA 0.444 4.796 4.340 0.021 0.000 0.258 444 Q C 0.072 176.145 176.000 0.121 0.000 0.954 444 Q CA -0.128 55.758 55.803 0.139 0.000 0.890 444 Q CB 1.191 29.991 28.738 0.104 0.000 1.210 444 Q HN 0.136 nan 8.270 nan 0.000 0.410 445 R N 1.742 122.308 120.500 0.110 0.000 2.836 445 R HA 0.368 4.720 4.340 0.021 0.000 0.269 445 R C -0.566 175.779 176.300 0.075 0.000 1.010 445 R CA -0.673 55.483 56.100 0.092 0.000 0.930 445 R CB 1.190 31.547 30.300 0.094 0.000 1.218 445 R HN 0.701 nan 8.270 nan 0.000 0.473 446 D N -0.144 120.293 120.400 0.061 0.000 3.369 446 D HA -0.195 4.458 4.640 0.021 0.000 0.217 446 D C 0.335 176.661 176.300 0.043 0.000 1.532 446 D CA 2.069 56.096 54.000 0.045 0.000 1.126 446 D CB -1.092 39.732 40.800 0.040 0.000 0.683 446 D HN 0.923 nan 8.370 nan 0.000 0.827 447 G N -1.347 107.470 108.800 0.029 0.000 2.705 447 G HA2 0.179 4.152 3.960 0.021 0.000 0.686 447 G HA3 0.179 4.152 3.960 0.021 0.000 0.686 447 G C -0.248 174.650 174.900 -0.005 0.000 1.285 447 G CA 0.037 45.151 45.100 0.024 0.000 0.800 447 G HN 0.715 nan 8.290 nan 0.000 0.611 448 M N 1.435 121.007 119.600 -0.046 0.000 2.252 448 M HA 0.409 4.901 4.480 0.021 0.000 0.329 448 M C 1.355 177.603 176.300 -0.088 0.000 1.101 448 M CA 1.480 56.675 55.300 -0.175 0.000 1.117 448 M CB -0.706 31.671 32.600 -0.371 0.000 1.563 448 M HN 1.220 nan 8.290 nan 0.000 0.445 449 H N -0.620 118.453 119.070 0.004 0.000 2.839 449 H HA -0.174 4.395 4.556 0.021 0.000 0.298 449 H C -0.413 174.905 175.328 -0.017 0.000 1.224 449 H CA 0.469 56.515 56.048 -0.003 0.000 1.144 449 H CB -1.512 28.249 29.762 -0.001 0.000 1.372 449 H HN 0.540 nan 8.280 nan 0.000 0.408 450 R N 1.507 122.047 120.500 0.066 0.000 2.404 450 R HA 0.070 4.422 4.340 0.021 0.000 0.315 450 R C 0.957 177.273 176.300 0.026 0.000 1.032 450 R CA 0.082 56.205 56.100 0.037 0.000 0.992 450 R CB 0.285 30.603 30.300 0.030 0.000 0.959 450 R HN 0.318 nan 8.270 nan 0.000 0.428 451 M N 2.549 122.152 119.600 0.005 0.000 2.398 451 M HA 0.201 4.693 4.480 0.021 0.000 0.261 451 M C 1.001 177.298 176.300 -0.004 0.000 1.125 451 M CA 1.041 56.340 55.300 -0.003 0.000 1.183 451 M CB -0.892 31.693 32.600 -0.025 0.000 1.322 451 M HN 0.685 nan 8.290 nan 0.000 0.467 452 G N 2.133 110.931 108.800 -0.003 0.000 2.313 452 G HA2 0.336 4.309 3.960 0.021 0.000 0.250 452 G HA3 0.336 4.309 3.960 0.021 0.000 0.250 452 G C -0.311 174.583 174.900 -0.010 0.000 1.281 452 G CA -0.317 44.775 45.100 -0.013 0.000 0.917 452 G HN 0.338 nan 8.290 nan 0.000 0.501 453 I N 3.076 123.636 120.570 -0.017 0.000 2.307 453 I HA 0.094 4.276 4.170 0.021 0.000 0.287 453 I C -0.195 175.912 176.117 -0.016 0.000 1.054 453 I CA -0.534 60.761 61.300 -0.009 0.000 1.218 453 I CB 0.789 38.785 38.000 -0.006 0.000 1.398 453 I HN 0.367 nan 8.210 nan 0.000 0.475 454 D N 4.716 125.111 120.400 -0.010 0.000 2.390 454 D HA 0.066 4.719 4.640 0.021 0.000 0.249 454 D C 1.185 177.486 176.300 0.002 0.000 1.144 454 D CA 0.267 54.260 54.000 -0.012 0.000 0.880 454 D CB 1.795 42.593 40.800 -0.003 0.000 1.182 454 D HN 0.559 nan 8.370 nan 0.000 0.451 455 T N -1.105 113.446 114.554 -0.004 0.000 3.040 455 T HA -0.053 4.310 4.350 0.021 0.000 0.250 455 T C 0.851 175.558 174.700 0.012 0.000 1.058 455 T CA -0.534 61.568 62.100 0.002 0.000 0.988 455 T CB 0.182 69.044 68.868 -0.010 0.000 0.993 455 T HN 0.124 nan 8.240 nan 0.000 0.519 456 N N 3.516 122.223 118.700 0.012 0.000 2.365 456 N HA 0.079 4.832 4.740 0.021 0.000 0.265 456 N C -1.637 173.910 175.510 0.062 0.000 1.288 456 N CA -1.479 51.590 53.050 0.032 0.000 0.869 456 N CB 1.409 39.913 38.487 0.028 0.000 1.071 456 N HN 0.070 nan 8.380 nan 0.000 0.480 457 P HA -0.038 nan 4.420 nan 0.000 0.218 457 P C -0.476 176.887 177.300 0.104 0.000 1.148 457 P CA 1.034 64.179 63.100 0.074 0.000 0.822 457 P CB 0.179 31.917 31.700 0.064 0.000 0.784 458 A N 0.512 123.383 122.820 0.085 0.000 2.306 458 A HA 0.411 4.743 4.320 0.021 0.000 0.314 458 A C 0.481 178.180 177.584 0.191 0.000 1.164 458 A CA -0.610 51.441 52.037 0.024 0.000 0.822 458 A CB -0.031 18.786 19.000 -0.306 0.000 1.130 458 A HN 0.299 nan 8.150 nan 0.000 0.496 459 N N -0.068 118.797 118.700 0.275 0.000 2.351 459 N HA 0.358 5.111 4.740 0.021 0.000 0.254 459 N C -0.866 174.846 175.510 0.337 0.000 1.241 459 N CA -0.360 52.922 53.050 0.387 0.000 0.883 459 N CB 0.351 39.007 38.487 0.282 0.000 1.202 459 N HN 0.698 nan 8.380 nan 0.000 0.512 460 Y N -1.021 119.186 120.300 -0.156 0.000 2.609 460 Y HA 0.672 5.234 4.550 0.020 0.000 0.336 460 Y C -1.596 173.707 175.900 -0.995 0.000 1.129 460 Y CA -1.369 56.436 58.100 -0.492 0.000 1.040 460 Y CB 1.061 39.395 38.460 -0.209 0.000 1.310 460 Y HN 0.058 nan 8.280 nan 0.000 0.460 461 E N 1.091 120.819 120.200 -0.785 0.000 2.331 461 E HA 0.636 4.998 4.350 0.021 0.000 0.275 461 E C -3.189 173.293 176.600 -0.197 0.000 0.895 461 E CA -2.001 54.020 56.400 -0.633 0.000 0.753 461 E CB 1.731 30.988 29.700 -0.739 0.000 1.216 461 E HN 0.572 nan 8.360 nan 0.000 0.434 462 P HA 0.286 nan 4.420 nan 0.000 0.275 462 P C -1.253 175.986 177.300 -0.103 0.000 1.228 462 P CA -0.396 62.630 63.100 -0.124 0.000 0.786 462 P CB 0.508 32.172 31.700 -0.059 0.000 0.927 463 N N -1.336 117.236 118.700 -0.213 0.000 2.357 463 N HA 0.396 5.148 4.740 0.021 0.000 0.284 463 N C 0.230 175.685 175.510 -0.092 0.000 1.236 463 N CA -0.769 52.158 53.050 -0.205 0.000 0.774 463 N CB 1.444 39.547 38.487 -0.640 0.000 1.534 463 N HN 0.196 nan 8.380 nan 0.000 0.478 464 S N 0.136 115.826 115.700 -0.016 0.000 2.506 464 S HA 0.022 4.505 4.470 0.021 0.000 0.219 464 S C 1.504 176.114 174.600 0.016 0.000 1.031 464 S CA -0.081 58.117 58.200 -0.003 0.000 0.911 464 S CB -0.761 62.450 63.200 0.020 0.000 0.812 464 S HN 0.708 nan 8.310 nan 0.000 0.497 465 I N -0.526 120.060 120.570 0.027 0.000 2.830 465 I HA 0.239 4.422 4.170 0.021 0.000 0.263 465 I C 1.280 177.426 176.117 0.048 0.000 1.230 465 I CA 1.255 62.583 61.300 0.047 0.000 1.480 465 I CB -0.346 37.702 38.000 0.079 0.000 1.095 465 I HN 0.208 nan 8.210 nan 0.000 0.455 466 N N 1.003 119.729 118.700 0.043 0.000 2.299 466 N HA 0.038 4.791 4.740 0.021 0.000 0.246 466 N C -0.145 175.468 175.510 0.172 0.000 1.254 466 N CA -0.047 53.068 53.050 0.107 0.000 0.879 466 N CB 0.094 38.655 38.487 0.123 0.000 1.214 466 N HN 0.209 nan 8.380 nan 0.000 0.510 467 D N 0.794 121.244 120.400 0.083 0.000 2.723 467 D HA -0.249 4.404 4.640 0.021 0.000 0.236 467 D C -0.096 176.105 176.300 -0.166 0.000 1.138 467 D CA 1.010 55.025 54.000 0.025 0.000 0.676 467 D CB -1.417 39.471 40.800 0.146 0.000 1.069 467 D HN 0.472 nan 8.370 nan 0.000 0.430 468 N N -1.604 117.016 118.700 -0.133 0.000 2.753 468 N HA -0.250 4.502 4.740 0.021 0.000 0.251 468 N C -0.832 174.592 175.510 -0.143 0.000 1.097 468 N CA 1.433 54.375 53.050 -0.180 0.000 0.786 468 N CB -1.262 37.070 38.487 -0.258 0.000 1.137 468 N HN 0.553 nan 8.380 nan 0.000 0.566 469 W N 1.074 122.419 121.300 0.075 0.000 2.376 469 W HA 0.440 5.112 4.660 0.020 0.000 0.322 469 W C -1.649 174.890 176.519 0.034 0.000 1.160 469 W CA -1.670 55.699 57.345 0.039 0.000 1.218 469 W CB 0.704 30.139 29.460 -0.041 0.000 1.205 469 W HN -0.038 nan 8.180 nan 0.000 0.559 470 P HA 0.192 nan 4.420 nan 0.000 0.274 470 P C -0.666 176.772 177.300 0.229 0.000 1.231 470 P CA -0.091 63.157 63.100 0.246 0.000 0.790 470 P CB 1.054 32.753 31.700 -0.002 0.000 0.951 471 R N 0.784 121.401 120.500 0.196 0.000 2.668 471 R HA 0.342 4.694 4.340 0.021 0.000 0.279 471 R C 0.323 176.658 176.300 0.058 0.000 0.976 471 R CA -0.869 55.219 56.100 -0.020 0.000 0.978 471 R CB 1.121 31.193 30.300 -0.381 0.000 1.133 471 R HN 0.486 nan 8.270 nan 0.000 0.484 472 E N 0.699 120.918 120.200 0.032 0.000 2.418 472 E HA 0.028 4.390 4.350 0.021 0.000 0.261 472 E C -0.591 176.030 176.600 0.036 0.000 1.070 472 E CA 0.700 57.129 56.400 0.049 0.000 0.931 472 E CB 0.695 30.413 29.700 0.030 0.000 0.954 472 E HN 0.362 nan 8.360 nan 0.000 0.439 473 T N 3.852 118.440 114.554 0.056 0.000 2.879 473 T HA 0.319 4.682 4.350 0.021 0.000 0.290 473 T C -2.452 172.274 174.700 0.043 0.000 0.993 473 T CA -1.559 60.572 62.100 0.052 0.000 0.975 473 T CB 1.394 70.306 68.868 0.073 0.000 0.981 473 T HN 0.279 nan 8.240 nan 0.000 0.439 474 P HA 0.240 nan 4.420 nan 0.000 0.269 474 P C -2.572 174.735 177.300 0.013 0.000 1.215 474 P CA -1.441 61.668 63.100 0.015 0.000 0.780 474 P CB -0.526 31.177 31.700 0.006 0.000 0.898 475 P HA 0.245 nan 4.420 nan 0.000 0.269 475 P C 0.062 177.353 177.300 -0.015 0.000 1.209 475 P CA 0.497 63.584 63.100 -0.021 0.000 0.776 475 P CB 0.547 32.215 31.700 -0.054 0.000 0.876 476 G N 1.599 110.390 108.800 -0.015 0.000 2.550 476 G HA2 0.416 4.389 3.960 0.021 0.000 0.293 476 G HA3 0.416 4.389 3.960 0.021 0.000 0.293 476 G C -2.459 172.434 174.900 -0.013 0.000 1.402 476 G CA -0.810 44.285 45.100 -0.010 0.000 0.784 476 G HN 0.135 nan 8.290 nan 0.000 0.482 477 P HA 0.013 nan 4.420 nan 0.000 0.216 477 P C 0.109 177.406 177.300 -0.005 0.000 1.150 477 P CA 1.268 64.361 63.100 -0.012 0.000 0.837 477 P CB 0.137 31.832 31.700 -0.008 0.000 0.786 478 K N -1.740 118.663 120.400 0.006 0.000 2.527 478 K HA 0.423 4.756 4.320 0.021 0.000 0.260 478 K C -0.048 176.569 176.600 0.029 0.000 0.937 478 K CA -0.811 55.486 56.287 0.017 0.000 0.826 478 K CB 1.564 34.075 32.500 0.019 0.000 1.359 478 K HN -0.314 nan 8.250 nan 0.000 0.434 479 R N -0.337 120.188 120.500 0.041 0.000 3.627 479 R HA -0.149 4.203 4.340 0.021 0.000 0.281 479 R C 0.006 176.338 176.300 0.053 0.000 1.140 479 R CA 1.061 57.193 56.100 0.053 0.000 0.761 479 R CB -2.138 28.192 30.300 0.051 0.000 1.181 479 R HN 0.952 nan 8.270 nan 0.000 0.472 480 G N -1.039 107.789 108.800 0.046 0.000 2.491 480 G HA2 0.641 4.614 3.960 0.021 0.000 0.327 480 G HA3 0.641 4.614 3.960 0.021 0.000 0.327 480 G C 0.298 175.235 174.900 0.061 0.000 1.189 480 G CA 0.039 45.164 45.100 0.042 0.000 0.956 480 G HN 0.248 nan 8.290 nan 0.000 0.491 481 G N -1.240 107.597 108.800 0.062 0.000 2.594 481 G HA2 0.388 4.361 3.960 0.021 0.000 0.243 481 G HA3 0.388 4.361 3.960 0.021 0.000 0.243 481 G C -0.619 174.344 174.900 0.106 0.000 1.229 481 G CA -0.490 44.668 45.100 0.097 0.000 0.843 481 G HN 0.451 nan 8.290 nan 0.000 0.578 482 F N 0.429 120.398 119.950 0.032 0.000 2.467 482 F HA 0.370 4.910 4.527 0.022 0.000 0.362 482 F C 0.576 176.394 175.800 0.031 0.000 1.090 482 F CA -0.131 57.884 58.000 0.025 0.000 1.202 482 F CB 0.826 39.843 39.000 0.029 0.000 1.113 482 F HN 0.442 nan 8.300 nan 0.000 0.541 483 E N 4.051 123.929 120.200 -0.536 0.000 2.256 483 E HA 0.323 4.686 4.350 0.021 0.000 0.268 483 E C -1.129 175.126 176.600 -0.576 0.000 0.877 483 E CA -0.774 55.433 56.400 -0.321 0.000 0.757 483 E CB 1.542 31.138 29.700 -0.172 0.000 1.183 483 E HN 0.616 nan 8.360 nan 0.000 0.418 484 S N 2.386 117.978 115.700 -0.179 0.000 2.576 484 S HA 0.030 4.513 4.470 0.021 0.000 0.276 484 S C -0.604 173.982 174.600 -0.025 0.000 1.339 484 S CA -0.398 57.780 58.200 -0.036 0.000 1.039 484 S CB 0.217 63.534 63.200 0.196 0.000 0.902 484 S HN 0.478 nan 8.310 nan 0.000 0.516 485 Y N 2.571 122.811 120.300 -0.099 0.000 2.632 485 Y HA -0.000 4.562 4.550 0.021 0.000 0.329 485 Y C 0.859 176.744 175.900 -0.024 0.000 1.174 485 Y CA -0.025 58.029 58.100 -0.077 0.000 1.469 485 Y CB 0.119 38.538 38.460 -0.068 0.000 1.242 485 Y HN 0.570 nan 8.280 nan 0.000 0.540 486 Q N 5.606 125.065 119.800 -0.567 0.000 3.107 486 Q HA -0.040 4.312 4.340 0.021 0.000 0.268 486 Q C -0.151 175.525 176.000 -0.540 0.000 1.382 486 Q CA 0.124 55.665 55.803 -0.437 0.000 0.927 486 Q CB -0.300 28.258 28.738 -0.300 0.000 1.755 486 Q HN 0.678 nan 8.270 nan 0.000 0.545 487 E N 1.710 121.677 120.200 -0.388 0.000 2.384 487 E HA 0.001 4.363 4.350 0.021 0.000 0.266 487 E C -0.309 176.254 176.600 -0.062 0.000 1.012 487 E CA -0.338 55.973 56.400 -0.148 0.000 0.901 487 E CB 0.693 30.458 29.700 0.107 0.000 0.967 487 E HN 0.257 nan 8.360 nan 0.000 0.435 488 R N 3.346 123.836 120.500 -0.018 0.000 2.389 488 R HA 0.201 4.553 4.340 0.021 0.000 0.295 488 R C -1.255 175.066 176.300 0.035 0.000 1.075 488 R CA -0.394 55.708 56.100 0.002 0.000 1.005 488 R CB 0.688 30.997 30.300 0.015 0.000 0.987 488 R HN 0.329 nan 8.270 nan 0.000 0.452 489 V N 4.666 124.593 119.914 0.023 0.000 2.417 489 V HA 0.367 4.500 4.120 0.021 0.000 0.291 489 V C -0.322 175.785 176.094 0.021 0.000 1.024 489 V CA -0.492 61.827 62.300 0.031 0.000 0.861 489 V CB 1.495 33.335 31.823 0.027 0.000 0.985 489 V HN 0.812 nan 8.190 nan 0.000 0.436 490 E N 2.702 122.916 120.200 0.023 0.000 2.291 490 E HA 0.657 5.019 4.350 0.021 0.000 0.276 490 E C -0.411 176.193 176.600 0.008 0.000 0.896 490 E CA -0.118 56.290 56.400 0.013 0.000 0.774 490 E CB 2.268 31.975 29.700 0.012 0.000 1.227 490 E HN 0.974 nan 8.360 nan 0.000 0.413 491 G N 2.949 111.749 108.800 0.000 0.000 2.337 491 G HA2 0.029 4.001 3.960 0.021 0.000 0.298 491 G HA3 0.029 4.001 3.960 0.021 0.000 0.298 491 G C -1.391 173.503 174.900 -0.010 0.000 1.335 491 G CA -0.936 44.161 45.100 -0.006 0.000 0.875 491 G HN 0.410 nan 8.290 nan 0.000 0.579 492 N N 0.120 118.811 118.700 -0.015 0.000 2.489 492 N HA 0.345 5.098 4.740 0.021 0.000 0.284 492 N C -0.240 175.257 175.510 -0.021 0.000 1.158 492 N CA -0.336 52.705 53.050 -0.017 0.000 0.965 492 N CB 1.311 39.787 38.487 -0.018 0.000 1.195 492 N HN 0.456 nan 8.380 nan 0.000 0.506 493 K N 1.124 121.512 120.400 -0.021 0.000 2.294 493 K HA 0.173 4.505 4.320 0.021 0.000 0.288 493 K C -0.298 176.281 176.600 -0.034 0.000 1.072 493 K CA -0.142 56.129 56.287 -0.027 0.000 0.960 493 K CB -0.096 32.390 32.500 -0.024 0.000 1.043 493 K HN 0.334 nan 8.250 nan 0.000 0.455 494 V N 0.226 120.114 119.914 -0.042 0.000 2.962 494 V HA 0.502 4.635 4.120 0.021 0.000 0.313 494 V C -0.422 175.632 176.094 -0.066 0.000 1.099 494 V CA -1.346 60.924 62.300 -0.050 0.000 0.971 494 V CB 2.076 33.870 31.823 -0.047 0.000 1.028 494 V HN 0.596 nan 8.190 nan 0.000 0.430 495 R N 2.123 122.579 120.500 -0.072 0.000 2.471 495 R HA 0.581 4.933 4.340 0.021 0.000 0.292 495 R C -0.566 175.685 176.300 -0.081 0.000 1.192 495 R CA -0.137 55.906 56.100 -0.094 0.000 1.257 495 R CB 0.774 31.005 30.300 -0.115 0.000 1.130 495 R HN 0.943 nan 8.270 nan 0.000 0.558 496 E N 1.914 122.062 120.200 -0.086 0.000 2.321 496 E HA 0.216 4.579 4.350 0.021 0.000 0.281 496 E C -1.272 175.260 176.600 -0.114 0.000 0.910 496 E CA -1.001 55.350 56.400 -0.081 0.000 0.770 496 E CB 1.565 31.225 29.700 -0.067 0.000 1.225 496 E HN 0.103 nan 8.360 nan 0.000 0.417 497 R N 1.912 122.350 120.500 -0.102 0.000 2.389 497 R HA 0.191 4.544 4.340 0.021 0.000 0.295 497 R C -0.487 175.700 176.300 -0.188 0.000 1.075 497 R CA 0.125 56.127 56.100 -0.163 0.000 1.005 497 R CB 1.080 31.341 30.300 -0.064 0.000 0.987 497 R HN 0.403 nan 8.270 nan 0.000 0.452 498 S N 5.192 120.678 115.700 -0.357 0.000 2.549 498 S HA 0.103 4.585 4.470 0.021 0.000 0.286 498 S C -1.500 173.072 174.600 -0.047 0.000 1.314 498 S CA -1.193 56.882 58.200 -0.208 0.000 1.062 498 S CB 0.657 63.692 63.200 -0.276 0.000 0.865 498 S HN 0.547 nan 8.310 nan 0.000 0.498 499 P HA -0.108 nan 4.420 nan 0.000 0.219 499 P C 1.517 178.867 177.300 0.084 0.000 1.146 499 P CA 1.273 64.396 63.100 0.038 0.000 0.808 499 P CB -0.160 31.552 31.700 0.020 0.000 0.779 500 S N -2.075 113.715 115.700 0.150 0.000 2.469 500 S HA -0.114 4.369 4.470 0.021 0.000 0.238 500 S C 1.526 176.282 174.600 0.260 0.000 0.998 500 S CA 0.823 59.140 58.200 0.195 0.000 0.957 500 S CB -1.378 61.968 63.200 0.243 0.000 0.764 500 S HN -0.033 nan 8.310 nan 0.000 0.514 501 F N 2.290 122.224 119.950 -0.027 0.000 2.664 501 F HA 0.369 4.908 4.527 0.021 0.000 0.296 501 F C 2.122 177.837 175.800 -0.142 0.000 1.125 501 F CA -0.651 57.325 58.000 -0.041 0.000 1.444 501 F CB -0.866 38.142 39.000 0.013 0.000 1.114 501 F HN 0.351 nan 8.300 nan 0.000 0.576 502 G N 0.623 109.415 108.800 -0.014 0.000 3.325 502 G HA2 0.011 3.983 3.960 0.021 0.000 0.242 502 G HA3 0.011 3.983 3.960 0.021 0.000 0.242 502 G C 0.086 174.555 174.900 -0.719 0.000 1.120 502 G CA 0.186 45.086 45.100 -0.333 0.000 1.778 502 G HN 0.065 nan 8.290 nan 0.000 0.610 503 E N -0.012 119.695 120.200 -0.822 0.000 2.260 503 E HA 0.318 4.681 4.350 0.021 0.000 0.266 503 E C -0.815 175.358 176.600 -0.712 0.000 0.887 503 E CA -0.779 55.228 56.400 -0.654 0.000 0.777 503 E CB 1.432 30.990 29.700 -0.236 0.000 1.205 503 E HN 0.227 nan 8.360 nan 0.000 0.414 504 Y N 2.638 122.723 120.300 -0.358 0.000 2.453 504 Y HA 0.185 4.747 4.550 0.021 0.000 0.247 504 Y C 0.709 176.329 175.900 -0.467 0.000 1.124 504 Y CA -0.093 57.709 58.100 -0.498 0.000 1.243 504 Y CB 0.411 38.425 38.460 -0.745 0.000 1.213 504 Y HN 0.434 nan 8.280 nan 0.000 0.523 505 Y N -1.452 118.936 120.300 0.146 0.000 2.444 505 Y HA 0.097 4.660 4.550 0.021 0.000 0.252 505 Y C 2.397 178.357 175.900 0.100 0.000 1.091 505 Y CA 0.106 58.283 58.100 0.129 0.000 1.276 505 Y CB -0.350 38.192 38.460 0.137 0.000 1.170 505 Y HN 0.061 nan 8.280 nan 0.000 0.517 506 S N -0.604 115.226 115.700 0.216 0.000 2.383 506 S HA -0.200 4.282 4.470 0.021 0.000 0.227 506 S C 1.463 176.134 174.600 0.118 0.000 1.026 506 S CA 1.637 59.943 58.200 0.177 0.000 0.981 506 S CB -0.523 62.785 63.200 0.180 0.000 0.818 506 S HN 0.436 nan 8.310 nan 0.000 0.472 507 H N 2.845 121.822 119.070 -0.155 0.000 2.333 507 H HA 0.190 4.758 4.556 0.021 0.000 0.302 507 H C -0.614 174.503 175.328 -0.350 0.000 1.075 507 H CA 1.391 57.190 56.048 -0.416 0.000 1.348 507 H CB -1.758 27.506 29.762 -0.830 0.000 1.393 507 H HN 0.378 nan 8.280 nan 0.000 0.509 508 P HA -0.204 nan 4.420 nan 0.000 0.216 508 P C 1.494 178.976 177.300 0.303 0.000 1.157 508 P CA 1.815 65.060 63.100 0.242 0.000 0.880 508 P CB 0.075 31.947 31.700 0.286 0.000 0.791 509 R N -0.539 120.094 120.500 0.221 0.000 2.075 509 R HA -0.130 4.223 4.340 0.021 0.000 0.232 509 R C 2.186 178.618 176.300 0.220 0.000 1.126 509 R CA 1.158 57.395 56.100 0.228 0.000 0.963 509 R CB -1.059 29.338 30.300 0.161 0.000 0.858 509 R HN 0.063 nan 8.270 nan 0.000 0.435 510 L N 0.501 121.795 121.223 0.118 0.000 2.042 510 L HA -0.152 4.201 4.340 0.021 0.000 0.210 510 L C 1.959 178.889 176.870 0.099 0.000 1.076 510 L CA 1.757 56.631 54.840 0.056 0.000 0.749 510 L CB -0.783 41.235 42.059 -0.068 0.000 0.893 510 L HN 0.228 nan 8.230 nan 0.000 0.432 511 F N -0.708 119.270 119.950 0.047 0.000 2.075 511 F HA -0.283 4.257 4.527 0.021 0.000 0.297 511 F C 2.365 178.166 175.800 0.001 0.000 1.113 511 F CA 2.263 60.262 58.000 -0.001 0.000 1.218 511 F CB -0.692 38.329 39.000 0.036 0.000 0.984 511 F HN 0.383 nan 8.300 nan 0.000 0.472 512 W N 1.468 122.785 121.300 0.029 0.000 2.317 512 W HA -0.284 4.388 4.660 0.021 0.000 0.318 512 W C 1.851 178.264 176.519 -0.177 0.000 1.227 512 W CA 2.098 59.403 57.345 -0.067 0.000 1.269 512 W CB -0.792 28.700 29.460 0.055 0.000 1.155 512 W HN 0.098 nan 8.180 nan 0.000 0.484 513 L N 1.008 122.163 121.223 -0.113 0.000 2.275 513 L HA -0.175 4.177 4.340 0.021 0.000 0.215 513 L C 2.392 179.074 176.870 -0.314 0.000 1.119 513 L CA 1.168 55.862 54.840 -0.243 0.000 0.790 513 L CB -0.803 41.235 42.059 -0.034 0.000 0.919 513 L HN -0.129 nan 8.230 nan 0.000 0.443 514 S N -1.459 114.041 115.700 -0.333 0.000 2.527 514 S HA 0.028 4.511 4.470 0.021 0.000 0.222 514 S C 0.771 175.092 174.600 -0.466 0.000 0.985 514 S CA 0.172 58.168 58.200 -0.340 0.000 0.921 514 S CB 0.001 63.024 63.200 -0.295 0.000 0.772 514 S HN 0.312 nan 8.310 nan 0.000 0.529 515 Q N 2.207 121.629 119.800 -0.631 0.000 2.306 515 Q HA 0.254 4.606 4.340 0.021 0.000 0.241 515 Q C 0.661 176.282 176.000 -0.631 0.000 0.948 515 Q CA -0.067 55.333 55.803 -0.673 0.000 0.886 515 Q CB 0.298 28.579 28.738 -0.761 0.000 1.227 515 Q HN 0.427 nan 8.270 nan 0.000 0.457 516 T N -1.632 112.512 114.554 -0.684 0.000 2.748 516 T HA 0.134 4.497 4.350 0.021 0.000 0.304 516 T C -1.721 172.520 174.700 -0.765 0.000 1.041 516 T CA -1.258 60.395 62.100 -0.746 0.000 1.033 516 T CB 0.292 68.484 68.868 -1.127 0.000 0.995 516 T HN 0.232 nan 8.240 nan 0.000 0.536 517 P HA -0.028 nan 4.420 nan 0.000 0.215 517 P C 1.426 178.510 177.300 -0.361 0.000 1.153 517 P CA 1.096 63.967 63.100 -0.382 0.000 0.853 517 P CB -0.274 31.318 31.700 -0.180 0.000 0.788 518 F N -0.172 119.592 119.950 -0.311 0.000 2.325 518 F HA 0.043 4.583 4.527 0.021 0.000 0.299 518 F C 1.800 177.254 175.800 -0.576 0.000 1.090 518 F CA 0.810 58.562 58.000 -0.413 0.000 1.392 518 F CB -1.550 37.194 39.000 -0.428 0.000 1.053 518 F HN -0.089 nan 8.300 nan 0.000 0.521 519 E N 0.599 120.258 120.200 -0.902 0.000 2.072 519 E HA -0.191 4.172 4.350 0.021 0.000 0.191 519 E C 2.227 178.658 176.600 -0.281 0.000 0.985 519 E CA 1.319 57.410 56.400 -0.516 0.000 0.801 519 E CB -0.245 29.102 29.700 -0.588 0.000 0.750 519 E HN 0.615 nan 8.360 nan 0.000 0.452 520 Q N 0.312 119.864 119.800 -0.414 0.000 2.084 520 Q HA -0.206 4.147 4.340 0.021 0.000 0.202 520 Q C 2.264 178.309 176.000 0.076 0.000 0.978 520 Q CA 1.308 56.913 55.803 -0.329 0.000 0.844 520 Q CB -0.153 28.093 28.738 -0.819 0.000 0.898 520 Q HN 0.002 nan 8.270 nan 0.000 0.426 521 R N 0.420 120.924 120.500 0.007 0.000 2.083 521 R HA -0.166 4.187 4.340 0.021 0.000 0.237 521 R C 1.714 178.179 176.300 0.274 0.000 1.137 521 R CA 1.924 58.112 56.100 0.147 0.000 0.951 521 R CB -0.438 29.922 30.300 0.100 0.000 0.851 521 R HN 0.470 nan 8.270 nan 0.000 0.434 522 H N -0.825 118.345 119.070 0.166 0.000 2.421 522 H HA -0.058 4.511 4.556 0.021 0.000 0.298 522 H C 2.023 177.473 175.328 0.203 0.000 1.087 522 H CA 1.251 57.411 56.048 0.188 0.000 1.330 522 H CB -0.022 29.857 29.762 0.196 0.000 1.388 522 H HN 0.203 nan 8.280 nan 0.000 0.526 523 I N 0.037 120.830 120.570 0.372 0.000 2.142 523 I HA -0.257 3.925 4.170 0.021 0.000 0.240 523 I C 2.328 178.735 176.117 0.482 0.000 1.078 523 I CA 0.791 62.343 61.300 0.420 0.000 1.343 523 I CB -0.186 38.159 38.000 0.574 0.000 1.046 523 I HN 0.075 nan 8.210 nan 0.000 0.405 524 V N 0.978 121.168 119.914 0.460 0.000 2.282 524 V HA -0.342 3.790 4.120 0.021 0.000 0.249 524 V C 2.083 178.352 176.094 0.292 0.000 1.057 524 V CA 2.182 64.695 62.300 0.355 0.000 1.032 524 V CB -0.698 31.290 31.823 0.276 0.000 0.645 524 V HN 0.428 nan 8.190 nan 0.000 0.447 525 D N 0.333 120.891 120.400 0.264 0.000 2.144 525 D HA -0.105 4.547 4.640 0.021 0.000 0.199 525 D C 2.171 178.553 176.300 0.136 0.000 0.984 525 D CA 1.576 55.698 54.000 0.203 0.000 0.834 525 D CB -0.646 40.285 40.800 0.219 0.000 0.955 525 D HN 0.482 nan 8.370 nan 0.000 0.465 526 G N 0.082 108.941 108.800 0.098 0.000 2.433 526 G HA2 -0.255 3.718 3.960 0.021 0.000 0.216 526 G HA3 -0.255 3.718 3.960 0.021 0.000 0.216 526 G C 1.483 176.390 174.900 0.013 0.000 1.186 526 G CA 0.276 45.344 45.100 -0.054 0.000 0.779 526 G HN 0.160 nan 8.290 nan 0.000 0.543 527 F N 1.870 121.858 119.950 0.064 0.000 2.069 527 F HA -0.118 4.422 4.527 0.021 0.000 0.298 527 F C 3.218 178.932 175.800 -0.143 0.000 1.113 527 F CA 1.725 59.696 58.000 -0.048 0.000 1.214 527 F CB -0.556 38.423 39.000 -0.035 0.000 0.978 527 F HN 0.090 nan 8.300 nan 0.000 0.474 528 S N -0.008 115.786 115.700 0.157 0.000 2.359 528 S HA -0.251 4.231 4.470 0.021 0.000 0.224 528 S C 1.878 176.492 174.600 0.023 0.000 1.035 528 S CA 1.570 59.806 58.200 0.060 0.000 1.018 528 S CB -0.919 62.340 63.200 0.099 0.000 0.876 528 S HN 0.415 nan 8.310 nan 0.000 0.448 529 F N 2.479 122.390 119.950 -0.066 0.000 2.075 529 F HA -0.114 4.426 4.527 0.021 0.000 0.297 529 F C 2.386 178.124 175.800 -0.103 0.000 1.113 529 F CA 1.557 59.507 58.000 -0.085 0.000 1.218 529 F CB -0.314 38.567 39.000 -0.198 0.000 0.984 529 F HN 0.126 nan 8.300 nan 0.000 0.472 530 E N 0.654 120.808 120.200 -0.078 0.000 2.077 530 E HA -0.220 4.143 4.350 0.021 0.000 0.193 530 E C 2.359 178.746 176.600 -0.354 0.000 0.989 530 E CA 1.687 58.009 56.400 -0.130 0.000 0.800 530 E CB -0.511 29.294 29.700 0.175 0.000 0.746 530 E HN 0.493 nan 8.360 nan 0.000 0.452 531 L N 1.301 122.242 121.223 -0.469 0.000 2.141 531 L HA -0.144 4.208 4.340 0.021 0.000 0.209 531 L C 2.730 179.426 176.870 -0.290 0.000 1.094 531 L CA 1.183 55.731 54.840 -0.487 0.000 0.763 531 L CB -0.504 41.286 42.059 -0.448 0.000 0.908 531 L HN 0.152 nan 8.230 nan 0.000 0.437 532 S N -0.714 114.828 115.700 -0.262 0.000 2.447 532 S HA -0.115 4.367 4.470 0.021 0.000 0.233 532 S C 1.763 176.238 174.600 -0.209 0.000 1.006 532 S CA 0.637 58.712 58.200 -0.208 0.000 0.957 532 S CB -0.145 62.937 63.200 -0.197 0.000 0.773 532 S HN 0.301 nan 8.310 nan 0.000 0.507 533 K N 1.147 121.391 120.400 -0.259 0.000 2.444 533 K HA 0.305 4.638 4.320 0.021 0.000 0.193 533 K C -0.083 176.507 176.600 -0.016 0.000 1.024 533 K CA 0.020 56.222 56.287 -0.143 0.000 1.077 533 K CB 0.079 32.478 32.500 -0.167 0.000 0.833 533 K HN 0.315 nan 8.250 nan 0.000 0.517 534 V N 2.331 122.215 119.914 -0.049 0.000 2.408 534 V HA -0.004 4.129 4.120 0.021 0.000 0.267 534 V C 1.689 177.770 176.094 -0.022 0.000 1.047 534 V CA -0.065 62.233 62.300 -0.002 0.000 0.937 534 V CB 1.291 33.076 31.823 -0.064 0.000 0.999 534 V HN -0.115 nan 8.190 nan 0.000 0.472 535 V N 5.175 125.099 119.914 0.017 0.000 2.453 535 V HA -0.041 4.091 4.120 0.021 0.000 0.247 535 V C 1.293 177.379 176.094 -0.013 0.000 1.048 535 V CA 1.230 63.538 62.300 0.013 0.000 1.049 535 V CB -0.517 31.333 31.823 0.044 0.000 0.672 535 V HN 0.752 nan 8.190 nan 0.000 0.457 536 R N 0.960 121.430 120.500 -0.050 0.000 2.242 536 R HA 0.197 4.550 4.340 0.021 0.000 0.334 536 R C -1.672 174.535 176.300 -0.155 0.000 1.071 536 R CA -1.485 54.568 56.100 -0.078 0.000 0.922 536 R CB 0.627 30.829 30.300 -0.164 0.000 1.023 536 R HN 0.227 nan 8.270 nan 0.000 0.458 537 P HA -0.233 nan 4.420 nan 0.000 0.216 537 P C 0.872 178.148 177.300 -0.040 0.000 1.150 537 P CA 1.271 64.350 63.100 -0.034 0.000 0.843 537 P CB -0.053 31.659 31.700 0.019 0.000 0.787 538 Y N -0.844 119.454 120.300 -0.003 0.000 2.256 538 Y HA -0.140 4.422 4.550 0.021 0.000 0.288 538 Y C 1.983 177.886 175.900 0.006 0.000 1.155 538 Y CA 0.915 59.014 58.100 -0.001 0.000 1.203 538 Y CB -1.801 36.659 38.460 0.001 0.000 0.980 538 Y HN -0.112 nan 8.280 nan 0.000 0.530 539 I N 0.845 120.964 120.570 -0.752 0.000 2.315 539 I HA -0.252 3.931 4.170 0.021 0.000 0.248 539 I C 2.537 178.554 176.117 -0.167 0.000 1.117 539 I CA 1.415 62.455 61.300 -0.434 0.000 1.404 539 I CB -0.390 37.350 38.000 -0.434 0.000 1.071 539 I HN 0.212 nan 8.210 nan 0.000 0.419 540 R N 0.809 121.207 120.500 -0.169 0.000 2.081 540 R HA -0.182 4.171 4.340 0.021 0.000 0.235 540 R C 2.118 178.364 176.300 -0.089 0.000 1.131 540 R CA 1.504 57.519 56.100 -0.141 0.000 0.960 540 R CB -0.429 29.789 30.300 -0.137 0.000 0.856 540 R HN 0.463 nan 8.270 nan 0.000 0.436 541 E N 0.539 120.711 120.200 -0.047 0.000 2.077 541 E HA -0.161 4.201 4.350 0.021 0.000 0.193 541 E C 2.132 178.735 176.600 0.004 0.000 0.989 541 E CA 1.023 57.416 56.400 -0.012 0.000 0.800 541 E CB -0.047 29.670 29.700 0.028 0.000 0.746 541 E HN 0.292 nan 8.360 nan 0.000 0.452 542 R N 0.381 120.897 120.500 0.028 0.000 2.096 542 R HA -0.092 4.260 4.340 0.021 0.000 0.235 542 R C 2.365 178.687 176.300 0.035 0.000 1.127 542 R CA 1.040 57.169 56.100 0.048 0.000 0.968 542 R CB -0.210 30.138 30.300 0.081 0.000 0.861 542 R HN 0.070 nan 8.270 nan 0.000 0.440 543 V N 0.293 120.219 119.914 0.020 0.000 2.453 543 V HA -0.156 3.976 4.120 0.021 0.000 0.247 543 V C 2.279 178.353 176.094 -0.034 0.000 1.048 543 V CA 1.236 63.561 62.300 0.041 0.000 1.049 543 V CB -0.174 31.680 31.823 0.052 0.000 0.672 543 V HN 0.099 nan 8.190 nan 0.000 0.457 544 V N 0.726 120.596 119.914 -0.073 0.000 2.343 544 V HA -0.319 3.814 4.120 0.021 0.000 0.247 544 V C 2.309 178.362 176.094 -0.067 0.000 1.051 544 V CA 2.518 64.753 62.300 -0.108 0.000 1.036 544 V CB -0.653 31.111 31.823 -0.098 0.000 0.654 544 V HN 0.664 nan 8.190 nan 0.000 0.451 545 D N -0.965 119.429 120.400 -0.010 0.000 2.144 545 D HA -0.193 4.460 4.640 0.021 0.000 0.199 545 D C 2.260 178.643 176.300 0.139 0.000 0.984 545 D CA 1.064 55.092 54.000 0.047 0.000 0.834 545 D CB 0.021 40.865 40.800 0.074 0.000 0.955 545 D HN 0.308 nan 8.370 nan 0.000 0.465 546 Q N -0.090 119.760 119.800 0.084 0.000 2.046 546 Q HA -0.076 4.276 4.340 0.021 0.000 0.200 546 Q C 2.575 178.606 176.000 0.050 0.000 0.975 546 Q CA 0.756 56.615 55.803 0.093 0.000 0.836 546 Q CB -0.420 28.386 28.738 0.113 0.000 0.896 546 Q HN 0.453 nan 8.270 nan 0.000 0.428 547 L N 0.145 121.332 121.223 -0.061 0.000 2.131 547 L HA -0.137 4.216 4.340 0.021 0.000 0.210 547 L C 2.300 179.052 176.870 -0.197 0.000 1.092 547 L CA 0.999 55.725 54.840 -0.189 0.000 0.759 547 L CB -0.662 41.174 42.059 -0.372 0.000 0.903 547 L HN 0.087 nan 8.230 nan 0.000 0.435 548 A N -0.863 121.863 122.820 -0.157 0.000 2.121 548 A HA -0.177 4.156 4.320 0.021 0.000 0.218 548 A C 1.760 179.160 177.584 -0.308 0.000 1.154 548 A CA 1.112 53.022 52.037 -0.212 0.000 0.679 548 A CB -0.682 18.201 19.000 -0.195 0.000 0.795 548 A HN 0.433 nan 8.150 nan 0.000 0.458 549 H N -1.213 117.644 119.070 -0.354 0.000 2.548 549 H HA 0.246 4.815 4.556 0.021 0.000 0.268 549 H C 1.597 176.644 175.328 -0.470 0.000 0.975 549 H CA 1.089 56.793 56.048 -0.573 0.000 1.195 549 H CB 0.098 29.091 29.762 -1.281 0.000 1.397 549 H HN 0.500 nan 8.280 nan 0.000 0.572 550 I N -1.178 119.285 120.570 -0.179 0.000 2.685 550 I HA 0.074 4.256 4.170 0.021 0.000 0.251 550 I C -0.114 175.929 176.117 -0.123 0.000 1.102 550 I CA 0.491 61.754 61.300 -0.062 0.000 1.442 550 I CB 0.653 38.649 38.000 -0.007 0.000 1.194 550 I HN 0.098 nan 8.210 nan 0.000 0.448 551 D N -0.963 119.293 120.400 -0.239 0.000 2.878 551 D HA 0.189 4.842 4.640 0.021 0.000 0.211 551 D C 0.258 176.393 176.300 -0.274 0.000 1.271 551 D CA -0.409 53.432 54.000 -0.265 0.000 0.845 551 D CB 1.359 41.864 40.800 -0.493 0.000 1.679 551 D HN -0.192 nan 8.370 nan 0.000 0.536 552 L N 2.431 123.553 121.223 -0.167 0.000 2.056 552 L HA -0.056 4.296 4.340 0.021 0.000 0.207 552 L C 1.782 178.573 176.870 -0.132 0.000 1.078 552 L CA 1.791 56.546 54.840 -0.142 0.000 0.749 552 L CB -0.999 41.007 42.059 -0.088 0.000 0.901 552 L HN 0.642 nan 8.230 nan 0.000 0.433 553 T N 0.431 114.937 114.554 -0.080 0.000 2.684 553 T HA -0.234 4.128 4.350 0.021 0.000 0.267 553 T C 1.972 176.615 174.700 -0.095 0.000 1.036 553 T CA 1.249 63.345 62.100 -0.006 0.000 1.148 553 T CB -0.292 68.676 68.868 0.167 0.000 0.863 553 T HN 0.230 nan 8.240 nan 0.000 0.436 554 L N 0.708 121.706 121.223 -0.374 0.000 1.994 554 L HA -0.136 4.217 4.340 0.021 0.000 0.208 554 L C 2.798 179.430 176.870 -0.397 0.000 1.071 554 L CA 2.012 56.458 54.840 -0.658 0.000 0.745 554 L CB -0.879 40.382 42.059 -1.330 0.000 0.892 554 L HN 0.309 nan 8.230 nan 0.000 0.431 555 A N -0.626 121.982 122.820 -0.353 0.000 1.877 555 A HA -0.273 4.060 4.320 0.021 0.000 0.216 555 A C 2.069 179.550 177.584 -0.171 0.000 1.186 555 A CA 1.733 53.612 52.037 -0.262 0.000 0.620 555 A CB -0.566 18.300 19.000 -0.224 0.000 0.822 555 A HN 0.632 nan 8.150 nan 0.000 0.443 556 Q N -0.754 118.968 119.800 -0.131 0.000 2.050 556 Q HA -0.144 4.208 4.340 0.021 0.000 0.202 556 Q C 2.491 178.459 176.000 -0.052 0.000 0.980 556 Q CA 1.492 57.249 55.803 -0.076 0.000 0.840 556 Q CB -0.400 28.308 28.738 -0.051 0.000 0.898 556 Q HN 0.686 nan 8.270 nan 0.000 0.424 557 A N 0.292 123.087 122.820 -0.041 0.000 1.902 557 A HA -0.150 4.183 4.320 0.021 0.000 0.217 557 A C 2.335 179.915 177.584 -0.008 0.000 1.181 557 A CA 1.456 53.496 52.037 0.004 0.000 0.623 557 A CB -0.746 18.288 19.000 0.057 0.000 0.818 557 A HN 0.218 nan 8.150 nan 0.000 0.443 558 V N -0.144 119.735 119.914 -0.058 0.000 2.295 558 V HA -0.241 3.892 4.120 0.021 0.000 0.246 558 V C 3.084 179.141 176.094 -0.062 0.000 1.049 558 V CA 1.914 64.177 62.300 -0.062 0.000 1.024 558 V CB -1.315 30.416 31.823 -0.154 0.000 0.648 558 V HN 0.627 nan 8.190 nan 0.000 0.447 559 A N -0.087 122.685 122.820 -0.081 0.000 1.892 559 A HA -0.344 3.988 4.320 0.021 0.000 0.218 559 A C 2.336 179.899 177.584 -0.035 0.000 1.188 559 A CA 2.556 54.555 52.037 -0.063 0.000 0.631 559 A CB -0.607 18.353 19.000 -0.066 0.000 0.822 559 A HN 0.552 nan 8.150 nan 0.000 0.447 560 K N -0.566 119.821 120.400 -0.022 0.000 2.063 560 K HA -0.208 4.125 4.320 0.021 0.000 0.208 560 K C 1.511 178.115 176.600 0.006 0.000 1.048 560 K CA 1.713 57.998 56.287 -0.003 0.000 0.928 560 K CB -0.224 32.281 32.500 0.008 0.000 0.713 560 K HN 0.442 nan 8.250 nan 0.000 0.442 561 N N 0.564 119.271 118.700 0.012 0.000 2.453 561 N HA -0.093 4.659 4.740 0.021 0.000 0.183 561 N C 1.138 176.652 175.510 0.006 0.000 1.041 561 N CA 0.838 53.903 53.050 0.024 0.000 0.900 561 N CB 0.115 38.628 38.487 0.043 0.000 0.961 561 N HN 0.283 nan 8.380 nan 0.000 0.443 562 L N -0.956 120.258 121.223 -0.015 0.000 2.693 562 L HA 0.272 4.624 4.340 0.021 0.000 0.235 562 L C 0.852 177.709 176.870 -0.022 0.000 1.127 562 L CA -0.161 54.661 54.840 -0.030 0.000 0.914 562 L CB 0.007 42.033 42.059 -0.056 0.000 1.193 562 L HN 0.051 nan 8.230 nan 0.000 0.502 563 G N 1.725 110.518 108.800 -0.012 0.000 2.249 563 G HA2 -0.291 3.682 3.960 0.021 0.000 0.273 563 G HA3 -0.291 3.682 3.960 0.021 0.000 0.273 563 G C 0.002 174.895 174.900 -0.013 0.000 1.036 563 G CA 0.202 45.297 45.100 -0.008 0.000 0.824 563 G HN 0.344 nan 8.290 nan 0.000 0.504 564 I N -0.231 120.327 120.570 -0.020 0.000 2.441 564 I HA 0.383 4.566 4.170 0.021 0.000 0.295 564 I C 0.265 176.368 176.117 -0.024 0.000 0.994 564 I CA -0.713 60.573 61.300 -0.023 0.000 1.144 564 I CB 1.772 39.751 38.000 -0.034 0.000 1.314 564 I HN 0.072 nan 8.210 nan 0.000 0.445 565 E N 5.887 126.075 120.200 -0.020 0.000 2.156 565 E HA 0.432 4.795 4.350 0.021 0.000 0.279 565 E C -0.923 175.660 176.600 -0.028 0.000 0.965 565 E CA -0.671 55.716 56.400 -0.022 0.000 0.789 565 E CB 1.606 31.297 29.700 -0.015 0.000 1.098 565 E HN 0.408 nan 8.360 nan 0.000 0.397 566 L N 3.048 124.249 121.223 -0.036 0.000 2.426 566 L HA 0.122 4.474 4.340 0.021 0.000 0.271 566 L C 1.061 177.909 176.870 -0.036 0.000 1.169 566 L CA -0.222 54.592 54.840 -0.044 0.000 0.836 566 L CB 0.263 42.287 42.059 -0.059 0.000 1.112 566 L HN 0.654 nan 8.230 nan 0.000 0.465 567 T N -2.304 112.229 114.554 -0.036 0.000 2.828 567 T HA 0.058 4.421 4.350 0.021 0.000 0.290 567 T C 0.778 175.456 174.700 -0.037 0.000 1.019 567 T CA -0.805 61.277 62.100 -0.030 0.000 1.031 567 T CB 1.081 69.934 68.868 -0.025 0.000 1.001 567 T HN 0.492 nan 8.240 nan 0.000 0.531 568 D N 0.400 120.781 120.400 -0.031 0.000 2.144 568 D HA -0.085 4.568 4.640 0.021 0.000 0.199 568 D C 1.654 177.929 176.300 -0.043 0.000 0.984 568 D CA 1.061 55.041 54.000 -0.033 0.000 0.834 568 D CB -0.286 40.499 40.800 -0.025 0.000 0.955 568 D HN 0.587 nan 8.370 nan 0.000 0.465 569 D N 0.588 120.964 120.400 -0.041 0.000 2.123 569 D HA -0.127 4.525 4.640 0.021 0.000 0.196 569 D C 2.112 178.364 176.300 -0.081 0.000 0.992 569 D CA 0.834 54.804 54.000 -0.050 0.000 0.833 569 D CB -0.167 40.611 40.800 -0.036 0.000 0.954 569 D HN 0.326 nan 8.370 nan 0.000 0.455 570 Q N -0.274 119.475 119.800 -0.084 0.000 2.119 570 Q HA -0.034 4.319 4.340 0.021 0.000 0.201 570 Q C 2.414 178.337 176.000 -0.129 0.000 0.972 570 Q CA 0.554 56.282 55.803 -0.124 0.000 0.847 570 Q CB -0.032 28.647 28.738 -0.097 0.000 0.903 570 Q HN 0.300 nan 8.270 nan 0.000 0.433 571 L N 0.772 121.940 121.223 -0.091 0.000 2.265 571 L HA -0.154 4.199 4.340 0.021 0.000 0.215 571 L C 1.164 177.984 176.870 -0.083 0.000 1.117 571 L CA 0.625 55.416 54.840 -0.081 0.000 0.782 571 L CB -0.113 41.912 42.059 -0.056 0.000 0.914 571 L HN 0.238 nan 8.230 nan 0.000 0.441 572 N N -0.260 118.388 118.700 -0.085 0.000 2.214 572 N HA 0.237 4.989 4.740 0.021 0.000 0.214 572 N C 0.251 175.699 175.510 -0.103 0.000 1.132 572 N CA 0.015 53.019 53.050 -0.077 0.000 0.856 572 N CB 0.595 39.049 38.487 -0.055 0.000 1.020 572 N HN 0.230 nan 8.380 nan 0.000 0.509 573 I N 1.504 121.978 120.570 -0.159 0.000 2.668 573 I HA -0.090 4.093 4.170 0.021 0.000 0.285 573 I C 1.202 177.223 176.117 -0.161 0.000 1.168 573 I CA 0.453 61.621 61.300 -0.220 0.000 1.424 573 I CB 0.377 38.117 38.000 -0.433 0.000 1.377 573 I HN -0.087 nan 8.210 nan 0.000 0.560 574 T N 8.356 122.845 114.554 -0.108 0.000 2.851 574 T HA 0.247 4.610 4.350 0.021 0.000 0.298 574 T C -2.048 172.615 174.700 -0.061 0.000 0.977 574 T CA -1.415 60.647 62.100 -0.063 0.000 1.126 574 T CB 0.587 69.439 68.868 -0.027 0.000 0.916 574 T HN 0.367 nan 8.240 nan 0.000 0.529 575 P HA 0.249 nan 4.420 nan 0.000 0.269 575 P C -2.542 174.775 177.300 0.028 0.000 1.209 575 P CA -1.337 61.751 63.100 -0.020 0.000 0.776 575 P CB -0.531 31.167 31.700 -0.003 0.000 0.876 576 P HA 0.144 nan 4.420 nan 0.000 0.270 576 P C -2.281 175.076 177.300 0.094 0.000 1.223 576 P CA -1.058 62.114 63.100 0.121 0.000 0.785 576 P CB -1.083 30.736 31.700 0.197 0.000 0.923 577 P HA 0.088 nan 4.420 nan 0.000 0.272 577 P C -0.237 177.111 177.300 0.081 0.000 1.230 577 P CA 0.068 63.215 63.100 0.078 0.000 0.788 577 P CB 0.435 32.181 31.700 0.077 0.000 0.949 578 D N -0.191 120.249 120.400 0.067 0.000 2.362 578 D HA 0.057 4.710 4.640 0.021 0.000 0.238 578 D C -0.038 176.307 176.300 0.075 0.000 1.212 578 D CA 0.094 54.130 54.000 0.060 0.000 0.902 578 D CB 0.354 41.184 40.800 0.049 0.000 1.180 578 D HN 0.003 nan 8.370 nan 0.000 0.445 579 V N 2.221 122.170 119.914 0.058 0.000 2.339 579 V HA 0.054 4.187 4.120 0.021 0.000 0.261 579 V C 0.288 176.468 176.094 0.143 0.000 1.058 579 V CA -0.393 61.966 62.300 0.098 0.000 0.897 579 V CB -0.456 31.334 31.823 -0.056 0.000 1.052 579 V HN 0.597 nan 8.190 nan 0.000 0.480 580 N N 4.542 123.341 118.700 0.165 0.000 2.714 580 N HA -0.230 4.523 4.740 0.021 0.000 0.252 580 N C 1.196 176.760 175.510 0.090 0.000 1.014 580 N CA 0.936 54.066 53.050 0.133 0.000 0.735 580 N CB -0.846 37.759 38.487 0.197 0.000 0.924 580 N HN 1.252 nan 8.380 nan 0.000 0.540 581 G N -2.314 106.528 108.800 0.069 0.000 2.212 581 G HA2 -0.329 3.643 3.960 0.021 0.000 0.266 581 G HA3 -0.329 3.643 3.960 0.021 0.000 0.266 581 G C -0.014 174.913 174.900 0.045 0.000 0.978 581 G CA 0.288 45.418 45.100 0.049 0.000 0.632 581 G HN 0.334 nan 8.290 nan 0.000 0.537 582 L N 0.758 122.012 121.223 0.052 0.000 2.319 582 L HA 0.465 4.818 4.340 0.021 0.000 0.280 582 L C 1.364 178.248 176.870 0.024 0.000 1.099 582 L CA 0.435 55.298 54.840 0.037 0.000 0.828 582 L CB 1.340 43.424 42.059 0.041 0.000 1.150 582 L HN 0.179 nan 8.230 nan 0.000 0.442 583 K N 3.161 123.570 120.400 0.015 0.000 2.358 583 K HA 0.150 4.482 4.320 0.021 0.000 0.197 583 K C -0.340 176.255 176.600 -0.010 0.000 1.025 583 K CA 0.048 56.341 56.287 0.009 0.000 1.104 583 K CB 0.407 32.913 32.500 0.010 0.000 0.855 583 K HN 0.648 nan 8.250 nan 0.000 0.531 584 K N -0.550 119.839 120.400 -0.018 0.000 2.703 584 K HA 0.209 4.542 4.320 0.021 0.000 0.285 584 K C -2.201 174.381 176.600 -0.029 0.000 1.014 584 K CA -0.968 55.292 56.287 -0.045 0.000 0.858 584 K CB 1.178 33.634 32.500 -0.074 0.000 1.467 584 K HN -0.226 nan 8.250 nan 0.000 0.383 585 D N 1.867 122.243 120.400 -0.041 0.000 2.365 585 D HA 0.273 4.926 4.640 0.021 0.000 0.235 585 D C -2.078 174.206 176.300 -0.026 0.000 1.368 585 D CA -1.970 52.026 54.000 -0.007 0.000 1.001 585 D CB 2.003 42.822 40.800 0.031 0.000 1.364 585 D HN 0.303 nan 8.370 nan 0.000 0.577 586 P HA -0.122 nan 4.420 nan 0.000 0.221 586 P C 1.258 178.552 177.300 -0.010 0.000 1.145 586 P CA 0.809 63.882 63.100 -0.044 0.000 0.795 586 P CB 0.096 31.777 31.700 -0.030 0.000 0.775 587 S N -0.642 115.085 115.700 0.045 0.000 2.474 587 S HA -0.061 4.421 4.470 0.021 0.000 0.235 587 S C 1.804 176.489 174.600 0.142 0.000 0.997 587 S CA 0.708 58.972 58.200 0.106 0.000 0.949 587 S CB -1.487 61.806 63.200 0.155 0.000 0.766 587 S HN 0.143 nan 8.310 nan 0.000 0.517 588 L N 1.366 122.637 121.223 0.080 0.000 2.478 588 L HA 0.176 4.528 4.340 0.021 0.000 0.223 588 L C 1.500 178.268 176.870 -0.170 0.000 1.140 588 L CA 0.202 55.080 54.840 0.063 0.000 0.842 588 L CB -0.384 41.683 42.059 0.013 0.000 0.953 588 L HN 0.328 nan 8.230 nan 0.000 0.452 589 S N -0.495 115.093 115.700 -0.188 0.000 2.586 589 S HA 0.312 4.794 4.470 0.021 0.000 0.274 589 S C 1.010 175.502 174.600 -0.179 0.000 1.281 589 S CA -0.639 57.400 58.200 -0.268 0.000 1.035 589 S CB 1.452 64.491 63.200 -0.268 0.000 0.962 589 S HN 0.154 nan 8.310 nan 0.000 0.512 590 L N 2.951 123.995 121.223 -0.298 0.000 2.131 590 L HA 0.061 4.414 4.340 0.021 0.000 0.206 590 L C 0.880 177.493 176.870 -0.429 0.000 1.087 590 L CA 1.039 55.610 54.840 -0.448 0.000 0.767 590 L CB -0.242 41.240 42.059 -0.962 0.000 0.917 590 L HN 0.766 nan 8.230 nan 0.000 0.441 591 Y N -2.242 118.057 120.300 -0.002 0.000 2.426 591 Y HA 0.342 4.904 4.550 0.021 0.000 0.249 591 Y C 2.152 178.068 175.900 0.028 0.000 1.103 591 Y CA -0.138 58.006 58.100 0.072 0.000 1.256 591 Y CB -0.493 38.045 38.460 0.129 0.000 1.208 591 Y HN -0.038 nan 8.280 nan 0.000 0.519 592 A N 0.545 123.385 122.820 0.033 0.000 1.917 592 A HA -0.103 4.229 4.320 0.021 0.000 0.219 592 A C 0.863 178.475 177.584 0.048 0.000 1.182 592 A CA 1.344 53.376 52.037 -0.010 0.000 0.633 592 A CB -0.494 18.447 19.000 -0.100 0.000 0.819 592 A HN 0.146 nan 8.150 nan 0.000 0.448 593 I N 0.992 121.597 120.570 0.058 0.000 2.359 593 I HA 0.292 4.475 4.170 0.021 0.000 0.284 593 I C -2.514 173.668 176.117 0.107 0.000 1.018 593 I CA -3.269 58.074 61.300 0.071 0.000 1.173 593 I CB 0.584 38.616 38.000 0.053 0.000 1.326 593 I HN 0.014 nan 8.210 nan 0.000 0.462 594 P HA 0.098 nan 4.420 nan 0.000 0.263 594 P C -0.189 177.180 177.300 0.115 0.000 1.175 594 P CA 0.347 63.533 63.100 0.143 0.000 0.761 594 P CB 0.507 32.280 31.700 0.123 0.000 0.794 595 D N 0.499 120.974 120.400 0.126 0.000 3.120 595 D HA 0.109 4.761 4.640 0.021 0.000 0.331 595 D C 0.255 176.612 176.300 0.095 0.000 1.595 595 D CA -0.511 53.547 54.000 0.096 0.000 0.771 595 D CB -0.600 40.253 40.800 0.088 0.000 1.274 595 D HN 0.316 nan 8.370 nan 0.000 0.503 596 G N 0.361 109.226 108.800 0.107 0.000 2.356 596 G HA2 0.361 4.334 3.960 0.021 0.000 0.273 596 G HA3 0.361 4.334 3.960 0.021 0.000 0.273 596 G C -0.652 174.286 174.900 0.063 0.000 1.213 596 G CA -0.120 45.040 45.100 0.099 0.000 0.955 596 G HN 0.179 nan 8.290 nan 0.000 0.454 597 D N 1.918 122.347 120.400 0.048 0.000 2.375 597 D HA 0.285 4.937 4.640 0.021 0.000 0.247 597 D C 0.434 176.747 176.300 0.022 0.000 1.061 597 D CA -0.668 53.348 54.000 0.025 0.000 0.834 597 D CB 2.272 43.078 40.800 0.011 0.000 1.247 597 D HN 0.058 nan 8.370 nan 0.000 0.489 598 V N 3.693 123.612 119.914 0.008 0.000 3.565 598 V HA 0.103 4.236 4.120 0.021 0.000 0.260 598 V C 1.015 177.091 176.094 -0.030 0.000 1.231 598 V CA 0.200 62.501 62.300 0.001 0.000 1.100 598 V CB -0.214 31.608 31.823 -0.001 0.000 0.807 598 V HN 0.459 nan 8.190 nan 0.000 0.454 599 K N 0.383 120.756 120.400 -0.044 0.000 2.447 599 K HA 0.321 4.653 4.320 0.021 0.000 0.281 599 K C 1.125 177.679 176.600 -0.077 0.000 1.031 599 K CA 1.021 57.258 56.287 -0.083 0.000 1.019 599 K CB 0.265 32.723 32.500 -0.069 0.000 0.918 599 K HN 0.395 nan 8.250 nan 0.000 0.476 600 G N 3.253 111.968 108.800 -0.141 0.000 2.194 600 G HA2 -0.199 3.773 3.960 0.021 0.000 0.236 600 G HA3 -0.199 3.773 3.960 0.021 0.000 0.236 600 G C 0.084 175.007 174.900 0.039 0.000 0.987 600 G CA -0.350 44.731 45.100 -0.031 0.000 0.635 600 G HN 0.536 nan 8.290 nan 0.000 0.520 601 R N -0.162 120.336 120.500 -0.003 0.000 2.738 601 R HA 0.713 5.065 4.340 0.021 0.000 0.275 601 R C 0.084 176.435 176.300 0.085 0.000 1.121 601 R CA -0.206 55.932 56.100 0.063 0.000 1.207 601 R CB 0.860 31.193 30.300 0.055 0.000 1.141 601 R HN 0.644 nan 8.270 nan 0.000 0.571 602 V N 0.331 120.319 119.914 0.125 0.000 2.841 602 V HA 0.458 4.590 4.120 0.021 0.000 0.310 602 V C -1.156 175.007 176.094 0.115 0.000 1.090 602 V CA -0.751 61.639 62.300 0.150 0.000 0.930 602 V CB 2.533 34.474 31.823 0.197 0.000 1.014 602 V HN 0.347 nan 8.190 nan 0.000 0.425 603 V N 5.553 125.531 119.914 0.106 0.000 2.495 603 V HA 0.791 4.923 4.120 0.021 0.000 0.298 603 V C 0.429 176.581 176.094 0.096 0.000 1.031 603 V CA -0.233 62.119 62.300 0.086 0.000 0.871 603 V CB 1.642 33.503 31.823 0.062 0.000 0.988 603 V HN 1.154 nan 8.190 nan 0.000 0.432 604 A N 6.147 129.029 122.820 0.103 0.000 2.328 604 A HA 0.786 5.119 4.320 0.021 0.000 0.284 604 A C -0.438 177.156 177.584 0.017 0.000 1.160 604 A CA -0.251 51.838 52.037 0.087 0.000 0.818 604 A CB 0.099 19.191 19.000 0.153 0.000 1.087 604 A HN 0.779 nan 8.150 nan 0.000 0.504 605 I N 3.680 124.257 120.570 0.012 0.000 2.382 605 I HA 0.193 4.375 4.170 0.021 0.000 0.285 605 I C -0.591 175.535 176.117 0.015 0.000 1.007 605 I CA -0.220 61.086 61.300 0.011 0.000 1.142 605 I CB 1.335 39.356 38.000 0.035 0.000 1.289 605 I HN 0.490 nan 8.210 nan 0.000 0.453 606 L N 7.276 128.483 121.223 -0.027 0.000 2.342 606 L HA 0.387 4.739 4.340 0.021 0.000 0.285 606 L C -0.001 176.965 176.870 0.159 0.000 1.095 606 L CA -0.189 54.682 54.840 0.051 0.000 0.843 606 L CB -0.060 41.846 42.059 -0.256 0.000 1.201 606 L HN 0.459 nan 8.230 nan 0.000 0.445 607 L N 3.609 124.991 121.223 0.265 0.000 2.454 607 L HA 0.398 4.751 4.340 0.021 0.000 0.256 607 L C 0.154 177.186 176.870 0.271 0.000 1.136 607 L CA -0.503 54.430 54.840 0.155 0.000 0.804 607 L CB 1.246 43.301 42.059 -0.006 0.000 1.181 607 L HN 0.694 nan 8.230 nan 0.000 0.469 608 N N -2.195 116.550 118.700 0.074 0.000 3.038 608 N HA 0.252 5.004 4.740 0.021 0.000 0.307 608 N C -0.525 174.901 175.510 -0.139 0.000 1.441 608 N CA -0.714 52.419 53.050 0.137 0.000 0.772 608 N CB 0.646 39.230 38.487 0.162 0.000 1.651 608 N HN 0.525 nan 8.380 nan 0.000 0.593 609 D N -2.021 118.352 120.400 -0.044 0.000 2.340 609 D HA 0.022 4.675 4.640 0.021 0.000 0.220 609 D C -0.361 175.893 176.300 -0.076 0.000 1.039 609 D CA 0.512 54.438 54.000 -0.124 0.000 0.866 609 D CB -0.054 40.749 40.800 0.004 0.000 0.913 609 D HN 0.718 nan 8.370 nan 0.000 0.523 610 E N 0.623 120.795 120.200 -0.046 0.000 4.090 610 E HA 0.179 4.541 4.350 0.021 0.000 0.235 610 E C -1.044 175.536 176.600 -0.032 0.000 1.187 610 E CA -0.311 56.067 56.400 -0.037 0.000 1.308 610 E CB 1.103 30.792 29.700 -0.018 0.000 1.222 610 E HN -0.106 nan 8.360 nan 0.000 0.414 611 V N 1.711 121.597 119.914 -0.047 0.000 2.763 611 V HA 0.021 4.153 4.120 0.021 0.000 0.306 611 V C 0.972 177.045 176.094 -0.035 0.000 1.059 611 V CA 0.330 62.609 62.300 -0.036 0.000 1.138 611 V CB 0.778 32.574 31.823 -0.044 0.000 0.940 611 V HN 0.437 nan 8.190 nan 0.000 0.489 612 R N 3.278 123.758 120.500 -0.034 0.000 2.357 612 R HA 0.038 4.391 4.340 0.021 0.000 0.330 612 R C 1.622 177.897 176.300 -0.042 0.000 1.102 612 R CA 0.488 56.564 56.100 -0.040 0.000 0.974 612 R CB 0.270 30.541 30.300 -0.048 0.000 1.002 612 R HN 1.030 nan 8.270 nan 0.000 0.463 613 S N 3.184 118.862 115.700 -0.037 0.000 2.402 613 S HA -0.254 4.228 4.470 0.021 0.000 0.233 613 S C 1.938 176.517 174.600 -0.034 0.000 1.030 613 S CA 1.103 59.283 58.200 -0.034 0.000 1.003 613 S CB -0.118 63.065 63.200 -0.029 0.000 0.813 613 S HN 0.682 nan 8.310 nan 0.000 0.477 614 A N 2.212 125.009 122.820 -0.039 0.000 1.902 614 A HA -0.098 4.234 4.320 0.021 0.000 0.217 614 A C 1.979 179.530 177.584 -0.055 0.000 1.181 614 A CA 1.654 53.667 52.037 -0.042 0.000 0.623 614 A CB -0.872 18.102 19.000 -0.043 0.000 0.818 614 A HN 0.474 nan 8.150 nan 0.000 0.443 615 D N -0.152 120.203 120.400 -0.075 0.000 2.084 615 D HA -0.122 4.531 4.640 0.021 0.000 0.194 615 D C 1.931 178.191 176.300 -0.067 0.000 0.990 615 D CA 0.938 54.873 54.000 -0.108 0.000 0.826 615 D CB -0.438 40.277 40.800 -0.142 0.000 0.971 615 D HN 0.371 nan 8.370 nan 0.000 0.453 616 L N 0.358 121.554 121.223 -0.045 0.000 2.013 616 L HA -0.200 4.153 4.340 0.021 0.000 0.212 616 L C 2.428 179.291 176.870 -0.012 0.000 1.073 616 L CA 0.938 55.765 54.840 -0.022 0.000 0.753 616 L CB -0.180 41.866 42.059 -0.022 0.000 0.890 616 L HN 0.105 nan 8.230 nan 0.000 0.432 617 L N -1.069 120.144 121.223 -0.017 0.000 2.046 617 L HA -0.223 4.130 4.340 0.021 0.000 0.208 617 L C 2.803 179.671 176.870 -0.003 0.000 1.077 617 L CA 1.235 56.070 54.840 -0.009 0.000 0.747 617 L CB -0.795 41.257 42.059 -0.012 0.000 0.896 617 L HN 0.303 nan 8.230 nan 0.000 0.432 618 A N 0.362 123.176 122.820 -0.011 0.000 1.877 618 A HA -0.183 4.149 4.320 0.021 0.000 0.216 618 A C 2.194 179.793 177.584 0.024 0.000 1.186 618 A CA 1.492 53.530 52.037 0.001 0.000 0.620 618 A CB -0.614 18.375 19.000 -0.018 0.000 0.822 618 A HN 0.314 nan 8.150 nan 0.000 0.443 619 I N -0.321 120.263 120.570 0.023 0.000 2.076 619 I HA -0.285 3.897 4.170 0.021 0.000 0.237 619 I C 2.457 178.602 176.117 0.047 0.000 1.059 619 I CA 1.443 62.777 61.300 0.057 0.000 1.317 619 I CB -0.424 37.608 38.000 0.053 0.000 1.037 619 I HN 0.287 nan 8.210 nan 0.000 0.398 620 L N 0.332 121.574 121.223 0.032 0.000 2.079 620 L HA -0.249 4.104 4.340 0.021 0.000 0.210 620 L C 2.604 179.490 176.870 0.026 0.000 1.081 620 L CA 1.490 56.349 54.840 0.031 0.000 0.752 620 L CB -0.551 41.522 42.059 0.024 0.000 0.896 620 L HN 0.264 nan 8.230 nan 0.000 0.433 621 K N -0.038 120.375 120.400 0.021 0.000 2.103 621 K HA -0.097 4.235 4.320 0.021 0.000 0.204 621 K C 2.176 178.786 176.600 0.018 0.000 1.052 621 K CA 0.981 57.279 56.287 0.017 0.000 0.945 621 K CB 0.021 32.529 32.500 0.013 0.000 0.722 621 K HN 0.251 nan 8.250 nan 0.000 0.443 622 A N 1.329 124.164 122.820 0.026 0.000 1.902 622 A HA -0.132 4.200 4.320 0.021 0.000 0.217 622 A C 2.046 179.639 177.584 0.015 0.000 1.181 622 A CA 1.179 53.232 52.037 0.026 0.000 0.623 622 A CB -0.569 18.458 19.000 0.044 0.000 0.818 622 A HN 0.251 nan 8.150 nan 0.000 0.443 623 L N -0.683 120.551 121.223 0.018 0.000 2.017 623 L HA -0.185 4.168 4.340 0.021 0.000 0.208 623 L C 2.699 179.558 176.870 -0.019 0.000 1.073 623 L CA 1.694 56.535 54.840 0.002 0.000 0.745 623 L CB -0.544 41.526 42.059 0.017 0.000 0.894 623 L HN 0.334 nan 8.230 nan 0.000 0.432 624 K N 0.852 121.251 120.400 -0.002 0.000 2.103 624 K HA -0.193 4.140 4.320 0.021 0.000 0.207 624 K C 2.053 178.643 176.600 -0.017 0.000 1.048 624 K CA 1.633 57.916 56.287 -0.006 0.000 0.930 624 K CB -0.166 32.343 32.500 0.014 0.000 0.716 624 K HN 0.279 nan 8.250 nan 0.000 0.444 625 A N 1.408 124.223 122.820 -0.009 0.000 1.940 625 A HA -0.137 4.195 4.320 0.021 0.000 0.219 625 A C 1.702 179.273 177.584 -0.021 0.000 1.176 625 A CA 1.566 53.597 52.037 -0.010 0.000 0.631 625 A CB -0.161 18.838 19.000 -0.002 0.000 0.814 625 A HN 0.193 nan 8.150 nan 0.000 0.446 626 K N -1.342 119.039 120.400 -0.031 0.000 2.387 626 K HA 0.234 4.567 4.320 0.021 0.000 0.198 626 K C 0.982 177.537 176.600 -0.076 0.000 1.022 626 K CA 0.593 56.855 56.287 -0.041 0.000 1.128 626 K CB -0.216 32.265 32.500 -0.032 0.000 0.853 626 K HN 0.794 nan 8.250 nan 0.000 0.523 627 G N 1.335 110.075 108.800 -0.101 0.000 2.160 627 G HA2 -0.240 3.732 3.960 0.021 0.000 0.251 627 G HA3 -0.240 3.732 3.960 0.021 0.000 0.251 627 G C 0.076 174.766 174.900 -0.350 0.000 1.008 627 G CA 0.253 45.244 45.100 -0.182 0.000 0.724 627 G HN 0.129 nan 8.290 nan 0.000 0.514 628 V N 0.863 120.625 119.914 -0.252 0.000 2.465 628 V HA 0.470 4.602 4.120 0.021 0.000 0.279 628 V C 0.806 176.762 176.094 -0.230 0.000 1.045 628 V CA -0.652 61.503 62.300 -0.242 0.000 0.938 628 V CB 0.974 32.745 31.823 -0.086 0.000 0.986 628 V HN 0.452 nan 8.190 nan 0.000 0.467 629 H N 1.856 120.944 119.070 0.030 0.000 2.495 629 H HA 0.780 5.348 4.556 0.021 0.000 0.350 629 H C 0.203 175.556 175.328 0.043 0.000 1.202 629 H CA 0.032 56.100 56.048 0.034 0.000 1.322 629 H CB 1.303 31.087 29.762 0.037 0.000 1.544 629 H HN 0.847 nan 8.280 nan 0.000 0.565 630 A N 0.959 123.891 122.820 0.187 0.000 2.454 630 A HA 0.582 4.914 4.320 0.021 0.000 0.302 630 A C -1.230 176.416 177.584 0.103 0.000 1.079 630 A CA -1.075 51.033 52.037 0.118 0.000 0.731 630 A CB 1.273 20.324 19.000 0.084 0.000 1.299 630 A HN 0.786 nan 8.150 nan 0.000 0.413 631 K N 1.911 122.365 120.400 0.091 0.000 2.507 631 K HA 0.658 4.990 4.320 0.021 0.000 0.252 631 K C -1.500 175.138 176.600 0.063 0.000 0.943 631 K CA -0.473 55.861 56.287 0.078 0.000 0.808 631 K CB 1.615 34.172 32.500 0.094 0.000 1.142 631 K HN 0.473 nan 8.250 nan 0.000 0.426 632 L N 4.451 125.702 121.223 0.047 0.000 2.283 632 L HA 0.284 4.636 4.340 0.021 0.000 0.287 632 L C -0.702 176.190 176.870 0.037 0.000 1.073 632 L CA -0.936 53.926 54.840 0.037 0.000 0.822 632 L CB 0.131 42.201 42.059 0.017 0.000 1.186 632 L HN 0.465 nan 8.230 nan 0.000 0.436 633 L N 4.358 125.616 121.223 0.058 0.000 2.334 633 L HA 0.623 4.976 4.340 0.021 0.000 0.270 633 L C -0.420 176.439 176.870 -0.018 0.000 1.018 633 L CA -0.372 54.478 54.840 0.017 0.000 0.811 633 L CB 1.470 43.585 42.059 0.094 0.000 1.271 633 L HN 0.324 nan 8.230 nan 0.000 0.443 634 Y N -1.299 118.614 120.300 -0.645 0.000 2.853 634 Y HA 0.239 4.802 4.550 0.021 0.000 0.326 634 Y C 0.835 176.025 175.900 -1.184 0.000 1.384 634 Y CA -0.561 57.049 58.100 -0.817 0.000 1.077 634 Y CB 1.151 39.439 38.460 -0.287 0.000 1.395 634 Y HN 0.553 nan 8.280 nan 0.000 0.451 635 S N 0.868 115.667 115.700 -1.501 0.000 2.561 635 S HA 0.203 4.686 4.470 0.021 0.000 0.225 635 S C 0.137 174.431 174.600 -0.509 0.000 0.977 635 S CA 0.714 58.379 58.200 -0.893 0.000 0.926 635 S CB -0.224 62.532 63.200 -0.740 0.000 0.769 635 S HN 0.650 nan 8.310 nan 0.000 0.533 636 R N -1.655 118.617 120.500 -0.380 0.000 2.762 636 R HA 0.611 4.964 4.340 0.021 0.000 0.271 636 R C -0.767 175.511 176.300 -0.036 0.000 1.038 636 R CA -1.114 54.901 56.100 -0.142 0.000 0.906 636 R CB 0.404 30.664 30.300 -0.067 0.000 1.259 636 R HN -0.050 nan 8.270 nan 0.000 0.457 637 M N -0.025 119.566 119.600 -0.015 0.000 2.116 637 M HA 0.546 5.038 4.480 0.021 0.000 0.235 637 M C 0.952 177.270 176.300 0.029 0.000 1.193 637 M CA 0.863 56.166 55.300 0.005 0.000 0.959 637 M CB 0.485 33.081 32.600 -0.007 0.000 1.313 637 M HN 1.045 nan 8.290 nan 0.000 0.530 638 G N 0.703 109.513 108.800 0.017 0.000 2.464 638 G HA2 -0.129 3.843 3.960 0.021 0.000 0.216 638 G HA3 -0.129 3.843 3.960 0.021 0.000 0.216 638 G C -0.943 173.958 174.900 0.002 0.000 1.186 638 G CA -0.483 44.624 45.100 0.013 0.000 1.010 638 G HN 0.619 nan 8.290 nan 0.000 0.585 639 E N -1.245 118.950 120.200 -0.009 0.000 2.378 639 E HA 0.678 5.040 4.350 0.021 0.000 0.265 639 E C -0.471 176.081 176.600 -0.080 0.000 0.932 639 E CA -0.544 55.832 56.400 -0.040 0.000 0.795 639 E CB 2.760 32.440 29.700 -0.033 0.000 1.296 639 E HN 1.261 nan 8.360 nan 0.000 0.438 640 V N -1.866 117.969 119.914 -0.131 0.000 2.925 640 V HA 0.635 4.768 4.120 0.021 0.000 0.311 640 V C -0.646 175.371 176.094 -0.128 0.000 1.104 640 V CA -0.877 61.304 62.300 -0.198 0.000 0.954 640 V CB 1.814 33.397 31.823 -0.400 0.000 1.022 640 V HN 0.635 nan 8.190 nan 0.000 0.427 641 T N 3.180 117.671 114.554 -0.105 0.000 2.758 641 T HA 0.764 5.126 4.350 0.021 0.000 0.285 641 T C 0.505 175.163 174.700 -0.069 0.000 0.981 641 T CA 0.277 62.335 62.100 -0.070 0.000 0.965 641 T CB 1.358 70.197 68.868 -0.047 0.000 0.927 641 T HN 1.351 nan 8.240 nan 0.000 0.448 642 A N 2.698 125.483 122.820 -0.059 0.000 2.325 642 A HA 0.293 4.626 4.320 0.021 0.000 0.260 642 A C 1.664 179.224 177.584 -0.039 0.000 1.133 642 A CA -0.185 51.821 52.037 -0.052 0.000 0.801 642 A CB -0.014 18.960 19.000 -0.044 0.000 1.092 642 A HN 0.900 nan 8.150 nan 0.000 0.504 643 D N -0.175 120.204 120.400 -0.034 0.000 2.182 643 D HA -0.197 4.455 4.640 0.021 0.000 0.201 643 D C 0.642 176.928 176.300 -0.024 0.000 0.986 643 D CA 1.655 55.638 54.000 -0.027 0.000 0.847 643 D CB -0.377 40.408 40.800 -0.026 0.000 0.942 643 D HN 0.606 nan 8.370 nan 0.000 0.467 644 D N -1.501 118.884 120.400 -0.024 0.000 2.342 644 D HA 0.204 4.857 4.640 0.021 0.000 0.221 644 D C 1.588 177.876 176.300 -0.020 0.000 1.101 644 D CA 0.366 54.353 54.000 -0.020 0.000 0.837 644 D CB -0.069 40.720 40.800 -0.020 0.000 0.938 644 D HN 0.394 nan 8.370 nan 0.000 0.508 645 G N 0.084 108.870 108.800 -0.023 0.000 2.176 645 G HA2 -0.275 3.697 3.960 0.021 0.000 0.253 645 G HA3 -0.275 3.697 3.960 0.021 0.000 0.253 645 G C 0.441 175.327 174.900 -0.024 0.000 0.979 645 G CA 0.273 45.360 45.100 -0.022 0.000 0.641 645 G HN 0.433 nan 8.290 nan 0.000 0.530 646 T N 1.357 115.896 114.554 -0.025 0.000 2.867 646 T HA 0.391 4.753 4.350 0.021 0.000 0.297 646 T C 0.670 175.350 174.700 -0.032 0.000 0.989 646 T CA 0.124 62.208 62.100 -0.025 0.000 1.159 646 T CB 2.039 70.893 68.868 -0.025 0.000 0.928 646 T HN 0.428 nan 8.240 nan 0.000 0.538 647 V N 5.662 125.559 119.914 -0.029 0.000 2.408 647 V HA 0.192 4.325 4.120 0.021 0.000 0.267 647 V C -0.132 175.941 176.094 -0.036 0.000 1.047 647 V CA -0.660 61.620 62.300 -0.034 0.000 0.937 647 V CB 0.696 32.505 31.823 -0.025 0.000 0.999 647 V HN 0.550 nan 8.190 nan 0.000 0.472 648 L N 9.253 130.445 121.223 -0.051 0.000 2.287 648 L HA 0.524 4.876 4.340 0.021 0.000 0.287 648 L C -2.206 174.635 176.870 -0.049 0.000 1.022 648 L CA -2.612 52.198 54.840 -0.051 0.000 0.814 648 L CB 1.450 43.467 42.059 -0.071 0.000 1.217 648 L HN 0.409 nan 8.230 nan 0.000 0.420 649 P HA 0.267 nan 4.420 nan 0.000 0.282 649 P C -0.313 176.977 177.300 -0.015 0.000 1.262 649 P CA -0.184 62.905 63.100 -0.018 0.000 0.773 649 P CB 0.682 32.378 31.700 -0.007 0.000 0.879 650 I N 2.655 123.217 120.570 -0.012 0.000 2.371 650 I HA 0.191 4.373 4.170 0.021 0.000 0.290 650 I C 1.575 177.694 176.117 0.004 0.000 1.028 650 I CA -0.302 60.996 61.300 -0.002 0.000 1.345 650 I CB 1.299 39.307 38.000 0.013 0.000 1.407 650 I HN 0.358 nan 8.210 nan 0.000 0.501 651 A N 5.343 128.169 122.820 0.010 0.000 1.935 651 A HA 0.574 4.907 4.320 0.021 0.000 0.214 651 A C 0.978 178.571 177.584 0.015 0.000 1.178 651 A CA 1.169 53.217 52.037 0.017 0.000 0.640 651 A CB 0.057 19.075 19.000 0.030 0.000 0.825 651 A HN 0.807 nan 8.150 nan 0.000 0.447 652 A N -1.978 120.846 122.820 0.008 0.000 2.586 652 A HA 0.581 4.914 4.320 0.021 0.000 0.290 652 A C -0.048 177.503 177.584 -0.055 0.000 1.086 652 A CA 0.114 52.151 52.037 0.000 0.000 0.665 652 A CB -0.203 18.821 19.000 0.040 0.000 1.279 652 A HN 0.764 nan 8.150 nan 0.000 0.423 653 T N -1.714 112.797 114.554 -0.073 0.000 2.847 653 T HA 0.570 4.933 4.350 0.021 0.000 0.279 653 T C 0.900 175.553 174.700 -0.078 0.000 0.984 653 T CA 0.003 61.984 62.100 -0.199 0.000 0.988 653 T CB 0.131 68.908 68.868 -0.153 0.000 1.040 653 T HN 0.470 nan 8.240 nan 0.000 0.528 654 F N 0.448 120.426 119.950 0.047 0.000 2.126 654 F HA 0.011 4.551 4.527 0.021 0.000 0.299 654 F C 2.949 178.879 175.800 0.216 0.000 1.096 654 F CA 0.843 58.930 58.000 0.145 0.000 1.255 654 F CB -0.600 38.462 39.000 0.102 0.000 0.997 654 F HN 0.701 nan 8.300 nan 0.000 0.479 655 A N 0.345 123.322 122.820 0.262 0.000 1.968 655 A HA 0.048 4.381 4.320 0.021 0.000 0.217 655 A C 2.429 180.078 177.584 0.109 0.000 1.169 655 A CA 1.354 53.488 52.037 0.162 0.000 0.638 655 A CB -1.387 17.669 19.000 0.093 0.000 0.812 655 A HN 0.385 nan 8.150 nan 0.000 0.446 656 G N -0.860 107.992 108.800 0.088 0.000 2.443 656 G HA2 0.260 4.233 3.960 0.021 0.000 0.219 656 G HA3 0.260 4.233 3.960 0.021 0.000 0.219 656 G C 0.657 175.606 174.900 0.082 0.000 1.131 656 G CA 1.014 46.150 45.100 0.060 0.000 0.775 656 G HN 1.122 nan 8.290 nan 0.000 0.547 657 A N 0.756 123.661 122.820 0.142 0.000 3.216 657 A HA 0.672 5.005 4.320 0.021 0.000 0.321 657 A C -2.628 175.086 177.584 0.217 0.000 1.042 657 A CA -1.113 51.017 52.037 0.155 0.000 0.838 657 A CB 1.136 20.234 19.000 0.163 0.000 1.136 657 A HN 0.100 nan 8.150 nan 0.000 0.483 658 P HA -0.013 nan 4.420 nan 0.000 0.270 658 P C 1.377 178.483 177.300 -0.324 0.000 1.221 658 P CA 0.627 63.648 63.100 -0.132 0.000 0.788 658 P CB 0.690 32.314 31.700 -0.127 0.000 0.904 659 S N 1.075 116.243 115.700 -0.887 0.000 2.419 659 S HA -0.169 4.314 4.470 0.021 0.000 0.235 659 S C 1.816 176.253 174.600 -0.271 0.000 1.019 659 S CA 1.118 58.919 58.200 -0.666 0.000 0.982 659 S CB -1.364 61.361 63.200 -0.791 0.000 0.789 659 S HN 0.368 nan 8.310 nan 0.000 0.490 660 L N 1.842 122.914 121.223 -0.252 0.000 2.129 660 L HA -0.110 4.242 4.340 0.021 0.000 0.212 660 L C 3.025 179.693 176.870 -0.337 0.000 1.087 660 L CA 1.698 56.383 54.840 -0.260 0.000 0.757 660 L CB -1.534 40.350 42.059 -0.293 0.000 0.896 660 L HN 0.635 nan 8.230 nan 0.000 0.434 661 T N -3.139 111.269 114.554 -0.243 0.000 3.113 661 T HA 0.159 4.522 4.350 0.021 0.000 0.256 661 T C 0.534 175.289 174.700 0.091 0.000 1.131 661 T CA 0.272 62.287 62.100 -0.142 0.000 1.074 661 T CB -0.456 68.457 68.868 0.076 0.000 0.944 661 T HN 0.184 nan 8.240 nan 0.000 0.516 662 V N -2.253 117.691 119.914 0.051 0.000 3.166 662 V HA 0.579 4.711 4.120 0.021 0.000 0.317 662 V C -0.029 176.107 176.094 0.069 0.000 1.136 662 V CA -0.915 61.453 62.300 0.114 0.000 1.035 662 V CB 1.957 33.866 31.823 0.144 0.000 1.110 662 V HN 0.020 nan 8.190 nan 0.000 0.450 663 D N 0.519 120.965 120.400 0.076 0.000 2.417 663 D HA 0.530 5.182 4.640 0.021 0.000 0.207 663 D C 0.461 176.750 176.300 -0.020 0.000 1.075 663 D CA 1.272 55.293 54.000 0.034 0.000 0.851 663 D CB 1.608 42.453 40.800 0.075 0.000 0.976 663 D HN 0.965 nan 8.370 nan 0.000 0.505 664 A N 0.265 123.090 122.820 0.008 0.000 2.608 664 A HA 0.542 4.874 4.320 0.021 0.000 0.292 664 A C -1.572 176.031 177.584 0.030 0.000 1.066 664 A CA -0.528 51.502 52.037 -0.013 0.000 0.676 664 A CB 1.509 20.492 19.000 -0.029 0.000 1.277 664 A HN -0.106 nan 8.150 nan 0.000 0.413 665 V N 1.267 121.191 119.914 0.017 0.000 2.656 665 V HA 0.593 4.726 4.120 0.021 0.000 0.307 665 V C -0.664 175.432 176.094 0.004 0.000 1.051 665 V CA -0.254 62.063 62.300 0.028 0.000 0.893 665 V CB 1.640 33.493 31.823 0.049 0.000 0.999 665 V HN 0.711 nan 8.190 nan 0.000 0.426 666 I N 4.049 124.627 120.570 0.014 0.000 2.465 666 I HA 0.535 4.717 4.170 0.021 0.000 0.291 666 I C -0.914 175.222 176.117 0.031 0.000 1.014 666 I CA -0.894 60.445 61.300 0.063 0.000 1.093 666 I CB 2.329 40.403 38.000 0.122 0.000 1.267 666 I HN 0.288 nan 8.210 nan 0.000 0.431 667 V N 7.639 127.588 119.914 0.059 0.000 2.325 667 V HA 0.319 4.452 4.120 0.021 0.000 0.280 667 V C -2.204 173.938 176.094 0.080 0.000 1.016 667 V CA -1.663 60.661 62.300 0.039 0.000 0.818 667 V CB 1.117 32.949 31.823 0.015 0.000 1.019 667 V HN 0.538 nan 8.190 nan 0.000 0.434 668 P HA 0.152 nan 4.420 nan 0.000 0.274 668 P C 0.257 177.562 177.300 0.009 0.000 1.237 668 P CA -0.255 62.843 63.100 -0.004 0.000 0.793 668 P CB 0.886 32.576 31.700 -0.018 0.000 0.977 669 C N 1.651 120.931 119.300 -0.034 0.000 2.727 669 C HA 0.644 5.116 4.460 0.021 0.000 0.401 669 C C 1.056 176.040 174.990 -0.010 0.000 1.294 669 C CA 1.655 60.660 59.018 -0.022 0.000 2.134 669 C CB -1.377 26.329 27.740 -0.056 0.000 2.724 669 C HN 0.910 nan 8.230 nan 0.000 0.677 670 G N 2.478 111.276 108.800 -0.003 0.000 2.403 670 G HA2 0.047 4.019 3.960 0.021 0.000 0.223 670 G HA3 0.047 4.019 3.960 0.021 0.000 0.223 670 G C -0.883 174.022 174.900 0.008 0.000 1.287 670 G CA -0.139 44.961 45.100 -0.001 0.000 0.982 670 G HN 1.037 nan 8.290 nan 0.000 0.471 671 N N 1.324 120.035 118.700 0.017 0.000 2.605 671 N HA 0.156 4.908 4.740 0.021 0.000 0.258 671 N C 1.221 176.759 175.510 0.046 0.000 1.156 671 N CA -0.634 52.430 53.050 0.024 0.000 1.008 671 N CB -0.032 38.471 38.487 0.028 0.000 1.354 671 N HN 0.342 nan 8.380 nan 0.000 0.509 672 I N 2.202 122.785 120.570 0.022 0.000 2.546 672 I HA -0.163 4.020 4.170 0.021 0.000 0.255 672 I C 2.366 178.476 176.117 -0.011 0.000 1.163 672 I CA 0.663 61.972 61.300 0.016 0.000 1.457 672 I CB -1.325 36.642 38.000 -0.053 0.000 1.092 672 I HN 0.504 nan 8.210 nan 0.000 0.434 673 A N 0.712 123.520 122.820 -0.020 0.000 2.070 673 A HA -0.262 4.070 4.320 0.021 0.000 0.220 673 A C 2.025 179.628 177.584 0.031 0.000 1.159 673 A CA 1.874 53.900 52.037 -0.018 0.000 0.656 673 A CB -0.690 18.298 19.000 -0.019 0.000 0.800 673 A HN 0.427 nan 8.150 nan 0.000 0.453 674 D N 0.408 120.852 120.400 0.073 0.000 2.182 674 D HA -0.160 4.493 4.640 0.021 0.000 0.201 674 D C 1.449 177.842 176.300 0.155 0.000 0.986 674 D CA 1.785 55.859 54.000 0.123 0.000 0.847 674 D CB -0.176 40.729 40.800 0.175 0.000 0.942 674 D HN 0.655 nan 8.370 nan 0.000 0.467 675 I N -4.580 116.098 120.570 0.180 0.000 4.338 675 I HA 0.506 4.689 4.170 0.021 0.000 0.329 675 I C 1.790 178.039 176.117 0.219 0.000 1.378 675 I CA -0.148 61.291 61.300 0.230 0.000 1.170 675 I CB 0.132 38.333 38.000 0.335 0.000 1.206 675 I HN -0.089 nan 8.210 nan 0.000 0.432 676 A N 1.664 124.529 122.820 0.074 0.000 1.940 676 A HA -0.188 4.144 4.320 0.021 0.000 0.219 676 A C 1.269 178.852 177.584 -0.003 0.000 1.176 676 A CA 2.231 54.205 52.037 -0.105 0.000 0.631 676 A CB -0.557 18.324 19.000 -0.198 0.000 0.814 676 A HN 0.502 nan 8.150 nan 0.000 0.446 677 D N -0.638 119.781 120.400 0.032 0.000 2.525 677 D HA 0.089 4.741 4.640 0.021 0.000 0.229 677 D C -0.157 176.181 176.300 0.065 0.000 1.202 677 D CA -0.210 53.813 54.000 0.038 0.000 0.828 677 D CB -0.120 40.687 40.800 0.013 0.000 1.008 677 D HN 0.329 nan 8.370 nan 0.000 0.493 678 N N 0.602 119.363 118.700 0.101 0.000 2.406 678 N HA 0.079 4.832 4.740 0.021 0.000 0.251 678 N C 1.401 176.971 175.510 0.100 0.000 1.069 678 N CA -0.063 53.050 53.050 0.105 0.000 0.947 678 N CB 1.386 39.962 38.487 0.148 0.000 1.111 678 N HN 0.105 nan 8.380 nan 0.000 0.497 679 G N 3.475 112.324 108.800 0.082 0.000 2.476 679 G HA2 -0.301 3.672 3.960 0.021 0.000 0.218 679 G HA3 -0.301 3.672 3.960 0.021 0.000 0.218 679 G C 0.978 175.942 174.900 0.107 0.000 1.164 679 G CA 0.708 45.857 45.100 0.081 0.000 0.768 679 G HN 0.585 nan 8.290 nan 0.000 0.560 680 D N 0.915 121.390 120.400 0.124 0.000 2.104 680 D HA -0.062 4.590 4.640 0.021 0.000 0.194 680 D C 2.840 179.182 176.300 0.070 0.000 0.994 680 D CA 1.429 55.536 54.000 0.179 0.000 0.830 680 D CB -0.611 40.353 40.800 0.273 0.000 0.959 680 D HN 0.316 nan 8.370 nan 0.000 0.452 681 A N 1.004 123.725 122.820 -0.164 0.000 1.902 681 A HA -0.210 4.122 4.320 0.021 0.000 0.217 681 A C 2.023 179.395 177.584 -0.353 0.000 1.181 681 A CA 1.448 53.107 52.037 -0.630 0.000 0.623 681 A CB -0.537 18.037 19.000 -0.710 0.000 0.818 681 A HN 0.179 nan 8.150 nan 0.000 0.443 682 N N -1.505 117.141 118.700 -0.090 0.000 2.058 682 N HA -0.196 4.557 4.740 0.021 0.000 0.191 682 N C 1.746 177.248 175.510 -0.014 0.000 1.037 682 N CA 1.859 54.906 53.050 -0.004 0.000 0.848 682 N CB -0.499 38.067 38.487 0.131 0.000 1.021 682 N HN 0.683 nan 8.380 nan 0.000 0.422 683 Y N 0.663 120.933 120.300 -0.049 0.000 2.224 683 Y HA -0.293 4.269 4.550 0.021 0.000 0.289 683 Y C 2.428 178.288 175.900 -0.067 0.000 1.146 683 Y CA 1.299 59.368 58.100 -0.052 0.000 1.182 683 Y CB -0.353 38.085 38.460 -0.038 0.000 0.983 683 Y HN 0.050 nan 8.280 nan 0.000 0.524 684 Y N 0.429 120.594 120.300 -0.226 0.000 2.114 684 Y HA -0.347 4.216 4.550 0.021 0.000 0.282 684 Y C 2.103 177.788 175.900 -0.357 0.000 1.165 684 Y CA 2.246 60.173 58.100 -0.288 0.000 1.148 684 Y CB -0.549 37.731 38.460 -0.299 0.000 0.972 684 Y HN 0.121 nan 8.280 nan 0.000 0.504 685 L N -1.175 119.971 121.223 -0.128 0.000 2.093 685 L HA -0.255 4.098 4.340 0.021 0.000 0.208 685 L C 2.428 179.177 176.870 -0.201 0.000 1.085 685 L CA 1.356 56.097 54.840 -0.165 0.000 0.755 685 L CB -0.516 41.399 42.059 -0.241 0.000 0.904 685 L HN 0.296 nan 8.230 nan 0.000 0.435 686 M N -0.560 118.867 119.600 -0.289 0.000 2.117 686 M HA -0.221 4.272 4.480 0.021 0.000 0.262 686 M C 2.285 178.332 176.300 -0.421 0.000 1.065 686 M CA 1.707 56.834 55.300 -0.288 0.000 1.114 686 M CB -0.316 32.138 32.600 -0.243 0.000 1.361 686 M HN 0.197 nan 8.290 nan 0.000 0.408 687 E N 0.387 120.131 120.200 -0.759 0.000 2.051 687 E HA -0.200 4.163 4.350 0.021 0.000 0.192 687 E C 1.955 178.191 176.600 -0.606 0.000 0.991 687 E CA 1.389 57.312 56.400 -0.796 0.000 0.799 687 E CB 0.002 29.184 29.700 -0.864 0.000 0.748 687 E HN 0.486 nan 8.360 nan 0.000 0.449 688 A N 0.081 122.672 122.820 -0.382 0.000 1.969 688 A HA -0.186 4.147 4.320 0.021 0.000 0.218 688 A C 1.997 179.479 177.584 -0.170 0.000 1.169 688 A CA 1.292 53.197 52.037 -0.219 0.000 0.635 688 A CB -0.800 18.129 19.000 -0.119 0.000 0.810 688 A HN 0.553 nan 8.150 nan 0.000 0.445 689 Y N 0.600 120.744 120.300 -0.259 0.000 2.181 689 Y HA -0.187 4.375 4.550 0.021 0.000 0.288 689 Y C 2.356 178.133 175.900 -0.206 0.000 1.146 689 Y CA 2.285 60.263 58.100 -0.205 0.000 1.164 689 Y CB -0.166 38.190 38.460 -0.174 0.000 0.982 689 Y HN 0.312 nan 8.280 nan 0.000 0.515 690 K N -0.706 119.559 120.400 -0.224 0.000 2.097 690 K HA -0.187 4.145 4.320 0.021 0.000 0.205 690 K C 0.846 177.316 176.600 -0.216 0.000 1.050 690 K CA 1.803 57.934 56.287 -0.260 0.000 0.938 690 K CB -0.387 31.920 32.500 -0.323 0.000 0.718 690 K HN 0.556 nan 8.250 nan 0.000 0.442 691 H N 0.675 119.624 119.070 -0.202 0.000 2.567 691 H HA 0.187 4.755 4.556 0.021 0.000 0.294 691 H C -0.142 175.024 175.328 -0.270 0.000 1.050 691 H CA 0.000 55.927 56.048 -0.202 0.000 1.168 691 H CB -0.002 29.638 29.762 -0.203 0.000 1.422 691 H HN 0.114 nan 8.280 nan 0.000 0.562 692 L N -0.027 121.048 121.223 -0.247 0.000 4.001 692 L HA -0.304 4.049 4.340 0.021 0.000 0.413 692 L C -0.307 176.299 176.870 -0.441 0.000 1.185 692 L CA 0.706 55.304 54.840 -0.402 0.000 0.963 692 L CB -1.769 40.014 42.059 -0.460 0.000 1.976 692 L HN 0.335 nan 8.230 nan 0.000 0.939 693 K N 0.727 120.936 120.400 -0.319 0.000 2.174 693 K HA 0.466 4.798 4.320 0.021 0.000 0.275 693 K C -2.104 174.366 176.600 -0.217 0.000 1.015 693 K CA -1.844 54.281 56.287 -0.272 0.000 0.933 693 K CB 0.665 33.060 32.500 -0.174 0.000 1.025 693 K HN -0.198 nan 8.250 nan 0.000 0.463 694 P HA 0.034 nan 4.420 nan 0.000 0.265 694 P C -0.753 176.487 177.300 -0.100 0.000 1.193 694 P CA 0.433 63.438 63.100 -0.157 0.000 0.765 694 P CB 0.413 32.021 31.700 -0.153 0.000 0.823 695 I N 1.751 122.275 120.570 -0.077 0.000 2.533 695 I HA 0.614 4.796 4.170 0.021 0.000 0.290 695 I C -0.371 175.708 176.117 -0.063 0.000 1.056 695 I CA -0.887 60.386 61.300 -0.044 0.000 1.057 695 I CB 2.247 40.246 38.000 -0.002 0.000 1.240 695 I HN 0.258 nan 8.210 nan 0.000 0.423 696 A N 7.660 130.455 122.820 -0.042 0.000 2.343 696 A HA 0.869 5.202 4.320 0.021 0.000 0.308 696 A C -1.098 176.603 177.584 0.195 0.000 1.092 696 A CA -0.435 51.572 52.037 -0.050 0.000 0.751 696 A CB 0.997 19.846 19.000 -0.251 0.000 1.203 696 A HN 0.670 nan 8.150 nan 0.000 0.452 697 L N 2.361 123.742 121.223 0.264 0.000 2.343 697 L HA 0.706 5.059 4.340 0.021 0.000 0.278 697 L C 0.279 177.343 176.870 0.324 0.000 0.996 697 L CA -0.561 54.437 54.840 0.263 0.000 0.831 697 L CB 1.897 44.057 42.059 0.168 0.000 1.232 697 L HN 0.772 nan 8.230 nan 0.000 0.413 698 A N 2.406 125.325 122.820 0.164 0.000 2.304 698 A HA 0.830 5.162 4.320 0.021 0.000 0.323 698 A C 0.711 178.281 177.584 -0.024 0.000 1.195 698 A CA 0.334 52.339 52.037 -0.053 0.000 0.826 698 A CB 1.108 19.892 19.000 -0.360 0.000 1.184 698 A HN 0.986 nan 8.150 nan 0.000 0.496 699 G N 1.989 110.771 108.800 -0.030 0.000 2.622 699 G HA2 -0.337 3.635 3.960 0.021 0.000 0.307 699 G HA3 -0.337 3.635 3.960 0.021 0.000 0.307 699 G C 0.495 175.395 174.900 -0.001 0.000 1.226 699 G CA 0.762 45.848 45.100 -0.022 0.000 0.997 699 G HN 0.705 nan 8.290 nan 0.000 0.551 700 D N 1.576 121.970 120.400 -0.011 0.000 2.378 700 D HA 0.226 4.878 4.640 0.021 0.000 0.222 700 D C 2.460 178.749 176.300 -0.018 0.000 0.980 700 D CA 1.298 55.284 54.000 -0.023 0.000 0.907 700 D CB -0.519 40.258 40.800 -0.037 0.000 0.899 700 D HN 0.745 nan 8.370 nan 0.000 0.527 701 A N 0.514 123.363 122.820 0.049 0.000 2.168 701 A HA -0.113 4.219 4.320 0.021 0.000 0.215 701 A C 2.045 179.733 177.584 0.174 0.000 1.152 701 A CA 0.465 52.601 52.037 0.166 0.000 0.716 701 A CB -0.292 18.828 19.000 0.200 0.000 0.794 701 A HN 0.103 nan 8.150 nan 0.000 0.465 702 R N -0.127 120.422 120.500 0.082 0.000 2.241 702 R HA -0.079 4.274 4.340 0.021 0.000 0.224 702 R C 1.689 177.993 176.300 0.006 0.000 1.101 702 R CA 1.185 57.321 56.100 0.061 0.000 0.995 702 R CB -0.168 30.156 30.300 0.040 0.000 0.870 702 R HN 0.514 nan 8.270 nan 0.000 0.463 703 K N -0.107 120.247 120.400 -0.076 0.000 2.147 703 K HA -0.129 4.204 4.320 0.021 0.000 0.205 703 K C 1.438 177.926 176.600 -0.187 0.000 1.049 703 K CA 1.298 57.482 56.287 -0.171 0.000 0.936 703 K CB -0.120 32.207 32.500 -0.289 0.000 0.722 703 K HN 0.160 nan 8.250 nan 0.000 0.446 704 F N 1.631 121.556 119.950 -0.043 0.000 2.408 704 F HA -0.154 4.385 4.527 0.021 0.000 0.300 704 F C 1.949 177.699 175.800 -0.083 0.000 1.090 704 F CA 0.856 58.819 58.000 -0.062 0.000 1.427 704 F CB -0.043 38.918 39.000 -0.065 0.000 1.070 704 F HN -0.027 nan 8.300 nan 0.000 0.549 705 K N 0.249 120.695 120.400 0.077 0.000 2.113 705 K HA -0.216 4.117 4.320 0.021 0.000 0.208 705 K C 2.272 178.845 176.600 -0.045 0.000 1.047 705 K CA 1.286 57.569 56.287 -0.006 0.000 0.928 705 K CB -0.407 32.086 32.500 -0.011 0.000 0.716 705 K HN 0.264 nan 8.250 nan 0.000 0.446 706 A N 0.761 123.562 122.820 -0.032 0.000 2.067 706 A HA -0.110 4.223 4.320 0.021 0.000 0.219 706 A C 2.066 179.627 177.584 -0.037 0.000 1.158 706 A CA 1.645 53.657 52.037 -0.042 0.000 0.661 706 A CB -0.629 18.346 19.000 -0.042 0.000 0.801 706 A HN 0.244 nan 8.150 nan 0.000 0.452 707 T N 0.880 115.432 114.554 -0.004 0.000 2.777 707 T HA -0.093 4.269 4.350 0.021 0.000 0.266 707 T C 1.536 176.182 174.700 -0.091 0.000 1.040 707 T CA 1.608 63.710 62.100 0.004 0.000 1.141 707 T CB -0.462 68.470 68.868 0.106 0.000 0.868 707 T HN 0.716 nan 8.240 nan 0.000 0.444 708 I N -1.912 118.547 120.570 -0.185 0.000 3.861 708 I HA 0.345 4.528 4.170 0.021 0.000 0.329 708 I C -0.207 175.662 176.117 -0.414 0.000 1.321 708 I CA -0.305 60.741 61.300 -0.423 0.000 1.126 708 I CB -0.066 37.479 38.000 -0.758 0.000 1.018 708 I HN -0.119 nan 8.210 nan 0.000 0.407 709 K N 1.545 121.820 120.400 -0.208 0.000 3.167 709 K HA -0.106 4.227 4.320 0.021 0.000 0.272 709 K C -0.335 176.190 176.600 -0.125 0.000 1.137 709 K CA 0.469 56.676 56.287 -0.133 0.000 0.800 709 K CB -1.774 30.668 32.500 -0.097 0.000 1.253 709 K HN 0.387 nan 8.250 nan 0.000 0.497 710 I N 0.598 121.090 120.570 -0.131 0.000 2.371 710 I HA 0.263 4.445 4.170 0.021 0.000 0.290 710 I C 1.525 177.619 176.117 -0.038 0.000 1.028 710 I CA -1.016 60.237 61.300 -0.078 0.000 1.345 710 I CB 0.610 38.566 38.000 -0.073 0.000 1.407 710 I HN 0.217 nan 8.210 nan 0.000 0.501 711 A N 5.183 127.992 122.820 -0.018 0.000 2.429 711 A HA 0.063 4.395 4.320 0.021 0.000 0.242 711 A C 1.113 178.692 177.584 -0.008 0.000 1.088 711 A CA -0.048 51.983 52.037 -0.010 0.000 0.784 711 A CB 0.104 19.103 19.000 -0.001 0.000 1.038 711 A HN 0.755 nan 8.150 nan 0.000 0.501 712 D N -0.208 120.188 120.400 -0.006 0.000 2.117 712 D HA -0.162 4.491 4.640 0.021 0.000 0.197 712 D C 1.931 178.231 176.300 0.001 0.000 0.987 712 D CA 1.742 55.740 54.000 -0.004 0.000 0.829 712 D CB -0.144 40.653 40.800 -0.004 0.000 0.961 712 D HN 0.712 nan 8.370 nan 0.000 0.460 713 Q N 1.124 120.925 119.800 0.002 0.000 2.437 713 Q HA -0.004 4.349 4.340 0.021 0.000 0.210 713 Q C 0.718 176.721 176.000 0.005 0.000 0.972 713 Q CA 1.314 57.120 55.803 0.004 0.000 0.903 713 Q CB -0.013 28.728 28.738 0.004 0.000 0.967 713 Q HN 0.213 nan 8.270 nan 0.000 0.486 714 G N 0.999 109.802 108.800 0.005 0.000 2.610 714 G HA2 -0.209 3.764 3.960 0.021 0.000 0.304 714 G HA3 -0.209 3.764 3.960 0.021 0.000 0.304 714 G C -1.285 173.620 174.900 0.008 0.000 1.309 714 G CA -0.169 44.934 45.100 0.005 0.000 0.906 714 G HN 0.585 nan 8.290 nan 0.000 0.521 715 E N -0.926 119.279 120.200 0.008 0.000 2.378 715 E HA 0.486 4.849 4.350 0.021 0.000 0.283 715 E C -0.568 176.031 176.600 -0.003 0.000 0.979 715 E CA -0.748 55.659 56.400 0.012 0.000 0.795 715 E CB 1.124 30.846 29.700 0.037 0.000 1.221 715 E HN 0.638 nan 8.360 nan 0.000 0.428 716 E N 0.930 121.120 120.200 -0.017 0.000 2.608 716 E HA 0.161 4.523 4.350 0.021 0.000 0.259 716 E C 0.715 177.279 176.600 -0.061 0.000 0.951 716 E CA 1.995 58.370 56.400 -0.042 0.000 0.945 716 E CB 0.535 30.207 29.700 -0.046 0.000 0.916 716 E HN 0.885 nan 8.360 nan 0.000 0.477 717 G N 3.225 111.973 108.800 -0.086 0.000 2.218 717 G HA2 -0.191 3.781 3.960 0.021 0.000 0.216 717 G HA3 -0.191 3.781 3.960 0.021 0.000 0.216 717 G C 0.048 174.899 174.900 -0.082 0.000 0.994 717 G CA -0.407 44.623 45.100 -0.116 0.000 0.637 717 G HN 0.426 nan 8.290 nan 0.000 0.505 718 I N 2.101 122.642 120.570 -0.049 0.000 2.382 718 I HA 0.493 4.675 4.170 0.021 0.000 0.286 718 I C 0.395 176.463 176.117 -0.081 0.000 1.002 718 I CA -1.161 60.116 61.300 -0.038 0.000 1.135 718 I CB 1.376 39.383 38.000 0.011 0.000 1.288 718 I HN -0.101 nan 8.210 nan 0.000 0.448 719 V N 7.174 126.998 119.914 -0.150 0.000 2.465 719 V HA 0.400 4.533 4.120 0.021 0.000 0.279 719 V C 0.197 176.208 176.094 -0.137 0.000 1.045 719 V CA -0.415 61.730 62.300 -0.257 0.000 0.938 719 V CB 1.221 32.705 31.823 -0.565 0.000 0.986 719 V HN 0.887 nan 8.190 nan 0.000 0.467 720 E N 4.209 124.400 120.200 -0.015 0.000 2.335 720 E HA 0.859 5.222 4.350 0.021 0.000 0.280 720 E C -0.995 175.729 176.600 0.207 0.000 0.918 720 E CA -0.878 55.616 56.400 0.156 0.000 0.765 720 E CB 2.434 32.185 29.700 0.085 0.000 1.218 720 E HN 0.830 nan 8.360 nan 0.000 0.425 721 A N 2.092 125.076 122.820 0.273 0.000 2.540 721 A HA 0.366 4.698 4.320 0.021 0.000 0.291 721 A C -0.593 177.038 177.584 0.078 0.000 1.083 721 A CA -0.599 51.546 52.037 0.180 0.000 0.650 721 A CB 1.035 20.191 19.000 0.259 0.000 1.292 721 A HN 0.590 nan 8.150 nan 0.000 0.435 722 D N 0.393 120.809 120.400 0.027 0.000 2.219 722 D HA 0.075 4.727 4.640 0.021 0.000 0.205 722 D C 1.048 177.305 176.300 -0.070 0.000 0.970 722 D CA 2.195 56.186 54.000 -0.014 0.000 0.851 722 D CB 0.121 40.915 40.800 -0.011 0.000 0.943 722 D HN 0.813 nan 8.370 nan 0.000 0.488 723 S N -1.814 113.810 115.700 -0.127 0.000 2.656 723 S HA 0.615 5.098 4.470 0.021 0.000 0.273 723 S C -0.180 174.128 174.600 -0.486 0.000 1.168 723 S CA -0.393 57.666 58.200 -0.235 0.000 0.817 723 S CB 1.621 64.733 63.200 -0.147 0.000 1.146 723 S HN -0.085 nan 8.310 nan 0.000 0.475 724 A N 1.115 123.584 122.820 -0.585 0.000 2.346 724 A HA 0.299 4.632 4.320 0.021 0.000 0.242 724 A C 0.597 178.028 177.584 -0.254 0.000 1.323 724 A CA 0.159 51.715 52.037 -0.803 0.000 0.940 724 A CB -1.390 17.270 19.000 -0.567 0.000 0.943 724 A HN 0.817 nan 8.150 nan 0.000 0.501 725 D N -1.611 118.708 120.400 -0.135 0.000 2.539 725 D HA 0.478 5.130 4.640 0.021 0.000 0.276 725 D C 1.084 177.416 176.300 0.053 0.000 1.206 725 D CA 0.360 54.346 54.000 -0.023 0.000 1.081 725 D CB 0.092 40.874 40.800 -0.031 0.000 1.142 725 D HN 0.550 nan 8.370 nan 0.000 0.595 726 G N 0.321 109.148 108.800 0.044 0.000 2.651 726 G HA2 -0.360 3.613 3.960 0.021 0.000 0.315 726 G HA3 -0.360 3.613 3.960 0.021 0.000 0.315 726 G C 0.884 175.832 174.900 0.081 0.000 1.258 726 G CA 2.044 47.177 45.100 0.055 0.000 1.002 726 G HN 1.276 nan 8.290 nan 0.000 0.551 727 S N -0.078 115.675 115.700 0.089 0.000 2.593 727 S HA 0.337 4.820 4.470 0.021 0.000 0.217 727 S C 1.797 176.460 174.600 0.105 0.000 0.966 727 S CA 1.027 59.273 58.200 0.076 0.000 0.914 727 S CB -0.005 63.221 63.200 0.044 0.000 0.776 727 S HN 0.853 nan 8.310 nan 0.000 0.523 728 F N 2.503 122.451 119.950 -0.003 0.000 2.091 728 F HA -0.120 4.419 4.527 0.021 0.000 0.299 728 F C 2.212 178.010 175.800 -0.005 0.000 1.103 728 F CA 1.749 59.747 58.000 -0.003 0.000 1.228 728 F CB -0.179 38.820 39.000 -0.002 0.000 0.984 728 F HN 0.185 nan 8.300 nan 0.000 0.477 729 M N -0.337 119.396 119.600 0.221 0.000 2.288 729 M HA -0.106 4.387 4.480 0.021 0.000 0.266 729 M C 1.581 177.889 176.300 0.012 0.000 1.072 729 M CA 1.119 56.486 55.300 0.110 0.000 1.132 729 M CB -1.194 31.492 32.600 0.144 0.000 1.386 729 M HN 0.086 nan 8.290 nan 0.000 0.432 730 D N 0.540 120.950 120.400 0.016 0.000 2.149 730 D HA -0.107 4.546 4.640 0.021 0.000 0.201 730 D C 1.946 178.223 176.300 -0.038 0.000 0.972 730 D CA 1.014 55.011 54.000 -0.006 0.000 0.835 730 D CB -0.043 40.761 40.800 0.007 0.000 0.966 730 D HN 0.445 nan 8.370 nan 0.000 0.476 731 E N 0.213 120.372 120.200 -0.068 0.000 2.072 731 E HA -0.089 4.273 4.350 0.021 0.000 0.191 731 E C 2.026 178.544 176.600 -0.137 0.000 0.985 731 E CA 0.143 56.482 56.400 -0.102 0.000 0.801 731 E CB 0.005 29.629 29.700 -0.126 0.000 0.750 731 E HN 0.121 nan 8.360 nan 0.000 0.452 732 L N 1.046 122.156 121.223 -0.189 0.000 2.046 732 L HA -0.148 4.204 4.340 0.021 0.000 0.208 732 L C 2.013 178.821 176.870 -0.103 0.000 1.077 732 L CA 1.592 56.322 54.840 -0.184 0.000 0.747 732 L CB -0.482 41.441 42.059 -0.226 0.000 0.896 732 L HN 0.237 nan 8.230 nan 0.000 0.432 733 L N -0.598 120.584 121.223 -0.069 0.000 2.217 733 L HA -0.162 4.191 4.340 0.021 0.000 0.211 733 L C 2.380 179.229 176.870 -0.036 0.000 1.107 733 L CA 1.232 56.048 54.840 -0.039 0.000 0.783 733 L CB -0.564 41.483 42.059 -0.021 0.000 0.919 733 L HN 0.237 nan 8.230 nan 0.000 0.442 734 T N 0.047 114.575 114.554 -0.043 0.000 2.821 734 T HA -0.109 4.254 4.350 0.021 0.000 0.267 734 T C 1.941 176.614 174.700 -0.045 0.000 1.046 734 T CA 1.043 63.123 62.100 -0.033 0.000 1.139 734 T CB -0.141 68.706 68.868 -0.034 0.000 0.871 734 T HN 0.194 nan 8.240 nan 0.000 0.454 735 L N 0.280 121.458 121.223 -0.076 0.000 2.056 735 L HA -0.031 4.322 4.340 0.021 0.000 0.207 735 L C 2.707 179.519 176.870 -0.096 0.000 1.078 735 L CA 1.225 56.001 54.840 -0.107 0.000 0.749 735 L CB -0.567 41.408 42.059 -0.139 0.000 0.901 735 L HN 0.281 nan 8.230 nan 0.000 0.433 736 M N -0.623 118.937 119.600 -0.066 0.000 2.213 736 M HA -0.168 4.325 4.480 0.021 0.000 0.263 736 M C 2.499 178.810 176.300 0.018 0.000 1.062 736 M CA 1.682 56.963 55.300 -0.031 0.000 1.105 736 M CB -0.491 32.098 32.600 -0.019 0.000 1.385 736 M HN 0.325 nan 8.290 nan 0.000 0.417 737 A N 0.336 123.165 122.820 0.014 0.000 1.972 737 A HA 0.011 4.344 4.320 0.021 0.000 0.219 737 A C 2.163 179.794 177.584 0.079 0.000 1.169 737 A CA 1.756 53.819 52.037 0.043 0.000 0.635 737 A CB -0.663 18.355 19.000 0.029 0.000 0.810 737 A HN 0.502 nan 8.150 nan 0.000 0.446 738 A N -2.708 120.142 122.820 0.050 0.000 2.278 738 A HA 0.332 4.664 4.320 0.021 0.000 0.212 738 A C 0.954 178.589 177.584 0.085 0.000 1.213 738 A CA 1.308 53.391 52.037 0.077 0.000 0.840 738 A CB -0.525 18.478 19.000 0.005 0.000 0.866 738 A HN 0.946 nan 8.150 nan 0.000 0.489 739 H N -1.340 117.690 119.070 -0.066 0.000 4.856 739 H HA -0.185 4.383 4.556 0.021 0.000 0.059 739 H C 0.010 175.141 175.328 -0.330 0.000 0.596 739 H CA 2.376 58.367 56.048 -0.096 0.000 0.946 739 H CB -0.565 29.249 29.762 0.087 0.000 0.453 739 H HN 0.462 nan 8.280 nan 0.000 0.801 740 R N -0.274 119.707 120.500 -0.866 0.000 2.808 740 R HA 0.601 4.954 4.340 0.021 0.000 0.272 740 R C -0.732 174.723 176.300 -1.409 0.000 0.995 740 R CA -0.325 55.009 56.100 -1.277 0.000 0.917 740 R CB 1.783 31.007 30.300 -1.793 0.000 1.217 740 R HN 0.085 nan 8.270 nan 0.000 0.471 741 V N 2.583 121.900 119.914 -0.994 0.000 2.267 741 V HA 0.103 4.235 4.120 0.021 0.000 0.254 741 V C 0.593 176.281 176.094 -0.677 0.000 1.144 741 V CA -0.328 61.549 62.300 -0.704 0.000 0.992 741 V CB -0.160 31.399 31.823 -0.440 0.000 1.199 741 V HN 0.716 nan 8.190 nan 0.000 0.493 742 W N 1.782 122.806 121.300 -0.461 0.000 2.525 742 W HA -0.111 4.561 4.660 0.021 0.000 0.259 742 W C 2.421 178.726 176.519 -0.357 0.000 1.253 742 W CA 0.639 57.616 57.345 -0.613 0.000 1.262 742 W CB -0.310 28.387 29.460 -1.272 0.000 1.122 742 W HN 0.667 nan 8.180 nan 0.000 0.607 743 S N 0.564 116.211 115.700 -0.088 0.000 2.481 743 S HA -0.095 4.388 4.470 0.021 0.000 0.231 743 S C 1.711 176.275 174.600 -0.061 0.000 0.996 743 S CA 0.581 58.755 58.200 -0.043 0.000 0.942 743 S CB -0.336 62.840 63.200 -0.040 0.000 0.768 743 S HN 0.384 nan 8.310 nan 0.000 0.520 744 R N 0.708 121.130 120.500 -0.131 0.000 2.299 744 R HA 0.257 4.610 4.340 0.021 0.000 0.197 744 R C 1.704 177.931 176.300 -0.121 0.000 0.971 744 R CA 0.251 56.252 56.100 -0.165 0.000 1.030 744 R CB -0.381 29.712 30.300 -0.346 0.000 0.932 744 R HN 0.470 nan 8.270 nan 0.000 0.477 745 I N 2.015 122.555 120.570 -0.051 0.000 2.118 745 I HA -0.253 3.929 4.170 0.021 0.000 0.241 745 I C -0.763 175.376 176.117 0.036 0.000 1.070 745 I CA 1.497 62.811 61.300 0.023 0.000 1.327 745 I CB -1.074 36.983 38.000 0.095 0.000 1.034 745 I HN 0.164 nan 8.210 nan 0.000 0.405 746 P HA -0.179 nan 4.420 nan 0.000 0.217 746 P C 1.219 178.545 177.300 0.045 0.000 1.148 746 P CA 1.597 64.725 63.100 0.046 0.000 0.828 746 P CB -0.065 31.660 31.700 0.043 0.000 0.783 747 K N -0.078 120.342 120.400 0.034 0.000 2.217 747 K HA -0.010 4.322 4.320 0.021 0.000 0.202 747 K C 2.085 178.736 176.600 0.086 0.000 1.051 747 K CA 0.836 57.164 56.287 0.069 0.000 0.952 747 K CB -1.095 31.469 32.500 0.106 0.000 0.736 747 K HN 0.331 nan 8.250 nan 0.000 0.453 748 I N -1.827 118.762 120.570 0.030 0.000 2.761 748 I HA -0.127 4.055 4.170 0.021 0.000 0.261 748 I C 1.236 177.390 176.117 0.062 0.000 1.198 748 I CA 1.139 62.460 61.300 0.036 0.000 1.482 748 I CB -0.107 37.876 38.000 -0.029 0.000 1.100 748 I HN -0.046 nan 8.210 nan 0.000 0.445 749 D N 2.850 123.289 120.400 0.066 0.000 2.160 749 D HA -0.246 4.406 4.640 0.021 0.000 0.189 749 D C 1.822 178.163 176.300 0.068 0.000 1.003 749 D CA 2.828 56.871 54.000 0.073 0.000 0.846 749 D CB 0.023 40.864 40.800 0.069 0.000 0.949 749 D HN 0.624 nan 8.370 nan 0.000 0.446 750 K N 1.010 121.449 120.400 0.065 0.000 2.028 750 K HA 0.000 4.333 4.320 0.021 0.000 0.211 750 K C 1.060 177.696 176.600 0.060 0.000 1.034 750 K CA -0.436 55.885 56.287 0.058 0.000 0.999 750 K CB -0.886 31.644 32.500 0.051 0.000 1.060 750 K HN 0.065 nan 8.250 nan 0.000 0.451 751 I N 3.093 123.699 120.570 0.060 0.000 2.749 751 I HA -0.114 4.068 4.170 0.021 0.000 0.127 751 I C -2.173 173.977 176.117 0.055 0.000 0.884 751 I CA -0.106 61.229 61.300 0.058 0.000 2.785 751 I CB -0.018 38.032 38.000 0.085 0.000 0.569 751 I HN 0.580 nan 8.210 nan 0.000 0.352 752 P HA 0.449 nan 4.420 nan 0.000 0.256 752 P C -0.670 176.687 177.300 0.095 0.000 1.689 752 P CA -0.060 63.077 63.100 0.062 0.000 1.124 752 P CB 0.521 32.250 31.700 0.049 0.000 1.766 753 A N 0.000 122.881 122.820 0.101 0.000 2.254 753 A HA 0.000 4.333 4.320 0.021 0.000 0.244 753 A CA 0.000 52.147 52.037 0.183 0.000 0.836 753 A CB 0.000 19.029 19.000 0.048 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486