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 1ggh_1_B DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VAARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.285 176.300 -0.025 0.000 2.045 27 D CA 0.000 53.988 54.000 -0.019 0.000 0.868 27 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 28 S N 0.517 116.196 115.700 -0.034 0.000 2.532 28 S HA 0.153 4.569 4.470 -0.089 0.000 0.184 28 S C -0.050 174.513 174.600 -0.061 0.000 0.639 28 S CA -0.326 57.846 58.200 -0.048 0.000 0.834 28 S CB -0.662 62.512 63.200 -0.044 0.000 1.421 28 S HN 0.375 nan 8.310 nan 0.000 0.444 29 L N 2.021 123.199 121.223 -0.075 0.000 2.416 29 L HA 0.455 4.741 4.340 -0.089 0.000 0.216 29 L C 1.520 178.311 176.870 -0.131 0.000 1.098 29 L CA 0.516 55.308 54.840 -0.080 0.000 0.840 29 L CB -0.277 41.747 42.059 -0.059 0.000 0.981 29 L HN 0.679 nan 8.230 nan 0.000 0.462 30 A N 1.646 124.334 122.820 -0.220 0.000 2.425 30 A HA 0.320 4.586 4.320 -0.089 0.000 0.242 30 A C -2.028 175.398 177.584 -0.263 0.000 1.077 30 A CA -0.869 50.909 52.037 -0.431 0.000 0.781 30 A CB -0.611 17.837 19.000 -0.920 0.000 1.020 30 A HN -0.012 nan 8.150 nan 0.000 0.494 31 P HA 0.101 nan 4.420 nan 0.000 0.268 31 P C 0.034 177.304 177.300 -0.050 0.000 1.205 31 P CA 0.018 63.073 63.100 -0.075 0.000 0.771 31 P CB 0.886 32.580 31.700 -0.009 0.000 0.858 32 E N 1.534 121.720 120.200 -0.024 0.000 2.268 32 E HA -0.176 4.121 4.350 -0.089 0.000 0.195 32 E C 1.193 177.807 176.600 0.022 0.000 0.995 32 E CA 1.244 57.640 56.400 -0.006 0.000 0.836 32 E CB -0.489 29.206 29.700 -0.007 0.000 0.763 32 E HN 0.506 nan 8.360 nan 0.000 0.491 33 D N -1.239 119.180 120.400 0.031 0.000 2.378 33 D HA -0.006 4.580 4.640 -0.089 0.000 0.227 33 D C 1.236 177.583 176.300 0.078 0.000 1.012 33 D CA 0.858 54.885 54.000 0.045 0.000 0.905 33 D CB -0.478 40.343 40.800 0.035 0.000 0.895 33 D HN 0.186 nan 8.370 nan 0.000 0.532 34 G N 0.491 109.373 108.800 0.137 0.000 2.179 34 G HA2 -0.348 3.558 3.960 -0.089 0.000 0.257 34 G HA3 -0.348 3.558 3.960 -0.089 0.000 0.257 34 G C 0.884 175.906 174.900 0.203 0.000 1.010 34 G CA 0.885 46.129 45.100 0.240 0.000 0.736 34 G HN 0.754 nan 8.290 nan 0.000 0.513 35 S N 0.317 116.129 115.700 0.185 0.000 2.720 35 S HA 0.062 4.479 4.470 -0.089 0.000 0.222 35 S C 1.721 176.402 174.600 0.135 0.000 0.958 35 S CA 0.917 59.182 58.200 0.109 0.000 0.943 35 S CB -0.430 62.815 63.200 0.073 0.000 0.779 35 S HN 0.933 nan 8.310 nan 0.000 0.526 36 H N 0.032 119.109 119.070 0.012 0.000 2.562 36 H HA 0.398 4.901 4.556 -0.089 0.000 0.267 36 H C 0.475 175.815 175.328 0.020 0.000 0.959 36 H CA -0.235 55.821 56.048 0.014 0.000 1.204 36 H CB -0.192 29.577 29.762 0.012 0.000 1.430 36 H HN 0.254 nan 8.280 nan 0.000 0.545 37 R N 2.700 122.847 120.500 -0.589 0.000 2.295 37 R HA 0.369 4.656 4.340 -0.089 0.000 0.324 37 R C -2.556 173.641 176.300 -0.171 0.000 0.968 37 R CA -2.095 53.746 56.100 -0.430 0.000 0.837 37 R CB 1.049 30.986 30.300 -0.606 0.000 1.133 37 R HN 0.160 nan 8.270 nan 0.000 0.450 38 P HA 0.155 nan 4.420 nan 0.000 0.271 38 P C -0.967 176.323 177.300 -0.017 0.000 1.218 38 P CA -0.453 62.633 63.100 -0.023 0.000 0.780 38 P CB 1.013 32.723 31.700 0.017 0.000 0.901 39 A N 2.563 125.381 122.820 -0.003 0.000 2.511 39 A HA 0.398 4.664 4.320 -0.089 0.000 0.242 39 A C 0.951 178.545 177.584 0.017 0.000 1.069 39 A CA 0.049 52.088 52.037 0.004 0.000 0.763 39 A CB -0.383 18.622 19.000 0.009 0.000 1.001 39 A HN 0.574 nan 8.150 nan 0.000 0.498 40 A N 2.969 125.799 122.820 0.017 0.000 3.135 40 A HA 0.495 4.761 4.320 -0.089 0.000 0.253 40 A C 0.274 177.876 177.584 0.030 0.000 1.638 40 A CA 0.135 52.188 52.037 0.026 0.000 1.295 40 A CB -0.929 18.083 19.000 0.020 0.000 1.106 40 A HN 0.887 nan 8.150 nan 0.000 0.648 41 E N -0.633 119.587 120.200 0.034 0.000 2.392 41 E HA 0.500 4.797 4.350 -0.089 0.000 0.279 41 E C -3.237 173.387 176.600 0.040 0.000 0.964 41 E CA -2.567 53.855 56.400 0.036 0.000 0.777 41 E CB 1.039 30.755 29.700 0.027 0.000 1.249 41 E HN 0.041 nan 8.360 nan 0.000 0.449 42 P HA 0.015 nan 4.420 nan 0.000 0.262 42 P C -0.571 176.744 177.300 0.025 0.000 1.199 42 P CA 0.279 63.399 63.100 0.034 0.000 0.763 42 P CB 0.376 32.086 31.700 0.016 0.000 0.790 43 T N 1.121 115.688 114.554 0.023 0.000 2.906 43 T HA 0.634 4.931 4.350 -0.089 0.000 0.295 43 T C -2.953 171.735 174.700 -0.019 0.000 1.061 43 T CA -2.720 59.388 62.100 0.014 0.000 1.000 43 T CB 1.775 70.654 68.868 0.018 0.000 1.103 43 T HN 0.083 nan 8.240 nan 0.000 0.486 44 P HA 0.337 nan 4.420 nan 0.000 0.272 44 P C -2.763 174.412 177.300 -0.207 0.000 1.230 44 P CA -1.602 61.379 63.100 -0.198 0.000 0.788 44 P CB -0.978 30.689 31.700 -0.057 0.000 0.949 45 P HA 0.006 nan 4.420 nan 0.000 0.261 45 P C 1.136 178.386 177.300 -0.083 0.000 1.183 45 P CA 1.526 64.520 63.100 -0.176 0.000 0.761 45 P CB -0.383 31.197 31.700 -0.200 0.000 0.785 46 G N 2.969 111.751 108.800 -0.029 0.000 2.205 46 G HA2 -0.357 3.549 3.960 -0.089 0.000 0.261 46 G HA3 -0.357 3.549 3.960 -0.089 0.000 0.261 46 G C 1.160 176.061 174.900 0.001 0.000 0.980 46 G CA 0.447 45.544 45.100 -0.005 0.000 0.632 46 G HN 0.681 nan 8.290 nan 0.000 0.533 47 A N -1.105 121.712 122.820 -0.005 0.000 1.968 47 A HA 0.394 4.661 4.320 -0.089 0.000 0.217 47 A C 1.387 178.977 177.584 0.011 0.000 1.169 47 A CA 2.029 54.069 52.037 0.005 0.000 0.638 47 A CB -0.004 18.998 19.000 0.004 0.000 0.812 47 A HN 0.514 nan 8.150 nan 0.000 0.446 48 Q N -1.225 118.585 119.800 0.015 0.000 2.495 48 Q HA 0.436 4.723 4.340 -0.089 0.000 0.287 48 Q C -2.976 173.040 176.000 0.027 0.000 1.078 48 Q CA -2.061 53.755 55.803 0.021 0.000 0.793 48 Q CB 0.922 29.676 28.738 0.027 0.000 1.459 48 Q HN 0.050 nan 8.270 nan 0.000 0.422 49 P HA 0.067 nan 4.420 nan 0.000 0.271 49 P C -0.318 177.011 177.300 0.049 0.000 1.216 49 P CA 0.027 63.141 63.100 0.024 0.000 0.771 49 P CB 0.279 31.990 31.700 0.018 0.000 0.864 50 T N -0.052 114.530 114.554 0.047 0.000 2.802 50 T HA 0.584 4.881 4.350 -0.089 0.000 0.305 50 T C 0.054 174.838 174.700 0.139 0.000 1.053 50 T CA -0.497 61.678 62.100 0.126 0.000 1.058 50 T CB 0.633 69.510 68.868 0.016 0.000 0.988 50 T HN 0.543 nan 8.240 nan 0.000 0.539 51 A N 1.626 124.624 122.820 0.298 0.000 2.594 51 A HA 0.783 5.050 4.320 -0.089 0.000 0.291 51 A C -3.034 174.805 177.584 0.425 0.000 1.105 51 A CA -2.078 50.112 52.037 0.255 0.000 0.694 51 A CB 0.661 19.761 19.000 0.167 0.000 1.291 51 A HN 0.660 nan 8.150 nan 0.000 0.410 52 P HA 0.136 nan 4.420 nan 0.000 0.265 52 P C 1.247 178.691 177.300 0.240 0.000 1.193 52 P CA 0.916 64.221 63.100 0.342 0.000 0.765 52 P CB 0.545 32.373 31.700 0.213 0.000 0.823 53 G N 2.774 111.682 108.800 0.180 0.000 2.513 53 G HA2 -0.341 3.566 3.960 -0.089 0.000 0.219 53 G HA3 -0.341 3.566 3.960 -0.089 0.000 0.219 53 G C 1.590 176.503 174.900 0.022 0.000 1.160 53 G CA 1.315 46.431 45.100 0.027 0.000 0.767 53 G HN 0.598 nan 8.290 nan 0.000 0.571 54 S N -0.042 115.674 115.700 0.026 0.000 2.481 54 S HA 0.147 4.564 4.470 -0.089 0.000 0.231 54 S C 2.214 176.830 174.600 0.028 0.000 0.996 54 S CA 0.910 59.114 58.200 0.006 0.000 0.942 54 S CB -0.154 63.042 63.200 -0.006 0.000 0.768 54 S HN 0.333 nan 8.310 nan 0.000 0.520 55 L N -0.232 121.024 121.223 0.055 0.000 2.298 55 L HA 0.273 4.560 4.340 -0.089 0.000 0.209 55 L C 2.652 179.554 176.870 0.053 0.000 1.084 55 L CA 0.739 55.611 54.840 0.053 0.000 0.816 55 L CB -0.330 41.768 42.059 0.065 0.000 0.967 55 L HN 0.248 nan 8.230 nan 0.000 0.460 56 K N 1.534 121.976 120.400 0.070 0.000 2.103 56 K HA 0.040 4.307 4.320 -0.089 0.000 0.204 56 K C 0.653 177.282 176.600 0.050 0.000 1.052 56 K CA 1.255 57.584 56.287 0.070 0.000 0.945 56 K CB 0.123 32.682 32.500 0.099 0.000 0.722 56 K HN 0.139 nan 8.250 nan 0.000 0.443 57 A N 0.935 123.776 122.820 0.035 0.000 3.082 57 A HA 0.358 4.625 4.320 -0.089 0.000 0.328 57 A C -2.226 175.363 177.584 0.009 0.000 1.089 57 A CA -1.050 51.005 52.037 0.030 0.000 0.802 57 A CB 0.761 19.784 19.000 0.037 0.000 1.138 57 A HN 0.150 nan 8.150 nan 0.000 0.474 58 P HA -0.093 nan 4.420 nan 0.000 0.223 58 P C 0.066 177.360 177.300 -0.009 0.000 1.151 58 P CA 1.141 64.240 63.100 -0.001 0.000 0.787 58 P CB 0.333 32.038 31.700 0.007 0.000 0.788 59 D N -0.926 119.474 120.400 -0.000 0.000 2.340 59 D HA 0.038 4.625 4.640 -0.089 0.000 0.217 59 D C 0.176 176.469 176.300 -0.012 0.000 1.081 59 D CA 0.394 54.391 54.000 -0.005 0.000 0.842 59 D CB -0.092 40.712 40.800 0.005 0.000 0.934 59 D HN 0.092 nan 8.370 nan 0.000 0.511 60 T N 1.702 116.246 114.554 -0.016 0.000 2.737 60 T HA 0.351 4.648 4.350 -0.089 0.000 0.296 60 T C 0.405 175.068 174.700 -0.061 0.000 0.922 60 T CA -0.091 61.990 62.100 -0.033 0.000 1.079 60 T CB 1.030 69.875 68.868 -0.038 0.000 0.892 60 T HN -0.074 nan 8.240 nan 0.000 0.514 61 R N 2.778 123.237 120.500 -0.068 0.000 2.837 61 R HA 0.655 4.942 4.340 -0.089 0.000 0.271 61 R C -0.734 175.517 176.300 -0.083 0.000 0.993 61 R CA -1.000 55.053 56.100 -0.078 0.000 0.931 61 R CB 1.561 31.822 30.300 -0.066 0.000 1.206 61 R HN 0.770 nan 8.270 nan 0.000 0.474 62 N N -1.550 117.104 118.700 -0.076 0.000 2.823 62 N HA 0.019 4.706 4.740 -0.089 0.000 0.251 62 N C -0.048 175.426 175.510 -0.060 0.000 1.392 62 N CA -0.932 52.086 53.050 -0.053 0.000 0.864 62 N CB 0.906 39.398 38.487 0.009 0.000 1.481 62 N HN 0.620 nan 8.380 nan 0.000 0.508 63 E N -0.043 120.133 120.200 -0.039 0.000 2.130 63 E HA -0.305 3.992 4.350 -0.089 0.000 0.196 63 E C 1.003 177.540 176.600 -0.105 0.000 0.998 63 E CA 1.522 57.892 56.400 -0.050 0.000 0.806 63 E CB 0.102 29.796 29.700 -0.009 0.000 0.738 63 E HN 0.511 nan 8.360 nan 0.000 0.459 64 K N 0.826 121.133 120.400 -0.154 0.000 2.001 64 K HA -0.095 4.171 4.320 -0.089 0.000 0.208 64 K C 2.188 178.644 176.600 -0.240 0.000 1.048 64 K CA 1.287 57.390 56.287 -0.307 0.000 0.932 64 K CB -0.575 31.598 32.500 -0.545 0.000 0.715 64 K HN 0.181 nan 8.250 nan 0.000 0.437 65 L N 1.000 122.097 121.223 -0.211 0.000 2.043 65 L HA -0.256 4.030 4.340 -0.089 0.000 0.212 65 L C 1.906 178.670 176.870 -0.177 0.000 1.075 65 L CA 1.499 56.184 54.840 -0.258 0.000 0.752 65 L CB -0.643 41.258 42.059 -0.264 0.000 0.891 65 L HN 0.299 nan 8.230 nan 0.000 0.432 66 N N -0.492 118.130 118.700 -0.130 0.000 2.244 66 N HA -0.135 4.552 4.740 -0.089 0.000 0.183 66 N C 2.005 177.460 175.510 -0.091 0.000 1.016 66 N CA 1.577 54.569 53.050 -0.096 0.000 0.866 66 N CB -0.346 38.098 38.487 -0.071 0.000 0.980 66 N HN 0.365 nan 8.380 nan 0.000 0.430 67 S N 0.213 115.849 115.700 -0.107 0.000 2.561 67 S HA 0.104 4.520 4.470 -0.089 0.000 0.225 67 S C 1.740 176.282 174.600 -0.098 0.000 0.977 67 S CA 0.101 58.245 58.200 -0.093 0.000 0.926 67 S CB -0.351 62.793 63.200 -0.093 0.000 0.769 67 S HN 0.207 nan 8.310 nan 0.000 0.533 68 L N 0.714 121.865 121.223 -0.119 0.000 2.492 68 L HA 0.169 4.455 4.340 -0.089 0.000 0.223 68 L C 2.654 179.478 176.870 -0.076 0.000 1.132 68 L CA 0.635 55.412 54.840 -0.106 0.000 0.850 68 L CB -0.347 41.631 42.059 -0.134 0.000 0.966 68 L HN 0.299 nan 8.230 nan 0.000 0.454 69 E N 1.058 121.216 120.200 -0.070 0.000 2.160 69 E HA -0.265 4.032 4.350 -0.089 0.000 0.195 69 E C 1.674 178.253 176.600 -0.036 0.000 0.991 69 E CA 1.589 57.960 56.400 -0.049 0.000 0.810 69 E CB -0.068 29.605 29.700 -0.045 0.000 0.742 69 E HN 0.573 nan 8.360 nan 0.000 0.466 70 D N -0.510 119.868 120.400 -0.037 0.000 2.263 70 D HA -0.145 4.442 4.640 -0.089 0.000 0.208 70 D C 1.636 177.921 176.300 -0.025 0.000 0.971 70 D CA 1.569 55.551 54.000 -0.029 0.000 0.867 70 D CB -0.384 40.398 40.800 -0.030 0.000 0.929 70 D HN 0.309 nan 8.370 nan 0.000 0.492 71 V N -3.502 116.396 119.914 -0.028 0.000 3.578 71 V HA 0.308 4.375 4.120 -0.089 0.000 0.290 71 V C 0.904 176.989 176.094 -0.014 0.000 1.376 71 V CA -0.663 61.626 62.300 -0.019 0.000 1.083 71 V CB -0.584 31.229 31.823 -0.016 0.000 0.911 71 V HN -0.152 nan 8.190 nan 0.000 0.433 72 R N 2.108 122.597 120.500 -0.017 0.000 2.489 72 R HA 0.371 4.657 4.340 -0.089 0.000 0.287 72 R C -0.100 176.197 176.300 -0.005 0.000 1.053 72 R CA 0.156 56.252 56.100 -0.006 0.000 1.036 72 R CB 0.641 30.936 30.300 -0.007 0.000 0.966 72 R HN 0.368 nan 8.270 nan 0.000 0.432 73 K N 1.298 121.699 120.400 0.001 0.000 2.292 73 K HA 0.325 4.592 4.320 -0.089 0.000 0.257 73 K C -0.029 176.578 176.600 0.011 0.000 0.940 73 K CA -0.442 55.834 56.287 -0.019 0.000 0.811 73 K CB 1.866 34.343 32.500 -0.039 0.000 1.120 73 K HN 0.736 nan 8.250 nan 0.000 0.428 74 G N 0.368 109.184 108.800 0.025 0.000 2.531 74 G HA2 0.250 4.156 3.960 -0.089 0.000 0.253 74 G HA3 0.250 4.156 3.960 -0.089 0.000 0.253 74 G C 0.369 175.343 174.900 0.124 0.000 1.439 74 G CA 0.257 45.423 45.100 0.110 0.000 1.056 74 G HN 0.705 nan 8.290 nan 0.000 0.555 75 S N -2.613 113.237 115.700 0.251 0.000 2.323 75 S HA 0.084 4.501 4.470 -0.089 0.000 0.233 75 S C 0.177 174.946 174.600 0.282 0.000 0.898 75 S CA -0.132 58.222 58.200 0.257 0.000 1.321 75 S CB -0.035 63.242 63.200 0.129 0.000 0.921 75 S HN 0.527 nan 8.310 nan 0.000 0.398 76 E N 3.257 123.556 120.200 0.165 0.000 2.452 76 E HA 0.281 4.578 4.350 -0.089 0.000 0.261 76 E C -0.186 176.368 176.600 -0.076 0.000 0.987 76 E CA 0.333 56.766 56.400 0.056 0.000 0.926 76 E CB -0.011 29.708 29.700 0.033 0.000 0.934 76 E HN 0.384 nan 8.360 nan 0.000 0.452 77 N N 0.459 119.104 118.700 -0.092 0.000 2.878 77 N HA -0.207 4.479 4.740 -0.089 0.000 0.247 77 N C -1.162 174.180 175.510 -0.281 0.000 1.021 77 N CA 1.134 54.068 53.050 -0.194 0.000 0.873 77 N CB -1.315 37.015 38.487 -0.260 0.000 1.128 77 N HN 0.389 nan 8.380 nan 0.000 0.571 78 Y N 0.589 120.895 120.300 0.010 0.000 2.419 78 Y HA 0.642 5.139 4.550 -0.088 0.000 0.328 78 Y C 0.895 176.798 175.900 0.005 0.000 1.162 78 Y CA -0.593 57.512 58.100 0.007 0.000 1.174 78 Y CB 1.081 39.546 38.460 0.008 0.000 1.228 78 Y HN 0.118 nan 8.280 nan 0.000 0.473 79 A N 2.521 125.460 122.820 0.197 0.000 2.425 79 A HA 0.403 4.669 4.320 -0.089 0.000 0.249 79 A C -0.774 176.860 177.584 0.084 0.000 1.084 79 A CA -0.491 51.609 52.037 0.105 0.000 0.781 79 A CB 0.066 19.115 19.000 0.082 0.000 1.019 79 A HN 0.682 nan 8.150 nan 0.000 0.490 80 L N 3.087 124.339 121.223 0.049 0.000 2.360 80 L HA 0.520 4.806 4.340 -0.089 0.000 0.276 80 L C 0.644 177.521 176.870 0.013 0.000 1.121 80 L CA 1.092 55.946 54.840 0.024 0.000 0.845 80 L CB 0.302 42.366 42.059 0.009 0.000 1.143 80 L HN 0.915 nan 8.230 nan 0.000 0.452 81 T N 0.514 115.070 114.554 0.002 0.000 2.864 81 T HA 0.684 4.981 4.350 -0.089 0.000 0.289 81 T C 0.230 174.926 174.700 -0.006 0.000 1.082 81 T CA -0.147 61.956 62.100 0.004 0.000 1.009 81 T CB 1.050 69.923 68.868 0.009 0.000 1.234 81 T HN 0.792 nan 8.240 nan 0.000 0.526 82 T N 0.174 114.736 114.554 0.014 0.000 2.698 82 T HA 0.249 4.545 4.350 -0.089 0.000 0.295 82 T C 1.009 175.719 174.700 0.017 0.000 1.007 82 T CA -0.542 61.572 62.100 0.024 0.000 0.980 82 T CB -0.045 68.877 68.868 0.089 0.000 1.036 82 T HN 0.563 nan 8.240 nan 0.000 0.526 83 N N 0.380 119.092 118.700 0.021 0.000 2.512 83 N HA -0.048 4.639 4.740 -0.089 0.000 0.183 83 N C 1.525 177.052 175.510 0.028 0.000 1.073 83 N CA 0.468 53.525 53.050 0.011 0.000 0.911 83 N CB -0.125 38.375 38.487 0.021 0.000 0.964 83 N HN 0.537 nan 8.380 nan 0.000 0.447 84 Q N -0.602 119.228 119.800 0.051 0.000 2.360 84 Q HA 0.195 4.482 4.340 -0.089 0.000 0.202 84 Q C 0.914 176.937 176.000 0.039 0.000 0.915 84 Q CA 0.197 56.028 55.803 0.048 0.000 0.943 84 Q CB 0.479 29.256 28.738 0.065 0.000 1.064 84 Q HN 0.407 nan 8.270 nan 0.000 0.511 85 G N 0.258 109.077 108.800 0.033 0.000 2.175 85 G HA2 -0.237 3.669 3.960 -0.089 0.000 0.244 85 G HA3 -0.237 3.669 3.960 -0.089 0.000 0.244 85 G C 0.150 175.075 174.900 0.042 0.000 0.982 85 G CA 0.141 45.255 45.100 0.024 0.000 0.641 85 G HN 0.216 nan 8.290 nan 0.000 0.527 86 V N 2.228 122.182 119.914 0.068 0.000 2.488 86 V HA 0.344 4.411 4.120 -0.089 0.000 0.277 86 V C 1.274 177.405 176.094 0.062 0.000 1.046 86 V CA -0.469 61.883 62.300 0.087 0.000 0.986 86 V CB 1.009 32.932 31.823 0.167 0.000 0.989 86 V HN 0.385 nan 8.190 nan 0.000 0.475 87 R N 4.591 125.121 120.500 0.050 0.000 2.537 87 R HA 0.373 4.660 4.340 -0.089 0.000 0.280 87 R C -0.523 175.789 176.300 0.019 0.000 1.058 87 R CA -0.123 55.998 56.100 0.033 0.000 1.057 87 R CB 0.550 30.870 30.300 0.034 0.000 0.973 87 R HN 0.576 nan 8.270 nan 0.000 0.438 88 I N 2.003 122.573 120.570 -0.001 0.000 2.353 88 I HA 0.112 4.228 4.170 -0.089 0.000 0.293 88 I C 0.999 177.106 176.117 -0.017 0.000 0.992 88 I CA 0.062 61.346 61.300 -0.026 0.000 1.268 88 I CB 1.862 39.836 38.000 -0.045 0.000 1.387 88 I HN 0.770 nan 8.210 nan 0.000 0.478 89 A N 4.026 126.832 122.820 -0.022 0.000 1.924 89 A HA 0.033 4.299 4.320 -0.089 0.000 0.211 89 A C 0.600 178.170 177.584 -0.022 0.000 1.198 89 A CA 0.849 52.877 52.037 -0.015 0.000 0.657 89 A CB 0.083 19.077 19.000 -0.009 0.000 0.852 89 A HN 0.677 nan 8.150 nan 0.000 0.454 90 D N -0.624 119.755 120.400 -0.035 0.000 2.473 90 D HA 0.343 4.929 4.640 -0.089 0.000 0.253 90 D C -1.430 174.840 176.300 -0.051 0.000 1.233 90 D CA -0.356 53.621 54.000 -0.038 0.000 0.908 90 D CB 1.317 42.095 40.800 -0.036 0.000 1.170 90 D HN 0.043 nan 8.370 nan 0.000 0.558 91 D N 2.109 122.482 120.400 -0.046 0.000 2.427 91 D HA 0.068 4.655 4.640 -0.089 0.000 0.224 91 D C 0.596 176.865 176.300 -0.052 0.000 1.157 91 D CA 0.230 54.198 54.000 -0.053 0.000 0.828 91 D CB 0.513 41.285 40.800 -0.045 0.000 0.974 91 D HN 0.229 nan 8.370 nan 0.000 0.498 92 Q N -0.698 119.073 119.800 -0.047 0.000 2.316 92 Q HA 0.264 4.550 4.340 -0.089 0.000 0.235 92 Q C -0.116 175.856 176.000 -0.047 0.000 0.863 92 Q CA 0.220 55.996 55.803 -0.045 0.000 0.939 92 Q CB 0.765 29.481 28.738 -0.037 0.000 1.108 92 Q HN 0.189 nan 8.270 nan 0.000 0.522 93 N N 0.130 118.801 118.700 -0.049 0.000 2.284 93 N HA 0.329 5.015 4.740 -0.089 0.000 0.289 93 N C -0.952 174.526 175.510 -0.052 0.000 1.179 93 N CA -0.270 52.753 53.050 -0.046 0.000 0.774 93 N CB 2.107 40.572 38.487 -0.037 0.000 1.548 93 N HN -0.177 nan 8.380 nan 0.000 0.473 94 S N 0.686 116.359 115.700 -0.046 0.000 2.617 94 S HA 0.297 4.713 4.470 -0.089 0.000 0.269 94 S C 0.125 174.703 174.600 -0.036 0.000 1.292 94 S CA -0.584 57.589 58.200 -0.045 0.000 1.010 94 S CB 0.738 63.917 63.200 -0.035 0.000 0.944 94 S HN 0.405 nan 8.310 nan 0.000 0.536 95 L N 3.513 124.716 121.223 -0.034 0.000 2.319 95 L HA 0.443 4.729 4.340 -0.089 0.000 0.280 95 L C 0.050 176.915 176.870 -0.008 0.000 1.099 95 L CA 0.328 55.157 54.840 -0.018 0.000 0.828 95 L CB -0.044 42.008 42.059 -0.010 0.000 1.150 95 L HN 0.733 nan 8.230 nan 0.000 0.442 96 R N 4.270 124.767 120.500 -0.005 0.000 2.808 96 R HA 0.847 5.134 4.340 -0.089 0.000 0.272 96 R C -1.161 175.140 176.300 0.001 0.000 0.995 96 R CA -0.791 55.308 56.100 -0.002 0.000 0.917 96 R CB 1.181 31.478 30.300 -0.006 0.000 1.217 96 R HN 0.615 nan 8.270 nan 0.000 0.471 97 A N 1.464 124.286 122.820 0.003 0.000 2.539 97 A HA 0.560 4.827 4.320 -0.089 0.000 0.306 97 A C 0.679 178.264 177.584 0.002 0.000 1.392 97 A CA 0.434 52.474 52.037 0.004 0.000 1.060 97 A CB -0.981 18.023 19.000 0.006 0.000 1.134 97 A HN 1.280 nan 8.150 nan 0.000 0.542 98 G N 1.301 110.101 108.800 0.001 0.000 2.692 98 G HA2 0.049 3.956 3.960 -0.089 0.000 0.686 98 G HA3 0.049 3.956 3.960 -0.089 0.000 0.686 98 G C 0.689 175.587 174.900 -0.003 0.000 1.243 98 G CA 0.184 45.284 45.100 -0.001 0.000 0.782 98 G HN 1.886 nan 8.290 nan 0.000 0.625 99 S N 0.001 115.698 115.700 -0.005 0.000 2.481 99 S HA 0.009 4.426 4.470 -0.089 0.000 0.231 99 S C 1.605 176.200 174.600 -0.008 0.000 0.996 99 S CA 1.448 59.644 58.200 -0.007 0.000 0.942 99 S CB 0.094 63.289 63.200 -0.008 0.000 0.768 99 S HN 0.735 nan 8.310 nan 0.000 0.520 100 R N 0.690 121.186 120.500 -0.006 0.000 2.577 100 R HA 0.328 4.615 4.340 -0.089 0.000 0.344 100 R C 0.919 177.216 176.300 -0.005 0.000 1.037 100 R CA 0.074 56.170 56.100 -0.006 0.000 1.102 100 R CB 0.775 31.072 30.300 -0.005 0.000 1.313 100 R HN 0.468 nan 8.270 nan 0.000 0.561 101 G N 1.595 110.392 108.800 -0.004 0.000 2.532 101 G HA2 0.330 4.237 3.960 -0.089 0.000 0.291 101 G HA3 0.330 4.237 3.960 -0.089 0.000 0.291 101 G C -2.388 172.511 174.900 -0.002 0.000 1.349 101 G CA -1.006 44.093 45.100 -0.002 0.000 1.038 101 G HN -0.089 nan 8.290 nan 0.000 0.518 102 P HA 0.197 nan 4.420 nan 0.000 0.275 102 P C -0.206 177.095 177.300 0.001 0.000 1.227 102 P CA -0.036 63.064 63.100 0.001 0.000 0.781 102 P CB 0.832 32.534 31.700 0.003 0.000 0.906 103 T N 3.398 117.952 114.554 0.000 0.000 2.870 103 T HA 0.207 4.504 4.350 -0.089 0.000 0.300 103 T C 0.583 175.288 174.700 0.008 0.000 0.989 103 T CA -0.052 62.049 62.100 0.001 0.000 1.139 103 T CB -0.063 68.803 68.868 -0.003 0.000 0.920 103 T HN 0.198 nan 8.240 nan 0.000 0.537 104 L N 3.681 124.911 121.223 0.012 0.000 2.334 104 L HA 0.288 4.574 4.340 -0.089 0.000 0.277 104 L C 1.450 178.338 176.870 0.030 0.000 1.075 104 L CA -0.782 54.070 54.840 0.021 0.000 0.804 104 L CB 0.758 42.832 42.059 0.025 0.000 1.174 104 L HN 0.511 nan 8.230 nan 0.000 0.438 105 L N 2.243 123.487 121.223 0.035 0.000 2.191 105 L HA -0.173 4.114 4.340 -0.089 0.000 0.212 105 L C 2.265 179.174 176.870 0.066 0.000 1.103 105 L CA 1.569 56.436 54.840 0.044 0.000 0.769 105 L CB -0.587 41.495 42.059 0.039 0.000 0.908 105 L HN 0.782 nan 8.230 nan 0.000 0.438 106 E N -1.539 118.704 120.200 0.072 0.000 2.516 106 E HA -0.157 4.140 4.350 -0.089 0.000 0.199 106 E C 0.108 176.810 176.600 0.171 0.000 1.069 106 E CA 0.156 56.624 56.400 0.113 0.000 0.876 106 E CB -0.507 29.250 29.700 0.096 0.000 0.843 106 E HN 0.355 nan 8.360 nan 0.000 0.530 107 D N 1.236 121.697 120.400 0.102 0.000 2.508 107 D HA -0.033 4.554 4.640 -0.089 0.000 0.224 107 D C 0.493 176.821 176.300 0.048 0.000 1.171 107 D CA -0.564 53.460 54.000 0.040 0.000 1.006 107 D CB -0.211 40.577 40.800 -0.020 0.000 1.073 107 D HN 0.305 nan 8.370 nan 0.000 0.513 108 F N 1.966 121.924 119.950 0.015 0.000 2.407 108 F HA 0.061 4.534 4.527 -0.090 0.000 0.299 108 F C 1.553 177.365 175.800 0.020 0.000 1.097 108 F CA 0.231 58.243 58.000 0.019 0.000 1.422 108 F CB -0.564 38.446 39.000 0.017 0.000 1.067 108 F HN 0.176 nan 8.300 nan 0.000 0.539 109 I N 0.497 120.600 120.570 -0.778 0.000 2.193 109 I HA -0.207 3.910 4.170 -0.089 0.000 0.240 109 I C 2.520 178.509 176.117 -0.213 0.000 1.084 109 I CA 1.236 62.207 61.300 -0.549 0.000 1.365 109 I CB -0.580 37.051 38.000 -0.616 0.000 1.064 109 I HN 0.299 nan 8.210 nan 0.000 0.410 110 L N 1.159 122.286 121.223 -0.161 0.000 2.012 110 L HA -0.216 4.070 4.340 -0.089 0.000 0.210 110 L C 2.650 179.508 176.870 -0.019 0.000 1.073 110 L CA 1.867 56.661 54.840 -0.077 0.000 0.748 110 L CB -0.537 41.486 42.059 -0.060 0.000 0.891 110 L HN 0.054 nan 8.230 nan 0.000 0.431 111 R N -0.551 119.956 120.500 0.011 0.000 2.096 111 R HA -0.182 4.105 4.340 -0.089 0.000 0.235 111 R C 2.320 178.673 176.300 0.090 0.000 1.127 111 R CA 1.550 57.687 56.100 0.061 0.000 0.968 111 R CB -0.415 29.935 30.300 0.083 0.000 0.861 111 R HN 0.616 nan 8.270 nan 0.000 0.440 112 E N 1.209 121.461 120.200 0.087 0.000 2.106 112 E HA -0.215 4.082 4.350 -0.089 0.000 0.192 112 E C 1.888 178.560 176.600 0.120 0.000 0.984 112 E CA 1.089 57.559 56.400 0.115 0.000 0.806 112 E CB 0.134 29.902 29.700 0.114 0.000 0.750 112 E HN 0.157 nan 8.360 nan 0.000 0.458 113 K N 0.265 120.704 120.400 0.065 0.000 2.026 113 K HA -0.128 4.139 4.320 -0.089 0.000 0.208 113 K C 2.131 178.804 176.600 0.122 0.000 1.048 113 K CA 1.256 57.582 56.287 0.065 0.000 0.929 113 K CB 0.014 32.510 32.500 -0.007 0.000 0.713 113 K HN 0.142 nan 8.250 nan 0.000 0.439 114 I N 1.148 121.776 120.570 0.096 0.000 2.286 114 I HA -0.181 3.935 4.170 -0.089 0.000 0.245 114 I C 2.182 178.424 176.117 0.207 0.000 1.104 114 I CA 1.316 62.696 61.300 0.135 0.000 1.397 114 I CB -1.539 36.504 38.000 0.072 0.000 1.072 114 I HN 0.212 nan 8.210 nan 0.000 0.417 115 T N 0.012 114.677 114.554 0.186 0.000 2.652 115 T HA -0.247 4.050 4.350 -0.089 0.000 0.267 115 T C 1.973 176.848 174.700 0.292 0.000 1.039 115 T CA 1.670 63.916 62.100 0.243 0.000 1.153 115 T CB -0.512 68.493 68.868 0.228 0.000 0.863 115 T HN 0.348 nan 8.240 nan 0.000 0.428 116 H N -0.066 119.111 119.070 0.179 0.000 2.319 116 H HA -0.096 4.407 4.556 -0.088 0.000 0.299 116 H C 2.219 177.617 175.328 0.118 0.000 1.092 116 H CA 1.786 57.920 56.048 0.142 0.000 1.302 116 H CB -0.486 29.333 29.762 0.096 0.000 1.373 116 H HN 0.406 nan 8.280 nan 0.000 0.497 117 F N 2.014 122.040 119.950 0.128 0.000 2.126 117 F HA -0.201 4.274 4.527 -0.086 0.000 0.299 117 F C 1.997 177.756 175.800 -0.069 0.000 1.096 117 F CA 1.774 59.791 58.000 0.029 0.000 1.255 117 F CB -0.261 38.748 39.000 0.013 0.000 0.997 117 F HN 0.084 nan 8.300 nan 0.000 0.479 118 D N -1.103 119.225 120.400 -0.120 0.000 2.178 118 D HA -0.149 4.438 4.640 -0.089 0.000 0.201 118 D C 1.343 177.277 176.300 -0.609 0.000 0.980 118 D CA 1.273 55.037 54.000 -0.395 0.000 0.842 118 D CB -0.473 40.081 40.800 -0.410 0.000 0.948 118 D HN 0.491 nan 8.370 nan 0.000 0.472 119 H N 0.212 119.162 119.070 -0.200 0.000 2.488 119 H HA 0.217 4.718 4.556 -0.090 0.000 0.294 119 H C 1.014 176.170 175.328 -0.287 0.000 1.088 119 H CA -0.017 55.904 56.048 -0.212 0.000 1.086 119 H CB 0.428 30.081 29.762 -0.181 0.000 1.569 119 H HN 0.309 nan 8.280 nan 0.000 0.548 120 E N 0.672 120.700 120.200 -0.286 0.000 2.107 120 E HA -0.043 4.253 4.350 -0.089 0.000 0.191 120 E C 0.593 177.029 176.600 -0.274 0.000 0.982 120 E CA 0.476 56.678 56.400 -0.330 0.000 0.809 120 E CB 0.425 29.909 29.700 -0.360 0.000 0.756 120 E HN 0.183 nan 8.360 nan 0.000 0.459 121 R N 1.269 121.662 120.500 -0.179 0.000 2.539 121 R HA 0.342 4.628 4.340 -0.089 0.000 0.275 121 R C 0.485 176.807 176.300 0.036 0.000 1.077 121 R CA -0.142 55.926 56.100 -0.053 0.000 1.097 121 R CB 0.451 30.715 30.300 -0.059 0.000 1.018 121 R HN 0.178 nan 8.270 nan 0.000 0.483 122 I N -1.436 119.214 120.570 0.134 0.000 2.892 122 I HA 0.555 4.672 4.170 -0.089 0.000 0.306 122 I C -2.330 173.836 176.117 0.082 0.000 1.078 122 I CA -3.015 58.356 61.300 0.118 0.000 1.032 122 I CB 2.001 40.102 38.000 0.169 0.000 1.229 122 I HN 0.244 nan 8.210 nan 0.000 0.435 123 P HA 0.097 nan 4.420 nan 0.000 0.264 123 P C -0.766 176.550 177.300 0.028 0.000 1.193 123 P CA -0.007 63.108 63.100 0.026 0.000 0.763 123 P CB 0.392 32.097 31.700 0.008 0.000 0.810 124 E N 2.984 123.204 120.200 0.032 0.000 2.391 124 E HA 0.156 4.453 4.350 -0.089 0.000 0.255 124 E C -0.398 176.210 176.600 0.012 0.000 1.187 124 E CA -0.808 55.614 56.400 0.037 0.000 0.941 124 E CB 0.571 30.299 29.700 0.046 0.000 1.010 124 E HN 0.267 nan 8.360 nan 0.000 0.458 125 R N 0.517 121.025 120.500 0.014 0.000 2.585 125 R HA -0.007 4.280 4.340 -0.089 0.000 0.275 125 R C 1.132 177.432 176.300 -0.001 0.000 1.018 125 R CA -0.079 56.018 56.100 -0.005 0.000 1.072 125 R CB 0.215 30.522 30.300 0.012 0.000 0.953 125 R HN 0.625 nan 8.270 nan 0.000 0.419 126 I N 3.437 123.995 120.570 -0.020 0.000 2.163 126 I HA -0.208 3.909 4.170 -0.089 0.000 0.243 126 I C 0.435 176.566 176.117 0.024 0.000 1.085 126 I CA 1.505 62.805 61.300 -0.000 0.000 1.347 126 I CB 0.344 38.341 38.000 -0.005 0.000 1.044 126 I HN 0.408 nan 8.210 nan 0.000 0.408 127 V N -2.734 117.205 119.914 0.041 0.000 2.914 127 V HA 0.842 4.909 4.120 -0.089 0.000 0.314 127 V C 0.455 176.591 176.094 0.069 0.000 1.084 127 V CA -0.885 61.460 62.300 0.075 0.000 0.963 127 V CB 0.849 32.766 31.823 0.158 0.000 1.025 127 V HN 0.709 nan 8.190 nan 0.000 0.432 128 A N 1.006 123.877 122.820 0.084 0.000 2.925 128 A HA -0.070 4.197 4.320 -0.089 0.000 0.265 128 A C 1.648 179.275 177.584 0.070 0.000 1.419 128 A CA 1.515 53.599 52.037 0.079 0.000 0.807 128 A CB -1.908 17.129 19.000 0.061 0.000 1.043 128 A HN 2.606 nan 8.150 nan 0.000 0.600 129 A N -0.588 122.273 122.820 0.069 0.000 1.940 129 A HA 0.110 4.376 4.320 -0.089 0.000 0.219 129 A C 1.412 179.061 177.584 0.109 0.000 1.176 129 A CA 1.986 54.067 52.037 0.074 0.000 0.631 129 A CB -0.144 18.891 19.000 0.058 0.000 0.814 129 A HN 1.262 nan 8.150 nan 0.000 0.446 130 R N 0.256 120.826 120.500 0.116 0.000 2.196 130 R HA 0.502 4.788 4.340 -0.089 0.000 0.340 130 R C -0.139 176.266 176.300 0.176 0.000 1.043 130 R CA 0.718 56.909 56.100 0.152 0.000 0.883 130 R CB 0.123 30.506 30.300 0.138 0.000 1.078 130 R HN 0.373 nan 8.270 nan 0.000 0.462 131 G N 0.838 109.771 108.800 0.221 0.000 2.698 131 G HA2 0.494 4.401 3.960 -0.089 0.000 0.293 131 G HA3 0.494 4.401 3.960 -0.089 0.000 0.293 131 G C -1.592 173.472 174.900 0.274 0.000 1.437 131 G CA -0.602 44.605 45.100 0.179 0.000 0.852 131 G HN 0.470 nan 8.290 nan 0.000 0.499 132 S N -0.899 114.927 115.700 0.211 0.000 2.521 132 S HA 0.875 5.292 4.470 -0.089 0.000 0.295 132 S C -0.083 174.564 174.600 0.078 0.000 1.098 132 S CA -0.225 58.157 58.200 0.304 0.000 0.999 132 S CB 1.705 65.191 63.200 0.476 0.000 1.034 132 S HN 1.468 nan 8.310 nan 0.000 0.483 133 A N 1.688 124.516 122.820 0.015 0.000 2.469 133 A HA 1.030 5.296 4.320 -0.089 0.000 0.299 133 A C -0.836 176.582 177.584 -0.276 0.000 1.098 133 A CA -0.780 51.059 52.037 -0.330 0.000 0.737 133 A CB 1.613 20.276 19.000 -0.561 0.000 1.312 133 A HN 1.307 nan 8.150 nan 0.000 0.414 134 A N 0.465 122.955 122.820 -0.551 0.000 2.612 134 A HA 0.706 4.973 4.320 -0.089 0.000 0.293 134 A C -1.088 176.308 177.584 -0.314 0.000 1.075 134 A CA -0.649 51.224 52.037 -0.275 0.000 0.680 134 A CB 0.729 19.651 19.000 -0.130 0.000 1.279 134 A HN 0.880 nan 8.150 nan 0.000 0.411 135 H N -0.275 118.813 119.070 0.031 0.000 2.505 135 H HA 0.641 5.145 4.556 -0.087 0.000 0.351 135 H C 0.639 175.963 175.328 -0.005 0.000 1.151 135 H CA 0.997 57.124 56.048 0.132 0.000 1.339 135 H CB 1.821 31.662 29.762 0.132 0.000 1.483 135 H HN 1.091 nan 8.280 nan 0.000 0.558 136 G N 0.857 109.749 108.800 0.153 0.000 2.677 136 G HA2 0.393 4.299 3.960 -0.089 0.000 0.283 136 G HA3 0.393 4.299 3.960 -0.089 0.000 0.283 136 G C -1.987 173.043 174.900 0.216 0.000 1.221 136 G CA -0.632 44.509 45.100 0.069 0.000 0.851 136 G HN 0.631 nan 8.290 nan 0.000 0.504 137 Y N -1.967 118.381 120.300 0.079 0.000 2.592 137 Y HA 0.809 5.306 4.550 -0.089 0.000 0.334 137 Y C -1.867 174.183 175.900 0.251 0.000 1.136 137 Y CA -1.921 56.273 58.100 0.156 0.000 1.042 137 Y CB 1.697 40.221 38.460 0.105 0.000 1.325 137 Y HN 0.774 nan 8.280 nan 0.000 0.457 138 F N 2.072 122.218 119.950 0.326 0.000 2.563 138 F HA 0.742 5.218 4.527 -0.086 0.000 0.316 138 F C -1.201 174.835 175.800 0.393 0.000 1.076 138 F CA -0.626 57.571 58.000 0.329 0.000 0.921 138 F CB 2.397 41.710 39.000 0.522 0.000 1.209 138 F HN 0.773 nan 8.300 nan 0.000 0.462 139 Q N 5.858 125.100 119.800 -0.930 0.000 2.284 139 Q HA 0.438 4.724 4.340 -0.089 0.000 0.269 139 Q C -2.794 172.627 176.000 -0.966 0.000 1.026 139 Q CA -2.355 53.093 55.803 -0.592 0.000 0.831 139 Q CB 3.105 31.782 28.738 -0.102 0.000 1.322 139 Q HN 0.324 nan 8.270 nan 0.000 0.419 140 P HA 0.069 nan 4.420 nan 0.000 0.276 140 P C -0.571 176.672 177.300 -0.095 0.000 1.244 140 P CA 0.143 63.072 63.100 -0.283 0.000 0.801 140 P CB 0.514 32.181 31.700 -0.054 0.000 1.006 141 Y N 0.176 120.429 120.300 -0.078 0.000 2.490 141 Y HA 0.029 4.527 4.550 -0.088 0.000 0.285 141 Y C 1.283 177.161 175.900 -0.037 0.000 1.117 141 Y CA 0.088 58.158 58.100 -0.050 0.000 1.262 141 Y CB 0.413 38.850 38.460 -0.039 0.000 1.043 141 Y HN 0.354 nan 8.280 nan 0.000 0.553 142 K N -1.228 119.236 120.400 0.106 0.000 2.607 142 K HA 0.309 4.576 4.320 -0.089 0.000 0.287 142 K C -1.094 175.513 176.600 0.011 0.000 0.996 142 K CA -0.873 55.445 56.287 0.051 0.000 0.876 142 K CB 1.314 33.842 32.500 0.047 0.000 1.496 142 K HN -0.244 nan 8.250 nan 0.000 0.415 143 S N 0.725 116.428 115.700 0.005 0.000 2.562 143 S HA 0.211 4.627 4.470 -0.089 0.000 0.281 143 S C 0.255 174.843 174.600 -0.020 0.000 1.333 143 S CA -0.572 57.622 58.200 -0.010 0.000 1.052 143 S CB -0.088 63.110 63.200 -0.004 0.000 0.884 143 S HN 0.535 nan 8.310 nan 0.000 0.506 144 L N 4.416 125.616 121.223 -0.038 0.000 3.066 144 L HA 0.169 4.455 4.340 -0.089 0.000 0.265 144 L C 1.863 178.715 176.870 -0.029 0.000 1.232 144 L CA -0.090 54.733 54.840 -0.029 0.000 1.031 144 L CB 0.094 42.138 42.059 -0.026 0.000 1.379 144 L HN 0.839 nan 8.230 nan 0.000 0.563 145 S N -2.035 113.647 115.700 -0.031 0.000 2.469 145 S HA -0.160 4.256 4.470 -0.089 0.000 0.238 145 S C 1.222 175.804 174.600 -0.029 0.000 0.998 145 S CA 0.965 59.145 58.200 -0.032 0.000 0.957 145 S CB -0.140 63.045 63.200 -0.025 0.000 0.764 145 S HN 0.378 nan 8.310 nan 0.000 0.514 146 D N 2.214 122.602 120.400 -0.021 0.000 2.178 146 D HA 0.012 4.598 4.640 -0.089 0.000 0.202 146 D C 1.805 178.087 176.300 -0.030 0.000 0.974 146 D CA 1.461 55.448 54.000 -0.021 0.000 0.841 146 D CB -0.189 40.604 40.800 -0.012 0.000 0.953 146 D HN 0.799 nan 8.370 nan 0.000 0.478 147 I N -4.118 116.435 120.570 -0.029 0.000 4.181 147 I HA 0.240 4.356 4.170 -0.089 0.000 0.331 147 I C 0.426 176.501 176.117 -0.069 0.000 1.312 147 I CA -0.050 61.224 61.300 -0.044 0.000 1.146 147 I CB 1.122 39.115 38.000 -0.012 0.000 1.074 147 I HN -0.260 nan 8.210 nan 0.000 0.402 148 T N 1.560 116.076 114.554 -0.063 0.000 2.982 148 T HA 0.315 4.612 4.350 -0.089 0.000 0.321 148 T C -0.155 174.495 174.700 -0.083 0.000 1.229 148 T CA -0.729 61.317 62.100 -0.091 0.000 1.044 148 T CB 1.688 70.493 68.868 -0.104 0.000 1.184 148 T HN 0.421 nan 8.240 nan 0.000 0.477 149 K N 2.427 122.776 120.400 -0.085 0.000 2.437 149 K HA 0.575 4.841 4.320 -0.089 0.000 0.198 149 K C 0.687 177.253 176.600 -0.056 0.000 1.024 149 K CA -0.376 55.873 56.287 -0.063 0.000 1.148 149 K CB 0.268 32.736 32.500 -0.055 0.000 0.860 149 K HN 0.475 nan 8.250 nan 0.000 0.515 150 A N 2.151 124.918 122.820 -0.088 0.000 2.515 150 A HA -0.044 4.222 4.320 -0.089 0.000 0.263 150 A C 0.606 178.168 177.584 -0.037 0.000 1.096 150 A CA 0.018 52.020 52.037 -0.058 0.000 0.769 150 A CB 0.017 18.935 19.000 -0.137 0.000 1.040 150 A HN 0.479 nan 8.150 nan 0.000 0.505 151 D N 2.442 122.887 120.400 0.075 0.000 2.133 151 D HA -0.270 4.316 4.640 -0.089 0.000 0.195 151 D C 1.379 177.761 176.300 0.136 0.000 0.997 151 D CA 2.421 56.479 54.000 0.097 0.000 0.840 151 D CB -0.259 40.618 40.800 0.128 0.000 0.947 151 D HN 0.756 nan 8.370 nan 0.000 0.452 152 F N -0.579 119.395 119.950 0.040 0.000 2.451 152 F HA 0.095 4.569 4.527 -0.088 0.000 0.299 152 F C 1.253 177.133 175.800 0.133 0.000 1.101 152 F CA 0.468 58.529 58.000 0.102 0.000 1.436 152 F CB -0.253 38.815 39.000 0.112 0.000 1.074 152 F HN -0.036 nan 8.300 nan 0.000 0.553 153 L N 0.807 121.703 121.223 -0.545 0.000 2.667 153 L HA 0.150 4.436 4.340 -0.089 0.000 0.232 153 L C 2.159 178.935 176.870 -0.157 0.000 1.138 153 L CA 0.435 55.022 54.840 -0.420 0.000 0.921 153 L CB -0.212 41.489 42.059 -0.598 0.000 1.180 153 L HN 0.350 nan 8.230 nan 0.000 0.487 154 S N -1.988 113.664 115.700 -0.081 0.000 2.527 154 S HA -0.010 4.406 4.470 -0.089 0.000 0.222 154 S C 0.386 174.983 174.600 -0.003 0.000 0.985 154 S CA 0.096 58.276 58.200 -0.032 0.000 0.921 154 S CB 0.022 63.218 63.200 -0.006 0.000 0.772 154 S HN 0.403 nan 8.310 nan 0.000 0.529 155 D N 0.150 120.558 120.400 0.013 0.000 2.886 155 D HA 0.371 4.958 4.640 -0.089 0.000 0.216 155 D C -2.603 173.716 176.300 0.033 0.000 1.256 155 D CA -1.835 52.181 54.000 0.025 0.000 0.844 155 D CB 1.973 42.795 40.800 0.037 0.000 1.669 155 D HN -0.195 nan 8.370 nan 0.000 0.513 156 P HA -0.014 nan 4.420 nan 0.000 0.223 156 P C 0.310 177.634 177.300 0.040 0.000 1.151 156 P CA 0.906 64.027 63.100 0.035 0.000 0.787 156 P CB 0.158 31.886 31.700 0.047 0.000 0.788 157 N N -0.800 117.925 118.700 0.042 0.000 2.398 157 N HA 0.003 4.690 4.740 -0.089 0.000 0.188 157 N C 0.642 176.187 175.510 0.058 0.000 1.122 157 N CA -0.106 52.970 53.050 0.043 0.000 0.866 157 N CB -0.033 38.474 38.487 0.033 0.000 0.970 157 N HN 0.097 nan 8.380 nan 0.000 0.462 158 K N 1.916 122.364 120.400 0.079 0.000 2.285 158 K HA 0.255 4.522 4.320 -0.089 0.000 0.286 158 K C -0.843 175.855 176.600 0.164 0.000 1.072 158 K CA -0.154 56.205 56.287 0.120 0.000 0.913 158 K CB 0.453 33.038 32.500 0.141 0.000 1.067 158 K HN 0.028 nan 8.250 nan 0.000 0.479 159 I N 3.938 124.603 120.570 0.157 0.000 2.315 159 I HA 0.123 4.239 4.170 -0.089 0.000 0.291 159 I C -0.127 176.161 176.117 0.285 0.000 1.006 159 I CA -0.419 61.001 61.300 0.199 0.000 1.265 159 I CB 1.784 39.838 38.000 0.090 0.000 1.387 159 I HN 0.514 nan 8.210 nan 0.000 0.475 160 T N 7.783 122.599 114.554 0.436 0.000 2.758 160 T HA 0.341 4.638 4.350 -0.089 0.000 0.285 160 T C -2.443 172.527 174.700 0.450 0.000 0.981 160 T CA -1.401 60.980 62.100 0.469 0.000 0.965 160 T CB 1.315 70.567 68.868 0.640 0.000 0.927 160 T HN 0.246 nan 8.240 nan 0.000 0.448 161 P HA 0.284 nan 4.420 nan 0.000 0.269 161 P C -0.736 176.822 177.300 0.430 0.000 1.209 161 P CA -0.416 62.889 63.100 0.343 0.000 0.776 161 P CB 0.548 32.370 31.700 0.203 0.000 0.876 162 V N -0.228 119.882 119.914 0.325 0.000 3.078 162 V HA 0.725 4.792 4.120 -0.089 0.000 0.311 162 V C -1.431 174.805 176.094 0.237 0.000 1.138 162 V CA -0.957 61.427 62.300 0.139 0.000 1.007 162 V CB 2.309 34.004 31.823 -0.215 0.000 1.045 162 V HN 0.316 nan 8.190 nan 0.000 0.432 163 F N 2.394 122.308 119.950 -0.061 0.000 2.539 163 F HA 0.830 5.301 4.527 -0.093 0.000 0.328 163 F C -0.839 174.860 175.800 -0.168 0.000 1.148 163 F CA -0.795 57.120 58.000 -0.143 0.000 0.940 163 F CB 1.830 40.759 39.000 -0.118 0.000 1.194 163 F HN 0.518 nan 8.300 nan 0.000 0.438 164 V N 6.657 126.097 119.914 -0.791 0.000 2.459 164 V HA 0.556 4.622 4.120 -0.089 0.000 0.295 164 V C -0.546 174.902 176.094 -1.076 0.000 1.029 164 V CA -0.834 60.941 62.300 -0.875 0.000 0.874 164 V CB 1.872 33.122 31.823 -0.954 0.000 0.985 164 V HN 0.703 nan 8.190 nan 0.000 0.438 165 R N 3.788 123.670 120.500 -1.030 0.000 2.393 165 R HA 0.597 4.883 4.340 -0.089 0.000 0.315 165 R C -1.575 174.142 176.300 -0.973 0.000 0.952 165 R CA -0.419 55.190 56.100 -0.819 0.000 0.842 165 R CB 1.002 31.049 30.300 -0.421 0.000 1.163 165 R HN 0.541 nan 8.270 nan 0.000 0.450 166 F N 2.353 121.904 119.950 -0.665 0.000 2.397 166 F HA 0.496 4.970 4.527 -0.088 0.000 0.331 166 F C 0.518 175.940 175.800 -0.630 0.000 1.090 166 F CA -0.063 57.397 58.000 -0.900 0.000 1.065 166 F CB 2.063 40.005 39.000 -1.763 0.000 1.184 166 F HN 0.636 nan 8.300 nan 0.000 0.499 167 S N -0.663 114.901 115.700 -0.228 0.000 2.643 167 S HA 0.697 5.114 4.470 -0.089 0.000 0.270 167 S C -0.570 174.118 174.600 0.147 0.000 1.166 167 S CA -0.817 57.387 58.200 0.008 0.000 0.815 167 S CB 1.482 64.675 63.200 -0.012 0.000 1.139 167 S HN 0.686 nan 8.310 nan 0.000 0.472 168 T N -1.764 112.906 114.554 0.194 0.000 2.902 168 T HA 0.733 5.030 4.350 -0.089 0.000 0.287 168 T C 0.703 175.498 174.700 0.159 0.000 1.048 168 T CA -0.185 62.036 62.100 0.202 0.000 0.941 168 T CB 0.497 69.485 68.868 0.200 0.000 1.432 168 T HN 0.589 nan 8.240 nan 0.000 0.586 169 V N -0.213 119.794 119.914 0.154 0.000 2.950 169 V HA 0.114 4.180 4.120 -0.089 0.000 0.231 169 V C 2.734 178.884 176.094 0.094 0.000 1.205 169 V CA 0.290 62.680 62.300 0.149 0.000 1.239 169 V CB -0.201 31.751 31.823 0.215 0.000 1.050 169 V HN 0.847 nan 8.190 nan 0.000 0.498 170 Q N 1.147 120.984 119.800 0.061 0.000 2.020 170 Q HA 0.017 4.304 4.340 -0.089 0.000 0.198 170 Q C 1.303 177.306 176.000 0.004 0.000 0.974 170 Q CA 1.602 57.407 55.803 0.004 0.000 0.829 170 Q CB -0.565 28.153 28.738 -0.033 0.000 0.894 170 Q HN 0.581 nan 8.270 nan 0.000 0.433 171 G N -0.186 108.627 108.800 0.022 0.000 2.636 171 G HA2 0.360 4.266 3.960 -0.089 0.000 0.246 171 G HA3 0.360 4.266 3.960 -0.089 0.000 0.246 171 G C 0.185 175.099 174.900 0.023 0.000 1.216 171 G CA 0.083 45.191 45.100 0.013 0.000 0.854 171 G HN 0.363 nan 8.290 nan 0.000 0.572 172 G N -0.961 107.844 108.800 0.009 0.000 2.653 172 G HA2 0.470 4.377 3.960 -0.089 0.000 0.265 172 G HA3 0.470 4.377 3.960 -0.089 0.000 0.265 172 G C 1.399 176.324 174.900 0.042 0.000 1.237 172 G CA 0.465 45.576 45.100 0.018 0.000 0.946 172 G HN 1.097 nan 8.290 nan 0.000 0.522 173 A N -0.694 122.158 122.820 0.054 0.000 1.978 173 A HA 0.060 4.326 4.320 -0.089 0.000 0.220 173 A C 2.310 179.924 177.584 0.051 0.000 1.170 173 A CA 2.171 54.256 52.037 0.080 0.000 0.636 173 A CB -0.567 18.494 19.000 0.101 0.000 0.810 173 A HN 1.151 nan 8.150 nan 0.000 0.448 174 G N -0.336 108.477 108.800 0.021 0.000 3.141 174 G HA2 0.315 4.222 3.960 -0.089 0.000 0.218 174 G HA3 0.315 4.222 3.960 -0.089 0.000 0.218 174 G C 0.735 175.634 174.900 -0.002 0.000 1.170 174 G CA 0.671 45.770 45.100 -0.002 0.000 0.769 174 G HN 0.684 nan 8.290 nan 0.000 0.546 175 S N -0.191 115.517 115.700 0.013 0.000 2.655 175 S HA 0.725 5.141 4.470 -0.089 0.000 0.265 175 S C 0.487 175.099 174.600 0.021 0.000 1.240 175 S CA -0.127 58.079 58.200 0.010 0.000 0.986 175 S CB 1.586 64.796 63.200 0.017 0.000 0.985 175 S HN 0.524 nan 8.310 nan 0.000 0.562 176 A N 0.209 123.037 122.820 0.013 0.000 2.304 176 A HA 0.414 4.680 4.320 -0.089 0.000 0.271 176 A C 0.598 178.201 177.584 0.030 0.000 1.091 176 A CA -0.561 51.480 52.037 0.006 0.000 0.812 176 A CB -0.093 18.894 19.000 -0.022 0.000 1.056 176 A HN 0.868 nan 8.150 nan 0.000 0.489 177 D N 0.203 120.607 120.400 0.006 0.000 2.183 177 D HA -0.042 4.545 4.640 -0.089 0.000 0.205 177 D C 1.406 177.667 176.300 -0.065 0.000 0.962 177 D CA 2.100 56.111 54.000 0.018 0.000 0.849 177 D CB -0.201 40.572 40.800 -0.045 0.000 0.978 177 D HN 0.668 nan 8.370 nan 0.000 0.488 178 T N 0.036 114.480 114.554 -0.184 0.000 3.341 178 T HA 0.323 4.620 4.350 -0.089 0.000 0.234 178 T C 0.756 175.445 174.700 -0.018 0.000 0.890 178 T CA -0.607 61.389 62.100 -0.173 0.000 0.952 178 T CB -0.881 67.805 68.868 -0.303 0.000 1.146 178 T HN -0.104 nan 8.240 nan 0.000 0.591 179 V N -1.238 118.720 119.914 0.074 0.000 3.264 179 V HA 0.510 4.577 4.120 -0.089 0.000 0.304 179 V C 0.657 176.897 176.094 0.245 0.000 1.086 179 V CA -1.540 60.853 62.300 0.155 0.000 1.090 179 V CB 0.615 32.516 31.823 0.131 0.000 1.112 179 V HN 0.587 nan 8.190 nan 0.000 0.472 180 R N 1.387 122.078 120.500 0.318 0.000 2.234 180 R HA 0.514 4.801 4.340 -0.089 0.000 0.324 180 R C -1.055 175.332 176.300 0.145 0.000 1.054 180 R CA -0.065 56.177 56.100 0.238 0.000 0.912 180 R CB 0.292 30.657 30.300 0.108 0.000 1.030 180 R HN 1.061 nan 8.270 nan 0.000 0.455 181 D N 3.233 123.734 120.400 0.168 0.000 2.755 181 D HA 0.168 4.755 4.640 -0.089 0.000 0.277 181 D C -0.806 175.623 176.300 0.214 0.000 1.261 181 D CA -0.608 53.487 54.000 0.160 0.000 0.759 181 D CB 1.148 42.039 40.800 0.151 0.000 1.279 181 D HN 0.245 nan 8.370 nan 0.000 0.420 182 I N 1.380 122.100 120.570 0.250 0.000 2.720 182 I HA 0.266 4.383 4.170 -0.089 0.000 0.287 182 I C 0.769 177.034 176.117 0.247 0.000 1.090 182 I CA -0.092 61.362 61.300 0.256 0.000 1.384 182 I CB 0.235 38.428 38.000 0.321 0.000 1.420 182 I HN 0.254 nan 8.210 nan 0.000 0.575 183 R N 2.930 123.573 120.500 0.238 0.000 2.589 183 R HA 0.557 4.843 4.340 -0.089 0.000 0.293 183 R C -0.081 176.332 176.300 0.188 0.000 0.963 183 R CA -0.732 55.508 56.100 0.233 0.000 0.905 183 R CB 1.570 32.037 30.300 0.277 0.000 1.144 183 R HN 0.802 nan 8.270 nan 0.000 0.459 184 G N 1.006 109.879 108.800 0.122 0.000 2.400 184 G HA2 0.481 4.387 3.960 -0.089 0.000 0.301 184 G HA3 0.481 4.387 3.960 -0.089 0.000 0.301 184 G C -1.279 173.636 174.900 0.026 0.000 1.154 184 G CA -0.091 45.043 45.100 0.058 0.000 0.852 184 G HN 0.364 nan 8.290 nan 0.000 0.511 185 F N 2.067 121.890 119.950 -0.211 0.000 2.949 185 F HA 0.634 5.106 4.527 -0.092 0.000 0.376 185 F C -0.073 175.424 175.800 -0.506 0.000 1.205 185 F CA -1.841 55.935 58.000 -0.373 0.000 1.155 185 F CB 0.910 39.797 39.000 -0.189 0.000 1.495 185 F HN 0.644 nan 8.300 nan 0.000 0.551 186 A N 3.157 125.671 122.820 -0.510 0.000 2.292 186 A HA 0.765 5.032 4.320 -0.089 0.000 0.319 186 A C -0.430 176.654 177.584 -0.833 0.000 1.206 186 A CA -0.354 51.210 52.037 -0.788 0.000 0.835 186 A CB 0.625 18.727 19.000 -1.497 0.000 1.164 186 A HN 0.538 nan 8.150 nan 0.000 0.505 187 T N 2.444 116.682 114.554 -0.526 0.000 2.809 187 T HA 0.367 4.663 4.350 -0.089 0.000 0.284 187 T C -0.346 174.136 174.700 -0.364 0.000 0.992 187 T CA -0.473 61.337 62.100 -0.483 0.000 0.957 187 T CB 0.986 69.542 68.868 -0.519 0.000 0.942 187 T HN 0.636 nan 8.240 nan 0.000 0.439 188 K N 3.659 123.949 120.400 -0.185 0.000 2.264 188 K HA 0.425 4.691 4.320 -0.089 0.000 0.277 188 K C -1.204 175.053 176.600 -0.573 0.000 1.067 188 K CA -0.573 55.531 56.287 -0.306 0.000 0.900 188 K CB 0.275 32.559 32.500 -0.360 0.000 1.124 188 K HN 0.391 nan 8.250 nan 0.000 0.469 189 F N 4.251 123.925 119.950 -0.459 0.000 2.404 189 F HA 0.215 4.687 4.527 -0.092 0.000 0.358 189 F C -0.314 175.282 175.800 -0.340 0.000 1.120 189 F CA -0.567 57.223 58.000 -0.350 0.000 1.144 189 F CB 0.623 39.343 39.000 -0.467 0.000 1.133 189 F HN 0.445 nan 8.300 nan 0.000 0.495 190 Y N 1.931 122.294 120.300 0.105 0.000 2.636 190 Y HA 0.193 4.691 4.550 -0.087 0.000 0.334 190 Y C 1.106 177.062 175.900 0.095 0.000 1.286 190 Y CA -0.850 57.293 58.100 0.071 0.000 1.688 190 Y CB -0.439 38.056 38.460 0.058 0.000 1.662 190 Y HN 0.554 nan 8.280 nan 0.000 0.465 191 T N -2.688 111.959 114.554 0.154 0.000 2.788 191 T HA 0.163 4.460 4.350 -0.089 0.000 0.280 191 T C 0.973 175.766 174.700 0.155 0.000 0.984 191 T CA -0.660 61.533 62.100 0.157 0.000 0.972 191 T CB 1.020 69.947 68.868 0.097 0.000 1.039 191 T HN 0.618 nan 8.240 nan 0.000 0.530 192 E N -0.171 120.125 120.200 0.160 0.000 2.482 192 E HA 0.009 4.305 4.350 -0.089 0.000 0.196 192 E C 0.908 177.575 176.600 0.112 0.000 1.047 192 E CA 0.488 56.965 56.400 0.128 0.000 0.869 192 E CB 0.144 29.916 29.700 0.120 0.000 0.836 192 E HN 0.719 nan 8.360 nan 0.000 0.520 193 E N 0.334 120.602 120.200 0.114 0.000 2.685 193 E HA 0.275 4.572 4.350 -0.089 0.000 0.208 193 E C 0.127 176.776 176.600 0.081 0.000 0.996 193 E CA -0.274 56.185 56.400 0.098 0.000 1.054 193 E CB 1.299 31.059 29.700 0.101 0.000 1.075 193 E HN 0.183 nan 8.360 nan 0.000 0.460 194 G N 1.147 109.989 108.800 0.070 0.000 2.392 194 G HA2 -0.116 3.791 3.960 -0.089 0.000 0.677 194 G HA3 -0.116 3.791 3.960 -0.089 0.000 0.677 194 G C -0.951 173.956 174.900 0.011 0.000 1.334 194 G CA -1.128 43.990 45.100 0.030 0.000 0.961 194 G HN 0.027 nan 8.290 nan 0.000 0.616 195 I N 0.657 121.196 120.570 -0.051 0.000 2.496 195 I HA 0.443 4.559 4.170 -0.089 0.000 0.285 195 I C 0.114 176.233 176.117 0.003 0.000 1.080 195 I CA -0.093 61.152 61.300 -0.092 0.000 1.404 195 I CB 0.724 38.600 38.000 -0.207 0.000 1.403 195 I HN 0.499 nan 8.210 nan 0.000 0.539 196 F N 6.676 126.530 119.950 -0.161 0.000 2.477 196 F HA 0.464 4.938 4.527 -0.090 0.000 0.335 196 F C -0.695 175.095 175.800 -0.017 0.000 1.130 196 F CA -1.059 56.850 58.000 -0.152 0.000 0.948 196 F CB 0.902 39.678 39.000 -0.372 0.000 1.154 196 F HN 0.344 nan 8.300 nan 0.000 0.439 197 D N 6.546 126.682 120.400 -0.439 0.000 2.303 197 D HA 0.261 4.848 4.640 -0.089 0.000 0.236 197 D C -1.054 174.775 176.300 -0.784 0.000 1.068 197 D CA -0.142 53.594 54.000 -0.440 0.000 0.830 197 D CB 2.235 42.995 40.800 -0.067 0.000 1.109 197 D HN 0.521 nan 8.370 nan 0.000 0.496 198 L N 3.913 124.681 121.223 -0.758 0.000 2.272 198 L HA 0.276 4.563 4.340 -0.089 0.000 0.284 198 L C -1.056 175.631 176.870 -0.305 0.000 1.045 198 L CA -0.620 53.875 54.840 -0.576 0.000 0.842 198 L CB 1.064 42.828 42.059 -0.491 0.000 1.224 198 L HN 0.079 nan 8.230 nan 0.000 0.430 199 V N 6.183 125.963 119.914 -0.224 0.000 2.270 199 V HA 0.717 4.784 4.120 -0.089 0.000 0.263 199 V C 0.825 176.866 176.094 -0.088 0.000 1.066 199 V CA 0.009 62.196 62.300 -0.189 0.000 0.857 199 V CB 0.086 31.788 31.823 -0.202 0.000 1.099 199 V HN 0.869 nan 8.190 nan 0.000 0.476 200 G N 3.218 111.967 108.800 -0.086 0.000 3.016 200 G HA2 0.679 4.585 3.960 -0.089 0.000 0.270 200 G HA3 0.679 4.585 3.960 -0.089 0.000 0.270 200 G C -0.928 173.982 174.900 0.017 0.000 1.352 200 G CA -0.614 44.468 45.100 -0.030 0.000 1.060 200 G HN 0.475 nan 8.290 nan 0.000 0.538 201 N N -1.038 117.702 118.700 0.068 0.000 2.701 201 N HA 0.260 4.946 4.740 -0.089 0.000 0.290 201 N C 0.417 176.068 175.510 0.235 0.000 1.338 201 N CA -0.750 52.381 53.050 0.136 0.000 0.799 201 N CB 1.320 39.864 38.487 0.096 0.000 1.491 201 N HN 0.521 nan 8.380 nan 0.000 0.540 202 N N -1.441 117.418 118.700 0.265 0.000 2.270 202 N HA -0.008 4.679 4.740 -0.089 0.000 0.198 202 N C -0.485 175.263 175.510 0.397 0.000 1.117 202 N CA -0.036 53.228 53.050 0.357 0.000 0.845 202 N CB -0.099 38.582 38.487 0.323 0.000 0.980 202 N HN 0.542 nan 8.380 nan 0.000 0.486 203 T N -2.996 111.617 114.554 0.099 0.000 2.887 203 T HA 0.453 4.749 4.350 -0.089 0.000 0.288 203 T C -2.475 171.641 174.700 -0.973 0.000 1.021 203 T CA -1.759 60.022 62.100 -0.531 0.000 1.000 203 T CB 2.953 71.410 68.868 -0.685 0.000 1.034 203 T HN -0.251 nan 8.240 nan 0.000 0.467 204 P HA 0.166 nan 4.420 nan 0.000 0.245 204 P C 0.473 177.212 177.300 -0.935 0.000 1.212 204 P CA 0.172 62.272 63.100 -1.667 0.000 0.774 204 P CB -0.119 30.531 31.700 -1.751 0.000 0.999 205 I N -4.739 115.285 120.570 -0.911 0.000 3.264 205 I HA 0.533 4.649 4.170 -0.089 0.000 0.315 205 I C -1.358 174.486 176.117 -0.454 0.000 1.154 205 I CA -1.973 58.956 61.300 -0.619 0.000 0.962 205 I CB 1.528 39.144 38.000 -0.640 0.000 1.265 205 I HN -0.250 nan 8.210 nan 0.000 0.463 206 F N 0.598 120.268 119.950 -0.466 0.000 2.557 206 F HA 0.494 4.970 4.527 -0.084 0.000 0.336 206 F C 0.420 176.004 175.800 -0.359 0.000 1.058 206 F CA -0.750 57.023 58.000 -0.377 0.000 0.988 206 F CB 1.922 40.811 39.000 -0.185 0.000 1.275 206 F HN 0.410 nan 8.300 nan 0.000 0.488 207 F N 2.234 121.409 119.950 -1.290 0.000 2.259 207 F HA 0.020 4.492 4.527 -0.092 0.000 0.298 207 F C 0.713 176.174 175.800 -0.565 0.000 1.088 207 F CA 0.847 58.247 58.000 -1.001 0.000 1.358 207 F CB -0.060 37.941 39.000 -1.665 0.000 1.040 207 F HN 0.137 nan 8.300 nan 0.000 0.505 208 I N -3.257 117.206 120.570 -0.178 0.000 3.002 208 I HA 0.364 4.481 4.170 -0.089 0.000 0.310 208 I C 0.347 176.590 176.117 0.210 0.000 1.087 208 I CA -0.845 60.505 61.300 0.082 0.000 1.017 208 I CB 1.874 39.981 38.000 0.178 0.000 1.226 208 I HN -0.130 nan 8.210 nan 0.000 0.443 209 Q N 0.381 120.314 119.800 0.221 0.000 2.226 209 Q HA 0.115 4.401 4.340 -0.089 0.000 0.199 209 Q C -0.263 175.911 176.000 0.290 0.000 0.945 209 Q CA 0.671 56.649 55.803 0.292 0.000 0.861 209 Q CB 0.378 29.358 28.738 0.403 0.000 0.953 209 Q HN 0.664 nan 8.270 nan 0.000 0.490 210 D N -1.044 119.499 120.400 0.239 0.000 2.362 210 D HA 0.313 4.900 4.640 -0.089 0.000 0.247 210 D C 0.018 176.449 176.300 0.217 0.000 1.050 210 D CA -0.261 53.853 54.000 0.190 0.000 0.839 210 D CB 1.811 42.693 40.800 0.137 0.000 1.283 210 D HN 0.052 nan 8.370 nan 0.000 0.477 211 A N 3.366 126.286 122.820 0.166 0.000 2.076 211 A HA -0.230 4.037 4.320 -0.089 0.000 0.220 211 A C 1.803 179.504 177.584 0.195 0.000 1.160 211 A CA 1.692 53.821 52.037 0.152 0.000 0.653 211 A CB -0.784 18.249 19.000 0.055 0.000 0.801 211 A HN 0.823 nan 8.150 nan 0.000 0.455 212 H N 0.126 119.255 119.070 0.098 0.000 2.422 212 H HA -0.028 4.480 4.556 -0.080 0.000 0.298 212 H C 1.542 176.945 175.328 0.125 0.000 1.098 212 H CA 1.964 58.061 56.048 0.082 0.000 1.315 212 H CB 0.049 29.837 29.762 0.043 0.000 1.382 212 H HN 0.396 nan 8.280 nan 0.000 0.523 213 K N -0.434 120.105 120.400 0.231 0.000 2.458 213 K HA -0.044 4.223 4.320 -0.089 0.000 0.194 213 K C 1.345 178.088 176.600 0.239 0.000 1.024 213 K CA -0.012 56.406 56.287 0.219 0.000 1.108 213 K CB 0.018 32.693 32.500 0.291 0.000 0.846 213 K HN 0.297 nan 8.250 nan 0.000 0.518 214 F N 2.821 122.824 119.950 0.089 0.000 2.095 214 F HA -0.159 4.301 4.527 -0.111 0.000 0.298 214 F C -0.992 174.816 175.800 0.013 0.000 1.104 214 F CA 1.444 59.513 58.000 0.116 0.000 1.232 214 F CB -0.469 38.587 39.000 0.093 0.000 0.987 214 F HN 0.036 nan 8.300 nan 0.000 0.475 215 P HA -0.144 nan 4.420 nan 0.000 0.217 215 P C 1.048 178.048 177.300 -0.501 0.000 1.150 215 P CA 1.798 64.665 63.100 -0.389 0.000 0.832 215 P CB -0.063 31.420 31.700 -0.362 0.000 0.787 216 D N -1.180 119.075 120.400 -0.242 0.000 2.084 216 D HA -0.172 4.415 4.640 -0.089 0.000 0.194 216 D C 1.831 177.895 176.300 -0.392 0.000 0.990 216 D CA 1.095 55.016 54.000 -0.131 0.000 0.826 216 D CB -0.997 39.906 40.800 0.172 0.000 0.971 216 D HN 0.141 nan 8.370 nan 0.000 0.453 217 F N 1.814 121.375 119.950 -0.649 0.000 2.069 217 F HA -0.254 4.214 4.527 -0.099 0.000 0.298 217 F C 2.310 177.701 175.800 -0.682 0.000 1.113 217 F CA 1.304 58.676 58.000 -1.046 0.000 1.214 217 F CB -0.244 38.370 39.000 -0.644 0.000 0.978 217 F HN -0.233 nan 8.300 nan 0.000 0.474 218 V N 0.265 119.750 119.914 -0.716 0.000 2.343 218 V HA -0.341 3.726 4.120 -0.089 0.000 0.247 218 V C 2.281 178.157 176.094 -0.365 0.000 1.051 218 V CA 2.438 64.358 62.300 -0.634 0.000 1.036 218 V CB -1.077 30.390 31.823 -0.593 0.000 0.654 218 V HN 0.485 nan 8.190 nan 0.000 0.451 219 H N -0.256 118.591 119.070 -0.371 0.000 2.387 219 H HA -0.139 4.366 4.556 -0.085 0.000 0.299 219 H C 2.339 177.526 175.328 -0.236 0.000 1.090 219 H CA 1.056 56.968 56.048 -0.228 0.000 1.332 219 H CB 0.032 29.711 29.762 -0.138 0.000 1.386 219 H HN 0.487 nan 8.280 nan 0.000 0.516 220 A N 0.420 123.081 122.820 -0.264 0.000 1.933 220 A HA -0.124 4.142 4.320 -0.089 0.000 0.218 220 A C 2.537 179.978 177.584 -0.238 0.000 1.175 220 A CA 1.448 53.321 52.037 -0.273 0.000 0.628 220 A CB -0.753 17.945 19.000 -0.503 0.000 0.814 220 A HN 0.298 nan 8.150 nan 0.000 0.444 221 V N -0.107 119.539 119.914 -0.447 0.000 2.488 221 V HA -0.026 4.041 4.120 -0.089 0.000 0.246 221 V C 1.022 177.099 176.094 -0.029 0.000 1.046 221 V CA 0.940 63.045 62.300 -0.325 0.000 1.053 221 V CB -0.440 30.985 31.823 -0.663 0.000 0.679 221 V HN 0.368 nan 8.190 nan 0.000 0.458 222 K N 0.922 121.262 120.400 -0.100 0.000 2.234 222 K HA 0.161 4.427 4.320 -0.089 0.000 0.251 222 K C -2.265 174.292 176.600 -0.071 0.000 1.011 222 K CA -1.394 54.848 56.287 -0.074 0.000 0.889 222 K CB -0.485 31.961 32.500 -0.091 0.000 1.011 222 K HN 0.193 nan 8.250 nan 0.000 0.505 223 P HA -0.021 nan 4.420 nan 0.000 0.265 223 P C -0.587 176.649 177.300 -0.106 0.000 1.193 223 P CA 0.414 63.382 63.100 -0.219 0.000 0.765 223 P CB 0.309 31.889 31.700 -0.199 0.000 0.823 224 E N 5.579 125.755 120.200 -0.041 0.000 2.413 224 E HA -0.021 4.275 4.350 -0.089 0.000 0.263 224 E C -1.202 175.475 176.600 0.129 0.000 1.015 224 E CA -1.243 55.249 56.400 0.154 0.000 0.916 224 E CB 0.124 30.045 29.700 0.368 0.000 0.947 224 E HN 0.439 nan 8.360 nan 0.000 0.440 225 P HA -0.208 nan 4.420 nan 0.000 0.221 225 P C 0.940 178.319 177.300 0.132 0.000 1.150 225 P CA 1.390 64.538 63.100 0.081 0.000 0.800 225 P CB 0.074 31.793 31.700 0.031 0.000 0.787 226 H N -0.615 118.494 119.070 0.065 0.000 2.307 226 H HA -0.080 4.422 4.556 -0.090 0.000 0.303 226 H C 1.573 177.002 175.328 0.169 0.000 1.073 226 H CA 1.440 57.514 56.048 0.043 0.000 1.338 226 H CB -1.469 28.247 29.762 -0.077 0.000 1.389 226 H HN 0.324 nan 8.280 nan 0.000 0.503 227 W N 0.086 121.042 121.300 -0.572 0.000 2.870 227 W HA 0.701 5.306 4.660 -0.092 0.000 0.358 227 W C 0.388 176.743 176.519 -0.273 0.000 1.043 227 W CA -1.196 55.929 57.345 -0.367 0.000 1.692 227 W CB -0.755 28.451 29.460 -0.424 0.000 1.100 227 W HN 0.442 nan 8.180 nan 0.000 0.557 228 A N 1.454 124.244 122.820 -0.050 0.000 2.519 228 A HA -0.133 4.133 4.320 -0.089 0.000 0.297 228 A C -0.425 176.922 177.584 -0.394 0.000 1.472 228 A CA 1.439 53.370 52.037 -0.177 0.000 0.739 228 A CB -2.375 16.550 19.000 -0.126 0.000 1.096 228 A HN 0.471 nan 8.150 nan 0.000 0.414 229 I N 0.698 120.887 120.570 -0.635 0.000 2.686 229 I HA 0.547 4.663 4.170 -0.089 0.000 0.295 229 I C -2.484 173.325 176.117 -0.513 0.000 1.114 229 I CA -2.296 58.531 61.300 -0.788 0.000 1.038 229 I CB 3.021 40.050 38.000 -1.618 0.000 1.238 229 I HN 0.245 nan 8.210 nan 0.000 0.420 230 P HA 0.311 nan 4.420 nan 0.000 0.289 230 P C -1.565 175.582 177.300 -0.255 0.000 1.293 230 P CA -0.827 62.062 63.100 -0.352 0.000 0.897 230 P CB 1.671 33.244 31.700 -0.212 0.000 1.166 231 Q N 0.676 120.367 119.800 -0.181 0.000 2.286 231 Q HA 0.474 4.761 4.340 -0.089 0.000 0.257 231 Q C 1.068 177.035 176.000 -0.054 0.000 0.941 231 Q CA 0.914 56.648 55.803 -0.116 0.000 0.912 231 Q CB -0.375 28.302 28.738 -0.101 0.000 1.192 231 Q HN 0.812 nan 8.270 nan 0.000 0.410 232 G N 3.257 112.037 108.800 -0.034 0.000 2.283 232 G HA2 -0.306 3.600 3.960 -0.089 0.000 0.280 232 G HA3 -0.306 3.600 3.960 -0.089 0.000 0.280 232 G C -0.386 174.535 174.900 0.035 0.000 1.029 232 G CA 0.713 45.818 45.100 0.009 0.000 0.840 232 G HN 0.552 nan 8.290 nan 0.000 0.505 233 Q N -1.208 118.602 119.800 0.017 0.000 2.315 233 Q HA 0.553 4.839 4.340 -0.089 0.000 0.273 233 Q C 0.811 176.831 176.000 0.035 0.000 1.053 233 Q CA -0.108 55.731 55.803 0.060 0.000 0.817 233 Q CB 1.778 30.589 28.738 0.122 0.000 1.326 233 Q HN 0.446 nan 8.270 nan 0.000 0.423 234 S N -0.449 115.172 115.700 -0.132 0.000 2.575 234 S HA 0.193 4.609 4.470 -0.089 0.000 0.215 234 S C 0.888 175.408 174.600 -0.132 0.000 0.966 234 S CA 0.024 57.912 58.200 -0.519 0.000 0.911 234 S CB 0.372 62.746 63.200 -1.377 0.000 0.780 234 S HN 0.587 nan 8.310 nan 0.000 0.514 235 A N 2.341 125.288 122.820 0.212 0.000 3.048 235 A HA 0.497 4.763 4.320 -0.089 0.000 0.264 235 A C 0.122 177.948 177.584 0.404 0.000 1.796 235 A CA -0.507 51.747 52.037 0.362 0.000 1.445 235 A CB -1.344 17.818 19.000 0.270 0.000 1.074 235 A HN 0.910 nan 8.150 nan 0.000 0.621 236 H N -3.616 115.649 119.070 0.325 0.000 3.014 236 H HA 0.501 5.002 4.556 -0.091 0.000 0.337 236 H C -0.223 175.304 175.328 0.331 0.000 1.320 236 H CA -0.754 55.451 56.048 0.262 0.000 1.128 236 H CB 0.300 30.177 29.762 0.192 0.000 1.862 236 H HN 0.072 nan 8.280 nan 0.000 0.536 237 D N 0.334 120.915 120.400 0.302 0.000 2.126 237 D HA -0.236 4.351 4.640 -0.089 0.000 0.190 237 D C 2.156 178.525 176.300 0.115 0.000 1.001 237 D CA 3.234 57.346 54.000 0.185 0.000 0.841 237 D CB -0.437 40.447 40.800 0.140 0.000 0.949 237 D HN 0.796 nan 8.370 nan 0.000 0.446 238 T N -1.569 113.055 114.554 0.116 0.000 2.788 238 T HA -0.217 4.080 4.350 -0.089 0.000 0.268 238 T C 1.912 176.547 174.700 -0.107 0.000 1.044 238 T CA 0.842 62.968 62.100 0.043 0.000 1.139 238 T CB -0.774 68.173 68.868 0.133 0.000 0.867 238 T HN 0.157 nan 8.240 nan 0.000 0.454 239 F N 1.056 120.682 119.950 -0.540 0.000 2.046 239 F HA 0.014 4.485 4.527 -0.093 0.000 0.297 239 F C 1.934 177.467 175.800 -0.445 0.000 1.123 239 F CA 1.020 58.630 58.000 -0.651 0.000 1.199 239 F CB -0.749 37.672 39.000 -0.966 0.000 0.972 239 F HN 0.168 nan 8.300 nan 0.000 0.474 240 W N 0.596 121.807 121.300 -0.148 0.000 2.465 240 W HA -0.112 4.498 4.660 -0.083 0.000 0.268 240 W C 2.285 178.720 176.519 -0.140 0.000 1.242 240 W CA 1.024 58.279 57.345 -0.151 0.000 1.248 240 W CB -0.618 28.847 29.460 0.009 0.000 1.118 240 W HN 0.130 nan 8.180 nan 0.000 0.587 241 D N -0.700 119.736 120.400 0.060 0.000 2.084 241 D HA -0.284 4.303 4.640 -0.089 0.000 0.196 241 D C 1.901 178.205 176.300 0.006 0.000 0.985 241 D CA 1.419 55.440 54.000 0.036 0.000 0.826 241 D CB -0.537 40.292 40.800 0.048 0.000 0.978 241 D HN 0.188 nan 8.370 nan 0.000 0.456 242 Y N 0.431 120.626 120.300 -0.175 0.000 2.145 242 Y HA -0.181 4.317 4.550 -0.087 0.000 0.286 242 Y C 2.221 177.994 175.900 -0.211 0.000 1.145 242 Y CA 1.511 59.500 58.100 -0.186 0.000 1.148 242 Y CB -0.441 37.872 38.460 -0.245 0.000 0.981 242 Y HN -0.102 nan 8.280 nan 0.000 0.507 243 V N 0.222 120.042 119.914 -0.157 0.000 2.287 243 V HA -0.350 3.717 4.120 -0.089 0.000 0.248 243 V C 2.642 178.696 176.094 -0.068 0.000 1.053 243 V CA 2.284 64.477 62.300 -0.178 0.000 1.027 243 V CB -1.284 30.300 31.823 -0.397 0.000 0.646 243 V HN 0.672 nan 8.190 nan 0.000 0.447 244 S N -0.140 115.562 115.700 0.004 0.000 2.419 244 S HA -0.123 4.294 4.470 -0.089 0.000 0.235 244 S C 1.693 176.267 174.600 -0.043 0.000 1.019 244 S CA 1.611 59.828 58.200 0.028 0.000 0.982 244 S CB -0.497 62.740 63.200 0.061 0.000 0.789 244 S HN 0.562 nan 8.310 nan 0.000 0.490 245 L N -0.122 121.031 121.223 -0.117 0.000 2.640 245 L HA 0.338 4.624 4.340 -0.089 0.000 0.230 245 L C 0.434 177.144 176.870 -0.268 0.000 1.123 245 L CA 0.070 54.812 54.840 -0.163 0.000 0.900 245 L CB 0.104 42.064 42.059 -0.166 0.000 1.146 245 L HN 0.237 nan 8.230 nan 0.000 0.484 246 Q N 0.314 119.921 119.800 -0.322 0.000 3.090 246 Q HA 0.231 4.517 4.340 -0.089 0.000 0.241 246 Q C -1.945 173.850 176.000 -0.342 0.000 0.958 246 Q CA -1.447 54.119 55.803 -0.395 0.000 0.715 246 Q CB 1.582 29.978 28.738 -0.570 0.000 1.298 246 Q HN -0.034 nan 8.270 nan 0.000 0.468 247 P HA -0.216 nan 4.420 nan 0.000 0.223 247 P C 0.909 177.912 177.300 -0.495 0.000 1.144 247 P CA 1.113 63.965 63.100 -0.414 0.000 0.783 247 P CB 0.274 31.694 31.700 -0.467 0.000 0.771 248 E N 0.583 120.393 120.200 -0.650 0.000 2.265 248 E HA -0.160 4.136 4.350 -0.089 0.000 0.196 248 E C 1.466 178.027 176.600 -0.065 0.000 0.996 248 E CA 1.760 58.023 56.400 -0.228 0.000 0.832 248 E CB -1.256 28.380 29.700 -0.106 0.000 0.756 248 E HN 0.292 nan 8.360 nan 0.000 0.491 249 T N -0.472 114.047 114.554 -0.057 0.000 2.995 249 T HA 0.005 4.301 4.350 -0.089 0.000 0.269 249 T C 1.991 176.760 174.700 0.114 0.000 1.091 249 T CA 0.459 62.586 62.100 0.046 0.000 1.128 249 T CB -0.367 68.563 68.868 0.104 0.000 0.891 249 T HN 0.130 nan 8.240 nan 0.000 0.492 250 L N 0.252 121.548 121.223 0.121 0.000 2.012 250 L HA -0.141 4.146 4.340 -0.089 0.000 0.210 250 L C 2.859 179.898 176.870 0.282 0.000 1.073 250 L CA 2.111 57.092 54.840 0.235 0.000 0.748 250 L CB -0.907 41.301 42.059 0.250 0.000 0.891 250 L HN 0.450 nan 8.230 nan 0.000 0.431 251 H N 0.108 119.231 119.070 0.087 0.000 2.265 251 H HA -0.245 4.258 4.556 -0.088 0.000 0.295 251 H C 2.245 177.572 175.328 -0.002 0.000 1.084 251 H CA 2.015 58.113 56.048 0.083 0.000 1.261 251 H CB 0.111 29.879 29.762 0.010 0.000 1.360 251 H HN 0.369 nan 8.280 nan 0.000 0.487 252 N N -0.235 118.286 118.700 -0.298 0.000 2.223 252 N HA -0.141 4.546 4.740 -0.089 0.000 0.185 252 N C 1.961 177.266 175.510 -0.341 0.000 1.016 252 N CA 0.882 53.513 53.050 -0.699 0.000 0.863 252 N CB 0.213 37.803 38.487 -1.495 0.000 0.983 252 N HN 0.128 nan 8.380 nan 0.000 0.429 253 V N 1.655 121.606 119.914 0.063 0.000 2.343 253 V HA -0.253 3.814 4.120 -0.089 0.000 0.247 253 V C 2.493 178.754 176.094 0.278 0.000 1.051 253 V CA 1.268 63.775 62.300 0.344 0.000 1.036 253 V CB -0.364 31.732 31.823 0.456 0.000 0.654 253 V HN 0.398 nan 8.190 nan 0.000 0.451 254 M N -1.533 118.268 119.600 0.335 0.000 2.080 254 M HA -0.222 4.205 4.480 -0.089 0.000 0.260 254 M C 2.111 178.454 176.300 0.073 0.000 1.068 254 M CA 1.977 57.486 55.300 0.348 0.000 1.109 254 M CB -1.186 31.668 32.600 0.423 0.000 1.342 254 M HN 0.475 nan 8.290 nan 0.000 0.405 255 W N 0.507 121.563 121.300 -0.407 0.000 2.363 255 W HA -0.066 4.543 4.660 -0.085 0.000 0.296 255 W C 2.796 179.245 176.519 -0.117 0.000 1.212 255 W CA 1.657 58.724 57.345 -0.463 0.000 1.260 255 W CB -1.059 28.038 29.460 -0.606 0.000 1.131 255 W HN 0.288 nan 8.180 nan 0.000 0.530 256 A N -0.620 122.286 122.820 0.143 0.000 1.972 256 A HA -0.176 4.091 4.320 -0.089 0.000 0.219 256 A C 1.931 179.570 177.584 0.092 0.000 1.169 256 A CA 1.597 53.722 52.037 0.148 0.000 0.635 256 A CB -0.522 18.602 19.000 0.208 0.000 0.810 256 A HN 0.101 nan 8.150 nan 0.000 0.446 257 M N 0.493 120.111 119.600 0.030 0.000 2.506 257 M HA 0.038 4.464 4.480 -0.089 0.000 0.260 257 M C 1.411 177.753 176.300 0.070 0.000 1.104 257 M CA 0.718 55.967 55.300 -0.086 0.000 1.112 257 M CB -1.234 31.052 32.600 -0.524 0.000 1.401 257 M HN 0.542 nan 8.290 nan 0.000 0.473 258 S N 0.137 115.944 115.700 0.179 0.000 2.641 258 S HA 0.118 4.535 4.470 -0.089 0.000 0.261 258 S C 0.692 175.428 174.600 0.226 0.000 1.257 258 S CA -0.483 57.864 58.200 0.246 0.000 0.983 258 S CB 0.926 64.327 63.200 0.336 0.000 0.990 258 S HN 0.186 nan 8.310 nan 0.000 0.572 259 D N 0.120 120.676 120.400 0.261 0.000 2.378 259 D HA 0.033 4.620 4.640 -0.089 0.000 0.227 259 D C 1.777 178.233 176.300 0.260 0.000 1.012 259 D CA 0.260 54.433 54.000 0.287 0.000 0.905 259 D CB -0.158 40.886 40.800 0.406 0.000 0.895 259 D HN 0.363 nan 8.370 nan 0.000 0.532 260 R N 0.275 120.922 120.500 0.245 0.000 2.120 260 R HA -0.047 4.239 4.340 -0.089 0.000 0.234 260 R C 2.041 178.500 176.300 0.264 0.000 1.123 260 R CA 0.961 57.225 56.100 0.273 0.000 0.975 260 R CB -0.774 29.745 30.300 0.365 0.000 0.866 260 R HN 0.186 nan 8.270 nan 0.000 0.446 261 G N 1.073 110.016 108.800 0.239 0.000 2.848 261 G HA2 0.007 3.913 3.960 -0.089 0.000 0.208 261 G HA3 0.007 3.913 3.960 -0.089 0.000 0.208 261 G C 0.975 176.021 174.900 0.243 0.000 1.152 261 G CA 0.034 45.268 45.100 0.224 0.000 0.789 261 G HN 0.406 nan 8.290 nan 0.000 0.531 262 I N -2.336 118.388 120.570 0.256 0.000 2.948 262 I HA 0.357 4.473 4.170 -0.089 0.000 0.308 262 I C -2.877 173.401 176.117 0.269 0.000 1.478 262 I CA -2.558 58.902 61.300 0.266 0.000 0.843 262 I CB 1.647 39.805 38.000 0.264 0.000 2.100 262 I HN -0.283 nan 8.210 nan 0.000 0.625 263 P HA 0.011 nan 4.420 nan 0.000 0.266 263 P C 0.698 178.140 177.300 0.237 0.000 1.193 263 P CA -0.005 63.211 63.100 0.194 0.000 0.770 263 P CB 0.942 32.690 31.700 0.079 0.000 0.836 264 R N 1.862 122.481 120.500 0.199 0.000 2.115 264 R HA 0.018 4.304 4.340 -0.089 0.000 0.230 264 R C 0.406 176.850 176.300 0.241 0.000 1.111 264 R CA 1.553 57.820 56.100 0.279 0.000 0.976 264 R CB -0.227 30.221 30.300 0.246 0.000 0.870 264 R HN 0.504 nan 8.270 nan 0.000 0.445 265 S N -2.973 112.653 115.700 -0.124 0.000 2.567 265 S HA 0.217 4.633 4.470 -0.089 0.000 0.270 265 S C -0.442 173.846 174.600 -0.519 0.000 1.152 265 S CA -0.890 57.044 58.200 -0.442 0.000 0.835 265 S CB 0.145 63.245 63.200 -0.167 0.000 1.115 265 S HN 0.113 nan 8.310 nan 0.000 0.459 266 Y N 1.879 121.811 120.300 -0.613 0.000 2.421 266 Y HA 0.115 4.613 4.550 -0.087 0.000 0.292 266 Y C 2.372 177.926 175.900 -0.576 0.000 1.136 266 Y CA 0.975 58.593 58.100 -0.803 0.000 1.255 266 Y CB -0.321 37.288 38.460 -1.418 0.000 0.991 266 Y HN 0.548 nan 8.280 nan 0.000 0.552 267 R N -0.560 119.806 120.500 -0.223 0.000 2.189 267 R HA -0.034 4.253 4.340 -0.089 0.000 0.218 267 R C 0.984 177.244 176.300 -0.066 0.000 1.074 267 R CA 1.495 57.511 56.100 -0.139 0.000 0.991 267 R CB -0.266 29.947 30.300 -0.144 0.000 0.883 267 R HN 0.301 nan 8.270 nan 0.000 0.457 268 T N -1.502 113.030 114.554 -0.036 0.000 3.316 268 T HA 0.393 4.690 4.350 -0.089 0.000 0.253 268 T C 0.058 174.801 174.700 0.072 0.000 0.995 268 T CA -0.697 61.412 62.100 0.015 0.000 1.031 268 T CB -0.124 68.738 68.868 -0.010 0.000 1.125 268 T HN 0.066 nan 8.240 nan 0.000 0.539 269 M N -1.287 118.402 119.600 0.148 0.000 2.550 269 M HA 0.724 5.150 4.480 -0.089 0.000 0.292 269 M C -1.193 175.283 176.300 0.294 0.000 1.221 269 M CA -0.889 54.533 55.300 0.203 0.000 0.873 269 M CB 2.141 34.856 32.600 0.191 0.000 1.727 269 M HN -0.122 nan 8.290 nan 0.000 0.459 270 E N 0.516 120.877 120.200 0.269 0.000 2.342 270 E HA 0.660 4.957 4.350 -0.089 0.000 0.257 270 E C -0.259 176.392 176.600 0.085 0.000 1.150 270 E CA -0.558 55.924 56.400 0.136 0.000 0.926 270 E CB 1.549 31.259 29.700 0.017 0.000 1.074 270 E HN 0.855 nan 8.360 nan 0.000 0.449 271 G N 0.696 109.353 108.800 -0.239 0.000 2.571 271 G HA2 0.623 4.529 3.960 -0.089 0.000 0.304 271 G HA3 0.623 4.529 3.960 -0.089 0.000 0.304 271 G C -1.478 172.999 174.900 -0.706 0.000 1.314 271 G CA -0.477 44.437 45.100 -0.310 0.000 0.975 271 G HN 0.283 nan 8.290 nan 0.000 0.485 272 F N -0.169 119.685 119.950 -0.160 0.000 2.619 272 F HA 0.506 4.978 4.527 -0.091 0.000 0.308 272 F C 1.095 176.792 175.800 -0.172 0.000 1.097 272 F CA -0.540 57.304 58.000 -0.260 0.000 0.953 272 F CB 2.483 41.274 39.000 -0.348 0.000 1.287 272 F HN 0.604 nan 8.300 nan 0.000 0.446 273 G N 0.730 109.589 108.800 0.098 0.000 2.511 273 G HA2 0.114 4.020 3.960 -0.089 0.000 0.217 273 G HA3 0.114 4.020 3.960 -0.089 0.000 0.217 273 G C 1.188 176.138 174.900 0.084 0.000 1.133 273 G CA 0.930 46.144 45.100 0.191 0.000 0.792 273 G HN 0.801 nan 8.290 nan 0.000 0.539 274 I N -1.206 119.341 120.570 -0.038 0.000 4.639 274 I HA -0.303 3.813 4.170 -0.089 0.000 0.047 274 I C 0.406 176.407 176.117 -0.193 0.000 0.623 274 I CA 1.426 62.582 61.300 -0.239 0.000 0.827 274 I CB -1.181 36.562 38.000 -0.428 0.000 0.758 274 I HN 0.251 nan 8.210 nan 0.000 0.158 275 H N 2.389 121.472 119.070 0.022 0.000 2.690 275 H HA 0.257 4.758 4.556 -0.092 0.000 0.365 275 H C 0.077 175.351 175.328 -0.089 0.000 1.142 275 H CA 0.459 56.435 56.048 -0.121 0.000 1.417 275 H CB 0.414 29.942 29.762 -0.391 0.000 1.446 275 H HN 0.173 nan 8.280 nan 0.000 0.599 276 T N 4.095 118.630 114.554 -0.030 0.000 2.814 276 T HA 0.226 4.523 4.350 -0.089 0.000 0.297 276 T C 0.281 174.930 174.700 -0.085 0.000 0.956 276 T CA 0.048 62.122 62.100 -0.044 0.000 1.123 276 T CB -0.108 68.686 68.868 -0.122 0.000 0.902 276 T HN 0.244 nan 8.240 nan 0.000 0.528 277 F N 1.316 121.251 119.950 -0.025 0.000 2.656 277 F HA 0.672 5.143 4.527 -0.093 0.000 0.394 277 F C 0.990 176.768 175.800 -0.036 0.000 1.168 277 F CA -1.286 56.726 58.000 0.021 0.000 1.135 277 F CB 1.345 40.366 39.000 0.035 0.000 1.480 277 F HN 0.192 nan 8.300 nan 0.000 0.500 278 R N 0.471 121.047 120.500 0.127 0.000 2.686 278 R HA 0.626 4.913 4.340 -0.089 0.000 0.286 278 R C -1.725 174.471 176.300 -0.173 0.000 0.969 278 R CA -0.840 55.197 56.100 -0.105 0.000 0.898 278 R CB 2.021 32.194 30.300 -0.212 0.000 1.183 278 R HN 0.424 nan 8.270 nan 0.000 0.456 279 L N 3.945 125.012 121.223 -0.260 0.000 2.295 279 L HA 0.515 4.802 4.340 -0.089 0.000 0.285 279 L C -0.498 176.219 176.870 -0.255 0.000 1.035 279 L CA -0.855 53.837 54.840 -0.248 0.000 0.806 279 L CB 1.289 43.199 42.059 -0.248 0.000 1.214 279 L HN 0.361 nan 8.230 nan 0.000 0.426 280 I N 3.086 123.528 120.570 -0.213 0.000 2.433 280 I HA 0.305 4.422 4.170 -0.089 0.000 0.292 280 I C -0.134 175.897 176.117 -0.144 0.000 1.001 280 I CA -0.627 60.553 61.300 -0.200 0.000 1.119 280 I CB 1.489 39.378 38.000 -0.185 0.000 1.289 280 I HN 0.631 nan 8.210 nan 0.000 0.438 281 N N 4.777 123.405 118.700 -0.119 0.000 2.538 281 N HA 0.408 5.095 4.740 -0.089 0.000 0.292 281 N C 0.690 176.159 175.510 -0.068 0.000 1.262 281 N CA -0.464 52.535 53.050 -0.086 0.000 0.976 281 N CB 0.548 38.991 38.487 -0.072 0.000 1.161 281 N HN 0.508 nan 8.380 nan 0.000 0.598 282 A N -0.637 122.152 122.820 -0.052 0.000 2.067 282 A HA -0.106 4.161 4.320 -0.089 0.000 0.219 282 A C 1.702 179.265 177.584 -0.035 0.000 1.158 282 A CA 1.094 53.107 52.037 -0.041 0.000 0.661 282 A CB -0.872 18.110 19.000 -0.031 0.000 0.801 282 A HN 0.810 nan 8.150 nan 0.000 0.452 283 E N -1.287 118.893 120.200 -0.033 0.000 2.051 283 E HA 0.102 4.399 4.350 -0.089 0.000 0.192 283 E C 1.362 177.950 176.600 -0.019 0.000 0.991 283 E CA 0.804 57.190 56.400 -0.024 0.000 0.799 283 E CB -0.187 29.500 29.700 -0.021 0.000 0.748 283 E HN 0.748 nan 8.360 nan 0.000 0.449 284 G N 1.422 110.208 108.800 -0.023 0.000 2.173 284 G HA2 -0.210 3.697 3.960 -0.089 0.000 0.142 284 G HA3 -0.210 3.697 3.960 -0.089 0.000 0.142 284 G C 0.014 174.935 174.900 0.034 0.000 1.019 284 G CA -0.057 45.045 45.100 0.003 0.000 0.699 284 G HN 0.169 nan 8.290 nan 0.000 0.495 285 K N 0.849 121.234 120.400 -0.026 0.000 2.326 285 K HA 0.680 4.946 4.320 -0.089 0.000 0.275 285 K C 0.395 176.872 176.600 -0.205 0.000 1.018 285 K CA 0.287 56.536 56.287 -0.064 0.000 0.962 285 K CB 0.821 33.281 32.500 -0.067 0.000 0.953 285 K HN 0.597 nan 8.250 nan 0.000 0.475 286 A N 3.211 125.803 122.820 -0.380 0.000 2.317 286 A HA 0.470 4.737 4.320 -0.089 0.000 0.327 286 A C -0.932 176.327 177.584 -0.542 0.000 1.178 286 A CA -0.640 51.005 52.037 -0.654 0.000 0.817 286 A CB 1.330 19.486 19.000 -1.405 0.000 1.189 286 A HN 0.744 nan 8.150 nan 0.000 0.489 287 T N 2.240 116.504 114.554 -0.485 0.000 2.841 287 T HA 0.509 4.805 4.350 -0.089 0.000 0.285 287 T C -0.712 173.756 174.700 -0.387 0.000 0.991 287 T CA -0.143 61.725 62.100 -0.386 0.000 0.966 287 T CB 0.404 69.144 68.868 -0.212 0.000 0.962 287 T HN 0.335 nan 8.240 nan 0.000 0.438 288 F N 2.303 122.155 119.950 -0.163 0.000 2.529 288 F HA 0.480 4.952 4.527 -0.090 0.000 0.365 288 F C 0.595 176.278 175.800 -0.196 0.000 1.102 288 F CA -0.376 57.528 58.000 -0.160 0.000 1.271 288 F CB 0.565 39.494 39.000 -0.119 0.000 1.120 288 F HN 0.211 nan 8.300 nan 0.000 0.579 289 V N 5.077 124.954 119.914 -0.062 0.000 2.841 289 V HA 0.621 4.687 4.120 -0.089 0.000 0.310 289 V C -1.006 174.864 176.094 -0.373 0.000 1.090 289 V CA -0.806 61.306 62.300 -0.314 0.000 0.930 289 V CB 2.153 33.567 31.823 -0.682 0.000 1.014 289 V HN 0.764 nan 8.190 nan 0.000 0.425 290 R N 4.906 125.233 120.500 -0.289 0.000 2.534 290 R HA 0.538 4.824 4.340 -0.089 0.000 0.301 290 R C -1.663 174.561 176.300 -0.126 0.000 0.961 290 R CA -0.478 55.511 56.100 -0.185 0.000 0.871 290 R CB 2.040 32.350 30.300 0.017 0.000 1.170 290 R HN 0.582 nan 8.270 nan 0.000 0.446 291 F N 2.551 122.555 119.950 0.089 0.000 2.396 291 F HA 0.328 4.801 4.527 -0.091 0.000 0.343 291 F C 1.024 176.777 175.800 -0.078 0.000 1.104 291 F CA 0.015 58.025 58.000 0.016 0.000 1.161 291 F CB 0.753 39.659 39.000 -0.158 0.000 1.146 291 F HN 0.213 nan 8.300 nan 0.000 0.522 292 H N 1.285 120.340 119.070 -0.026 0.000 2.690 292 H HA 0.255 4.759 4.556 -0.087 0.000 0.368 292 H C -1.492 173.598 175.328 -0.397 0.000 1.150 292 H CA -0.976 54.951 56.048 -0.201 0.000 1.174 292 H CB 1.998 31.730 29.762 -0.050 0.000 1.684 292 H HN 0.678 nan 8.280 nan 0.000 0.538 293 W N 2.520 123.702 121.300 -0.197 0.000 2.475 293 W HA 0.286 4.890 4.660 -0.093 0.000 0.320 293 W C -0.155 176.378 176.519 0.023 0.000 1.022 293 W CA -0.740 56.514 57.345 -0.152 0.000 1.240 293 W CB 1.605 30.706 29.460 -0.597 0.000 1.328 293 W HN 0.259 nan 8.180 nan 0.000 0.439 294 K N 6.096 126.760 120.400 0.441 0.000 2.240 294 K HA 0.356 4.622 4.320 -0.089 0.000 0.271 294 K C -2.344 174.493 176.600 0.394 0.000 1.018 294 K CA -1.900 54.586 56.287 0.331 0.000 0.874 294 K CB 1.391 34.035 32.500 0.238 0.000 1.098 294 K HN 0.042 nan 8.250 nan 0.000 0.458 295 P HA 0.024 nan 4.420 nan 0.000 0.270 295 P C 0.317 177.641 177.300 0.039 0.000 1.242 295 P CA 0.045 63.238 63.100 0.156 0.000 0.768 295 P CB 0.642 32.448 31.700 0.176 0.000 0.820 296 L N 2.788 123.981 121.223 -0.051 0.000 2.465 296 L HA -0.050 4.237 4.340 -0.089 0.000 0.224 296 L C 2.211 179.068 176.870 -0.021 0.000 1.145 296 L CA 0.921 55.762 54.840 0.001 0.000 0.834 296 L CB -0.487 41.585 42.059 0.023 0.000 0.944 296 L HN 0.330 nan 8.230 nan 0.000 0.451 297 A N -0.050 122.730 122.820 -0.067 0.000 2.238 297 A HA 0.402 4.669 4.320 -0.089 0.000 0.208 297 A C 1.291 178.875 177.584 0.000 0.000 1.177 297 A CA 0.673 52.686 52.037 -0.040 0.000 0.804 297 A CB -0.343 18.614 19.000 -0.072 0.000 0.823 297 A HN 0.442 nan 8.150 nan 0.000 0.482 298 G N -0.559 108.255 108.800 0.023 0.000 2.796 298 G HA2 -0.154 3.752 3.960 -0.089 0.000 0.571 298 G HA3 -0.154 3.752 3.960 -0.089 0.000 0.571 298 G C -0.610 174.320 174.900 0.049 0.000 1.370 298 G CA -0.348 44.784 45.100 0.053 0.000 0.856 298 G HN 0.495 nan 8.290 nan 0.000 0.538 299 K N 0.170 120.600 120.400 0.050 0.000 2.201 299 K HA 0.700 4.966 4.320 -0.089 0.000 0.278 299 K C 0.202 176.784 176.600 -0.031 0.000 1.027 299 K CA 0.243 56.541 56.287 0.017 0.000 0.909 299 K CB 1.741 34.239 32.500 -0.003 0.000 1.062 299 K HN 1.440 nan 8.250 nan 0.000 0.465 300 A N 1.841 124.635 122.820 -0.042 0.000 2.513 300 A HA 0.561 4.828 4.320 -0.089 0.000 0.296 300 A C -1.096 176.522 177.584 0.056 0.000 1.052 300 A CA -0.672 51.286 52.037 -0.131 0.000 0.714 300 A CB 1.671 20.435 19.000 -0.394 0.000 1.279 300 A HN 0.508 nan 8.150 nan 0.000 0.397 301 S N 0.787 116.674 115.700 0.312 0.000 2.634 301 S HA 0.758 5.175 4.470 -0.089 0.000 0.296 301 S C 0.152 175.064 174.600 0.520 0.000 1.104 301 S CA -0.591 57.841 58.200 0.388 0.000 0.920 301 S CB 1.196 64.627 63.200 0.386 0.000 1.111 301 S HN 0.641 nan 8.310 nan 0.000 0.493 302 L N 1.154 122.578 121.223 0.335 0.000 2.598 302 L HA 0.548 4.834 4.340 -0.089 0.000 0.202 302 L C -0.144 176.844 176.870 0.196 0.000 1.190 302 L CA -0.646 54.317 54.840 0.204 0.000 0.869 302 L CB 0.096 42.188 42.059 0.055 0.000 1.529 302 L HN 0.488 nan 8.230 nan 0.000 0.520 303 V N -3.768 116.154 119.914 0.013 0.000 2.823 303 V HA 0.184 4.251 4.120 -0.089 0.000 0.312 303 V C 0.567 176.597 176.094 -0.106 0.000 1.072 303 V CA -0.936 61.333 62.300 -0.051 0.000 0.937 303 V CB 1.593 33.348 31.823 -0.113 0.000 1.013 303 V HN 0.908 nan 8.190 nan 0.000 0.430 304 W N 2.254 123.414 121.300 -0.233 0.000 2.290 304 W HA -0.288 4.318 4.660 -0.090 0.000 0.323 304 W C 1.746 178.104 176.519 -0.269 0.000 1.260 304 W CA 2.861 60.063 57.345 -0.237 0.000 1.266 304 W CB -0.074 29.233 29.460 -0.255 0.000 1.149 304 W HN 1.034 nan 8.180 nan 0.000 0.482 305 D N -0.010 120.080 120.400 -0.517 0.000 2.123 305 D HA -0.285 4.302 4.640 -0.089 0.000 0.196 305 D C 2.167 178.092 176.300 -0.626 0.000 0.992 305 D CA 2.181 55.848 54.000 -0.555 0.000 0.833 305 D CB -0.531 40.193 40.800 -0.125 0.000 0.954 305 D HN 0.374 nan 8.370 nan 0.000 0.455 306 E N -0.301 119.385 120.200 -0.856 0.000 2.051 306 E HA -0.236 4.060 4.350 -0.089 0.000 0.192 306 E C 2.028 178.284 176.600 -0.573 0.000 0.991 306 E CA 1.156 57.029 56.400 -0.878 0.000 0.799 306 E CB -0.247 28.837 29.700 -1.025 0.000 0.748 306 E HN 0.314 nan 8.360 nan 0.000 0.449 307 A N 1.212 123.716 122.820 -0.526 0.000 1.865 307 A HA -0.283 3.983 4.320 -0.089 0.000 0.217 307 A C 2.202 179.456 177.584 -0.549 0.000 1.191 307 A CA 1.957 53.732 52.037 -0.437 0.000 0.623 307 A CB -0.811 18.042 19.000 -0.246 0.000 0.826 307 A HN 0.482 nan 8.150 nan 0.000 0.444 308 Q N -0.580 118.681 119.800 -0.899 0.000 2.119 308 Q HA -0.192 4.095 4.340 -0.089 0.000 0.201 308 Q C 2.104 177.831 176.000 -0.456 0.000 0.972 308 Q CA 1.898 57.206 55.803 -0.824 0.000 0.847 308 Q CB -0.121 27.846 28.738 -1.286 0.000 0.903 308 Q HN 0.674 nan 8.270 nan 0.000 0.433 309 K N -0.203 119.951 120.400 -0.411 0.000 2.217 309 K HA -0.113 4.153 4.320 -0.089 0.000 0.202 309 K C 1.930 178.394 176.600 -0.226 0.000 1.051 309 K CA 0.501 56.641 56.287 -0.245 0.000 0.952 309 K CB 0.017 32.419 32.500 -0.163 0.000 0.736 309 K HN 0.178 nan 8.250 nan 0.000 0.453 310 L N 1.259 122.304 121.223 -0.297 0.000 2.217 310 L HA -0.099 4.187 4.340 -0.089 0.000 0.211 310 L C 2.102 178.839 176.870 -0.222 0.000 1.107 310 L CA 2.078 56.740 54.840 -0.296 0.000 0.783 310 L CB -0.774 41.016 42.059 -0.449 0.000 0.919 310 L HN 0.388 nan 8.230 nan 0.000 0.442 311 T N -4.301 110.126 114.554 -0.212 0.000 2.881 311 T HA -0.085 4.212 4.350 -0.089 0.000 0.270 311 T C 1.834 176.472 174.700 -0.103 0.000 1.068 311 T CA 1.058 63.074 62.100 -0.139 0.000 1.131 311 T CB -0.946 67.853 68.868 -0.116 0.000 0.871 311 T HN 0.374 nan 8.240 nan 0.000 0.479 312 G N 0.992 109.725 108.800 -0.111 0.000 2.441 312 G HA2 0.021 3.927 3.960 -0.089 0.000 0.212 312 G HA3 0.021 3.927 3.960 -0.089 0.000 0.212 312 G C 1.907 176.766 174.900 -0.067 0.000 1.164 312 G CA -0.295 44.758 45.100 -0.079 0.000 0.811 312 G HN 0.308 nan 8.290 nan 0.000 0.535 313 R N 0.271 120.723 120.500 -0.080 0.000 2.115 313 R HA 0.048 4.334 4.340 -0.089 0.000 0.226 313 R C -0.180 176.098 176.300 -0.037 0.000 1.100 313 R CA 0.808 56.874 56.100 -0.056 0.000 0.980 313 R CB -0.173 30.090 30.300 -0.062 0.000 0.875 313 R HN 0.339 nan 8.270 nan 0.000 0.445 314 D N -0.371 120.002 120.400 -0.044 0.000 2.411 314 D HA 0.144 4.731 4.640 -0.089 0.000 0.239 314 D C -2.161 174.141 176.300 0.004 0.000 1.307 314 D CA -1.788 52.217 54.000 0.007 0.000 0.930 314 D CB 1.391 42.244 40.800 0.088 0.000 1.395 314 D HN -0.149 nan 8.370 nan 0.000 0.536 315 P HA 0.042 nan 4.420 nan 0.000 0.234 315 P C -0.049 177.251 177.300 0.001 0.000 1.167 315 P CA 0.569 63.656 63.100 -0.022 0.000 0.763 315 P CB 0.488 32.171 31.700 -0.027 0.000 0.835 316 D N -1.543 118.869 120.400 0.020 0.000 2.501 316 D HA 0.086 4.672 4.640 -0.089 0.000 0.226 316 D C 1.143 177.469 176.300 0.043 0.000 1.198 316 D CA -0.488 53.525 54.000 0.021 0.000 0.830 316 D CB -0.451 40.341 40.800 -0.014 0.000 1.014 316 D HN 0.094 nan 8.370 nan 0.000 0.496 317 F N 1.355 121.244 119.950 -0.102 0.000 2.095 317 F HA -0.242 4.231 4.527 -0.090 0.000 0.298 317 F C 2.061 177.833 175.800 -0.045 0.000 1.104 317 F CA 1.925 59.862 58.000 -0.105 0.000 1.232 317 F CB 0.067 38.956 39.000 -0.184 0.000 0.987 317 F HN 0.109 nan 8.300 nan 0.000 0.475 318 H N -1.257 117.709 119.070 -0.173 0.000 2.403 318 H HA -0.059 4.443 4.556 -0.090 0.000 0.298 318 H C 2.366 177.559 175.328 -0.226 0.000 1.059 318 H CA 0.785 56.582 56.048 -0.418 0.000 1.363 318 H CB -0.108 29.244 29.762 -0.683 0.000 1.410 318 H HN 0.173 nan 8.280 nan 0.000 0.528 319 R N 1.320 121.888 120.500 0.113 0.000 2.091 319 R HA -0.139 4.148 4.340 -0.089 0.000 0.238 319 R C 2.435 178.830 176.300 0.157 0.000 1.136 319 R CA 1.368 57.595 56.100 0.212 0.000 0.959 319 R CB -0.019 30.394 30.300 0.188 0.000 0.856 319 R HN 0.201 nan 8.270 nan 0.000 0.437 320 R N 0.409 120.924 120.500 0.024 0.000 2.066 320 R HA -0.183 4.104 4.340 -0.089 0.000 0.232 320 R C 2.191 178.481 176.300 -0.016 0.000 1.131 320 R CA 1.964 58.063 56.100 -0.003 0.000 0.955 320 R CB -0.223 30.034 30.300 -0.072 0.000 0.851 320 R HN 0.276 nan 8.270 nan 0.000 0.432 321 E N 0.717 120.795 120.200 -0.204 0.000 2.085 321 E HA -0.228 4.068 4.350 -0.089 0.000 0.194 321 E C 1.897 178.460 176.600 -0.062 0.000 0.994 321 E CA 1.467 57.726 56.400 -0.234 0.000 0.801 321 E CB -0.434 28.954 29.700 -0.521 0.000 0.743 321 E HN 0.337 nan 8.360 nan 0.000 0.453 322 L N 0.120 121.348 121.223 0.009 0.000 2.005 322 L HA -0.084 4.202 4.340 -0.089 0.000 0.207 322 L C 2.256 179.217 176.870 0.153 0.000 1.072 322 L CA 2.159 57.052 54.840 0.090 0.000 0.744 322 L CB -1.007 41.171 42.059 0.198 0.000 0.895 322 L HN 0.432 nan 8.230 nan 0.000 0.433 323 W N 0.953 122.283 121.300 0.050 0.000 2.335 323 W HA -0.237 4.369 4.660 -0.091 0.000 0.311 323 W C 2.229 178.775 176.519 0.045 0.000 1.213 323 W CA 2.301 59.687 57.345 0.070 0.000 1.274 323 W CB -0.186 29.317 29.460 0.071 0.000 1.148 323 W HN 0.354 nan 8.180 nan 0.000 0.498 324 E N -0.222 120.160 120.200 0.303 0.000 2.208 324 E HA -0.095 4.202 4.350 -0.089 0.000 0.193 324 E C 2.304 178.937 176.600 0.055 0.000 0.988 324 E CA 0.850 57.348 56.400 0.163 0.000 0.828 324 E CB -0.249 29.499 29.700 0.080 0.000 0.763 324 E HN 0.193 nan 8.360 nan 0.000 0.478 325 A N 1.213 124.060 122.820 0.046 0.000 1.873 325 A HA -0.142 4.124 4.320 -0.089 0.000 0.215 325 A C 2.136 179.754 177.584 0.057 0.000 1.186 325 A CA 0.915 52.974 52.037 0.036 0.000 0.616 325 A CB -0.461 18.557 19.000 0.030 0.000 0.823 325 A HN 0.123 nan 8.150 nan 0.000 0.442 326 I N -0.293 120.325 120.570 0.081 0.000 2.286 326 I HA -0.234 3.883 4.170 -0.089 0.000 0.248 326 I C 2.373 178.563 176.117 0.121 0.000 1.115 326 I CA 1.367 62.762 61.300 0.158 0.000 1.392 326 I CB -0.369 37.645 38.000 0.023 0.000 1.065 326 I HN 0.420 nan 8.210 nan 0.000 0.418 327 E N 0.813 121.034 120.200 0.035 0.000 2.204 327 E HA -0.134 4.162 4.350 -0.089 0.000 0.194 327 E C 2.123 178.751 176.600 0.047 0.000 0.989 327 E CA 1.077 57.511 56.400 0.056 0.000 0.824 327 E CB -0.050 29.714 29.700 0.106 0.000 0.756 327 E HN 0.495 nan 8.360 nan 0.000 0.477 328 A N 0.236 123.063 122.820 0.012 0.000 2.208 328 A HA 0.231 4.498 4.320 -0.089 0.000 0.209 328 A C 1.716 179.255 177.584 -0.074 0.000 1.161 328 A CA 0.860 52.887 52.037 -0.017 0.000 0.782 328 A CB -0.102 18.877 19.000 -0.034 0.000 0.816 328 A HN 0.314 nan 8.150 nan 0.000 0.477 329 G N -0.377 108.313 108.800 -0.183 0.000 2.141 329 G HA2 -0.190 3.717 3.960 -0.089 0.000 0.242 329 G HA3 -0.190 3.717 3.960 -0.089 0.000 0.242 329 G C -0.264 174.195 174.900 -0.735 0.000 0.982 329 G CA 0.232 44.945 45.100 -0.644 0.000 0.662 329 G HN 0.439 nan 8.290 nan 0.000 0.527 330 D N 0.863 121.067 120.400 -0.326 0.000 3.057 330 D HA 0.273 4.860 4.640 -0.089 0.000 0.246 330 D C 0.842 177.097 176.300 -0.076 0.000 1.238 330 D CA -0.278 53.618 54.000 -0.174 0.000 0.949 330 D CB -0.655 40.138 40.800 -0.012 0.000 1.086 330 D HN 0.455 nan 8.370 nan 0.000 0.487 331 F N 1.408 121.354 119.950 -0.006 0.000 2.612 331 F HA 0.065 4.539 4.527 -0.089 0.000 0.389 331 F C -1.407 174.353 175.800 -0.068 0.000 1.055 331 F CA -1.831 56.154 58.000 -0.025 0.000 1.232 331 F CB -0.147 38.847 39.000 -0.009 0.000 1.044 331 F HN -0.102 nan 8.300 nan 0.000 0.560 332 P HA 0.044 nan 4.420 nan 0.000 0.263 332 P C -1.041 176.181 177.300 -0.131 0.000 1.195 332 P CA 0.325 63.384 63.100 -0.068 0.000 0.762 332 P CB 0.486 32.211 31.700 0.040 0.000 0.799 333 E N 2.494 122.482 120.200 -0.353 0.000 2.246 333 E HA 0.407 4.703 4.350 -0.089 0.000 0.266 333 E C -1.099 175.230 176.600 -0.451 0.000 0.880 333 E CA -0.556 55.699 56.400 -0.241 0.000 0.762 333 E CB 1.302 30.962 29.700 -0.066 0.000 1.180 333 E HN 0.382 nan 8.360 nan 0.000 0.416 334 Y N 0.457 120.838 120.300 0.134 0.000 2.499 334 Y HA 0.298 4.796 4.550 -0.086 0.000 0.347 334 Y C -0.109 176.029 175.900 0.397 0.000 0.987 334 Y CA -0.996 57.261 58.100 0.262 0.000 1.044 334 Y CB 1.898 40.517 38.460 0.265 0.000 1.245 334 Y HN 0.434 nan 8.280 nan 0.000 0.461 335 E N 2.411 122.939 120.200 0.546 0.000 2.156 335 E HA 0.379 4.675 4.350 -0.089 0.000 0.279 335 E C -1.480 175.377 176.600 0.429 0.000 0.965 335 E CA -0.978 55.681 56.400 0.431 0.000 0.789 335 E CB 1.045 30.933 29.700 0.313 0.000 1.098 335 E HN 0.575 nan 8.360 nan 0.000 0.397 336 L N 4.269 125.662 121.223 0.284 0.000 2.367 336 L HA 0.495 4.781 4.340 -0.089 0.000 0.275 336 L C -0.129 176.648 176.870 -0.155 0.000 1.129 336 L CA 0.547 55.275 54.840 -0.187 0.000 0.839 336 L CB 0.989 42.886 42.059 -0.270 0.000 1.133 336 L HN 0.549 nan 8.230 nan 0.000 0.453 337 G N 4.711 113.446 108.800 -0.109 0.000 2.591 337 G HA2 0.550 4.456 3.960 -0.089 0.000 0.306 337 G HA3 0.550 4.456 3.960 -0.089 0.000 0.306 337 G C -1.513 173.501 174.900 0.190 0.000 1.334 337 G CA -0.518 44.558 45.100 -0.040 0.000 0.981 337 G HN 0.479 nan 8.290 nan 0.000 0.491 338 F N 0.232 120.172 119.950 -0.018 0.000 2.469 338 F HA 0.405 4.879 4.527 -0.088 0.000 0.332 338 F C 0.515 176.280 175.800 -0.057 0.000 1.103 338 F CA -0.970 57.015 58.000 -0.026 0.000 0.979 338 F CB 2.532 41.505 39.000 -0.045 0.000 1.137 338 F HN 0.115 nan 8.300 nan 0.000 0.463 339 Q N 4.146 124.029 119.800 0.138 0.000 2.360 339 Q HA 0.440 4.727 4.340 -0.089 0.000 0.254 339 Q C -1.110 174.916 176.000 0.043 0.000 0.975 339 Q CA -0.450 55.390 55.803 0.061 0.000 0.912 339 Q CB 1.627 30.408 28.738 0.071 0.000 1.212 339 Q HN 0.538 nan 8.270 nan 0.000 0.452 340 L N 4.529 125.789 121.223 0.062 0.000 2.296 340 L HA 0.550 4.837 4.340 -0.089 0.000 0.286 340 L C -0.761 176.154 176.870 0.075 0.000 1.023 340 L CA -0.713 54.155 54.840 0.046 0.000 0.812 340 L CB 1.073 43.166 42.059 0.057 0.000 1.223 340 L HN 0.492 nan 8.230 nan 0.000 0.421 341 I N 4.697 125.326 120.570 0.097 0.000 2.447 341 I HA 0.411 4.528 4.170 -0.089 0.000 0.287 341 I C -2.311 173.899 176.117 0.154 0.000 1.023 341 I CA -1.941 59.461 61.300 0.169 0.000 1.083 341 I CB 1.782 39.922 38.000 0.233 0.000 1.245 341 I HN 0.312 nan 8.210 nan 0.000 0.434 342 P HA 0.053 nan 4.420 nan 0.000 0.268 342 P C 0.709 178.057 177.300 0.080 0.000 1.205 342 P CA -0.157 62.964 63.100 0.035 0.000 0.771 342 P CB 0.829 32.548 31.700 0.031 0.000 0.858 343 E N 1.837 121.987 120.200 -0.083 0.000 2.130 343 E HA -0.286 4.011 4.350 -0.089 0.000 0.196 343 E C 0.828 177.499 176.600 0.118 0.000 0.998 343 E CA 1.577 57.925 56.400 -0.087 0.000 0.806 343 E CB 0.006 29.563 29.700 -0.239 0.000 0.738 343 E HN 0.438 nan 8.360 nan 0.000 0.459 344 E N 0.520 120.764 120.200 0.073 0.000 2.338 344 E HA -0.130 4.167 4.350 -0.089 0.000 0.197 344 E C 1.011 177.662 176.600 0.085 0.000 1.007 344 E CA 1.090 57.541 56.400 0.084 0.000 0.849 344 E CB 0.050 29.782 29.700 0.053 0.000 0.774 344 E HN 0.276 nan 8.360 nan 0.000 0.506 345 D N 0.135 120.589 120.400 0.090 0.000 2.339 345 D HA -0.034 4.552 4.640 -0.089 0.000 0.217 345 D C 1.336 177.658 176.300 0.037 0.000 1.050 345 D CA 0.134 54.166 54.000 0.052 0.000 0.856 345 D CB 0.002 40.852 40.800 0.084 0.000 0.922 345 D HN 0.264 nan 8.370 nan 0.000 0.518 346 E N 0.033 120.222 120.200 -0.017 0.000 2.113 346 E HA -0.245 4.051 4.350 -0.089 0.000 0.210 346 E C 0.364 176.669 176.600 -0.492 0.000 1.040 346 E CA 1.360 57.529 56.400 -0.385 0.000 0.847 346 E CB -0.102 29.140 29.700 -0.763 0.000 0.755 346 E HN 0.302 nan 8.360 nan 0.000 0.459 347 F N -0.428 119.535 119.950 0.021 0.000 2.713 347 F HA 0.264 4.737 4.527 -0.089 0.000 0.294 347 F C 1.178 176.920 175.800 -0.097 0.000 1.152 347 F CA -0.179 57.807 58.000 -0.023 0.000 1.385 347 F CB 0.487 39.480 39.000 -0.012 0.000 0.981 347 F HN -0.150 nan 8.300 nan 0.000 0.514 348 K N -0.116 120.217 120.400 -0.112 0.000 2.404 348 K HA 0.161 4.427 4.320 -0.089 0.000 0.194 348 K C -0.250 175.976 176.600 -0.623 0.000 1.023 348 K CA 0.162 56.227 56.287 -0.370 0.000 1.094 348 K CB 0.271 32.482 32.500 -0.482 0.000 0.841 348 K HN 0.134 nan 8.250 nan 0.000 0.523 349 F N 0.559 120.350 119.950 -0.264 0.000 2.509 349 F HA 0.116 4.591 4.527 -0.088 0.000 0.334 349 F C 1.102 176.687 175.800 -0.359 0.000 1.060 349 F CA -1.374 56.358 58.000 -0.446 0.000 0.997 349 F CB 0.647 39.025 39.000 -1.038 0.000 1.271 349 F HN -0.027 nan 8.300 nan 0.000 0.488 350 D N -0.536 119.827 120.400 -0.061 0.000 2.319 350 D HA 0.078 4.664 4.640 -0.089 0.000 0.230 350 D C -0.525 175.851 176.300 0.127 0.000 1.094 350 D CA 0.107 54.138 54.000 0.052 0.000 0.856 350 D CB -0.894 39.972 40.800 0.109 0.000 0.915 350 D HN 0.239 nan 8.370 nan 0.000 0.517 351 F N -1.914 118.117 119.950 0.136 0.000 2.603 351 F HA 0.523 4.996 4.527 -0.090 0.000 0.317 351 F C -0.285 175.520 175.800 0.008 0.000 1.066 351 F CA -1.773 56.235 58.000 0.013 0.000 0.941 351 F CB 0.947 39.899 39.000 -0.079 0.000 1.291 351 F HN -0.336 nan 8.300 nan 0.000 0.472 352 D N 1.744 122.206 120.400 0.103 0.000 2.351 352 D HA 0.184 4.771 4.640 -0.089 0.000 0.251 352 D C 0.953 177.257 176.300 0.005 0.000 1.137 352 D CA 0.040 54.059 54.000 0.032 0.000 0.879 352 D CB 1.470 42.310 40.800 0.067 0.000 1.181 352 D HN 0.757 nan 8.370 nan 0.000 0.448 353 L N 3.439 124.597 121.223 -0.109 0.000 2.201 353 L HA -0.117 4.169 4.340 -0.089 0.000 0.212 353 L C 2.100 178.867 176.870 -0.172 0.000 1.105 353 L CA 0.621 55.364 54.840 -0.163 0.000 0.775 353 L CB -0.083 41.736 42.059 -0.399 0.000 0.913 353 L HN 0.449 nan 8.230 nan 0.000 0.440 354 L N -0.750 120.396 121.223 -0.129 0.000 2.610 354 L HA -0.013 4.273 4.340 -0.089 0.000 0.232 354 L C 0.480 177.305 176.870 -0.075 0.000 1.149 354 L CA -0.019 54.808 54.840 -0.022 0.000 0.872 354 L CB -0.426 41.730 42.059 0.162 0.000 0.992 354 L HN 0.142 nan 8.230 nan 0.000 0.447 355 D N 1.689 121.801 120.400 -0.479 0.000 2.347 355 D HA 0.107 4.693 4.640 -0.089 0.000 0.235 355 D C -1.568 174.497 176.300 -0.392 0.000 1.149 355 D CA -2.368 51.070 54.000 -0.936 0.000 0.850 355 D CB 1.488 41.472 40.800 -1.359 0.000 1.061 355 D HN -0.070 nan 8.370 nan 0.000 0.487 356 P HA -0.033 nan 4.420 nan 0.000 0.242 356 P C 0.721 177.919 177.300 -0.170 0.000 1.197 356 P CA 0.574 63.602 63.100 -0.119 0.000 0.765 356 P CB -0.016 31.711 31.700 0.045 0.000 0.936 357 T N -4.505 109.929 114.554 -0.201 0.000 3.105 357 T HA 0.198 4.494 4.350 -0.089 0.000 0.253 357 T C 0.636 175.231 174.700 -0.175 0.000 1.047 357 T CA -0.238 61.757 62.100 -0.175 0.000 0.944 357 T CB -0.100 68.709 68.868 -0.098 0.000 1.016 357 T HN -0.156 nan 8.240 nan 0.000 0.544 358 K N 2.211 122.418 120.400 -0.322 0.000 2.292 358 K HA 0.568 4.835 4.320 -0.089 0.000 0.257 358 K C -0.465 175.924 176.600 -0.350 0.000 0.940 358 K CA -0.829 55.146 56.287 -0.520 0.000 0.811 358 K CB 2.345 34.390 32.500 -0.758 0.000 1.120 358 K HN 0.300 nan 8.250 nan 0.000 0.428 359 L N -0.156 120.999 121.223 -0.114 0.000 2.387 359 L HA 0.651 4.938 4.340 -0.089 0.000 0.266 359 L C -0.041 176.636 176.870 -0.321 0.000 1.059 359 L CA -0.418 54.315 54.840 -0.178 0.000 0.801 359 L CB 0.367 42.392 42.059 -0.057 0.000 1.223 359 L HN 0.458 nan 8.230 nan 0.000 0.456 360 I N 1.725 122.203 120.570 -0.153 0.000 2.306 360 I HA 0.356 4.472 4.170 -0.089 0.000 0.288 360 I C -2.115 174.022 176.117 0.035 0.000 1.036 360 I CA -1.745 59.524 61.300 -0.052 0.000 1.221 360 I CB 0.995 38.979 38.000 -0.027 0.000 1.385 360 I HN 0.457 nan 8.210 nan 0.000 0.472 361 P HA 0.005 nan 4.420 nan 0.000 0.262 361 P C 0.360 177.727 177.300 0.112 0.000 1.182 361 P CA 0.177 63.327 63.100 0.083 0.000 0.761 361 P CB 0.630 32.371 31.700 0.068 0.000 0.795 362 E N 1.615 121.887 120.200 0.121 0.000 2.268 362 E HA -0.183 4.114 4.350 -0.089 0.000 0.195 362 E C 1.412 178.065 176.600 0.088 0.000 0.995 362 E CA 0.691 57.150 56.400 0.098 0.000 0.836 362 E CB 0.017 29.777 29.700 0.099 0.000 0.763 362 E HN 0.486 nan 8.360 nan 0.000 0.491 363 E N 0.337 120.592 120.200 0.091 0.000 2.204 363 E HA -0.127 4.169 4.350 -0.089 0.000 0.194 363 E C 1.986 178.650 176.600 0.106 0.000 0.989 363 E CA 0.706 57.157 56.400 0.084 0.000 0.824 363 E CB 0.101 29.846 29.700 0.074 0.000 0.756 363 E HN 0.358 nan 8.360 nan 0.000 0.477 364 L N -0.478 120.830 121.223 0.142 0.000 2.168 364 L HA 0.052 4.338 4.340 -0.089 0.000 0.203 364 L C 0.551 177.541 176.870 0.201 0.000 1.078 364 L CA 0.454 55.416 54.840 0.202 0.000 0.780 364 L CB 0.490 42.740 42.059 0.318 0.000 0.939 364 L HN -0.205 nan 8.230 nan 0.000 0.451 365 V N 1.606 121.612 119.914 0.155 0.000 2.445 365 V HA 0.282 4.348 4.120 -0.089 0.000 0.283 365 V C -2.331 173.806 176.094 0.072 0.000 1.014 365 V CA -1.362 61.013 62.300 0.125 0.000 0.852 365 V CB 1.670 33.561 31.823 0.113 0.000 1.021 365 V HN -0.022 nan 8.190 nan 0.000 0.435 366 P HA 0.143 nan 4.420 nan 0.000 0.269 366 P C -0.264 177.031 177.300 -0.009 0.000 1.215 366 P CA 0.102 63.219 63.100 0.028 0.000 0.780 366 P CB 1.321 33.043 31.700 0.037 0.000 0.898 367 V N 3.347 123.224 119.914 -0.061 0.000 2.488 367 V HA 0.096 4.163 4.120 -0.089 0.000 0.277 367 V C 0.883 176.958 176.094 -0.031 0.000 1.046 367 V CA 0.055 62.284 62.300 -0.118 0.000 0.986 367 V CB 0.347 32.013 31.823 -0.262 0.000 0.989 367 V HN 0.559 nan 8.190 nan 0.000 0.475 368 Q N 5.352 125.150 119.800 -0.004 0.000 2.274 368 Q HA 0.333 4.620 4.340 -0.089 0.000 0.256 368 Q C -0.201 175.779 176.000 -0.033 0.000 0.927 368 Q CA -0.724 55.080 55.803 0.002 0.000 0.939 368 Q CB 0.730 29.478 28.738 0.017 0.000 1.201 368 Q HN 0.646 nan 8.270 nan 0.000 0.426 369 R N 3.014 123.530 120.500 0.027 0.000 2.404 369 R HA 0.052 4.339 4.340 -0.089 0.000 0.315 369 R C 0.313 176.625 176.300 0.020 0.000 1.032 369 R CA -0.193 55.960 56.100 0.089 0.000 0.992 369 R CB 0.563 31.014 30.300 0.252 0.000 0.959 369 R HN 0.497 nan 8.270 nan 0.000 0.428 370 V N 1.764 121.542 119.914 -0.226 0.000 3.212 370 V HA 0.242 4.309 4.120 -0.089 0.000 0.244 370 V C 0.963 176.759 176.094 -0.497 0.000 1.151 370 V CA 1.143 63.214 62.300 -0.382 0.000 1.119 370 V CB 0.775 32.133 31.823 -0.775 0.000 0.838 370 V HN 1.028 nan 8.190 nan 0.000 0.470 371 G N -0.252 108.095 108.800 -0.755 0.000 2.430 371 G HA2 0.479 4.385 3.960 -0.089 0.000 0.300 371 G HA3 0.479 4.385 3.960 -0.089 0.000 0.300 371 G C -1.785 172.744 174.900 -0.617 0.000 1.330 371 G CA -0.538 43.938 45.100 -1.040 0.000 0.813 371 G HN 0.076 nan 8.290 nan 0.000 0.487 372 K N -0.648 119.481 120.400 -0.453 0.000 2.422 372 K HA 0.738 5.004 4.320 -0.089 0.000 0.251 372 K C -0.955 175.734 176.600 0.148 0.000 0.933 372 K CA -0.862 55.458 56.287 0.055 0.000 0.798 372 K CB 2.178 34.781 32.500 0.171 0.000 1.238 372 K HN 0.650 nan 8.250 nan 0.000 0.428 373 M N 4.628 124.440 119.600 0.352 0.000 2.311 373 M HA 0.385 4.811 4.480 -0.089 0.000 0.325 373 M C -1.769 174.514 176.300 -0.028 0.000 1.061 373 M CA -0.749 54.679 55.300 0.213 0.000 0.957 373 M CB 1.763 34.524 32.600 0.269 0.000 1.646 373 M HN 0.374 nan 8.290 nan 0.000 0.434 374 V N 5.647 125.361 119.914 -0.333 0.000 2.448 374 V HA 0.446 4.512 4.120 -0.089 0.000 0.295 374 V C -0.868 175.065 176.094 -0.269 0.000 1.025 374 V CA -0.820 61.283 62.300 -0.328 0.000 0.859 374 V CB 1.686 33.157 31.823 -0.588 0.000 0.988 374 V HN 0.683 nan 8.190 nan 0.000 0.431 375 L N 5.919 127.073 121.223 -0.115 0.000 2.264 375 L HA 0.471 4.758 4.340 -0.089 0.000 0.287 375 L C 0.696 177.438 176.870 -0.214 0.000 1.039 375 L CA 0.088 54.864 54.840 -0.106 0.000 0.829 375 L CB 0.911 42.969 42.059 -0.002 0.000 1.211 375 L HN 0.852 nan 8.230 nan 0.000 0.427 376 N N 1.668 120.143 118.700 -0.376 0.000 2.197 376 N HA 0.159 4.846 4.740 -0.089 0.000 0.228 376 N C 0.039 175.325 175.510 -0.373 0.000 1.212 376 N CA -0.235 52.307 53.050 -0.846 0.000 0.883 376 N CB 0.729 38.450 38.487 -1.276 0.000 1.107 376 N HN 0.260 nan 8.380 nan 0.000 0.519 377 R N 0.568 120.970 120.500 -0.162 0.000 2.522 377 R HA 0.286 4.573 4.340 -0.089 0.000 0.273 377 R C -1.319 174.926 176.300 -0.091 0.000 1.133 377 R CA -0.421 55.614 56.100 -0.109 0.000 0.969 377 R CB 1.298 31.548 30.300 -0.085 0.000 1.235 377 R HN 0.105 nan 8.270 nan 0.000 0.433 378 N N 3.152 121.681 118.700 -0.285 0.000 2.424 378 N HA 0.326 5.013 4.740 -0.089 0.000 0.257 378 N C -2.208 173.238 175.510 -0.106 0.000 1.250 378 N CA -1.194 51.558 53.050 -0.498 0.000 0.946 378 N CB 0.484 38.032 38.487 -1.565 0.000 1.175 378 N HN 0.284 nan 8.380 nan 0.000 0.477 379 P HA 0.133 nan 4.420 nan 0.000 0.273 379 P C 0.132 177.610 177.300 0.297 0.000 1.250 379 P CA -0.109 63.177 63.100 0.311 0.000 0.793 379 P CB 0.993 32.924 31.700 0.385 0.000 1.011 380 D N -1.084 119.463 120.400 0.244 0.000 2.201 380 D HA -0.017 4.570 4.640 -0.089 0.000 0.209 380 D C 0.379 176.846 176.300 0.278 0.000 0.961 380 D CA 1.336 55.475 54.000 0.231 0.000 0.861 380 D CB 0.184 41.063 40.800 0.131 0.000 0.997 380 D HN 0.378 nan 8.370 nan 0.000 0.486 381 N N -0.112 118.743 118.700 0.259 0.000 2.461 381 N HA 0.009 4.696 4.740 -0.089 0.000 0.284 381 N C 0.111 175.815 175.510 0.323 0.000 1.049 381 N CA -0.329 52.887 53.050 0.276 0.000 0.889 381 N CB 1.508 40.126 38.487 0.219 0.000 1.365 381 N HN -0.166 nan 8.380 nan 0.000 0.499 382 F N 4.510 124.608 119.950 0.247 0.000 2.065 382 F HA -0.205 4.268 4.527 -0.090 0.000 0.298 382 F C 1.677 177.603 175.800 0.210 0.000 1.112 382 F CA 1.639 59.786 58.000 0.246 0.000 1.212 382 F CB -0.175 38.943 39.000 0.197 0.000 0.975 382 F HN 0.607 nan 8.300 nan 0.000 0.476 383 F N 0.805 120.978 119.950 0.372 0.000 2.069 383 F HA -0.181 4.294 4.527 -0.087 0.000 0.298 383 F C 2.356 178.197 175.800 0.068 0.000 1.113 383 F CA 1.936 60.071 58.000 0.226 0.000 1.214 383 F CB -0.956 38.163 39.000 0.198 0.000 0.978 383 F HN 0.019 nan 8.300 nan 0.000 0.474 384 A N -0.396 122.544 122.820 0.201 0.000 1.902 384 A HA -0.180 4.086 4.320 -0.089 0.000 0.217 384 A C 2.054 179.561 177.584 -0.127 0.000 1.181 384 A CA 2.096 54.162 52.037 0.049 0.000 0.623 384 A CB -0.676 18.403 19.000 0.133 0.000 0.818 384 A HN 0.606 nan 8.150 nan 0.000 0.443 385 E N -1.451 118.680 120.200 -0.116 0.000 2.132 385 E HA -0.054 4.243 4.350 -0.089 0.000 0.193 385 E C 2.001 178.485 176.600 -0.193 0.000 0.951 385 E CA 0.423 56.689 56.400 -0.223 0.000 0.843 385 E CB -0.146 29.473 29.700 -0.135 0.000 0.807 385 E HN 0.556 nan 8.360 nan 0.000 0.467 386 N N 1.346 119.928 118.700 -0.196 0.000 2.124 386 N HA -0.166 4.521 4.740 -0.089 0.000 0.188 386 N C 1.838 177.132 175.510 -0.361 0.000 1.045 386 N CA 1.357 54.231 53.050 -0.293 0.000 0.846 386 N CB 0.033 37.946 38.487 -0.957 0.000 1.020 386 N HN -0.074 nan 8.380 nan 0.000 0.432 387 E N 0.871 120.774 120.200 -0.495 0.000 2.097 387 E HA -0.142 4.154 4.350 -0.089 0.000 0.196 387 E C 1.667 178.050 176.600 -0.362 0.000 1.000 387 E CA 1.586 57.781 56.400 -0.341 0.000 0.804 387 E CB -0.193 29.296 29.700 -0.352 0.000 0.740 387 E HN 0.522 nan 8.360 nan 0.000 0.454 388 Q N -0.388 119.139 119.800 -0.454 0.000 2.403 388 Q HA 0.248 4.534 4.340 -0.089 0.000 0.203 388 Q C 0.010 175.877 176.000 -0.222 0.000 0.932 388 Q CA 0.209 55.810 55.803 -0.338 0.000 0.945 388 Q CB 0.449 28.979 28.738 -0.348 0.000 1.045 388 Q HN 0.208 nan 8.270 nan 0.000 0.511 389 A N 1.276 123.976 122.820 -0.200 0.000 2.511 389 A HA 0.420 4.687 4.320 -0.089 0.000 0.242 389 A C -0.067 177.362 177.584 -0.258 0.000 1.069 389 A CA 0.198 52.087 52.037 -0.247 0.000 0.763 389 A CB 0.204 19.106 19.000 -0.164 0.000 1.001 389 A HN 0.284 nan 8.150 nan 0.000 0.498 390 A N 2.821 125.451 122.820 -0.316 0.000 2.323 390 A HA 0.682 4.949 4.320 -0.089 0.000 0.305 390 A C -0.675 176.776 177.584 -0.222 0.000 1.275 390 A CA -0.441 51.479 52.037 -0.195 0.000 0.804 390 A CB 0.102 19.019 19.000 -0.139 0.000 1.152 390 A HN 0.636 nan 8.150 nan 0.000 0.487 391 F N 1.789 121.720 119.950 -0.031 0.000 2.425 391 F HA 0.588 5.057 4.527 -0.098 0.000 0.331 391 F C 0.548 176.243 175.800 -0.175 0.000 1.085 391 F CA -0.203 57.750 58.000 -0.077 0.000 1.028 391 F CB 1.536 40.459 39.000 -0.128 0.000 1.177 391 F HN 0.616 nan 8.300 nan 0.000 0.487 392 H N 3.797 122.676 119.070 -0.318 0.000 2.966 392 H HA 0.273 4.791 4.556 -0.064 0.000 0.347 392 H C -2.297 172.674 175.328 -0.594 0.000 1.048 392 H CA -2.642 52.956 56.048 -0.749 0.000 1.295 392 H CB 2.815 31.873 29.762 -1.174 0.000 1.744 392 H HN 0.205 nan 8.280 nan 0.000 0.513 393 P HA -0.037 nan 4.420 nan 0.000 0.223 393 P C 1.153 178.531 177.300 0.129 0.000 1.151 393 P CA 1.234 64.299 63.100 -0.057 0.000 0.787 393 P CB 0.151 31.818 31.700 -0.054 0.000 0.788 394 G N -1.372 107.362 108.800 -0.109 0.000 2.744 394 G HA2 -0.119 3.788 3.960 -0.089 0.000 0.211 394 G HA3 -0.119 3.788 3.960 -0.089 0.000 0.211 394 G C 0.374 175.228 174.900 -0.077 0.000 1.143 394 G CA -0.060 44.952 45.100 -0.147 0.000 0.788 394 G HN 0.416 nan 8.290 nan 0.000 0.534 395 H N 0.882 119.846 119.070 -0.177 0.000 3.224 395 H HA 0.323 4.831 4.556 -0.080 0.000 0.265 395 H C 0.545 175.917 175.328 0.074 0.000 1.461 395 H CA -0.710 55.285 56.048 -0.088 0.000 1.509 395 H CB -0.035 29.685 29.762 -0.070 0.000 1.686 395 H HN 0.358 nan 8.280 nan 0.000 0.514 396 I N -0.189 120.456 120.570 0.125 0.000 3.100 396 I HA 0.669 4.786 4.170 -0.089 0.000 0.312 396 I C -0.141 175.959 176.117 -0.027 0.000 1.063 396 I CA -1.424 59.909 61.300 0.056 0.000 1.031 396 I CB 1.900 39.825 38.000 -0.126 0.000 1.243 396 I HN 0.110 nan 8.210 nan 0.000 0.483 397 V N -1.705 118.185 119.914 -0.039 0.000 3.001 397 V HA 0.652 4.719 4.120 -0.089 0.000 0.314 397 V C -2.795 173.399 176.094 0.167 0.000 1.099 397 V CA -2.661 59.675 62.300 0.059 0.000 0.989 397 V CB 0.980 32.818 31.823 0.024 0.000 1.040 397 V HN 0.628 nan 8.190 nan 0.000 0.434 398 P HA 0.309 nan 4.420 nan 0.000 0.260 398 P C 0.916 178.208 177.300 -0.013 0.000 1.172 398 P CA 1.997 65.154 63.100 0.095 0.000 0.760 398 P CB 0.407 32.146 31.700 0.065 0.000 0.773 399 G N 2.050 110.795 108.800 -0.092 0.000 2.284 399 G HA2 -0.140 3.767 3.960 -0.089 0.000 0.201 399 G HA3 -0.140 3.767 3.960 -0.089 0.000 0.201 399 G C -0.310 174.501 174.900 -0.149 0.000 0.998 399 G CA -0.488 44.543 45.100 -0.115 0.000 0.651 399 G HN 0.448 nan 8.290 nan 0.000 0.489 400 L N 0.420 121.565 121.223 -0.129 0.000 2.341 400 L HA 0.887 5.173 4.340 -0.089 0.000 0.267 400 L C -0.809 176.000 176.870 -0.102 0.000 1.009 400 L CA -1.026 53.718 54.840 -0.159 0.000 0.819 400 L CB 2.162 44.056 42.059 -0.275 0.000 1.323 400 L HN 0.099 nan 8.230 nan 0.000 0.425 401 D N -0.315 120.018 120.400 -0.112 0.000 2.615 401 D HA 0.456 5.042 4.640 -0.089 0.000 0.267 401 D C -1.116 175.130 176.300 -0.089 0.000 1.236 401 D CA -0.339 53.567 54.000 -0.156 0.000 0.839 401 D CB 2.131 42.903 40.800 -0.047 0.000 1.380 401 D HN 0.104 nan 8.370 nan 0.000 0.433 402 F N -0.169 119.916 119.950 0.226 0.000 2.251 402 F HA 0.508 4.991 4.527 -0.075 0.000 0.302 402 F C 1.550 177.392 175.800 0.070 0.000 1.143 402 F CA -0.197 57.878 58.000 0.125 0.000 1.104 402 F CB 0.841 39.878 39.000 0.061 0.000 1.516 402 F HN 0.223 nan 8.300 nan 0.000 0.511 403 T N -3.365 111.315 114.554 0.209 0.000 2.716 403 T HA 0.301 4.597 4.350 -0.089 0.000 0.286 403 T C -0.100 174.649 174.700 0.082 0.000 1.052 403 T CA -0.979 61.212 62.100 0.152 0.000 1.024 403 T CB 1.116 70.044 68.868 0.101 0.000 1.349 403 T HN 0.324 nan 8.240 nan 0.000 0.525 404 N N 1.195 119.940 118.700 0.076 0.000 2.449 404 N HA 0.055 4.742 4.740 -0.089 0.000 0.191 404 N C 0.043 175.565 175.510 0.020 0.000 1.161 404 N CA 0.104 53.180 53.050 0.043 0.000 0.863 404 N CB -0.425 38.101 38.487 0.066 0.000 0.980 404 N HN 0.682 nan 8.380 nan 0.000 0.458 405 D N 2.249 122.646 120.400 -0.005 0.000 2.570 405 D HA -0.070 4.516 4.640 -0.089 0.000 0.243 405 D C -1.353 174.944 176.300 -0.004 0.000 1.171 405 D CA -1.010 53.008 54.000 0.030 0.000 0.879 405 D CB 1.276 42.043 40.800 -0.056 0.000 1.143 405 D HN 0.141 nan 8.370 nan 0.000 0.511 406 P HA -0.124 nan 4.420 nan 0.000 0.226 406 P C 1.552 178.877 177.300 0.042 0.000 1.153 406 P CA 0.196 63.318 63.100 0.036 0.000 0.777 406 P CB 0.392 32.109 31.700 0.029 0.000 0.794 407 L N -0.166 121.105 121.223 0.079 0.000 2.049 407 L HA -0.011 4.275 4.340 -0.089 0.000 0.203 407 L C 2.390 179.210 176.870 -0.083 0.000 1.074 407 L CA 1.364 56.256 54.840 0.086 0.000 0.749 407 L CB -1.659 40.544 42.059 0.238 0.000 0.907 407 L HN -0.162 nan 8.230 nan 0.000 0.439 408 L N -0.558 120.441 121.223 -0.374 0.000 2.042 408 L HA -0.216 4.071 4.340 -0.089 0.000 0.210 408 L C 2.419 179.067 176.870 -0.369 0.000 1.076 408 L CA 1.760 56.165 54.840 -0.726 0.000 0.749 408 L CB -0.933 40.383 42.059 -1.238 0.000 0.893 408 L HN 0.375 nan 8.230 nan 0.000 0.432 409 Q N -0.053 119.596 119.800 -0.253 0.000 2.096 409 Q HA -0.160 4.127 4.340 -0.089 0.000 0.204 409 Q C 2.105 178.040 176.000 -0.109 0.000 0.982 409 Q CA 1.836 57.530 55.803 -0.183 0.000 0.850 409 Q CB -0.761 27.913 28.738 -0.107 0.000 0.901 409 Q HN 0.714 nan 8.270 nan 0.000 0.422 410 G N 0.348 109.114 108.800 -0.056 0.000 2.430 410 G HA2 -0.198 3.709 3.960 -0.089 0.000 0.216 410 G HA3 -0.198 3.709 3.960 -0.089 0.000 0.216 410 G C 1.512 176.442 174.900 0.049 0.000 1.146 410 G CA 0.122 45.230 45.100 0.015 0.000 0.793 410 G HN 0.242 nan 8.290 nan 0.000 0.537 411 R N -0.108 120.380 120.500 -0.019 0.000 2.127 411 R HA 0.004 4.290 4.340 -0.089 0.000 0.238 411 R C 2.500 178.895 176.300 0.160 0.000 1.134 411 R CA 0.883 57.023 56.100 0.067 0.000 0.975 411 R CB -0.443 29.889 30.300 0.054 0.000 0.865 411 R HN 0.348 nan 8.270 nan 0.000 0.447 412 L N -0.523 120.722 121.223 0.036 0.000 2.079 412 L HA -0.201 4.086 4.340 -0.089 0.000 0.210 412 L C 2.288 179.278 176.870 0.200 0.000 1.081 412 L CA 1.157 56.033 54.840 0.060 0.000 0.752 412 L CB -0.459 41.451 42.059 -0.248 0.000 0.896 412 L HN 0.164 nan 8.230 nan 0.000 0.433 413 F N 0.128 120.094 119.950 0.027 0.000 2.128 413 F HA -0.177 4.296 4.527 -0.090 0.000 0.295 413 F C 2.807 178.616 175.800 0.015 0.000 1.100 413 F CA 1.565 59.583 58.000 0.029 0.000 1.260 413 F CB -0.328 38.669 39.000 -0.004 0.000 1.009 413 F HN -0.053 nan 8.300 nan 0.000 0.476 414 S N -0.649 114.956 115.700 -0.158 0.000 2.368 414 S HA -0.228 4.188 4.470 -0.089 0.000 0.225 414 S C 2.086 176.409 174.600 -0.461 0.000 1.030 414 S CA 1.608 59.600 58.200 -0.346 0.000 0.999 414 S CB -0.823 62.244 63.200 -0.222 0.000 0.844 414 S HN 0.551 nan 8.310 nan 0.000 0.459 415 Y N 1.604 121.551 120.300 -0.588 0.000 2.242 415 Y HA -0.071 4.454 4.550 -0.042 0.000 0.291 415 Y C 3.003 178.519 175.900 -0.640 0.000 1.137 415 Y CA 1.461 59.122 58.100 -0.732 0.000 1.181 415 Y CB -0.970 36.758 38.460 -1.219 0.000 0.989 415 Y HN 0.249 nan 8.280 nan 0.000 0.527 416 T N -0.350 113.983 114.554 -0.368 0.000 2.652 416 T HA -0.248 4.048 4.350 -0.089 0.000 0.267 416 T C 1.454 176.009 174.700 -0.243 0.000 1.039 416 T CA 1.840 63.858 62.100 -0.137 0.000 1.153 416 T CB -0.513 68.369 68.868 0.023 0.000 0.863 416 T HN 0.352 nan 8.240 nan 0.000 0.428 417 D N 0.283 120.444 120.400 -0.398 0.000 2.097 417 D HA -0.108 4.479 4.640 -0.089 0.000 0.195 417 D C 2.334 178.476 176.300 -0.263 0.000 0.989 417 D CA 1.568 55.341 54.000 -0.378 0.000 0.827 417 D CB -0.505 39.895 40.800 -0.667 0.000 0.966 417 D HN 0.261 nan 8.370 nan 0.000 0.456 418 T N -1.032 113.346 114.554 -0.293 0.000 2.867 418 T HA -0.118 4.178 4.350 -0.089 0.000 0.268 418 T C 1.840 176.408 174.700 -0.221 0.000 1.057 418 T CA 1.275 63.239 62.100 -0.228 0.000 1.136 418 T CB -0.169 68.549 68.868 -0.249 0.000 0.874 418 T HN 0.197 nan 8.240 nan 0.000 0.466 419 Q N -0.068 119.545 119.800 -0.312 0.000 2.224 419 Q HA -0.013 4.273 4.340 -0.089 0.000 0.203 419 Q C 2.131 177.962 176.000 -0.281 0.000 0.970 419 Q CA 0.921 56.475 55.803 -0.414 0.000 0.865 419 Q CB -0.060 28.196 28.738 -0.802 0.000 0.922 419 Q HN 0.442 nan 8.270 nan 0.000 0.445 420 I N 0.326 120.801 120.570 -0.159 0.000 2.286 420 I HA -0.228 3.889 4.170 -0.089 0.000 0.248 420 I C 2.322 178.437 176.117 -0.003 0.000 1.115 420 I CA 1.679 62.975 61.300 -0.006 0.000 1.392 420 I CB -1.174 36.835 38.000 0.015 0.000 1.065 420 I HN 0.225 nan 8.210 nan 0.000 0.418 421 S N -0.087 115.589 115.700 -0.039 0.000 2.468 421 S HA -0.023 4.393 4.470 -0.089 0.000 0.226 421 S C 2.121 176.706 174.600 -0.025 0.000 1.051 421 S CA -0.040 58.150 58.200 -0.017 0.000 0.943 421 S CB -0.239 62.952 63.200 -0.016 0.000 0.810 421 S HN 0.301 nan 8.310 nan 0.000 0.509 422 R N 1.097 121.562 120.500 -0.060 0.000 2.091 422 R HA 0.123 4.409 4.340 -0.089 0.000 0.238 422 R C 1.119 177.396 176.300 -0.039 0.000 1.136 422 R CA 1.500 57.567 56.100 -0.055 0.000 0.959 422 R CB -0.287 29.959 30.300 -0.089 0.000 0.856 422 R HN 0.468 nan 8.270 nan 0.000 0.437 423 L N -0.437 120.758 121.223 -0.046 0.000 2.965 423 L HA 0.352 4.639 4.340 -0.089 0.000 0.254 423 L C 0.787 177.683 176.870 0.043 0.000 1.220 423 L CA 0.192 55.029 54.840 -0.005 0.000 1.023 423 L CB 1.105 43.161 42.059 -0.005 0.000 1.355 423 L HN 0.535 nan 8.230 nan 0.000 0.545 424 G N 0.013 108.835 108.800 0.036 0.000 2.168 424 G HA2 -0.151 3.755 3.960 -0.089 0.000 0.263 424 G HA3 -0.151 3.755 3.960 -0.089 0.000 0.263 424 G C 0.448 175.394 174.900 0.078 0.000 0.977 424 G CA 0.158 45.286 45.100 0.046 0.000 0.659 424 G HN 0.779 nan 8.290 nan 0.000 0.533 425 G N -1.863 107.010 108.800 0.123 0.000 2.317 425 G HA2 0.640 4.547 3.960 -0.089 0.000 0.293 425 G HA3 0.640 4.547 3.960 -0.089 0.000 0.293 425 G C -2.418 172.633 174.900 0.251 0.000 1.287 425 G CA 0.369 45.556 45.100 0.145 0.000 0.850 425 G HN 0.384 nan 8.290 nan 0.000 0.515 426 P HA 0.160 nan 4.420 nan 0.000 0.261 426 P C 0.135 177.451 177.300 0.027 0.000 1.268 426 P CA 0.217 63.442 63.100 0.209 0.000 0.833 426 P CB 0.297 32.078 31.700 0.134 0.000 1.231 427 N N 0.462 119.180 118.700 0.030 0.000 2.320 427 N HA 0.079 4.766 4.740 -0.089 0.000 0.237 427 N C 0.984 176.339 175.510 -0.258 0.000 1.129 427 N CA -0.191 52.777 53.050 -0.136 0.000 0.854 427 N CB -0.553 37.887 38.487 -0.079 0.000 1.083 427 N HN 0.257 nan 8.380 nan 0.000 0.504 428 F N 0.644 120.622 119.950 0.047 0.000 2.333 428 F HA -0.073 4.413 4.527 -0.068 0.000 0.300 428 F C 2.248 178.021 175.800 -0.044 0.000 1.083 428 F CA 0.692 58.682 58.000 -0.016 0.000 1.395 428 F CB -0.755 38.246 39.000 0.002 0.000 1.056 428 F HN 0.169 nan 8.300 nan 0.000 0.529 429 H N 0.489 119.179 119.070 -0.633 0.000 2.546 429 H HA 0.064 4.566 4.556 -0.091 0.000 0.277 429 H C 0.860 176.041 175.328 -0.245 0.000 1.004 429 H CA 1.305 57.111 56.048 -0.403 0.000 1.231 429 H CB -0.759 28.635 29.762 -0.613 0.000 1.382 429 H HN 0.519 nan 8.280 nan 0.000 0.580 430 E N 0.924 120.712 120.200 -0.686 0.000 2.478 430 E HA 0.176 4.472 4.350 -0.089 0.000 0.194 430 E C 0.306 176.804 176.600 -0.170 0.000 1.045 430 E CA -0.259 55.903 56.400 -0.397 0.000 0.868 430 E CB 0.489 29.961 29.700 -0.380 0.000 0.885 430 E HN 0.440 nan 8.360 nan 0.000 0.505 431 I N 2.628 123.121 120.570 -0.128 0.000 2.598 431 I HA -0.036 4.081 4.170 -0.089 0.000 0.284 431 I C -1.543 174.524 176.117 -0.083 0.000 1.140 431 I CA -1.591 59.664 61.300 -0.075 0.000 1.420 431 I CB 0.616 38.583 38.000 -0.055 0.000 1.387 431 I HN -0.198 nan 8.210 nan 0.000 0.553 432 P HA -0.273 nan 4.420 nan 0.000 0.219 432 P C 1.715 178.946 177.300 -0.115 0.000 1.161 432 P CA 1.407 64.457 63.100 -0.084 0.000 0.909 432 P CB 0.162 31.819 31.700 -0.072 0.000 0.793 433 I N -0.811 119.663 120.570 -0.161 0.000 2.361 433 I HA -0.192 3.924 4.170 -0.089 0.000 0.251 433 I C 1.369 177.411 176.117 -0.124 0.000 1.133 433 I CA 1.704 62.857 61.300 -0.245 0.000 1.413 433 I CB -0.772 36.974 38.000 -0.424 0.000 1.073 433 I HN -0.089 nan 8.210 nan 0.000 0.424 434 N N 0.566 119.215 118.700 -0.084 0.000 2.422 434 N HA 0.034 4.720 4.740 -0.089 0.000 0.181 434 N C 0.310 175.844 175.510 0.039 0.000 1.080 434 N CA 0.164 53.200 53.050 -0.023 0.000 0.893 434 N CB -0.119 38.374 38.487 0.010 0.000 0.973 434 N HN 0.371 nan 8.380 nan 0.000 0.456 435 R N 1.740 122.250 120.500 0.016 0.000 2.570 435 R HA 0.109 4.396 4.340 -0.089 0.000 0.277 435 R C -2.187 174.179 176.300 0.109 0.000 1.039 435 R CA -1.061 55.051 56.100 0.019 0.000 1.065 435 R CB -0.231 30.062 30.300 -0.011 0.000 0.964 435 R HN 0.053 nan 8.270 nan 0.000 0.428 436 P HA -0.013 nan 4.420 nan 0.000 0.270 436 P C 0.539 177.917 177.300 0.129 0.000 1.223 436 P CA -0.009 63.174 63.100 0.139 0.000 0.785 436 P CB 0.611 32.351 31.700 0.068 0.000 0.923 437 T N -2.868 111.775 114.554 0.149 0.000 3.057 437 T HA 0.050 4.346 4.350 -0.089 0.000 0.254 437 T C 0.965 175.711 174.700 0.077 0.000 1.094 437 T CA 0.093 62.233 62.100 0.066 0.000 1.088 437 T CB -0.999 67.891 68.868 0.036 0.000 0.934 437 T HN 0.593 nan 8.240 nan 0.000 0.497 438 C N 1.340 120.701 119.300 0.102 0.000 2.396 438 C HA 0.742 5.148 4.460 -0.089 0.000 0.359 438 C C -2.411 172.643 174.990 0.107 0.000 1.307 438 C CA -2.528 56.548 59.018 0.097 0.000 2.392 438 C CB -0.138 27.665 27.740 0.104 0.000 2.245 438 C HN 0.162 nan 8.230 nan 0.000 0.615 439 P HA 0.279 nan 4.420 nan 0.000 0.269 439 P C -1.201 176.189 177.300 0.151 0.000 1.209 439 P CA 0.492 63.674 63.100 0.137 0.000 0.776 439 P CB -0.064 31.757 31.700 0.201 0.000 0.876 440 Y N 0.683 120.894 120.300 -0.149 0.000 2.361 440 Y HA 0.620 5.119 4.550 -0.085 0.000 0.328 440 Y C -1.564 174.046 175.900 -0.484 0.000 1.044 440 Y CA -0.902 57.091 58.100 -0.178 0.000 1.085 440 Y CB 1.191 39.570 38.460 -0.135 0.000 1.194 440 Y HN 0.423 nan 8.280 nan 0.000 0.438 441 H N 4.023 123.015 119.070 -0.130 0.000 2.877 441 H HA 0.544 5.047 4.556 -0.088 0.000 0.347 441 H C -1.188 174.046 175.328 -0.157 0.000 1.042 441 H CA -0.815 55.080 56.048 -0.254 0.000 1.276 441 H CB 1.616 31.250 29.762 -0.214 0.000 1.681 441 H HN 0.886 nan 8.280 nan 0.000 0.521 442 N N 0.384 118.995 118.700 -0.148 0.000 3.449 442 N HA 0.229 4.916 4.740 -0.089 0.000 0.312 442 N C -1.123 174.172 175.510 -0.357 0.000 1.582 442 N CA -0.919 52.022 53.050 -0.182 0.000 0.850 442 N CB 0.828 39.350 38.487 0.059 0.000 1.822 442 N HN 0.269 nan 8.380 nan 0.000 0.577 443 F N -0.441 119.553 119.950 0.073 0.000 2.639 443 F HA 0.353 4.826 4.527 -0.091 0.000 0.302 443 F C 0.339 176.183 175.800 0.073 0.000 1.097 443 F CA -0.355 57.682 58.000 0.063 0.000 1.294 443 F CB 0.212 39.243 39.000 0.052 0.000 1.027 443 F HN 0.147 nan 8.300 nan 0.000 0.550 444 Q N 1.771 121.682 119.800 0.185 0.000 2.332 444 Q HA 0.350 4.637 4.340 -0.089 0.000 0.263 444 Q C 0.098 176.175 176.000 0.129 0.000 0.979 444 Q CA 0.101 55.991 55.803 0.145 0.000 0.885 444 Q CB 1.009 29.809 28.738 0.104 0.000 1.218 444 Q HN 0.114 nan 8.270 nan 0.000 0.405 445 R N 1.644 122.214 120.500 0.116 0.000 2.855 445 R HA 0.357 4.643 4.340 -0.089 0.000 0.266 445 R C -0.501 175.848 176.300 0.082 0.000 1.034 445 R CA -0.695 55.464 56.100 0.098 0.000 0.944 445 R CB 1.015 31.374 30.300 0.100 0.000 1.219 445 R HN 0.699 nan 8.270 nan 0.000 0.474 446 D N -0.168 120.272 120.400 0.066 0.000 3.395 446 D HA -0.195 4.391 4.640 -0.089 0.000 0.238 446 D C 0.371 176.707 176.300 0.060 0.000 1.741 446 D CA 2.147 56.179 54.000 0.054 0.000 1.135 446 D CB -0.968 39.864 40.800 0.053 0.000 0.767 446 D HN 0.895 nan 8.370 nan 0.000 0.934 447 G N -1.541 107.294 108.800 0.058 0.000 2.692 447 G HA2 0.215 4.122 3.960 -0.089 0.000 0.686 447 G HA3 0.215 4.122 3.960 -0.089 0.000 0.686 447 G C -0.228 174.712 174.900 0.066 0.000 1.243 447 G CA 0.011 45.151 45.100 0.066 0.000 0.782 447 G HN 0.799 nan 8.290 nan 0.000 0.625 448 M N 1.352 120.997 119.600 0.076 0.000 2.240 448 M HA 0.371 4.797 4.480 -0.089 0.000 0.346 448 M C 1.103 177.487 176.300 0.140 0.000 1.236 448 M CA 1.470 56.825 55.300 0.091 0.000 0.986 448 M CB -0.609 32.046 32.600 0.091 0.000 1.786 448 M HN 1.705 nan 8.290 nan 0.000 0.457 449 H N 0.984 120.061 119.070 0.013 0.000 2.677 449 H HA -0.186 4.317 4.556 -0.089 0.000 0.321 449 H C -0.705 174.616 175.328 -0.011 0.000 1.171 449 H CA 0.913 56.963 56.048 0.003 0.000 1.139 449 H CB -0.687 29.079 29.762 0.006 0.000 1.515 449 H HN 0.639 nan 8.280 nan 0.000 0.423 450 R N 1.555 122.048 120.500 -0.011 0.000 2.370 450 R HA 0.084 4.371 4.340 -0.089 0.000 0.309 450 R C 0.939 177.197 176.300 -0.070 0.000 1.059 450 R CA -0.031 56.059 56.100 -0.017 0.000 0.981 450 R CB 0.270 30.571 30.300 0.001 0.000 0.972 450 R HN 0.384 nan 8.270 nan 0.000 0.437 451 M N 2.733 122.304 119.600 -0.048 0.000 2.299 451 M HA 0.197 4.624 4.480 -0.089 0.000 0.264 451 M C 0.958 177.232 176.300 -0.043 0.000 1.095 451 M CA 1.017 56.284 55.300 -0.056 0.000 1.165 451 M CB -0.856 31.728 32.600 -0.027 0.000 1.349 451 M HN 0.725 nan 8.290 nan 0.000 0.446 452 G N 2.076 110.860 108.800 -0.026 0.000 2.313 452 G HA2 0.339 4.246 3.960 -0.089 0.000 0.250 452 G HA3 0.339 4.246 3.960 -0.089 0.000 0.250 452 G C -0.300 174.583 174.900 -0.027 0.000 1.281 452 G CA -0.331 44.754 45.100 -0.025 0.000 0.917 452 G HN 0.341 nan 8.290 nan 0.000 0.501 453 I N 3.058 123.606 120.570 -0.036 0.000 2.310 453 I HA 0.096 4.212 4.170 -0.089 0.000 0.287 453 I C -0.191 175.907 176.117 -0.031 0.000 1.073 453 I CA -0.534 60.749 61.300 -0.028 0.000 1.216 453 I CB 0.805 38.789 38.000 -0.027 0.000 1.415 453 I HN 0.376 nan 8.210 nan 0.000 0.480 454 D N 4.746 125.133 120.400 -0.021 0.000 2.390 454 D HA 0.054 4.640 4.640 -0.089 0.000 0.249 454 D C 1.183 177.478 176.300 -0.009 0.000 1.144 454 D CA 0.302 54.287 54.000 -0.024 0.000 0.880 454 D CB 1.775 42.568 40.800 -0.012 0.000 1.182 454 D HN 0.556 nan 8.370 nan 0.000 0.451 455 T N -0.978 113.567 114.554 -0.014 0.000 3.040 455 T HA -0.054 4.243 4.350 -0.089 0.000 0.250 455 T C 0.834 175.539 174.700 0.008 0.000 1.058 455 T CA -0.560 61.538 62.100 -0.004 0.000 0.988 455 T CB 0.176 69.037 68.868 -0.013 0.000 0.993 455 T HN 0.124 nan 8.240 nan 0.000 0.519 456 N N 3.440 122.144 118.700 0.007 0.000 2.411 456 N HA 0.081 4.768 4.740 -0.089 0.000 0.261 456 N C -1.651 173.894 175.510 0.058 0.000 1.248 456 N CA -1.485 51.582 53.050 0.028 0.000 0.885 456 N CB 1.441 39.938 38.487 0.016 0.000 1.062 456 N HN 0.066 nan 8.380 nan 0.000 0.471 457 P HA -0.007 nan 4.420 nan 0.000 0.219 457 P C -0.559 176.806 177.300 0.108 0.000 1.146 457 P CA 0.917 64.064 63.100 0.078 0.000 0.808 457 P CB 0.239 31.981 31.700 0.069 0.000 0.779 458 A N 0.541 123.419 122.820 0.096 0.000 2.325 458 A HA 0.456 4.723 4.320 -0.089 0.000 0.333 458 A C 0.442 178.156 177.584 0.215 0.000 1.155 458 A CA -0.671 51.397 52.037 0.052 0.000 0.814 458 A CB 0.250 19.089 19.000 -0.268 0.000 1.206 458 A HN 0.251 nan 8.150 nan 0.000 0.482 459 N N -0.225 118.640 118.700 0.276 0.000 2.291 459 N HA 0.323 5.009 4.740 -0.089 0.000 0.244 459 N C -0.748 174.960 175.510 0.329 0.000 1.216 459 N CA -0.325 52.959 53.050 0.391 0.000 0.879 459 N CB 0.346 39.002 38.487 0.282 0.000 1.167 459 N HN 0.693 nan 8.380 nan 0.000 0.515 460 Y N -0.683 119.554 120.300 -0.106 0.000 2.615 460 Y HA 0.710 5.206 4.550 -0.090 0.000 0.341 460 Y C -1.441 173.905 175.900 -0.924 0.000 1.089 460 Y CA -1.381 56.461 58.100 -0.431 0.000 1.049 460 Y CB 1.105 39.456 38.460 -0.182 0.000 1.296 460 Y HN 0.045 nan 8.280 nan 0.000 0.470 461 E N 0.790 120.510 120.200 -0.799 0.000 2.331 461 E HA 0.629 4.925 4.350 -0.089 0.000 0.275 461 E C -3.186 173.293 176.600 -0.202 0.000 0.895 461 E CA -2.017 54.000 56.400 -0.638 0.000 0.753 461 E CB 1.670 30.922 29.700 -0.747 0.000 1.216 461 E HN 0.569 nan 8.360 nan 0.000 0.434 462 P HA 0.305 nan 4.420 nan 0.000 0.275 462 P C -1.225 176.021 177.300 -0.090 0.000 1.228 462 P CA -0.444 62.579 63.100 -0.128 0.000 0.786 462 P CB 0.552 32.214 31.700 -0.064 0.000 0.927 463 N N -1.491 117.090 118.700 -0.199 0.000 2.357 463 N HA 0.385 5.071 4.740 -0.089 0.000 0.284 463 N C 0.183 175.649 175.510 -0.073 0.000 1.236 463 N CA -0.731 52.215 53.050 -0.173 0.000 0.774 463 N CB 1.355 39.451 38.487 -0.652 0.000 1.534 463 N HN 0.196 nan 8.380 nan 0.000 0.478 464 S N 0.057 115.760 115.700 0.004 0.000 2.520 464 S HA 0.032 4.448 4.470 -0.089 0.000 0.219 464 S C 1.514 176.130 174.600 0.027 0.000 1.028 464 S CA -0.064 58.141 58.200 0.007 0.000 0.921 464 S CB -0.780 62.434 63.200 0.024 0.000 0.844 464 S HN 0.701 nan 8.310 nan 0.000 0.495 465 I N -0.653 119.942 120.570 0.041 0.000 2.830 465 I HA 0.229 4.346 4.170 -0.089 0.000 0.263 465 I C 1.254 177.406 176.117 0.058 0.000 1.230 465 I CA 1.230 62.565 61.300 0.059 0.000 1.480 465 I CB -0.344 37.711 38.000 0.091 0.000 1.095 465 I HN 0.188 nan 8.210 nan 0.000 0.455 466 N N 1.105 119.838 118.700 0.055 0.000 2.299 466 N HA 0.037 4.724 4.740 -0.089 0.000 0.246 466 N C -0.095 175.528 175.510 0.188 0.000 1.254 466 N CA -0.039 53.082 53.050 0.119 0.000 0.879 466 N CB 0.026 38.594 38.487 0.135 0.000 1.214 466 N HN 0.205 nan 8.380 nan 0.000 0.510 467 D N 0.814 121.273 120.400 0.099 0.000 2.751 467 D HA -0.253 4.334 4.640 -0.089 0.000 0.233 467 D C -0.027 176.166 176.300 -0.177 0.000 1.149 467 D CA 1.038 55.060 54.000 0.037 0.000 0.682 467 D CB -1.326 39.578 40.800 0.173 0.000 1.068 467 D HN 0.471 nan 8.370 nan 0.000 0.429 468 N N -1.728 116.887 118.700 -0.142 0.000 2.828 468 N HA -0.248 4.438 4.740 -0.089 0.000 0.248 468 N C -0.702 174.707 175.510 -0.167 0.000 1.044 468 N CA 1.441 54.372 53.050 -0.198 0.000 0.851 468 N CB -1.311 37.005 38.487 -0.284 0.000 1.136 468 N HN 0.539 nan 8.380 nan 0.000 0.572 469 W N 1.203 122.553 121.300 0.082 0.000 2.303 469 W HA 0.438 5.044 4.660 -0.090 0.000 0.334 469 W C -1.571 174.972 176.519 0.039 0.000 1.197 469 W CA -1.586 55.788 57.345 0.049 0.000 1.262 469 W CB 0.309 29.747 29.460 -0.035 0.000 1.153 469 W HN -0.045 nan 8.180 nan 0.000 0.596 470 P HA 0.115 nan 4.420 nan 0.000 0.269 470 P C -0.675 176.775 177.300 0.251 0.000 1.209 470 P CA 0.088 63.338 63.100 0.250 0.000 0.776 470 P CB 0.874 32.578 31.700 0.007 0.000 0.876 471 R N 1.016 121.645 120.500 0.215 0.000 2.668 471 R HA 0.330 4.617 4.340 -0.089 0.000 0.279 471 R C 0.414 176.749 176.300 0.057 0.000 0.976 471 R CA -0.885 55.205 56.100 -0.017 0.000 0.978 471 R CB 1.108 31.168 30.300 -0.401 0.000 1.133 471 R HN 0.487 nan 8.270 nan 0.000 0.484 472 E N 0.622 120.841 120.200 0.033 0.000 2.461 472 E HA -0.006 4.291 4.350 -0.089 0.000 0.263 472 E C -0.553 176.072 176.600 0.042 0.000 1.143 472 E CA 0.825 57.255 56.400 0.050 0.000 0.994 472 E CB 0.553 30.269 29.700 0.027 0.000 0.973 472 E HN 0.371 nan 8.360 nan 0.000 0.457 473 T N 3.002 117.590 114.554 0.057 0.000 2.928 473 T HA 0.320 4.616 4.350 -0.089 0.000 0.296 473 T C -2.526 172.199 174.700 0.041 0.000 1.000 473 T CA -1.469 60.663 62.100 0.053 0.000 0.989 473 T CB 1.547 70.459 68.868 0.073 0.000 1.005 473 T HN 0.223 nan 8.240 nan 0.000 0.442 474 P HA 0.205 nan 4.420 nan 0.000 0.267 474 P C -2.382 174.923 177.300 0.009 0.000 1.200 474 P CA -1.099 62.008 63.100 0.012 0.000 0.772 474 P CB -0.320 31.382 31.700 0.004 0.000 0.855 475 P HA 0.228 nan 4.420 nan 0.000 0.269 475 P C 0.030 177.316 177.300 -0.023 0.000 1.217 475 P CA 0.438 63.520 63.100 -0.030 0.000 0.783 475 P CB 0.612 32.272 31.700 -0.068 0.000 0.898 476 G N 0.676 109.460 108.800 -0.026 0.000 2.488 476 G HA2 0.382 4.288 3.960 -0.089 0.000 0.301 476 G HA3 0.382 4.288 3.960 -0.089 0.000 0.301 476 G C -2.531 172.356 174.900 -0.021 0.000 1.339 476 G CA -0.720 44.369 45.100 -0.019 0.000 0.803 476 G HN 0.164 nan 8.290 nan 0.000 0.482 477 P HA 0.037 nan 4.420 nan 0.000 0.218 477 P C 0.297 177.592 177.300 -0.008 0.000 1.149 477 P CA 1.264 64.355 63.100 -0.016 0.000 0.817 477 P CB 0.341 32.035 31.700 -0.011 0.000 0.785 478 K N -1.449 118.954 120.400 0.004 0.000 2.557 478 K HA 0.346 4.613 4.320 -0.089 0.000 0.257 478 K C -0.326 176.290 176.600 0.027 0.000 0.933 478 K CA -0.697 55.600 56.287 0.016 0.000 0.820 478 K CB 1.111 33.621 32.500 0.017 0.000 1.330 478 K HN -0.388 nan 8.250 nan 0.000 0.432 479 R N 0.128 120.652 120.500 0.040 0.000 3.641 479 R HA -0.141 4.146 4.340 -0.089 0.000 0.286 479 R C -0.264 176.066 176.300 0.050 0.000 1.153 479 R CA 1.107 57.237 56.100 0.050 0.000 0.775 479 R CB -2.350 27.979 30.300 0.048 0.000 1.215 479 R HN 0.837 nan 8.270 nan 0.000 0.474 480 G N -1.210 107.615 108.800 0.041 0.000 2.491 480 G HA2 0.648 4.555 3.960 -0.089 0.000 0.327 480 G HA3 0.648 4.555 3.960 -0.089 0.000 0.327 480 G C 0.294 175.226 174.900 0.054 0.000 1.189 480 G CA 0.019 45.141 45.100 0.036 0.000 0.956 480 G HN 0.272 nan 8.290 nan 0.000 0.491 481 G N -1.145 107.690 108.800 0.057 0.000 2.569 481 G HA2 0.397 4.304 3.960 -0.089 0.000 0.249 481 G HA3 0.397 4.304 3.960 -0.089 0.000 0.249 481 G C -0.602 174.353 174.900 0.091 0.000 1.216 481 G CA -0.503 44.653 45.100 0.093 0.000 0.845 481 G HN 0.476 nan 8.290 nan 0.000 0.568 482 F N 0.372 120.334 119.950 0.021 0.000 2.456 482 F HA 0.394 4.871 4.527 -0.083 0.000 0.358 482 F C 0.536 176.346 175.800 0.017 0.000 1.095 482 F CA -0.181 57.825 58.000 0.011 0.000 1.216 482 F CB 0.890 39.897 39.000 0.011 0.000 1.125 482 F HN 0.440 nan 8.300 nan 0.000 0.549 483 E N 4.163 124.016 120.200 -0.578 0.000 2.246 483 E HA 0.283 4.580 4.350 -0.089 0.000 0.266 483 E C -1.117 175.188 176.600 -0.492 0.000 0.880 483 E CA -0.755 55.463 56.400 -0.303 0.000 0.762 483 E CB 1.551 31.150 29.700 -0.168 0.000 1.180 483 E HN 0.625 nan 8.360 nan 0.000 0.416 484 S N 2.582 118.214 115.700 -0.113 0.000 2.562 484 S HA -0.025 4.391 4.470 -0.089 0.000 0.281 484 S C -0.529 174.063 174.600 -0.013 0.000 1.333 484 S CA -0.270 57.938 58.200 0.012 0.000 1.052 484 S CB 0.089 63.405 63.200 0.192 0.000 0.884 484 S HN 0.467 nan 8.310 nan 0.000 0.506 485 Y N 2.716 122.957 120.300 -0.098 0.000 2.632 485 Y HA -0.016 4.480 4.550 -0.091 0.000 0.329 485 Y C 0.826 176.708 175.900 -0.031 0.000 1.174 485 Y CA 0.048 58.098 58.100 -0.084 0.000 1.469 485 Y CB 0.101 38.513 38.460 -0.080 0.000 1.242 485 Y HN 0.585 nan 8.280 nan 0.000 0.540 486 Q N 5.221 124.681 119.800 -0.567 0.000 3.223 486 Q HA -0.001 4.285 4.340 -0.089 0.000 0.299 486 Q C -0.152 175.567 176.000 -0.469 0.000 1.385 486 Q CA 0.041 55.600 55.803 -0.406 0.000 0.942 486 Q CB -0.281 28.284 28.738 -0.288 0.000 1.748 486 Q HN 0.644 nan 8.270 nan 0.000 0.523 487 E N 1.471 121.491 120.200 -0.299 0.000 2.452 487 E HA -0.036 4.260 4.350 -0.089 0.000 0.261 487 E C -0.204 176.374 176.600 -0.038 0.000 0.987 487 E CA -0.387 55.966 56.400 -0.079 0.000 0.926 487 E CB 0.612 30.401 29.700 0.148 0.000 0.934 487 E HN 0.145 nan 8.360 nan 0.000 0.452 488 R N 3.131 123.628 120.500 -0.005 0.000 2.347 488 R HA 0.185 4.471 4.340 -0.089 0.000 0.304 488 R C -1.460 174.864 176.300 0.040 0.000 1.072 488 R CA -0.176 55.929 56.100 0.008 0.000 0.980 488 R CB 0.772 31.082 30.300 0.017 0.000 0.986 488 R HN 0.279 nan 8.270 nan 0.000 0.448 489 V N 5.126 125.057 119.914 0.027 0.000 2.409 489 V HA 0.414 4.480 4.120 -0.089 0.000 0.291 489 V C -0.431 175.676 176.094 0.023 0.000 1.020 489 V CA -0.539 61.782 62.300 0.034 0.000 0.848 489 V CB 1.483 33.324 31.823 0.030 0.000 0.990 489 V HN 0.813 nan 8.190 nan 0.000 0.430 490 E N 2.769 122.984 120.200 0.025 0.000 2.274 490 E HA 0.732 5.029 4.350 -0.089 0.000 0.269 490 E C -0.104 176.501 176.600 0.008 0.000 0.891 490 E CA -0.425 55.983 56.400 0.013 0.000 0.784 490 E CB 2.402 32.109 29.700 0.013 0.000 1.225 490 E HN 0.995 nan 8.360 nan 0.000 0.412 491 G N 2.305 111.105 108.800 -0.000 0.000 2.336 491 G HA2 0.066 3.972 3.960 -0.089 0.000 0.300 491 G HA3 0.066 3.972 3.960 -0.089 0.000 0.300 491 G C -1.509 173.385 174.900 -0.011 0.000 1.375 491 G CA -1.108 43.987 45.100 -0.007 0.000 0.885 491 G HN 0.408 nan 8.290 nan 0.000 0.599 492 N N -0.014 118.676 118.700 -0.017 0.000 2.495 492 N HA 0.456 5.142 4.740 -0.089 0.000 0.280 492 N C -0.204 175.291 175.510 -0.023 0.000 1.168 492 N CA -0.581 52.458 53.050 -0.019 0.000 0.978 492 N CB 0.984 39.459 38.487 -0.020 0.000 1.191 492 N HN 0.459 nan 8.380 nan 0.000 0.497 493 K N 1.113 121.499 120.400 -0.023 0.000 2.351 493 K HA 0.187 4.453 4.320 -0.089 0.000 0.287 493 K C -0.685 175.893 176.600 -0.036 0.000 1.068 493 K CA -0.197 56.073 56.287 -0.029 0.000 0.998 493 K CB -0.243 32.241 32.500 -0.026 0.000 0.968 493 K HN 0.349 nan 8.250 nan 0.000 0.464 494 V N 0.170 120.057 119.914 -0.045 0.000 3.007 494 V HA 0.488 4.555 4.120 -0.089 0.000 0.311 494 V C -0.575 175.479 176.094 -0.068 0.000 1.120 494 V CA -1.376 60.893 62.300 -0.052 0.000 0.980 494 V CB 2.055 33.848 31.823 -0.050 0.000 1.033 494 V HN 0.616 nan 8.190 nan 0.000 0.429 495 R N 2.058 122.513 120.500 -0.075 0.000 2.522 495 R HA 0.602 4.889 4.340 -0.089 0.000 0.290 495 R C -0.522 175.725 176.300 -0.088 0.000 1.216 495 R CA -0.121 55.920 56.100 -0.098 0.000 1.250 495 R CB 0.748 30.975 30.300 -0.122 0.000 1.143 495 R HN 0.913 nan 8.270 nan 0.000 0.553 496 E N 1.848 121.994 120.200 -0.091 0.000 2.321 496 E HA 0.236 4.532 4.350 -0.089 0.000 0.278 496 E C -1.246 175.287 176.600 -0.112 0.000 0.902 496 E CA -1.028 55.322 56.400 -0.084 0.000 0.758 496 E CB 1.741 31.398 29.700 -0.072 0.000 1.213 496 E HN 0.123 nan 8.360 nan 0.000 0.426 497 R N 1.435 121.876 120.500 -0.098 0.000 2.390 497 R HA 0.212 4.499 4.340 -0.089 0.000 0.291 497 R C -0.541 175.657 176.300 -0.171 0.000 1.070 497 R CA 0.083 56.097 56.100 -0.143 0.000 1.014 497 R CB 1.212 31.482 30.300 -0.050 0.000 1.007 497 R HN 0.340 nan 8.270 nan 0.000 0.466 498 S N 4.844 120.338 115.700 -0.343 0.000 2.531 498 S HA 0.160 4.577 4.470 -0.089 0.000 0.279 498 S C -1.590 172.976 174.600 -0.056 0.000 1.305 498 S CA -1.324 56.734 58.200 -0.237 0.000 1.058 498 S CB 0.741 63.724 63.200 -0.363 0.000 0.899 498 S HN 0.535 nan 8.310 nan 0.000 0.493 499 P HA -0.151 nan 4.420 nan 0.000 0.216 499 P C 1.664 179.005 177.300 0.068 0.000 1.150 499 P CA 1.542 64.656 63.100 0.023 0.000 0.843 499 P CB -0.123 31.580 31.700 0.006 0.000 0.787 500 S N -1.891 113.883 115.700 0.123 0.000 2.440 500 S HA -0.174 4.242 4.470 -0.089 0.000 0.238 500 S C 1.569 176.326 174.600 0.262 0.000 1.010 500 S CA 1.165 59.475 58.200 0.185 0.000 0.972 500 S CB -1.525 61.823 63.200 0.247 0.000 0.774 500 S HN -0.010 nan 8.310 nan 0.000 0.501 501 F N 2.279 122.216 119.950 -0.023 0.000 2.743 501 F HA 0.367 4.838 4.527 -0.092 0.000 0.297 501 F C 2.011 177.739 175.800 -0.120 0.000 1.131 501 F CA -0.705 57.276 58.000 -0.032 0.000 1.426 501 F CB -0.754 38.260 39.000 0.022 0.000 1.116 501 F HN 0.340 nan 8.300 nan 0.000 0.583 502 G N 0.769 109.567 108.800 -0.004 0.000 3.401 502 G HA2 0.096 4.003 3.960 -0.089 0.000 0.251 502 G HA3 0.096 4.003 3.960 -0.089 0.000 0.251 502 G C -0.075 174.370 174.900 -0.759 0.000 0.960 502 G CA 0.132 45.033 45.100 -0.332 0.000 1.900 502 G HN 0.044 nan 8.290 nan 0.000 0.645 503 E N 0.353 120.005 120.200 -0.913 0.000 2.274 503 E HA 0.296 4.593 4.350 -0.089 0.000 0.269 503 E C -0.893 175.250 176.600 -0.763 0.000 0.891 503 E CA -0.753 55.220 56.400 -0.711 0.000 0.784 503 E CB 1.444 30.981 29.700 -0.272 0.000 1.225 503 E HN 0.236 nan 8.360 nan 0.000 0.412 504 Y N 2.680 122.742 120.300 -0.396 0.000 2.453 504 Y HA 0.193 4.689 4.550 -0.089 0.000 0.247 504 Y C 0.692 176.307 175.900 -0.474 0.000 1.124 504 Y CA -0.093 57.694 58.100 -0.520 0.000 1.243 504 Y CB 0.404 38.405 38.460 -0.765 0.000 1.213 504 Y HN 0.425 nan 8.280 nan 0.000 0.523 505 Y N -1.437 118.941 120.300 0.129 0.000 2.444 505 Y HA 0.098 4.596 4.550 -0.088 0.000 0.252 505 Y C 2.381 178.338 175.900 0.094 0.000 1.091 505 Y CA 0.066 58.236 58.100 0.117 0.000 1.276 505 Y CB -0.407 38.128 38.460 0.125 0.000 1.170 505 Y HN 0.047 nan 8.280 nan 0.000 0.517 506 S N -0.466 115.363 115.700 0.216 0.000 2.368 506 S HA -0.222 4.195 4.470 -0.089 0.000 0.225 506 S C 1.491 176.181 174.600 0.149 0.000 1.030 506 S CA 1.763 60.078 58.200 0.192 0.000 0.999 506 S CB -0.669 62.654 63.200 0.204 0.000 0.844 506 S HN 0.428 nan 8.310 nan 0.000 0.459 507 H N 3.181 122.155 119.070 -0.161 0.000 2.321 507 H HA 0.128 4.631 4.556 -0.088 0.000 0.300 507 H C -0.607 174.497 175.328 -0.373 0.000 1.087 507 H CA 1.505 57.293 56.048 -0.434 0.000 1.319 507 H CB -1.868 27.403 29.762 -0.818 0.000 1.379 507 H HN 0.398 nan 8.280 nan 0.000 0.501 508 P HA -0.172 nan 4.420 nan 0.000 0.216 508 P C 1.512 178.985 177.300 0.289 0.000 1.153 508 P CA 1.716 64.957 63.100 0.234 0.000 0.858 508 P CB 0.078 31.944 31.700 0.277 0.000 0.789 509 R N -0.338 120.286 120.500 0.208 0.000 2.066 509 R HA -0.122 4.164 4.340 -0.089 0.000 0.232 509 R C 2.233 178.658 176.300 0.208 0.000 1.131 509 R CA 1.186 57.414 56.100 0.214 0.000 0.955 509 R CB -1.144 29.248 30.300 0.154 0.000 0.851 509 R HN 0.048 nan 8.270 nan 0.000 0.432 510 L N 0.512 121.804 121.223 0.114 0.000 2.042 510 L HA -0.157 4.130 4.340 -0.089 0.000 0.210 510 L C 2.014 178.944 176.870 0.100 0.000 1.076 510 L CA 1.801 56.675 54.840 0.057 0.000 0.749 510 L CB -0.673 41.351 42.059 -0.058 0.000 0.893 510 L HN 0.277 nan 8.230 nan 0.000 0.432 511 F N -0.698 119.284 119.950 0.054 0.000 2.075 511 F HA -0.284 4.191 4.527 -0.086 0.000 0.297 511 F C 2.336 178.133 175.800 -0.005 0.000 1.113 511 F CA 2.230 60.238 58.000 0.014 0.000 1.218 511 F CB -0.676 38.362 39.000 0.063 0.000 0.984 511 F HN 0.391 nan 8.300 nan 0.000 0.472 512 W N 1.618 122.886 121.300 -0.053 0.000 2.317 512 W HA -0.268 4.338 4.660 -0.090 0.000 0.318 512 W C 1.878 178.257 176.519 -0.232 0.000 1.227 512 W CA 2.024 59.275 57.345 -0.156 0.000 1.269 512 W CB -0.901 28.576 29.460 0.029 0.000 1.155 512 W HN 0.113 nan 8.180 nan 0.000 0.484 513 L N 1.289 122.447 121.223 -0.108 0.000 2.265 513 L HA -0.200 4.087 4.340 -0.089 0.000 0.215 513 L C 2.335 179.018 176.870 -0.313 0.000 1.117 513 L CA 1.374 56.080 54.840 -0.223 0.000 0.782 513 L CB -0.802 41.246 42.059 -0.018 0.000 0.914 513 L HN -0.116 nan 8.230 nan 0.000 0.441 514 S N -1.456 114.042 115.700 -0.337 0.000 2.593 514 S HA 0.044 4.460 4.470 -0.089 0.000 0.217 514 S C 0.702 175.016 174.600 -0.475 0.000 0.966 514 S CA 0.075 58.074 58.200 -0.335 0.000 0.914 514 S CB -0.023 63.018 63.200 -0.264 0.000 0.776 514 S HN 0.297 nan 8.310 nan 0.000 0.523 515 Q N 2.203 121.610 119.800 -0.655 0.000 2.260 515 Q HA 0.284 4.571 4.340 -0.089 0.000 0.242 515 Q C 0.678 176.293 176.000 -0.643 0.000 0.932 515 Q CA -0.107 55.271 55.803 -0.709 0.000 0.891 515 Q CB 0.484 28.717 28.738 -0.841 0.000 1.222 515 Q HN 0.429 nan 8.270 nan 0.000 0.453 516 T N -1.811 112.326 114.554 -0.696 0.000 2.748 516 T HA 0.141 4.438 4.350 -0.089 0.000 0.304 516 T C -1.746 172.503 174.700 -0.752 0.000 1.041 516 T CA -1.242 60.423 62.100 -0.725 0.000 1.033 516 T CB 0.276 68.486 68.868 -1.097 0.000 0.995 516 T HN 0.232 nan 8.240 nan 0.000 0.536 517 P HA -0.012 nan 4.420 nan 0.000 0.217 517 P C 1.395 178.491 177.300 -0.341 0.000 1.150 517 P CA 1.000 63.885 63.100 -0.359 0.000 0.832 517 P CB -0.250 31.356 31.700 -0.156 0.000 0.787 518 F N -0.247 119.497 119.950 -0.344 0.000 2.259 518 F HA 0.065 4.539 4.527 -0.089 0.000 0.298 518 F C 1.825 177.251 175.800 -0.624 0.000 1.088 518 F CA 0.824 58.551 58.000 -0.454 0.000 1.358 518 F CB -1.497 37.220 39.000 -0.472 0.000 1.040 518 F HN -0.113 nan 8.300 nan 0.000 0.505 519 E N 0.566 120.154 120.200 -1.020 0.000 2.072 519 E HA -0.199 4.098 4.350 -0.089 0.000 0.191 519 E C 2.227 178.612 176.600 -0.358 0.000 0.985 519 E CA 1.305 57.333 56.400 -0.620 0.000 0.801 519 E CB -0.240 29.038 29.700 -0.703 0.000 0.750 519 E HN 0.622 nan 8.360 nan 0.000 0.452 520 Q N 0.298 119.803 119.800 -0.492 0.000 2.061 520 Q HA -0.221 4.065 4.340 -0.089 0.000 0.204 520 Q C 2.314 178.329 176.000 0.026 0.000 0.984 520 Q CA 1.509 57.044 55.803 -0.446 0.000 0.846 520 Q CB -0.240 27.977 28.738 -0.867 0.000 0.902 520 Q HN 0.148 nan 8.270 nan 0.000 0.421 521 R N 0.143 120.635 120.500 -0.014 0.000 2.081 521 R HA -0.171 4.115 4.340 -0.089 0.000 0.235 521 R C 1.710 178.168 176.300 0.263 0.000 1.131 521 R CA 1.739 57.917 56.100 0.131 0.000 0.960 521 R CB -0.248 30.093 30.300 0.068 0.000 0.856 521 R HN 0.459 nan 8.270 nan 0.000 0.436 522 H N -0.322 118.834 119.070 0.144 0.000 2.423 522 H HA -0.033 4.469 4.556 -0.089 0.000 0.297 522 H C 2.134 177.571 175.328 0.182 0.000 1.075 522 H CA 1.257 57.406 56.048 0.168 0.000 1.342 522 H CB 0.065 29.930 29.762 0.173 0.000 1.395 522 H HN 0.223 nan 8.280 nan 0.000 0.530 523 I N 0.106 120.884 120.570 0.345 0.000 2.202 523 I HA -0.245 3.871 4.170 -0.089 0.000 0.242 523 I C 2.297 178.701 176.117 0.478 0.000 1.091 523 I CA 0.756 62.297 61.300 0.402 0.000 1.368 523 I CB -0.155 38.176 38.000 0.552 0.000 1.058 523 I HN 0.076 nan 8.210 nan 0.000 0.410 524 V N 0.996 121.191 119.914 0.467 0.000 2.287 524 V HA -0.319 3.748 4.120 -0.089 0.000 0.248 524 V C 2.073 178.351 176.094 0.306 0.000 1.053 524 V CA 2.143 64.673 62.300 0.384 0.000 1.027 524 V CB -0.708 31.297 31.823 0.303 0.000 0.646 524 V HN 0.414 nan 8.190 nan 0.000 0.447 525 D N 0.531 121.089 120.400 0.265 0.000 2.149 525 D HA -0.118 4.469 4.640 -0.089 0.000 0.198 525 D C 2.173 178.558 176.300 0.141 0.000 0.990 525 D CA 1.592 55.717 54.000 0.208 0.000 0.839 525 D CB -0.641 40.290 40.800 0.218 0.000 0.948 525 D HN 0.486 nan 8.370 nan 0.000 0.460 526 G N -0.172 108.685 108.800 0.095 0.000 2.404 526 G HA2 -0.235 3.671 3.960 -0.089 0.000 0.215 526 G HA3 -0.235 3.671 3.960 -0.089 0.000 0.215 526 G C 1.451 176.335 174.900 -0.027 0.000 1.174 526 G CA 0.162 45.219 45.100 -0.072 0.000 0.780 526 G HN 0.166 nan 8.290 nan 0.000 0.537 527 F N 1.840 121.836 119.950 0.075 0.000 2.102 527 F HA -0.062 4.412 4.527 -0.089 0.000 0.298 527 F C 3.154 178.881 175.800 -0.122 0.000 1.105 527 F CA 1.595 59.575 58.000 -0.033 0.000 1.239 527 F CB -0.392 38.593 39.000 -0.025 0.000 0.991 527 F HN 0.082 nan 8.300 nan 0.000 0.474 528 S N -0.028 115.770 115.700 0.163 0.000 2.356 528 S HA -0.217 4.199 4.470 -0.089 0.000 0.223 528 S C 1.884 176.504 174.600 0.032 0.000 1.032 528 S CA 1.316 59.558 58.200 0.071 0.000 1.005 528 S CB -0.846 62.420 63.200 0.109 0.000 0.867 528 S HN 0.383 nan 8.310 nan 0.000 0.449 529 F N 2.653 122.570 119.950 -0.054 0.000 2.069 529 F HA -0.163 4.310 4.527 -0.090 0.000 0.298 529 F C 2.422 178.166 175.800 -0.093 0.000 1.113 529 F CA 1.700 59.657 58.000 -0.072 0.000 1.214 529 F CB -0.327 38.567 39.000 -0.176 0.000 0.978 529 F HN 0.134 nan 8.300 nan 0.000 0.474 530 E N 0.579 120.757 120.200 -0.037 0.000 2.038 530 E HA -0.235 4.061 4.350 -0.089 0.000 0.195 530 E C 2.341 178.759 176.600 -0.304 0.000 1.000 530 E CA 1.823 58.175 56.400 -0.081 0.000 0.803 530 E CB -0.633 29.165 29.700 0.163 0.000 0.750 530 E HN 0.485 nan 8.360 nan 0.000 0.448 531 L N 0.956 121.910 121.223 -0.448 0.000 2.275 531 L HA -0.118 4.169 4.340 -0.089 0.000 0.215 531 L C 2.481 179.196 176.870 -0.259 0.000 1.119 531 L CA 0.455 55.023 54.840 -0.452 0.000 0.790 531 L CB -0.221 41.584 42.059 -0.423 0.000 0.919 531 L HN 0.007 nan 8.230 nan 0.000 0.443 532 S N -0.075 115.482 115.700 -0.239 0.000 2.402 532 S HA -0.134 4.282 4.470 -0.089 0.000 0.229 532 S C 1.747 176.240 174.600 -0.178 0.000 1.021 532 S CA 1.178 59.263 58.200 -0.192 0.000 0.974 532 S CB -0.049 63.022 63.200 -0.214 0.000 0.800 532 S HN 0.415 nan 8.310 nan 0.000 0.484 533 K N 0.935 121.205 120.400 -0.216 0.000 2.444 533 K HA 0.151 4.417 4.320 -0.089 0.000 0.193 533 K C -0.282 176.316 176.600 -0.003 0.000 1.024 533 K CA 0.059 56.281 56.287 -0.108 0.000 1.077 533 K CB 0.306 32.730 32.500 -0.127 0.000 0.833 533 K HN 0.105 nan 8.250 nan 0.000 0.517 534 V N 1.963 121.855 119.914 -0.036 0.000 2.427 534 V HA -0.031 4.035 4.120 -0.089 0.000 0.268 534 V C 1.456 177.540 176.094 -0.017 0.000 1.046 534 V CA -0.033 62.273 62.300 0.009 0.000 0.970 534 V CB 1.331 33.130 31.823 -0.040 0.000 1.001 534 V HN -0.016 nan 8.190 nan 0.000 0.476 535 V N 5.347 125.273 119.914 0.020 0.000 2.379 535 V HA -0.066 4.001 4.120 -0.089 0.000 0.245 535 V C 1.351 177.435 176.094 -0.017 0.000 1.044 535 V CA 1.316 63.623 62.300 0.012 0.000 1.036 535 V CB -0.450 31.398 31.823 0.041 0.000 0.664 535 V HN 0.766 nan 8.190 nan 0.000 0.453 536 R N 1.031 121.497 120.500 -0.057 0.000 2.288 536 R HA 0.148 4.435 4.340 -0.089 0.000 0.330 536 R C -1.709 174.488 176.300 -0.172 0.000 1.069 536 R CA -1.286 54.756 56.100 -0.097 0.000 0.941 536 R CB 0.407 30.582 30.300 -0.209 0.000 0.998 536 R HN 0.275 nan 8.270 nan 0.000 0.452 537 P HA -0.195 nan 4.420 nan 0.000 0.220 537 P C 0.740 178.022 177.300 -0.031 0.000 1.148 537 P CA 1.084 64.163 63.100 -0.034 0.000 0.803 537 P CB -0.012 31.699 31.700 0.019 0.000 0.782 538 Y N -1.208 119.093 120.300 0.001 0.000 2.333 538 Y HA -0.096 4.400 4.550 -0.090 0.000 0.290 538 Y C 1.913 177.818 175.900 0.009 0.000 1.144 538 Y CA 0.792 58.893 58.100 0.002 0.000 1.228 538 Y CB -1.712 36.750 38.460 0.003 0.000 0.985 538 Y HN -0.116 nan 8.280 nan 0.000 0.542 539 I N 0.944 121.141 120.570 -0.621 0.000 2.202 539 I HA -0.242 3.874 4.170 -0.089 0.000 0.242 539 I C 2.530 178.565 176.117 -0.137 0.000 1.091 539 I CA 1.416 62.502 61.300 -0.357 0.000 1.368 539 I CB -0.379 37.396 38.000 -0.374 0.000 1.058 539 I HN 0.168 nan 8.210 nan 0.000 0.410 540 R N 0.899 121.309 120.500 -0.150 0.000 2.083 540 R HA -0.208 4.079 4.340 -0.089 0.000 0.237 540 R C 2.137 178.388 176.300 -0.081 0.000 1.137 540 R CA 1.653 57.674 56.100 -0.133 0.000 0.951 540 R CB -0.541 29.678 30.300 -0.135 0.000 0.851 540 R HN 0.436 nan 8.270 nan 0.000 0.434 541 E N 0.578 120.752 120.200 -0.043 0.000 2.058 541 E HA -0.196 4.101 4.350 -0.089 0.000 0.194 541 E C 2.157 178.762 176.600 0.008 0.000 0.997 541 E CA 1.332 57.727 56.400 -0.008 0.000 0.801 541 E CB -0.068 29.651 29.700 0.032 0.000 0.746 541 E HN 0.292 nan 8.360 nan 0.000 0.450 542 R N 0.229 120.749 120.500 0.033 0.000 2.096 542 R HA -0.099 4.187 4.340 -0.089 0.000 0.235 542 R C 2.387 178.710 176.300 0.039 0.000 1.127 542 R CA 1.041 57.172 56.100 0.052 0.000 0.968 542 R CB -0.237 30.114 30.300 0.084 0.000 0.861 542 R HN 0.066 nan 8.270 nan 0.000 0.440 543 V N 0.286 120.217 119.914 0.028 0.000 2.358 543 V HA -0.186 3.881 4.120 -0.089 0.000 0.246 543 V C 2.271 178.343 176.094 -0.036 0.000 1.047 543 V CA 1.442 63.768 62.300 0.044 0.000 1.035 543 V CB -0.265 31.593 31.823 0.059 0.000 0.658 543 V HN 0.113 nan 8.190 nan 0.000 0.452 544 V N 0.624 120.492 119.914 -0.076 0.000 2.469 544 V HA -0.311 3.756 4.120 -0.089 0.000 0.251 544 V C 2.306 178.357 176.094 -0.072 0.000 1.064 544 V CA 2.422 64.655 62.300 -0.111 0.000 1.066 544 V CB -0.694 31.070 31.823 -0.099 0.000 0.667 544 V HN 0.645 nan 8.190 nan 0.000 0.461 545 D N -0.753 119.638 120.400 -0.014 0.000 2.117 545 D HA -0.179 4.408 4.640 -0.089 0.000 0.197 545 D C 2.289 178.660 176.300 0.118 0.000 0.987 545 D CA 1.128 55.153 54.000 0.043 0.000 0.829 545 D CB -0.023 40.820 40.800 0.071 0.000 0.961 545 D HN 0.318 nan 8.370 nan 0.000 0.460 546 Q N -0.070 119.771 119.800 0.068 0.000 2.084 546 Q HA -0.102 4.185 4.340 -0.089 0.000 0.202 546 Q C 2.612 178.632 176.000 0.032 0.000 0.978 546 Q CA 0.730 56.580 55.803 0.077 0.000 0.844 546 Q CB -0.441 28.362 28.738 0.108 0.000 0.898 546 Q HN 0.445 nan 8.270 nan 0.000 0.426 547 L N 0.227 121.405 121.223 -0.075 0.000 2.079 547 L HA -0.182 4.104 4.340 -0.089 0.000 0.210 547 L C 2.437 179.191 176.870 -0.193 0.000 1.081 547 L CA 1.112 55.832 54.840 -0.200 0.000 0.752 547 L CB -0.795 41.042 42.059 -0.370 0.000 0.896 547 L HN 0.126 nan 8.230 nan 0.000 0.433 548 A N -0.552 122.177 122.820 -0.153 0.000 2.076 548 A HA -0.238 4.029 4.320 -0.089 0.000 0.220 548 A C 1.762 179.176 177.584 -0.284 0.000 1.160 548 A CA 1.625 53.538 52.037 -0.206 0.000 0.653 548 A CB -0.801 18.078 19.000 -0.202 0.000 0.801 548 A HN 0.491 nan 8.150 nan 0.000 0.455 549 H N -1.486 117.368 119.070 -0.360 0.000 2.547 549 H HA 0.293 4.796 4.556 -0.088 0.000 0.266 549 H C 1.523 176.570 175.328 -0.468 0.000 0.988 549 H CA 0.815 56.524 56.048 -0.564 0.000 1.147 549 H CB 0.064 29.084 29.762 -1.236 0.000 1.365 549 H HN 0.512 nan 8.280 nan 0.000 0.589 550 I N -1.177 119.288 120.570 -0.175 0.000 2.900 550 I HA 0.085 4.201 4.170 -0.089 0.000 0.251 550 I C -0.150 175.891 176.117 -0.127 0.000 1.102 550 I CA 0.407 61.667 61.300 -0.066 0.000 1.457 550 I CB 0.729 38.706 38.000 -0.039 0.000 1.285 550 I HN 0.090 nan 8.210 nan 0.000 0.459 551 D N -0.345 119.908 120.400 -0.244 0.000 2.871 551 D HA 0.135 4.722 4.640 -0.089 0.000 0.209 551 D C 0.349 176.482 176.300 -0.278 0.000 1.292 551 D CA -0.393 53.445 54.000 -0.270 0.000 0.869 551 D CB 1.338 41.834 40.800 -0.506 0.000 1.663 551 D HN -0.048 nan 8.370 nan 0.000 0.557 552 L N 3.205 124.325 121.223 -0.171 0.000 1.989 552 L HA -0.093 4.194 4.340 -0.089 0.000 0.211 552 L C 1.297 178.087 176.870 -0.132 0.000 1.071 552 L CA 2.296 57.051 54.840 -0.141 0.000 0.749 552 L CB -1.130 40.875 42.059 -0.090 0.000 0.890 552 L HN 0.622 nan 8.230 nan 0.000 0.431 553 T N 1.252 115.758 114.554 -0.079 0.000 2.684 553 T HA -0.226 4.071 4.350 -0.089 0.000 0.267 553 T C 1.910 176.548 174.700 -0.103 0.000 1.036 553 T CA 1.801 63.893 62.100 -0.014 0.000 1.148 553 T CB -0.474 68.479 68.868 0.141 0.000 0.863 553 T HN 0.369 nan 8.240 nan 0.000 0.436 554 L N 1.703 122.696 121.223 -0.383 0.000 1.989 554 L HA 0.003 4.290 4.340 -0.089 0.000 0.211 554 L C 2.608 179.246 176.870 -0.387 0.000 1.071 554 L CA 2.165 56.608 54.840 -0.662 0.000 0.749 554 L CB -1.266 39.966 42.059 -1.378 0.000 0.890 554 L HN 0.217 nan 8.230 nan 0.000 0.431 555 A N -0.971 121.637 122.820 -0.353 0.000 1.865 555 A HA -0.302 3.964 4.320 -0.089 0.000 0.217 555 A C 2.262 179.746 177.584 -0.168 0.000 1.191 555 A CA 2.097 53.978 52.037 -0.259 0.000 0.623 555 A CB -0.851 18.015 19.000 -0.224 0.000 0.826 555 A HN 0.686 nan 8.150 nan 0.000 0.444 556 Q N -0.974 118.751 119.800 -0.125 0.000 2.077 556 Q HA -0.187 4.099 4.340 -0.089 0.000 0.206 556 Q C 2.451 178.424 176.000 -0.046 0.000 0.989 556 Q CA 1.641 57.401 55.803 -0.072 0.000 0.853 556 Q CB -0.388 28.322 28.738 -0.047 0.000 0.907 556 Q HN 0.705 nan 8.270 nan 0.000 0.418 557 A N -0.097 122.703 122.820 -0.032 0.000 1.902 557 A HA -0.134 4.133 4.320 -0.089 0.000 0.217 557 A C 2.258 179.845 177.584 0.005 0.000 1.181 557 A CA 1.362 53.407 52.037 0.015 0.000 0.623 557 A CB -0.576 18.466 19.000 0.070 0.000 0.818 557 A HN 0.236 nan 8.150 nan 0.000 0.443 558 V N -0.215 119.674 119.914 -0.042 0.000 2.358 558 V HA -0.197 3.870 4.120 -0.089 0.000 0.246 558 V C 3.052 179.115 176.094 -0.052 0.000 1.047 558 V CA 1.745 64.019 62.300 -0.043 0.000 1.035 558 V CB -1.195 30.554 31.823 -0.124 0.000 0.658 558 V HN 0.606 nan 8.190 nan 0.000 0.452 559 A N -0.069 122.708 122.820 -0.071 0.000 1.908 559 A HA -0.298 3.968 4.320 -0.089 0.000 0.218 559 A C 2.362 179.927 177.584 -0.031 0.000 1.181 559 A CA 2.331 54.334 52.037 -0.058 0.000 0.627 559 A CB -0.526 18.436 19.000 -0.063 0.000 0.818 559 A HN 0.515 nan 8.150 nan 0.000 0.445 560 K N -0.471 119.919 120.400 -0.017 0.000 2.097 560 K HA -0.165 4.102 4.320 -0.089 0.000 0.206 560 K C 1.232 177.837 176.600 0.009 0.000 1.049 560 K CA 1.492 57.779 56.287 -0.000 0.000 0.933 560 K CB -0.232 32.274 32.500 0.009 0.000 0.717 560 K HN 0.423 nan 8.250 nan 0.000 0.442 561 N N 0.640 119.349 118.700 0.015 0.000 2.512 561 N HA -0.093 4.593 4.740 -0.089 0.000 0.183 561 N C 0.957 176.471 175.510 0.006 0.000 1.073 561 N CA 0.630 53.695 53.050 0.025 0.000 0.911 561 N CB 0.150 38.665 38.487 0.046 0.000 0.964 561 N HN 0.152 nan 8.380 nan 0.000 0.447 562 L N -0.510 120.705 121.223 -0.013 0.000 2.640 562 L HA 0.310 4.596 4.340 -0.089 0.000 0.230 562 L C 1.066 177.924 176.870 -0.020 0.000 1.123 562 L CA 0.069 54.892 54.840 -0.028 0.000 0.900 562 L CB -0.708 41.321 42.059 -0.051 0.000 1.146 562 L HN 0.167 nan 8.230 nan 0.000 0.484 563 G N 0.929 109.722 108.800 -0.011 0.000 2.272 563 G HA2 -0.282 3.624 3.960 -0.089 0.000 0.280 563 G HA3 -0.282 3.624 3.960 -0.089 0.000 0.280 563 G C 0.217 175.110 174.900 -0.012 0.000 1.067 563 G CA 0.339 45.435 45.100 -0.007 0.000 0.902 563 G HN 0.299 nan 8.290 nan 0.000 0.500 564 I N -0.139 120.420 120.570 -0.018 0.000 2.474 564 I HA 0.372 4.488 4.170 -0.089 0.000 0.294 564 I C 0.084 176.187 176.117 -0.023 0.000 1.005 564 I CA -0.796 60.491 61.300 -0.022 0.000 1.113 564 I CB 1.705 39.686 38.000 -0.033 0.000 1.289 564 I HN 0.000 nan 8.210 nan 0.000 0.436 565 E N 5.779 125.967 120.200 -0.019 0.000 2.134 565 E HA 0.317 4.614 4.350 -0.089 0.000 0.278 565 E C -0.915 175.669 176.600 -0.027 0.000 0.959 565 E CA -0.894 55.494 56.400 -0.021 0.000 0.783 565 E CB 1.825 31.516 29.700 -0.014 0.000 1.095 565 E HN 0.260 nan 8.360 nan 0.000 0.399 566 L N 2.711 123.912 121.223 -0.036 0.000 2.439 566 L HA 0.100 4.387 4.340 -0.089 0.000 0.269 566 L C 1.336 178.184 176.870 -0.037 0.000 1.179 566 L CA 0.294 55.108 54.840 -0.044 0.000 0.828 566 L CB 0.094 42.117 42.059 -0.060 0.000 1.106 566 L HN 0.582 nan 8.230 nan 0.000 0.467 567 T N -1.891 112.641 114.554 -0.037 0.000 2.816 567 T HA 0.148 4.444 4.350 -0.089 0.000 0.282 567 T C 1.178 175.854 174.700 -0.040 0.000 0.993 567 T CA -0.486 61.595 62.100 -0.032 0.000 0.994 567 T CB 0.905 69.757 68.868 -0.027 0.000 1.025 567 T HN 0.639 nan 8.240 nan 0.000 0.529 568 D N 1.039 121.420 120.400 -0.033 0.000 2.177 568 D HA -0.242 4.345 4.640 -0.089 0.000 0.189 568 D C 1.243 177.517 176.300 -0.044 0.000 1.002 568 D CA 1.623 55.603 54.000 -0.033 0.000 0.845 568 D CB -0.568 40.217 40.800 -0.025 0.000 0.960 568 D HN 0.564 nan 8.370 nan 0.000 0.447 569 D N 0.930 121.304 120.400 -0.043 0.000 2.104 569 D HA -0.145 4.441 4.640 -0.089 0.000 0.194 569 D C 2.363 178.611 176.300 -0.086 0.000 0.994 569 D CA 1.001 54.968 54.000 -0.054 0.000 0.830 569 D CB -0.362 40.414 40.800 -0.040 0.000 0.959 569 D HN 0.436 nan 8.370 nan 0.000 0.452 570 Q N -0.497 119.251 119.800 -0.087 0.000 2.167 570 Q HA -0.094 4.192 4.340 -0.089 0.000 0.202 570 Q C 1.942 177.863 176.000 -0.133 0.000 0.970 570 Q CA 0.424 56.150 55.803 -0.127 0.000 0.855 570 Q CB 0.075 28.753 28.738 -0.100 0.000 0.911 570 Q HN 0.170 nan 8.270 nan 0.000 0.438 571 L N 0.902 122.068 121.223 -0.094 0.000 2.217 571 L HA -0.107 4.180 4.340 -0.089 0.000 0.211 571 L C 1.214 178.033 176.870 -0.086 0.000 1.107 571 L CA 1.479 56.269 54.840 -0.083 0.000 0.783 571 L CB -0.418 41.606 42.059 -0.058 0.000 0.919 571 L HN 0.218 nan 8.230 nan 0.000 0.442 572 N N -0.666 117.982 118.700 -0.087 0.000 2.336 572 N HA 0.127 4.814 4.740 -0.089 0.000 0.189 572 N C 0.422 175.869 175.510 -0.104 0.000 1.113 572 N CA 0.031 53.033 53.050 -0.079 0.000 0.858 572 N CB 0.259 38.712 38.487 -0.057 0.000 0.970 572 N HN 0.246 nan 8.380 nan 0.000 0.471 573 I N 1.944 122.417 120.570 -0.161 0.000 2.664 573 I HA -0.071 4.045 4.170 -0.089 0.000 0.284 573 I C 0.282 176.305 176.117 -0.157 0.000 1.154 573 I CA 0.355 61.525 61.300 -0.216 0.000 1.402 573 I CB -0.108 37.633 38.000 -0.433 0.000 1.395 573 I HN -0.143 nan 8.210 nan 0.000 0.545 574 T N 8.322 122.816 114.554 -0.101 0.000 2.867 574 T HA 0.109 4.406 4.350 -0.089 0.000 0.297 574 T C -1.923 172.745 174.700 -0.053 0.000 0.989 574 T CA -0.802 61.264 62.100 -0.057 0.000 1.159 574 T CB -0.097 68.757 68.868 -0.024 0.000 0.928 574 T HN 0.388 nan 8.240 nan 0.000 0.538 575 P HA 0.153 nan 4.420 nan 0.000 0.267 575 P C -2.284 175.035 177.300 0.032 0.000 1.201 575 P CA -1.153 61.939 63.100 -0.014 0.000 0.775 575 P CB -0.435 31.267 31.700 0.002 0.000 0.854 576 P HA 0.214 nan 4.420 nan 0.000 0.274 576 P C -2.393 174.964 177.300 0.096 0.000 1.237 576 P CA -1.460 61.713 63.100 0.121 0.000 0.793 576 P CB -0.904 30.915 31.700 0.197 0.000 0.977 577 P HA 0.115 nan 4.420 nan 0.000 0.272 577 P C -0.291 177.062 177.300 0.089 0.000 1.230 577 P CA 0.022 63.171 63.100 0.082 0.000 0.788 577 P CB 0.476 32.223 31.700 0.079 0.000 0.949 578 D N -0.028 120.416 120.400 0.074 0.000 2.364 578 D HA 0.049 4.635 4.640 -0.089 0.000 0.236 578 D C -0.043 176.310 176.300 0.088 0.000 1.221 578 D CA 0.137 54.179 54.000 0.069 0.000 0.891 578 D CB 0.342 41.176 40.800 0.056 0.000 1.190 578 D HN 0.005 nan 8.370 nan 0.000 0.449 579 V N 2.327 122.287 119.914 0.076 0.000 2.368 579 V HA 0.053 4.119 4.120 -0.089 0.000 0.266 579 V C 0.285 176.474 176.094 0.158 0.000 1.045 579 V CA -0.473 61.906 62.300 0.131 0.000 0.899 579 V CB -0.135 31.692 31.823 0.005 0.000 1.006 579 V HN 0.587 nan 8.190 nan 0.000 0.470 580 N N 4.564 123.366 118.700 0.170 0.000 2.707 580 N HA -0.241 4.446 4.740 -0.089 0.000 0.253 580 N C 1.194 176.760 175.510 0.093 0.000 0.998 580 N CA 1.048 54.176 53.050 0.130 0.000 0.751 580 N CB -0.874 37.724 38.487 0.185 0.000 0.920 580 N HN 1.292 nan 8.380 nan 0.000 0.539 581 G N -2.052 106.792 108.800 0.073 0.000 2.234 581 G HA2 -0.337 3.570 3.960 -0.089 0.000 0.260 581 G HA3 -0.337 3.570 3.960 -0.089 0.000 0.260 581 G C 0.166 175.096 174.900 0.050 0.000 0.987 581 G CA 0.326 45.459 45.100 0.054 0.000 0.625 581 G HN 0.403 nan 8.290 nan 0.000 0.532 582 L N 1.190 122.448 121.223 0.059 0.000 2.380 582 L HA 0.388 4.675 4.340 -0.089 0.000 0.273 582 L C 1.562 178.450 176.870 0.031 0.000 1.138 582 L CA 0.103 54.968 54.840 0.043 0.000 0.832 582 L CB 0.926 43.011 42.059 0.044 0.000 1.124 582 L HN 0.257 nan 8.230 nan 0.000 0.454 583 K N 3.881 124.293 120.400 0.020 0.000 2.438 583 K HA 0.233 4.500 4.320 -0.089 0.000 0.205 583 K C -0.471 176.127 176.600 -0.004 0.000 1.033 583 K CA -0.207 56.089 56.287 0.015 0.000 1.089 583 K CB 0.611 33.119 32.500 0.015 0.000 0.857 583 K HN 0.737 nan 8.250 nan 0.000 0.522 584 K N -0.273 120.120 120.400 -0.011 0.000 2.927 584 K HA 0.133 4.399 4.320 -0.089 0.000 0.305 584 K C -2.465 174.122 176.600 -0.022 0.000 1.129 584 K CA -0.612 55.651 56.287 -0.039 0.000 0.898 584 K CB 0.417 32.875 32.500 -0.070 0.000 1.401 584 K HN -0.114 nan 8.250 nan 0.000 0.372 585 D N 2.891 123.274 120.400 -0.029 0.000 2.478 585 D HA 0.317 4.903 4.640 -0.089 0.000 0.240 585 D C -2.128 174.164 176.300 -0.014 0.000 1.364 585 D CA -1.971 52.032 54.000 0.005 0.000 0.987 585 D CB 2.186 43.012 40.800 0.044 0.000 1.328 585 D HN 0.280 nan 8.370 nan 0.000 0.584 586 P HA -0.119 nan 4.420 nan 0.000 0.221 586 P C 1.316 178.617 177.300 0.002 0.000 1.145 586 P CA 0.887 63.966 63.100 -0.034 0.000 0.795 586 P CB 0.154 31.843 31.700 -0.018 0.000 0.775 587 S N -1.080 114.653 115.700 0.055 0.000 2.507 587 S HA -0.059 4.357 4.470 -0.089 0.000 0.235 587 S C 1.650 176.349 174.600 0.165 0.000 0.988 587 S CA 0.725 58.994 58.200 0.116 0.000 0.944 587 S CB -1.424 61.863 63.200 0.146 0.000 0.762 587 S HN 0.139 nan 8.310 nan 0.000 0.526 588 L N 1.121 122.409 121.223 0.108 0.000 2.509 588 L HA 0.221 4.508 4.340 -0.089 0.000 0.222 588 L C 1.505 178.313 176.870 -0.103 0.000 1.123 588 L CA 0.102 55.012 54.840 0.118 0.000 0.856 588 L CB -0.324 41.800 42.059 0.110 0.000 0.985 588 L HN 0.313 nan 8.230 nan 0.000 0.456 589 S N -0.418 115.188 115.700 -0.157 0.000 2.610 589 S HA 0.302 4.718 4.470 -0.089 0.000 0.273 589 S C 1.059 175.553 174.600 -0.176 0.000 1.274 589 S CA -0.602 57.446 58.200 -0.253 0.000 1.023 589 S CB 1.344 64.388 63.200 -0.259 0.000 0.962 589 S HN 0.156 nan 8.310 nan 0.000 0.523 590 L N 2.749 123.786 121.223 -0.310 0.000 2.095 590 L HA 0.048 4.334 4.340 -0.089 0.000 0.204 590 L C 1.003 177.577 176.870 -0.493 0.000 1.080 590 L CA 1.087 55.636 54.840 -0.485 0.000 0.759 590 L CB -0.264 41.211 42.059 -0.974 0.000 0.914 590 L HN 0.774 nan 8.230 nan 0.000 0.439 591 Y N -2.101 118.203 120.300 0.007 0.000 2.430 591 Y HA 0.333 4.830 4.550 -0.088 0.000 0.254 591 Y C 2.224 178.145 175.900 0.035 0.000 1.088 591 Y CA -0.087 58.063 58.100 0.084 0.000 1.267 591 Y CB -0.609 37.957 38.460 0.177 0.000 1.204 591 Y HN -0.024 nan 8.280 nan 0.000 0.515 592 A N 1.120 123.959 122.820 0.030 0.000 1.884 592 A HA -0.169 4.098 4.320 -0.089 0.000 0.219 592 A C 1.013 178.634 177.584 0.061 0.000 1.197 592 A CA 1.317 53.355 52.037 0.001 0.000 0.637 592 A CB -0.947 18.004 19.000 -0.082 0.000 0.827 592 A HN 0.322 nan 8.150 nan 0.000 0.450 593 I N 0.813 121.421 120.570 0.065 0.000 2.312 593 I HA 0.233 4.350 4.170 -0.089 0.000 0.290 593 I C -2.413 173.772 176.117 0.114 0.000 1.008 593 I CA -2.179 59.168 61.300 0.078 0.000 1.226 593 I CB 1.334 39.370 38.000 0.059 0.000 1.371 593 I HN 0.028 nan 8.210 nan 0.000 0.468 594 P HA -0.075 nan 4.420 nan 0.000 0.260 594 P C -0.022 177.353 177.300 0.125 0.000 1.172 594 P CA 0.579 63.768 63.100 0.147 0.000 0.760 594 P CB 0.418 32.188 31.700 0.117 0.000 0.773 595 D N 1.460 121.945 120.400 0.141 0.000 2.530 595 D HA 0.017 4.603 4.640 -0.089 0.000 0.290 595 D C 0.448 176.808 176.300 0.101 0.000 1.398 595 D CA -0.174 53.891 54.000 0.107 0.000 0.848 595 D CB -0.290 40.569 40.800 0.098 0.000 1.279 595 D HN 0.376 nan 8.370 nan 0.000 0.483 596 G N 0.965 109.840 108.800 0.125 0.000 2.432 596 G HA2 0.309 4.215 3.960 -0.089 0.000 0.239 596 G HA3 0.309 4.215 3.960 -0.089 0.000 0.239 596 G C -0.525 174.418 174.900 0.072 0.000 1.291 596 G CA 0.220 45.385 45.100 0.109 0.000 0.863 596 G HN 0.254 nan 8.290 nan 0.000 0.560 597 D N 0.146 120.578 120.400 0.054 0.000 2.649 597 D HA 0.276 4.863 4.640 -0.089 0.000 0.249 597 D C 0.958 177.275 176.300 0.027 0.000 1.112 597 D CA -0.509 53.510 54.000 0.031 0.000 0.850 597 D CB 1.972 42.783 40.800 0.017 0.000 1.399 597 D HN 0.363 nan 8.370 nan 0.000 0.503 598 V N 1.409 121.331 119.914 0.015 0.000 3.235 598 V HA 0.228 4.295 4.120 -0.089 0.000 0.259 598 V C 1.039 177.121 176.094 -0.020 0.000 1.133 598 V CA 0.169 62.473 62.300 0.007 0.000 1.128 598 V CB -0.896 30.925 31.823 -0.004 0.000 0.757 598 V HN 0.479 nan 8.190 nan 0.000 0.469 599 K N 1.332 121.712 120.400 -0.034 0.000 2.436 599 K HA 0.382 4.649 4.320 -0.089 0.000 0.282 599 K C 1.236 177.806 176.600 -0.050 0.000 1.044 599 K CA 1.053 57.300 56.287 -0.068 0.000 1.028 599 K CB 0.070 32.533 32.500 -0.062 0.000 0.919 599 K HN 0.701 nan 8.250 nan 0.000 0.474 600 G N 3.341 112.091 108.800 -0.083 0.000 2.213 600 G HA2 -0.199 3.707 3.960 -0.089 0.000 0.236 600 G HA3 -0.199 3.707 3.960 -0.089 0.000 0.236 600 G C 0.054 175.018 174.900 0.106 0.000 0.991 600 G CA -0.373 44.756 45.100 0.047 0.000 0.629 600 G HN 0.543 nan 8.290 nan 0.000 0.517 601 R N -0.087 120.440 120.500 0.045 0.000 2.738 601 R HA 0.660 4.946 4.340 -0.089 0.000 0.275 601 R C 0.231 176.599 176.300 0.113 0.000 1.121 601 R CA -0.136 56.016 56.100 0.087 0.000 1.207 601 R CB 0.476 30.817 30.300 0.068 0.000 1.141 601 R HN 0.401 nan 8.270 nan 0.000 0.571 602 V N 0.494 120.485 119.914 0.130 0.000 2.760 602 V HA 0.391 4.458 4.120 -0.089 0.000 0.309 602 V C -0.358 175.801 176.094 0.109 0.000 1.077 602 V CA -0.906 61.483 62.300 0.147 0.000 0.910 602 V CB 2.412 34.339 31.823 0.174 0.000 1.008 602 V HN 0.358 nan 8.190 nan 0.000 0.424 603 V N 2.707 122.679 119.914 0.097 0.000 2.555 603 V HA 0.816 4.883 4.120 -0.089 0.000 0.302 603 V C 0.348 176.494 176.094 0.088 0.000 1.038 603 V CA -0.554 61.791 62.300 0.076 0.000 0.887 603 V CB 1.966 33.819 31.823 0.050 0.000 0.991 603 V HN 1.055 nan 8.190 nan 0.000 0.434 604 A N 5.697 128.572 122.820 0.091 0.000 2.301 604 A HA 0.832 5.099 4.320 -0.089 0.000 0.298 604 A C -0.606 176.983 177.584 0.008 0.000 1.185 604 A CA -0.331 51.748 52.037 0.071 0.000 0.830 604 A CB 0.218 19.297 19.000 0.131 0.000 1.112 604 A HN 0.762 nan 8.150 nan 0.000 0.508 605 I N 3.281 123.852 120.570 0.002 0.000 2.382 605 I HA 0.216 4.332 4.170 -0.089 0.000 0.286 605 I C -0.605 175.511 176.117 -0.002 0.000 1.002 605 I CA -0.167 61.136 61.300 0.004 0.000 1.135 605 I CB 1.498 39.517 38.000 0.032 0.000 1.288 605 I HN 0.495 nan 8.210 nan 0.000 0.448 606 L N 7.172 128.370 121.223 -0.041 0.000 2.295 606 L HA 0.393 4.679 4.340 -0.089 0.000 0.288 606 L C 0.042 176.991 176.870 0.131 0.000 1.079 606 L CA -0.261 54.592 54.840 0.021 0.000 0.830 606 L CB 0.094 42.008 42.059 -0.242 0.000 1.200 606 L HN 0.444 nan 8.230 nan 0.000 0.438 607 L N 3.587 124.951 121.223 0.234 0.000 2.468 607 L HA 0.342 4.628 4.340 -0.089 0.000 0.254 607 L C 0.086 177.134 176.870 0.296 0.000 1.171 607 L CA -0.379 54.561 54.840 0.167 0.000 0.809 607 L CB 1.228 43.307 42.059 0.033 0.000 1.155 607 L HN 0.722 nan 8.230 nan 0.000 0.473 608 N N -2.166 116.601 118.700 0.111 0.000 2.697 608 N HA 0.197 4.883 4.740 -0.089 0.000 0.272 608 N C -0.327 175.138 175.510 -0.076 0.000 1.381 608 N CA -0.718 52.432 53.050 0.167 0.000 0.797 608 N CB 0.766 39.356 38.487 0.171 0.000 1.523 608 N HN 0.506 nan 8.380 nan 0.000 0.518 609 D N -1.636 118.763 120.400 -0.002 0.000 2.347 609 D HA -0.026 4.560 4.640 -0.089 0.000 0.215 609 D C -0.300 175.958 176.300 -0.069 0.000 0.976 609 D CA 0.941 54.882 54.000 -0.098 0.000 0.884 609 D CB 0.010 40.819 40.800 0.015 0.000 0.915 609 D HN 0.660 nan 8.370 nan 0.000 0.526 610 E N 0.272 120.453 120.200 -0.032 0.000 3.651 610 E HA 0.269 4.565 4.350 -0.089 0.000 0.220 610 E C -1.197 175.387 176.600 -0.027 0.000 1.222 610 E CA -0.451 55.931 56.400 -0.031 0.000 1.114 610 E CB 0.984 30.675 29.700 -0.015 0.000 1.278 610 E HN -0.102 nan 8.360 nan 0.000 0.412 611 V N 1.898 121.788 119.914 -0.041 0.000 2.763 611 V HA 0.054 4.120 4.120 -0.089 0.000 0.306 611 V C 0.780 176.856 176.094 -0.030 0.000 1.059 611 V CA 0.067 62.349 62.300 -0.029 0.000 1.138 611 V CB 0.698 32.498 31.823 -0.038 0.000 0.940 611 V HN 0.446 nan 8.190 nan 0.000 0.489 612 R N 3.333 123.816 120.500 -0.028 0.000 2.459 612 R HA 0.089 4.375 4.340 -0.089 0.000 0.301 612 R C 1.677 177.955 176.300 -0.037 0.000 1.286 612 R CA 0.675 56.754 56.100 -0.035 0.000 1.046 612 R CB -0.197 30.077 30.300 -0.043 0.000 1.071 612 R HN 0.986 nan 8.270 nan 0.000 0.512 613 S N 1.504 117.185 115.700 -0.033 0.000 2.413 613 S HA -0.331 4.086 4.470 -0.089 0.000 0.237 613 S C 1.937 176.519 174.600 -0.031 0.000 1.044 613 S CA 1.316 59.498 58.200 -0.030 0.000 1.024 613 S CB -0.206 62.978 63.200 -0.026 0.000 0.829 613 S HN 0.566 nan 8.310 nan 0.000 0.475 614 A N 1.755 124.553 122.820 -0.036 0.000 1.969 614 A HA -0.036 4.230 4.320 -0.089 0.000 0.218 614 A C 1.936 179.490 177.584 -0.050 0.000 1.169 614 A CA 1.447 53.461 52.037 -0.038 0.000 0.635 614 A CB -0.636 18.339 19.000 -0.041 0.000 0.810 614 A HN 0.487 nan 8.150 nan 0.000 0.445 615 D N -0.088 120.273 120.400 -0.065 0.000 2.091 615 D HA -0.075 4.512 4.640 -0.089 0.000 0.199 615 D C 1.962 178.232 176.300 -0.050 0.000 0.980 615 D CA 0.680 54.625 54.000 -0.092 0.000 0.831 615 D CB -0.351 40.377 40.800 -0.119 0.000 0.987 615 D HN 0.341 nan 8.370 nan 0.000 0.460 616 L N 0.439 121.643 121.223 -0.032 0.000 2.013 616 L HA -0.197 4.090 4.340 -0.089 0.000 0.212 616 L C 2.484 179.351 176.870 -0.004 0.000 1.073 616 L CA 0.941 55.774 54.840 -0.011 0.000 0.753 616 L CB -0.312 41.740 42.059 -0.012 0.000 0.890 616 L HN 0.122 nan 8.230 nan 0.000 0.432 617 L N -0.790 120.427 121.223 -0.011 0.000 1.989 617 L HA -0.257 4.029 4.340 -0.089 0.000 0.211 617 L C 2.831 179.701 176.870 0.001 0.000 1.071 617 L CA 1.490 56.326 54.840 -0.005 0.000 0.749 617 L CB -0.715 41.338 42.059 -0.010 0.000 0.890 617 L HN 0.295 nan 8.230 nan 0.000 0.431 618 A N 0.112 122.929 122.820 -0.005 0.000 1.908 618 A HA -0.201 4.066 4.320 -0.089 0.000 0.218 618 A C 2.170 179.773 177.584 0.031 0.000 1.181 618 A CA 1.626 53.667 52.037 0.006 0.000 0.627 618 A CB -0.678 18.316 19.000 -0.010 0.000 0.818 618 A HN 0.372 nan 8.150 nan 0.000 0.445 619 I N -0.437 120.154 120.570 0.035 0.000 2.113 619 I HA -0.279 3.837 4.170 -0.089 0.000 0.238 619 I C 2.442 178.588 176.117 0.049 0.000 1.070 619 I CA 1.393 62.735 61.300 0.069 0.000 1.332 619 I CB -0.444 37.600 38.000 0.074 0.000 1.044 619 I HN 0.286 nan 8.210 nan 0.000 0.402 620 L N 0.543 121.785 121.223 0.032 0.000 2.083 620 L HA -0.240 4.047 4.340 -0.089 0.000 0.209 620 L C 2.637 179.519 176.870 0.020 0.000 1.083 620 L CA 1.439 56.295 54.840 0.026 0.000 0.752 620 L CB -0.569 41.503 42.059 0.022 0.000 0.899 620 L HN 0.252 nan 8.230 nan 0.000 0.433 621 K N 0.370 120.780 120.400 0.017 0.000 2.057 621 K HA -0.181 4.086 4.320 -0.089 0.000 0.207 621 K C 2.130 178.737 176.600 0.012 0.000 1.049 621 K CA 1.381 57.675 56.287 0.012 0.000 0.931 621 K CB -0.084 32.422 32.500 0.011 0.000 0.714 621 K HN 0.257 nan 8.250 nan 0.000 0.440 622 A N 1.096 123.928 122.820 0.021 0.000 1.930 622 A HA -0.072 4.195 4.320 -0.089 0.000 0.217 622 A C 2.092 179.680 177.584 0.005 0.000 1.175 622 A CA 1.127 53.175 52.037 0.019 0.000 0.627 622 A CB -0.537 18.486 19.000 0.039 0.000 0.815 622 A HN 0.304 nan 8.150 nan 0.000 0.443 623 L N -0.704 120.523 121.223 0.007 0.000 2.017 623 L HA -0.205 4.082 4.340 -0.089 0.000 0.208 623 L C 2.620 179.467 176.870 -0.038 0.000 1.073 623 L CA 2.012 56.844 54.840 -0.013 0.000 0.745 623 L CB -0.493 41.566 42.059 0.000 0.000 0.894 623 L HN 0.449 nan 8.230 nan 0.000 0.432 624 K N 0.585 120.971 120.400 -0.022 0.000 2.103 624 K HA -0.185 4.082 4.320 -0.089 0.000 0.207 624 K C 2.032 178.611 176.600 -0.034 0.000 1.048 624 K CA 1.415 57.685 56.287 -0.029 0.000 0.930 624 K CB -0.134 32.362 32.500 -0.006 0.000 0.716 624 K HN 0.268 nan 8.250 nan 0.000 0.444 625 A N 0.585 123.391 122.820 -0.022 0.000 2.070 625 A HA -0.091 4.176 4.320 -0.089 0.000 0.220 625 A C 1.493 179.059 177.584 -0.030 0.000 1.159 625 A CA 1.291 53.316 52.037 -0.020 0.000 0.656 625 A CB -0.131 18.864 19.000 -0.009 0.000 0.800 625 A HN 0.163 nan 8.150 nan 0.000 0.453 626 K N -1.641 118.734 120.400 -0.042 0.000 2.358 626 K HA 0.214 4.480 4.320 -0.089 0.000 0.200 626 K C 0.970 177.520 176.600 -0.083 0.000 1.030 626 K CA 0.660 56.917 56.287 -0.049 0.000 1.097 626 K CB 0.273 32.749 32.500 -0.039 0.000 0.862 626 K HN 0.709 nan 8.250 nan 0.000 0.534 627 G N 1.595 110.327 108.800 -0.115 0.000 2.147 627 G HA2 -0.227 3.680 3.960 -0.089 0.000 0.244 627 G HA3 -0.227 3.680 3.960 -0.089 0.000 0.244 627 G C 0.047 174.735 174.900 -0.352 0.000 1.005 627 G CA 0.179 45.161 45.100 -0.197 0.000 0.713 627 G HN 0.101 nan 8.290 nan 0.000 0.515 628 V N 1.165 120.922 119.914 -0.262 0.000 2.432 628 V HA 0.455 4.522 4.120 -0.089 0.000 0.275 628 V C 0.810 176.748 176.094 -0.261 0.000 1.043 628 V CA -0.651 61.507 62.300 -0.237 0.000 0.925 628 V CB 0.878 32.647 31.823 -0.091 0.000 0.985 628 V HN 0.444 nan 8.190 nan 0.000 0.466 629 H N 2.051 121.134 119.070 0.021 0.000 2.505 629 H HA 0.722 5.225 4.556 -0.089 0.000 0.355 629 H C 0.273 175.621 175.328 0.033 0.000 1.179 629 H CA 0.156 56.219 56.048 0.025 0.000 1.343 629 H CB 1.144 30.922 29.762 0.027 0.000 1.501 629 H HN 0.834 nan 8.280 nan 0.000 0.569 630 A N 1.520 124.441 122.820 0.170 0.000 2.374 630 A HA 0.533 4.799 4.320 -0.089 0.000 0.317 630 A C -0.897 176.747 177.584 0.099 0.000 1.094 630 A CA -0.943 51.158 52.037 0.108 0.000 0.765 630 A CB 1.011 20.055 19.000 0.074 0.000 1.268 630 A HN 0.789 nan 8.150 nan 0.000 0.438 631 K N 2.610 123.062 120.400 0.086 0.000 2.463 631 K HA 0.638 4.905 4.320 -0.089 0.000 0.255 631 K C -1.777 174.858 176.600 0.058 0.000 0.942 631 K CA -0.488 55.842 56.287 0.073 0.000 0.814 631 K CB 1.210 33.761 32.500 0.086 0.000 1.122 631 K HN 0.563 nan 8.250 nan 0.000 0.425 632 L N 4.644 125.893 121.223 0.044 0.000 2.260 632 L HA 0.321 4.608 4.340 -0.089 0.000 0.289 632 L C -0.749 176.142 176.870 0.035 0.000 1.057 632 L CA -1.069 53.791 54.840 0.034 0.000 0.811 632 L CB 0.508 42.579 42.059 0.019 0.000 1.184 632 L HN 0.507 nan 8.230 nan 0.000 0.429 633 L N 4.415 125.669 121.223 0.051 0.000 2.334 633 L HA 0.583 4.870 4.340 -0.089 0.000 0.273 633 L C -0.476 176.411 176.870 0.028 0.000 1.013 633 L CA -0.312 54.547 54.840 0.031 0.000 0.816 633 L CB 1.487 43.598 42.059 0.088 0.000 1.278 633 L HN 0.333 nan 8.230 nan 0.000 0.431 634 Y N -0.394 119.617 120.300 -0.482 0.000 2.829 634 Y HA 0.336 4.832 4.550 -0.089 0.000 0.322 634 Y C 0.835 176.050 175.900 -1.142 0.000 1.357 634 Y CA -0.631 57.069 58.100 -0.666 0.000 1.081 634 Y CB 1.651 39.960 38.460 -0.251 0.000 1.339 634 Y HN 0.550 nan 8.280 nan 0.000 0.469 635 S N 0.833 115.638 115.700 -1.492 0.000 2.575 635 S HA 0.295 4.712 4.470 -0.089 0.000 0.215 635 S C -0.099 174.177 174.600 -0.540 0.000 0.966 635 S CA 0.201 57.824 58.200 -0.961 0.000 0.911 635 S CB -0.381 62.413 63.200 -0.677 0.000 0.780 635 S HN 0.636 nan 8.310 nan 0.000 0.514 636 R N -1.289 118.959 120.500 -0.419 0.000 2.733 636 R HA 0.601 4.888 4.340 -0.089 0.000 0.272 636 R C -0.757 175.518 176.300 -0.042 0.000 1.029 636 R CA -1.078 54.927 56.100 -0.158 0.000 0.888 636 R CB 0.466 30.713 30.300 -0.087 0.000 1.251 636 R HN -0.042 nan 8.270 nan 0.000 0.464 637 M N 0.268 119.856 119.600 -0.020 0.000 1.960 637 M HA 0.484 4.911 4.480 -0.089 0.000 0.229 637 M C 1.107 177.426 176.300 0.031 0.000 1.234 637 M CA 1.093 56.396 55.300 0.004 0.000 0.952 637 M CB 0.373 32.969 32.600 -0.007 0.000 1.294 637 M HN 1.057 nan 8.290 nan 0.000 0.514 638 G N 0.689 109.500 108.800 0.019 0.000 2.662 638 G HA2 -0.140 3.767 3.960 -0.089 0.000 0.236 638 G HA3 -0.140 3.767 3.960 -0.089 0.000 0.236 638 G C -0.818 174.085 174.900 0.004 0.000 1.212 638 G CA 0.095 45.204 45.100 0.014 0.000 0.968 638 G HN 0.845 nan 8.290 nan 0.000 0.576 639 E N -1.164 119.032 120.200 -0.006 0.000 2.433 639 E HA 0.685 4.981 4.350 -0.089 0.000 0.278 639 E C -0.651 175.893 176.600 -0.094 0.000 0.976 639 E CA -0.717 55.656 56.400 -0.045 0.000 0.793 639 E CB 2.550 32.229 29.700 -0.036 0.000 1.311 639 E HN 1.663 nan 8.360 nan 0.000 0.460 640 V N -2.380 117.441 119.914 -0.155 0.000 3.040 640 V HA 0.743 4.810 4.120 -0.089 0.000 0.312 640 V C -0.678 175.333 176.094 -0.138 0.000 1.115 640 V CA -0.682 61.486 62.300 -0.220 0.000 0.998 640 V CB 1.841 33.399 31.823 -0.442 0.000 1.042 640 V HN 0.748 nan 8.190 nan 0.000 0.433 641 T N 2.737 117.222 114.554 -0.115 0.000 2.779 641 T HA 0.782 5.078 4.350 -0.089 0.000 0.280 641 T C 0.396 175.053 174.700 -0.071 0.000 0.987 641 T CA 0.354 62.409 62.100 -0.075 0.000 0.966 641 T CB 1.300 70.137 68.868 -0.052 0.000 0.933 641 T HN 1.381 nan 8.240 nan 0.000 0.442 642 A N 2.425 125.209 122.820 -0.059 0.000 2.325 642 A HA 0.280 4.546 4.320 -0.089 0.000 0.260 642 A C 1.578 179.139 177.584 -0.038 0.000 1.133 642 A CA -0.184 51.823 52.037 -0.049 0.000 0.801 642 A CB 0.020 18.995 19.000 -0.041 0.000 1.092 642 A HN 0.895 nan 8.150 nan 0.000 0.504 643 D N -0.690 119.691 120.400 -0.032 0.000 2.351 643 D HA -0.140 4.446 4.640 -0.089 0.000 0.216 643 D C 0.312 176.598 176.300 -0.022 0.000 0.968 643 D CA 1.344 55.329 54.000 -0.026 0.000 0.899 643 D CB -0.148 40.638 40.800 -0.024 0.000 0.907 643 D HN 0.565 nan 8.370 nan 0.000 0.514 644 D N -1.901 118.485 120.400 -0.023 0.000 2.501 644 D HA 0.221 4.808 4.640 -0.089 0.000 0.224 644 D C 1.494 177.782 176.300 -0.019 0.000 1.202 644 D CA 0.081 54.069 54.000 -0.019 0.000 0.829 644 D CB -0.101 40.688 40.800 -0.019 0.000 1.023 644 D HN 0.245 nan 8.370 nan 0.000 0.499 645 G N 0.397 109.184 108.800 -0.022 0.000 2.179 645 G HA2 -0.276 3.630 3.960 -0.089 0.000 0.260 645 G HA3 -0.276 3.630 3.960 -0.089 0.000 0.260 645 G C 0.373 175.259 174.900 -0.024 0.000 0.977 645 G CA 0.353 45.440 45.100 -0.022 0.000 0.641 645 G HN 0.414 nan 8.290 nan 0.000 0.533 646 T N 1.307 115.846 114.554 -0.025 0.000 2.817 646 T HA 0.417 4.713 4.350 -0.089 0.000 0.295 646 T C 0.667 175.347 174.700 -0.033 0.000 0.958 646 T CA 0.002 62.087 62.100 -0.025 0.000 1.157 646 T CB 2.011 70.865 68.868 -0.023 0.000 0.898 646 T HN 0.410 nan 8.240 nan 0.000 0.536 647 V N 6.179 126.075 119.914 -0.030 0.000 2.432 647 V HA 0.259 4.325 4.120 -0.089 0.000 0.271 647 V C 0.255 176.327 176.094 -0.037 0.000 1.046 647 V CA -0.492 61.787 62.300 -0.036 0.000 0.945 647 V CB 0.415 32.222 31.823 -0.028 0.000 0.992 647 V HN 0.688 nan 8.190 nan 0.000 0.471 648 L N 8.393 129.584 121.223 -0.052 0.000 2.280 648 L HA 0.462 4.749 4.340 -0.089 0.000 0.287 648 L C -2.319 174.522 176.870 -0.049 0.000 1.023 648 L CA -1.833 52.978 54.840 -0.049 0.000 0.819 648 L CB 1.658 43.678 42.059 -0.065 0.000 1.212 648 L HN 0.418 nan 8.230 nan 0.000 0.420 649 P HA 0.230 nan 4.420 nan 0.000 0.276 649 P C -0.525 176.765 177.300 -0.015 0.000 1.230 649 P CA -0.035 63.054 63.100 -0.019 0.000 0.776 649 P CB 0.929 32.625 31.700 -0.007 0.000 0.888 650 I N 2.132 122.697 120.570 -0.010 0.000 2.331 650 I HA 0.247 4.364 4.170 -0.089 0.000 0.292 650 I C 1.481 177.602 176.117 0.007 0.000 0.998 650 I CA -0.410 60.891 61.300 0.002 0.000 1.267 650 I CB 1.486 39.497 38.000 0.019 0.000 1.386 650 I HN 0.360 nan 8.210 nan 0.000 0.476 651 A N 5.250 128.077 122.820 0.012 0.000 1.935 651 A HA 0.567 4.833 4.320 -0.089 0.000 0.214 651 A C 0.994 178.586 177.584 0.014 0.000 1.178 651 A CA 1.227 53.274 52.037 0.017 0.000 0.640 651 A CB 0.046 19.063 19.000 0.029 0.000 0.825 651 A HN 0.801 nan 8.150 nan 0.000 0.447 652 A N -2.083 120.742 122.820 0.007 0.000 2.564 652 A HA 0.589 4.856 4.320 -0.089 0.000 0.291 652 A C -0.009 177.542 177.584 -0.056 0.000 1.102 652 A CA 0.121 52.157 52.037 -0.001 0.000 0.660 652 A CB -0.215 18.807 19.000 0.038 0.000 1.283 652 A HN 0.740 nan 8.150 nan 0.000 0.430 653 T N -1.859 112.652 114.554 -0.073 0.000 2.824 653 T HA 0.574 4.871 4.350 -0.089 0.000 0.277 653 T C 0.945 175.615 174.700 -0.049 0.000 0.975 653 T CA 0.013 61.993 62.100 -0.201 0.000 0.966 653 T CB 0.135 68.904 68.868 -0.164 0.000 1.054 653 T HN 0.450 nan 8.240 nan 0.000 0.533 654 F N 0.357 120.332 119.950 0.041 0.000 2.126 654 F HA -0.012 4.462 4.527 -0.089 0.000 0.299 654 F C 2.993 178.927 175.800 0.224 0.000 1.096 654 F CA 0.873 58.954 58.000 0.136 0.000 1.255 654 F CB -0.554 38.502 39.000 0.094 0.000 0.997 654 F HN 0.693 nan 8.300 nan 0.000 0.479 655 A N 0.275 123.269 122.820 0.289 0.000 1.970 655 A HA 0.046 4.313 4.320 -0.089 0.000 0.216 655 A C 2.406 180.065 177.584 0.125 0.000 1.170 655 A CA 1.334 53.479 52.037 0.181 0.000 0.645 655 A CB -1.397 17.667 19.000 0.107 0.000 0.816 655 A HN 0.385 nan 8.150 nan 0.000 0.447 656 G N -0.798 108.061 108.800 0.098 0.000 2.443 656 G HA2 0.248 4.155 3.960 -0.089 0.000 0.219 656 G HA3 0.248 4.155 3.960 -0.089 0.000 0.219 656 G C 0.644 175.598 174.900 0.091 0.000 1.131 656 G CA 1.048 46.189 45.100 0.067 0.000 0.775 656 G HN 1.147 nan 8.290 nan 0.000 0.547 657 A N 0.572 123.484 122.820 0.154 0.000 3.082 657 A HA 0.686 4.953 4.320 -0.089 0.000 0.328 657 A C -2.725 175.012 177.584 0.255 0.000 1.089 657 A CA -1.107 51.032 52.037 0.170 0.000 0.802 657 A CB 1.264 20.361 19.000 0.161 0.000 1.138 657 A HN 0.082 nan 8.150 nan 0.000 0.474 658 P HA 0.029 nan 4.420 nan 0.000 0.270 658 P C 1.412 178.554 177.300 -0.264 0.000 1.227 658 P CA 0.509 63.562 63.100 -0.078 0.000 0.788 658 P CB 0.740 32.385 31.700 -0.092 0.000 0.926 659 S N 1.306 116.463 115.700 -0.906 0.000 2.420 659 S HA -0.201 4.216 4.470 -0.089 0.000 0.237 659 S C 1.792 176.254 174.600 -0.230 0.000 1.023 659 S CA 1.336 59.166 58.200 -0.615 0.000 0.991 659 S CB -1.481 61.268 63.200 -0.752 0.000 0.792 659 S HN 0.362 nan 8.310 nan 0.000 0.488 660 L N 1.875 122.967 121.223 -0.219 0.000 2.137 660 L HA -0.130 4.157 4.340 -0.089 0.000 0.213 660 L C 3.035 179.759 176.870 -0.243 0.000 1.085 660 L CA 1.747 56.463 54.840 -0.206 0.000 0.760 660 L CB -1.614 40.303 42.059 -0.236 0.000 0.893 660 L HN 0.657 nan 8.230 nan 0.000 0.434 661 T N -3.067 111.415 114.554 -0.120 0.000 3.113 661 T HA 0.169 4.466 4.350 -0.089 0.000 0.256 661 T C 0.460 175.257 174.700 0.163 0.000 1.131 661 T CA 0.254 62.377 62.100 0.039 0.000 1.074 661 T CB -0.449 68.514 68.868 0.158 0.000 0.944 661 T HN 0.184 nan 8.240 nan 0.000 0.516 662 V N -2.492 117.480 119.914 0.095 0.000 3.103 662 V HA 0.573 4.639 4.120 -0.089 0.000 0.318 662 V C -0.013 176.125 176.094 0.073 0.000 1.114 662 V CA -0.947 61.428 62.300 0.125 0.000 1.020 662 V CB 2.129 34.041 31.823 0.147 0.000 1.085 662 V HN -0.009 nan 8.190 nan 0.000 0.446 663 D N 0.956 121.402 120.400 0.076 0.000 2.355 663 D HA 0.477 5.064 4.640 -0.089 0.000 0.206 663 D C 0.554 176.839 176.300 -0.025 0.000 1.010 663 D CA 1.474 55.494 54.000 0.033 0.000 0.875 663 D CB 1.490 42.332 40.800 0.071 0.000 0.966 663 D HN 0.967 nan 8.370 nan 0.000 0.512 664 A N 0.068 122.890 122.820 0.002 0.000 2.601 664 A HA 0.554 4.821 4.320 -0.089 0.000 0.291 664 A C -1.578 176.019 177.584 0.022 0.000 1.075 664 A CA -0.521 51.502 52.037 -0.023 0.000 0.671 664 A CB 1.634 20.608 19.000 -0.043 0.000 1.277 664 A HN -0.109 nan 8.150 nan 0.000 0.417 665 V N 1.154 121.073 119.914 0.007 0.000 2.638 665 V HA 0.541 4.607 4.120 -0.089 0.000 0.306 665 V C -0.772 175.320 176.094 -0.004 0.000 1.052 665 V CA -0.173 62.143 62.300 0.027 0.000 0.885 665 V CB 1.550 33.410 31.823 0.061 0.000 0.999 665 V HN 0.701 nan 8.190 nan 0.000 0.424 666 I N 4.384 124.959 120.570 0.008 0.000 2.433 666 I HA 0.555 4.672 4.170 -0.089 0.000 0.292 666 I C -0.825 175.309 176.117 0.029 0.000 1.001 666 I CA -0.912 60.419 61.300 0.053 0.000 1.119 666 I CB 2.294 40.357 38.000 0.105 0.000 1.289 666 I HN 0.281 nan 8.210 nan 0.000 0.438 667 V N 7.686 127.636 119.914 0.060 0.000 2.325 667 V HA 0.322 4.389 4.120 -0.089 0.000 0.280 667 V C -2.160 173.983 176.094 0.082 0.000 1.016 667 V CA -1.620 60.699 62.300 0.032 0.000 0.818 667 V CB 1.149 32.963 31.823 -0.015 0.000 1.019 667 V HN 0.548 nan 8.190 nan 0.000 0.434 668 P HA 0.163 nan 4.420 nan 0.000 0.274 668 P C 0.246 177.558 177.300 0.020 0.000 1.246 668 P CA -0.217 62.890 63.100 0.012 0.000 0.795 668 P CB 0.956 32.657 31.700 0.001 0.000 1.006 669 C N 0.762 120.050 119.300 -0.020 0.000 2.633 669 C HA 0.706 5.112 4.460 -0.089 0.000 0.345 669 C C 1.167 176.158 174.990 0.001 0.000 1.384 669 C CA 1.577 60.590 59.018 -0.008 0.000 2.418 669 C CB -0.913 26.800 27.740 -0.044 0.000 2.425 669 C HN 0.918 nan 8.230 nan 0.000 0.705 670 G N 2.102 110.904 108.800 0.004 0.000 2.366 670 G HA2 0.037 3.944 3.960 -0.089 0.000 0.190 670 G HA3 0.037 3.944 3.960 -0.089 0.000 0.190 670 G C -0.953 173.955 174.900 0.013 0.000 1.299 670 G CA 0.014 45.117 45.100 0.004 0.000 1.056 670 G HN 0.988 nan 8.290 nan 0.000 0.468 671 N N 1.767 120.480 118.700 0.022 0.000 2.739 671 N HA 0.209 4.896 4.740 -0.089 0.000 0.266 671 N C 1.598 177.137 175.510 0.048 0.000 1.168 671 N CA -0.474 52.592 53.050 0.027 0.000 1.055 671 N CB -0.188 38.316 38.487 0.029 0.000 1.393 671 N HN 0.380 nan 8.380 nan 0.000 0.514 672 I N 1.347 121.934 120.570 0.028 0.000 2.567 672 I HA -0.179 3.937 4.170 -0.089 0.000 0.257 672 I C 1.935 178.048 176.117 -0.006 0.000 1.184 672 I CA 0.642 61.956 61.300 0.025 0.000 1.451 672 I CB -1.470 36.508 38.000 -0.037 0.000 1.089 672 I HN 0.514 nan 8.210 nan 0.000 0.441 673 A N 0.442 123.255 122.820 -0.012 0.000 2.067 673 A HA -0.240 4.027 4.320 -0.089 0.000 0.219 673 A C 2.064 179.668 177.584 0.034 0.000 1.158 673 A CA 1.708 53.736 52.037 -0.014 0.000 0.661 673 A CB -0.573 18.419 19.000 -0.013 0.000 0.801 673 A HN 0.399 nan 8.150 nan 0.000 0.452 674 D N 0.760 121.205 120.400 0.076 0.000 2.104 674 D HA -0.174 4.413 4.640 -0.089 0.000 0.194 674 D C 1.575 177.967 176.300 0.153 0.000 0.994 674 D CA 1.931 56.006 54.000 0.125 0.000 0.830 674 D CB -0.208 40.702 40.800 0.182 0.000 0.959 674 D HN 0.631 nan 8.370 nan 0.000 0.452 675 I N -3.496 117.190 120.570 0.193 0.000 4.082 675 I HA 0.474 4.590 4.170 -0.089 0.000 0.337 675 I C 1.767 178.024 176.117 0.233 0.000 1.352 675 I CA -0.037 61.409 61.300 0.244 0.000 1.097 675 I CB 0.228 38.436 38.000 0.346 0.000 1.048 675 I HN -0.076 nan 8.210 nan 0.000 0.393 676 A N 1.255 124.118 122.820 0.072 0.000 2.121 676 A HA -0.096 4.171 4.320 -0.089 0.000 0.218 676 A C 1.470 179.039 177.584 -0.026 0.000 1.154 676 A CA 1.512 53.469 52.037 -0.132 0.000 0.679 676 A CB -0.391 18.427 19.000 -0.304 0.000 0.795 676 A HN 0.507 nan 8.150 nan 0.000 0.458 677 D N -0.606 119.813 120.400 0.031 0.000 2.402 677 D HA 0.020 4.606 4.640 -0.089 0.000 0.216 677 D C -0.089 176.253 176.300 0.069 0.000 1.128 677 D CA -0.169 53.853 54.000 0.036 0.000 0.833 677 D CB -0.141 40.669 40.800 0.018 0.000 0.971 677 D HN 0.308 nan 8.370 nan 0.000 0.503 678 N N 1.330 120.095 118.700 0.109 0.000 2.399 678 N HA 0.021 4.708 4.740 -0.089 0.000 0.259 678 N C 1.391 176.962 175.510 0.100 0.000 1.160 678 N CA 0.008 53.126 53.050 0.114 0.000 0.946 678 N CB 1.337 39.924 38.487 0.166 0.000 1.156 678 N HN 0.007 nan 8.380 nan 0.000 0.489 679 G N 3.560 112.410 108.800 0.083 0.000 2.469 679 G HA2 -0.293 3.614 3.960 -0.089 0.000 0.219 679 G HA3 -0.293 3.614 3.960 -0.089 0.000 0.219 679 G C 1.042 176.004 174.900 0.102 0.000 1.150 679 G CA 0.650 45.797 45.100 0.078 0.000 0.763 679 G HN 0.566 nan 8.290 nan 0.000 0.561 680 D N 0.708 121.180 120.400 0.119 0.000 2.117 680 D HA 0.004 4.590 4.640 -0.089 0.000 0.197 680 D C 2.827 179.141 176.300 0.022 0.000 0.987 680 D CA 1.228 55.329 54.000 0.168 0.000 0.829 680 D CB -0.462 40.502 40.800 0.273 0.000 0.961 680 D HN 0.303 nan 8.370 nan 0.000 0.460 681 A N 0.950 123.641 122.820 -0.215 0.000 1.877 681 A HA -0.197 4.070 4.320 -0.089 0.000 0.216 681 A C 2.023 179.402 177.584 -0.342 0.000 1.186 681 A CA 1.374 53.023 52.037 -0.647 0.000 0.620 681 A CB -0.528 18.152 19.000 -0.534 0.000 0.822 681 A HN 0.172 nan 8.150 nan 0.000 0.443 682 N N -1.523 117.137 118.700 -0.066 0.000 2.084 682 N HA -0.188 4.498 4.740 -0.089 0.000 0.190 682 N C 1.723 177.235 175.510 0.004 0.000 1.030 682 N CA 1.784 54.845 53.050 0.019 0.000 0.849 682 N CB -0.492 38.081 38.487 0.144 0.000 1.012 682 N HN 0.695 nan 8.380 nan 0.000 0.423 683 Y N 0.628 120.898 120.300 -0.050 0.000 2.207 683 Y HA -0.302 4.195 4.550 -0.089 0.000 0.287 683 Y C 2.435 178.287 175.900 -0.079 0.000 1.156 683 Y CA 1.315 59.382 58.100 -0.056 0.000 1.182 683 Y CB -0.343 38.092 38.460 -0.041 0.000 0.979 683 Y HN 0.023 nan 8.280 nan 0.000 0.521 684 Y N 0.468 120.629 120.300 -0.232 0.000 2.114 684 Y HA -0.358 4.139 4.550 -0.089 0.000 0.282 684 Y C 2.143 177.831 175.900 -0.354 0.000 1.165 684 Y CA 2.224 60.145 58.100 -0.298 0.000 1.148 684 Y CB -0.530 37.742 38.460 -0.313 0.000 0.972 684 Y HN 0.120 nan 8.280 nan 0.000 0.504 685 L N -1.115 120.027 121.223 -0.134 0.000 2.056 685 L HA -0.270 4.017 4.340 -0.089 0.000 0.207 685 L C 2.390 179.146 176.870 -0.190 0.000 1.078 685 L CA 1.596 56.338 54.840 -0.164 0.000 0.749 685 L CB -0.556 41.364 42.059 -0.233 0.000 0.901 685 L HN 0.299 nan 8.230 nan 0.000 0.433 686 M N -0.688 118.755 119.600 -0.262 0.000 2.229 686 M HA -0.194 4.233 4.480 -0.089 0.000 0.264 686 M C 2.208 178.271 176.300 -0.394 0.000 1.063 686 M CA 1.546 56.694 55.300 -0.254 0.000 1.114 686 M CB -0.324 32.149 32.600 -0.211 0.000 1.387 686 M HN 0.220 nan 8.290 nan 0.000 0.420 687 E N 0.790 120.558 120.200 -0.720 0.000 2.046 687 E HA -0.161 4.135 4.350 -0.089 0.000 0.190 687 E C 2.065 178.283 176.600 -0.636 0.000 0.982 687 E CA 1.207 57.114 56.400 -0.821 0.000 0.800 687 E CB 0.006 29.136 29.700 -0.949 0.000 0.756 687 E HN 0.444 nan 8.360 nan 0.000 0.449 688 A N 0.461 123.029 122.820 -0.420 0.000 1.908 688 A HA -0.233 4.034 4.320 -0.089 0.000 0.218 688 A C 2.077 179.546 177.584 -0.192 0.000 1.181 688 A CA 1.666 53.555 52.037 -0.247 0.000 0.627 688 A CB -1.032 17.890 19.000 -0.131 0.000 0.818 688 A HN 0.581 nan 8.150 nan 0.000 0.445 689 Y N 0.458 120.595 120.300 -0.271 0.000 2.145 689 Y HA -0.219 4.278 4.550 -0.089 0.000 0.286 689 Y C 2.425 178.200 175.900 -0.208 0.000 1.145 689 Y CA 2.370 60.344 58.100 -0.210 0.000 1.148 689 Y CB -0.280 38.073 38.460 -0.178 0.000 0.981 689 Y HN 0.324 nan 8.280 nan 0.000 0.507 690 K N -0.572 119.701 120.400 -0.212 0.000 2.074 690 K HA -0.242 4.025 4.320 -0.089 0.000 0.209 690 K C 1.116 177.611 176.600 -0.175 0.000 1.048 690 K CA 2.119 58.261 56.287 -0.242 0.000 0.926 690 K CB -0.464 31.832 32.500 -0.341 0.000 0.713 690 K HN 0.595 nan 8.250 nan 0.000 0.444 691 H N 0.357 119.304 119.070 -0.205 0.000 2.555 691 H HA 0.164 4.667 4.556 -0.088 0.000 0.283 691 H C 0.013 175.176 175.328 -0.274 0.000 1.037 691 H CA 0.130 56.052 56.048 -0.209 0.000 1.169 691 H CB 0.032 29.667 29.762 -0.211 0.000 1.375 691 H HN 0.137 nan 8.280 nan 0.000 0.582 692 L N -0.127 120.950 121.223 -0.244 0.000 4.291 692 L HA -0.287 4.000 4.340 -0.089 0.000 0.413 692 L C -0.340 176.268 176.870 -0.437 0.000 1.162 692 L CA 0.636 55.238 54.840 -0.395 0.000 0.961 692 L CB -1.760 40.048 42.059 -0.418 0.000 2.095 692 L HN 0.322 nan 8.230 nan 0.000 0.838 693 K N 0.872 121.081 120.400 -0.317 0.000 2.174 693 K HA 0.437 4.704 4.320 -0.089 0.000 0.275 693 K C -2.136 174.330 176.600 -0.223 0.000 1.015 693 K CA -1.811 54.312 56.287 -0.273 0.000 0.933 693 K CB 0.561 32.953 32.500 -0.179 0.000 1.025 693 K HN -0.200 nan 8.250 nan 0.000 0.463 694 P HA 0.019 nan 4.420 nan 0.000 0.264 694 P C -0.770 176.462 177.300 -0.114 0.000 1.193 694 P CA 0.452 63.450 63.100 -0.169 0.000 0.763 694 P CB 0.392 31.991 31.700 -0.168 0.000 0.810 695 I N 2.280 122.797 120.570 -0.090 0.000 2.465 695 I HA 0.594 4.710 4.170 -0.089 0.000 0.291 695 I C -0.218 175.853 176.117 -0.077 0.000 1.014 695 I CA -0.773 60.494 61.300 -0.055 0.000 1.093 695 I CB 2.073 40.068 38.000 -0.008 0.000 1.267 695 I HN 0.264 nan 8.210 nan 0.000 0.431 696 A N 7.798 130.580 122.820 -0.065 0.000 2.330 696 A HA 0.852 5.118 4.320 -0.089 0.000 0.313 696 A C -1.039 176.641 177.584 0.161 0.000 1.124 696 A CA -0.448 51.534 52.037 -0.092 0.000 0.774 696 A CB 0.891 19.672 19.000 -0.364 0.000 1.198 696 A HN 0.672 nan 8.150 nan 0.000 0.465 697 L N 2.455 123.827 121.223 0.249 0.000 2.343 697 L HA 0.684 4.971 4.340 -0.089 0.000 0.278 697 L C 0.293 177.348 176.870 0.308 0.000 0.996 697 L CA -0.517 54.476 54.840 0.255 0.000 0.831 697 L CB 1.821 43.978 42.059 0.163 0.000 1.232 697 L HN 0.773 nan 8.230 nan 0.000 0.413 698 A N 2.422 125.336 122.820 0.157 0.000 2.304 698 A HA 0.828 5.094 4.320 -0.089 0.000 0.323 698 A C 0.727 178.296 177.584 -0.025 0.000 1.195 698 A CA 0.354 52.358 52.037 -0.055 0.000 0.826 698 A CB 1.145 19.922 19.000 -0.373 0.000 1.184 698 A HN 0.982 nan 8.150 nan 0.000 0.496 699 G N 2.059 110.839 108.800 -0.033 0.000 2.602 699 G HA2 -0.331 3.576 3.960 -0.089 0.000 0.310 699 G HA3 -0.331 3.576 3.960 -0.089 0.000 0.310 699 G C 0.387 175.288 174.900 0.000 0.000 1.183 699 G CA 0.776 45.862 45.100 -0.023 0.000 0.979 699 G HN 0.713 nan 8.290 nan 0.000 0.545 700 D N 1.883 122.280 120.400 -0.005 0.000 2.363 700 D HA 0.376 4.963 4.640 -0.089 0.000 0.226 700 D C 2.252 178.555 176.300 0.005 0.000 1.020 700 D CA 1.154 55.146 54.000 -0.013 0.000 0.892 700 D CB -0.347 40.436 40.800 -0.029 0.000 0.900 700 D HN 0.727 nan 8.370 nan 0.000 0.531 701 A N 0.489 123.350 122.820 0.068 0.000 2.119 701 A HA -0.098 4.168 4.320 -0.089 0.000 0.217 701 A C 2.042 179.742 177.584 0.194 0.000 1.153 701 A CA 0.437 52.589 52.037 0.191 0.000 0.692 701 A CB -0.230 18.887 19.000 0.196 0.000 0.799 701 A HN 0.085 nan 8.150 nan 0.000 0.458 702 R N -0.461 120.096 120.500 0.095 0.000 2.293 702 R HA -0.080 4.206 4.340 -0.089 0.000 0.219 702 R C 1.599 177.912 176.300 0.022 0.000 1.091 702 R CA 1.166 57.308 56.100 0.070 0.000 1.004 702 R CB -0.137 30.190 30.300 0.046 0.000 0.865 702 R HN 0.352 nan 8.270 nan 0.000 0.469 703 K N -0.057 120.314 120.400 -0.048 0.000 2.209 703 K HA -0.096 4.171 4.320 -0.089 0.000 0.204 703 K C 1.178 177.676 176.600 -0.170 0.000 1.048 703 K CA 1.217 57.417 56.287 -0.146 0.000 0.940 703 K CB -0.110 32.241 32.500 -0.248 0.000 0.729 703 K HN 0.118 nan 8.250 nan 0.000 0.451 704 F N 1.025 120.953 119.950 -0.037 0.000 2.641 704 F HA -0.113 4.360 4.527 -0.089 0.000 0.298 704 F C 1.599 177.355 175.800 -0.074 0.000 1.146 704 F CA 0.721 58.689 58.000 -0.054 0.000 1.464 704 F CB -0.013 38.953 39.000 -0.056 0.000 1.101 704 F HN -0.039 nan 8.300 nan 0.000 0.585 705 K N 0.259 120.706 120.400 0.079 0.000 2.152 705 K HA -0.175 4.092 4.320 -0.089 0.000 0.206 705 K C 2.342 178.919 176.600 -0.038 0.000 1.048 705 K CA 1.115 57.403 56.287 0.000 0.000 0.933 705 K CB -0.350 32.146 32.500 -0.006 0.000 0.721 705 K HN 0.253 nan 8.250 nan 0.000 0.447 706 A N 1.223 124.027 122.820 -0.028 0.000 1.933 706 A HA -0.182 4.084 4.320 -0.089 0.000 0.218 706 A C 2.272 179.833 177.584 -0.038 0.000 1.175 706 A CA 2.207 54.220 52.037 -0.039 0.000 0.628 706 A CB -1.153 17.822 19.000 -0.041 0.000 0.814 706 A HN 0.491 nan 8.150 nan 0.000 0.444 707 T N -0.769 113.783 114.554 -0.004 0.000 2.915 707 T HA -0.047 4.250 4.350 -0.089 0.000 0.269 707 T C 1.318 175.960 174.700 -0.097 0.000 1.071 707 T CA 1.333 63.427 62.100 -0.011 0.000 1.132 707 T CB -0.657 68.237 68.868 0.044 0.000 0.878 707 T HN 0.774 nan 8.240 nan 0.000 0.479 708 I N -2.968 117.493 120.570 -0.181 0.000 3.889 708 I HA 0.481 4.597 4.170 -0.089 0.000 0.332 708 I C -0.269 175.596 176.117 -0.420 0.000 1.493 708 I CA -0.934 60.117 61.300 -0.415 0.000 1.158 708 I CB -0.052 37.537 38.000 -0.685 0.000 1.117 708 I HN -0.199 nan 8.210 nan 0.000 0.411 709 K N 2.497 122.772 120.400 -0.209 0.000 3.540 709 K HA -0.121 4.146 4.320 -0.089 0.000 0.274 709 K C -0.450 176.077 176.600 -0.121 0.000 0.890 709 K CA 0.743 56.951 56.287 -0.132 0.000 0.701 709 K CB -1.434 31.014 32.500 -0.086 0.000 1.523 709 K HN 0.620 nan 8.250 nan 0.000 0.450 710 I N 0.750 121.251 120.570 -0.115 0.000 2.385 710 I HA 0.246 4.362 4.170 -0.089 0.000 0.294 710 I C 1.146 177.245 176.117 -0.031 0.000 0.988 710 I CA -0.647 60.614 61.300 -0.065 0.000 1.265 710 I CB 1.521 39.482 38.000 -0.066 0.000 1.388 710 I HN 0.317 nan 8.210 nan 0.000 0.480 711 A N 4.404 127.217 122.820 -0.012 0.000 2.492 711 A HA 0.011 4.277 4.320 -0.089 0.000 0.236 711 A C 1.047 178.628 177.584 -0.004 0.000 1.078 711 A CA -0.070 51.964 52.037 -0.006 0.000 0.773 711 A CB 0.113 19.115 19.000 0.002 0.000 1.023 711 A HN 0.829 nan 8.150 nan 0.000 0.504 712 D N 0.040 120.438 120.400 -0.004 0.000 2.144 712 D HA -0.174 4.413 4.640 -0.089 0.000 0.199 712 D C 2.021 178.323 176.300 0.003 0.000 0.984 712 D CA 2.074 56.073 54.000 -0.002 0.000 0.834 712 D CB -0.077 40.722 40.800 -0.003 0.000 0.955 712 D HN 0.832 nan 8.370 nan 0.000 0.465 713 Q N 0.125 119.927 119.800 0.004 0.000 2.482 713 Q HA 0.241 4.528 4.340 -0.089 0.000 0.209 713 Q C 0.937 176.942 176.000 0.008 0.000 0.961 713 Q CA 0.673 56.480 55.803 0.007 0.000 0.945 713 Q CB 0.277 29.019 28.738 0.006 0.000 1.012 713 Q HN 0.092 nan 8.270 nan 0.000 0.515 714 G N 0.564 109.369 108.800 0.008 0.000 2.660 714 G HA2 -0.235 3.671 3.960 -0.089 0.000 0.247 714 G HA3 -0.235 3.671 3.960 -0.089 0.000 0.247 714 G C -1.292 173.616 174.900 0.013 0.000 1.328 714 G CA -0.231 44.875 45.100 0.011 0.000 0.884 714 G HN 0.471 nan 8.290 nan 0.000 0.531 715 E N -0.671 119.537 120.200 0.014 0.000 2.381 715 E HA 0.379 4.676 4.350 -0.089 0.000 0.286 715 E C -0.814 175.787 176.600 0.002 0.000 0.960 715 E CA -0.764 55.646 56.400 0.017 0.000 0.793 715 E CB 1.087 30.813 29.700 0.044 0.000 1.225 715 E HN 0.438 nan 8.360 nan 0.000 0.420 716 E N 1.457 121.651 120.200 -0.011 0.000 2.417 716 E HA 0.236 4.533 4.350 -0.089 0.000 0.261 716 E C 0.742 177.308 176.600 -0.056 0.000 1.000 716 E CA 1.558 57.937 56.400 -0.035 0.000 0.919 716 E CB 1.179 30.857 29.700 -0.037 0.000 0.955 716 E HN 0.873 nan 8.360 nan 0.000 0.455 717 G N 3.026 111.779 108.800 -0.078 0.000 2.253 717 G HA2 -0.196 3.710 3.960 -0.089 0.000 0.209 717 G HA3 -0.196 3.710 3.960 -0.089 0.000 0.209 717 G C 0.127 174.980 174.900 -0.078 0.000 0.997 717 G CA -0.416 44.618 45.100 -0.110 0.000 0.640 717 G HN 0.410 nan 8.290 nan 0.000 0.496 718 I N 2.397 122.944 120.570 -0.039 0.000 2.355 718 I HA 0.489 4.606 4.170 -0.089 0.000 0.288 718 I C 0.476 176.558 176.117 -0.057 0.000 0.999 718 I CA -1.102 60.182 61.300 -0.026 0.000 1.163 718 I CB 1.264 39.278 38.000 0.023 0.000 1.316 718 I HN -0.076 nan 8.210 nan 0.000 0.454 719 V N 7.419 127.262 119.914 -0.118 0.000 2.465 719 V HA 0.409 4.476 4.120 -0.089 0.000 0.279 719 V C 0.198 176.267 176.094 -0.042 0.000 1.045 719 V CA -0.468 61.724 62.300 -0.179 0.000 0.938 719 V CB 1.190 32.734 31.823 -0.465 0.000 0.986 719 V HN 0.866 nan 8.190 nan 0.000 0.467 720 E N 4.021 124.264 120.200 0.073 0.000 2.343 720 E HA 0.866 5.163 4.350 -0.089 0.000 0.278 720 E C -1.035 175.698 176.600 0.222 0.000 0.910 720 E CA -0.953 55.566 56.400 0.199 0.000 0.757 720 E CB 2.486 32.251 29.700 0.109 0.000 1.218 720 E HN 0.835 nan 8.360 nan 0.000 0.435 721 A N 1.979 124.941 122.820 0.237 0.000 2.566 721 A HA 0.359 4.625 4.320 -0.089 0.000 0.290 721 A C -0.431 177.173 177.584 0.033 0.000 1.071 721 A CA -0.610 51.511 52.037 0.139 0.000 0.658 721 A CB 1.210 20.334 19.000 0.207 0.000 1.285 721 A HN 0.609 nan 8.150 nan 0.000 0.427 722 D N 0.460 120.861 120.400 0.002 0.000 2.149 722 D HA -0.006 4.581 4.640 -0.089 0.000 0.198 722 D C 1.137 177.387 176.300 -0.083 0.000 0.990 722 D CA 2.409 56.391 54.000 -0.030 0.000 0.839 722 D CB 0.050 40.838 40.800 -0.021 0.000 0.948 722 D HN 0.806 nan 8.370 nan 0.000 0.460 723 S N -1.856 113.760 115.700 -0.141 0.000 2.705 723 S HA 0.669 5.085 4.470 -0.089 0.000 0.280 723 S C -0.612 173.690 174.600 -0.496 0.000 1.174 723 S CA -0.585 57.469 58.200 -0.243 0.000 0.823 723 S CB 1.965 65.072 63.200 -0.156 0.000 1.162 723 S HN -0.034 nan 8.310 nan 0.000 0.487 724 A N 1.315 123.774 122.820 -0.602 0.000 3.258 724 A HA 0.469 4.736 4.320 -0.089 0.000 0.275 724 A C 0.260 177.660 177.584 -0.307 0.000 1.452 724 A CA -0.408 51.066 52.037 -0.938 0.000 1.120 724 A CB -1.766 16.775 19.000 -0.765 0.000 1.107 724 A HN 0.834 nan 8.150 nan 0.000 0.651 725 D N -0.252 120.059 120.400 -0.149 0.000 2.181 725 D HA 0.237 4.824 4.640 -0.089 0.000 0.262 725 D C 1.493 177.839 176.300 0.076 0.000 1.222 725 D CA 0.392 54.382 54.000 -0.017 0.000 0.993 725 D CB -0.170 40.627 40.800 -0.004 0.000 1.160 725 D HN 0.019 nan 8.370 nan 0.000 0.528 726 G N -1.606 107.233 108.800 0.064 0.000 2.464 726 G HA2 -0.191 3.715 3.960 -0.089 0.000 0.217 726 G HA3 -0.191 3.715 3.960 -0.089 0.000 0.217 726 G C 1.536 176.489 174.900 0.089 0.000 1.138 726 G CA 0.803 45.946 45.100 0.072 0.000 0.793 726 G HN 0.460 nan 8.290 nan 0.000 0.539 727 S N -0.150 115.607 115.700 0.096 0.000 2.387 727 S HA -0.081 4.336 4.470 -0.089 0.000 0.226 727 S C 2.055 176.731 174.600 0.126 0.000 1.026 727 S CA 1.186 59.439 58.200 0.089 0.000 0.972 727 S CB -0.395 62.849 63.200 0.074 0.000 0.814 727 S HN 0.355 nan 8.310 nan 0.000 0.477 728 F N 2.059 122.006 119.950 -0.004 0.000 2.134 728 F HA -0.017 4.456 4.527 -0.089 0.000 0.299 728 F C 2.029 177.825 175.800 -0.007 0.000 1.097 728 F CA 1.589 59.586 58.000 -0.005 0.000 1.264 728 F CB -0.333 38.665 39.000 -0.003 0.000 1.001 728 F HN 0.187 nan 8.300 nan 0.000 0.479 729 M N 0.304 120.041 119.600 0.229 0.000 2.175 729 M HA -0.163 4.264 4.480 -0.089 0.000 0.264 729 M C 1.787 178.081 176.300 -0.010 0.000 1.063 729 M CA 1.305 56.655 55.300 0.084 0.000 1.119 729 M CB -1.403 31.280 32.600 0.139 0.000 1.377 729 M HN 0.129 nan 8.290 nan 0.000 0.415 730 D N 0.605 121.010 120.400 0.008 0.000 2.097 730 D HA -0.148 4.439 4.640 -0.089 0.000 0.195 730 D C 1.998 178.270 176.300 -0.047 0.000 0.989 730 D CA 1.229 55.222 54.000 -0.012 0.000 0.827 730 D CB -0.144 40.658 40.800 0.004 0.000 0.966 730 D HN 0.483 nan 8.370 nan 0.000 0.456 731 E N 0.465 120.622 120.200 -0.072 0.000 2.051 731 E HA -0.132 4.165 4.350 -0.089 0.000 0.192 731 E C 2.169 178.680 176.600 -0.148 0.000 0.991 731 E CA 0.233 56.570 56.400 -0.105 0.000 0.799 731 E CB -0.077 29.548 29.700 -0.126 0.000 0.748 731 E HN 0.170 nan 8.360 nan 0.000 0.449 732 L N 1.213 122.305 121.223 -0.218 0.000 1.989 732 L HA -0.197 4.090 4.340 -0.089 0.000 0.211 732 L C 2.262 179.056 176.870 -0.127 0.000 1.071 732 L CA 1.681 56.390 54.840 -0.219 0.000 0.749 732 L CB -0.564 41.317 42.059 -0.297 0.000 0.890 732 L HN 0.240 nan 8.230 nan 0.000 0.431 733 L N -0.424 120.747 121.223 -0.088 0.000 2.079 733 L HA -0.232 4.055 4.340 -0.089 0.000 0.210 733 L C 2.480 179.323 176.870 -0.046 0.000 1.081 733 L CA 1.693 56.501 54.840 -0.053 0.000 0.752 733 L CB -0.835 41.205 42.059 -0.032 0.000 0.896 733 L HN 0.305 nan 8.230 nan 0.000 0.433 734 T N 0.160 114.684 114.554 -0.050 0.000 2.746 734 T HA -0.150 4.146 4.350 -0.089 0.000 0.267 734 T C 1.959 176.627 174.700 -0.053 0.000 1.039 734 T CA 1.188 63.264 62.100 -0.039 0.000 1.142 734 T CB -0.224 68.621 68.868 -0.038 0.000 0.866 734 T HN 0.198 nan 8.240 nan 0.000 0.444 735 L N 0.215 121.387 121.223 -0.086 0.000 2.046 735 L HA -0.059 4.227 4.340 -0.089 0.000 0.208 735 L C 2.703 179.507 176.870 -0.110 0.000 1.077 735 L CA 1.275 56.046 54.840 -0.116 0.000 0.747 735 L CB -0.548 41.421 42.059 -0.150 0.000 0.896 735 L HN 0.290 nan 8.230 nan 0.000 0.432 736 M N -0.723 118.827 119.600 -0.082 0.000 2.213 736 M HA -0.177 4.249 4.480 -0.089 0.000 0.263 736 M C 2.422 178.725 176.300 0.004 0.000 1.062 736 M CA 1.723 56.993 55.300 -0.049 0.000 1.105 736 M CB -0.460 32.121 32.600 -0.032 0.000 1.385 736 M HN 0.319 nan 8.290 nan 0.000 0.417 737 A N 0.113 122.937 122.820 0.007 0.000 2.067 737 A HA 0.081 4.348 4.320 -0.089 0.000 0.219 737 A C 2.115 179.746 177.584 0.077 0.000 1.158 737 A CA 1.591 53.654 52.037 0.043 0.000 0.661 737 A CB -0.598 18.420 19.000 0.030 0.000 0.801 737 A HN 0.493 nan 8.150 nan 0.000 0.452 738 A N -2.418 120.427 122.820 0.041 0.000 2.307 738 A HA 0.356 4.622 4.320 -0.089 0.000 0.218 738 A C 0.929 178.542 177.584 0.047 0.000 1.228 738 A CA 1.203 53.276 52.037 0.061 0.000 0.857 738 A CB -0.519 18.475 19.000 -0.011 0.000 0.897 738 A HN 0.969 nan 8.150 nan 0.000 0.495 739 H N -1.167 117.850 119.070 -0.088 0.000 4.955 739 H HA -0.205 4.297 4.556 -0.089 0.000 0.059 739 H C 0.094 175.209 175.328 -0.354 0.000 0.580 739 H CA 2.452 58.429 56.048 -0.117 0.000 0.969 739 H CB -0.573 29.232 29.762 0.073 0.000 0.469 739 H HN 0.462 nan 8.280 nan 0.000 0.792 740 R N -0.342 119.590 120.500 -0.947 0.000 2.836 740 R HA 0.608 4.895 4.340 -0.089 0.000 0.269 740 R C -0.680 174.775 176.300 -1.409 0.000 1.010 740 R CA -0.301 55.006 56.100 -1.321 0.000 0.930 740 R CB 1.742 30.963 30.300 -1.797 0.000 1.218 740 R HN 0.077 nan 8.270 nan 0.000 0.473 741 V N 2.295 121.615 119.914 -0.991 0.000 2.174 741 V HA 0.109 4.176 4.120 -0.089 0.000 0.259 741 V C 0.734 176.469 176.094 -0.599 0.000 1.261 741 V CA -0.475 61.418 62.300 -0.678 0.000 1.137 741 V CB -0.383 31.183 31.823 -0.428 0.000 1.290 741 V HN 0.719 nan 8.190 nan 0.000 0.486 742 W N 1.567 122.592 121.300 -0.458 0.000 2.364 742 W HA -0.199 4.407 4.660 -0.089 0.000 0.281 742 W C 2.529 178.826 176.519 -0.370 0.000 1.219 742 W CA 0.884 57.866 57.345 -0.606 0.000 1.220 742 W CB -0.431 28.287 29.460 -1.237 0.000 1.127 742 W HN 0.652 nan 8.180 nan 0.000 0.556 743 S N 0.699 116.352 115.700 -0.079 0.000 2.507 743 S HA -0.143 4.274 4.470 -0.089 0.000 0.235 743 S C 1.726 176.289 174.600 -0.062 0.000 0.988 743 S CA 0.905 59.077 58.200 -0.047 0.000 0.944 743 S CB -0.386 62.788 63.200 -0.044 0.000 0.762 743 S HN 0.413 nan 8.310 nan 0.000 0.526 744 R N 0.617 121.041 120.500 -0.127 0.000 2.275 744 R HA 0.241 4.528 4.340 -0.089 0.000 0.199 744 R C 1.827 178.060 176.300 -0.112 0.000 0.989 744 R CA 0.397 56.401 56.100 -0.160 0.000 1.016 744 R CB -0.376 29.723 30.300 -0.335 0.000 0.918 744 R HN 0.470 nan 8.270 nan 0.000 0.473 745 I N 1.892 122.435 120.570 -0.047 0.000 2.091 745 I HA -0.285 3.831 4.170 -0.089 0.000 0.240 745 I C -0.793 175.348 176.117 0.040 0.000 1.046 745 I CA 1.722 63.040 61.300 0.030 0.000 1.306 745 I CB -0.966 37.097 38.000 0.105 0.000 1.018 745 I HN 0.172 nan 8.210 nan 0.000 0.404 746 P HA -0.137 nan 4.420 nan 0.000 0.225 746 P C 0.991 178.322 177.300 0.051 0.000 1.148 746 P CA 1.386 64.516 63.100 0.051 0.000 0.779 746 P CB -0.048 31.680 31.700 0.046 0.000 0.780 747 K N -0.345 120.081 120.400 0.044 0.000 2.323 747 K HA 0.118 4.384 4.320 -0.089 0.000 0.197 747 K C 1.932 178.602 176.600 0.117 0.000 1.043 747 K CA 0.548 56.886 56.287 0.085 0.000 0.997 747 K CB -0.327 32.249 32.500 0.127 0.000 0.807 747 K HN 0.256 nan 8.250 nan 0.000 0.497 748 I N -1.145 119.463 120.570 0.064 0.000 3.001 748 I HA -0.103 4.013 4.170 -0.089 0.000 0.268 748 I C 1.383 177.553 176.117 0.089 0.000 1.267 748 I CA 1.163 62.512 61.300 0.082 0.000 1.472 748 I CB -0.181 37.813 38.000 -0.009 0.000 1.089 748 I HN -0.071 nan 8.210 nan 0.000 0.468 749 D N 2.382 122.831 120.400 0.082 0.000 2.116 749 D HA -0.167 4.420 4.640 -0.089 0.000 0.193 749 D C 1.477 177.820 176.300 0.072 0.000 0.998 749 D CA 1.332 55.378 54.000 0.078 0.000 0.836 749 D CB 0.138 40.981 40.800 0.072 0.000 0.951 749 D HN 0.213 nan 8.370 nan 0.000 0.449 750 K N 0.097 120.540 120.400 0.072 0.000 2.708 750 K HA 0.129 4.396 4.320 -0.089 0.000 0.219 750 K C -0.127 176.506 176.600 0.056 0.000 1.068 750 K CA -0.229 56.093 56.287 0.059 0.000 1.212 750 K CB 0.680 33.210 32.500 0.050 0.000 0.978 750 K HN 0.241 nan 8.250 nan 0.000 0.475 751 I N 3.371 123.983 120.570 0.070 0.000 2.382 751 I HA 0.229 4.346 4.170 -0.089 0.000 0.286 751 I C -2.545 173.606 176.117 0.057 0.000 1.002 751 I CA -2.656 58.681 61.300 0.061 0.000 1.135 751 I CB 2.014 40.076 38.000 0.103 0.000 1.288 751 I HN -0.094 nan 8.210 nan 0.000 0.448 752 P HA 0.415 nan 4.420 nan 0.000 0.260 752 P C -0.832 176.526 177.300 0.096 0.000 1.651 752 P CA -0.010 63.127 63.100 0.063 0.000 1.139 752 P CB 0.473 32.203 31.700 0.050 0.000 1.756 753 A N 0.000 122.881 122.820 0.101 0.000 2.254 753 A HA 0.000 4.267 4.320 -0.089 0.000 0.244 753 A CA 0.000 52.140 52.037 0.172 0.000 0.836 753 A CB 0.000 19.021 19.000 0.036 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486