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 1p7y_1_B DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRAIRGFA 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 53.987 54.000 -0.021 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 28 S N -0.142 115.537 115.700 -0.035 0.000 4.110 28 S HA 0.031 4.504 4.470 0.005 0.000 0.186 28 S C 0.001 174.565 174.600 -0.060 0.000 0.720 28 S CA -0.116 58.055 58.200 -0.048 0.000 0.976 28 S CB -1.238 61.937 63.200 -0.042 0.000 0.659 28 S HN 0.362 nan 8.310 nan 0.000 0.849 29 L N 1.954 123.132 121.223 -0.076 0.000 2.463 29 L HA 0.428 4.771 4.340 0.005 0.000 0.219 29 L C 1.503 178.295 176.870 -0.130 0.000 1.088 29 L CA 0.749 55.540 54.840 -0.081 0.000 0.849 29 L CB -0.205 41.816 42.059 -0.064 0.000 1.012 29 L HN 0.699 nan 8.230 nan 0.000 0.468 30 A N 1.374 124.066 122.820 -0.213 0.000 2.386 30 A HA 0.372 4.695 4.320 0.005 0.000 0.248 30 A C -2.077 175.372 177.584 -0.225 0.000 1.082 30 A CA -0.973 50.829 52.037 -0.392 0.000 0.789 30 A CB -0.561 17.932 19.000 -0.845 0.000 1.025 30 A HN -0.033 nan 8.150 nan 0.000 0.490 31 P HA 0.089 nan 4.420 nan 0.000 0.268 31 P C 0.075 177.368 177.300 -0.012 0.000 1.204 31 P CA 0.068 63.141 63.100 -0.044 0.000 0.768 31 P CB 0.903 32.616 31.700 0.021 0.000 0.842 32 E N 2.107 122.305 120.200 -0.003 0.000 2.110 32 E HA -0.202 4.151 4.350 0.005 0.000 0.193 32 E C 1.371 177.993 176.600 0.036 0.000 0.988 32 E CA 1.615 58.021 56.400 0.011 0.000 0.804 32 E CB -0.533 29.169 29.700 0.003 0.000 0.745 32 E HN 0.563 nan 8.360 nan 0.000 0.458 33 D N -1.099 119.326 120.400 0.041 0.000 2.309 33 D HA -0.076 4.567 4.640 0.005 0.000 0.212 33 D C 1.294 177.640 176.300 0.076 0.000 0.968 33 D CA 1.169 55.198 54.000 0.048 0.000 0.882 33 D CB -0.505 40.318 40.800 0.038 0.000 0.918 33 D HN 0.251 nan 8.370 nan 0.000 0.503 34 G N -0.015 108.869 108.800 0.141 0.000 2.143 34 G HA2 -0.319 3.644 3.960 0.005 0.000 0.248 34 G HA3 -0.319 3.644 3.960 0.005 0.000 0.248 34 G C 0.823 175.800 174.900 0.128 0.000 0.991 34 G CA 0.845 46.068 45.100 0.203 0.000 0.689 34 G HN 0.783 nan 8.290 nan 0.000 0.522 35 S N 0.454 116.243 115.700 0.148 0.000 2.701 35 S HA 0.090 4.563 4.470 0.005 0.000 0.220 35 S C 1.698 176.357 174.600 0.098 0.000 0.954 35 S CA 0.834 59.080 58.200 0.077 0.000 0.936 35 S CB -0.470 62.767 63.200 0.062 0.000 0.777 35 S HN 0.917 nan 8.310 nan 0.000 0.518 36 H N -0.082 118.995 119.070 0.012 0.000 2.562 36 H HA 0.377 4.936 4.556 0.005 0.000 0.267 36 H C 0.194 175.534 175.328 0.020 0.000 0.959 36 H CA -0.215 55.841 56.048 0.013 0.000 1.204 36 H CB -0.151 29.617 29.762 0.011 0.000 1.430 36 H HN 0.179 nan 8.280 nan 0.000 0.545 37 R N 2.600 122.766 120.500 -0.556 0.000 2.295 37 R HA 0.372 4.715 4.340 0.005 0.000 0.324 37 R C -2.546 173.659 176.300 -0.160 0.000 0.968 37 R CA -2.301 53.564 56.100 -0.391 0.000 0.837 37 R CB 0.939 30.920 30.300 -0.531 0.000 1.133 37 R HN 0.210 nan 8.270 nan 0.000 0.450 38 P HA 0.150 nan 4.420 nan 0.000 0.271 38 P C -0.771 176.521 177.300 -0.014 0.000 1.220 38 P CA -0.399 62.688 63.100 -0.020 0.000 0.768 38 P CB 0.934 32.647 31.700 0.021 0.000 0.848 39 A N 3.269 126.086 122.820 -0.005 0.000 2.531 39 A HA 0.341 4.664 4.320 0.005 0.000 0.236 39 A C 1.009 178.603 177.584 0.017 0.000 1.062 39 A CA 0.254 52.292 52.037 0.002 0.000 0.760 39 A CB -0.344 18.660 19.000 0.007 0.000 0.995 39 A HN 0.587 nan 8.150 nan 0.000 0.501 40 A N 2.526 125.355 122.820 0.016 0.000 3.197 40 A HA 0.487 4.810 4.320 0.005 0.000 0.263 40 A C 0.370 177.972 177.584 0.030 0.000 1.524 40 A CA 0.187 52.239 52.037 0.026 0.000 1.176 40 A CB -0.808 18.204 19.000 0.020 0.000 1.096 40 A HN 0.884 nan 8.150 nan 0.000 0.655 41 E N -0.450 119.770 120.200 0.033 0.000 2.390 41 E HA 0.507 4.860 4.350 0.005 0.000 0.277 41 E C -3.232 173.391 176.600 0.039 0.000 0.939 41 E CA -2.540 53.881 56.400 0.035 0.000 0.769 41 E CB 1.349 31.064 29.700 0.025 0.000 1.251 41 E HN 0.034 nan 8.360 nan 0.000 0.450 42 P HA 0.030 nan 4.420 nan 0.000 0.263 42 P C -0.551 176.763 177.300 0.023 0.000 1.195 42 P CA 0.356 63.477 63.100 0.034 0.000 0.762 42 P CB 0.422 32.130 31.700 0.015 0.000 0.799 43 T N 0.932 115.497 114.554 0.019 0.000 2.903 43 T HA 0.626 4.979 4.350 0.005 0.000 0.299 43 T C -3.041 171.640 174.700 -0.032 0.000 1.093 43 T CA -2.807 59.297 62.100 0.007 0.000 1.002 43 T CB 1.512 70.388 68.868 0.013 0.000 1.127 43 T HN 0.006 nan 8.240 nan 0.000 0.488 44 P HA 0.309 nan 4.420 nan 0.000 0.270 44 P C -2.655 174.507 177.300 -0.230 0.000 1.223 44 P CA -1.380 61.573 63.100 -0.246 0.000 0.785 44 P CB -0.931 30.685 31.700 -0.139 0.000 0.923 45 P HA 0.013 nan 4.420 nan 0.000 0.261 45 P C 1.053 178.300 177.300 -0.088 0.000 1.183 45 P CA 1.284 64.278 63.100 -0.176 0.000 0.761 45 P CB -0.238 31.355 31.700 -0.178 0.000 0.785 46 G N 2.845 111.627 108.800 -0.031 0.000 2.179 46 G HA2 -0.329 3.634 3.960 0.005 0.000 0.260 46 G HA3 -0.329 3.634 3.960 0.005 0.000 0.260 46 G C 1.039 175.938 174.900 -0.002 0.000 0.977 46 G CA 0.384 45.480 45.100 -0.006 0.000 0.641 46 G HN 0.711 nan 8.290 nan 0.000 0.533 47 A N -1.280 121.534 122.820 -0.010 0.000 2.072 47 A HA 0.483 4.806 4.320 0.005 0.000 0.216 47 A C 1.307 178.896 177.584 0.008 0.000 1.156 47 A CA 1.803 53.840 52.037 -0.000 0.000 0.701 47 A CB 0.071 19.069 19.000 -0.004 0.000 0.816 47 A HN 0.502 nan 8.150 nan 0.000 0.458 48 Q N -0.984 118.824 119.800 0.013 0.000 2.501 48 Q HA 0.415 4.758 4.340 0.005 0.000 0.288 48 Q C -3.017 172.999 176.000 0.026 0.000 1.051 48 Q CA -2.036 53.779 55.803 0.019 0.000 0.788 48 Q CB 0.878 29.631 28.738 0.026 0.000 1.469 48 Q HN 0.036 nan 8.270 nan 0.000 0.416 49 P HA 0.064 nan 4.420 nan 0.000 0.271 49 P C -0.276 177.053 177.300 0.048 0.000 1.216 49 P CA 0.039 63.153 63.100 0.023 0.000 0.771 49 P CB 0.220 31.932 31.700 0.019 0.000 0.864 50 T N -0.195 114.385 114.554 0.043 0.000 2.813 50 T HA 0.586 4.939 4.350 0.005 0.000 0.297 50 T C 0.058 174.834 174.700 0.127 0.000 1.036 50 T CA -0.489 61.680 62.100 0.115 0.000 1.044 50 T CB 0.626 69.483 68.868 -0.017 0.000 0.993 50 T HN 0.577 nan 8.240 nan 0.000 0.535 51 A N 1.644 124.641 122.820 0.294 0.000 2.609 51 A HA 0.768 5.091 4.320 0.005 0.000 0.291 51 A C -3.023 174.824 177.584 0.438 0.000 1.096 51 A CA -2.050 50.139 52.037 0.253 0.000 0.684 51 A CB 0.685 19.788 19.000 0.172 0.000 1.282 51 A HN 0.665 nan 8.150 nan 0.000 0.412 52 P HA 0.089 nan 4.420 nan 0.000 0.262 52 P C 1.256 178.709 177.300 0.254 0.000 1.182 52 P CA 1.032 64.350 63.100 0.363 0.000 0.761 52 P CB 0.440 32.273 31.700 0.222 0.000 0.795 53 G N 3.144 112.055 108.800 0.185 0.000 2.505 53 G HA2 -0.336 3.627 3.960 0.005 0.000 0.220 53 G HA3 -0.336 3.627 3.960 0.005 0.000 0.220 53 G C 1.534 176.445 174.900 0.018 0.000 1.145 53 G CA 1.237 46.352 45.100 0.026 0.000 0.761 53 G HN 0.594 nan 8.290 nan 0.000 0.571 54 S N -0.151 115.563 115.700 0.023 0.000 2.481 54 S HA 0.183 4.656 4.470 0.005 0.000 0.231 54 S C 2.187 176.804 174.600 0.028 0.000 0.996 54 S CA 0.688 58.891 58.200 0.004 0.000 0.942 54 S CB -0.110 63.084 63.200 -0.010 0.000 0.768 54 S HN 0.322 nan 8.310 nan 0.000 0.520 55 L N -0.019 121.238 121.223 0.057 0.000 2.298 55 L HA 0.255 4.598 4.340 0.005 0.000 0.209 55 L C 2.646 179.549 176.870 0.056 0.000 1.084 55 L CA 0.814 55.688 54.840 0.057 0.000 0.816 55 L CB -0.273 41.827 42.059 0.069 0.000 0.967 55 L HN 0.249 nan 8.230 nan 0.000 0.460 56 K N 1.277 121.721 120.400 0.074 0.000 2.167 56 K HA 0.047 4.370 4.320 0.005 0.000 0.203 56 K C 0.538 177.168 176.600 0.050 0.000 1.052 56 K CA 1.161 57.491 56.287 0.072 0.000 0.956 56 K CB 0.189 32.753 32.500 0.108 0.000 0.735 56 K HN 0.138 nan 8.250 nan 0.000 0.451 57 A N 0.749 123.589 122.820 0.033 0.000 3.156 57 A HA 0.347 4.670 4.320 0.005 0.000 0.311 57 A C -2.264 175.323 177.584 0.005 0.000 1.129 57 A CA -0.990 51.063 52.037 0.026 0.000 0.809 57 A CB 0.750 19.770 19.000 0.033 0.000 1.257 57 A HN 0.108 nan 8.150 nan 0.000 0.491 58 P HA -0.116 nan 4.420 nan 0.000 0.220 58 P C 0.135 177.428 177.300 -0.012 0.000 1.148 58 P CA 1.246 64.345 63.100 -0.003 0.000 0.803 58 P CB 0.321 32.024 31.700 0.005 0.000 0.782 59 D N -1.079 119.318 120.400 -0.005 0.000 2.340 59 D HA 0.043 4.686 4.640 0.005 0.000 0.217 59 D C 0.121 176.411 176.300 -0.016 0.000 1.081 59 D CA 0.416 54.411 54.000 -0.009 0.000 0.842 59 D CB -0.096 40.706 40.800 0.003 0.000 0.934 59 D HN 0.085 nan 8.370 nan 0.000 0.511 60 T N 1.559 116.099 114.554 -0.023 0.000 2.723 60 T HA 0.379 4.732 4.350 0.005 0.000 0.297 60 T C 0.424 175.084 174.700 -0.066 0.000 0.925 60 T CA -0.204 61.871 62.100 -0.040 0.000 1.030 60 T CB 1.054 69.893 68.868 -0.048 0.000 0.905 60 T HN -0.094 nan 8.240 nan 0.000 0.502 61 R N 2.762 123.219 120.500 -0.072 0.000 2.888 61 R HA 0.708 5.051 4.340 0.005 0.000 0.266 61 R C -0.546 175.703 176.300 -0.085 0.000 1.020 61 R CA -0.981 55.071 56.100 -0.080 0.000 0.963 61 R CB 1.437 31.697 30.300 -0.067 0.000 1.197 61 R HN 0.743 nan 8.270 nan 0.000 0.481 62 N N -1.664 116.990 118.700 -0.076 0.000 2.927 62 N HA 0.004 4.747 4.740 0.005 0.000 0.248 62 N C -0.026 175.449 175.510 -0.057 0.000 1.443 62 N CA -0.897 52.121 53.050 -0.053 0.000 0.870 62 N CB 0.773 39.262 38.487 0.003 0.000 1.444 62 N HN 0.649 nan 8.380 nan 0.000 0.519 63 E N 0.107 120.286 120.200 -0.036 0.000 2.118 63 E HA -0.292 4.061 4.350 0.005 0.000 0.195 63 E C 1.115 177.655 176.600 -0.100 0.000 0.992 63 E CA 1.440 57.811 56.400 -0.048 0.000 0.804 63 E CB 0.045 29.739 29.700 -0.011 0.000 0.741 63 E HN 0.491 nan 8.360 nan 0.000 0.458 64 K N 0.954 121.266 120.400 -0.147 0.000 2.031 64 K HA -0.042 4.281 4.320 0.005 0.000 0.205 64 K C 2.150 178.615 176.600 -0.225 0.000 1.049 64 K CA 1.393 57.505 56.287 -0.291 0.000 0.939 64 K CB -0.512 31.662 32.500 -0.543 0.000 0.717 64 K HN 0.267 nan 8.250 nan 0.000 0.438 65 L N 1.073 122.184 121.223 -0.187 0.000 2.042 65 L HA -0.237 4.106 4.340 0.005 0.000 0.210 65 L C 1.808 178.579 176.870 -0.166 0.000 1.076 65 L CA 1.455 56.155 54.840 -0.233 0.000 0.749 65 L CB -0.626 41.285 42.059 -0.246 0.000 0.893 65 L HN 0.285 nan 8.230 nan 0.000 0.432 66 N N -0.552 118.074 118.700 -0.123 0.000 2.244 66 N HA -0.143 4.600 4.740 0.005 0.000 0.183 66 N C 2.016 177.473 175.510 -0.088 0.000 1.016 66 N CA 1.538 54.533 53.050 -0.092 0.000 0.866 66 N CB -0.430 38.016 38.487 -0.069 0.000 0.980 66 N HN 0.351 nan 8.380 nan 0.000 0.430 67 S N 0.513 116.151 115.700 -0.104 0.000 2.515 67 S HA 0.056 4.529 4.470 0.005 0.000 0.231 67 S C 1.713 176.254 174.600 -0.098 0.000 0.987 67 S CA 0.227 58.371 58.200 -0.094 0.000 0.936 67 S CB -0.419 62.723 63.200 -0.097 0.000 0.766 67 S HN 0.230 nan 8.310 nan 0.000 0.528 68 L N 0.698 121.850 121.223 -0.117 0.000 2.554 68 L HA 0.224 4.567 4.340 0.005 0.000 0.226 68 L C 2.554 179.380 176.870 -0.074 0.000 1.137 68 L CA 0.480 55.258 54.840 -0.102 0.000 0.863 68 L CB -0.383 41.602 42.059 -0.124 0.000 0.985 68 L HN 0.251 nan 8.230 nan 0.000 0.451 69 E N 0.965 121.125 120.200 -0.067 0.000 2.209 69 E HA -0.240 4.113 4.350 0.005 0.000 0.196 69 E C 1.707 178.286 176.600 -0.034 0.000 0.993 69 E CA 1.359 57.732 56.400 -0.046 0.000 0.819 69 E CB -0.064 29.610 29.700 -0.043 0.000 0.745 69 E HN 0.579 nan 8.360 nan 0.000 0.477 70 D N -0.571 119.807 120.400 -0.035 0.000 2.178 70 D HA -0.149 4.494 4.640 0.005 0.000 0.201 70 D C 1.719 178.004 176.300 -0.024 0.000 0.980 70 D CA 1.647 55.630 54.000 -0.027 0.000 0.842 70 D CB -0.459 40.323 40.800 -0.029 0.000 0.948 70 D HN 0.312 nan 8.370 nan 0.000 0.472 71 V N -3.143 116.754 119.914 -0.027 0.000 3.644 71 V HA 0.286 4.409 4.120 0.005 0.000 0.267 71 V C 1.050 177.136 176.094 -0.014 0.000 1.277 71 V CA -0.583 61.706 62.300 -0.018 0.000 1.096 71 V CB -0.638 31.175 31.823 -0.017 0.000 0.828 71 V HN -0.164 nan 8.190 nan 0.000 0.446 72 R N 1.873 122.362 120.500 -0.018 0.000 2.679 72 R HA 0.359 4.702 4.340 0.005 0.000 0.268 72 R C -0.012 176.284 176.300 -0.007 0.000 1.044 72 R CA 0.277 56.373 56.100 -0.007 0.000 1.105 72 R CB 0.476 30.771 30.300 -0.007 0.000 0.989 72 R HN 0.411 nan 8.270 nan 0.000 0.447 73 K N 0.875 121.275 120.400 0.000 0.000 2.378 73 K HA 0.343 4.666 4.320 0.005 0.000 0.252 73 K C -0.189 176.416 176.600 0.007 0.000 0.931 73 K CA -0.531 55.743 56.287 -0.021 0.000 0.794 73 K CB 1.893 34.369 32.500 -0.040 0.000 1.181 73 K HN 0.718 nan 8.250 nan 0.000 0.425 74 G N 0.442 109.252 108.800 0.017 0.000 2.531 74 G HA2 0.283 4.246 3.960 0.005 0.000 0.253 74 G HA3 0.283 4.246 3.960 0.005 0.000 0.253 74 G C 0.313 175.284 174.900 0.118 0.000 1.439 74 G CA 0.353 45.516 45.100 0.106 0.000 1.056 74 G HN 0.738 nan 8.290 nan 0.000 0.555 75 S N -2.704 113.153 115.700 0.261 0.000 2.138 75 S HA 0.061 4.534 4.470 0.005 0.000 0.214 75 S C 0.147 174.923 174.600 0.295 0.000 0.829 75 S CA -0.145 58.214 58.200 0.264 0.000 1.385 75 S CB -0.054 63.224 63.200 0.131 0.000 0.905 75 S HN 0.510 nan 8.310 nan 0.000 0.374 76 E N 3.282 123.590 120.200 0.179 0.000 2.480 76 E HA 0.287 4.640 4.350 0.005 0.000 0.258 76 E C -0.231 176.326 176.600 -0.072 0.000 0.984 76 E CA 0.300 56.738 56.400 0.064 0.000 0.930 76 E CB -0.034 29.690 29.700 0.040 0.000 0.936 76 E HN 0.398 nan 8.360 nan 0.000 0.466 77 N N 0.947 119.595 118.700 -0.088 0.000 2.850 77 N HA -0.201 4.542 4.740 0.005 0.000 0.249 77 N C -1.172 174.169 175.510 -0.281 0.000 1.060 77 N CA 0.965 53.901 53.050 -0.191 0.000 0.825 77 N CB -1.210 37.119 38.487 -0.263 0.000 1.132 77 N HN 0.385 nan 8.380 nan 0.000 0.564 78 Y N 0.616 120.921 120.300 0.009 0.000 2.496 78 Y HA 0.649 5.202 4.550 0.005 0.000 0.331 78 Y C 0.850 176.753 175.900 0.005 0.000 1.140 78 Y CA -0.420 57.684 58.100 0.007 0.000 1.166 78 Y CB 1.094 39.559 38.460 0.008 0.000 1.249 78 Y HN 0.113 nan 8.280 nan 0.000 0.479 79 A N 2.044 124.984 122.820 0.201 0.000 2.351 79 A HA 0.438 4.761 4.320 0.005 0.000 0.257 79 A C -0.894 176.740 177.584 0.083 0.000 1.087 79 A CA -0.540 51.560 52.037 0.105 0.000 0.798 79 A CB 0.147 19.194 19.000 0.080 0.000 1.033 79 A HN 0.695 nan 8.150 nan 0.000 0.488 80 L N 2.749 124.001 121.223 0.048 0.000 2.361 80 L HA 0.493 4.836 4.340 0.005 0.000 0.278 80 L C 0.612 177.491 176.870 0.015 0.000 1.113 80 L CA 1.050 55.904 54.840 0.024 0.000 0.849 80 L CB 0.131 42.195 42.059 0.009 0.000 1.155 80 L HN 0.894 nan 8.230 nan 0.000 0.452 81 T N 0.599 115.156 114.554 0.006 0.000 2.887 81 T HA 0.696 5.049 4.350 0.005 0.000 0.292 81 T C 0.239 174.938 174.700 -0.001 0.000 1.087 81 T CA -0.147 61.958 62.100 0.008 0.000 1.009 81 T CB 1.128 70.004 68.868 0.014 0.000 1.203 81 T HN 0.771 nan 8.240 nan 0.000 0.518 82 T N 0.196 114.761 114.554 0.019 0.000 2.754 82 T HA 0.255 4.608 4.350 0.005 0.000 0.286 82 T C 1.063 175.776 174.700 0.022 0.000 0.997 82 T CA -0.589 61.528 62.100 0.028 0.000 0.982 82 T CB -0.010 68.912 68.868 0.091 0.000 1.027 82 T HN 0.559 nan 8.240 nan 0.000 0.529 83 N N 0.522 119.235 118.700 0.022 0.000 2.520 83 N HA -0.069 4.674 4.740 0.005 0.000 0.185 83 N C 1.543 177.071 175.510 0.030 0.000 1.068 83 N CA 0.557 53.615 53.050 0.013 0.000 0.911 83 N CB -0.182 38.319 38.487 0.024 0.000 0.961 83 N HN 0.548 nan 8.380 nan 0.000 0.446 84 Q N -0.512 119.319 119.800 0.052 0.000 2.403 84 Q HA 0.181 4.525 4.340 0.005 0.000 0.203 84 Q C 0.807 176.830 176.000 0.038 0.000 0.932 84 Q CA 0.192 56.023 55.803 0.047 0.000 0.945 84 Q CB 0.274 29.049 28.738 0.063 0.000 1.045 84 Q HN 0.381 nan 8.270 nan 0.000 0.511 85 G N 0.489 109.309 108.800 0.034 0.000 2.137 85 G HA2 -0.224 3.739 3.960 0.005 0.000 0.237 85 G HA3 -0.224 3.739 3.960 0.005 0.000 0.237 85 G C -0.083 174.842 174.900 0.042 0.000 1.002 85 G CA 0.129 45.244 45.100 0.025 0.000 0.702 85 G HN 0.208 nan 8.290 nan 0.000 0.515 86 V N 1.303 121.257 119.914 0.065 0.000 2.383 86 V HA 0.405 4.528 4.120 0.005 0.000 0.275 86 V C 1.146 177.277 176.094 0.062 0.000 1.036 86 V CA -0.736 61.615 62.300 0.085 0.000 0.889 86 V CB 1.149 33.067 31.823 0.157 0.000 0.985 86 V HN 0.422 nan 8.190 nan 0.000 0.459 87 R N 4.665 125.195 120.500 0.050 0.000 2.489 87 R HA 0.373 4.716 4.340 0.005 0.000 0.287 87 R C -0.511 175.801 176.300 0.019 0.000 1.053 87 R CA -0.051 56.069 56.100 0.033 0.000 1.036 87 R CB 0.527 30.847 30.300 0.034 0.000 0.966 87 R HN 0.575 nan 8.270 nan 0.000 0.432 88 I N 2.315 122.886 120.570 0.000 0.000 2.365 88 I HA 0.092 4.265 4.170 0.005 0.000 0.291 88 I C 1.079 177.185 176.117 -0.018 0.000 1.004 88 I CA 0.090 61.375 61.300 -0.025 0.000 1.311 88 I CB 1.798 39.772 38.000 -0.044 0.000 1.401 88 I HN 0.787 nan 8.210 nan 0.000 0.491 89 A N 4.219 127.026 122.820 -0.022 0.000 1.903 89 A HA -0.013 4.310 4.320 0.005 0.000 0.213 89 A C 0.682 178.252 177.584 -0.024 0.000 1.185 89 A CA 1.010 53.038 52.037 -0.016 0.000 0.628 89 A CB 0.018 19.012 19.000 -0.010 0.000 0.830 89 A HN 0.692 nan 8.150 nan 0.000 0.446 90 D N -0.769 119.609 120.400 -0.037 0.000 2.473 90 D HA 0.354 4.997 4.640 0.005 0.000 0.253 90 D C -1.476 174.793 176.300 -0.052 0.000 1.233 90 D CA -0.398 53.578 54.000 -0.039 0.000 0.908 90 D CB 1.321 42.099 40.800 -0.036 0.000 1.170 90 D HN 0.030 nan 8.370 nan 0.000 0.558 91 D N 2.246 122.618 120.400 -0.047 0.000 2.491 91 D HA 0.089 4.732 4.640 0.005 0.000 0.228 91 D C 0.394 176.663 176.300 -0.053 0.000 1.183 91 D CA 0.175 54.143 54.000 -0.054 0.000 0.827 91 D CB 0.488 41.260 40.800 -0.046 0.000 0.989 91 D HN 0.237 nan 8.370 nan 0.000 0.494 92 Q N -0.684 119.086 119.800 -0.049 0.000 2.214 92 Q HA 0.283 4.626 4.340 0.005 0.000 0.229 92 Q C -0.203 175.768 176.000 -0.049 0.000 0.835 92 Q CA 0.101 55.876 55.803 -0.047 0.000 0.953 92 Q CB 0.911 29.626 28.738 -0.038 0.000 1.131 92 Q HN 0.170 nan 8.270 nan 0.000 0.501 93 N N 0.196 118.865 118.700 -0.052 0.000 2.277 93 N HA 0.334 5.077 4.740 0.005 0.000 0.286 93 N C -0.927 174.549 175.510 -0.056 0.000 1.140 93 N CA -0.232 52.789 53.050 -0.049 0.000 0.799 93 N CB 2.113 40.576 38.487 -0.039 0.000 1.596 93 N HN -0.160 nan 8.380 nan 0.000 0.473 94 S N 0.575 116.245 115.700 -0.051 0.000 2.645 94 S HA 0.353 4.826 4.470 0.005 0.000 0.266 94 S C 0.094 174.668 174.600 -0.042 0.000 1.258 94 S CA -0.618 57.551 58.200 -0.052 0.000 0.990 94 S CB 0.832 64.007 63.200 -0.041 0.000 0.967 94 S HN 0.417 nan 8.310 nan 0.000 0.556 95 L N 2.541 123.741 121.223 -0.039 0.000 2.290 95 L HA 0.449 4.792 4.340 0.005 0.000 0.284 95 L C 0.037 176.900 176.870 -0.012 0.000 1.078 95 L CA 0.241 55.067 54.840 -0.024 0.000 0.815 95 L CB -0.103 41.946 42.059 -0.017 0.000 1.162 95 L HN 0.764 nan 8.230 nan 0.000 0.435 96 R N 4.134 124.629 120.500 -0.009 0.000 2.808 96 R HA 0.874 5.217 4.340 0.005 0.000 0.272 96 R C -1.186 175.113 176.300 -0.001 0.000 0.995 96 R CA -0.870 55.227 56.100 -0.005 0.000 0.917 96 R CB 1.190 31.484 30.300 -0.009 0.000 1.217 96 R HN 0.574 nan 8.270 nan 0.000 0.471 97 A N 1.382 124.203 122.820 0.001 0.000 2.666 97 A HA 0.594 4.917 4.320 0.005 0.000 0.312 97 A C 0.583 178.167 177.584 0.000 0.000 1.471 97 A CA 0.275 52.314 52.037 0.003 0.000 1.134 97 A CB -0.857 18.146 19.000 0.005 0.000 1.129 97 A HN 1.280 nan 8.150 nan 0.000 0.539 98 G N 1.211 110.011 108.800 -0.001 0.000 2.719 98 G HA2 0.053 4.016 3.960 0.005 0.000 0.686 98 G HA3 0.053 4.016 3.960 0.005 0.000 0.686 98 G C 0.593 175.491 174.900 -0.005 0.000 1.201 98 G CA 0.063 45.162 45.100 -0.002 0.000 0.768 98 G HN 1.824 nan 8.290 nan 0.000 0.629 99 S N 0.001 115.698 115.700 -0.006 0.000 2.555 99 S HA 0.042 4.515 4.470 0.005 0.000 0.230 99 S C 1.543 176.137 174.600 -0.009 0.000 0.978 99 S CA 1.306 59.501 58.200 -0.009 0.000 0.934 99 S CB 0.136 63.331 63.200 -0.009 0.000 0.766 99 S HN 0.725 nan 8.310 nan 0.000 0.533 100 R N 0.554 121.050 120.500 -0.007 0.000 2.543 100 R HA 0.307 4.650 4.340 0.005 0.000 0.323 100 R C 0.955 177.252 176.300 -0.006 0.000 1.002 100 R CA 0.047 56.142 56.100 -0.007 0.000 1.106 100 R CB 0.779 31.076 30.300 -0.006 0.000 1.280 100 R HN 0.450 nan 8.270 nan 0.000 0.549 101 G N 1.815 110.612 108.800 -0.005 0.000 2.557 101 G HA2 0.285 4.248 3.960 0.005 0.000 0.292 101 G HA3 0.285 4.248 3.960 0.005 0.000 0.292 101 G C -2.311 172.586 174.900 -0.004 0.000 1.237 101 G CA -0.959 44.139 45.100 -0.003 0.000 0.978 101 G HN -0.090 nan 8.290 nan 0.000 0.498 102 P HA 0.168 nan 4.420 nan 0.000 0.271 102 P C -0.079 177.221 177.300 -0.001 0.000 1.218 102 P CA -0.020 63.080 63.100 -0.001 0.000 0.780 102 P CB 0.659 32.360 31.700 0.002 0.000 0.901 103 T N 3.126 117.679 114.554 -0.002 0.000 2.919 103 T HA 0.240 4.593 4.350 0.005 0.000 0.302 103 T C 0.538 175.241 174.700 0.006 0.000 1.031 103 T CA -0.134 61.965 62.100 -0.002 0.000 1.127 103 T CB 0.049 68.914 68.868 -0.006 0.000 0.952 103 T HN 0.203 nan 8.240 nan 0.000 0.540 104 L N 3.412 124.640 121.223 0.009 0.000 2.325 104 L HA 0.316 4.659 4.340 0.005 0.000 0.279 104 L C 1.362 178.249 176.870 0.028 0.000 1.054 104 L CA -0.759 54.092 54.840 0.019 0.000 0.804 104 L CB 1.031 43.102 42.059 0.022 0.000 1.200 104 L HN 0.527 nan 8.230 nan 0.000 0.436 105 L N 2.261 123.504 121.223 0.034 0.000 2.201 105 L HA -0.169 4.174 4.340 0.005 0.000 0.212 105 L C 2.314 179.224 176.870 0.067 0.000 1.105 105 L CA 1.537 56.404 54.840 0.044 0.000 0.775 105 L CB -0.512 41.570 42.059 0.038 0.000 0.913 105 L HN 0.777 nan 8.230 nan 0.000 0.440 106 E N -1.553 118.690 120.200 0.072 0.000 2.515 106 E HA -0.192 4.162 4.350 0.005 0.000 0.201 106 E C 0.226 176.926 176.600 0.167 0.000 1.071 106 E CA 0.296 56.765 56.400 0.115 0.000 0.880 106 E CB -0.511 29.248 29.700 0.098 0.000 0.828 106 E HN 0.363 nan 8.360 nan 0.000 0.540 107 D N 1.104 121.559 120.400 0.092 0.000 2.455 107 D HA -0.042 4.601 4.640 0.005 0.000 0.234 107 D C 0.453 176.775 176.300 0.036 0.000 1.224 107 D CA -0.417 53.597 54.000 0.024 0.000 0.999 107 D CB -0.097 40.685 40.800 -0.031 0.000 1.072 107 D HN 0.296 nan 8.370 nan 0.000 0.514 108 F N 2.304 122.262 119.950 0.013 0.000 2.367 108 F HA 0.065 4.595 4.527 0.005 0.000 0.298 108 F C 1.658 177.470 175.800 0.020 0.000 1.094 108 F CA 0.209 58.220 58.000 0.018 0.000 1.409 108 F CB -0.640 38.370 39.000 0.017 0.000 1.064 108 F HN 0.179 nan 8.300 nan 0.000 0.528 109 I N 0.573 120.682 120.570 -0.769 0.000 2.252 109 I HA -0.209 3.964 4.170 0.005 0.000 0.245 109 I C 2.494 178.487 176.117 -0.206 0.000 1.102 109 I CA 1.219 62.216 61.300 -0.504 0.000 1.385 109 I CB -0.592 37.065 38.000 -0.572 0.000 1.064 109 I HN 0.301 nan 8.210 nan 0.000 0.414 110 L N 1.152 122.278 121.223 -0.163 0.000 2.017 110 L HA -0.175 4.168 4.340 0.005 0.000 0.208 110 L C 2.671 179.526 176.870 -0.025 0.000 1.073 110 L CA 1.805 56.596 54.840 -0.082 0.000 0.745 110 L CB -0.551 41.467 42.059 -0.067 0.000 0.894 110 L HN 0.039 nan 8.230 nan 0.000 0.432 111 R N -0.502 120.002 120.500 0.006 0.000 2.081 111 R HA -0.179 4.164 4.340 0.005 0.000 0.235 111 R C 2.323 178.675 176.300 0.087 0.000 1.131 111 R CA 1.591 57.725 56.100 0.057 0.000 0.960 111 R CB -0.446 29.902 30.300 0.080 0.000 0.856 111 R HN 0.585 nan 8.270 nan 0.000 0.436 112 E N 1.176 121.429 120.200 0.087 0.000 2.051 112 E HA -0.239 4.114 4.350 0.005 0.000 0.192 112 E C 1.952 178.623 176.600 0.118 0.000 0.991 112 E CA 1.286 57.755 56.400 0.116 0.000 0.799 112 E CB 0.102 29.872 29.700 0.116 0.000 0.748 112 E HN 0.156 nan 8.360 nan 0.000 0.449 113 K N 0.188 120.625 120.400 0.061 0.000 2.057 113 K HA -0.120 4.203 4.320 0.005 0.000 0.206 113 K C 2.103 178.769 176.600 0.110 0.000 1.050 113 K CA 1.151 57.475 56.287 0.062 0.000 0.935 113 K CB 0.027 32.520 32.500 -0.011 0.000 0.715 113 K HN 0.133 nan 8.250 nan 0.000 0.439 114 I N 1.203 121.821 120.570 0.079 0.000 2.353 114 I HA -0.165 4.008 4.170 0.005 0.000 0.248 114 I C 2.098 178.327 176.117 0.187 0.000 1.119 114 I CA 1.233 62.600 61.300 0.112 0.000 1.417 114 I CB -1.492 36.535 38.000 0.044 0.000 1.078 114 I HN 0.199 nan 8.210 nan 0.000 0.421 115 T N -0.004 114.656 114.554 0.175 0.000 2.652 115 T HA -0.237 4.116 4.350 0.005 0.000 0.267 115 T C 1.966 176.827 174.700 0.268 0.000 1.039 115 T CA 1.595 63.830 62.100 0.226 0.000 1.153 115 T CB -0.492 68.517 68.868 0.235 0.000 0.863 115 T HN 0.342 nan 8.240 nan 0.000 0.428 116 H N -0.043 119.132 119.070 0.176 0.000 2.319 116 H HA -0.106 4.453 4.556 0.005 0.000 0.299 116 H C 2.228 177.626 175.328 0.117 0.000 1.092 116 H CA 1.879 58.012 56.048 0.142 0.000 1.302 116 H CB -0.520 29.302 29.762 0.099 0.000 1.373 116 H HN 0.390 nan 8.280 nan 0.000 0.497 117 F N 2.079 122.104 119.950 0.126 0.000 2.095 117 F HA -0.226 4.304 4.527 0.005 0.000 0.298 117 F C 2.073 177.832 175.800 -0.069 0.000 1.104 117 F CA 1.937 59.954 58.000 0.029 0.000 1.232 117 F CB -0.343 38.662 39.000 0.009 0.000 0.987 117 F HN 0.100 nan 8.300 nan 0.000 0.475 118 D N -1.127 119.228 120.400 -0.076 0.000 2.178 118 D HA -0.159 4.484 4.640 0.005 0.000 0.201 118 D C 1.480 177.447 176.300 -0.554 0.000 0.980 118 D CA 1.310 55.102 54.000 -0.348 0.000 0.842 118 D CB -0.495 40.057 40.800 -0.414 0.000 0.948 118 D HN 0.497 nan 8.370 nan 0.000 0.472 119 H N 0.203 119.173 119.070 -0.167 0.000 2.507 119 H HA 0.202 4.761 4.556 0.005 0.000 0.294 119 H C 1.139 176.309 175.328 -0.264 0.000 1.064 119 H CA -0.029 55.906 56.048 -0.189 0.000 1.138 119 H CB 0.389 30.055 29.762 -0.160 0.000 1.515 119 H HN 0.317 nan 8.280 nan 0.000 0.547 120 E N 0.797 120.838 120.200 -0.265 0.000 2.110 120 E HA -0.077 4.276 4.350 0.005 0.000 0.193 120 E C 0.555 176.999 176.600 -0.260 0.000 0.988 120 E CA 0.688 56.901 56.400 -0.312 0.000 0.804 120 E CB 0.371 29.860 29.700 -0.352 0.000 0.745 120 E HN 0.227 nan 8.360 nan 0.000 0.458 121 R N 1.076 121.482 120.500 -0.156 0.000 2.459 121 R HA 0.395 4.738 4.340 0.005 0.000 0.281 121 R C 0.470 176.802 176.300 0.053 0.000 1.050 121 R CA -0.298 55.781 56.100 -0.035 0.000 1.055 121 R CB 0.800 31.077 30.300 -0.039 0.000 1.045 121 R HN 0.142 nan 8.270 nan 0.000 0.495 122 I N -1.338 119.323 120.570 0.152 0.000 2.957 122 I HA 0.575 4.748 4.170 0.005 0.000 0.310 122 I C -2.312 173.862 176.117 0.095 0.000 1.063 122 I CA -2.983 58.397 61.300 0.134 0.000 1.033 122 I CB 1.983 40.093 38.000 0.183 0.000 1.230 122 I HN 0.248 nan 8.210 nan 0.000 0.447 123 P HA 0.150 nan 4.420 nan 0.000 0.271 123 P C -0.825 176.500 177.300 0.042 0.000 1.220 123 P CA -0.075 63.048 63.100 0.038 0.000 0.768 123 P CB 0.467 32.178 31.700 0.018 0.000 0.848 124 E N 2.938 123.167 120.200 0.047 0.000 2.391 124 E HA 0.149 4.503 4.350 0.005 0.000 0.255 124 E C -0.416 176.206 176.600 0.038 0.000 1.187 124 E CA -0.789 55.644 56.400 0.056 0.000 0.941 124 E CB 0.545 30.283 29.700 0.063 0.000 1.010 124 E HN 0.262 nan 8.360 nan 0.000 0.458 125 R N 0.564 121.093 120.500 0.048 0.000 2.623 125 R HA 0.004 4.347 4.340 0.005 0.000 0.271 125 R C 1.150 177.476 176.300 0.043 0.000 1.043 125 R CA 0.024 56.147 56.100 0.039 0.000 1.083 125 R CB 0.198 30.542 30.300 0.073 0.000 0.974 125 R HN 0.647 nan 8.270 nan 0.000 0.436 126 I N 3.247 123.833 120.570 0.027 0.000 2.208 126 I HA -0.212 3.961 4.170 0.005 0.000 0.245 126 I C 0.366 176.524 176.117 0.068 0.000 1.097 126 I CA 1.475 62.799 61.300 0.040 0.000 1.363 126 I CB 0.379 38.401 38.000 0.035 0.000 1.051 126 I HN 0.391 nan 8.210 nan 0.000 0.413 127 V N -3.020 116.964 119.914 0.116 0.000 2.962 127 V HA 0.473 4.596 4.120 0.005 0.000 0.313 127 V C -0.069 176.180 176.094 0.258 0.000 1.099 127 V CA -0.800 61.598 62.300 0.163 0.000 0.971 127 V CB 1.422 33.419 31.823 0.290 0.000 1.028 127 V HN 0.408 nan 8.190 nan 0.000 0.430 128 H N 0.745 119.877 119.070 0.102 0.000 2.839 128 H HA -0.203 4.356 4.556 0.005 0.000 0.298 128 H C 1.411 176.786 175.328 0.078 0.000 1.224 128 H CA 0.780 56.884 56.048 0.093 0.000 1.144 128 H CB -1.161 28.650 29.762 0.081 0.000 1.372 128 H HN 1.163 nan 8.280 nan 0.000 0.408 129 A N 0.699 123.606 122.820 0.144 0.000 1.968 129 A HA -0.052 4.271 4.320 0.005 0.000 0.217 129 A C 1.681 179.353 177.584 0.147 0.000 1.169 129 A CA 1.120 53.231 52.037 0.124 0.000 0.638 129 A CB 0.043 19.094 19.000 0.086 0.000 0.812 129 A HN 0.250 nan 8.150 nan 0.000 0.446 130 R N 0.297 120.884 120.500 0.144 0.000 2.204 130 R HA 0.514 4.857 4.340 0.005 0.000 0.341 130 R C -0.168 176.258 176.300 0.210 0.000 1.035 130 R CA 0.699 56.904 56.100 0.175 0.000 0.887 130 R CB 0.152 30.540 30.300 0.146 0.000 1.114 130 R HN 0.319 nan 8.270 nan 0.000 0.473 131 G N 0.741 109.686 108.800 0.242 0.000 2.677 131 G HA2 0.494 4.457 3.960 0.005 0.000 0.291 131 G HA3 0.494 4.457 3.960 0.005 0.000 0.291 131 G C -1.579 173.473 174.900 0.253 0.000 1.435 131 G CA -0.616 44.603 45.100 0.198 0.000 0.826 131 G HN 0.451 nan 8.290 nan 0.000 0.491 132 S N -0.938 114.870 115.700 0.179 0.000 2.532 132 S HA 0.864 5.337 4.470 0.005 0.000 0.299 132 S C -0.163 174.447 174.600 0.018 0.000 1.105 132 S CA -0.210 58.136 58.200 0.243 0.000 1.018 132 S CB 1.663 65.135 63.200 0.452 0.000 1.021 132 S HN 1.482 nan 8.310 nan 0.000 0.483 133 A N 1.804 124.586 122.820 -0.064 0.000 2.454 133 A HA 0.992 5.315 4.320 0.005 0.000 0.302 133 A C -0.850 176.552 177.584 -0.303 0.000 1.079 133 A CA -0.756 51.052 52.037 -0.383 0.000 0.731 133 A CB 1.573 20.143 19.000 -0.716 0.000 1.299 133 A HN 1.161 nan 8.150 nan 0.000 0.413 134 A N 0.998 123.533 122.820 -0.474 0.000 2.539 134 A HA 0.753 5.076 4.320 0.005 0.000 0.296 134 A C -0.871 176.572 177.584 -0.235 0.000 1.073 134 A CA -0.622 51.277 52.037 -0.229 0.000 0.700 134 A CB 0.842 19.773 19.000 -0.115 0.000 1.296 134 A HN 0.890 nan 8.150 nan 0.000 0.405 135 H N -0.218 118.870 119.070 0.031 0.000 2.505 135 H HA 0.625 5.184 4.556 0.005 0.000 0.351 135 H C 0.605 175.933 175.328 0.001 0.000 1.151 135 H CA 0.877 57.007 56.048 0.136 0.000 1.339 135 H CB 1.842 31.689 29.762 0.142 0.000 1.483 135 H HN 1.034 nan 8.280 nan 0.000 0.558 136 G N 0.781 109.672 108.800 0.152 0.000 2.664 136 G HA2 0.395 4.358 3.960 0.005 0.000 0.303 136 G HA3 0.395 4.358 3.960 0.005 0.000 0.303 136 G C -1.990 173.038 174.900 0.214 0.000 1.243 136 G CA -0.681 44.467 45.100 0.080 0.000 0.826 136 G HN 0.634 nan 8.290 nan 0.000 0.498 137 Y N -1.918 118.421 120.300 0.066 0.000 2.597 137 Y HA 0.830 5.383 4.550 0.005 0.000 0.340 137 Y C -1.794 174.244 175.900 0.231 0.000 1.097 137 Y CA -1.904 56.279 58.100 0.139 0.000 1.037 137 Y CB 1.952 40.471 38.460 0.098 0.000 1.305 137 Y HN 0.747 nan 8.280 nan 0.000 0.463 138 F N 1.699 121.814 119.950 0.274 0.000 2.563 138 F HA 0.739 5.269 4.527 0.005 0.000 0.316 138 F C -1.352 174.667 175.800 0.365 0.000 1.076 138 F CA -0.601 57.564 58.000 0.276 0.000 0.921 138 F CB 2.371 41.637 39.000 0.443 0.000 1.209 138 F HN 0.737 nan 8.300 nan 0.000 0.462 139 Q N 5.675 124.918 119.800 -0.928 0.000 2.320 139 Q HA 0.374 4.717 4.340 0.005 0.000 0.272 139 Q C -2.752 172.656 176.000 -0.987 0.000 1.023 139 Q CA -2.174 53.233 55.803 -0.661 0.000 0.855 139 Q CB 3.251 31.919 28.738 -0.117 0.000 1.367 139 Q HN 0.325 nan 8.270 nan 0.000 0.406 140 P HA 0.057 nan 4.420 nan 0.000 0.277 140 P C -0.412 176.854 177.300 -0.057 0.000 1.240 140 P CA 0.054 62.979 63.100 -0.292 0.000 0.798 140 P CB 0.640 32.310 31.700 -0.049 0.000 0.979 141 Y N 0.683 120.940 120.300 -0.072 0.000 2.457 141 Y HA -0.038 4.515 4.550 0.005 0.000 0.292 141 Y C 1.401 177.284 175.900 -0.029 0.000 1.125 141 Y CA 0.181 58.256 58.100 -0.042 0.000 1.254 141 Y CB 0.375 38.815 38.460 -0.032 0.000 1.012 141 Y HN 0.399 nan 8.280 nan 0.000 0.555 142 K N -1.289 119.186 120.400 0.126 0.000 2.685 142 K HA 0.214 4.537 4.320 0.005 0.000 0.290 142 K C -1.180 175.438 176.600 0.031 0.000 1.018 142 K CA -0.820 55.507 56.287 0.067 0.000 0.860 142 K CB 1.070 33.608 32.500 0.064 0.000 1.498 142 K HN -0.257 nan 8.250 nan 0.000 0.390 143 S N 0.961 116.674 115.700 0.020 0.000 2.516 143 S HA 0.184 4.658 4.470 0.005 0.000 0.282 143 S C 0.348 174.947 174.600 -0.002 0.000 1.286 143 S CA -0.568 57.634 58.200 0.004 0.000 1.066 143 S CB -0.206 62.997 63.200 0.005 0.000 0.884 143 S HN 0.507 nan 8.310 nan 0.000 0.491 144 L N 4.856 126.068 121.223 -0.018 0.000 2.872 144 L HA 0.150 4.493 4.340 0.005 0.000 0.245 144 L C 2.037 178.891 176.870 -0.025 0.000 1.211 144 L CA -0.061 54.772 54.840 -0.011 0.000 1.013 144 L CB -0.066 41.995 42.059 0.004 0.000 1.326 144 L HN 0.833 nan 8.230 nan 0.000 0.525 145 S N -1.813 113.869 115.700 -0.029 0.000 2.469 145 S HA -0.176 4.297 4.470 0.005 0.000 0.238 145 S C 1.316 175.895 174.600 -0.035 0.000 0.998 145 S CA 1.048 59.226 58.200 -0.037 0.000 0.957 145 S CB -0.165 63.018 63.200 -0.029 0.000 0.764 145 S HN 0.386 nan 8.310 nan 0.000 0.514 146 D N 2.334 122.719 120.400 -0.024 0.000 2.144 146 D HA -0.035 4.608 4.640 0.005 0.000 0.199 146 D C 1.894 178.171 176.300 -0.039 0.000 0.984 146 D CA 1.606 55.590 54.000 -0.026 0.000 0.834 146 D CB -0.272 40.519 40.800 -0.015 0.000 0.955 146 D HN 0.791 nan 8.370 nan 0.000 0.465 147 I N -3.767 116.781 120.570 -0.037 0.000 3.708 147 I HA 0.197 4.370 4.170 0.005 0.000 0.302 147 I C 0.551 176.615 176.117 -0.089 0.000 1.255 147 I CA 0.125 61.390 61.300 -0.057 0.000 1.362 147 I CB 0.874 38.858 38.000 -0.027 0.000 1.100 147 I HN -0.214 nan 8.210 nan 0.000 0.434 148 T N 1.411 115.915 114.554 -0.084 0.000 2.932 148 T HA 0.315 4.668 4.350 0.005 0.000 0.318 148 T C -0.093 174.542 174.700 -0.108 0.000 1.265 148 T CA -0.758 61.270 62.100 -0.119 0.000 1.036 148 T CB 1.793 70.569 68.868 -0.154 0.000 1.209 148 T HN 0.420 nan 8.240 nan 0.000 0.484 149 K N 2.301 122.636 120.400 -0.109 0.000 2.437 149 K HA 0.571 4.894 4.320 0.005 0.000 0.198 149 K C 0.702 177.252 176.600 -0.083 0.000 1.024 149 K CA -0.362 55.875 56.287 -0.083 0.000 1.148 149 K CB 0.243 32.700 32.500 -0.071 0.000 0.860 149 K HN 0.504 nan 8.250 nan 0.000 0.515 150 A N 2.147 124.889 122.820 -0.131 0.000 2.522 150 A HA -0.053 4.270 4.320 0.005 0.000 0.256 150 A C 0.570 178.094 177.584 -0.100 0.000 1.086 150 A CA 0.068 52.029 52.037 -0.127 0.000 0.763 150 A CB 0.080 18.917 19.000 -0.272 0.000 1.024 150 A HN 0.452 nan 8.150 nan 0.000 0.502 151 D N 2.193 122.615 120.400 0.038 0.000 2.144 151 D HA -0.223 4.421 4.640 0.005 0.000 0.199 151 D C 1.347 177.721 176.300 0.123 0.000 0.984 151 D CA 2.248 56.294 54.000 0.076 0.000 0.834 151 D CB -0.241 40.630 40.800 0.118 0.000 0.955 151 D HN 0.729 nan 8.370 nan 0.000 0.465 152 F N -0.785 119.191 119.950 0.043 0.000 2.604 152 F HA 0.153 4.683 4.527 0.005 0.000 0.298 152 F C 1.255 177.150 175.800 0.158 0.000 1.131 152 F CA 0.351 58.423 58.000 0.118 0.000 1.457 152 F CB -0.320 38.754 39.000 0.124 0.000 1.095 152 F HN -0.071 nan 8.300 nan 0.000 0.574 153 L N 0.782 121.721 121.223 -0.473 0.000 2.640 153 L HA 0.138 4.481 4.340 0.005 0.000 0.230 153 L C 2.099 178.897 176.870 -0.119 0.000 1.123 153 L CA 0.403 55.041 54.840 -0.337 0.000 0.900 153 L CB -0.263 41.495 42.059 -0.502 0.000 1.146 153 L HN 0.318 nan 8.230 nan 0.000 0.484 154 S N -2.017 113.649 115.700 -0.057 0.000 2.527 154 S HA 0.004 4.478 4.470 0.005 0.000 0.222 154 S C 0.360 174.964 174.600 0.007 0.000 0.985 154 S CA 0.040 58.227 58.200 -0.021 0.000 0.921 154 S CB -0.046 63.152 63.200 -0.003 0.000 0.772 154 S HN 0.423 nan 8.310 nan 0.000 0.529 155 D N 0.158 120.573 120.400 0.026 0.000 2.836 155 D HA 0.308 4.951 4.640 0.005 0.000 0.215 155 D C -2.619 173.707 176.300 0.042 0.000 1.255 155 D CA -1.669 52.351 54.000 0.034 0.000 0.822 155 D CB 1.753 42.578 40.800 0.040 0.000 1.656 155 D HN -0.199 nan 8.370 nan 0.000 0.511 156 P HA -0.058 nan 4.420 nan 0.000 0.222 156 P C 0.256 177.583 177.300 0.045 0.000 1.147 156 P CA 0.961 64.087 63.100 0.043 0.000 0.790 156 P CB 0.160 31.893 31.700 0.055 0.000 0.780 157 N N -0.842 117.886 118.700 0.046 0.000 2.398 157 N HA 0.012 4.755 4.740 0.005 0.000 0.188 157 N C 0.585 176.133 175.510 0.064 0.000 1.122 157 N CA -0.069 53.010 53.050 0.048 0.000 0.866 157 N CB -0.113 38.396 38.487 0.037 0.000 0.970 157 N HN 0.088 nan 8.380 nan 0.000 0.462 158 K N 1.724 122.175 120.400 0.084 0.000 2.310 158 K HA 0.247 4.570 4.320 0.005 0.000 0.290 158 K C -0.819 175.880 176.600 0.165 0.000 1.077 158 K CA -0.065 56.297 56.287 0.125 0.000 0.922 158 K CB 0.400 32.988 32.500 0.147 0.000 1.057 158 K HN 0.040 nan 8.250 nan 0.000 0.479 159 I N 3.472 124.138 120.570 0.160 0.000 2.353 159 I HA 0.157 4.330 4.170 0.005 0.000 0.293 159 I C -0.162 176.127 176.117 0.287 0.000 0.992 159 I CA -0.431 60.993 61.300 0.207 0.000 1.268 159 I CB 1.931 39.999 38.000 0.112 0.000 1.387 159 I HN 0.502 nan 8.210 nan 0.000 0.478 160 T N 7.267 122.079 114.554 0.430 0.000 2.791 160 T HA 0.352 4.705 4.350 0.005 0.000 0.288 160 T C -2.501 172.456 174.700 0.428 0.000 0.999 160 T CA -1.472 60.898 62.100 0.451 0.000 0.952 160 T CB 1.379 70.609 68.868 0.602 0.000 0.938 160 T HN 0.241 nan 8.240 nan 0.000 0.444 161 P HA 0.235 nan 4.420 nan 0.000 0.267 161 P C -0.548 176.983 177.300 0.385 0.000 1.200 161 P CA -0.345 62.948 63.100 0.320 0.000 0.772 161 P CB 0.473 32.284 31.700 0.185 0.000 0.855 162 V N -0.382 119.701 119.914 0.281 0.000 3.130 162 V HA 0.733 4.856 4.120 0.005 0.000 0.310 162 V C -1.385 174.838 176.094 0.214 0.000 1.158 162 V CA -0.952 61.410 62.300 0.102 0.000 1.029 162 V CB 2.359 34.034 31.823 -0.247 0.000 1.057 162 V HN 0.312 nan 8.190 nan 0.000 0.436 163 F N 1.998 121.897 119.950 -0.084 0.000 2.553 163 F HA 0.819 5.349 4.527 0.005 0.000 0.335 163 F C -0.819 174.874 175.800 -0.177 0.000 1.148 163 F CA -0.783 57.119 58.000 -0.164 0.000 0.963 163 F CB 1.704 40.608 39.000 -0.160 0.000 1.217 163 F HN 0.524 nan 8.300 nan 0.000 0.441 164 V N 6.534 126.029 119.914 -0.698 0.000 2.547 164 V HA 0.596 4.720 4.120 0.005 0.000 0.299 164 V C -0.566 174.895 176.094 -1.054 0.000 1.040 164 V CA -0.810 60.995 62.300 -0.824 0.000 0.913 164 V CB 2.010 33.297 31.823 -0.894 0.000 0.992 164 V HN 0.710 nan 8.190 nan 0.000 0.449 165 R N 3.292 123.126 120.500 -1.111 0.000 2.513 165 R HA 0.589 4.932 4.340 0.005 0.000 0.301 165 R C -1.825 173.853 176.300 -1.036 0.000 0.968 165 R CA -0.433 55.120 56.100 -0.912 0.000 0.872 165 R CB 1.265 31.233 30.300 -0.554 0.000 1.177 165 R HN 0.546 nan 8.270 nan 0.000 0.444 166 F N 1.955 121.508 119.950 -0.661 0.000 2.458 166 F HA 0.555 5.085 4.527 0.005 0.000 0.330 166 F C 0.470 175.946 175.800 -0.540 0.000 1.082 166 F CA -0.194 57.298 58.000 -0.848 0.000 0.995 166 F CB 2.226 40.178 39.000 -1.747 0.000 1.170 166 F HN 0.644 nan 8.300 nan 0.000 0.478 167 S N -0.777 114.873 115.700 -0.083 0.000 2.643 167 S HA 0.704 5.177 4.470 0.005 0.000 0.270 167 S C -0.751 173.998 174.600 0.248 0.000 1.166 167 S CA -0.909 57.374 58.200 0.138 0.000 0.815 167 S CB 1.434 64.739 63.200 0.175 0.000 1.139 167 S HN 0.701 nan 8.310 nan 0.000 0.472 168 T N -1.629 113.057 114.554 0.220 0.000 2.923 168 T HA 0.705 5.058 4.350 0.005 0.000 0.281 168 T C 0.818 175.492 174.700 -0.043 0.000 0.995 168 T CA -0.477 61.713 62.100 0.149 0.000 0.985 168 T CB 1.014 69.971 68.868 0.149 0.000 1.114 168 T HN 0.527 nan 8.240 nan 0.000 0.548 169 V N 1.218 121.053 119.914 -0.130 0.000 2.521 169 V HA 0.001 4.124 4.120 0.005 0.000 0.239 169 V C 2.800 178.796 176.094 -0.163 0.000 1.053 169 V CA 1.486 63.565 62.300 -0.369 0.000 1.073 169 V CB -0.464 31.275 31.823 -0.141 0.000 0.746 169 V HN 1.003 nan 8.190 nan 0.000 0.476 170 Q N 1.882 121.635 119.800 -0.080 0.000 2.033 170 Q HA 0.141 4.484 4.340 0.005 0.000 0.196 170 Q C 1.463 177.435 176.000 -0.047 0.000 0.970 170 Q CA 1.712 57.471 55.803 -0.074 0.000 0.828 170 Q CB -1.122 27.555 28.738 -0.101 0.000 0.895 170 Q HN 0.455 nan 8.270 nan 0.000 0.440 171 G N 0.227 109.013 108.800 -0.023 0.000 2.664 171 G HA2 0.389 4.352 3.960 0.005 0.000 0.242 171 G HA3 0.389 4.352 3.960 0.005 0.000 0.242 171 G C 0.272 175.177 174.900 0.007 0.000 1.225 171 G CA -0.235 44.858 45.100 -0.011 0.000 0.849 171 G HN 0.523 nan 8.290 nan 0.000 0.581 172 G N -1.026 107.775 108.800 0.001 0.000 2.684 172 G HA2 0.477 4.440 3.960 0.005 0.000 0.255 172 G HA3 0.477 4.440 3.960 0.005 0.000 0.255 172 G C 1.357 176.284 174.900 0.045 0.000 1.219 172 G CA 0.467 45.577 45.100 0.017 0.000 0.901 172 G HN 1.125 nan 8.290 nan 0.000 0.548 173 A N -0.255 122.603 122.820 0.062 0.000 1.978 173 A HA 0.052 4.375 4.320 0.005 0.000 0.220 173 A C 2.393 180.012 177.584 0.060 0.000 1.170 173 A CA 2.184 54.276 52.037 0.090 0.000 0.636 173 A CB -0.564 18.502 19.000 0.111 0.000 0.810 173 A HN 1.102 nan 8.150 nan 0.000 0.448 174 G N -0.417 108.400 108.800 0.027 0.000 2.985 174 G HA2 0.259 4.222 3.960 0.005 0.000 0.209 174 G HA3 0.259 4.222 3.960 0.005 0.000 0.209 174 G C 0.919 175.821 174.900 0.003 0.000 1.165 174 G CA 0.739 45.842 45.100 0.004 0.000 0.776 174 G HN 0.699 nan 8.290 nan 0.000 0.541 175 S N 0.006 115.715 115.700 0.016 0.000 2.641 175 S HA 0.681 5.154 4.470 0.005 0.000 0.261 175 S C 0.487 175.102 174.600 0.026 0.000 1.257 175 S CA -0.119 58.088 58.200 0.011 0.000 0.983 175 S CB 1.295 64.501 63.200 0.009 0.000 0.990 175 S HN 0.545 nan 8.310 nan 0.000 0.572 176 A N 0.146 122.978 122.820 0.018 0.000 2.340 176 A HA 0.381 4.704 4.320 0.005 0.000 0.268 176 A C 0.674 178.285 177.584 0.044 0.000 1.100 176 A CA -0.578 51.468 52.037 0.015 0.000 0.803 176 A CB -0.122 18.869 19.000 -0.015 0.000 1.043 176 A HN 0.844 nan 8.150 nan 0.000 0.488 177 D N 0.741 121.161 120.400 0.033 0.000 2.137 177 D HA -0.080 4.563 4.640 0.005 0.000 0.202 177 D C 1.649 177.947 176.300 -0.005 0.000 0.970 177 D CA 2.225 56.264 54.000 0.065 0.000 0.837 177 D CB -0.275 40.548 40.800 0.038 0.000 0.981 177 D HN 0.695 nan 8.370 nan 0.000 0.475 178 T N -0.104 114.364 114.554 -0.143 0.000 3.393 178 T HA 0.258 4.611 4.350 0.005 0.000 0.248 178 T C 0.956 175.644 174.700 -0.020 0.000 0.992 178 T CA -0.524 61.483 62.100 -0.156 0.000 0.929 178 T CB -0.990 67.685 68.868 -0.321 0.000 1.065 178 T HN -0.069 nan 8.240 nan 0.000 0.597 179 V N -1.236 118.717 119.914 0.064 0.000 3.503 179 V HA 0.403 4.526 4.120 0.005 0.000 0.300 179 V C 0.727 176.961 176.094 0.234 0.000 1.099 179 V CA -1.364 61.021 62.300 0.142 0.000 1.117 179 V CB 0.255 32.150 31.823 0.119 0.000 1.122 179 V HN 0.556 nan 8.190 nan 0.000 0.476 180 R N 1.203 121.885 120.500 0.303 0.000 2.254 180 R HA 0.670 5.014 4.340 0.005 0.000 0.318 180 R C -0.357 176.022 176.300 0.133 0.000 1.031 180 R CA 0.527 56.764 56.100 0.229 0.000 0.905 180 R CB 0.592 30.960 30.300 0.114 0.000 1.050 180 R HN 1.303 nan 8.270 nan 0.000 0.456 181 A N 4.671 127.581 122.820 0.150 0.000 2.540 181 A HA 0.364 4.687 4.320 0.005 0.000 0.291 181 A C -1.525 176.171 177.584 0.186 0.000 1.083 181 A CA -0.862 51.255 52.037 0.133 0.000 0.650 181 A CB 0.915 19.992 19.000 0.128 0.000 1.292 181 A HN 0.517 nan 8.150 nan 0.000 0.435 182 I N 1.117 121.814 120.570 0.212 0.000 2.532 182 I HA 0.398 4.571 4.170 0.005 0.000 0.292 182 I C 0.111 176.373 176.117 0.242 0.000 1.014 182 I CA -0.289 61.148 61.300 0.228 0.000 1.340 182 I CB 0.936 39.088 38.000 0.253 0.000 1.422 182 I HN 0.532 nan 8.210 nan 0.000 0.528 183 R N 3.224 123.886 120.500 0.271 0.000 2.532 183 R HA 0.534 4.877 4.340 0.005 0.000 0.295 183 R C -0.006 176.489 176.300 0.326 0.000 0.968 183 R CA -0.699 55.579 56.100 0.296 0.000 0.916 183 R CB 1.387 31.878 30.300 0.319 0.000 1.124 183 R HN 0.788 nan 8.270 nan 0.000 0.463 184 G N 1.094 110.104 108.800 0.351 0.000 2.448 184 G HA2 0.456 4.419 3.960 0.005 0.000 0.285 184 G HA3 0.456 4.419 3.960 0.005 0.000 0.285 184 G C -1.254 173.715 174.900 0.115 0.000 1.176 184 G CA -0.091 45.170 45.100 0.268 0.000 0.852 184 G HN 0.371 nan 8.290 nan 0.000 0.530 185 F N 1.846 121.690 119.950 -0.177 0.000 2.902 185 F HA 0.639 5.169 4.527 0.005 0.000 0.368 185 F C -0.227 175.273 175.800 -0.501 0.000 1.202 185 F CA -1.907 55.875 58.000 -0.363 0.000 1.109 185 F CB 1.105 40.014 39.000 -0.151 0.000 1.418 185 F HN 0.651 nan 8.300 nan 0.000 0.527 186 A N 3.573 126.107 122.820 -0.477 0.000 2.303 186 A HA 0.759 5.082 4.320 0.005 0.000 0.320 186 A C -0.603 176.494 177.584 -0.811 0.000 1.192 186 A CA -0.430 51.151 52.037 -0.759 0.000 0.821 186 A CB 0.728 18.914 19.000 -1.356 0.000 1.188 186 A HN 0.545 nan 8.150 nan 0.000 0.492 187 T N 2.417 116.659 114.554 -0.521 0.000 2.786 187 T HA 0.382 4.735 4.350 0.005 0.000 0.283 187 T C -0.300 174.193 174.700 -0.346 0.000 0.992 187 T CA -0.445 61.371 62.100 -0.474 0.000 0.954 187 T CB 1.003 69.542 68.868 -0.548 0.000 0.934 187 T HN 0.627 nan 8.240 nan 0.000 0.440 188 K N 3.662 123.956 120.400 -0.177 0.000 2.281 188 K HA 0.437 4.760 4.320 0.005 0.000 0.272 188 K C -1.234 175.035 176.600 -0.552 0.000 1.048 188 K CA -0.593 55.514 56.287 -0.300 0.000 0.898 188 K CB 0.288 32.570 32.500 -0.364 0.000 1.128 188 K HN 0.382 nan 8.250 nan 0.000 0.460 189 F N 4.134 123.782 119.950 -0.505 0.000 2.411 189 F HA 0.233 4.763 4.527 0.005 0.000 0.355 189 F C -0.355 175.225 175.800 -0.366 0.000 1.117 189 F CA -0.557 57.208 58.000 -0.392 0.000 1.139 189 F CB 0.677 39.358 39.000 -0.531 0.000 1.120 189 F HN 0.426 nan 8.300 nan 0.000 0.493 190 Y N 1.785 122.137 120.300 0.087 0.000 2.714 190 Y HA 0.238 4.792 4.550 0.005 0.000 0.333 190 Y C 1.000 176.950 175.900 0.083 0.000 1.220 190 Y CA -0.943 57.190 58.100 0.055 0.000 1.513 190 Y CB -0.178 38.306 38.460 0.039 0.000 1.435 190 Y HN 0.571 nan 8.280 nan 0.000 0.489 191 T N -2.494 112.150 114.554 0.150 0.000 2.816 191 T HA 0.165 4.518 4.350 0.005 0.000 0.282 191 T C 0.942 175.733 174.700 0.153 0.000 0.993 191 T CA -0.680 61.512 62.100 0.154 0.000 0.994 191 T CB 1.048 69.987 68.868 0.118 0.000 1.025 191 T HN 0.643 nan 8.240 nan 0.000 0.529 192 E N -0.160 120.135 120.200 0.158 0.000 2.482 192 E HA -0.002 4.351 4.350 0.005 0.000 0.196 192 E C 0.905 177.570 176.600 0.109 0.000 1.047 192 E CA 0.527 57.003 56.400 0.125 0.000 0.869 192 E CB 0.133 29.903 29.700 0.117 0.000 0.836 192 E HN 0.720 nan 8.360 nan 0.000 0.520 193 E N 0.270 120.537 120.200 0.112 0.000 2.685 193 E HA 0.258 4.611 4.350 0.005 0.000 0.208 193 E C -0.051 176.596 176.600 0.077 0.000 0.996 193 E CA -0.315 56.142 56.400 0.095 0.000 1.054 193 E CB 1.198 30.956 29.700 0.097 0.000 1.075 193 E HN 0.206 nan 8.360 nan 0.000 0.460 194 G N 1.021 109.861 108.800 0.067 0.000 2.497 194 G HA2 -0.147 3.816 3.960 0.005 0.000 0.686 194 G HA3 -0.147 3.816 3.960 0.005 0.000 0.686 194 G C -0.796 174.107 174.900 0.005 0.000 1.288 194 G CA -1.126 43.989 45.100 0.026 0.000 0.899 194 G HN 0.041 nan 8.290 nan 0.000 0.608 195 I N 0.680 121.214 120.570 -0.061 0.000 2.556 195 I HA 0.415 4.588 4.170 0.005 0.000 0.284 195 I C 0.252 176.357 176.117 -0.020 0.000 1.114 195 I CA 0.043 61.274 61.300 -0.114 0.000 1.418 195 I CB 0.656 38.506 38.000 -0.250 0.000 1.394 195 I HN 0.506 nan 8.210 nan 0.000 0.552 196 F N 6.763 126.595 119.950 -0.197 0.000 2.493 196 F HA 0.474 5.004 4.527 0.005 0.000 0.329 196 F C -0.757 175.006 175.800 -0.061 0.000 1.126 196 F CA -1.126 56.762 58.000 -0.186 0.000 0.937 196 F CB 0.985 39.747 39.000 -0.396 0.000 1.146 196 F HN 0.341 nan 8.300 nan 0.000 0.442 197 D N 6.692 126.868 120.400 -0.372 0.000 2.344 197 D HA 0.277 4.920 4.640 0.005 0.000 0.239 197 D C -1.161 174.720 176.300 -0.697 0.000 1.064 197 D CA -0.139 53.626 54.000 -0.392 0.000 0.829 197 D CB 2.196 42.974 40.800 -0.037 0.000 1.129 197 D HN 0.504 nan 8.370 nan 0.000 0.506 198 L N 3.866 124.642 121.223 -0.745 0.000 2.283 198 L HA 0.317 4.660 4.340 0.005 0.000 0.281 198 L C -1.171 175.500 176.870 -0.331 0.000 1.033 198 L CA -0.774 53.712 54.840 -0.590 0.000 0.848 198 L CB 1.034 42.738 42.059 -0.592 0.000 1.226 198 L HN 0.068 nan 8.230 nan 0.000 0.429 199 V N 5.978 125.740 119.914 -0.253 0.000 2.247 199 V HA 0.715 4.838 4.120 0.005 0.000 0.262 199 V C 0.917 176.928 176.094 -0.139 0.000 1.096 199 V CA 0.005 62.161 62.300 -0.239 0.000 0.895 199 V CB 0.006 31.666 31.823 -0.271 0.000 1.141 199 V HN 0.862 nan 8.190 nan 0.000 0.478 200 G N 2.970 111.696 108.800 -0.123 0.000 2.820 200 G HA2 0.667 4.630 3.960 0.005 0.000 0.291 200 G HA3 0.667 4.630 3.960 0.005 0.000 0.291 200 G C -0.827 174.087 174.900 0.024 0.000 1.323 200 G CA -0.603 44.473 45.100 -0.040 0.000 1.055 200 G HN 0.474 nan 8.290 nan 0.000 0.520 201 N N -1.123 117.641 118.700 0.108 0.000 2.966 201 N HA 0.262 5.005 4.740 0.005 0.000 0.314 201 N C 0.487 176.170 175.510 0.288 0.000 1.397 201 N CA -0.756 52.418 53.050 0.206 0.000 0.776 201 N CB 1.209 39.815 38.487 0.197 0.000 1.576 201 N HN 0.517 nan 8.380 nan 0.000 0.592 202 N N -1.436 117.453 118.700 0.316 0.000 2.270 202 N HA 0.006 4.749 4.740 0.005 0.000 0.198 202 N C -0.620 175.151 175.510 0.435 0.000 1.117 202 N CA -0.075 53.213 53.050 0.397 0.000 0.845 202 N CB -0.130 38.574 38.487 0.361 0.000 0.980 202 N HN 0.526 nan 8.380 nan 0.000 0.486 203 T N -3.162 111.469 114.554 0.127 0.000 2.876 203 T HA 0.440 4.793 4.350 0.005 0.000 0.289 203 T C -2.490 171.608 174.700 -1.004 0.000 1.014 203 T CA -1.759 60.028 62.100 -0.522 0.000 0.986 203 T CB 2.842 71.319 68.868 -0.653 0.000 1.021 203 T HN -0.268 nan 8.240 nan 0.000 0.458 204 P HA 0.120 nan 4.420 nan 0.000 0.239 204 P C 0.459 177.202 177.300 -0.929 0.000 1.184 204 P CA 0.336 62.432 63.100 -1.673 0.000 0.760 204 P CB -0.224 30.480 31.700 -1.661 0.000 0.884 205 I N -5.366 114.672 120.570 -0.886 0.000 3.191 205 I HA 0.510 4.684 4.170 0.005 0.000 0.313 205 I C -1.318 174.526 176.117 -0.456 0.000 1.193 205 I CA -1.896 59.041 61.300 -0.606 0.000 0.968 205 I CB 1.472 39.090 38.000 -0.637 0.000 1.262 205 I HN -0.265 nan 8.210 nan 0.000 0.456 206 F N 0.685 120.355 119.950 -0.468 0.000 2.557 206 F HA 0.505 5.035 4.527 0.006 0.000 0.336 206 F C 0.552 176.110 175.800 -0.403 0.000 1.058 206 F CA -0.682 57.072 58.000 -0.410 0.000 0.988 206 F CB 1.781 40.663 39.000 -0.197 0.000 1.275 206 F HN 0.409 nan 8.300 nan 0.000 0.488 207 F N 2.070 121.365 119.950 -1.091 0.000 2.234 207 F HA 0.010 4.540 4.527 0.005 0.000 0.299 207 F C 0.678 176.231 175.800 -0.411 0.000 1.087 207 F CA 0.840 58.331 58.000 -0.848 0.000 1.340 207 F CB -0.138 37.969 39.000 -1.489 0.000 1.031 207 F HN 0.116 nan 8.300 nan 0.000 0.500 208 I N -3.501 117.075 120.570 0.010 0.000 3.042 208 I HA 0.358 4.531 4.170 0.005 0.000 0.310 208 I C 0.273 176.534 176.117 0.239 0.000 1.117 208 I CA -0.880 60.517 61.300 0.162 0.000 1.003 208 I CB 1.887 40.035 38.000 0.245 0.000 1.228 208 I HN -0.157 nan 8.210 nan 0.000 0.443 209 Q N 0.296 120.237 119.800 0.236 0.000 2.226 209 Q HA 0.123 4.466 4.340 0.005 0.000 0.199 209 Q C -0.253 175.915 176.000 0.280 0.000 0.945 209 Q CA 0.666 56.643 55.803 0.291 0.000 0.861 209 Q CB 0.403 29.379 28.738 0.396 0.000 0.953 209 Q HN 0.650 nan 8.270 nan 0.000 0.490 210 D N -0.948 119.593 120.400 0.236 0.000 2.362 210 D HA 0.315 4.958 4.640 0.005 0.000 0.247 210 D C 0.053 176.481 176.300 0.214 0.000 1.050 210 D CA -0.258 53.856 54.000 0.189 0.000 0.839 210 D CB 1.818 42.704 40.800 0.143 0.000 1.283 210 D HN 0.050 nan 8.370 nan 0.000 0.477 211 A N 3.400 126.319 122.820 0.164 0.000 2.076 211 A HA -0.243 4.080 4.320 0.005 0.000 0.220 211 A C 1.785 179.492 177.584 0.205 0.000 1.160 211 A CA 1.662 53.791 52.037 0.154 0.000 0.653 211 A CB -0.767 18.270 19.000 0.062 0.000 0.801 211 A HN 0.806 nan 8.150 nan 0.000 0.455 212 H N 0.070 119.200 119.070 0.100 0.000 2.422 212 H HA -0.029 4.530 4.556 0.005 0.000 0.298 212 H C 1.313 176.718 175.328 0.128 0.000 1.098 212 H CA 1.750 57.848 56.048 0.085 0.000 1.315 212 H CB 0.191 29.981 29.762 0.046 0.000 1.382 212 H HN 0.234 nan 8.280 nan 0.000 0.523 213 K N -0.275 120.240 120.400 0.191 0.000 2.444 213 K HA -0.039 4.284 4.320 0.005 0.000 0.193 213 K C 1.554 178.288 176.600 0.223 0.000 1.024 213 K CA 0.021 56.421 56.287 0.190 0.000 1.077 213 K CB -0.388 32.286 32.500 0.290 0.000 0.833 213 K HN 0.325 nan 8.250 nan 0.000 0.517 214 F N 2.976 122.978 119.950 0.086 0.000 2.095 214 F HA -0.136 4.394 4.527 0.005 0.000 0.298 214 F C -0.906 174.903 175.800 0.015 0.000 1.104 214 F CA 1.431 59.504 58.000 0.122 0.000 1.232 214 F CB -0.597 38.469 39.000 0.111 0.000 0.987 214 F HN 0.055 nan 8.300 nan 0.000 0.475 215 P HA -0.159 nan 4.420 nan 0.000 0.216 215 P C 1.040 178.010 177.300 -0.549 0.000 1.150 215 P CA 1.867 64.745 63.100 -0.370 0.000 0.837 215 P CB -0.093 31.416 31.700 -0.317 0.000 0.786 216 D N -1.278 118.956 120.400 -0.277 0.000 2.084 216 D HA -0.156 4.487 4.640 0.005 0.000 0.196 216 D C 1.862 177.890 176.300 -0.453 0.000 0.985 216 D CA 1.008 54.892 54.000 -0.194 0.000 0.826 216 D CB -0.905 39.970 40.800 0.125 0.000 0.978 216 D HN 0.149 nan 8.370 nan 0.000 0.456 217 F N 2.094 121.635 119.950 -0.681 0.000 2.046 217 F HA -0.257 4.273 4.527 0.005 0.000 0.297 217 F C 2.336 177.733 175.800 -0.672 0.000 1.123 217 F CA 1.317 58.692 58.000 -1.041 0.000 1.199 217 F CB -0.348 38.290 39.000 -0.603 0.000 0.972 217 F HN -0.250 nan 8.300 nan 0.000 0.474 218 V N 0.479 119.960 119.914 -0.721 0.000 2.332 218 V HA -0.374 3.749 4.120 0.005 0.000 0.248 218 V C 2.277 178.145 176.094 -0.377 0.000 1.055 218 V CA 2.549 64.478 62.300 -0.617 0.000 1.038 218 V CB -1.138 30.356 31.823 -0.548 0.000 0.651 218 V HN 0.513 nan 8.190 nan 0.000 0.450 219 H N -0.394 118.449 119.070 -0.379 0.000 2.389 219 H HA -0.072 4.487 4.556 0.005 0.000 0.299 219 H C 2.343 177.516 175.328 -0.258 0.000 1.081 219 H CA 0.918 56.823 56.048 -0.238 0.000 1.345 219 H CB -0.011 29.668 29.762 -0.139 0.000 1.393 219 H HN 0.487 nan 8.280 nan 0.000 0.520 220 A N 0.493 123.131 122.820 -0.303 0.000 1.902 220 A HA -0.135 4.188 4.320 0.005 0.000 0.217 220 A C 2.495 179.920 177.584 -0.264 0.000 1.181 220 A CA 1.559 53.411 52.037 -0.308 0.000 0.623 220 A CB -0.751 17.935 19.000 -0.524 0.000 0.818 220 A HN 0.304 nan 8.150 nan 0.000 0.443 221 V N -0.268 119.372 119.914 -0.455 0.000 2.649 221 V HA -0.003 4.120 4.120 0.005 0.000 0.248 221 V C 1.052 177.102 176.094 -0.072 0.000 1.054 221 V CA 0.783 62.891 62.300 -0.319 0.000 1.073 221 V CB -0.427 31.003 31.823 -0.655 0.000 0.699 221 V HN 0.362 nan 8.190 nan 0.000 0.463 222 K N 0.923 121.250 120.400 -0.122 0.000 2.143 222 K HA 0.201 4.524 4.320 0.005 0.000 0.239 222 K C -2.264 174.303 176.600 -0.054 0.000 1.048 222 K CA -1.490 54.748 56.287 -0.081 0.000 0.867 222 K CB -0.653 31.795 32.500 -0.087 0.000 1.088 222 K HN 0.146 nan 8.250 nan 0.000 0.510 223 P HA 0.006 nan 4.420 nan 0.000 0.264 223 P C -0.659 176.598 177.300 -0.072 0.000 1.193 223 P CA 0.391 63.375 63.100 -0.193 0.000 0.763 223 P CB 0.288 31.874 31.700 -0.190 0.000 0.810 224 E N 6.011 126.211 120.200 0.001 0.000 2.413 224 E HA -0.032 4.321 4.350 0.005 0.000 0.263 224 E C -1.237 175.457 176.600 0.157 0.000 1.015 224 E CA -1.211 55.305 56.400 0.194 0.000 0.916 224 E CB 0.082 30.028 29.700 0.410 0.000 0.947 224 E HN 0.427 nan 8.360 nan 0.000 0.440 225 P HA -0.205 nan 4.420 nan 0.000 0.221 225 P C 0.978 178.361 177.300 0.139 0.000 1.150 225 P CA 1.393 64.549 63.100 0.093 0.000 0.800 225 P CB 0.023 31.752 31.700 0.049 0.000 0.787 226 H N -0.896 118.234 119.070 0.100 0.000 2.333 226 H HA -0.072 4.487 4.556 0.005 0.000 0.302 226 H C 1.400 176.839 175.328 0.185 0.000 1.075 226 H CA 1.389 57.473 56.048 0.061 0.000 1.348 226 H CB -1.328 28.393 29.762 -0.067 0.000 1.393 226 H HN 0.309 nan 8.280 nan 0.000 0.509 227 W N -0.085 120.909 121.300 -0.509 0.000 2.702 227 W HA 0.709 5.372 4.660 0.005 0.000 0.369 227 W C 0.381 176.749 176.519 -0.252 0.000 0.987 227 W CA -1.395 55.748 57.345 -0.337 0.000 1.702 227 W CB -0.813 28.405 29.460 -0.402 0.000 1.138 227 W HN 0.425 nan 8.180 nan 0.000 0.552 228 A N 1.441 124.229 122.820 -0.054 0.000 2.560 228 A HA -0.164 4.159 4.320 0.005 0.000 0.299 228 A C -0.326 177.017 177.584 -0.402 0.000 1.484 228 A CA 1.522 53.450 52.037 -0.182 0.000 0.749 228 A CB -2.366 16.561 19.000 -0.121 0.000 1.072 228 A HN 0.469 nan 8.150 nan 0.000 0.426 229 I N 0.159 120.314 120.570 -0.692 0.000 2.730 229 I HA 0.542 4.715 4.170 0.005 0.000 0.298 229 I C -2.449 173.329 176.117 -0.564 0.000 1.089 229 I CA -2.576 58.236 61.300 -0.813 0.000 1.041 229 I CB 2.775 39.821 38.000 -1.591 0.000 1.235 229 I HN 0.156 nan 8.210 nan 0.000 0.423 230 P HA 0.290 nan 4.420 nan 0.000 0.290 230 P C -1.449 175.666 177.300 -0.308 0.000 1.283 230 P CA -0.813 62.045 63.100 -0.404 0.000 0.869 230 P CB 1.228 32.762 31.700 -0.277 0.000 1.100 231 Q N 1.002 120.672 119.800 -0.217 0.000 2.286 231 Q HA 0.465 4.808 4.340 0.005 0.000 0.257 231 Q C 1.183 177.130 176.000 -0.088 0.000 0.941 231 Q CA 1.043 56.759 55.803 -0.146 0.000 0.912 231 Q CB -0.396 28.268 28.738 -0.122 0.000 1.192 231 Q HN 0.814 nan 8.270 nan 0.000 0.410 232 G N 3.057 111.815 108.800 -0.069 0.000 2.187 232 G HA2 -0.311 3.652 3.960 0.005 0.000 0.261 232 G HA3 -0.311 3.652 3.960 0.005 0.000 0.261 232 G C -0.207 174.689 174.900 -0.008 0.000 1.000 232 G CA 0.705 45.789 45.100 -0.027 0.000 0.718 232 G HN 0.555 nan 8.290 nan 0.000 0.519 233 Q N -1.065 118.719 119.800 -0.026 0.000 2.394 233 Q HA 0.612 4.955 4.340 0.005 0.000 0.273 233 Q C 0.994 177.003 176.000 0.016 0.000 1.089 233 Q CA -0.126 55.692 55.803 0.025 0.000 0.812 233 Q CB 1.794 30.580 28.738 0.080 0.000 1.353 233 Q HN 0.410 nan 8.270 nan 0.000 0.438 234 S N -0.646 114.992 115.700 -0.104 0.000 2.535 234 S HA 0.185 4.659 4.470 0.005 0.000 0.214 234 S C 0.937 175.539 174.600 0.004 0.000 0.980 234 S CA 0.017 57.948 58.200 -0.449 0.000 0.907 234 S CB 0.404 62.888 63.200 -1.192 0.000 0.790 234 S HN 0.589 nan 8.310 nan 0.000 0.510 235 A N 2.401 125.375 122.820 0.256 0.000 3.052 235 A HA 0.476 4.799 4.320 0.005 0.000 0.266 235 A C 0.125 177.950 177.584 0.402 0.000 1.855 235 A CA -0.426 51.829 52.037 0.363 0.000 1.473 235 A CB -1.457 17.692 19.000 0.249 0.000 1.038 235 A HN 0.912 nan 8.150 nan 0.000 0.619 236 H N -3.800 115.460 119.070 0.318 0.000 3.042 236 H HA 0.478 5.037 4.556 0.005 0.000 0.346 236 H C -0.095 175.424 175.328 0.318 0.000 1.294 236 H CA -0.683 55.515 56.048 0.249 0.000 1.141 236 H CB 0.251 30.118 29.762 0.174 0.000 1.872 236 H HN 0.084 nan 8.280 nan 0.000 0.541 237 D N 0.560 121.117 120.400 0.261 0.000 2.204 237 D HA -0.272 4.371 4.640 0.005 0.000 0.189 237 D C 2.148 178.497 176.300 0.081 0.000 1.006 237 D CA 3.620 57.717 54.000 0.160 0.000 0.855 237 D CB -0.320 40.570 40.800 0.150 0.000 0.946 237 D HN 0.805 nan 8.370 nan 0.000 0.448 238 T N -1.928 112.656 114.554 0.050 0.000 2.821 238 T HA -0.175 4.179 4.350 0.005 0.000 0.267 238 T C 1.906 176.521 174.700 -0.142 0.000 1.046 238 T CA 0.762 62.861 62.100 -0.002 0.000 1.139 238 T CB -0.720 68.197 68.868 0.082 0.000 0.871 238 T HN 0.164 nan 8.240 nan 0.000 0.454 239 F N 1.159 120.774 119.950 -0.558 0.000 2.069 239 F HA 0.009 4.539 4.527 0.005 0.000 0.298 239 F C 1.803 177.334 175.800 -0.450 0.000 1.113 239 F CA 0.925 58.540 58.000 -0.642 0.000 1.214 239 F CB -0.734 37.727 39.000 -0.898 0.000 0.978 239 F HN 0.172 nan 8.300 nan 0.000 0.474 240 W N 0.500 121.672 121.300 -0.212 0.000 2.519 240 W HA -0.066 4.597 4.660 0.006 0.000 0.266 240 W C 2.232 178.645 176.519 -0.177 0.000 1.253 240 W CA 0.945 58.163 57.345 -0.213 0.000 1.274 240 W CB -0.611 28.825 29.460 -0.040 0.000 1.114 240 W HN 0.105 nan 8.180 nan 0.000 0.596 241 D N -0.703 119.714 120.400 0.028 0.000 2.097 241 D HA -0.277 4.366 4.640 0.005 0.000 0.197 241 D C 1.904 178.196 176.300 -0.013 0.000 0.984 241 D CA 1.365 55.373 54.000 0.013 0.000 0.826 241 D CB -0.469 40.351 40.800 0.033 0.000 0.973 241 D HN 0.169 nan 8.370 nan 0.000 0.460 242 Y N 0.539 120.724 120.300 -0.191 0.000 2.114 242 Y HA -0.201 4.352 4.550 0.005 0.000 0.284 242 Y C 2.236 177.998 175.900 -0.230 0.000 1.143 242 Y CA 1.537 59.517 58.100 -0.200 0.000 1.135 242 Y CB -0.538 37.774 38.460 -0.247 0.000 0.980 242 Y HN -0.111 nan 8.280 nan 0.000 0.499 243 V N 0.258 120.058 119.914 -0.191 0.000 2.282 243 V HA -0.374 3.749 4.120 0.005 0.000 0.249 243 V C 2.651 178.693 176.094 -0.087 0.000 1.057 243 V CA 2.418 64.595 62.300 -0.205 0.000 1.032 243 V CB -1.352 30.222 31.823 -0.415 0.000 0.645 243 V HN 0.679 nan 8.190 nan 0.000 0.447 244 S N -0.294 115.396 115.700 -0.017 0.000 2.442 244 S HA -0.083 4.390 4.470 0.005 0.000 0.236 244 S C 1.603 176.173 174.600 -0.051 0.000 1.007 244 S CA 1.478 59.687 58.200 0.016 0.000 0.965 244 S CB -0.469 62.761 63.200 0.050 0.000 0.773 244 S HN 0.572 nan 8.310 nan 0.000 0.504 245 L N -0.040 121.104 121.223 -0.131 0.000 2.640 245 L HA 0.376 4.719 4.340 0.005 0.000 0.230 245 L C 0.286 176.996 176.870 -0.268 0.000 1.123 245 L CA -0.032 54.708 54.840 -0.167 0.000 0.900 245 L CB 0.138 42.093 42.059 -0.173 0.000 1.146 245 L HN 0.222 nan 8.230 nan 0.000 0.484 246 Q N 0.329 119.935 119.800 -0.323 0.000 3.412 246 Q HA 0.220 4.563 4.340 0.005 0.000 0.219 246 Q C -2.049 173.750 176.000 -0.335 0.000 0.913 246 Q CA -1.217 54.350 55.803 -0.393 0.000 0.722 246 Q CB 1.640 30.036 28.738 -0.570 0.000 1.385 246 Q HN -0.048 nan 8.270 nan 0.000 0.461 247 P HA -0.180 nan 4.420 nan 0.000 0.230 247 P C 0.934 177.939 177.300 -0.492 0.000 1.158 247 P CA 0.896 63.773 63.100 -0.372 0.000 0.769 247 P CB 0.279 31.780 31.700 -0.331 0.000 0.807 248 E N 0.776 120.564 120.200 -0.686 0.000 2.209 248 E HA -0.181 4.172 4.350 0.005 0.000 0.196 248 E C 1.478 178.050 176.600 -0.047 0.000 0.993 248 E CA 1.893 58.149 56.400 -0.240 0.000 0.819 248 E CB -1.325 28.309 29.700 -0.109 0.000 0.745 248 E HN 0.286 nan 8.360 nan 0.000 0.477 249 T N -0.405 114.125 114.554 -0.040 0.000 2.995 249 T HA -0.009 4.344 4.350 0.005 0.000 0.269 249 T C 2.008 176.788 174.700 0.134 0.000 1.091 249 T CA 0.570 62.712 62.100 0.071 0.000 1.128 249 T CB -0.385 68.556 68.868 0.121 0.000 0.891 249 T HN 0.146 nan 8.240 nan 0.000 0.492 250 L N 0.112 121.419 121.223 0.140 0.000 2.079 250 L HA -0.106 4.237 4.340 0.005 0.000 0.210 250 L C 2.859 179.911 176.870 0.303 0.000 1.081 250 L CA 1.874 56.865 54.840 0.252 0.000 0.752 250 L CB -0.853 41.360 42.059 0.257 0.000 0.896 250 L HN 0.468 nan 8.230 nan 0.000 0.433 251 H N 0.101 119.234 119.070 0.105 0.000 2.267 251 H HA -0.213 4.346 4.556 0.005 0.000 0.297 251 H C 2.202 177.527 175.328 -0.005 0.000 1.080 251 H CA 1.926 58.025 56.048 0.084 0.000 1.278 251 H CB 0.177 29.941 29.762 0.004 0.000 1.365 251 H HN 0.378 nan 8.280 nan 0.000 0.489 252 N N -0.265 118.269 118.700 -0.276 0.000 2.166 252 N HA -0.141 4.602 4.740 0.005 0.000 0.186 252 N C 1.988 177.365 175.510 -0.221 0.000 1.019 252 N CA 0.882 53.550 53.050 -0.637 0.000 0.856 252 N CB 0.247 37.837 38.487 -1.494 0.000 0.993 252 N HN 0.106 nan 8.380 nan 0.000 0.426 253 V N 1.813 121.812 119.914 0.143 0.000 2.255 253 V HA -0.284 3.839 4.120 0.005 0.000 0.247 253 V C 2.520 178.767 176.094 0.255 0.000 1.051 253 V CA 1.372 63.878 62.300 0.344 0.000 1.018 253 V CB -0.437 31.637 31.823 0.419 0.000 0.641 253 V HN 0.390 nan 8.190 nan 0.000 0.445 254 M N -1.405 118.394 119.600 0.332 0.000 2.088 254 M HA -0.265 4.218 4.480 0.005 0.000 0.256 254 M C 2.103 178.403 176.300 0.000 0.000 1.071 254 M CA 2.163 57.648 55.300 0.308 0.000 1.097 254 M CB -1.309 31.503 32.600 0.353 0.000 1.315 254 M HN 0.485 nan 8.290 nan 0.000 0.406 255 W N 0.353 121.372 121.300 -0.469 0.000 2.338 255 W HA -0.101 4.563 4.660 0.007 0.000 0.304 255 W C 2.827 179.272 176.519 -0.124 0.000 1.212 255 W CA 1.820 58.877 57.345 -0.479 0.000 1.264 255 W CB -1.116 28.007 29.460 -0.562 0.000 1.142 255 W HN 0.323 nan 8.180 nan 0.000 0.512 256 A N -0.744 122.158 122.820 0.137 0.000 1.972 256 A HA -0.172 4.151 4.320 0.005 0.000 0.219 256 A C 1.899 179.530 177.584 0.078 0.000 1.169 256 A CA 1.593 53.711 52.037 0.134 0.000 0.635 256 A CB -0.528 18.579 19.000 0.179 0.000 0.810 256 A HN 0.094 nan 8.150 nan 0.000 0.446 257 M N 0.556 120.164 119.600 0.013 0.000 2.595 257 M HA 0.054 4.537 4.480 0.005 0.000 0.248 257 M C 1.257 177.600 176.300 0.072 0.000 1.119 257 M CA 0.530 55.779 55.300 -0.085 0.000 1.079 257 M CB -1.255 31.052 32.600 -0.490 0.000 1.472 257 M HN 0.537 nan 8.290 nan 0.000 0.501 258 S N -0.375 115.426 115.700 0.167 0.000 2.686 258 S HA 0.205 4.678 4.470 0.005 0.000 0.270 258 S C 0.692 175.424 174.600 0.221 0.000 1.194 258 S CA -0.585 57.759 58.200 0.240 0.000 0.990 258 S CB 1.125 64.517 63.200 0.320 0.000 1.029 258 S HN 0.137 nan 8.310 nan 0.000 0.560 259 D N 0.142 120.695 120.400 0.255 0.000 2.350 259 D HA 0.023 4.666 4.640 0.005 0.000 0.216 259 D C 1.835 178.285 176.300 0.250 0.000 0.968 259 D CA 0.372 54.539 54.000 0.279 0.000 0.894 259 D CB -0.155 40.882 40.800 0.395 0.000 0.909 259 D HN 0.354 nan 8.370 nan 0.000 0.520 260 R N 0.197 120.839 120.500 0.237 0.000 2.127 260 R HA -0.046 4.297 4.340 0.005 0.000 0.238 260 R C 1.993 178.452 176.300 0.265 0.000 1.134 260 R CA 1.024 57.286 56.100 0.271 0.000 0.975 260 R CB -0.732 29.786 30.300 0.364 0.000 0.865 260 R HN 0.187 nan 8.270 nan 0.000 0.447 261 G N 0.984 109.925 108.800 0.234 0.000 2.920 261 G HA2 0.051 4.014 3.960 0.005 0.000 0.208 261 G HA3 0.051 4.014 3.960 0.005 0.000 0.208 261 G C 0.938 175.978 174.900 0.233 0.000 1.159 261 G CA -0.046 45.184 45.100 0.216 0.000 0.784 261 G HN 0.396 nan 8.290 nan 0.000 0.535 262 I N -2.460 118.258 120.570 0.247 0.000 2.917 262 I HA 0.352 4.525 4.170 0.005 0.000 0.292 262 I C -2.874 173.399 176.117 0.260 0.000 1.510 262 I CA -2.522 58.931 61.300 0.255 0.000 0.858 262 I CB 1.721 39.867 38.000 0.244 0.000 1.862 262 I HN -0.275 nan 8.210 nan 0.000 0.615 263 P HA 0.012 nan 4.420 nan 0.000 0.267 263 P C 0.591 178.055 177.300 0.273 0.000 1.200 263 P CA -0.012 63.212 63.100 0.206 0.000 0.772 263 P CB 1.072 32.821 31.700 0.082 0.000 0.855 264 R N 1.853 122.486 120.500 0.223 0.000 2.115 264 R HA 0.030 4.373 4.340 0.005 0.000 0.230 264 R C 0.391 176.881 176.300 0.316 0.000 1.111 264 R CA 1.404 57.688 56.100 0.305 0.000 0.976 264 R CB -0.289 30.155 30.300 0.241 0.000 0.870 264 R HN 0.531 nan 8.270 nan 0.000 0.445 265 S N -3.050 112.619 115.700 -0.051 0.000 2.597 265 S HA 0.195 4.668 4.470 0.005 0.000 0.274 265 S C -0.568 173.753 174.600 -0.466 0.000 1.132 265 S CA -0.838 57.138 58.200 -0.375 0.000 0.835 265 S CB -0.072 63.044 63.200 -0.140 0.000 1.092 265 S HN 0.092 nan 8.310 nan 0.000 0.457 266 Y N 2.107 122.056 120.300 -0.584 0.000 2.497 266 Y HA 0.110 4.663 4.550 0.005 0.000 0.292 266 Y C 2.326 177.898 175.900 -0.547 0.000 1.137 266 Y CA 0.930 58.571 58.100 -0.765 0.000 1.285 266 Y CB -0.292 37.356 38.460 -1.353 0.000 0.991 266 Y HN 0.538 nan 8.280 nan 0.000 0.556 267 R N -0.575 119.804 120.500 -0.201 0.000 2.153 267 R HA -0.018 4.325 4.340 0.005 0.000 0.218 267 R C 1.087 177.355 176.300 -0.054 0.000 1.072 267 R CA 1.502 57.522 56.100 -0.134 0.000 0.990 267 R CB -0.493 29.720 30.300 -0.145 0.000 0.889 267 R HN 0.288 nan 8.270 nan 0.000 0.452 268 T N -0.795 113.741 114.554 -0.030 0.000 3.221 268 T HA 0.419 4.772 4.350 0.005 0.000 0.246 268 T C 0.171 174.919 174.700 0.081 0.000 0.952 268 T CA -0.665 61.448 62.100 0.022 0.000 0.994 268 T CB -0.256 68.612 68.868 0.001 0.000 1.127 268 T HN 0.122 nan 8.240 nan 0.000 0.549 269 M N -1.425 118.269 119.600 0.156 0.000 2.618 269 M HA 0.729 5.212 4.480 0.005 0.000 0.281 269 M C -1.360 175.124 176.300 0.308 0.000 1.267 269 M CA -0.950 54.478 55.300 0.214 0.000 0.845 269 M CB 2.066 34.789 32.600 0.204 0.000 1.732 269 M HN -0.128 nan 8.290 nan 0.000 0.461 270 E N 0.194 120.561 120.200 0.279 0.000 2.280 270 E HA 0.720 5.073 4.350 0.005 0.000 0.264 270 E C -0.421 176.235 176.600 0.095 0.000 1.064 270 E CA -0.751 55.739 56.400 0.150 0.000 0.900 270 E CB 1.922 31.627 29.700 0.009 0.000 1.123 270 E HN 0.851 nan 8.360 nan 0.000 0.418 271 G N 0.737 109.416 108.800 -0.202 0.000 2.524 271 G HA2 0.642 4.605 3.960 0.005 0.000 0.310 271 G HA3 0.642 4.605 3.960 0.005 0.000 0.310 271 G C -1.485 172.989 174.900 -0.710 0.000 1.279 271 G CA -0.466 44.480 45.100 -0.258 0.000 0.974 271 G HN 0.292 nan 8.290 nan 0.000 0.484 272 F N -0.221 119.650 119.950 -0.132 0.000 2.608 272 F HA 0.494 5.024 4.527 0.005 0.000 0.309 272 F C 1.053 176.761 175.800 -0.153 0.000 1.103 272 F CA -0.580 57.278 58.000 -0.237 0.000 0.954 272 F CB 2.483 41.293 39.000 -0.316 0.000 1.267 272 F HN 0.611 nan 8.300 nan 0.000 0.444 273 G N 0.838 109.707 108.800 0.114 0.000 2.623 273 G HA2 0.125 4.088 3.960 0.005 0.000 0.214 273 G HA3 0.125 4.088 3.960 0.005 0.000 0.214 273 G C 1.185 176.147 174.900 0.103 0.000 1.138 273 G CA 0.904 46.126 45.100 0.203 0.000 0.794 273 G HN 0.814 nan 8.290 nan 0.000 0.535 274 I N -1.326 119.231 120.570 -0.022 0.000 4.538 274 I HA -0.296 3.878 4.170 0.005 0.000 0.053 274 I C 0.469 176.446 176.117 -0.234 0.000 0.613 274 I CA 1.334 62.490 61.300 -0.241 0.000 0.944 274 I CB -1.064 36.681 38.000 -0.425 0.000 0.852 274 I HN 0.245 nan 8.210 nan 0.000 0.162 275 H N 1.999 121.046 119.070 -0.038 0.000 2.607 275 H HA 0.291 4.850 4.556 0.005 0.000 0.367 275 H C 0.057 175.262 175.328 -0.206 0.000 1.181 275 H CA 0.450 56.376 56.048 -0.204 0.000 1.402 275 H CB 0.514 29.974 29.762 -0.503 0.000 1.474 275 H HN 0.127 nan 8.280 nan 0.000 0.596 276 T N 3.521 118.009 114.554 -0.109 0.000 2.794 276 T HA 0.274 4.627 4.350 0.005 0.000 0.296 276 T C 0.151 174.742 174.700 -0.182 0.000 0.949 276 T CA -0.031 62.005 62.100 -0.108 0.000 1.101 276 T CB -0.087 68.686 68.868 -0.159 0.000 0.905 276 T HN 0.230 nan 8.240 nan 0.000 0.516 277 F N 1.221 121.158 119.950 -0.022 0.000 2.697 277 F HA 0.673 5.203 4.527 0.005 0.000 0.386 277 F C 0.943 176.714 175.800 -0.049 0.000 1.154 277 F CA -1.333 56.672 58.000 0.008 0.000 1.108 277 F CB 1.382 40.386 39.000 0.007 0.000 1.429 277 F HN 0.170 nan 8.300 nan 0.000 0.509 278 R N 0.535 121.112 120.500 0.128 0.000 2.750 278 R HA 0.647 4.990 4.340 0.005 0.000 0.281 278 R C -1.661 174.524 176.300 -0.191 0.000 0.972 278 R CA -0.863 55.167 56.100 -0.116 0.000 0.912 278 R CB 2.114 32.287 30.300 -0.211 0.000 1.187 278 R HN 0.431 nan 8.270 nan 0.000 0.464 279 L N 3.660 124.716 121.223 -0.278 0.000 2.325 279 L HA 0.543 4.886 4.340 0.005 0.000 0.278 279 L C -0.499 176.205 176.870 -0.277 0.000 1.023 279 L CA -1.007 53.670 54.840 -0.271 0.000 0.811 279 L CB 1.436 43.328 42.059 -0.278 0.000 1.249 279 L HN 0.369 nan 8.230 nan 0.000 0.431 280 I N 2.627 123.055 120.570 -0.236 0.000 2.436 280 I HA 0.295 4.468 4.170 0.005 0.000 0.289 280 I C -0.189 175.829 176.117 -0.166 0.000 1.010 280 I CA -0.729 60.437 61.300 -0.223 0.000 1.098 280 I CB 1.260 39.136 38.000 -0.207 0.000 1.266 280 I HN 0.617 nan 8.210 nan 0.000 0.434 281 N N 4.907 123.522 118.700 -0.141 0.000 2.538 281 N HA 0.410 5.153 4.740 0.005 0.000 0.292 281 N C 0.819 176.279 175.510 -0.084 0.000 1.262 281 N CA -0.359 52.628 53.050 -0.105 0.000 0.976 281 N CB 0.532 38.966 38.487 -0.088 0.000 1.161 281 N HN 0.508 nan 8.380 nan 0.000 0.598 282 A N -0.405 122.376 122.820 -0.065 0.000 1.972 282 A HA -0.189 4.134 4.320 0.005 0.000 0.219 282 A C 1.713 179.269 177.584 -0.046 0.000 1.169 282 A CA 1.697 53.703 52.037 -0.052 0.000 0.635 282 A CB -1.046 17.931 19.000 -0.039 0.000 0.810 282 A HN 0.866 nan 8.150 nan 0.000 0.446 283 E N -1.528 118.646 120.200 -0.044 0.000 2.204 283 E HA 0.234 4.587 4.350 0.005 0.000 0.194 283 E C 1.235 177.816 176.600 -0.032 0.000 0.989 283 E CA 0.618 56.997 56.400 -0.035 0.000 0.824 283 E CB -0.335 29.346 29.700 -0.031 0.000 0.756 283 E HN 0.827 nan 8.360 nan 0.000 0.477 284 G N 1.678 110.453 108.800 -0.042 0.000 2.163 284 G HA2 -0.324 3.639 3.960 0.005 0.000 0.213 284 G HA3 -0.324 3.639 3.960 0.005 0.000 0.213 284 G C 0.115 175.009 174.900 -0.010 0.000 0.991 284 G CA 0.042 45.131 45.100 -0.018 0.000 0.653 284 G HN 0.409 nan 8.290 nan 0.000 0.518 285 K N 0.449 120.813 120.400 -0.060 0.000 2.298 285 K HA 0.720 5.043 4.320 0.005 0.000 0.280 285 K C 0.361 176.817 176.600 -0.239 0.000 1.032 285 K CA 0.166 56.392 56.287 -0.102 0.000 0.958 285 K CB 1.292 33.739 32.500 -0.088 0.000 0.978 285 K HN 0.819 nan 8.250 nan 0.000 0.472 286 A N 3.450 126.017 122.820 -0.422 0.000 2.290 286 A HA 0.402 4.725 4.320 0.005 0.000 0.310 286 A C -0.706 176.539 177.584 -0.565 0.000 1.202 286 A CA -0.626 50.997 52.037 -0.690 0.000 0.837 286 A CB 0.853 18.994 19.000 -1.433 0.000 1.139 286 A HN 0.792 nan 8.150 nan 0.000 0.509 287 T N 2.374 116.637 114.554 -0.485 0.000 2.841 287 T HA 0.538 4.891 4.350 0.005 0.000 0.283 287 T C -0.695 173.773 174.700 -0.386 0.000 1.000 287 T CA -0.122 61.743 62.100 -0.391 0.000 0.977 287 T CB 0.539 69.270 68.868 -0.227 0.000 0.979 287 T HN 0.329 nan 8.240 nan 0.000 0.446 288 F N 2.159 122.005 119.950 -0.174 0.000 2.456 288 F HA 0.551 5.082 4.527 0.005 0.000 0.358 288 F C 0.514 176.193 175.800 -0.202 0.000 1.095 288 F CA -0.524 57.374 58.000 -0.170 0.000 1.216 288 F CB 0.754 39.675 39.000 -0.131 0.000 1.125 288 F HN 0.199 nan 8.300 nan 0.000 0.549 289 V N 4.899 124.767 119.914 -0.076 0.000 3.007 289 V HA 0.651 4.774 4.120 0.005 0.000 0.311 289 V C -1.097 174.789 176.094 -0.347 0.000 1.120 289 V CA -0.827 61.290 62.300 -0.305 0.000 0.980 289 V CB 2.367 33.786 31.823 -0.673 0.000 1.033 289 V HN 0.767 nan 8.190 nan 0.000 0.429 290 R N 4.521 124.856 120.500 -0.276 0.000 2.513 290 R HA 0.517 4.860 4.340 0.005 0.000 0.301 290 R C -1.682 174.581 176.300 -0.061 0.000 0.968 290 R CA -0.460 55.549 56.100 -0.152 0.000 0.872 290 R CB 1.983 32.291 30.300 0.014 0.000 1.177 290 R HN 0.568 nan 8.270 nan 0.000 0.444 291 F N 2.494 122.520 119.950 0.126 0.000 2.399 291 F HA 0.325 4.855 4.527 0.005 0.000 0.342 291 F C 1.019 176.781 175.800 -0.063 0.000 1.106 291 F CA 0.225 58.260 58.000 0.058 0.000 1.196 291 F CB 0.732 39.677 39.000 -0.091 0.000 1.163 291 F HN 0.219 nan 8.300 nan 0.000 0.547 292 H N 1.093 120.152 119.070 -0.018 0.000 2.894 292 H HA 0.197 4.756 4.556 0.005 0.000 0.367 292 H C -1.624 173.443 175.328 -0.434 0.000 1.144 292 H CA -1.010 54.915 56.048 -0.206 0.000 1.180 292 H CB 1.838 31.572 29.762 -0.047 0.000 1.758 292 H HN 0.681 nan 8.280 nan 0.000 0.541 293 W N 2.744 123.940 121.300 -0.173 0.000 2.471 293 W HA 0.323 4.986 4.660 0.005 0.000 0.318 293 W C -0.119 176.407 176.519 0.012 0.000 1.034 293 W CA -0.711 56.545 57.345 -0.149 0.000 1.224 293 W CB 1.754 30.889 29.460 -0.542 0.000 1.335 293 W HN 0.235 nan 8.180 nan 0.000 0.452 294 K N 5.937 126.607 120.400 0.449 0.000 2.307 294 K HA 0.393 4.716 4.320 0.005 0.000 0.263 294 K C -2.486 174.349 176.600 0.392 0.000 0.973 294 K CA -1.956 54.528 56.287 0.328 0.000 0.846 294 K CB 1.669 34.310 32.500 0.235 0.000 1.100 294 K HN 0.042 nan 8.250 nan 0.000 0.438 295 P HA 0.058 nan 4.420 nan 0.000 0.276 295 P C 0.359 177.693 177.300 0.057 0.000 1.264 295 P CA -0.071 63.135 63.100 0.176 0.000 0.769 295 P CB 0.696 32.503 31.700 0.179 0.000 0.840 296 L N 2.722 123.928 121.223 -0.029 0.000 2.376 296 L HA -0.059 4.284 4.340 0.005 0.000 0.219 296 L C 2.306 179.165 176.870 -0.019 0.000 1.133 296 L CA 1.008 55.851 54.840 0.004 0.000 0.816 296 L CB -0.590 41.476 42.059 0.011 0.000 0.933 296 L HN 0.326 nan 8.230 nan 0.000 0.449 297 A N -0.009 122.772 122.820 -0.065 0.000 2.119 297 A HA 0.365 4.688 4.320 0.005 0.000 0.216 297 A C 1.300 178.884 177.584 0.001 0.000 1.152 297 A CA 0.885 52.897 52.037 -0.041 0.000 0.708 297 A CB -0.302 18.656 19.000 -0.071 0.000 0.805 297 A HN 0.463 nan 8.150 nan 0.000 0.460 298 G N -1.171 107.642 108.800 0.022 0.000 2.592 298 G HA2 -0.052 3.911 3.960 0.005 0.000 0.684 298 G HA3 -0.052 3.911 3.960 0.005 0.000 0.684 298 G C -0.756 174.173 174.900 0.049 0.000 1.291 298 G CA -0.419 44.711 45.100 0.050 0.000 0.891 298 G HN 0.429 nan 8.290 nan 0.000 0.544 299 K N 0.032 120.461 120.400 0.048 0.000 2.159 299 K HA 0.768 5.091 4.320 0.005 0.000 0.266 299 K C 0.158 176.746 176.600 -0.020 0.000 0.975 299 K CA 0.134 56.435 56.287 0.023 0.000 0.865 299 K CB 1.881 34.381 32.500 0.000 0.000 1.087 299 K HN 1.444 nan 8.250 nan 0.000 0.446 300 A N 1.580 124.384 122.820 -0.026 0.000 2.589 300 A HA 0.676 4.999 4.320 0.005 0.000 0.296 300 A C -1.171 176.460 177.584 0.079 0.000 1.062 300 A CA -0.651 51.329 52.037 -0.095 0.000 0.686 300 A CB 1.827 20.599 19.000 -0.380 0.000 1.282 300 A HN 0.518 nan 8.150 nan 0.000 0.404 301 S N -0.137 115.748 115.700 0.309 0.000 2.661 301 S HA 0.768 5.241 4.470 0.005 0.000 0.285 301 S C -0.180 174.717 174.600 0.494 0.000 1.138 301 S CA -0.586 57.838 58.200 0.374 0.000 0.855 301 S CB 1.183 64.609 63.200 0.376 0.000 1.136 301 S HN 0.657 nan 8.310 nan 0.000 0.484 302 L N 0.994 122.409 121.223 0.320 0.000 2.744 302 L HA 0.663 5.006 4.340 0.005 0.000 0.218 302 L C -0.261 176.710 176.870 0.168 0.000 1.190 302 L CA -0.865 54.088 54.840 0.187 0.000 0.869 302 L CB 0.138 42.212 42.059 0.025 0.000 1.652 302 L HN 0.489 nan 8.230 nan 0.000 0.519 303 V N -3.518 116.386 119.914 -0.015 0.000 2.680 303 V HA 0.181 4.304 4.120 0.005 0.000 0.309 303 V C 0.617 176.632 176.094 -0.131 0.000 1.052 303 V CA -0.901 61.355 62.300 -0.073 0.000 0.908 303 V CB 1.531 33.286 31.823 -0.114 0.000 1.001 303 V HN 0.918 nan 8.190 nan 0.000 0.431 304 W N 2.905 124.068 121.300 -0.230 0.000 2.280 304 W HA -0.325 4.338 4.660 0.005 0.000 0.332 304 W C 1.707 178.067 176.519 -0.266 0.000 1.300 304 W CA 2.920 60.125 57.345 -0.234 0.000 1.274 304 W CB -0.127 29.181 29.460 -0.252 0.000 1.141 304 W HN 1.015 nan 8.180 nan 0.000 0.474 305 D N -0.068 120.010 120.400 -0.536 0.000 2.144 305 D HA -0.269 4.375 4.640 0.005 0.000 0.199 305 D C 2.178 178.109 176.300 -0.616 0.000 0.984 305 D CA 2.026 55.681 54.000 -0.574 0.000 0.834 305 D CB -0.505 40.218 40.800 -0.128 0.000 0.955 305 D HN 0.401 nan 8.370 nan 0.000 0.465 306 E N -0.411 119.282 120.200 -0.844 0.000 2.072 306 E HA -0.195 4.158 4.350 0.005 0.000 0.191 306 E C 1.997 178.239 176.600 -0.596 0.000 0.985 306 E CA 0.997 56.852 56.400 -0.908 0.000 0.801 306 E CB -0.181 28.878 29.700 -1.068 0.000 0.750 306 E HN 0.321 nan 8.360 nan 0.000 0.452 307 A N 1.132 123.619 122.820 -0.556 0.000 1.877 307 A HA -0.249 4.074 4.320 0.005 0.000 0.216 307 A C 2.167 179.416 177.584 -0.557 0.000 1.186 307 A CA 1.760 53.515 52.037 -0.470 0.000 0.620 307 A CB -0.667 18.157 19.000 -0.293 0.000 0.822 307 A HN 0.413 nan 8.150 nan 0.000 0.443 308 Q N -0.700 118.577 119.800 -0.873 0.000 2.119 308 Q HA -0.142 4.201 4.340 0.005 0.000 0.201 308 Q C 2.123 177.846 176.000 -0.461 0.000 0.972 308 Q CA 1.518 56.827 55.803 -0.824 0.000 0.847 308 Q CB -0.098 27.882 28.738 -1.263 0.000 0.903 308 Q HN 0.614 nan 8.270 nan 0.000 0.433 309 K N 0.065 120.209 120.400 -0.427 0.000 2.155 309 K HA -0.114 4.209 4.320 0.005 0.000 0.203 309 K C 1.991 178.444 176.600 -0.245 0.000 1.052 309 K CA 0.434 56.566 56.287 -0.259 0.000 0.948 309 K CB 0.034 32.426 32.500 -0.180 0.000 0.728 309 K HN 0.176 nan 8.250 nan 0.000 0.448 310 L N 1.406 122.434 121.223 -0.324 0.000 2.141 310 L HA -0.132 4.211 4.340 0.005 0.000 0.209 310 L C 2.246 178.969 176.870 -0.245 0.000 1.094 310 L CA 1.994 56.635 54.840 -0.331 0.000 0.763 310 L CB -0.957 40.794 42.059 -0.513 0.000 0.908 310 L HN 0.267 nan 8.230 nan 0.000 0.437 311 T N -4.472 109.942 114.554 -0.233 0.000 2.881 311 T HA -0.067 4.286 4.350 0.005 0.000 0.270 311 T C 1.836 176.470 174.700 -0.111 0.000 1.068 311 T CA 0.979 62.988 62.100 -0.150 0.000 1.131 311 T CB -0.861 67.935 68.868 -0.120 0.000 0.871 311 T HN 0.365 nan 8.240 nan 0.000 0.479 312 G N 1.007 109.737 108.800 -0.117 0.000 2.459 312 G HA2 0.018 3.981 3.960 0.005 0.000 0.213 312 G HA3 0.018 3.981 3.960 0.005 0.000 0.213 312 G C 1.902 176.759 174.900 -0.072 0.000 1.155 312 G CA -0.309 44.740 45.100 -0.084 0.000 0.811 312 G HN 0.318 nan 8.290 nan 0.000 0.534 313 R N 0.181 120.630 120.500 -0.085 0.000 2.153 313 R HA 0.064 4.407 4.340 0.005 0.000 0.218 313 R C -0.187 176.091 176.300 -0.037 0.000 1.072 313 R CA 0.720 56.785 56.100 -0.058 0.000 0.990 313 R CB -0.053 30.208 30.300 -0.065 0.000 0.889 313 R HN 0.317 nan 8.270 nan 0.000 0.452 314 D N -0.573 119.800 120.400 -0.045 0.000 2.584 314 D HA 0.151 4.794 4.640 0.005 0.000 0.238 314 D C -2.136 174.169 176.300 0.009 0.000 1.302 314 D CA -1.691 52.313 54.000 0.007 0.000 0.884 314 D CB 1.129 41.979 40.800 0.085 0.000 1.456 314 D HN -0.184 nan 8.370 nan 0.000 0.528 315 P HA -0.051 nan 4.420 nan 0.000 0.223 315 P C 0.121 177.433 177.300 0.019 0.000 1.144 315 P CA 0.896 63.990 63.100 -0.011 0.000 0.783 315 P CB 0.388 32.078 31.700 -0.016 0.000 0.771 316 D N -1.897 118.524 120.400 0.036 0.000 2.463 316 D HA 0.065 4.708 4.640 0.005 0.000 0.224 316 D C 1.269 177.612 176.300 0.073 0.000 1.174 316 D CA -0.425 53.603 54.000 0.047 0.000 0.829 316 D CB -0.426 40.381 40.800 0.011 0.000 0.993 316 D HN 0.119 nan 8.370 nan 0.000 0.497 317 F N 1.733 121.628 119.950 -0.092 0.000 2.065 317 F HA -0.276 4.254 4.527 0.005 0.000 0.298 317 F C 2.131 177.896 175.800 -0.059 0.000 1.112 317 F CA 1.967 59.901 58.000 -0.110 0.000 1.212 317 F CB -0.073 38.808 39.000 -0.199 0.000 0.975 317 F HN 0.082 nan 8.300 nan 0.000 0.476 318 H N -1.025 117.964 119.070 -0.137 0.000 2.357 318 H HA -0.136 4.423 4.556 0.005 0.000 0.301 318 H C 2.412 177.618 175.328 -0.203 0.000 1.082 318 H CA 1.097 56.904 56.048 -0.402 0.000 1.342 318 H CB -0.203 29.147 29.762 -0.688 0.000 1.389 318 H HN 0.204 nan 8.280 nan 0.000 0.511 319 R N 1.305 121.899 120.500 0.156 0.000 2.091 319 R HA -0.167 4.176 4.340 0.005 0.000 0.238 319 R C 2.440 178.848 176.300 0.180 0.000 1.136 319 R CA 1.542 57.793 56.100 0.251 0.000 0.959 319 R CB -0.091 30.360 30.300 0.250 0.000 0.856 319 R HN 0.212 nan 8.270 nan 0.000 0.437 320 R N 0.314 120.846 120.500 0.052 0.000 2.070 320 R HA -0.209 4.134 4.340 0.005 0.000 0.233 320 R C 2.239 178.551 176.300 0.021 0.000 1.137 320 R CA 2.097 58.211 56.100 0.022 0.000 0.945 320 R CB -0.266 30.001 30.300 -0.055 0.000 0.845 320 R HN 0.272 nan 8.270 nan 0.000 0.430 321 E N 0.634 120.742 120.200 -0.153 0.000 2.085 321 E HA -0.227 4.126 4.350 0.005 0.000 0.194 321 E C 1.864 178.438 176.600 -0.043 0.000 0.994 321 E CA 1.522 57.801 56.400 -0.202 0.000 0.801 321 E CB -0.419 28.982 29.700 -0.499 0.000 0.743 321 E HN 0.352 nan 8.360 nan 0.000 0.453 322 L N -0.048 121.194 121.223 0.031 0.000 2.027 322 L HA -0.057 4.286 4.340 0.005 0.000 0.206 322 L C 2.254 179.221 176.870 0.161 0.000 1.074 322 L CA 1.972 56.871 54.840 0.100 0.000 0.745 322 L CB -0.820 41.354 42.059 0.192 0.000 0.898 322 L HN 0.393 nan 8.230 nan 0.000 0.433 323 W N 1.019 122.355 121.300 0.060 0.000 2.333 323 W HA -0.236 4.427 4.660 0.005 0.000 0.316 323 W C 2.218 178.770 176.519 0.055 0.000 1.215 323 W CA 2.331 59.723 57.345 0.077 0.000 1.278 323 W CB -0.186 29.323 29.460 0.081 0.000 1.154 323 W HN 0.340 nan 8.180 nan 0.000 0.486 324 E N -0.151 120.224 120.200 0.290 0.000 2.152 324 E HA -0.116 4.237 4.350 0.005 0.000 0.192 324 E C 2.322 178.960 176.600 0.063 0.000 0.983 324 E CA 0.951 57.448 56.400 0.161 0.000 0.818 324 E CB -0.329 29.426 29.700 0.093 0.000 0.758 324 E HN 0.191 nan 8.360 nan 0.000 0.467 325 A N 1.253 124.106 122.820 0.056 0.000 1.902 325 A HA -0.169 4.154 4.320 0.005 0.000 0.217 325 A C 2.142 179.772 177.584 0.077 0.000 1.181 325 A CA 1.036 53.102 52.037 0.049 0.000 0.623 325 A CB -0.487 18.535 19.000 0.037 0.000 0.818 325 A HN 0.136 nan 8.150 nan 0.000 0.443 326 I N -0.633 119.992 120.570 0.091 0.000 2.252 326 I HA -0.207 3.966 4.170 0.005 0.000 0.245 326 I C 2.452 178.655 176.117 0.143 0.000 1.102 326 I CA 1.278 62.677 61.300 0.164 0.000 1.385 326 I CB -0.418 37.582 38.000 -0.001 0.000 1.064 326 I HN 0.415 nan 8.210 nan 0.000 0.414 327 E N 0.964 121.194 120.200 0.051 0.000 2.150 327 E HA -0.170 4.183 4.350 0.005 0.000 0.193 327 E C 2.151 178.784 176.600 0.055 0.000 0.985 327 E CA 1.230 57.670 56.400 0.068 0.000 0.814 327 E CB -0.071 29.699 29.700 0.116 0.000 0.752 327 E HN 0.480 nan 8.360 nan 0.000 0.466 328 A N 0.150 122.981 122.820 0.018 0.000 2.208 328 A HA 0.189 4.512 4.320 0.005 0.000 0.209 328 A C 1.711 179.250 177.584 -0.076 0.000 1.161 328 A CA 0.940 52.966 52.037 -0.018 0.000 0.782 328 A CB -0.188 18.790 19.000 -0.036 0.000 0.816 328 A HN 0.333 nan 8.150 nan 0.000 0.477 329 G N -0.476 108.220 108.800 -0.174 0.000 2.143 329 G HA2 -0.199 3.764 3.960 0.005 0.000 0.249 329 G HA3 -0.199 3.764 3.960 0.005 0.000 0.249 329 G C -0.167 174.277 174.900 -0.760 0.000 0.981 329 G CA 0.270 44.967 45.100 -0.671 0.000 0.665 329 G HN 0.435 nan 8.290 nan 0.000 0.528 330 D N 0.771 120.977 120.400 -0.323 0.000 3.134 330 D HA 0.245 4.888 4.640 0.005 0.000 0.248 330 D C 0.899 177.168 176.300 -0.051 0.000 1.273 330 D CA -0.269 53.632 54.000 -0.166 0.000 0.904 330 D CB -0.688 40.110 40.800 -0.004 0.000 1.089 330 D HN 0.483 nan 8.370 nan 0.000 0.478 331 F N 1.416 121.361 119.950 -0.008 0.000 2.593 331 F HA 0.055 4.585 4.527 0.005 0.000 0.393 331 F C -1.370 174.385 175.800 -0.074 0.000 1.037 331 F CA -1.889 56.094 58.000 -0.028 0.000 1.195 331 F CB -0.196 38.800 39.000 -0.007 0.000 1.034 331 F HN -0.122 nan 8.300 nan 0.000 0.552 332 P HA -0.001 nan 4.420 nan 0.000 0.258 332 P C -0.990 176.210 177.300 -0.168 0.000 1.187 332 P CA 0.506 63.548 63.100 -0.097 0.000 0.767 332 P CB 0.371 32.080 31.700 0.015 0.000 0.770 333 E N 2.656 122.638 120.200 -0.364 0.000 2.248 333 E HA 0.445 4.798 4.350 0.005 0.000 0.267 333 E C -1.016 175.296 176.600 -0.481 0.000 0.877 333 E CA -0.592 55.654 56.400 -0.256 0.000 0.759 333 E CB 1.419 31.078 29.700 -0.069 0.000 1.182 333 E HN 0.367 nan 8.360 nan 0.000 0.418 334 Y N 0.388 120.755 120.300 0.112 0.000 2.477 334 Y HA 0.274 4.827 4.550 0.005 0.000 0.347 334 Y C -0.165 175.959 175.900 0.372 0.000 0.981 334 Y CA -0.981 57.259 58.100 0.233 0.000 1.033 334 Y CB 1.963 40.533 38.460 0.183 0.000 1.245 334 Y HN 0.458 nan 8.280 nan 0.000 0.455 335 E N 2.524 123.042 120.200 0.530 0.000 2.175 335 E HA 0.429 4.782 4.350 0.005 0.000 0.278 335 E C -1.563 175.276 176.600 0.399 0.000 0.969 335 E CA -0.976 55.670 56.400 0.410 0.000 0.796 335 E CB 1.168 31.047 29.700 0.298 0.000 1.104 335 E HN 0.606 nan 8.360 nan 0.000 0.395 336 L N 4.117 125.474 121.223 0.224 0.000 2.331 336 L HA 0.539 4.882 4.340 0.005 0.000 0.278 336 L C -0.180 176.562 176.870 -0.214 0.000 1.106 336 L CA 0.401 55.104 54.840 -0.229 0.000 0.824 336 L CB 1.120 42.948 42.059 -0.386 0.000 1.142 336 L HN 0.559 nan 8.230 nan 0.000 0.443 337 G N 4.632 113.337 108.800 -0.159 0.000 2.591 337 G HA2 0.545 4.508 3.960 0.005 0.000 0.306 337 G HA3 0.545 4.508 3.960 0.005 0.000 0.306 337 G C -1.507 173.490 174.900 0.163 0.000 1.334 337 G CA -0.486 44.561 45.100 -0.088 0.000 0.981 337 G HN 0.474 nan 8.290 nan 0.000 0.491 338 F N 0.214 120.160 119.950 -0.007 0.000 2.469 338 F HA 0.402 4.932 4.527 0.005 0.000 0.332 338 F C 0.428 176.203 175.800 -0.043 0.000 1.103 338 F CA -0.972 57.023 58.000 -0.009 0.000 0.979 338 F CB 2.562 41.544 39.000 -0.031 0.000 1.137 338 F HN 0.122 nan 8.300 nan 0.000 0.463 339 Q N 4.341 124.238 119.800 0.163 0.000 2.368 339 Q HA 0.439 4.782 4.340 0.005 0.000 0.256 339 Q C -1.066 174.964 176.000 0.049 0.000 0.980 339 Q CA -0.483 55.368 55.803 0.079 0.000 0.887 339 Q CB 1.966 30.755 28.738 0.086 0.000 1.221 339 Q HN 0.528 nan 8.270 nan 0.000 0.458 340 L N 4.167 125.428 121.223 0.064 0.000 2.295 340 L HA 0.535 4.878 4.340 0.005 0.000 0.285 340 L C -0.634 176.278 176.870 0.070 0.000 1.035 340 L CA -0.732 54.133 54.840 0.040 0.000 0.806 340 L CB 0.854 42.944 42.059 0.051 0.000 1.214 340 L HN 0.485 nan 8.230 nan 0.000 0.426 341 I N 4.556 125.182 120.570 0.094 0.000 2.447 341 I HA 0.411 4.584 4.170 0.005 0.000 0.287 341 I C -2.304 173.910 176.117 0.162 0.000 1.023 341 I CA -1.905 59.495 61.300 0.167 0.000 1.083 341 I CB 1.755 39.881 38.000 0.210 0.000 1.245 341 I HN 0.314 nan 8.210 nan 0.000 0.434 342 P HA 0.070 nan 4.420 nan 0.000 0.269 342 P C 0.695 178.032 177.300 0.063 0.000 1.215 342 P CA -0.216 62.907 63.100 0.038 0.000 0.780 342 P CB 0.827 32.545 31.700 0.031 0.000 0.898 343 E N 1.303 121.447 120.200 -0.094 0.000 2.118 343 E HA -0.268 4.085 4.350 0.005 0.000 0.195 343 E C 0.829 177.488 176.600 0.099 0.000 0.992 343 E CA 1.431 57.766 56.400 -0.109 0.000 0.804 343 E CB 0.003 29.564 29.700 -0.231 0.000 0.741 343 E HN 0.424 nan 8.360 nan 0.000 0.458 344 E N 0.553 120.789 120.200 0.061 0.000 2.409 344 E HA -0.115 4.238 4.350 0.005 0.000 0.198 344 E C 0.547 177.188 176.600 0.069 0.000 1.024 344 E CA 0.936 57.378 56.400 0.071 0.000 0.861 344 E CB 0.118 29.845 29.700 0.045 0.000 0.788 344 E HN 0.261 nan 8.360 nan 0.000 0.521 345 D N 0.000 120.449 120.400 0.081 0.000 2.368 345 D HA -0.009 4.634 4.640 0.005 0.000 0.218 345 D C 1.175 177.492 176.300 0.027 0.000 1.112 345 D CA 0.027 54.053 54.000 0.043 0.000 0.834 345 D CB 0.065 40.904 40.800 0.065 0.000 0.953 345 D HN 0.260 nan 8.370 nan 0.000 0.505 346 E N 0.079 120.239 120.200 -0.066 0.000 2.108 346 E HA -0.221 4.132 4.350 0.005 0.000 0.203 346 E C 0.264 176.529 176.600 -0.558 0.000 1.022 346 E CA 1.300 57.433 56.400 -0.444 0.000 0.823 346 E CB -0.014 29.194 29.700 -0.821 0.000 0.744 346 E HN 0.277 nan 8.360 nan 0.000 0.456 347 F N -0.647 119.311 119.950 0.013 0.000 2.837 347 F HA 0.328 4.858 4.527 0.005 0.000 0.298 347 F C 1.103 176.835 175.800 -0.113 0.000 1.161 347 F CA -0.368 57.612 58.000 -0.033 0.000 1.353 347 F CB 0.605 39.592 39.000 -0.022 0.000 0.951 347 F HN -0.191 nan 8.300 nan 0.000 0.508 348 K N -0.024 120.295 120.400 -0.135 0.000 2.404 348 K HA 0.165 4.489 4.320 0.005 0.000 0.194 348 K C -0.141 176.041 176.600 -0.697 0.000 1.023 348 K CA 0.205 56.244 56.287 -0.412 0.000 1.094 348 K CB 0.262 32.447 32.500 -0.524 0.000 0.841 348 K HN 0.135 nan 8.250 nan 0.000 0.523 349 F N 0.370 120.158 119.950 -0.270 0.000 2.461 349 F HA 0.118 4.648 4.527 0.005 0.000 0.332 349 F C 1.113 176.714 175.800 -0.332 0.000 1.073 349 F CA -1.169 56.573 58.000 -0.430 0.000 1.017 349 F CB 0.591 38.935 39.000 -1.093 0.000 1.301 349 F HN -0.014 nan 8.300 nan 0.000 0.492 350 D N -0.748 119.647 120.400 -0.009 0.000 2.358 350 D HA 0.116 4.759 4.640 0.005 0.000 0.224 350 D C -0.582 175.813 176.300 0.157 0.000 1.123 350 D CA 0.006 54.051 54.000 0.074 0.000 0.833 350 D CB -0.849 40.017 40.800 0.111 0.000 0.946 350 D HN 0.235 nan 8.370 nan 0.000 0.505 351 F N -1.838 118.198 119.950 0.144 0.000 2.631 351 F HA 0.556 5.086 4.527 0.005 0.000 0.328 351 F C -0.350 175.450 175.800 -0.000 0.000 1.067 351 F CA -1.701 56.310 58.000 0.018 0.000 0.969 351 F CB 0.969 39.943 39.000 -0.043 0.000 1.332 351 F HN -0.325 nan 8.300 nan 0.000 0.490 352 D N 1.622 122.069 120.400 0.078 0.000 2.277 352 D HA 0.228 4.872 4.640 0.005 0.000 0.249 352 D C 1.006 177.290 176.300 -0.027 0.000 1.134 352 D CA -0.061 53.937 54.000 -0.003 0.000 0.863 352 D CB 1.564 42.375 40.800 0.018 0.000 1.143 352 D HN 0.738 nan 8.370 nan 0.000 0.458 353 L N 3.462 124.613 121.223 -0.119 0.000 2.131 353 L HA -0.154 4.189 4.340 0.005 0.000 0.210 353 L C 2.150 178.913 176.870 -0.178 0.000 1.092 353 L CA 0.778 55.514 54.840 -0.172 0.000 0.759 353 L CB -0.116 41.693 42.059 -0.416 0.000 0.903 353 L HN 0.466 nan 8.230 nan 0.000 0.435 354 L N -0.815 120.328 121.223 -0.134 0.000 2.610 354 L HA -0.022 4.321 4.340 0.005 0.000 0.232 354 L C 0.534 177.346 176.870 -0.096 0.000 1.149 354 L CA -0.017 54.804 54.840 -0.031 0.000 0.872 354 L CB -0.437 41.720 42.059 0.163 0.000 0.992 354 L HN 0.151 nan 8.230 nan 0.000 0.447 355 D N 1.634 121.739 120.400 -0.493 0.000 2.339 355 D HA 0.098 4.741 4.640 0.005 0.000 0.241 355 D C -1.523 174.550 176.300 -0.380 0.000 1.183 355 D CA -2.331 51.128 54.000 -0.902 0.000 0.859 355 D CB 1.463 41.493 40.800 -1.283 0.000 1.067 355 D HN -0.067 nan 8.370 nan 0.000 0.484 356 P HA -0.056 nan 4.420 nan 0.000 0.237 356 P C 0.829 178.029 177.300 -0.166 0.000 1.178 356 P CA 0.721 63.749 63.100 -0.120 0.000 0.766 356 P CB -0.024 31.696 31.700 0.034 0.000 0.876 357 T N -4.506 109.940 114.554 -0.181 0.000 3.122 357 T HA 0.184 4.537 4.350 0.005 0.000 0.250 357 T C 0.620 175.229 174.700 -0.151 0.000 1.067 357 T CA -0.228 61.785 62.100 -0.146 0.000 0.966 357 T CB -0.173 68.654 68.868 -0.068 0.000 1.002 357 T HN -0.148 nan 8.240 nan 0.000 0.542 358 K N 2.097 122.307 120.400 -0.318 0.000 2.324 358 K HA 0.587 4.910 4.320 0.005 0.000 0.253 358 K C -0.515 175.862 176.600 -0.371 0.000 0.932 358 K CA -0.847 55.111 56.287 -0.548 0.000 0.799 358 K CB 2.350 34.384 32.500 -0.777 0.000 1.154 358 K HN 0.295 nan 8.250 nan 0.000 0.425 359 L N -0.472 120.664 121.223 -0.146 0.000 2.352 359 L HA 0.656 4.999 4.340 0.005 0.000 0.269 359 L C -0.042 176.604 176.870 -0.374 0.000 1.034 359 L CA -0.534 54.191 54.840 -0.192 0.000 0.806 359 L CB 0.435 42.468 42.059 -0.042 0.000 1.244 359 L HN 0.457 nan 8.230 nan 0.000 0.447 360 I N 2.171 122.616 120.570 -0.210 0.000 2.291 360 I HA 0.343 4.516 4.170 0.005 0.000 0.290 360 I C -2.068 174.055 176.117 0.010 0.000 1.050 360 I CA -1.723 59.515 61.300 -0.104 0.000 1.245 360 I CB 1.092 39.065 38.000 -0.046 0.000 1.405 360 I HN 0.465 nan 8.210 nan 0.000 0.478 361 P HA 0.035 nan 4.420 nan 0.000 0.264 361 P C 0.250 177.616 177.300 0.109 0.000 1.193 361 P CA 0.091 63.237 63.100 0.076 0.000 0.763 361 P CB 0.593 32.329 31.700 0.060 0.000 0.810 362 E N 1.632 121.905 120.200 0.121 0.000 2.265 362 E HA -0.190 4.163 4.350 0.005 0.000 0.196 362 E C 1.451 178.105 176.600 0.089 0.000 0.996 362 E CA 0.752 57.212 56.400 0.100 0.000 0.832 362 E CB -0.019 29.739 29.700 0.097 0.000 0.756 362 E HN 0.509 nan 8.360 nan 0.000 0.491 363 E N 0.376 120.630 120.200 0.091 0.000 2.153 363 E HA -0.151 4.202 4.350 0.005 0.000 0.194 363 E C 2.086 178.750 176.600 0.106 0.000 0.988 363 E CA 0.781 57.231 56.400 0.084 0.000 0.811 363 E CB 0.050 29.794 29.700 0.074 0.000 0.746 363 E HN 0.372 nan 8.360 nan 0.000 0.466 364 L N -0.161 121.149 121.223 0.144 0.000 2.102 364 L HA 0.008 4.351 4.340 0.005 0.000 0.202 364 L C 0.772 177.761 176.870 0.199 0.000 1.076 364 L CA 0.596 55.560 54.840 0.206 0.000 0.761 364 L CB 0.224 42.487 42.059 0.339 0.000 0.921 364 L HN -0.182 nan 8.230 nan 0.000 0.444 365 V N 1.251 121.262 119.914 0.161 0.000 2.398 365 V HA 0.309 4.432 4.120 0.005 0.000 0.282 365 V C -2.378 173.762 176.094 0.077 0.000 1.014 365 V CA -1.474 60.903 62.300 0.128 0.000 0.838 365 V CB 1.366 33.258 31.823 0.116 0.000 1.018 365 V HN -0.018 nan 8.190 nan 0.000 0.432 366 P HA 0.190 nan 4.420 nan 0.000 0.272 366 P C -0.298 176.998 177.300 -0.007 0.000 1.223 366 P CA -0.019 63.099 63.100 0.029 0.000 0.784 366 P CB 1.371 33.093 31.700 0.036 0.000 0.923 367 V N 3.215 123.090 119.914 -0.064 0.000 2.461 367 V HA 0.096 4.219 4.120 0.005 0.000 0.275 367 V C 0.881 176.952 176.094 -0.038 0.000 1.047 367 V CA 0.005 62.228 62.300 -0.127 0.000 0.955 367 V CB 0.382 32.022 31.823 -0.306 0.000 0.988 367 V HN 0.545 nan 8.190 nan 0.000 0.471 368 Q N 5.638 125.434 119.800 -0.006 0.000 2.294 368 Q HA 0.297 4.640 4.340 0.005 0.000 0.257 368 Q C -0.163 175.814 176.000 -0.040 0.000 0.955 368 Q CA -0.657 55.148 55.803 0.003 0.000 0.936 368 Q CB 0.600 29.355 28.738 0.029 0.000 1.188 368 Q HN 0.638 nan 8.270 nan 0.000 0.420 369 R N 2.966 123.479 120.500 0.023 0.000 2.404 369 R HA 0.057 4.400 4.340 0.005 0.000 0.315 369 R C 0.213 176.536 176.300 0.039 0.000 1.032 369 R CA -0.191 55.959 56.100 0.084 0.000 0.992 369 R CB 0.680 31.118 30.300 0.230 0.000 0.959 369 R HN 0.471 nan 8.270 nan 0.000 0.428 370 V N 1.688 121.469 119.914 -0.222 0.000 3.572 370 V HA 0.265 4.388 4.120 0.005 0.000 0.260 370 V C 0.701 176.461 176.094 -0.558 0.000 1.324 370 V CA 1.033 63.118 62.300 -0.359 0.000 1.068 370 V CB 1.157 32.544 31.823 -0.726 0.000 0.837 370 V HN 1.027 nan 8.190 nan 0.000 0.450 371 G N -0.247 108.035 108.800 -0.863 0.000 2.495 371 G HA2 0.510 4.473 3.960 0.005 0.000 0.294 371 G HA3 0.510 4.473 3.960 0.005 0.000 0.294 371 G C -1.792 172.754 174.900 -0.590 0.000 1.397 371 G CA -0.534 43.972 45.100 -0.991 0.000 0.790 371 G HN 0.027 nan 8.290 nan 0.000 0.486 372 K N -0.494 119.713 120.400 -0.322 0.000 2.468 372 K HA 0.710 5.033 4.320 0.005 0.000 0.252 372 K C -0.974 175.733 176.600 0.178 0.000 0.932 372 K CA -0.800 55.546 56.287 0.097 0.000 0.794 372 K CB 2.217 34.816 32.500 0.165 0.000 1.241 372 K HN 0.610 nan 8.250 nan 0.000 0.428 373 M N 4.532 124.326 119.600 0.324 0.000 2.364 373 M HA 0.419 4.902 4.480 0.005 0.000 0.334 373 M C -1.671 174.592 176.300 -0.063 0.000 1.107 373 M CA -0.771 54.620 55.300 0.152 0.000 0.988 373 M CB 1.725 34.390 32.600 0.109 0.000 1.673 373 M HN 0.375 nan 8.290 nan 0.000 0.441 374 V N 5.615 125.323 119.914 -0.344 0.000 2.487 374 V HA 0.414 4.537 4.120 0.005 0.000 0.298 374 V C -0.881 175.072 176.094 -0.234 0.000 1.028 374 V CA -0.850 61.269 62.300 -0.302 0.000 0.860 374 V CB 1.707 33.246 31.823 -0.474 0.000 0.991 374 V HN 0.659 nan 8.190 nan 0.000 0.427 375 L N 6.035 127.201 121.223 -0.096 0.000 2.261 375 L HA 0.460 4.803 4.340 0.005 0.000 0.289 375 L C 0.750 177.484 176.870 -0.227 0.000 1.059 375 L CA 0.197 54.979 54.840 -0.097 0.000 0.816 375 L CB 0.888 42.952 42.059 0.009 0.000 1.191 375 L HN 0.868 nan 8.230 nan 0.000 0.431 376 N N 2.333 120.822 118.700 -0.351 0.000 2.194 376 N HA 0.148 4.891 4.740 0.005 0.000 0.231 376 N C 0.042 175.321 175.510 -0.386 0.000 1.247 376 N CA -0.233 52.342 53.050 -0.792 0.000 0.884 376 N CB 0.702 38.506 38.487 -1.139 0.000 1.146 376 N HN 0.374 nan 8.380 nan 0.000 0.516 377 R N 0.390 120.785 120.500 -0.176 0.000 2.522 377 R HA 0.281 4.624 4.340 0.005 0.000 0.273 377 R C -1.212 175.016 176.300 -0.119 0.000 1.133 377 R CA -0.543 55.478 56.100 -0.132 0.000 0.969 377 R CB 1.254 31.488 30.300 -0.110 0.000 1.235 377 R HN 0.068 nan 8.270 nan 0.000 0.433 378 N N 3.005 121.513 118.700 -0.321 0.000 2.399 378 N HA 0.227 4.970 4.740 0.005 0.000 0.250 378 N C -2.298 173.144 175.510 -0.114 0.000 1.272 378 N CA -1.174 51.563 53.050 -0.521 0.000 0.928 378 N CB 0.350 37.845 38.487 -1.655 0.000 1.158 378 N HN 0.272 nan 8.380 nan 0.000 0.463 379 P HA 0.097 nan 4.420 nan 0.000 0.272 379 P C 0.249 177.718 177.300 0.282 0.000 1.254 379 P CA -0.070 63.221 63.100 0.319 0.000 0.795 379 P CB 0.783 32.730 31.700 0.411 0.000 1.022 380 D N -1.208 119.336 120.400 0.241 0.000 2.269 380 D HA -0.007 4.637 4.640 0.005 0.000 0.220 380 D C 0.320 176.788 176.300 0.280 0.000 0.962 380 D CA 1.312 55.450 54.000 0.230 0.000 0.884 380 D CB 0.108 40.985 40.800 0.128 0.000 1.023 380 D HN 0.356 nan 8.370 nan 0.000 0.484 381 N N -0.084 118.776 118.700 0.267 0.000 2.461 381 N HA 0.015 4.758 4.740 0.005 0.000 0.284 381 N C 0.127 175.848 175.510 0.353 0.000 1.049 381 N CA -0.318 52.906 53.050 0.290 0.000 0.889 381 N CB 1.465 40.091 38.487 0.232 0.000 1.365 381 N HN -0.156 nan 8.380 nan 0.000 0.499 382 F N 4.362 124.467 119.950 0.260 0.000 2.065 382 F HA -0.234 4.296 4.527 0.005 0.000 0.298 382 F C 1.720 177.658 175.800 0.229 0.000 1.112 382 F CA 1.698 59.854 58.000 0.260 0.000 1.212 382 F CB -0.156 38.973 39.000 0.215 0.000 0.975 382 F HN 0.612 nan 8.300 nan 0.000 0.476 383 F N 0.844 121.065 119.950 0.451 0.000 2.069 383 F HA -0.227 4.303 4.527 0.005 0.000 0.298 383 F C 2.361 178.239 175.800 0.129 0.000 1.113 383 F CA 1.989 60.160 58.000 0.285 0.000 1.214 383 F CB -0.986 38.137 39.000 0.204 0.000 0.978 383 F HN 0.025 nan 8.300 nan 0.000 0.474 384 A N -0.381 122.599 122.820 0.267 0.000 1.908 384 A HA -0.206 4.117 4.320 0.005 0.000 0.218 384 A C 2.051 179.590 177.584 -0.075 0.000 1.181 384 A CA 2.170 54.271 52.037 0.107 0.000 0.627 384 A CB -0.699 18.401 19.000 0.167 0.000 0.818 384 A HN 0.629 nan 8.150 nan 0.000 0.445 385 E N -1.767 118.401 120.200 -0.054 0.000 2.244 385 E HA -0.040 4.313 4.350 0.005 0.000 0.196 385 E C 1.861 178.399 176.600 -0.102 0.000 0.939 385 E CA 0.415 56.717 56.400 -0.163 0.000 0.884 385 E CB -0.057 29.591 29.700 -0.087 0.000 0.850 385 E HN 0.586 nan 8.360 nan 0.000 0.481 386 N N 1.373 120.004 118.700 -0.116 0.000 2.333 386 N HA -0.133 4.610 4.740 0.005 0.000 0.183 386 N C 1.778 177.126 175.510 -0.270 0.000 1.030 386 N CA 1.190 54.113 53.050 -0.213 0.000 0.867 386 N CB 0.183 38.191 38.487 -0.800 0.000 1.027 386 N HN -0.062 nan 8.380 nan 0.000 0.435 387 E N 0.862 120.863 120.200 -0.331 0.000 2.077 387 E HA -0.094 4.259 4.350 0.005 0.000 0.193 387 E C 1.625 178.041 176.600 -0.307 0.000 0.989 387 E CA 1.500 57.756 56.400 -0.241 0.000 0.800 387 E CB -0.144 29.429 29.700 -0.211 0.000 0.746 387 E HN 0.492 nan 8.360 nan 0.000 0.452 388 Q N -0.173 119.378 119.800 -0.415 0.000 2.444 388 Q HA 0.217 4.560 4.340 0.005 0.000 0.206 388 Q C 0.035 175.918 176.000 -0.195 0.000 0.948 388 Q CA 0.229 55.845 55.803 -0.312 0.000 0.946 388 Q CB 0.377 28.916 28.738 -0.332 0.000 1.027 388 Q HN 0.219 nan 8.270 nan 0.000 0.513 389 A N 1.267 123.990 122.820 -0.161 0.000 2.511 389 A HA 0.424 4.747 4.320 0.005 0.000 0.242 389 A C -0.081 177.361 177.584 -0.235 0.000 1.069 389 A CA 0.227 52.135 52.037 -0.215 0.000 0.763 389 A CB 0.219 19.150 19.000 -0.114 0.000 1.001 389 A HN 0.278 nan 8.150 nan 0.000 0.498 390 A N 2.730 125.360 122.820 -0.317 0.000 2.363 390 A HA 0.674 4.998 4.320 0.005 0.000 0.296 390 A C -0.698 176.753 177.584 -0.222 0.000 1.237 390 A CA -0.456 51.470 52.037 -0.186 0.000 0.773 390 A CB 0.162 19.088 19.000 -0.122 0.000 1.153 390 A HN 0.630 nan 8.150 nan 0.000 0.473 391 F N 1.546 121.493 119.950 -0.004 0.000 2.397 391 F HA 0.627 5.158 4.527 0.005 0.000 0.331 391 F C 0.525 176.276 175.800 -0.082 0.000 1.090 391 F CA -0.091 57.886 58.000 -0.038 0.000 1.065 391 F CB 1.479 40.408 39.000 -0.119 0.000 1.184 391 F HN 0.665 nan 8.300 nan 0.000 0.499 392 H N 3.571 122.506 119.070 -0.226 0.000 3.042 392 H HA 0.291 4.850 4.556 0.005 0.000 0.345 392 H C -2.378 172.627 175.328 -0.538 0.000 1.052 392 H CA -2.774 52.896 56.048 -0.631 0.000 1.311 392 H CB 2.517 31.718 29.762 -0.934 0.000 1.810 392 H HN 0.162 nan 8.280 nan 0.000 0.505 393 P HA -0.050 nan 4.420 nan 0.000 0.220 393 P C 1.202 178.404 177.300 -0.163 0.000 1.148 393 P CA 1.496 64.425 63.100 -0.285 0.000 0.803 393 P CB 0.089 31.645 31.700 -0.238 0.000 0.782 394 G N -1.536 106.887 108.800 -0.629 0.000 2.744 394 G HA2 -0.129 3.834 3.960 0.005 0.000 0.211 394 G HA3 -0.129 3.834 3.960 0.005 0.000 0.211 394 G C 0.351 175.143 174.900 -0.180 0.000 1.143 394 G CA -0.043 44.786 45.100 -0.451 0.000 0.788 394 G HN 0.412 nan 8.290 nan 0.000 0.534 395 H N 0.749 119.678 119.070 -0.236 0.000 3.109 395 H HA 0.354 4.913 4.556 0.005 0.000 0.266 395 H C 0.452 175.810 175.328 0.050 0.000 1.334 395 H CA -0.685 55.316 56.048 -0.078 0.000 1.456 395 H CB 0.029 29.760 29.762 -0.051 0.000 1.587 395 H HN 0.357 nan 8.280 nan 0.000 0.500 396 I N -0.052 120.575 120.570 0.095 0.000 3.170 396 I HA 0.711 4.884 4.170 0.005 0.000 0.312 396 I C -0.395 175.680 176.117 -0.070 0.000 1.085 396 I CA -1.452 59.846 61.300 -0.002 0.000 0.999 396 I CB 2.071 39.961 38.000 -0.184 0.000 1.233 396 I HN 0.110 nan 8.210 nan 0.000 0.467 397 V N -2.029 117.837 119.914 -0.081 0.000 3.040 397 V HA 0.632 4.755 4.120 0.005 0.000 0.312 397 V C -2.820 173.356 176.094 0.137 0.000 1.115 397 V CA -2.591 59.728 62.300 0.031 0.000 0.998 397 V CB 1.059 32.888 31.823 0.011 0.000 1.042 397 V HN 0.608 nan 8.190 nan 0.000 0.433 398 P HA 0.291 nan 4.420 nan 0.000 0.258 398 P C 0.940 178.220 177.300 -0.033 0.000 1.172 398 P CA 2.011 65.164 63.100 0.088 0.000 0.762 398 P CB 0.311 32.045 31.700 0.057 0.000 0.764 399 G N 2.087 110.819 108.800 -0.113 0.000 2.336 399 G HA2 -0.127 3.836 3.960 0.005 0.000 0.194 399 G HA3 -0.127 3.836 3.960 0.005 0.000 0.194 399 G C -0.312 174.478 174.900 -0.183 0.000 0.999 399 G CA -0.474 44.538 45.100 -0.146 0.000 0.669 399 G HN 0.445 nan 8.290 nan 0.000 0.482 400 L N 0.175 121.302 121.223 -0.160 0.000 2.309 400 L HA 0.917 5.260 4.340 0.005 0.000 0.261 400 L C -0.616 176.179 176.870 -0.125 0.000 1.021 400 L CA -1.041 53.686 54.840 -0.188 0.000 0.823 400 L CB 2.186 44.058 42.059 -0.312 0.000 1.366 400 L HN 0.096 nan 8.230 nan 0.000 0.423 401 D N -0.884 119.435 120.400 -0.136 0.000 2.692 401 D HA 0.463 5.107 4.640 0.005 0.000 0.303 401 D C -1.247 174.986 176.300 -0.111 0.000 1.278 401 D CA -0.338 53.553 54.000 -0.182 0.000 0.852 401 D CB 1.971 42.742 40.800 -0.048 0.000 1.375 401 D HN 0.124 nan 8.370 nan 0.000 0.453 402 F N -0.197 119.892 119.950 0.232 0.000 2.362 402 F HA 0.555 5.085 4.527 0.005 0.000 0.340 402 F C 1.395 177.246 175.800 0.085 0.000 1.088 402 F CA -0.285 57.807 58.000 0.154 0.000 1.096 402 F CB 0.945 39.992 39.000 0.079 0.000 1.486 402 F HN 0.224 nan 8.300 nan 0.000 0.500 403 T N -3.357 111.321 114.554 0.207 0.000 2.804 403 T HA 0.304 4.657 4.350 0.005 0.000 0.290 403 T C -0.168 174.575 174.700 0.071 0.000 1.099 403 T CA -0.968 61.215 62.100 0.138 0.000 1.011 403 T CB 1.250 70.170 68.868 0.087 0.000 1.291 403 T HN 0.338 nan 8.240 nan 0.000 0.523 404 N N 1.074 119.817 118.700 0.073 0.000 2.461 404 N HA 0.045 4.788 4.740 0.005 0.000 0.188 404 N C 0.117 175.643 175.510 0.025 0.000 1.134 404 N CA 0.137 53.215 53.050 0.047 0.000 0.878 404 N CB -0.438 38.092 38.487 0.072 0.000 0.972 404 N HN 0.703 nan 8.380 nan 0.000 0.456 405 D N 2.203 122.600 120.400 -0.004 0.000 2.662 405 D HA -0.084 4.559 4.640 0.005 0.000 0.237 405 D C -1.445 174.853 176.300 -0.003 0.000 1.154 405 D CA -0.919 53.096 54.000 0.024 0.000 0.861 405 D CB 1.230 41.985 40.800 -0.075 0.000 1.146 405 D HN 0.130 nan 8.370 nan 0.000 0.518 406 P HA -0.097 nan 4.420 nan 0.000 0.226 406 P C 1.472 178.802 177.300 0.048 0.000 1.153 406 P CA 0.311 63.441 63.100 0.049 0.000 0.777 406 P CB 0.297 32.025 31.700 0.047 0.000 0.794 407 L N -0.858 120.412 121.223 0.078 0.000 2.168 407 L HA 0.060 4.403 4.340 0.005 0.000 0.203 407 L C 2.233 179.066 176.870 -0.062 0.000 1.078 407 L CA 1.063 55.949 54.840 0.077 0.000 0.780 407 L CB -1.262 40.917 42.059 0.199 0.000 0.939 407 L HN -0.187 nan 8.230 nan 0.000 0.451 408 L N -0.555 120.489 121.223 -0.298 0.000 2.046 408 L HA -0.198 4.146 4.340 0.005 0.000 0.208 408 L C 2.426 179.093 176.870 -0.337 0.000 1.077 408 L CA 1.757 56.231 54.840 -0.611 0.000 0.747 408 L CB -0.848 40.478 42.059 -1.220 0.000 0.896 408 L HN 0.348 nan 8.230 nan 0.000 0.432 409 Q N -0.106 119.552 119.800 -0.236 0.000 2.112 409 Q HA -0.173 4.170 4.340 0.005 0.000 0.206 409 Q C 2.087 178.027 176.000 -0.099 0.000 0.987 409 Q CA 1.789 57.489 55.803 -0.172 0.000 0.858 409 Q CB -0.732 27.946 28.738 -0.100 0.000 0.905 409 Q HN 0.724 nan 8.270 nan 0.000 0.420 410 G N 0.646 109.417 108.800 -0.047 0.000 2.403 410 G HA2 -0.213 3.750 3.960 0.005 0.000 0.216 410 G HA3 -0.213 3.750 3.960 0.005 0.000 0.216 410 G C 1.483 176.420 174.900 0.061 0.000 1.154 410 G CA 0.206 45.319 45.100 0.021 0.000 0.784 410 G HN 0.248 nan 8.290 nan 0.000 0.538 411 R N -0.033 120.469 120.500 0.003 0.000 2.139 411 R HA -0.035 4.308 4.340 0.005 0.000 0.243 411 R C 2.487 178.904 176.300 0.196 0.000 1.145 411 R CA 0.997 57.166 56.100 0.114 0.000 0.976 411 R CB -0.493 29.856 30.300 0.082 0.000 0.866 411 R HN 0.354 nan 8.270 nan 0.000 0.449 412 L N -0.603 120.640 121.223 0.033 0.000 2.131 412 L HA -0.171 4.172 4.340 0.005 0.000 0.210 412 L C 2.248 179.241 176.870 0.204 0.000 1.092 412 L CA 0.978 55.832 54.840 0.024 0.000 0.759 412 L CB -0.402 41.485 42.059 -0.287 0.000 0.903 412 L HN 0.148 nan 8.230 nan 0.000 0.435 413 F N 0.017 119.989 119.950 0.037 0.000 2.149 413 F HA -0.155 4.375 4.527 0.005 0.000 0.294 413 F C 2.775 178.574 175.800 -0.001 0.000 1.095 413 F CA 1.503 59.518 58.000 0.025 0.000 1.276 413 F CB -0.260 38.740 39.000 0.000 0.000 1.023 413 F HN -0.067 nan 8.300 nan 0.000 0.480 414 S N -0.575 115.081 115.700 -0.074 0.000 2.356 414 S HA -0.229 4.244 4.470 0.005 0.000 0.223 414 S C 2.102 176.462 174.600 -0.401 0.000 1.032 414 S CA 1.662 59.711 58.200 -0.252 0.000 1.005 414 S CB -0.831 62.291 63.200 -0.130 0.000 0.867 414 S HN 0.533 nan 8.310 nan 0.000 0.449 415 Y N 1.723 121.716 120.300 -0.511 0.000 2.224 415 Y HA -0.111 4.442 4.550 0.005 0.000 0.289 415 Y C 3.003 178.403 175.900 -0.833 0.000 1.146 415 Y CA 1.584 59.259 58.100 -0.708 0.000 1.182 415 Y CB -1.030 36.933 38.460 -0.828 0.000 0.983 415 Y HN 0.271 nan 8.280 nan 0.000 0.524 416 T N -0.520 113.593 114.554 -0.736 0.000 2.674 416 T HA -0.233 4.120 4.350 0.005 0.000 0.265 416 T C 1.448 175.924 174.700 -0.374 0.000 1.039 416 T CA 1.728 63.570 62.100 -0.430 0.000 1.150 416 T CB -0.525 68.232 68.868 -0.184 0.000 0.864 416 T HN 0.363 nan 8.240 nan 0.000 0.427 417 D N 0.504 120.625 120.400 -0.465 0.000 2.092 417 D HA -0.123 4.520 4.640 0.005 0.000 0.193 417 D C 2.312 178.439 176.300 -0.288 0.000 0.994 417 D CA 1.675 55.429 54.000 -0.410 0.000 0.828 417 D CB -0.537 39.852 40.800 -0.686 0.000 0.963 417 D HN 0.267 nan 8.370 nan 0.000 0.450 418 T N -1.108 113.262 114.554 -0.306 0.000 2.881 418 T HA -0.145 4.208 4.350 0.005 0.000 0.270 418 T C 1.844 176.404 174.700 -0.233 0.000 1.068 418 T CA 1.390 63.352 62.100 -0.230 0.000 1.131 418 T CB -0.225 68.502 68.868 -0.234 0.000 0.871 418 T HN 0.214 nan 8.240 nan 0.000 0.479 419 Q N -0.181 119.417 119.800 -0.336 0.000 2.224 419 Q HA 0.006 4.349 4.340 0.005 0.000 0.203 419 Q C 2.119 177.946 176.000 -0.289 0.000 0.970 419 Q CA 0.885 56.427 55.803 -0.435 0.000 0.865 419 Q CB -0.041 28.171 28.738 -0.877 0.000 0.922 419 Q HN 0.459 nan 8.270 nan 0.000 0.445 420 I N 0.354 120.817 120.570 -0.178 0.000 2.361 420 I HA -0.221 3.952 4.170 0.005 0.000 0.251 420 I C 2.311 178.413 176.117 -0.025 0.000 1.133 420 I CA 1.554 62.832 61.300 -0.038 0.000 1.413 420 I CB -1.155 36.833 38.000 -0.019 0.000 1.073 420 I HN 0.229 nan 8.210 nan 0.000 0.424 421 S N 0.169 115.837 115.700 -0.054 0.000 2.412 421 S HA -0.051 4.422 4.470 0.005 0.000 0.223 421 S C 2.158 176.741 174.600 -0.029 0.000 1.048 421 S CA 0.060 58.243 58.200 -0.027 0.000 0.954 421 S CB -0.337 62.849 63.200 -0.022 0.000 0.840 421 S HN 0.260 nan 8.310 nan 0.000 0.503 422 R N 1.022 121.486 120.500 -0.059 0.000 2.096 422 R HA 0.069 4.412 4.340 0.005 0.000 0.240 422 R C 1.315 177.594 176.300 -0.036 0.000 1.139 422 R CA 1.724 57.794 56.100 -0.051 0.000 0.952 422 R CB -0.383 29.865 30.300 -0.086 0.000 0.854 422 R HN 0.473 nan 8.270 nan 0.000 0.436 423 L N -0.688 120.505 121.223 -0.051 0.000 2.818 423 L HA 0.327 4.670 4.340 0.005 0.000 0.243 423 L C 0.891 177.778 176.870 0.028 0.000 1.185 423 L CA 0.256 55.088 54.840 -0.013 0.000 0.988 423 L CB 1.066 43.117 42.059 -0.013 0.000 1.292 423 L HN 0.557 nan 8.230 nan 0.000 0.519 424 G N -0.099 108.715 108.800 0.024 0.000 2.155 424 G HA2 -0.119 3.844 3.960 0.005 0.000 0.257 424 G HA3 -0.119 3.844 3.960 0.005 0.000 0.257 424 G C 0.435 175.373 174.900 0.064 0.000 0.983 424 G CA 0.043 45.165 45.100 0.037 0.000 0.676 424 G HN 0.789 nan 8.290 nan 0.000 0.528 425 G N -1.873 106.986 108.800 0.099 0.000 2.320 425 G HA2 0.642 4.605 3.960 0.005 0.000 0.297 425 G HA3 0.642 4.605 3.960 0.005 0.000 0.297 425 G C -1.964 173.079 174.900 0.238 0.000 1.344 425 G CA 0.344 45.522 45.100 0.130 0.000 0.851 425 G HN 0.347 nan 8.290 nan 0.000 0.567 426 P HA 0.051 nan 4.420 nan 0.000 0.236 426 P C 0.413 177.772 177.300 0.099 0.000 1.177 426 P CA 0.494 63.728 63.100 0.223 0.000 0.773 426 P CB 0.239 32.020 31.700 0.135 0.000 0.878 427 N N 0.366 119.099 118.700 0.054 0.000 2.327 427 N HA 0.059 4.802 4.740 0.005 0.000 0.231 427 N C 1.029 176.365 175.510 -0.290 0.000 1.130 427 N CA -0.150 52.815 53.050 -0.142 0.000 0.845 427 N CB -0.594 37.840 38.487 -0.089 0.000 1.073 427 N HN 0.286 nan 8.380 nan 0.000 0.496 428 F N 0.671 120.616 119.950 -0.007 0.000 2.408 428 F HA -0.073 4.457 4.527 0.005 0.000 0.300 428 F C 2.199 177.941 175.800 -0.097 0.000 1.090 428 F CA 0.680 58.643 58.000 -0.061 0.000 1.427 428 F CB -0.720 38.263 39.000 -0.030 0.000 1.070 428 F HN 0.171 nan 8.300 nan 0.000 0.549 429 H N 0.368 118.993 119.070 -0.741 0.000 2.555 429 H HA 0.109 4.668 4.556 0.005 0.000 0.269 429 H C 0.754 175.905 175.328 -0.294 0.000 0.988 429 H CA 1.158 56.914 56.048 -0.487 0.000 1.178 429 H CB -0.682 28.674 29.762 -0.677 0.000 1.373 429 H HN 0.527 nan 8.280 nan 0.000 0.588 430 E N 0.910 120.655 120.200 -0.760 0.000 2.479 430 E HA 0.198 4.551 4.350 0.005 0.000 0.193 430 E C 0.154 176.633 176.600 -0.202 0.000 1.049 430 E CA -0.254 55.889 56.400 -0.429 0.000 0.870 430 E CB 0.561 30.025 29.700 -0.392 0.000 0.944 430 E HN 0.446 nan 8.360 nan 0.000 0.492 431 I N 2.475 122.942 120.570 -0.172 0.000 2.452 431 I HA 0.008 4.181 4.170 0.005 0.000 0.287 431 I C -1.565 174.490 176.117 -0.103 0.000 1.079 431 I CA -1.888 59.348 61.300 -0.105 0.000 1.387 431 I CB 0.839 38.793 38.000 -0.077 0.000 1.404 431 I HN -0.210 nan 8.210 nan 0.000 0.522 432 P HA -0.271 nan 4.420 nan 0.000 0.219 432 P C 1.720 178.947 177.300 -0.123 0.000 1.161 432 P CA 1.434 64.478 63.100 -0.094 0.000 0.909 432 P CB 0.181 31.834 31.700 -0.077 0.000 0.793 433 I N -0.951 119.521 120.570 -0.165 0.000 2.361 433 I HA -0.192 3.981 4.170 0.005 0.000 0.251 433 I C 1.445 177.477 176.117 -0.142 0.000 1.133 433 I CA 1.697 62.846 61.300 -0.251 0.000 1.413 433 I CB -0.715 37.026 38.000 -0.432 0.000 1.073 433 I HN -0.108 nan 8.210 nan 0.000 0.424 434 N N 0.554 119.193 118.700 -0.101 0.000 2.416 434 N HA 0.021 4.764 4.740 0.005 0.000 0.177 434 N C 0.431 175.949 175.510 0.013 0.000 1.036 434 N CA 0.228 53.250 53.050 -0.047 0.000 0.901 434 N CB -0.198 38.281 38.487 -0.013 0.000 0.976 434 N HN 0.340 nan 8.380 nan 0.000 0.444 435 R N 1.683 122.177 120.500 -0.010 0.000 2.583 435 R HA 0.030 4.373 4.340 0.005 0.000 0.274 435 R C -2.172 174.186 176.300 0.096 0.000 0.998 435 R CA -0.822 55.279 56.100 0.001 0.000 1.081 435 R CB -0.210 30.077 30.300 -0.022 0.000 0.940 435 R HN 0.098 nan 8.270 nan 0.000 0.413 436 P HA -0.003 nan 4.420 nan 0.000 0.269 436 P C 0.443 177.814 177.300 0.118 0.000 1.215 436 P CA 0.002 63.176 63.100 0.123 0.000 0.780 436 P CB 0.667 32.397 31.700 0.050 0.000 0.898 437 T N -3.096 111.540 114.554 0.137 0.000 3.060 437 T HA 0.100 4.453 4.350 0.005 0.000 0.249 437 T C 0.833 175.576 174.700 0.071 0.000 1.079 437 T CA -0.061 62.074 62.100 0.057 0.000 1.013 437 T CB -1.029 67.844 68.868 0.009 0.000 0.975 437 T HN 0.580 nan 8.240 nan 0.000 0.518 438 C N 1.145 120.503 119.300 0.096 0.000 2.335 438 C HA 0.810 5.273 4.460 0.005 0.000 0.363 438 C C -2.446 172.606 174.990 0.104 0.000 1.198 438 C CA -2.644 56.430 59.018 0.093 0.000 2.279 438 C CB 0.423 28.223 27.740 0.099 0.000 2.334 438 C HN 0.153 nan 8.230 nan 0.000 0.559 439 P HA 0.277 nan 4.420 nan 0.000 0.268 439 P C -1.204 176.181 177.300 0.142 0.000 1.208 439 P CA 0.470 63.641 63.100 0.118 0.000 0.777 439 P CB -0.055 31.747 31.700 0.171 0.000 0.875 440 Y N -0.190 120.032 120.300 -0.129 0.000 2.362 440 Y HA 0.627 5.180 4.550 0.005 0.000 0.326 440 Y C -1.609 174.027 175.900 -0.440 0.000 1.083 440 Y CA -0.904 57.097 58.100 -0.165 0.000 1.073 440 Y CB 1.170 39.549 38.460 -0.135 0.000 1.211 440 Y HN 0.418 nan 8.280 nan 0.000 0.433 441 H N 4.020 123.043 119.070 -0.079 0.000 2.966 441 H HA 0.542 5.101 4.556 0.005 0.000 0.347 441 H C -1.148 174.091 175.328 -0.148 0.000 1.048 441 H CA -0.712 55.202 56.048 -0.224 0.000 1.295 441 H CB 1.647 31.290 29.762 -0.198 0.000 1.744 441 H HN 0.891 nan 8.280 nan 0.000 0.513 442 N N 0.560 119.182 118.700 -0.131 0.000 3.449 442 N HA 0.206 4.949 4.740 0.005 0.000 0.312 442 N C -1.047 174.230 175.510 -0.389 0.000 1.582 442 N CA -0.916 52.005 53.050 -0.215 0.000 0.850 442 N CB 0.761 39.269 38.487 0.035 0.000 1.822 442 N HN 0.282 nan 8.380 nan 0.000 0.577 443 F N -0.379 119.623 119.950 0.087 0.000 2.641 443 F HA 0.349 4.879 4.527 0.005 0.000 0.302 443 F C 0.360 176.212 175.800 0.087 0.000 1.098 443 F CA -0.341 57.706 58.000 0.078 0.000 1.318 443 F CB 0.240 39.281 39.000 0.069 0.000 1.035 443 F HN 0.126 nan 8.300 nan 0.000 0.551 444 Q N 1.899 121.807 119.800 0.180 0.000 2.313 444 Q HA 0.352 4.695 4.340 0.005 0.000 0.266 444 Q C 0.077 176.157 176.000 0.133 0.000 0.989 444 Q CA 0.065 55.957 55.803 0.148 0.000 0.890 444 Q CB 1.040 29.845 28.738 0.111 0.000 1.200 444 Q HN 0.146 nan 8.270 nan 0.000 0.396 445 R N 1.812 122.385 120.500 0.121 0.000 2.869 445 R HA 0.396 4.739 4.340 0.005 0.000 0.263 445 R C -0.493 175.859 176.300 0.087 0.000 1.066 445 R CA -0.750 55.412 56.100 0.103 0.000 0.960 445 R CB 0.913 31.274 30.300 0.102 0.000 1.221 445 R HN 0.675 nan 8.270 nan 0.000 0.474 446 D N -0.291 120.152 120.400 0.072 0.000 3.395 446 D HA -0.167 4.477 4.640 0.005 0.000 0.238 446 D C 0.287 176.625 176.300 0.064 0.000 1.741 446 D CA 2.122 56.158 54.000 0.060 0.000 1.135 446 D CB -1.019 39.815 40.800 0.056 0.000 0.767 446 D HN 0.931 nan 8.370 nan 0.000 0.934 447 G N -1.530 107.307 108.800 0.061 0.000 2.712 447 G HA2 0.277 4.240 3.960 0.005 0.000 0.686 447 G HA3 0.277 4.240 3.960 0.005 0.000 0.686 447 G C -0.284 174.657 174.900 0.068 0.000 1.181 447 G CA -0.034 45.107 45.100 0.068 0.000 0.762 447 G HN 0.803 nan 8.290 nan 0.000 0.641 448 M N 1.494 121.140 119.600 0.075 0.000 2.240 448 M HA 0.373 4.856 4.480 0.005 0.000 0.346 448 M C 1.112 177.494 176.300 0.137 0.000 1.236 448 M CA 1.430 56.783 55.300 0.089 0.000 0.986 448 M CB -0.727 31.926 32.600 0.089 0.000 1.786 448 M HN 1.636 nan 8.290 nan 0.000 0.457 449 H N 0.891 119.968 119.070 0.012 0.000 2.677 449 H HA -0.181 4.378 4.556 0.005 0.000 0.321 449 H C -0.652 174.669 175.328 -0.011 0.000 1.171 449 H CA 0.816 56.866 56.048 0.003 0.000 1.139 449 H CB -0.658 29.107 29.762 0.005 0.000 1.515 449 H HN 0.653 nan 8.280 nan 0.000 0.423 450 R N 1.273 121.797 120.500 0.040 0.000 2.449 450 R HA 0.060 4.403 4.340 0.005 0.000 0.296 450 R C 0.990 177.287 176.300 -0.004 0.000 1.047 450 R CA 0.096 56.210 56.100 0.024 0.000 1.018 450 R CB 0.305 30.617 30.300 0.019 0.000 0.962 450 R HN 0.376 nan 8.270 nan 0.000 0.428 451 M N 2.654 122.261 119.600 0.012 0.000 2.398 451 M HA 0.206 4.689 4.480 0.005 0.000 0.261 451 M C 0.983 177.278 176.300 -0.008 0.000 1.125 451 M CA 1.071 56.373 55.300 0.002 0.000 1.183 451 M CB -1.015 31.595 32.600 0.017 0.000 1.322 451 M HN 0.730 nan 8.290 nan 0.000 0.467 452 G N 2.215 111.016 108.800 0.001 0.000 2.265 452 G HA2 0.261 4.224 3.960 0.005 0.000 0.240 452 G HA3 0.261 4.224 3.960 0.005 0.000 0.240 452 G C -0.275 174.619 174.900 -0.009 0.000 1.270 452 G CA -0.228 44.870 45.100 -0.004 0.000 0.901 452 G HN 0.376 nan 8.290 nan 0.000 0.507 453 I N 3.036 123.593 120.570 -0.022 0.000 2.412 453 I HA 0.101 4.274 4.170 0.005 0.000 0.279 453 I C -0.294 175.813 176.117 -0.018 0.000 1.063 453 I CA -0.602 60.690 61.300 -0.014 0.000 1.193 453 I CB 0.863 38.854 38.000 -0.015 0.000 1.370 453 I HN 0.385 nan 8.210 nan 0.000 0.479 454 D N 4.657 125.051 120.400 -0.010 0.000 2.383 454 D HA 0.040 4.683 4.640 0.005 0.000 0.252 454 D C 1.268 177.570 176.300 0.004 0.000 1.166 454 D CA 0.324 54.318 54.000 -0.011 0.000 0.879 454 D CB 1.725 42.526 40.800 0.002 0.000 1.164 454 D HN 0.540 nan 8.370 nan 0.000 0.462 455 T N -0.917 113.636 114.554 -0.001 0.000 3.060 455 T HA -0.071 4.282 4.350 0.005 0.000 0.249 455 T C 0.904 175.617 174.700 0.021 0.000 1.079 455 T CA -0.546 61.559 62.100 0.008 0.000 1.013 455 T CB 0.156 69.022 68.868 -0.004 0.000 0.975 455 T HN 0.131 nan 8.240 nan 0.000 0.518 456 N N 3.489 122.204 118.700 0.024 0.000 2.365 456 N HA 0.056 4.799 4.740 0.005 0.000 0.265 456 N C -1.646 173.908 175.510 0.074 0.000 1.288 456 N CA -1.439 51.639 53.050 0.047 0.000 0.869 456 N CB 1.359 39.874 38.487 0.048 0.000 1.071 456 N HN 0.077 nan 8.380 nan 0.000 0.480 457 P HA -0.032 nan 4.420 nan 0.000 0.218 457 P C -0.475 176.897 177.300 0.119 0.000 1.148 457 P CA 0.999 64.151 63.100 0.086 0.000 0.822 457 P CB 0.199 31.943 31.700 0.074 0.000 0.784 458 A N 0.501 123.385 122.820 0.107 0.000 2.303 458 A HA 0.421 4.744 4.320 0.005 0.000 0.317 458 A C 0.546 178.267 177.584 0.228 0.000 1.149 458 A CA -0.595 51.479 52.037 0.061 0.000 0.822 458 A CB 0.060 18.928 19.000 -0.219 0.000 1.131 458 A HN 0.292 nan 8.150 nan 0.000 0.493 459 N N -0.333 118.555 118.700 0.314 0.000 2.241 459 N HA 0.305 5.048 4.740 0.005 0.000 0.238 459 N C -0.794 174.935 175.510 0.366 0.000 1.244 459 N CA -0.315 52.984 53.050 0.414 0.000 0.880 459 N CB 0.395 39.062 38.487 0.299 0.000 1.179 459 N HN 0.698 nan 8.380 nan 0.000 0.513 460 Y N -0.620 119.613 120.300 -0.111 0.000 2.597 460 Y HA 0.716 5.269 4.550 0.005 0.000 0.340 460 Y C -1.403 173.946 175.900 -0.919 0.000 1.097 460 Y CA -1.363 56.471 58.100 -0.444 0.000 1.037 460 Y CB 1.154 39.504 38.460 -0.183 0.000 1.305 460 Y HN 0.026 nan 8.280 nan 0.000 0.463 461 E N 0.993 120.690 120.200 -0.838 0.000 2.356 461 E HA 0.626 4.979 4.350 0.005 0.000 0.275 461 E C -3.199 173.261 176.600 -0.234 0.000 0.904 461 E CA -2.050 53.943 56.400 -0.677 0.000 0.757 461 E CB 1.574 30.770 29.700 -0.841 0.000 1.232 461 E HN 0.555 nan 8.360 nan 0.000 0.442 462 P HA 0.284 nan 4.420 nan 0.000 0.275 462 P C -1.224 175.984 177.300 -0.155 0.000 1.228 462 P CA -0.372 62.632 63.100 -0.161 0.000 0.786 462 P CB 0.394 32.044 31.700 -0.083 0.000 0.927 463 N N -1.539 116.998 118.700 -0.272 0.000 2.229 463 N HA 0.358 5.101 4.740 0.005 0.000 0.298 463 N C 0.319 175.757 175.510 -0.121 0.000 1.114 463 N CA -0.782 52.104 53.050 -0.273 0.000 0.776 463 N CB 1.511 39.548 38.487 -0.751 0.000 1.501 463 N HN 0.195 nan 8.380 nan 0.000 0.474 464 S N 0.872 116.555 115.700 -0.027 0.000 2.492 464 S HA -0.024 4.449 4.470 0.005 0.000 0.218 464 S C 1.548 176.155 174.600 0.012 0.000 1.016 464 S CA 0.033 58.228 58.200 -0.008 0.000 0.916 464 S CB -0.779 62.431 63.200 0.017 0.000 0.791 464 S HN 0.719 nan 8.310 nan 0.000 0.513 465 I N -0.556 120.027 120.570 0.022 0.000 2.756 465 I HA 0.183 4.356 4.170 0.005 0.000 0.262 465 I C 1.325 177.473 176.117 0.051 0.000 1.225 465 I CA 1.390 62.718 61.300 0.047 0.000 1.472 465 I CB -0.377 37.672 38.000 0.081 0.000 1.094 465 I HN 0.216 nan 8.210 nan 0.000 0.454 466 N N 0.967 119.696 118.700 0.049 0.000 2.291 466 N HA 0.039 4.783 4.740 0.005 0.000 0.244 466 N C -0.090 175.542 175.510 0.203 0.000 1.216 466 N CA -0.032 53.088 53.050 0.117 0.000 0.879 466 N CB 0.046 38.611 38.487 0.130 0.000 1.167 466 N HN 0.192 nan 8.380 nan 0.000 0.515 467 D N 0.711 121.178 120.400 0.112 0.000 2.837 467 D HA -0.250 4.393 4.640 0.005 0.000 0.230 467 D C -0.077 176.127 176.300 -0.161 0.000 1.152 467 D CA 1.037 55.076 54.000 0.066 0.000 0.736 467 D CB -1.311 39.635 40.800 0.243 0.000 1.084 467 D HN 0.494 nan 8.370 nan 0.000 0.429 468 N N -1.757 116.860 118.700 -0.139 0.000 2.800 468 N HA -0.246 4.497 4.740 0.005 0.000 0.250 468 N C -0.800 174.596 175.510 -0.191 0.000 1.078 468 N CA 1.433 54.356 53.050 -0.212 0.000 0.804 468 N CB -1.286 37.027 38.487 -0.290 0.000 1.135 468 N HN 0.512 nan 8.380 nan 0.000 0.565 469 W N 1.104 122.456 121.300 0.086 0.000 2.375 469 W HA 0.466 5.129 4.660 0.005 0.000 0.336 469 W C -1.634 174.929 176.519 0.072 0.000 1.160 469 W CA -1.628 55.755 57.345 0.064 0.000 1.266 469 W CB 0.408 29.850 29.460 -0.030 0.000 1.195 469 W HN -0.051 nan 8.180 nan 0.000 0.599 470 P HA 0.113 nan 4.420 nan 0.000 0.269 470 P C -0.693 176.741 177.300 0.222 0.000 1.209 470 P CA 0.035 63.273 63.100 0.231 0.000 0.776 470 P CB 0.789 32.482 31.700 -0.011 0.000 0.876 471 R N 1.104 121.697 120.500 0.156 0.000 2.589 471 R HA 0.308 4.651 4.340 0.005 0.000 0.293 471 R C 0.318 176.637 176.300 0.031 0.000 0.963 471 R CA -0.838 55.227 56.100 -0.059 0.000 0.905 471 R CB 1.184 31.219 30.300 -0.442 0.000 1.144 471 R HN 0.478 nan 8.270 nan 0.000 0.459 472 E N 0.820 121.032 120.200 0.020 0.000 2.459 472 E HA -0.024 4.330 4.350 0.005 0.000 0.264 472 E C -0.505 176.112 176.600 0.028 0.000 1.055 472 E CA 0.782 57.206 56.400 0.040 0.000 0.957 472 E CB 0.510 30.223 29.700 0.022 0.000 0.952 472 E HN 0.375 nan 8.360 nan 0.000 0.448 473 T N 3.337 117.920 114.554 0.048 0.000 2.879 473 T HA 0.328 4.681 4.350 0.005 0.000 0.290 473 T C -2.472 172.249 174.700 0.035 0.000 0.993 473 T CA -1.511 60.616 62.100 0.045 0.000 0.975 473 T CB 1.545 70.452 68.868 0.066 0.000 0.981 473 T HN 0.229 nan 8.240 nan 0.000 0.439 474 P HA 0.226 nan 4.420 nan 0.000 0.269 474 P C -2.435 174.868 177.300 0.006 0.000 1.209 474 P CA -1.172 61.932 63.100 0.008 0.000 0.776 474 P CB -0.332 31.368 31.700 0.000 0.000 0.876 475 P HA 0.243 nan 4.420 nan 0.000 0.269 475 P C 0.015 177.298 177.300 -0.027 0.000 1.215 475 P CA 0.430 63.510 63.100 -0.032 0.000 0.780 475 P CB 0.635 32.293 31.700 -0.070 0.000 0.898 476 G N 1.150 109.932 108.800 -0.030 0.000 2.548 476 G HA2 0.413 4.376 3.960 0.005 0.000 0.301 476 G HA3 0.413 4.376 3.960 0.005 0.000 0.301 476 G C -2.538 172.346 174.900 -0.027 0.000 1.349 476 G CA -0.723 44.364 45.100 -0.022 0.000 0.792 476 G HN 0.153 nan 8.290 nan 0.000 0.481 477 P HA 0.092 nan 4.420 nan 0.000 0.221 477 P C 0.229 177.519 177.300 -0.015 0.000 1.150 477 P CA 1.149 64.235 63.100 -0.023 0.000 0.800 477 P CB 0.348 32.038 31.700 -0.017 0.000 0.787 478 K N -1.152 119.247 120.400 -0.003 0.000 2.557 478 K HA 0.353 4.676 4.320 0.005 0.000 0.257 478 K C -0.430 176.183 176.600 0.021 0.000 0.933 478 K CA -0.667 55.626 56.287 0.009 0.000 0.820 478 K CB 1.163 33.670 32.500 0.011 0.000 1.330 478 K HN -0.399 nan 8.250 nan 0.000 0.432 479 R N 0.259 120.779 120.500 0.033 0.000 3.651 479 R HA -0.120 4.223 4.340 0.005 0.000 0.292 479 R C -0.219 176.107 176.300 0.044 0.000 1.161 479 R CA 1.097 57.224 56.100 0.045 0.000 0.787 479 R CB -2.309 28.018 30.300 0.044 0.000 1.249 479 R HN 0.894 nan 8.270 nan 0.000 0.476 480 G N -1.114 107.707 108.800 0.034 0.000 2.491 480 G HA2 0.647 4.610 3.960 0.005 0.000 0.327 480 G HA3 0.647 4.610 3.960 0.005 0.000 0.327 480 G C 0.365 175.294 174.900 0.049 0.000 1.189 480 G CA 0.042 45.160 45.100 0.030 0.000 0.956 480 G HN 0.268 nan 8.290 nan 0.000 0.491 481 G N -1.324 107.507 108.800 0.051 0.000 2.606 481 G HA2 0.413 4.377 3.960 0.005 0.000 0.252 481 G HA3 0.413 4.377 3.960 0.005 0.000 0.252 481 G C -0.718 174.238 174.900 0.093 0.000 1.206 481 G CA -0.553 44.600 45.100 0.088 0.000 0.861 481 G HN 0.466 nan 8.290 nan 0.000 0.561 482 F N 0.109 120.068 119.950 0.014 0.000 2.427 482 F HA 0.434 4.964 4.527 0.005 0.000 0.352 482 F C 0.478 176.282 175.800 0.007 0.000 1.100 482 F CA -0.285 57.716 58.000 0.002 0.000 1.191 482 F CB 1.017 40.017 39.000 0.001 0.000 1.128 482 F HN 0.424 nan 8.300 nan 0.000 0.533 483 E N 3.986 123.809 120.200 -0.629 0.000 2.263 483 E HA 0.282 4.635 4.350 0.005 0.000 0.268 483 E C -1.197 175.081 176.600 -0.537 0.000 0.884 483 E CA -0.742 55.441 56.400 -0.361 0.000 0.766 483 E CB 1.501 31.089 29.700 -0.186 0.000 1.196 483 E HN 0.630 nan 8.360 nan 0.000 0.416 484 S N 2.770 118.382 115.700 -0.147 0.000 2.549 484 S HA -0.025 4.448 4.470 0.005 0.000 0.283 484 S C -0.440 174.141 174.600 -0.031 0.000 1.320 484 S CA -0.301 57.891 58.200 -0.014 0.000 1.058 484 S CB 0.067 63.376 63.200 0.182 0.000 0.882 484 S HN 0.475 nan 8.310 nan 0.000 0.498 485 Y N 2.941 123.169 120.300 -0.120 0.000 2.810 485 Y HA -0.069 4.484 4.550 0.005 0.000 0.332 485 Y C 0.873 176.745 175.900 -0.048 0.000 1.243 485 Y CA 0.138 58.176 58.100 -0.102 0.000 1.537 485 Y CB 0.112 38.512 38.460 -0.101 0.000 1.265 485 Y HN 0.595 nan 8.280 nan 0.000 0.572 486 Q N 5.256 124.648 119.800 -0.680 0.000 3.254 486 Q HA 0.005 4.348 4.340 0.005 0.000 0.315 486 Q C -0.170 175.509 176.000 -0.534 0.000 1.405 486 Q CA -0.031 55.489 55.803 -0.472 0.000 0.966 486 Q CB -0.288 28.268 28.738 -0.304 0.000 1.706 486 Q HN 0.653 nan 8.270 nan 0.000 0.525 487 E N 1.549 121.494 120.200 -0.424 0.000 2.465 487 E HA -0.038 4.315 4.350 0.005 0.000 0.260 487 E C -0.252 176.308 176.600 -0.067 0.000 0.980 487 E CA -0.341 55.969 56.400 -0.149 0.000 0.927 487 E CB 0.609 30.366 29.700 0.095 0.000 0.934 487 E HN 0.141 nan 8.360 nan 0.000 0.459 488 R N 3.133 123.618 120.500 -0.026 0.000 2.389 488 R HA 0.206 4.549 4.340 0.005 0.000 0.295 488 R C -1.406 174.912 176.300 0.030 0.000 1.075 488 R CA -0.208 55.890 56.100 -0.003 0.000 1.005 488 R CB 0.843 31.150 30.300 0.012 0.000 0.987 488 R HN 0.318 nan 8.270 nan 0.000 0.452 489 V N 4.984 124.910 119.914 0.020 0.000 2.448 489 V HA 0.406 4.529 4.120 0.005 0.000 0.295 489 V C -0.501 175.604 176.094 0.018 0.000 1.025 489 V CA -0.537 61.780 62.300 0.027 0.000 0.859 489 V CB 1.599 33.437 31.823 0.024 0.000 0.988 489 V HN 0.825 nan 8.190 nan 0.000 0.431 490 E N 2.849 123.061 120.200 0.021 0.000 2.287 490 E HA 0.699 5.052 4.350 0.005 0.000 0.274 490 E C -0.110 176.494 176.600 0.006 0.000 0.896 490 E CA -0.392 56.015 56.400 0.011 0.000 0.788 490 E CB 2.356 32.064 29.700 0.012 0.000 1.244 490 E HN 0.984 nan 8.360 nan 0.000 0.408 491 G N 2.424 111.223 108.800 -0.001 0.000 2.320 491 G HA2 0.084 4.047 3.960 0.005 0.000 0.297 491 G HA3 0.084 4.047 3.960 0.005 0.000 0.297 491 G C -1.540 173.353 174.900 -0.012 0.000 1.344 491 G CA -1.075 44.020 45.100 -0.008 0.000 0.851 491 G HN 0.400 nan 8.290 nan 0.000 0.567 492 N N 0.028 118.718 118.700 -0.017 0.000 2.489 492 N HA 0.454 5.197 4.740 0.005 0.000 0.284 492 N C -0.254 175.242 175.510 -0.024 0.000 1.158 492 N CA -0.675 52.364 53.050 -0.019 0.000 0.965 492 N CB 1.188 39.663 38.487 -0.020 0.000 1.195 492 N HN 0.439 nan 8.380 nan 0.000 0.506 493 K N 1.227 121.613 120.400 -0.024 0.000 2.361 493 K HA 0.128 4.451 4.320 0.005 0.000 0.283 493 K C -0.691 175.887 176.600 -0.037 0.000 1.078 493 K CA -0.025 56.245 56.287 -0.029 0.000 1.041 493 K CB -0.350 32.134 32.500 -0.026 0.000 0.932 493 K HN 0.357 nan 8.250 nan 0.000 0.462 494 V N 0.303 120.190 119.914 -0.045 0.000 3.007 494 V HA 0.477 4.600 4.120 0.005 0.000 0.311 494 V C -0.570 175.483 176.094 -0.068 0.000 1.120 494 V CA -1.341 60.928 62.300 -0.052 0.000 0.980 494 V CB 2.074 33.867 31.823 -0.050 0.000 1.033 494 V HN 0.601 nan 8.190 nan 0.000 0.429 495 R N 2.286 122.742 120.500 -0.074 0.000 2.522 495 R HA 0.599 4.942 4.340 0.005 0.000 0.290 495 R C -0.509 175.743 176.300 -0.081 0.000 1.216 495 R CA -0.130 55.913 56.100 -0.095 0.000 1.250 495 R CB 0.696 30.927 30.300 -0.114 0.000 1.143 495 R HN 0.927 nan 8.270 nan 0.000 0.553 496 E N 2.108 122.256 120.200 -0.086 0.000 2.335 496 E HA 0.207 4.560 4.350 0.005 0.000 0.280 496 E C -1.274 175.258 176.600 -0.112 0.000 0.918 496 E CA -0.985 55.367 56.400 -0.080 0.000 0.765 496 E CB 1.689 31.348 29.700 -0.068 0.000 1.218 496 E HN 0.129 nan 8.360 nan 0.000 0.425 497 R N 1.339 121.777 120.500 -0.103 0.000 2.490 497 R HA 0.203 4.546 4.340 0.005 0.000 0.280 497 R C -0.509 175.676 176.300 -0.193 0.000 1.077 497 R CA 0.147 56.151 56.100 -0.161 0.000 1.065 497 R CB 1.144 31.405 30.300 -0.064 0.000 1.003 497 R HN 0.378 nan 8.270 nan 0.000 0.470 498 S N 4.685 120.159 115.700 -0.377 0.000 2.528 498 S HA 0.243 4.716 4.470 0.005 0.000 0.277 498 S C -1.622 172.928 174.600 -0.083 0.000 1.297 498 S CA -1.388 56.658 58.200 -0.255 0.000 1.052 498 S CB 0.877 63.867 63.200 -0.351 0.000 0.917 498 S HN 0.540 nan 8.310 nan 0.000 0.492 499 P HA -0.125 nan 4.420 nan 0.000 0.216 499 P C 1.655 178.994 177.300 0.065 0.000 1.150 499 P CA 1.458 64.568 63.100 0.017 0.000 0.837 499 P CB -0.251 31.448 31.700 -0.001 0.000 0.786 500 S N -1.695 114.075 115.700 0.117 0.000 2.440 500 S HA -0.175 4.298 4.470 0.005 0.000 0.240 500 S C 1.553 176.321 174.600 0.280 0.000 1.014 500 S CA 1.123 59.434 58.200 0.184 0.000 0.980 500 S CB -1.524 61.821 63.200 0.241 0.000 0.775 500 S HN -0.030 nan 8.310 nan 0.000 0.499 501 F N 2.165 122.099 119.950 -0.025 0.000 2.743 501 F HA 0.373 4.903 4.527 0.005 0.000 0.297 501 F C 2.087 177.805 175.800 -0.137 0.000 1.131 501 F CA -0.761 57.219 58.000 -0.034 0.000 1.426 501 F CB -0.892 38.123 39.000 0.026 0.000 1.116 501 F HN 0.338 nan 8.300 nan 0.000 0.583 502 G N 0.824 109.619 108.800 -0.009 0.000 3.263 502 G HA2 0.051 4.014 3.960 0.005 0.000 0.246 502 G HA3 0.051 4.014 3.960 0.005 0.000 0.246 502 G C 0.025 174.466 174.900 -0.764 0.000 0.982 502 G CA 0.236 45.133 45.100 -0.338 0.000 1.897 502 G HN 0.064 nan 8.290 nan 0.000 0.624 503 E N 0.123 119.752 120.200 -0.953 0.000 2.274 503 E HA 0.287 4.640 4.350 0.005 0.000 0.269 503 E C -0.962 175.179 176.600 -0.765 0.000 0.891 503 E CA -0.771 55.193 56.400 -0.727 0.000 0.784 503 E CB 1.380 30.916 29.700 -0.273 0.000 1.225 503 E HN 0.227 nan 8.360 nan 0.000 0.412 504 Y N 2.702 122.750 120.300 -0.420 0.000 2.527 504 Y HA 0.205 4.758 4.550 0.005 0.000 0.247 504 Y C 0.655 176.254 175.900 -0.501 0.000 1.138 504 Y CA -0.144 57.642 58.100 -0.523 0.000 1.228 504 Y CB 0.398 38.450 38.460 -0.681 0.000 1.252 504 Y HN 0.411 nan 8.280 nan 0.000 0.531 505 Y N -1.267 119.115 120.300 0.137 0.000 2.483 505 Y HA 0.077 4.631 4.550 0.006 0.000 0.258 505 Y C 2.398 178.362 175.900 0.106 0.000 1.083 505 Y CA 0.110 58.286 58.100 0.127 0.000 1.283 505 Y CB -0.401 38.136 38.460 0.128 0.000 1.178 505 Y HN 0.069 nan 8.280 nan 0.000 0.515 506 S N -0.649 115.187 115.700 0.226 0.000 2.383 506 S HA -0.198 4.275 4.470 0.005 0.000 0.227 506 S C 1.469 176.153 174.600 0.139 0.000 1.026 506 S CA 1.643 59.958 58.200 0.193 0.000 0.981 506 S CB -0.612 62.705 63.200 0.195 0.000 0.818 506 S HN 0.425 nan 8.310 nan 0.000 0.472 507 H N 3.083 122.059 119.070 -0.155 0.000 2.326 507 H HA 0.160 4.719 4.556 0.005 0.000 0.301 507 H C -0.623 174.562 175.328 -0.240 0.000 1.081 507 H CA 1.449 57.263 56.048 -0.390 0.000 1.334 507 H CB -1.813 27.416 29.762 -0.888 0.000 1.385 507 H HN 0.376 nan 8.280 nan 0.000 0.504 508 P HA -0.218 nan 4.420 nan 0.000 0.215 508 P C 1.518 179.034 177.300 0.359 0.000 1.163 508 P CA 1.869 65.159 63.100 0.317 0.000 0.894 508 P CB 0.048 31.938 31.700 0.316 0.000 0.791 509 R N -0.383 120.273 120.500 0.260 0.000 2.083 509 R HA -0.157 4.186 4.340 0.005 0.000 0.237 509 R C 2.255 178.706 176.300 0.253 0.000 1.137 509 R CA 1.394 57.648 56.100 0.256 0.000 0.951 509 R CB -1.174 29.233 30.300 0.178 0.000 0.851 509 R HN 0.055 nan 8.270 nan 0.000 0.434 510 L N 0.436 121.752 121.223 0.156 0.000 2.042 510 L HA -0.157 4.186 4.340 0.005 0.000 0.210 510 L C 2.040 178.993 176.870 0.139 0.000 1.076 510 L CA 1.822 56.715 54.840 0.089 0.000 0.749 510 L CB -0.699 41.340 42.059 -0.034 0.000 0.893 510 L HN 0.287 nan 8.230 nan 0.000 0.432 511 F N -0.843 119.171 119.950 0.106 0.000 2.102 511 F HA -0.263 4.268 4.527 0.006 0.000 0.298 511 F C 2.287 178.100 175.800 0.022 0.000 1.105 511 F CA 2.064 60.097 58.000 0.055 0.000 1.239 511 F CB -0.566 38.504 39.000 0.117 0.000 0.991 511 F HN 0.397 nan 8.300 nan 0.000 0.474 512 W N 1.546 122.862 121.300 0.028 0.000 2.354 512 W HA -0.227 4.435 4.660 0.002 0.000 0.315 512 W C 1.706 178.122 176.519 -0.171 0.000 1.206 512 W CA 1.820 59.120 57.345 -0.074 0.000 1.290 512 W CB -0.812 28.694 29.460 0.075 0.000 1.152 512 W HN 0.060 nan 8.180 nan 0.000 0.489 513 L N 1.373 122.527 121.223 -0.116 0.000 2.456 513 L HA -0.143 4.200 4.340 0.005 0.000 0.224 513 L C 2.105 178.791 176.870 -0.306 0.000 1.148 513 L CA 0.980 55.682 54.840 -0.230 0.000 0.825 513 L CB -0.736 41.304 42.059 -0.030 0.000 0.937 513 L HN -0.136 nan 8.230 nan 0.000 0.450 514 S N -1.497 113.997 115.700 -0.343 0.000 2.575 514 S HA 0.094 4.567 4.470 0.005 0.000 0.215 514 S C 0.614 174.925 174.600 -0.481 0.000 0.966 514 S CA -0.076 57.919 58.200 -0.342 0.000 0.911 514 S CB 0.042 63.079 63.200 -0.271 0.000 0.780 514 S HN 0.271 nan 8.310 nan 0.000 0.514 515 Q N 2.346 121.762 119.800 -0.641 0.000 2.230 515 Q HA 0.316 4.659 4.340 0.005 0.000 0.248 515 Q C 0.578 176.188 176.000 -0.649 0.000 0.915 515 Q CA -0.179 55.203 55.803 -0.701 0.000 0.900 515 Q CB 0.805 29.053 28.738 -0.817 0.000 1.229 515 Q HN 0.431 nan 8.270 nan 0.000 0.439 516 T N -1.325 112.806 114.554 -0.705 0.000 2.748 516 T HA 0.126 4.479 4.350 0.005 0.000 0.304 516 T C -1.693 172.548 174.700 -0.764 0.000 1.041 516 T CA -1.156 60.494 62.100 -0.750 0.000 1.033 516 T CB 0.196 68.346 68.868 -1.195 0.000 0.995 516 T HN 0.252 nan 8.240 nan 0.000 0.536 517 P HA -0.020 nan 4.420 nan 0.000 0.216 517 P C 1.346 178.451 177.300 -0.325 0.000 1.150 517 P CA 1.015 63.903 63.100 -0.353 0.000 0.837 517 P CB -0.255 31.353 31.700 -0.153 0.000 0.786 518 F N -0.343 119.400 119.950 -0.345 0.000 2.293 518 F HA 0.114 4.643 4.527 0.004 0.000 0.297 518 F C 1.791 177.214 175.800 -0.628 0.000 1.089 518 F CA 0.663 58.380 58.000 -0.471 0.000 1.377 518 F CB -1.554 37.147 39.000 -0.498 0.000 1.051 518 F HN -0.111 nan 8.300 nan 0.000 0.511 519 E N 0.615 120.261 120.200 -0.922 0.000 2.106 519 E HA -0.189 4.164 4.350 0.005 0.000 0.192 519 E C 2.183 178.591 176.600 -0.319 0.000 0.984 519 E CA 1.194 57.281 56.400 -0.522 0.000 0.806 519 E CB -0.272 29.070 29.700 -0.596 0.000 0.750 519 E HN 0.606 nan 8.360 nan 0.000 0.458 520 Q N 0.504 120.026 119.800 -0.464 0.000 2.061 520 Q HA -0.206 4.137 4.340 0.005 0.000 0.204 520 Q C 2.326 178.348 176.000 0.036 0.000 0.984 520 Q CA 1.370 56.924 55.803 -0.415 0.000 0.846 520 Q CB -0.192 28.060 28.738 -0.811 0.000 0.902 520 Q HN 0.139 nan 8.270 nan 0.000 0.421 521 R N 0.015 120.505 120.500 -0.016 0.000 2.105 521 R HA -0.187 4.156 4.340 0.005 0.000 0.239 521 R C 1.698 178.148 176.300 0.249 0.000 1.135 521 R CA 1.749 57.918 56.100 0.115 0.000 0.967 521 R CB -0.197 30.124 30.300 0.035 0.000 0.861 521 R HN 0.496 nan 8.270 nan 0.000 0.442 522 H N -0.454 118.709 119.070 0.155 0.000 2.423 522 H HA -0.036 4.524 4.556 0.006 0.000 0.297 522 H C 2.152 177.594 175.328 0.190 0.000 1.075 522 H CA 1.267 57.420 56.048 0.175 0.000 1.342 522 H CB 0.096 29.966 29.762 0.181 0.000 1.395 522 H HN 0.221 nan 8.280 nan 0.000 0.530 523 I N 0.095 120.882 120.570 0.362 0.000 2.202 523 I HA -0.235 3.938 4.170 0.005 0.000 0.242 523 I C 2.272 178.666 176.117 0.462 0.000 1.091 523 I CA 0.685 62.226 61.300 0.402 0.000 1.368 523 I CB -0.165 38.163 38.000 0.548 0.000 1.058 523 I HN 0.070 nan 8.210 nan 0.000 0.410 524 V N 1.188 121.374 119.914 0.453 0.000 2.282 524 V HA -0.333 3.790 4.120 0.005 0.000 0.249 524 V C 2.042 178.310 176.094 0.290 0.000 1.057 524 V CA 2.179 64.694 62.300 0.358 0.000 1.032 524 V CB -0.757 31.234 31.823 0.280 0.000 0.645 524 V HN 0.442 nan 8.190 nan 0.000 0.447 525 D N 0.410 120.965 120.400 0.258 0.000 2.144 525 D HA -0.080 4.563 4.640 0.005 0.000 0.200 525 D C 2.204 178.585 176.300 0.135 0.000 0.978 525 D CA 1.478 55.599 54.000 0.202 0.000 0.833 525 D CB -0.619 40.306 40.800 0.209 0.000 0.961 525 D HN 0.484 nan 8.370 nan 0.000 0.470 526 G N 0.361 109.219 108.800 0.096 0.000 2.446 526 G HA2 -0.262 3.701 3.960 0.005 0.000 0.217 526 G HA3 -0.262 3.701 3.960 0.005 0.000 0.217 526 G C 1.464 176.363 174.900 -0.002 0.000 1.168 526 G CA 0.326 45.393 45.100 -0.055 0.000 0.771 526 G HN 0.170 nan 8.290 nan 0.000 0.551 527 F N 1.646 121.644 119.950 0.081 0.000 2.102 527 F HA -0.058 4.472 4.527 0.005 0.000 0.298 527 F C 3.195 178.924 175.800 -0.119 0.000 1.105 527 F CA 1.567 59.552 58.000 -0.025 0.000 1.239 527 F CB -0.501 38.481 39.000 -0.029 0.000 0.991 527 F HN 0.077 nan 8.300 nan 0.000 0.474 528 S N 0.162 115.953 115.700 0.152 0.000 2.365 528 S HA -0.257 4.216 4.470 0.005 0.000 0.225 528 S C 1.883 176.504 174.600 0.035 0.000 1.039 528 S CA 1.640 59.879 58.200 0.065 0.000 1.033 528 S CB -0.886 62.380 63.200 0.109 0.000 0.887 528 S HN 0.413 nan 8.310 nan 0.000 0.447 529 F N 2.562 122.477 119.950 -0.059 0.000 2.075 529 F HA -0.135 4.395 4.527 0.005 0.000 0.297 529 F C 2.395 178.139 175.800 -0.093 0.000 1.113 529 F CA 1.607 59.563 58.000 -0.073 0.000 1.218 529 F CB -0.347 38.557 39.000 -0.159 0.000 0.984 529 F HN 0.106 nan 8.300 nan 0.000 0.472 530 E N 0.719 120.896 120.200 -0.038 0.000 2.058 530 E HA -0.230 4.123 4.350 0.005 0.000 0.194 530 E C 2.344 178.759 176.600 -0.309 0.000 0.997 530 E CA 1.896 58.238 56.400 -0.098 0.000 0.801 530 E CB -0.638 29.146 29.700 0.140 0.000 0.746 530 E HN 0.494 nan 8.360 nan 0.000 0.450 531 L N 0.839 121.803 121.223 -0.432 0.000 2.217 531 L HA -0.094 4.249 4.340 0.005 0.000 0.211 531 L C 2.478 179.188 176.870 -0.267 0.000 1.107 531 L CA 0.469 55.033 54.840 -0.460 0.000 0.783 531 L CB -0.206 41.579 42.059 -0.457 0.000 0.919 531 L HN -0.016 nan 8.230 nan 0.000 0.442 532 S N 0.001 115.560 115.700 -0.236 0.000 2.399 532 S HA -0.162 4.311 4.470 0.005 0.000 0.231 532 S C 1.769 176.251 174.600 -0.196 0.000 1.022 532 S CA 1.271 59.357 58.200 -0.190 0.000 0.983 532 S CB -0.109 62.975 63.200 -0.194 0.000 0.803 532 S HN 0.400 nan 8.310 nan 0.000 0.480 533 K N 0.869 121.120 120.400 -0.248 0.000 2.444 533 K HA 0.158 4.481 4.320 0.005 0.000 0.193 533 K C -0.272 176.310 176.600 -0.030 0.000 1.024 533 K CA 0.019 56.220 56.287 -0.143 0.000 1.077 533 K CB 0.338 32.734 32.500 -0.173 0.000 0.833 533 K HN 0.105 nan 8.250 nan 0.000 0.517 534 V N 1.800 121.680 119.914 -0.057 0.000 2.455 534 V HA -0.032 4.091 4.120 0.005 0.000 0.273 534 V C 1.424 177.505 176.094 -0.022 0.000 1.045 534 V CA -0.013 62.283 62.300 -0.007 0.000 0.976 534 V CB 1.407 33.191 31.823 -0.065 0.000 0.993 534 V HN -0.021 nan 8.190 nan 0.000 0.475 535 V N 5.213 125.139 119.914 0.020 0.000 2.379 535 V HA -0.038 4.085 4.120 0.005 0.000 0.245 535 V C 1.340 177.432 176.094 -0.004 0.000 1.044 535 V CA 1.207 63.518 62.300 0.018 0.000 1.036 535 V CB -0.431 31.423 31.823 0.051 0.000 0.664 535 V HN 0.763 nan 8.190 nan 0.000 0.453 536 R N 1.210 121.691 120.500 -0.031 0.000 2.291 536 R HA 0.139 4.482 4.340 0.005 0.000 0.333 536 R C -1.627 174.588 176.300 -0.141 0.000 1.082 536 R CA -1.260 54.811 56.100 -0.048 0.000 0.948 536 R CB 0.419 30.651 30.300 -0.113 0.000 1.009 536 R HN 0.290 nan 8.270 nan 0.000 0.460 537 P HA -0.209 nan 4.420 nan 0.000 0.218 537 P C 0.754 178.026 177.300 -0.047 0.000 1.148 537 P CA 1.155 64.233 63.100 -0.037 0.000 0.822 537 P CB -0.056 31.651 31.700 0.013 0.000 0.784 538 Y N -1.081 119.216 120.300 -0.004 0.000 2.274 538 Y HA -0.110 4.443 4.550 0.005 0.000 0.290 538 Y C 2.003 177.905 175.900 0.004 0.000 1.145 538 Y CA 0.791 58.889 58.100 -0.002 0.000 1.203 538 Y CB -1.752 36.707 38.460 -0.001 0.000 0.984 538 Y HN -0.133 nan 8.280 nan 0.000 0.533 539 I N 0.890 120.998 120.570 -0.768 0.000 2.252 539 I HA -0.251 3.922 4.170 0.005 0.000 0.245 539 I C 2.556 178.561 176.117 -0.186 0.000 1.102 539 I CA 1.441 62.467 61.300 -0.456 0.000 1.385 539 I CB -0.370 37.366 38.000 -0.440 0.000 1.064 539 I HN 0.194 nan 8.210 nan 0.000 0.414 540 R N 0.710 121.098 120.500 -0.188 0.000 2.081 540 R HA -0.190 4.153 4.340 0.005 0.000 0.235 540 R C 2.153 178.391 176.300 -0.103 0.000 1.131 540 R CA 1.541 57.546 56.100 -0.159 0.000 0.960 540 R CB -0.409 29.801 30.300 -0.150 0.000 0.856 540 R HN 0.433 nan 8.270 nan 0.000 0.436 541 E N 0.405 120.566 120.200 -0.065 0.000 2.077 541 E HA -0.162 4.191 4.350 0.005 0.000 0.193 541 E C 2.148 178.743 176.600 -0.008 0.000 0.989 541 E CA 1.129 57.514 56.400 -0.025 0.000 0.800 541 E CB 0.003 29.712 29.700 0.016 0.000 0.746 541 E HN 0.266 nan 8.360 nan 0.000 0.452 542 R N 0.289 120.796 120.500 0.011 0.000 2.081 542 R HA -0.113 4.230 4.340 0.005 0.000 0.235 542 R C 2.440 178.758 176.300 0.031 0.000 1.131 542 R CA 1.179 57.302 56.100 0.039 0.000 0.960 542 R CB -0.449 29.890 30.300 0.066 0.000 0.856 542 R HN 0.054 nan 8.270 nan 0.000 0.436 543 V N 0.595 120.521 119.914 0.020 0.000 2.287 543 V HA -0.245 3.878 4.120 0.005 0.000 0.248 543 V C 2.342 178.417 176.094 -0.031 0.000 1.053 543 V CA 1.755 64.081 62.300 0.042 0.000 1.027 543 V CB -0.414 31.430 31.823 0.036 0.000 0.646 543 V HN 0.147 nan 8.190 nan 0.000 0.447 544 V N 0.452 120.319 119.914 -0.078 0.000 2.392 544 V HA -0.339 3.784 4.120 0.005 0.000 0.249 544 V C 2.302 178.353 176.094 -0.071 0.000 1.059 544 V CA 2.501 64.734 62.300 -0.111 0.000 1.051 544 V CB -0.735 31.026 31.823 -0.103 0.000 0.658 544 V HN 0.682 nan 8.190 nan 0.000 0.455 545 D N -0.902 119.490 120.400 -0.013 0.000 2.123 545 D HA -0.197 4.446 4.640 0.005 0.000 0.196 545 D C 2.268 178.648 176.300 0.134 0.000 0.992 545 D CA 1.122 55.145 54.000 0.039 0.000 0.833 545 D CB -0.026 40.820 40.800 0.077 0.000 0.954 545 D HN 0.314 nan 8.370 nan 0.000 0.455 546 Q N -0.094 119.775 119.800 0.114 0.000 2.096 546 Q HA -0.118 4.225 4.340 0.005 0.000 0.204 546 Q C 2.567 178.612 176.000 0.074 0.000 0.982 546 Q CA 0.811 56.705 55.803 0.152 0.000 0.850 546 Q CB -0.447 28.377 28.738 0.144 0.000 0.901 546 Q HN 0.463 nan 8.270 nan 0.000 0.422 547 L N -0.014 121.169 121.223 -0.067 0.000 2.083 547 L HA -0.146 4.197 4.340 0.005 0.000 0.209 547 L C 2.409 179.159 176.870 -0.200 0.000 1.083 547 L CA 0.995 55.718 54.840 -0.196 0.000 0.752 547 L CB -0.731 41.112 42.059 -0.359 0.000 0.899 547 L HN 0.108 nan 8.230 nan 0.000 0.433 548 A N -0.401 122.308 122.820 -0.185 0.000 2.019 548 A HA -0.232 4.091 4.320 0.005 0.000 0.219 548 A C 1.839 179.200 177.584 -0.371 0.000 1.164 548 A CA 1.557 53.434 52.037 -0.267 0.000 0.644 548 A CB -0.796 18.037 19.000 -0.279 0.000 0.805 548 A HN 0.473 nan 8.150 nan 0.000 0.449 549 H N -1.265 117.599 119.070 -0.343 0.000 2.547 549 H HA 0.200 4.760 4.556 0.006 0.000 0.272 549 H C 1.589 176.643 175.328 -0.456 0.000 0.989 549 H CA 1.135 56.844 56.048 -0.565 0.000 1.214 549 H CB 0.004 29.021 29.762 -1.242 0.000 1.389 549 H HN 0.514 nan 8.280 nan 0.000 0.577 550 I N -1.122 119.352 120.570 -0.161 0.000 2.681 550 I HA 0.059 4.232 4.170 0.005 0.000 0.247 550 I C -0.073 175.975 176.117 -0.116 0.000 1.091 550 I CA 0.546 61.819 61.300 -0.045 0.000 1.442 550 I CB 0.664 38.662 38.000 -0.002 0.000 1.219 550 I HN 0.103 nan 8.210 nan 0.000 0.451 551 D N -0.530 119.729 120.400 -0.236 0.000 2.871 551 D HA 0.136 4.779 4.640 0.005 0.000 0.209 551 D C 0.258 176.375 176.300 -0.305 0.000 1.292 551 D CA -0.356 53.478 54.000 -0.277 0.000 0.869 551 D CB 1.322 41.839 40.800 -0.471 0.000 1.663 551 D HN -0.044 nan 8.370 nan 0.000 0.557 552 L N 3.122 124.225 121.223 -0.200 0.000 2.093 552 L HA -0.053 4.290 4.340 0.005 0.000 0.208 552 L C 1.227 178.006 176.870 -0.151 0.000 1.085 552 L CA 1.931 56.671 54.840 -0.167 0.000 0.755 552 L CB -0.650 41.340 42.059 -0.114 0.000 0.904 552 L HN 0.586 nan 8.230 nan 0.000 0.435 553 T N 0.867 115.348 114.554 -0.121 0.000 2.737 553 T HA -0.187 4.166 4.350 0.005 0.000 0.265 553 T C 1.858 176.474 174.700 -0.139 0.000 1.038 553 T CA 1.505 63.576 62.100 -0.048 0.000 1.144 553 T CB -0.337 68.592 68.868 0.103 0.000 0.866 553 T HN 0.291 nan 8.240 nan 0.000 0.434 554 L N 1.839 122.800 121.223 -0.436 0.000 2.012 554 L HA 0.015 4.358 4.340 0.005 0.000 0.210 554 L C 2.591 179.233 176.870 -0.381 0.000 1.073 554 L CA 2.100 56.540 54.840 -0.667 0.000 0.748 554 L CB -1.274 40.025 42.059 -1.267 0.000 0.891 554 L HN 0.220 nan 8.230 nan 0.000 0.431 555 A N -1.048 121.564 122.820 -0.346 0.000 1.883 555 A HA -0.273 4.051 4.320 0.005 0.000 0.217 555 A C 2.233 179.715 177.584 -0.170 0.000 1.186 555 A CA 1.989 53.871 52.037 -0.258 0.000 0.624 555 A CB -0.702 18.157 19.000 -0.235 0.000 0.822 555 A HN 0.689 nan 8.150 nan 0.000 0.444 556 Q N -0.970 118.753 119.800 -0.129 0.000 2.119 556 Q HA -0.088 4.255 4.340 0.005 0.000 0.201 556 Q C 2.422 178.393 176.000 -0.049 0.000 0.972 556 Q CA 1.280 57.036 55.803 -0.077 0.000 0.847 556 Q CB -0.329 28.377 28.738 -0.053 0.000 0.903 556 Q HN 0.697 nan 8.270 nan 0.000 0.433 557 A N 0.101 122.897 122.820 -0.040 0.000 1.930 557 A HA -0.098 4.225 4.320 0.005 0.000 0.217 557 A C 2.249 179.834 177.584 0.002 0.000 1.175 557 A CA 1.063 53.105 52.037 0.009 0.000 0.627 557 A CB -0.403 18.632 19.000 0.058 0.000 0.815 557 A HN 0.199 nan 8.150 nan 0.000 0.443 558 V N -0.286 119.602 119.914 -0.045 0.000 2.379 558 V HA -0.151 3.972 4.120 0.005 0.000 0.245 558 V C 3.016 179.078 176.094 -0.054 0.000 1.044 558 V CA 1.633 63.907 62.300 -0.043 0.000 1.036 558 V CB -1.044 30.714 31.823 -0.110 0.000 0.664 558 V HN 0.584 nan 8.190 nan 0.000 0.453 559 A N -0.418 122.358 122.820 -0.072 0.000 1.933 559 A HA -0.250 4.073 4.320 0.005 0.000 0.218 559 A C 2.351 179.915 177.584 -0.034 0.000 1.175 559 A CA 2.021 54.022 52.037 -0.061 0.000 0.628 559 A CB -0.472 18.488 19.000 -0.066 0.000 0.814 559 A HN 0.445 nan 8.150 nan 0.000 0.444 560 K N -0.216 120.171 120.400 -0.021 0.000 2.057 560 K HA -0.156 4.167 4.320 0.005 0.000 0.207 560 K C 1.202 177.805 176.600 0.006 0.000 1.049 560 K CA 1.501 57.785 56.287 -0.004 0.000 0.931 560 K CB -0.216 32.288 32.500 0.007 0.000 0.714 560 K HN 0.475 nan 8.250 nan 0.000 0.440 561 N N 0.555 119.262 118.700 0.012 0.000 2.457 561 N HA -0.083 4.660 4.740 0.005 0.000 0.180 561 N C 1.045 176.557 175.510 0.005 0.000 1.050 561 N CA 0.573 53.637 53.050 0.023 0.000 0.906 561 N CB 0.193 38.708 38.487 0.046 0.000 0.968 561 N HN 0.135 nan 8.380 nan 0.000 0.445 562 L N -0.334 120.880 121.223 -0.016 0.000 2.607 562 L HA 0.279 4.622 4.340 0.005 0.000 0.228 562 L C 1.215 178.072 176.870 -0.021 0.000 1.123 562 L CA 0.135 54.957 54.840 -0.030 0.000 0.890 562 L CB -1.199 40.827 42.059 -0.055 0.000 1.103 562 L HN 0.143 nan 8.230 nan 0.000 0.468 563 G N 1.091 109.883 108.800 -0.013 0.000 2.246 563 G HA2 -0.284 3.679 3.960 0.005 0.000 0.273 563 G HA3 -0.284 3.679 3.960 0.005 0.000 0.273 563 G C 0.215 175.107 174.900 -0.014 0.000 1.055 563 G CA 0.238 45.333 45.100 -0.009 0.000 0.851 563 G HN 0.328 nan 8.290 nan 0.000 0.500 564 I N -0.285 120.272 120.570 -0.022 0.000 2.493 564 I HA 0.380 4.553 4.170 0.005 0.000 0.298 564 I C 0.187 176.288 176.117 -0.026 0.000 0.998 564 I CA -0.805 60.480 61.300 -0.025 0.000 1.137 564 I CB 1.779 39.758 38.000 -0.036 0.000 1.310 564 I HN 0.003 nan 8.210 nan 0.000 0.445 565 E N 5.628 125.814 120.200 -0.023 0.000 2.109 565 E HA 0.288 4.641 4.350 0.005 0.000 0.278 565 E C -0.906 175.675 176.600 -0.032 0.000 0.954 565 E CA -0.886 55.500 56.400 -0.025 0.000 0.779 565 E CB 1.467 31.157 29.700 -0.018 0.000 1.093 565 E HN 0.283 nan 8.360 nan 0.000 0.401 566 L N 3.003 124.201 121.223 -0.042 0.000 2.485 566 L HA 0.038 4.381 4.340 0.005 0.000 0.275 566 L C 1.356 178.201 176.870 -0.042 0.000 1.207 566 L CA 0.518 55.327 54.840 -0.051 0.000 0.855 566 L CB -0.165 41.854 42.059 -0.067 0.000 1.114 566 L HN 0.593 nan 8.230 nan 0.000 0.485 567 T N -1.520 113.008 114.554 -0.042 0.000 2.816 567 T HA 0.161 4.514 4.350 0.005 0.000 0.282 567 T C 1.102 175.777 174.700 -0.042 0.000 0.993 567 T CA -0.117 61.962 62.100 -0.035 0.000 0.994 567 T CB 0.688 69.539 68.868 -0.029 0.000 1.025 567 T HN 0.638 nan 8.240 nan 0.000 0.529 568 D N 0.821 121.201 120.400 -0.034 0.000 2.160 568 D HA -0.238 4.405 4.640 0.005 0.000 0.189 568 D C 1.296 177.570 176.300 -0.042 0.000 1.003 568 D CA 1.604 55.584 54.000 -0.033 0.000 0.846 568 D CB -0.512 40.274 40.800 -0.024 0.000 0.949 568 D HN 0.553 nan 8.370 nan 0.000 0.446 569 D N -0.021 120.354 120.400 -0.041 0.000 2.123 569 D HA -0.130 4.513 4.640 0.005 0.000 0.196 569 D C 2.171 178.423 176.300 -0.080 0.000 0.992 569 D CA 0.966 54.937 54.000 -0.048 0.000 0.833 569 D CB -0.292 40.488 40.800 -0.035 0.000 0.954 569 D HN 0.428 nan 8.370 nan 0.000 0.455 570 Q N -0.630 119.117 119.800 -0.088 0.000 2.297 570 Q HA -0.028 4.315 4.340 0.005 0.000 0.204 570 Q C 1.495 177.410 176.000 -0.142 0.000 0.962 570 Q CA 0.300 56.021 55.803 -0.136 0.000 0.879 570 Q CB 0.227 28.893 28.738 -0.119 0.000 0.947 570 Q HN 0.184 nan 8.270 nan 0.000 0.462 571 L N 0.717 121.880 121.223 -0.100 0.000 2.395 571 L HA -0.037 4.306 4.340 0.005 0.000 0.218 571 L C 1.116 177.934 176.870 -0.087 0.000 1.130 571 L CA 1.246 56.032 54.840 -0.089 0.000 0.826 571 L CB -0.427 41.595 42.059 -0.063 0.000 0.941 571 L HN 0.215 nan 8.230 nan 0.000 0.451 572 N N -0.582 118.066 118.700 -0.087 0.000 2.280 572 N HA 0.144 4.888 4.740 0.005 0.000 0.192 572 N C 0.557 176.008 175.510 -0.098 0.000 1.109 572 N CA 0.003 53.008 53.050 -0.075 0.000 0.855 572 N CB 0.539 38.994 38.487 -0.053 0.000 0.974 572 N HN 0.228 nan 8.380 nan 0.000 0.482 573 I N 1.811 122.288 120.570 -0.156 0.000 2.742 573 I HA -0.084 4.089 4.170 0.005 0.000 0.287 573 I C 0.356 176.385 176.117 -0.146 0.000 1.186 573 I CA 0.508 61.686 61.300 -0.202 0.000 1.417 573 I CB -0.039 37.708 38.000 -0.422 0.000 1.377 573 I HN -0.172 nan 8.210 nan 0.000 0.556 574 T N 8.531 123.031 114.554 -0.090 0.000 2.799 574 T HA 0.150 4.503 4.350 0.005 0.000 0.296 574 T C -1.851 172.822 174.700 -0.045 0.000 0.947 574 T CA -0.830 61.240 62.100 -0.049 0.000 1.141 574 T CB 0.130 68.988 68.868 -0.017 0.000 0.891 574 T HN 0.431 nan 8.240 nan 0.000 0.533 575 P HA 0.191 nan 4.420 nan 0.000 0.269 575 P C -2.505 174.815 177.300 0.033 0.000 1.217 575 P CA -1.302 61.789 63.100 -0.015 0.000 0.783 575 P CB -0.444 31.256 31.700 0.001 0.000 0.898 576 P HA 0.301 nan 4.420 nan 0.000 0.276 576 P C -2.483 174.875 177.300 0.096 0.000 1.244 576 P CA -1.638 61.535 63.100 0.122 0.000 0.801 576 P CB -1.039 30.784 31.700 0.204 0.000 1.006 577 P HA 0.134 nan 4.420 nan 0.000 0.272 577 P C -0.138 177.211 177.300 0.081 0.000 1.230 577 P CA 0.085 63.232 63.100 0.078 0.000 0.788 577 P CB 0.271 32.016 31.700 0.075 0.000 0.949 578 D N -0.349 120.090 120.400 0.066 0.000 2.372 578 D HA 0.084 4.727 4.640 0.005 0.000 0.243 578 D C -0.140 176.201 176.300 0.067 0.000 1.297 578 D CA 0.119 54.153 54.000 0.057 0.000 0.958 578 D CB 0.335 41.164 40.800 0.047 0.000 1.114 578 D HN -0.019 nan 8.370 nan 0.000 0.496 579 V N 1.659 121.603 119.914 0.049 0.000 2.333 579 V HA 0.078 4.201 4.120 0.005 0.000 0.274 579 V C 0.062 176.237 176.094 0.134 0.000 1.028 579 V CA -0.514 61.838 62.300 0.086 0.000 0.851 579 V CB 0.221 32.008 31.823 -0.061 0.000 1.000 579 V HN 0.566 nan 8.190 nan 0.000 0.456 580 N N 4.259 123.055 118.700 0.159 0.000 2.716 580 N HA -0.224 4.519 4.740 0.005 0.000 0.250 580 N C 1.128 176.691 175.510 0.088 0.000 1.033 580 N CA 1.111 54.238 53.050 0.129 0.000 0.727 580 N CB -0.855 37.748 38.487 0.193 0.000 0.950 580 N HN 1.354 nan 8.380 nan 0.000 0.541 581 G N -1.873 106.968 108.800 0.069 0.000 2.155 581 G HA2 -0.327 3.636 3.960 0.005 0.000 0.257 581 G HA3 -0.327 3.636 3.960 0.005 0.000 0.257 581 G C 0.025 174.953 174.900 0.047 0.000 0.983 581 G CA 0.438 45.568 45.100 0.050 0.000 0.676 581 G HN 0.434 nan 8.290 nan 0.000 0.528 582 L N 0.492 121.746 121.223 0.051 0.000 2.289 582 L HA 0.501 4.844 4.340 0.005 0.000 0.285 582 L C 1.240 178.125 176.870 0.025 0.000 1.049 582 L CA -0.761 54.101 54.840 0.037 0.000 0.804 582 L CB 1.300 43.382 42.059 0.038 0.000 1.195 582 L HN 0.147 nan 8.230 nan 0.000 0.428 583 K N 3.764 124.175 120.400 0.018 0.000 2.593 583 K HA 0.274 4.598 4.320 0.005 0.000 0.208 583 K C -0.704 175.894 176.600 -0.003 0.000 1.051 583 K CA -0.308 55.987 56.287 0.015 0.000 1.111 583 K CB 0.218 32.728 32.500 0.016 0.000 0.849 583 K HN 0.736 nan 8.250 nan 0.000 0.479 584 K N -0.843 119.551 120.400 -0.010 0.000 3.189 584 K HA 0.147 4.470 4.320 0.005 0.000 0.368 584 K C -2.353 174.233 176.600 -0.023 0.000 1.185 584 K CA -0.642 55.622 56.287 -0.038 0.000 0.941 584 K CB -0.120 32.339 32.500 -0.068 0.000 1.325 584 K HN -0.097 nan 8.250 nan 0.000 0.411 585 D N 2.241 122.622 120.400 -0.032 0.000 2.470 585 D HA 0.314 4.957 4.640 0.005 0.000 0.233 585 D C -2.140 174.147 176.300 -0.021 0.000 1.372 585 D CA -1.979 52.021 54.000 -0.000 0.000 0.994 585 D CB 2.150 42.974 40.800 0.039 0.000 1.377 585 D HN 0.272 nan 8.370 nan 0.000 0.586 586 P HA -0.125 nan 4.420 nan 0.000 0.219 586 P C 1.371 178.665 177.300 -0.009 0.000 1.146 586 P CA 0.945 64.021 63.100 -0.040 0.000 0.808 586 P CB 0.138 31.825 31.700 -0.022 0.000 0.779 587 S N -0.793 114.934 115.700 0.046 0.000 2.469 587 S HA -0.093 4.380 4.470 0.005 0.000 0.238 587 S C 1.716 176.403 174.600 0.146 0.000 0.998 587 S CA 0.879 59.142 58.200 0.105 0.000 0.957 587 S CB -1.514 61.771 63.200 0.142 0.000 0.764 587 S HN 0.134 nan 8.310 nan 0.000 0.514 588 L N 1.367 122.646 121.223 0.093 0.000 2.418 588 L HA 0.213 4.556 4.340 0.005 0.000 0.218 588 L C 1.573 178.351 176.870 -0.153 0.000 1.125 588 L CA 0.195 55.089 54.840 0.089 0.000 0.835 588 L CB -0.370 41.743 42.059 0.091 0.000 0.953 588 L HN 0.339 nan 8.230 nan 0.000 0.454 589 S N -0.405 115.177 115.700 -0.197 0.000 2.601 589 S HA 0.278 4.751 4.470 0.005 0.000 0.271 589 S C 1.052 175.524 174.600 -0.214 0.000 1.305 589 S CA -0.590 57.432 58.200 -0.296 0.000 1.022 589 S CB 1.336 64.356 63.200 -0.299 0.000 0.940 589 S HN 0.170 nan 8.310 nan 0.000 0.525 590 L N 2.284 123.303 121.223 -0.341 0.000 2.162 590 L HA 0.068 4.411 4.340 0.005 0.000 0.205 590 L C 1.164 177.716 176.870 -0.530 0.000 1.086 590 L CA 0.976 55.520 54.840 -0.493 0.000 0.778 590 L CB -0.289 41.233 42.059 -0.895 0.000 0.928 590 L HN 0.766 nan 8.230 nan 0.000 0.446 591 Y N -1.746 118.550 120.300 -0.007 0.000 2.462 591 Y HA 0.298 4.851 4.550 0.005 0.000 0.253 591 Y C 2.327 178.239 175.900 0.021 0.000 1.095 591 Y CA -0.055 58.085 58.100 0.067 0.000 1.283 591 Y CB -0.655 37.889 38.460 0.141 0.000 1.138 591 Y HN -0.012 nan 8.280 nan 0.000 0.522 592 A N 0.909 123.738 122.820 0.014 0.000 1.927 592 A HA -0.165 4.158 4.320 0.005 0.000 0.220 592 A C 0.967 178.580 177.584 0.048 0.000 1.185 592 A CA 1.396 53.425 52.037 -0.013 0.000 0.639 592 A CB -0.938 18.004 19.000 -0.097 0.000 0.820 592 A HN 0.342 nan 8.150 nan 0.000 0.451 593 I N 0.927 121.532 120.570 0.058 0.000 2.390 593 I HA 0.240 4.413 4.170 0.005 0.000 0.283 593 I C -2.379 173.803 176.117 0.108 0.000 1.016 593 I CA -2.260 59.085 61.300 0.074 0.000 1.151 593 I CB 1.513 39.545 38.000 0.054 0.000 1.293 593 I HN -0.002 nan 8.210 nan 0.000 0.458 594 P HA -0.123 nan 4.420 nan 0.000 0.255 594 P C -0.229 177.143 177.300 0.121 0.000 1.141 594 P CA 0.717 63.905 63.100 0.147 0.000 0.767 594 P CB 0.255 32.025 31.700 0.117 0.000 0.726 595 D N 1.259 121.739 120.400 0.133 0.000 2.523 595 D HA 0.064 4.707 4.640 0.005 0.000 0.269 595 D C 0.668 177.025 176.300 0.095 0.000 1.374 595 D CA -0.226 53.834 54.000 0.100 0.000 0.820 595 D CB -0.415 40.439 40.800 0.090 0.000 1.211 595 D HN 0.299 nan 8.370 nan 0.000 0.502 596 G N 0.195 109.067 108.800 0.120 0.000 2.554 596 G HA2 0.348 4.311 3.960 0.005 0.000 0.238 596 G HA3 0.348 4.311 3.960 0.005 0.000 0.238 596 G C -0.703 174.241 174.900 0.072 0.000 1.259 596 G CA 0.047 45.210 45.100 0.105 0.000 0.843 596 G HN 0.166 nan 8.290 nan 0.000 0.582 597 D N -0.184 120.249 120.400 0.054 0.000 2.896 597 D HA 0.259 4.902 4.640 0.005 0.000 0.241 597 D C 0.949 177.265 176.300 0.027 0.000 1.188 597 D CA -0.451 53.568 54.000 0.032 0.000 0.879 597 D CB 1.989 42.800 40.800 0.018 0.000 1.553 597 D HN 0.332 nan 8.370 nan 0.000 0.515 598 V N 1.803 121.726 119.914 0.015 0.000 3.235 598 V HA 0.241 4.364 4.120 0.005 0.000 0.259 598 V C 1.001 177.079 176.094 -0.026 0.000 1.133 598 V CA 0.285 62.588 62.300 0.005 0.000 1.128 598 V CB -0.650 31.170 31.823 -0.003 0.000 0.757 598 V HN 0.448 nan 8.190 nan 0.000 0.469 599 K N 1.310 121.688 120.400 -0.037 0.000 2.453 599 K HA 0.361 4.684 4.320 0.005 0.000 0.280 599 K C 1.197 177.761 176.600 -0.061 0.000 1.045 599 K CA 1.061 57.305 56.287 -0.071 0.000 1.059 599 K CB -0.049 32.412 32.500 -0.064 0.000 0.901 599 K HN 0.752 nan 8.250 nan 0.000 0.475 600 G N 3.483 112.220 108.800 -0.105 0.000 2.213 600 G HA2 -0.193 3.770 3.960 0.005 0.000 0.226 600 G HA3 -0.193 3.770 3.960 0.005 0.000 0.226 600 G C 0.065 175.008 174.900 0.071 0.000 0.992 600 G CA -0.423 44.678 45.100 0.002 0.000 0.632 600 G HN 0.549 nan 8.290 nan 0.000 0.511 601 R N -0.035 120.480 120.500 0.024 0.000 2.738 601 R HA 0.644 4.987 4.340 0.005 0.000 0.275 601 R C 0.257 176.613 176.300 0.093 0.000 1.121 601 R CA -0.002 56.142 56.100 0.072 0.000 1.207 601 R CB 0.391 30.730 30.300 0.065 0.000 1.141 601 R HN 0.412 nan 8.270 nan 0.000 0.571 602 V N 0.281 120.267 119.914 0.119 0.000 2.789 602 V HA 0.415 4.539 4.120 0.005 0.000 0.311 602 V C -0.317 175.840 176.094 0.106 0.000 1.073 602 V CA -0.932 61.451 62.300 0.138 0.000 0.921 602 V CB 2.361 34.283 31.823 0.165 0.000 1.009 602 V HN 0.354 nan 8.190 nan 0.000 0.426 603 V N 2.559 122.532 119.914 0.097 0.000 2.555 603 V HA 0.808 4.931 4.120 0.005 0.000 0.302 603 V C 0.348 176.499 176.094 0.094 0.000 1.038 603 V CA -0.541 61.807 62.300 0.081 0.000 0.887 603 V CB 1.945 33.800 31.823 0.054 0.000 0.991 603 V HN 1.077 nan 8.190 nan 0.000 0.434 604 A N 5.821 128.704 122.820 0.105 0.000 2.309 604 A HA 0.817 5.140 4.320 0.005 0.000 0.298 604 A C -0.523 177.076 177.584 0.026 0.000 1.165 604 A CA -0.330 51.760 52.037 0.088 0.000 0.821 604 A CB 0.219 19.309 19.000 0.149 0.000 1.102 604 A HN 0.771 nan 8.150 nan 0.000 0.500 605 I N 3.448 124.027 120.570 0.015 0.000 2.390 605 I HA 0.194 4.367 4.170 0.005 0.000 0.283 605 I C -0.599 175.523 176.117 0.008 0.000 1.016 605 I CA -0.171 61.138 61.300 0.015 0.000 1.151 605 I CB 1.277 39.298 38.000 0.035 0.000 1.293 605 I HN 0.495 nan 8.210 nan 0.000 0.458 606 L N 7.133 128.340 121.223 -0.028 0.000 2.325 606 L HA 0.344 4.687 4.340 0.005 0.000 0.284 606 L C 0.079 177.034 176.870 0.143 0.000 1.089 606 L CA -0.172 54.692 54.840 0.041 0.000 0.836 606 L CB 0.192 42.128 42.059 -0.205 0.000 1.184 606 L HN 0.448 nan 8.230 nan 0.000 0.444 607 L N 3.745 125.108 121.223 0.233 0.000 2.456 607 L HA 0.351 4.694 4.340 0.005 0.000 0.257 607 L C 0.060 177.101 176.870 0.285 0.000 1.162 607 L CA -0.458 54.475 54.840 0.155 0.000 0.808 607 L CB 1.258 43.307 42.059 -0.016 0.000 1.136 607 L HN 0.709 nan 8.230 nan 0.000 0.466 608 N N -2.133 116.628 118.700 0.101 0.000 2.697 608 N HA 0.220 4.963 4.740 0.005 0.000 0.272 608 N C -0.317 175.158 175.510 -0.058 0.000 1.381 608 N CA -0.730 52.421 53.050 0.169 0.000 0.797 608 N CB 0.771 39.361 38.487 0.172 0.000 1.523 608 N HN 0.511 nan 8.380 nan 0.000 0.518 609 D N -1.746 118.668 120.400 0.023 0.000 2.317 609 D HA -0.014 4.629 4.640 0.005 0.000 0.211 609 D C -0.285 175.982 176.300 -0.055 0.000 0.966 609 D CA 0.993 54.955 54.000 -0.062 0.000 0.876 609 D CB -0.005 40.822 40.800 0.046 0.000 0.927 609 D HN 0.621 nan 8.370 nan 0.000 0.519 610 E N 0.216 120.402 120.200 -0.024 0.000 3.666 610 E HA 0.274 4.627 4.350 0.005 0.000 0.230 610 E C -1.244 175.343 176.600 -0.021 0.000 1.235 610 E CA -0.478 55.907 56.400 -0.025 0.000 1.096 610 E CB 0.990 30.685 29.700 -0.009 0.000 1.287 610 E HN -0.090 nan 8.360 nan 0.000 0.406 611 V N 1.739 121.631 119.914 -0.037 0.000 2.763 611 V HA 0.061 4.184 4.120 0.005 0.000 0.306 611 V C 0.912 176.990 176.094 -0.026 0.000 1.059 611 V CA -0.033 62.252 62.300 -0.026 0.000 1.138 611 V CB 0.810 32.611 31.823 -0.038 0.000 0.940 611 V HN 0.432 nan 8.190 nan 0.000 0.489 612 R N 3.271 123.758 120.500 -0.023 0.000 3.572 612 R HA 0.034 4.377 4.340 0.005 0.000 0.186 612 R C 1.859 178.139 176.300 -0.035 0.000 1.727 612 R CA 0.729 56.810 56.100 -0.031 0.000 1.267 612 R CB -0.834 29.443 30.300 -0.039 0.000 1.318 612 R HN 0.990 nan 8.270 nan 0.000 0.718 613 S N 0.376 116.058 115.700 -0.031 0.000 2.453 613 S HA -0.351 4.122 4.470 0.005 0.000 0.250 613 S C 1.820 176.401 174.600 -0.031 0.000 1.044 613 S CA 1.556 59.738 58.200 -0.030 0.000 1.010 613 S CB -0.138 63.045 63.200 -0.027 0.000 0.793 613 S HN 0.526 nan 8.310 nan 0.000 0.493 614 A N 0.697 123.495 122.820 -0.036 0.000 2.123 614 A HA 0.094 4.417 4.320 0.005 0.000 0.214 614 A C 1.866 179.416 177.584 -0.056 0.000 1.152 614 A CA 0.999 53.011 52.037 -0.041 0.000 0.728 614 A CB -0.274 18.700 19.000 -0.043 0.000 0.814 614 A HN 0.552 nan 8.150 nan 0.000 0.464 615 D N -0.172 120.189 120.400 -0.065 0.000 2.197 615 D HA 0.001 4.644 4.640 0.005 0.000 0.212 615 D C 2.004 178.275 176.300 -0.049 0.000 0.963 615 D CA 0.478 54.423 54.000 -0.092 0.000 0.864 615 D CB -0.226 40.504 40.800 -0.117 0.000 1.009 615 D HN 0.345 nan 8.370 nan 0.000 0.479 616 L N 0.630 121.835 121.223 -0.030 0.000 1.989 616 L HA -0.195 4.148 4.340 0.005 0.000 0.211 616 L C 2.576 179.443 176.870 -0.005 0.000 1.071 616 L CA 0.970 55.804 54.840 -0.010 0.000 0.749 616 L CB -0.413 41.640 42.059 -0.010 0.000 0.890 616 L HN 0.066 nan 8.230 nan 0.000 0.431 617 L N -0.547 120.669 121.223 -0.012 0.000 1.997 617 L HA -0.290 4.053 4.340 0.005 0.000 0.216 617 L C 2.806 179.675 176.870 -0.002 0.000 1.074 617 L CA 1.637 56.472 54.840 -0.007 0.000 0.763 617 L CB -0.713 41.339 42.059 -0.012 0.000 0.890 617 L HN 0.307 nan 8.230 nan 0.000 0.434 618 A N -0.217 122.597 122.820 -0.010 0.000 1.933 618 A HA -0.181 4.142 4.320 0.005 0.000 0.218 618 A C 2.195 179.797 177.584 0.029 0.000 1.175 618 A CA 1.585 53.623 52.037 0.002 0.000 0.628 618 A CB -0.679 18.310 19.000 -0.018 0.000 0.814 618 A HN 0.374 nan 8.150 nan 0.000 0.444 619 I N -0.363 120.227 120.570 0.033 0.000 2.076 619 I HA -0.284 3.889 4.170 0.005 0.000 0.237 619 I C 2.389 178.535 176.117 0.048 0.000 1.059 619 I CA 1.463 62.803 61.300 0.067 0.000 1.317 619 I CB -0.380 37.663 38.000 0.072 0.000 1.037 619 I HN 0.281 nan 8.210 nan 0.000 0.398 620 L N 0.338 121.581 121.223 0.032 0.000 2.131 620 L HA -0.214 4.129 4.340 0.005 0.000 0.210 620 L C 2.592 179.474 176.870 0.021 0.000 1.092 620 L CA 1.200 56.056 54.840 0.027 0.000 0.759 620 L CB -0.561 41.512 42.059 0.023 0.000 0.903 620 L HN 0.268 nan 8.230 nan 0.000 0.435 621 K N 0.500 120.910 120.400 0.018 0.000 2.025 621 K HA -0.167 4.156 4.320 0.005 0.000 0.207 621 K C 2.164 178.772 176.600 0.012 0.000 1.049 621 K CA 1.354 57.649 56.287 0.013 0.000 0.933 621 K CB -0.048 32.458 32.500 0.011 0.000 0.714 621 K HN 0.257 nan 8.250 nan 0.000 0.438 622 A N 1.185 124.017 122.820 0.021 0.000 1.930 622 A HA -0.081 4.242 4.320 0.005 0.000 0.217 622 A C 2.082 179.670 177.584 0.007 0.000 1.175 622 A CA 1.036 53.084 52.037 0.019 0.000 0.627 622 A CB -0.475 18.547 19.000 0.037 0.000 0.815 622 A HN 0.283 nan 8.150 nan 0.000 0.443 623 L N -0.776 120.452 121.223 0.008 0.000 2.027 623 L HA -0.185 4.158 4.340 0.005 0.000 0.206 623 L C 2.597 179.445 176.870 -0.036 0.000 1.074 623 L CA 1.936 56.769 54.840 -0.011 0.000 0.745 623 L CB -0.453 41.608 42.059 0.003 0.000 0.898 623 L HN 0.432 nan 8.230 nan 0.000 0.433 624 K N 0.533 120.922 120.400 -0.019 0.000 2.103 624 K HA -0.177 4.146 4.320 0.005 0.000 0.207 624 K C 2.071 178.653 176.600 -0.029 0.000 1.048 624 K CA 1.359 57.632 56.287 -0.023 0.000 0.930 624 K CB -0.103 32.397 32.500 -0.001 0.000 0.716 624 K HN 0.265 nan 8.250 nan 0.000 0.444 625 A N 0.683 123.492 122.820 -0.019 0.000 1.969 625 A HA -0.090 4.233 4.320 0.005 0.000 0.218 625 A C 1.566 179.133 177.584 -0.028 0.000 1.169 625 A CA 1.317 53.344 52.037 -0.017 0.000 0.635 625 A CB -0.151 18.845 19.000 -0.007 0.000 0.810 625 A HN 0.133 nan 8.150 nan 0.000 0.445 626 K N -1.460 118.917 120.400 -0.038 0.000 2.374 626 K HA 0.200 4.523 4.320 0.005 0.000 0.196 626 K C 1.051 177.603 176.600 -0.081 0.000 1.023 626 K CA 0.644 56.903 56.287 -0.047 0.000 1.103 626 K CB -0.021 32.457 32.500 -0.038 0.000 0.848 626 K HN 0.738 nan 8.250 nan 0.000 0.528 627 G N 1.410 110.145 108.800 -0.108 0.000 2.143 627 G HA2 -0.237 3.726 3.960 0.005 0.000 0.248 627 G HA3 -0.237 3.726 3.960 0.005 0.000 0.248 627 G C 0.131 174.826 174.900 -0.341 0.000 0.991 627 G CA 0.280 45.270 45.100 -0.185 0.000 0.689 627 G HN 0.108 nan 8.290 nan 0.000 0.522 628 V N 0.810 120.571 119.914 -0.255 0.000 2.583 628 V HA 0.453 4.576 4.120 0.005 0.000 0.287 628 V C 0.864 176.780 176.094 -0.297 0.000 1.051 628 V CA -0.442 61.710 62.300 -0.247 0.000 1.010 628 V CB 0.948 32.714 31.823 -0.094 0.000 0.988 628 V HN 0.447 nan 8.190 nan 0.000 0.478 629 H N 1.649 120.731 119.070 0.020 0.000 2.495 629 H HA 0.768 5.327 4.556 0.005 0.000 0.350 629 H C 0.170 175.518 175.328 0.033 0.000 1.202 629 H CA 0.030 56.092 56.048 0.024 0.000 1.322 629 H CB 1.346 31.124 29.762 0.026 0.000 1.544 629 H HN 0.853 nan 8.280 nan 0.000 0.565 630 A N 1.302 124.229 122.820 0.178 0.000 2.401 630 A HA 0.556 4.879 4.320 0.005 0.000 0.310 630 A C -1.103 176.539 177.584 0.097 0.000 1.075 630 A CA -0.990 51.113 52.037 0.110 0.000 0.746 630 A CB 1.150 20.197 19.000 0.078 0.000 1.277 630 A HN 0.791 nan 8.150 nan 0.000 0.425 631 K N 2.245 122.696 120.400 0.085 0.000 2.507 631 K HA 0.644 4.967 4.320 0.005 0.000 0.252 631 K C -1.683 174.952 176.600 0.057 0.000 0.943 631 K CA -0.511 55.820 56.287 0.073 0.000 0.808 631 K CB 1.320 33.871 32.500 0.086 0.000 1.142 631 K HN 0.520 nan 8.250 nan 0.000 0.426 632 L N 4.482 125.730 121.223 0.041 0.000 2.283 632 L HA 0.274 4.617 4.340 0.005 0.000 0.287 632 L C -0.701 176.186 176.870 0.029 0.000 1.073 632 L CA -0.991 53.867 54.840 0.030 0.000 0.822 632 L CB 0.172 42.237 42.059 0.010 0.000 1.186 632 L HN 0.474 nan 8.230 nan 0.000 0.436 633 L N 4.364 125.614 121.223 0.045 0.000 2.331 633 L HA 0.584 4.927 4.340 0.005 0.000 0.275 633 L C -0.375 176.476 176.870 -0.032 0.000 1.022 633 L CA -0.346 54.506 54.840 0.020 0.000 0.812 633 L CB 1.347 43.459 42.059 0.088 0.000 1.257 633 L HN 0.326 nan 8.230 nan 0.000 0.435 634 Y N -0.691 119.275 120.300 -0.556 0.000 2.829 634 Y HA 0.297 4.849 4.550 0.005 0.000 0.322 634 Y C 0.930 176.121 175.900 -1.181 0.000 1.357 634 Y CA -0.725 56.892 58.100 -0.805 0.000 1.081 634 Y CB 1.475 39.740 38.460 -0.325 0.000 1.339 634 Y HN 0.562 nan 8.280 nan 0.000 0.469 635 S N 0.641 115.366 115.700 -1.625 0.000 2.562 635 S HA 0.225 4.698 4.470 0.005 0.000 0.221 635 S C 0.066 174.341 174.600 -0.541 0.000 0.975 635 S CA 0.372 57.988 58.200 -0.974 0.000 0.918 635 S CB -0.231 62.526 63.200 -0.738 0.000 0.772 635 S HN 0.605 nan 8.310 nan 0.000 0.531 636 R N -1.343 118.913 120.500 -0.407 0.000 2.752 636 R HA 0.625 4.968 4.340 0.005 0.000 0.271 636 R C -0.594 175.687 176.300 -0.031 0.000 1.026 636 R CA -1.091 54.923 56.100 -0.144 0.000 0.901 636 R CB 0.495 30.754 30.300 -0.068 0.000 1.243 636 R HN -0.103 nan 8.270 nan 0.000 0.463 637 M N 0.134 119.726 119.600 -0.014 0.000 1.917 637 M HA 0.458 4.942 4.480 0.005 0.000 0.208 637 M C 1.127 177.445 176.300 0.031 0.000 1.215 637 M CA 1.128 56.433 55.300 0.008 0.000 0.944 637 M CB 0.034 32.632 32.600 -0.004 0.000 1.225 637 M HN 1.050 nan 8.290 nan 0.000 0.519 638 G N 0.449 109.259 108.800 0.016 0.000 2.578 638 G HA2 -0.136 3.827 3.960 0.005 0.000 0.232 638 G HA3 -0.136 3.827 3.960 0.005 0.000 0.232 638 G C -0.941 173.958 174.900 -0.002 0.000 1.176 638 G CA 0.061 45.168 45.100 0.012 0.000 0.968 638 G HN 0.817 nan 8.290 nan 0.000 0.583 639 E N -1.220 118.971 120.200 -0.016 0.000 2.430 639 E HA 0.664 5.018 4.350 0.005 0.000 0.279 639 E C -0.552 175.985 176.600 -0.105 0.000 1.003 639 E CA -0.729 55.637 56.400 -0.055 0.000 0.801 639 E CB 2.494 32.168 29.700 -0.042 0.000 1.313 639 E HN 1.630 nan 8.360 nan 0.000 0.459 640 V N -2.296 117.518 119.914 -0.168 0.000 3.126 640 V HA 0.796 4.919 4.120 0.005 0.000 0.314 640 V C -0.627 175.382 176.094 -0.141 0.000 1.138 640 V CA -0.650 61.515 62.300 -0.226 0.000 1.034 640 V CB 1.926 33.475 31.823 -0.457 0.000 1.075 640 V HN 0.731 nan 8.190 nan 0.000 0.442 641 T N 2.148 116.632 114.554 -0.116 0.000 2.809 641 T HA 0.782 5.135 4.350 0.005 0.000 0.284 641 T C 0.207 174.866 174.700 -0.069 0.000 0.992 641 T CA 0.321 62.377 62.100 -0.075 0.000 0.957 641 T CB 1.217 70.054 68.868 -0.053 0.000 0.942 641 T HN 1.368 nan 8.240 nan 0.000 0.439 642 A N 2.486 125.272 122.820 -0.057 0.000 2.310 642 A HA 0.345 4.668 4.320 0.005 0.000 0.260 642 A C 1.631 179.194 177.584 -0.036 0.000 1.112 642 A CA -0.077 51.932 52.037 -0.048 0.000 0.804 642 A CB 0.033 19.009 19.000 -0.041 0.000 1.081 642 A HN 0.920 nan 8.150 nan 0.000 0.499 643 D N 0.160 120.542 120.400 -0.030 0.000 2.133 643 D HA -0.255 4.388 4.640 0.005 0.000 0.195 643 D C 0.967 177.254 176.300 -0.022 0.000 0.997 643 D CA 1.907 55.893 54.000 -0.024 0.000 0.840 643 D CB -0.494 40.293 40.800 -0.022 0.000 0.947 643 D HN 0.646 nan 8.370 nan 0.000 0.452 644 D N -0.814 119.573 120.400 -0.023 0.000 2.347 644 D HA 0.047 4.690 4.640 0.005 0.000 0.215 644 D C 1.760 178.049 176.300 -0.020 0.000 0.976 644 D CA 1.282 55.270 54.000 -0.020 0.000 0.884 644 D CB -0.197 40.591 40.800 -0.020 0.000 0.915 644 D HN 0.516 nan 8.370 nan 0.000 0.526 645 G N -0.466 108.320 108.800 -0.023 0.000 2.184 645 G HA2 -0.222 3.741 3.960 0.005 0.000 0.206 645 G HA3 -0.222 3.741 3.960 0.005 0.000 0.206 645 G C 0.333 175.218 174.900 -0.024 0.000 0.995 645 G CA 0.146 45.232 45.100 -0.022 0.000 0.651 645 G HN 0.428 nan 8.290 nan 0.000 0.511 646 T N 1.215 115.753 114.554 -0.026 0.000 2.888 646 T HA 0.409 4.763 4.350 0.005 0.000 0.301 646 T C 0.529 175.209 174.700 -0.034 0.000 1.001 646 T CA 0.164 62.248 62.100 -0.026 0.000 1.147 646 T CB 2.137 70.990 68.868 -0.025 0.000 0.931 646 T HN 0.370 nan 8.240 nan 0.000 0.541 647 V N 5.950 125.845 119.914 -0.031 0.000 2.348 647 V HA 0.277 4.400 4.120 0.005 0.000 0.270 647 V C 0.096 176.167 176.094 -0.039 0.000 1.037 647 V CA -0.479 61.798 62.300 -0.037 0.000 0.872 647 V CB 0.462 32.267 31.823 -0.029 0.000 1.002 647 V HN 0.656 nan 8.190 nan 0.000 0.464 648 L N 8.869 130.059 121.223 -0.056 0.000 2.262 648 L HA 0.442 4.785 4.340 0.005 0.000 0.288 648 L C -2.252 174.582 176.870 -0.060 0.000 1.035 648 L CA -1.839 52.967 54.840 -0.056 0.000 0.820 648 L CB 1.406 43.420 42.059 -0.074 0.000 1.204 648 L HN 0.399 nan 8.230 nan 0.000 0.424 649 P HA 0.193 nan 4.420 nan 0.000 0.271 649 P C -0.501 176.783 177.300 -0.026 0.000 1.216 649 P CA 0.046 63.130 63.100 -0.027 0.000 0.771 649 P CB 0.870 32.562 31.700 -0.013 0.000 0.864 650 I N 1.986 122.544 120.570 -0.021 0.000 2.331 650 I HA 0.267 4.440 4.170 0.005 0.000 0.292 650 I C 1.469 177.587 176.117 0.002 0.000 0.998 650 I CA -0.394 60.901 61.300 -0.009 0.000 1.267 650 I CB 1.521 39.525 38.000 0.008 0.000 1.386 650 I HN 0.341 nan 8.210 nan 0.000 0.476 651 A N 5.118 127.943 122.820 0.009 0.000 1.930 651 A HA 0.587 4.910 4.320 0.005 0.000 0.215 651 A C 0.985 178.579 177.584 0.017 0.000 1.176 651 A CA 1.233 53.279 52.037 0.016 0.000 0.632 651 A CB 0.019 19.036 19.000 0.027 0.000 0.819 651 A HN 0.808 nan 8.150 nan 0.000 0.445 652 A N -2.099 120.728 122.820 0.013 0.000 2.586 652 A HA 0.581 4.904 4.320 0.005 0.000 0.290 652 A C 0.006 177.570 177.584 -0.033 0.000 1.086 652 A CA 0.118 52.161 52.037 0.010 0.000 0.665 652 A CB -0.204 18.824 19.000 0.046 0.000 1.279 652 A HN 0.768 nan 8.150 nan 0.000 0.423 653 T N -1.896 112.630 114.554 -0.047 0.000 2.810 653 T HA 0.570 4.923 4.350 0.005 0.000 0.277 653 T C 0.977 175.669 174.700 -0.014 0.000 0.973 653 T CA 0.056 62.061 62.100 -0.160 0.000 0.949 653 T CB 0.106 68.883 68.868 -0.152 0.000 1.075 653 T HN 0.461 nan 8.240 nan 0.000 0.537 654 F N 0.160 120.122 119.950 0.020 0.000 2.171 654 F HA 0.013 4.544 4.527 0.006 0.000 0.300 654 F C 2.915 178.838 175.800 0.205 0.000 1.090 654 F CA 0.712 58.767 58.000 0.093 0.000 1.293 654 F CB -0.341 38.687 39.000 0.046 0.000 1.013 654 F HN 0.686 nan 8.300 nan 0.000 0.486 655 A N -0.083 122.907 122.820 0.283 0.000 2.030 655 A HA 0.141 4.464 4.320 0.005 0.000 0.215 655 A C 2.339 180.001 177.584 0.129 0.000 1.164 655 A CA 1.083 53.228 52.037 0.181 0.000 0.697 655 A CB -1.136 17.926 19.000 0.103 0.000 0.827 655 A HN 0.356 nan 8.150 nan 0.000 0.457 656 G N -0.601 108.267 108.800 0.114 0.000 2.421 656 G HA2 0.278 4.241 3.960 0.005 0.000 0.217 656 G HA3 0.278 4.241 3.960 0.005 0.000 0.217 656 G C 0.692 175.653 174.900 0.102 0.000 1.143 656 G CA 0.971 46.118 45.100 0.079 0.000 0.784 656 G HN 1.022 nan 8.290 nan 0.000 0.541 657 A N 1.099 124.020 122.820 0.167 0.000 3.159 657 A HA 0.660 4.983 4.320 0.005 0.000 0.330 657 A C -2.507 175.247 177.584 0.283 0.000 1.032 657 A CA -1.181 50.968 52.037 0.186 0.000 0.841 657 A CB 0.971 20.076 19.000 0.175 0.000 1.093 657 A HN 0.129 nan 8.150 nan 0.000 0.478 658 P HA -0.063 nan 4.420 nan 0.000 0.269 658 P C 1.357 178.505 177.300 -0.253 0.000 1.205 658 P CA 0.856 63.931 63.100 -0.041 0.000 0.780 658 P CB 0.684 32.345 31.700 -0.066 0.000 0.858 659 S N 1.968 117.123 115.700 -0.908 0.000 2.387 659 S HA -0.214 4.259 4.470 0.005 0.000 0.230 659 S C 1.962 176.419 174.600 -0.239 0.000 1.035 659 S CA 1.363 59.145 58.200 -0.698 0.000 1.014 659 S CB -1.475 61.266 63.200 -0.765 0.000 0.836 659 S HN 0.415 nan 8.310 nan 0.000 0.466 660 L N 1.858 122.958 121.223 -0.205 0.000 2.151 660 L HA -0.156 4.187 4.340 0.005 0.000 0.215 660 L C 2.945 179.693 176.870 -0.203 0.000 1.084 660 L CA 1.816 56.543 54.840 -0.188 0.000 0.764 660 L CB -1.603 40.326 42.059 -0.217 0.000 0.891 660 L HN 0.691 nan 8.230 nan 0.000 0.435 661 T N -3.424 111.086 114.554 -0.074 0.000 3.129 661 T HA 0.232 4.585 4.350 0.005 0.000 0.251 661 T C 0.382 175.195 174.700 0.189 0.000 1.117 661 T CA 0.179 62.344 62.100 0.107 0.000 1.034 661 T CB -0.331 68.646 68.868 0.181 0.000 0.968 661 T HN 0.176 nan 8.240 nan 0.000 0.526 662 V N -2.655 117.326 119.914 0.111 0.000 3.113 662 V HA 0.577 4.700 4.120 0.005 0.000 0.316 662 V C -0.123 176.018 176.094 0.080 0.000 1.125 662 V CA -0.979 61.399 62.300 0.130 0.000 1.026 662 V CB 2.155 34.069 31.823 0.152 0.000 1.080 662 V HN 0.001 nan 8.190 nan 0.000 0.444 663 D N 0.851 121.297 120.400 0.076 0.000 2.355 663 D HA 0.486 5.129 4.640 0.005 0.000 0.206 663 D C 0.537 176.825 176.300 -0.021 0.000 1.010 663 D CA 1.435 55.455 54.000 0.034 0.000 0.875 663 D CB 1.551 42.394 40.800 0.071 0.000 0.966 663 D HN 0.960 nan 8.370 nan 0.000 0.512 664 A N 0.272 123.098 122.820 0.009 0.000 2.608 664 A HA 0.526 4.849 4.320 0.005 0.000 0.292 664 A C -1.517 176.086 177.584 0.032 0.000 1.066 664 A CA -0.548 51.480 52.037 -0.015 0.000 0.676 664 A CB 1.604 20.578 19.000 -0.042 0.000 1.277 664 A HN -0.106 nan 8.150 nan 0.000 0.413 665 V N 1.648 121.573 119.914 0.019 0.000 2.487 665 V HA 0.542 4.665 4.120 0.005 0.000 0.298 665 V C -0.571 175.524 176.094 0.002 0.000 1.028 665 V CA -0.209 62.115 62.300 0.040 0.000 0.860 665 V CB 1.350 33.219 31.823 0.078 0.000 0.991 665 V HN 0.681 nan 8.190 nan 0.000 0.427 666 I N 4.560 125.138 120.570 0.014 0.000 2.433 666 I HA 0.539 4.712 4.170 0.005 0.000 0.292 666 I C -0.830 175.311 176.117 0.040 0.000 1.001 666 I CA -0.912 60.419 61.300 0.052 0.000 1.119 666 I CB 2.247 40.308 38.000 0.102 0.000 1.289 666 I HN 0.268 nan 8.210 nan 0.000 0.438 667 V N 7.846 127.802 119.914 0.069 0.000 2.349 667 V HA 0.324 4.447 4.120 0.005 0.000 0.284 667 V C -2.137 174.014 176.094 0.095 0.000 1.014 667 V CA -1.599 60.729 62.300 0.046 0.000 0.826 667 V CB 1.518 33.335 31.823 -0.010 0.000 1.009 667 V HN 0.564 nan 8.190 nan 0.000 0.431 668 P HA 0.211 nan 4.420 nan 0.000 0.274 668 P C 0.283 177.601 177.300 0.029 0.000 1.237 668 P CA -0.204 62.912 63.100 0.027 0.000 0.793 668 P CB 1.067 32.775 31.700 0.012 0.000 0.977 669 C N 0.883 120.177 119.300 -0.010 0.000 2.820 669 C HA 0.681 5.145 4.460 0.005 0.000 0.287 669 C C 1.447 176.443 174.990 0.009 0.000 1.664 669 C CA 1.573 60.592 59.018 0.002 0.000 2.071 669 C CB -0.810 26.914 27.740 -0.027 0.000 2.008 669 C HN 0.933 nan 8.230 nan 0.000 0.619 670 G N 1.304 110.107 108.800 0.006 0.000 2.253 670 G HA2 -0.032 3.931 3.960 0.005 0.000 0.190 670 G HA3 -0.032 3.931 3.960 0.005 0.000 0.190 670 G C -0.871 174.038 174.900 0.015 0.000 1.274 670 G CA 0.182 45.285 45.100 0.006 0.000 1.275 670 G HN 1.056 nan 8.290 nan 0.000 0.518 671 N N 1.832 120.548 118.700 0.027 0.000 2.767 671 N HA 0.356 5.099 4.740 0.005 0.000 0.238 671 N C 1.578 177.124 175.510 0.060 0.000 1.083 671 N CA -0.590 52.480 53.050 0.033 0.000 0.964 671 N CB -0.004 38.502 38.487 0.032 0.000 1.252 671 N HN 0.396 nan 8.380 nan 0.000 0.512 672 I N 1.525 122.122 120.570 0.045 0.000 2.361 672 I HA -0.183 3.990 4.170 0.005 0.000 0.251 672 I C 2.038 178.171 176.117 0.026 0.000 1.133 672 I CA 0.725 62.057 61.300 0.054 0.000 1.413 672 I CB -1.381 36.617 38.000 -0.003 0.000 1.073 672 I HN 0.533 nan 8.210 nan 0.000 0.424 673 A N 0.759 123.582 122.820 0.005 0.000 1.986 673 A HA -0.303 4.020 4.320 0.005 0.000 0.220 673 A C 2.089 179.699 177.584 0.044 0.000 1.171 673 A CA 2.212 54.249 52.037 0.001 0.000 0.640 673 A CB -0.769 18.230 19.000 -0.001 0.000 0.811 673 A HN 0.414 nan 8.150 nan 0.000 0.451 674 D N 0.217 120.667 120.400 0.083 0.000 2.133 674 D HA -0.178 4.465 4.640 0.005 0.000 0.195 674 D C 1.563 177.958 176.300 0.158 0.000 0.997 674 D CA 1.912 55.988 54.000 0.128 0.000 0.840 674 D CB -0.191 40.717 40.800 0.180 0.000 0.947 674 D HN 0.679 nan 8.370 nan 0.000 0.452 675 I N -4.122 116.567 120.570 0.199 0.000 4.227 675 I HA 0.460 4.633 4.170 0.005 0.000 0.334 675 I C 1.696 177.974 176.117 0.268 0.000 1.341 675 I CA -0.068 61.391 61.300 0.264 0.000 1.123 675 I CB 0.145 38.369 38.000 0.374 0.000 1.097 675 I HN -0.098 nan 8.210 nan 0.000 0.399 676 A N 1.035 123.913 122.820 0.097 0.000 2.225 676 A HA -0.087 4.236 4.320 0.005 0.000 0.215 676 A C 1.488 179.053 177.584 -0.031 0.000 1.164 676 A CA 1.503 53.461 52.037 -0.131 0.000 0.710 676 A CB -0.448 18.386 19.000 -0.277 0.000 0.780 676 A HN 0.526 nan 8.150 nan 0.000 0.473 677 D N -1.194 119.233 120.400 0.045 0.000 2.500 677 D HA 0.014 4.657 4.640 0.005 0.000 0.217 677 D C -0.098 176.248 176.300 0.076 0.000 1.159 677 D CA -0.196 53.830 54.000 0.043 0.000 0.828 677 D CB -0.059 40.755 40.800 0.022 0.000 1.039 677 D HN 0.303 nan 8.370 nan 0.000 0.512 678 N N 1.352 120.123 118.700 0.118 0.000 2.416 678 N HA 0.006 4.749 4.740 0.005 0.000 0.265 678 N C 1.301 176.876 175.510 0.108 0.000 1.195 678 N CA 0.146 53.269 53.050 0.122 0.000 0.943 678 N CB 1.413 40.008 38.487 0.179 0.000 1.115 678 N HN 0.001 nan 8.380 nan 0.000 0.481 679 G N 3.210 112.063 108.800 0.089 0.000 2.432 679 G HA2 -0.230 3.733 3.960 0.005 0.000 0.219 679 G HA3 -0.230 3.733 3.960 0.005 0.000 0.219 679 G C 1.034 175.995 174.900 0.102 0.000 1.135 679 G CA 0.375 45.526 45.100 0.085 0.000 0.767 679 G HN 0.564 nan 8.290 nan 0.000 0.550 680 D N 0.850 121.316 120.400 0.109 0.000 2.117 680 D HA 0.017 4.660 4.640 0.005 0.000 0.198 680 D C 2.809 179.103 176.300 -0.011 0.000 0.982 680 D CA 1.116 55.202 54.000 0.143 0.000 0.828 680 D CB -0.318 40.632 40.800 0.250 0.000 0.967 680 D HN 0.285 nan 8.370 nan 0.000 0.464 681 A N 0.961 123.647 122.820 -0.223 0.000 1.898 681 A HA -0.165 4.158 4.320 0.005 0.000 0.216 681 A C 2.000 179.383 177.584 -0.336 0.000 1.181 681 A CA 1.154 52.820 52.037 -0.618 0.000 0.620 681 A CB -0.422 18.232 19.000 -0.576 0.000 0.819 681 A HN 0.166 nan 8.150 nan 0.000 0.442 682 N N -1.494 117.173 118.700 -0.055 0.000 2.106 682 N HA -0.178 4.565 4.740 0.005 0.000 0.188 682 N C 1.731 177.235 175.510 -0.009 0.000 1.029 682 N CA 1.742 54.808 53.050 0.027 0.000 0.848 682 N CB -0.447 38.124 38.487 0.140 0.000 1.007 682 N HN 0.664 nan 8.380 nan 0.000 0.423 683 Y N 0.743 121.013 120.300 -0.050 0.000 2.224 683 Y HA -0.279 4.274 4.550 0.005 0.000 0.289 683 Y C 2.395 178.247 175.900 -0.081 0.000 1.146 683 Y CA 1.327 59.393 58.100 -0.057 0.000 1.182 683 Y CB -0.371 38.064 38.460 -0.042 0.000 0.983 683 Y HN 0.035 nan 8.280 nan 0.000 0.524 684 Y N 0.294 120.479 120.300 -0.191 0.000 2.151 684 Y HA -0.331 4.222 4.550 0.005 0.000 0.284 684 Y C 2.062 177.768 175.900 -0.322 0.000 1.166 684 Y CA 2.153 60.100 58.100 -0.255 0.000 1.163 684 Y CB -0.414 37.862 38.460 -0.306 0.000 0.974 684 Y HN 0.122 nan 8.280 nan 0.000 0.511 685 L N -1.340 119.793 121.223 -0.151 0.000 2.179 685 L HA -0.192 4.151 4.340 0.005 0.000 0.208 685 L C 2.323 179.065 176.870 -0.213 0.000 1.096 685 L CA 0.939 55.674 54.840 -0.176 0.000 0.779 685 L CB -0.443 41.476 42.059 -0.233 0.000 0.922 685 L HN 0.278 nan 8.230 nan 0.000 0.443 686 M N -0.456 118.961 119.600 -0.306 0.000 2.175 686 M HA -0.203 4.280 4.480 0.005 0.000 0.264 686 M C 2.205 178.235 176.300 -0.449 0.000 1.063 686 M CA 1.641 56.746 55.300 -0.324 0.000 1.119 686 M CB -0.237 32.171 32.600 -0.321 0.000 1.377 686 M HN 0.205 nan 8.290 nan 0.000 0.415 687 E N 0.510 120.265 120.200 -0.742 0.000 2.015 687 E HA -0.188 4.165 4.350 0.005 0.000 0.191 687 E C 2.021 178.280 176.600 -0.568 0.000 0.991 687 E CA 1.316 57.253 56.400 -0.772 0.000 0.802 687 E CB -0.037 29.198 29.700 -0.776 0.000 0.759 687 E HN 0.443 nan 8.360 nan 0.000 0.447 688 A N 0.486 123.078 122.820 -0.381 0.000 1.892 688 A HA -0.257 4.066 4.320 0.005 0.000 0.218 688 A C 2.113 179.589 177.584 -0.180 0.000 1.188 688 A CA 1.872 53.774 52.037 -0.225 0.000 0.631 688 A CB -1.150 17.776 19.000 -0.123 0.000 0.822 688 A HN 0.594 nan 8.150 nan 0.000 0.447 689 Y N 0.612 120.747 120.300 -0.275 0.000 2.097 689 Y HA -0.252 4.301 4.550 0.005 0.000 0.282 689 Y C 2.444 178.208 175.900 -0.227 0.000 1.152 689 Y CA 2.471 60.438 58.100 -0.221 0.000 1.136 689 Y CB -0.344 38.001 38.460 -0.191 0.000 0.975 689 Y HN 0.358 nan 8.280 nan 0.000 0.498 690 K N -0.555 119.691 120.400 -0.257 0.000 2.113 690 K HA -0.242 4.082 4.320 0.005 0.000 0.208 690 K C 0.975 177.417 176.600 -0.264 0.000 1.047 690 K CA 2.113 58.211 56.287 -0.315 0.000 0.928 690 K CB -0.511 31.757 32.500 -0.387 0.000 0.716 690 K HN 0.606 nan 8.250 nan 0.000 0.446 691 H N 0.628 119.566 119.070 -0.220 0.000 2.592 691 H HA 0.189 4.747 4.556 0.005 0.000 0.291 691 H C -0.021 175.138 175.328 -0.280 0.000 1.052 691 H CA 0.096 56.013 56.048 -0.219 0.000 1.175 691 H CB 0.043 29.677 29.762 -0.213 0.000 1.378 691 H HN 0.137 nan 8.280 nan 0.000 0.576 692 L N -0.141 120.930 121.223 -0.254 0.000 4.291 692 L HA -0.285 4.058 4.340 0.005 0.000 0.413 692 L C -0.376 176.232 176.870 -0.436 0.000 1.162 692 L CA 0.696 55.300 54.840 -0.392 0.000 0.961 692 L CB -1.690 40.125 42.059 -0.406 0.000 2.095 692 L HN 0.365 nan 8.230 nan 0.000 0.838 693 K N 0.961 121.174 120.400 -0.312 0.000 2.172 693 K HA 0.465 4.788 4.320 0.005 0.000 0.276 693 K C -2.160 174.318 176.600 -0.204 0.000 1.013 693 K CA -1.853 54.274 56.287 -0.266 0.000 0.913 693 K CB 0.816 33.208 32.500 -0.179 0.000 1.055 693 K HN -0.214 nan 8.250 nan 0.000 0.461 694 P HA 0.015 nan 4.420 nan 0.000 0.264 694 P C -0.754 176.482 177.300 -0.106 0.000 1.193 694 P CA 0.500 63.505 63.100 -0.157 0.000 0.763 694 P CB 0.378 31.984 31.700 -0.158 0.000 0.810 695 I N 2.155 122.673 120.570 -0.087 0.000 2.545 695 I HA 0.607 4.780 4.170 0.005 0.000 0.292 695 I C -0.291 175.772 176.117 -0.090 0.000 1.040 695 I CA -0.833 60.431 61.300 -0.061 0.000 1.068 695 I CB 2.197 40.185 38.000 -0.021 0.000 1.251 695 I HN 0.256 nan 8.210 nan 0.000 0.424 696 A N 7.607 130.378 122.820 -0.082 0.000 2.330 696 A HA 0.861 5.184 4.320 0.005 0.000 0.313 696 A C -1.091 176.570 177.584 0.127 0.000 1.124 696 A CA -0.439 51.523 52.037 -0.123 0.000 0.774 696 A CB 0.897 19.666 19.000 -0.385 0.000 1.198 696 A HN 0.662 nan 8.150 nan 0.000 0.465 697 L N 2.422 123.777 121.223 0.220 0.000 2.319 697 L HA 0.681 5.024 4.340 0.005 0.000 0.281 697 L C 0.350 177.413 176.870 0.322 0.000 1.005 697 L CA -0.524 54.464 54.840 0.246 0.000 0.828 697 L CB 1.841 43.993 42.059 0.156 0.000 1.227 697 L HN 0.761 nan 8.230 nan 0.000 0.415 698 A N 2.491 125.426 122.820 0.191 0.000 2.292 698 A HA 0.784 5.108 4.320 0.005 0.000 0.319 698 A C 0.839 178.416 177.584 -0.011 0.000 1.206 698 A CA 0.367 52.387 52.037 -0.027 0.000 0.835 698 A CB 0.915 19.747 19.000 -0.281 0.000 1.164 698 A HN 0.985 nan 8.150 nan 0.000 0.505 699 G N 2.390 111.174 108.800 -0.027 0.000 2.665 699 G HA2 -0.376 3.587 3.960 0.005 0.000 0.326 699 G HA3 -0.376 3.587 3.960 0.005 0.000 0.326 699 G C 0.594 175.498 174.900 0.007 0.000 1.231 699 G CA 0.977 46.067 45.100 -0.018 0.000 0.992 699 G HN 0.688 nan 8.290 nan 0.000 0.549 700 D N 1.632 122.032 120.400 0.001 0.000 2.378 700 D HA 0.273 4.916 4.640 0.005 0.000 0.222 700 D C 2.521 178.831 176.300 0.016 0.000 0.980 700 D CA 1.482 55.480 54.000 -0.004 0.000 0.907 700 D CB -0.590 40.202 40.800 -0.014 0.000 0.899 700 D HN 0.746 nan 8.370 nan 0.000 0.527 701 A N 0.496 123.361 122.820 0.076 0.000 2.070 701 A HA -0.156 4.167 4.320 0.005 0.000 0.220 701 A C 2.029 179.722 177.584 0.182 0.000 1.159 701 A CA 0.737 52.887 52.037 0.187 0.000 0.656 701 A CB -0.332 18.779 19.000 0.185 0.000 0.800 701 A HN 0.131 nan 8.150 nan 0.000 0.453 702 R N -0.596 119.959 120.500 0.092 0.000 2.303 702 R HA -0.108 4.235 4.340 0.005 0.000 0.225 702 R C 1.597 177.904 176.300 0.012 0.000 1.114 702 R CA 1.238 57.375 56.100 0.062 0.000 1.007 702 R CB -0.152 30.173 30.300 0.042 0.000 0.861 702 R HN 0.351 nan 8.270 nan 0.000 0.471 703 K N -0.182 120.185 120.400 -0.056 0.000 2.211 703 K HA -0.075 4.248 4.320 0.005 0.000 0.203 703 K C 1.184 177.665 176.600 -0.199 0.000 1.050 703 K CA 1.161 57.350 56.287 -0.164 0.000 0.945 703 K CB -0.087 32.252 32.500 -0.269 0.000 0.732 703 K HN 0.121 nan 8.250 nan 0.000 0.451 704 F N 1.034 120.958 119.950 -0.043 0.000 2.451 704 F HA -0.106 4.424 4.527 0.005 0.000 0.299 704 F C 1.660 177.406 175.800 -0.089 0.000 1.101 704 F CA 0.767 58.729 58.000 -0.064 0.000 1.436 704 F CB -0.035 38.925 39.000 -0.066 0.000 1.074 704 F HN -0.053 nan 8.300 nan 0.000 0.553 705 K N 0.297 120.733 120.400 0.061 0.000 2.160 705 K HA -0.210 4.113 4.320 0.005 0.000 0.206 705 K C 2.307 178.874 176.600 -0.056 0.000 1.047 705 K CA 1.183 57.456 56.287 -0.023 0.000 0.930 705 K CB -0.373 32.112 32.500 -0.024 0.000 0.720 705 K HN 0.272 nan 8.250 nan 0.000 0.450 706 A N 0.835 123.630 122.820 -0.042 0.000 1.930 706 A HA -0.134 4.189 4.320 0.005 0.000 0.217 706 A C 2.110 179.666 177.584 -0.047 0.000 1.175 706 A CA 1.879 53.886 52.037 -0.049 0.000 0.627 706 A CB -0.820 18.150 19.000 -0.050 0.000 0.815 706 A HN 0.287 nan 8.150 nan 0.000 0.443 707 T N 0.661 115.205 114.554 -0.017 0.000 2.881 707 T HA -0.079 4.274 4.350 0.005 0.000 0.270 707 T C 1.315 175.958 174.700 -0.095 0.000 1.068 707 T CA 1.494 63.587 62.100 -0.012 0.000 1.131 707 T CB -0.509 68.403 68.868 0.073 0.000 0.871 707 T HN 0.753 nan 8.240 nan 0.000 0.479 708 I N -2.864 117.595 120.570 -0.186 0.000 3.762 708 I HA 0.462 4.635 4.170 0.005 0.000 0.333 708 I C -0.460 175.423 176.117 -0.390 0.000 1.566 708 I CA -0.815 60.244 61.300 -0.402 0.000 1.129 708 I CB 0.079 37.643 38.000 -0.726 0.000 1.218 708 I HN -0.248 nan 8.210 nan 0.000 0.456 709 K N 2.601 122.886 120.400 -0.191 0.000 3.834 709 K HA -0.113 4.210 4.320 0.005 0.000 0.276 709 K C -0.404 176.127 176.600 -0.113 0.000 0.850 709 K CA 0.767 56.984 56.287 -0.117 0.000 0.704 709 K CB -1.286 31.174 32.500 -0.066 0.000 1.644 709 K HN 0.640 nan 8.250 nan 0.000 0.440 710 I N 0.896 121.392 120.570 -0.123 0.000 2.353 710 I HA 0.214 4.387 4.170 0.005 0.000 0.293 710 I C 1.106 177.199 176.117 -0.040 0.000 0.992 710 I CA -0.673 60.579 61.300 -0.081 0.000 1.268 710 I CB 1.503 39.441 38.000 -0.103 0.000 1.387 710 I HN 0.311 nan 8.210 nan 0.000 0.478 711 A N 4.898 127.707 122.820 -0.018 0.000 2.448 711 A HA 0.048 4.371 4.320 0.005 0.000 0.239 711 A C 1.046 178.625 177.584 -0.009 0.000 1.080 711 A CA -0.208 51.823 52.037 -0.010 0.000 0.779 711 A CB 0.142 19.141 19.000 -0.001 0.000 1.026 711 A HN 0.825 nan 8.150 nan 0.000 0.499 712 D N 0.535 120.930 120.400 -0.007 0.000 2.158 712 D HA -0.221 4.422 4.640 0.005 0.000 0.197 712 D C 1.899 178.199 176.300 0.000 0.000 0.995 712 D CA 2.142 56.139 54.000 -0.005 0.000 0.846 712 D CB -0.140 40.657 40.800 -0.005 0.000 0.941 712 D HN 0.859 nan 8.370 nan 0.000 0.456 713 Q N 0.427 120.227 119.800 0.002 0.000 2.435 713 Q HA 0.242 4.585 4.340 0.005 0.000 0.207 713 Q C 1.026 177.029 176.000 0.006 0.000 0.956 713 Q CA 0.720 56.526 55.803 0.004 0.000 0.917 713 Q CB 0.236 28.976 28.738 0.005 0.000 0.997 713 Q HN 0.132 nan 8.270 nan 0.000 0.497 714 G N 0.346 109.149 108.800 0.004 0.000 2.631 714 G HA2 -0.177 3.786 3.960 0.005 0.000 0.504 714 G HA3 -0.177 3.786 3.960 0.005 0.000 0.504 714 G C -1.503 173.401 174.900 0.007 0.000 1.306 714 G CA -0.297 44.806 45.100 0.005 0.000 0.897 714 G HN 0.304 nan 8.290 nan 0.000 0.520 715 E N -0.597 119.607 120.200 0.008 0.000 2.354 715 E HA 0.365 4.718 4.350 0.005 0.000 0.283 715 E C -0.685 175.915 176.600 0.000 0.000 0.938 715 E CA -0.787 55.621 56.400 0.014 0.000 0.777 715 E CB 1.186 30.910 29.700 0.040 0.000 1.222 715 E HN 0.440 nan 8.360 nan 0.000 0.423 716 E N 1.159 121.353 120.200 -0.009 0.000 2.465 716 E HA 0.177 4.530 4.350 0.005 0.000 0.260 716 E C 0.720 177.291 176.600 -0.048 0.000 0.980 716 E CA 1.553 57.934 56.400 -0.031 0.000 0.927 716 E CB 1.168 30.848 29.700 -0.032 0.000 0.934 716 E HN 0.877 nan 8.360 nan 0.000 0.459 717 G N 3.072 111.829 108.800 -0.072 0.000 2.278 717 G HA2 -0.196 3.767 3.960 0.005 0.000 0.210 717 G HA3 -0.196 3.767 3.960 0.005 0.000 0.210 717 G C 0.139 174.995 174.900 -0.073 0.000 1.000 717 G CA -0.360 44.681 45.100 -0.098 0.000 0.635 717 G HN 0.410 nan 8.290 nan 0.000 0.495 718 I N 2.439 122.984 120.570 -0.042 0.000 2.355 718 I HA 0.505 4.678 4.170 0.005 0.000 0.288 718 I C 0.430 176.504 176.117 -0.072 0.000 0.999 718 I CA -1.054 60.222 61.300 -0.039 0.000 1.163 718 I CB 1.280 39.281 38.000 0.002 0.000 1.316 718 I HN -0.065 nan 8.210 nan 0.000 0.454 719 V N 7.112 126.944 119.914 -0.137 0.000 2.465 719 V HA 0.440 4.563 4.120 0.005 0.000 0.279 719 V C 0.229 176.278 176.094 -0.074 0.000 1.045 719 V CA -0.544 61.636 62.300 -0.200 0.000 0.938 719 V CB 1.253 32.781 31.823 -0.492 0.000 0.986 719 V HN 0.862 nan 8.190 nan 0.000 0.467 720 E N 3.736 123.967 120.200 0.051 0.000 2.383 720 E HA 0.909 5.262 4.350 0.005 0.000 0.275 720 E C -0.951 175.792 176.600 0.238 0.000 0.918 720 E CA -1.097 55.410 56.400 0.179 0.000 0.764 720 E CB 2.731 32.489 29.700 0.095 0.000 1.252 720 E HN 0.924 nan 8.360 nan 0.000 0.449 721 A N 1.566 124.527 122.820 0.235 0.000 0.000 721 A HA 0.246 4.569 4.320 0.005 0.000 0.000 721 A C -0.512 177.093 177.584 0.034 0.000 0.000 721 A CA -0.580 51.546 52.037 0.148 0.000 0.000 721 A CB 0.956 20.101 19.000 0.242 0.000 0.000 721 A HN 0.618 nan 8.150 nan 0.000 0.000 722 D N 0.516 120.916 120.400 0.000 0.000 2.123 722 D HA -0.012 4.631 4.640 0.005 0.000 0.196 722 D C 1.170 177.413 176.300 -0.094 0.000 0.992 722 D CA 2.496 56.475 54.000 -0.034 0.000 0.833 722 D CB 0.050 40.835 40.800 -0.025 0.000 0.954 722 D HN 0.879 nan 8.370 nan 0.000 0.455 723 S N -1.746 113.862 115.700 -0.153 0.000 2.651 723 S HA 0.667 5.140 4.470 0.005 0.000 0.279 723 S C -0.449 173.846 174.600 -0.509 0.000 1.148 723 S CA -0.668 57.379 58.200 -0.255 0.000 0.837 723 S CB 2.162 65.266 63.200 -0.160 0.000 1.138 723 S HN 0.004 nan 8.310 nan 0.000 0.478 724 A N 1.304 123.755 122.820 -0.615 0.000 3.197 724 A HA 0.430 4.753 4.320 0.005 0.000 0.263 724 A C 0.350 177.747 177.584 -0.312 0.000 1.524 724 A CA -0.329 51.157 52.037 -0.918 0.000 1.176 724 A CB -1.912 16.666 19.000 -0.704 0.000 1.096 724 A HN 0.880 nan 8.150 nan 0.000 0.655 725 D N -0.564 119.734 120.400 -0.170 0.000 2.228 725 D HA 0.278 4.921 4.640 0.005 0.000 0.259 725 D C 1.475 177.813 176.300 0.063 0.000 1.249 725 D CA 0.280 54.262 54.000 -0.030 0.000 0.997 725 D CB 0.017 40.807 40.800 -0.015 0.000 1.151 725 D HN 0.006 nan 8.370 nan 0.000 0.536 726 G N -1.513 107.322 108.800 0.057 0.000 2.421 726 G HA2 -0.226 3.737 3.960 0.005 0.000 0.217 726 G HA3 -0.226 3.737 3.960 0.005 0.000 0.217 726 G C 1.578 176.533 174.900 0.091 0.000 1.143 726 G CA 0.826 45.968 45.100 0.070 0.000 0.784 726 G HN 0.461 nan 8.290 nan 0.000 0.541 727 S N 0.024 115.782 115.700 0.097 0.000 2.356 727 S HA -0.142 4.331 4.470 0.005 0.000 0.223 727 S C 2.098 176.779 174.600 0.135 0.000 1.032 727 S CA 1.511 59.768 58.200 0.094 0.000 1.005 727 S CB -0.452 62.797 63.200 0.082 0.000 0.867 727 S HN 0.373 nan 8.310 nan 0.000 0.449 728 F N 2.062 122.011 119.950 -0.003 0.000 2.095 728 F HA -0.043 4.488 4.527 0.006 0.000 0.298 728 F C 2.124 177.921 175.800 -0.005 0.000 1.104 728 F CA 1.770 59.768 58.000 -0.004 0.000 1.232 728 F CB -0.403 38.596 39.000 -0.002 0.000 0.987 728 F HN 0.193 nan 8.300 nan 0.000 0.475 729 M N 0.235 120.011 119.600 0.294 0.000 2.229 729 M HA -0.160 4.324 4.480 0.005 0.000 0.264 729 M C 1.629 177.939 176.300 0.017 0.000 1.063 729 M CA 1.273 56.650 55.300 0.128 0.000 1.114 729 M CB -1.305 31.399 32.600 0.174 0.000 1.387 729 M HN 0.145 nan 8.290 nan 0.000 0.420 730 D N 0.275 120.690 120.400 0.025 0.000 2.178 730 D HA -0.107 4.536 4.640 0.005 0.000 0.202 730 D C 1.978 178.258 176.300 -0.034 0.000 0.974 730 D CA 0.949 54.949 54.000 0.001 0.000 0.841 730 D CB -0.019 40.790 40.800 0.014 0.000 0.953 730 D HN 0.453 nan 8.370 nan 0.000 0.478 731 E N 0.191 120.352 120.200 -0.063 0.000 2.047 731 E HA -0.100 4.253 4.350 0.005 0.000 0.191 731 E C 2.094 178.610 176.600 -0.139 0.000 0.987 731 E CA 0.158 56.497 56.400 -0.101 0.000 0.799 731 E CB -0.021 29.595 29.700 -0.139 0.000 0.752 731 E HN 0.130 nan 8.360 nan 0.000 0.449 732 L N 1.054 122.156 121.223 -0.203 0.000 2.012 732 L HA -0.196 4.148 4.340 0.005 0.000 0.210 732 L C 2.154 178.958 176.870 -0.110 0.000 1.073 732 L CA 1.612 56.334 54.840 -0.196 0.000 0.748 732 L CB -0.441 41.475 42.059 -0.238 0.000 0.891 732 L HN 0.256 nan 8.230 nan 0.000 0.431 733 L N -0.879 120.299 121.223 -0.074 0.000 2.201 733 L HA -0.175 4.168 4.340 0.005 0.000 0.212 733 L C 2.415 179.264 176.870 -0.036 0.000 1.105 733 L CA 1.156 55.971 54.840 -0.043 0.000 0.775 733 L CB -0.610 41.434 42.059 -0.024 0.000 0.913 733 L HN 0.248 nan 8.230 nan 0.000 0.440 734 T N 0.093 114.622 114.554 -0.042 0.000 2.777 734 T HA -0.116 4.237 4.350 0.005 0.000 0.266 734 T C 1.969 176.645 174.700 -0.040 0.000 1.040 734 T CA 1.094 63.176 62.100 -0.030 0.000 1.141 734 T CB -0.133 68.717 68.868 -0.030 0.000 0.868 734 T HN 0.170 nan 8.240 nan 0.000 0.444 735 L N 0.315 121.495 121.223 -0.071 0.000 2.017 735 L HA -0.071 4.272 4.340 0.005 0.000 0.208 735 L C 2.715 179.527 176.870 -0.097 0.000 1.073 735 L CA 1.344 56.123 54.840 -0.102 0.000 0.745 735 L CB -0.479 41.498 42.059 -0.136 0.000 0.894 735 L HN 0.297 nan 8.230 nan 0.000 0.432 736 M N -0.807 118.747 119.600 -0.076 0.000 2.149 736 M HA -0.215 4.268 4.480 0.005 0.000 0.261 736 M C 2.385 178.690 176.300 0.008 0.000 1.064 736 M CA 1.880 57.152 55.300 -0.045 0.000 1.102 736 M CB -0.495 32.087 32.600 -0.030 0.000 1.369 736 M HN 0.328 nan 8.290 nan 0.000 0.408 737 A N 0.019 122.846 122.820 0.012 0.000 2.067 737 A HA 0.085 4.409 4.320 0.005 0.000 0.219 737 A C 2.142 179.776 177.584 0.085 0.000 1.158 737 A CA 1.547 53.614 52.037 0.049 0.000 0.661 737 A CB -0.633 18.388 19.000 0.035 0.000 0.801 737 A HN 0.505 nan 8.150 nan 0.000 0.452 738 A N -2.470 120.381 122.820 0.052 0.000 2.251 738 A HA 0.321 4.644 4.320 0.005 0.000 0.209 738 A C 0.985 178.617 177.584 0.080 0.000 1.187 738 A CA 1.330 53.413 52.037 0.076 0.000 0.823 738 A CB -0.478 18.521 19.000 -0.002 0.000 0.846 738 A HN 0.964 nan 8.150 nan 0.000 0.486 739 H N -1.370 117.654 119.070 -0.076 0.000 4.856 739 H HA -0.186 4.373 4.556 0.005 0.000 0.059 739 H C 0.020 175.142 175.328 -0.345 0.000 0.596 739 H CA 2.357 58.338 56.048 -0.111 0.000 0.946 739 H CB -0.608 29.192 29.762 0.063 0.000 0.453 739 H HN 0.468 nan 8.280 nan 0.000 0.801 740 R N -0.293 119.668 120.500 -0.898 0.000 2.774 740 R HA 0.597 4.940 4.340 0.005 0.000 0.272 740 R C -0.704 174.716 176.300 -1.467 0.000 1.000 740 R CA -0.273 55.041 56.100 -1.310 0.000 0.906 740 R CB 1.877 31.125 30.300 -1.753 0.000 1.227 740 R HN 0.084 nan 8.270 nan 0.000 0.468 741 V N 2.130 121.437 119.914 -1.013 0.000 2.162 741 V HA 0.112 4.235 4.120 0.005 0.000 0.255 741 V C 0.734 176.475 176.094 -0.588 0.000 1.304 741 V CA -0.484 61.413 62.300 -0.671 0.000 1.198 741 V CB -0.505 31.070 31.823 -0.413 0.000 1.333 741 V HN 0.732 nan 8.190 nan 0.000 0.493 742 W N 1.466 122.508 121.300 -0.430 0.000 2.421 742 W HA -0.149 4.514 4.660 0.005 0.000 0.270 742 W C 2.361 178.671 176.519 -0.347 0.000 1.233 742 W CA 0.708 57.716 57.345 -0.562 0.000 1.226 742 W CB -0.384 28.406 29.460 -1.116 0.000 1.121 742 W HN 0.635 nan 8.180 nan 0.000 0.579 743 S N 0.387 116.051 115.700 -0.061 0.000 2.561 743 S HA -0.031 4.442 4.470 0.005 0.000 0.225 743 S C 1.642 176.208 174.600 -0.057 0.000 0.977 743 S CA 0.435 58.614 58.200 -0.035 0.000 0.926 743 S CB -0.258 62.924 63.200 -0.030 0.000 0.769 743 S HN 0.404 nan 8.310 nan 0.000 0.533 744 R N 0.769 121.198 120.500 -0.118 0.000 2.246 744 R HA 0.263 4.606 4.340 0.005 0.000 0.199 744 R C 1.710 177.933 176.300 -0.128 0.000 0.984 744 R CA 0.230 56.233 56.100 -0.161 0.000 1.015 744 R CB -0.350 29.761 30.300 -0.316 0.000 0.930 744 R HN 0.423 nan 8.270 nan 0.000 0.475 745 I N 2.045 122.581 120.570 -0.056 0.000 2.113 745 I HA -0.288 3.885 4.170 0.005 0.000 0.242 745 I C -0.831 175.299 176.117 0.020 0.000 1.057 745 I CA 1.774 63.083 61.300 0.014 0.000 1.314 745 I CB -0.901 37.155 38.000 0.094 0.000 1.022 745 I HN 0.187 nan 8.210 nan 0.000 0.408 746 P HA -0.168 nan 4.420 nan 0.000 0.218 746 P C 1.197 178.516 177.300 0.032 0.000 1.148 746 P CA 1.582 64.703 63.100 0.035 0.000 0.822 746 P CB -0.047 31.674 31.700 0.034 0.000 0.784 747 K N -0.305 120.107 120.400 0.019 0.000 2.305 747 K HA 0.058 4.381 4.320 0.005 0.000 0.199 747 K C 2.012 178.651 176.600 0.065 0.000 1.047 747 K CA 0.678 56.997 56.287 0.053 0.000 0.976 747 K CB -0.496 32.058 32.500 0.091 0.000 0.765 747 K HN 0.266 nan 8.250 nan 0.000 0.474 748 I N -1.418 119.150 120.570 -0.002 0.000 2.916 748 I HA -0.123 4.050 4.170 0.005 0.000 0.267 748 I C 1.204 177.348 176.117 0.046 0.000 1.263 748 I CA 1.204 62.508 61.300 0.006 0.000 1.471 748 I CB -0.200 37.749 38.000 -0.085 0.000 1.089 748 I HN -0.055 nan 8.210 nan 0.000 0.468 749 D N 2.429 122.861 120.400 0.053 0.000 2.133 749 D HA -0.171 4.472 4.640 0.005 0.000 0.195 749 D C 1.505 177.840 176.300 0.058 0.000 0.997 749 D CA 1.361 55.396 54.000 0.059 0.000 0.840 749 D CB 0.129 40.964 40.800 0.058 0.000 0.947 749 D HN 0.262 nan 8.370 nan 0.000 0.452 750 K N -0.037 120.400 120.400 0.061 0.000 2.596 750 K HA 0.135 4.458 4.320 0.005 0.000 0.211 750 K C -0.059 176.576 176.600 0.059 0.000 1.046 750 K CA -0.223 56.097 56.287 0.056 0.000 1.202 750 K CB 0.839 33.370 32.500 0.052 0.000 0.925 750 K HN 0.220 nan 8.250 nan 0.000 0.486 751 I N 3.713 124.323 120.570 0.066 0.000 2.382 751 I HA 0.220 4.393 4.170 0.005 0.000 0.285 751 I C -2.562 173.585 176.117 0.049 0.000 1.007 751 I CA -2.730 58.606 61.300 0.061 0.000 1.142 751 I CB 1.846 39.909 38.000 0.105 0.000 1.289 751 I HN -0.113 nan 8.210 nan 0.000 0.453 752 P HA 0.400 nan 4.420 nan 0.000 0.271 752 P C -0.738 176.618 177.300 0.093 0.000 1.380 752 P CA 0.089 63.227 63.100 0.064 0.000 0.992 752 P CB 0.493 32.228 31.700 0.058 0.000 1.230 753 A N 0.000 122.876 122.820 0.093 0.000 2.254 753 A HA 0.000 4.323 4.320 0.005 0.000 0.244 753 A CA 0.000 52.121 52.037 0.140 0.000 0.836 753 A CB 0.000 18.954 19.000 -0.077 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486