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 1p7z_1_A DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRSIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.285 176.300 -0.025 0.000 2.045 27 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 27 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 28 S N 0.798 116.483 115.700 -0.025 0.000 3.821 28 S HA 0.052 4.567 4.470 0.074 0.000 0.161 28 S C 0.100 174.677 174.600 -0.038 0.000 0.337 28 S CA 1.090 59.274 58.200 -0.028 0.000 1.411 28 S CB -2.066 61.121 63.200 -0.022 0.000 1.415 28 S HN 0.620 nan 8.310 nan 0.000 0.281 29 L N -0.655 120.537 121.223 -0.052 0.000 2.256 29 L HA 1.035 5.420 4.340 0.074 0.000 0.261 29 L C 0.417 177.212 176.870 -0.126 0.000 1.022 29 L CA -1.158 53.634 54.840 -0.080 0.000 0.828 29 L CB 0.310 42.327 42.059 -0.070 0.000 1.374 29 L HN 0.436 nan 8.230 nan 0.000 0.436 30 A N 0.561 123.246 122.820 -0.225 0.000 2.555 30 A HA 0.450 4.815 4.320 0.074 0.000 0.233 30 A C -1.987 175.441 177.584 -0.260 0.000 1.060 30 A CA -0.465 51.311 52.037 -0.435 0.000 0.759 30 A CB -1.286 17.190 19.000 -0.873 0.000 0.995 30 A HN 0.703 nan 8.150 nan 0.000 0.506 31 P HA 0.029 nan 4.420 nan 0.000 0.268 31 P C 0.422 177.683 177.300 -0.065 0.000 1.208 31 P CA 0.079 63.133 63.100 -0.076 0.000 0.777 31 P CB 0.613 32.308 31.700 -0.008 0.000 0.875 32 E N 1.743 121.924 120.200 -0.032 0.000 2.085 32 E HA -0.239 4.155 4.350 0.074 0.000 0.194 32 E C 1.155 177.762 176.600 0.013 0.000 0.994 32 E CA 1.921 58.313 56.400 -0.015 0.000 0.801 32 E CB -0.444 29.251 29.700 -0.009 0.000 0.743 32 E HN 0.529 nan 8.360 nan 0.000 0.453 33 D N -1.112 119.303 120.400 0.026 0.000 2.378 33 D HA 0.001 4.686 4.640 0.074 0.000 0.227 33 D C 1.243 177.590 176.300 0.079 0.000 1.012 33 D CA 0.862 54.888 54.000 0.042 0.000 0.905 33 D CB -0.449 40.372 40.800 0.035 0.000 0.895 33 D HN 0.308 nan 8.370 nan 0.000 0.532 34 G N 0.349 109.231 108.800 0.138 0.000 2.179 34 G HA2 -0.354 3.651 3.960 0.074 0.000 0.257 34 G HA3 -0.354 3.651 3.960 0.074 0.000 0.257 34 G C 0.982 176.018 174.900 0.226 0.000 1.010 34 G CA 0.903 46.157 45.100 0.258 0.000 0.736 34 G HN 0.715 nan 8.290 nan 0.000 0.513 35 S N -0.409 115.405 115.700 0.190 0.000 2.607 35 S HA 0.055 4.570 4.470 0.074 0.000 0.224 35 S C 1.697 176.366 174.600 0.116 0.000 0.969 35 S CA 1.094 59.358 58.200 0.106 0.000 0.927 35 S CB -0.557 62.685 63.200 0.070 0.000 0.772 35 S HN 1.056 nan 8.310 nan 0.000 0.533 36 H N 0.451 119.528 119.070 0.012 0.000 2.495 36 H HA 0.286 4.886 4.556 0.074 0.000 0.287 36 H C 1.101 176.441 175.328 0.020 0.000 1.033 36 H CA 0.279 56.335 56.048 0.013 0.000 1.307 36 H CB -0.028 29.741 29.762 0.012 0.000 1.401 36 H HN 0.329 nan 8.280 nan 0.000 0.555 37 R N 1.874 122.064 120.500 -0.517 0.000 2.437 37 R HA 0.323 4.708 4.340 0.074 0.000 0.310 37 R C -2.761 173.442 176.300 -0.162 0.000 0.955 37 R CA -2.515 53.347 56.100 -0.396 0.000 0.851 37 R CB 1.053 30.998 30.300 -0.592 0.000 1.161 37 R HN 0.102 nan 8.270 nan 0.000 0.446 38 P HA 0.071 nan 4.420 nan 0.000 0.268 38 P C -0.960 176.330 177.300 -0.018 0.000 1.204 38 P CA -0.193 62.893 63.100 -0.023 0.000 0.768 38 P CB 1.021 32.732 31.700 0.018 0.000 0.842 39 A N 3.046 125.863 122.820 -0.004 0.000 2.462 39 A HA 0.413 4.778 4.320 0.074 0.000 0.243 39 A C 0.889 178.482 177.584 0.016 0.000 1.076 39 A CA 0.007 52.046 52.037 0.003 0.000 0.773 39 A CB -0.235 18.770 19.000 0.008 0.000 1.010 39 A HN 0.569 nan 8.150 nan 0.000 0.493 40 A N 2.794 125.624 122.820 0.016 0.000 3.118 40 A HA 0.510 4.874 4.320 0.074 0.000 0.256 40 A C 0.208 177.810 177.584 0.030 0.000 1.667 40 A CA -0.042 52.011 52.037 0.026 0.000 1.338 40 A CB -0.483 18.530 19.000 0.022 0.000 1.127 40 A HN 0.738 nan 8.150 nan 0.000 0.634 41 E N 0.138 120.358 120.200 0.033 0.000 2.430 41 E HA 0.369 4.763 4.350 0.074 0.000 0.279 41 E C -3.177 173.445 176.600 0.037 0.000 1.003 41 E CA -1.978 54.444 56.400 0.036 0.000 0.801 41 E CB 1.554 31.270 29.700 0.027 0.000 1.313 41 E HN 0.035 nan 8.360 nan 0.000 0.459 42 P HA 0.123 nan 4.420 nan 0.000 0.271 42 P C -0.593 176.715 177.300 0.013 0.000 1.233 42 P CA 0.109 63.222 63.100 0.022 0.000 0.764 42 P CB 0.152 31.853 31.700 0.002 0.000 0.825 43 T N 1.402 115.960 114.554 0.006 0.000 2.907 43 T HA 0.667 5.061 4.350 0.074 0.000 0.292 43 T C -2.891 171.781 174.700 -0.046 0.000 1.043 43 T CA -2.844 59.255 62.100 -0.002 0.000 1.003 43 T CB 1.474 70.345 68.868 0.006 0.000 1.084 43 T HN 0.042 nan 8.240 nan 0.000 0.483 44 P HA 0.343 nan 4.420 nan 0.000 0.272 44 P C -2.756 174.414 177.300 -0.217 0.000 1.230 44 P CA -1.682 61.274 63.100 -0.240 0.000 0.788 44 P CB -1.005 30.637 31.700 -0.096 0.000 0.949 45 P HA 0.034 nan 4.420 nan 0.000 0.261 45 P C 1.060 178.317 177.300 -0.072 0.000 1.183 45 P CA 1.430 64.434 63.100 -0.161 0.000 0.761 45 P CB -0.329 31.273 31.700 -0.164 0.000 0.785 46 G N 2.898 111.682 108.800 -0.026 0.000 2.179 46 G HA2 -0.315 3.689 3.960 0.074 0.000 0.260 46 G HA3 -0.315 3.689 3.960 0.074 0.000 0.260 46 G C 1.047 175.945 174.900 -0.002 0.000 0.977 46 G CA 0.341 45.438 45.100 -0.005 0.000 0.641 46 G HN 0.683 nan 8.290 nan 0.000 0.533 47 A N -1.299 121.516 122.820 -0.008 0.000 2.021 47 A HA 0.485 4.849 4.320 0.074 0.000 0.216 47 A C 1.260 178.848 177.584 0.007 0.000 1.163 47 A CA 1.855 53.892 52.037 -0.000 0.000 0.676 47 A CB 0.077 19.075 19.000 -0.003 0.000 0.818 47 A HN 0.525 nan 8.150 nan 0.000 0.453 48 Q N -1.103 118.703 119.800 0.011 0.000 2.462 48 Q HA 0.385 4.769 4.340 0.074 0.000 0.285 48 Q C -3.028 172.986 176.000 0.024 0.000 1.035 48 Q CA -2.053 53.759 55.803 0.016 0.000 0.799 48 Q CB 0.771 29.521 28.738 0.020 0.000 1.452 48 Q HN 0.003 nan 8.270 nan 0.000 0.404 49 P HA -0.012 nan 4.420 nan 0.000 0.264 49 P C -0.148 177.181 177.300 0.050 0.000 1.183 49 P CA 0.349 63.462 63.100 0.021 0.000 0.763 49 P CB 0.244 31.952 31.700 0.015 0.000 0.807 50 T N 0.148 114.734 114.554 0.054 0.000 2.813 50 T HA 0.615 5.010 4.350 0.074 0.000 0.297 50 T C 0.017 174.808 174.700 0.151 0.000 1.036 50 T CA -0.443 61.742 62.100 0.142 0.000 1.044 50 T CB 0.808 69.725 68.868 0.082 0.000 0.993 50 T HN 0.544 nan 8.240 nan 0.000 0.535 51 A N 1.443 124.451 122.820 0.312 0.000 2.599 51 A HA 0.765 5.129 4.320 0.074 0.000 0.290 51 A C -3.086 174.760 177.584 0.437 0.000 1.101 51 A CA -1.958 50.237 52.037 0.263 0.000 0.674 51 A CB 0.391 19.491 19.000 0.167 0.000 1.277 51 A HN 0.655 nan 8.150 nan 0.000 0.419 52 P HA 0.107 nan 4.420 nan 0.000 0.261 52 P C 1.231 178.676 177.300 0.241 0.000 1.173 52 P CA 1.081 64.386 63.100 0.340 0.000 0.760 52 P CB 0.493 32.321 31.700 0.212 0.000 0.783 53 G N 2.786 111.692 108.800 0.175 0.000 2.469 53 G HA2 -0.312 3.693 3.960 0.074 0.000 0.219 53 G HA3 -0.312 3.693 3.960 0.074 0.000 0.219 53 G C 1.529 176.445 174.900 0.026 0.000 1.150 53 G CA 1.144 46.262 45.100 0.030 0.000 0.763 53 G HN 0.588 nan 8.290 nan 0.000 0.561 54 S N -0.207 115.514 115.700 0.035 0.000 2.515 54 S HA 0.187 4.702 4.470 0.074 0.000 0.231 54 S C 2.142 176.761 174.600 0.031 0.000 0.987 54 S CA 0.592 58.800 58.200 0.012 0.000 0.936 54 S CB -0.112 63.086 63.200 -0.003 0.000 0.766 54 S HN 0.317 nan 8.310 nan 0.000 0.528 55 L N -0.205 121.053 121.223 0.057 0.000 2.357 55 L HA 0.299 4.684 4.340 0.074 0.000 0.211 55 L C 2.589 179.491 176.870 0.054 0.000 1.075 55 L CA 0.687 55.560 54.840 0.055 0.000 0.830 55 L CB -0.279 41.821 42.059 0.067 0.000 0.996 55 L HN 0.254 nan 8.230 nan 0.000 0.467 56 K N 1.489 121.931 120.400 0.070 0.000 2.116 56 K HA 0.056 4.420 4.320 0.074 0.000 0.203 56 K C 0.664 177.294 176.600 0.049 0.000 1.052 56 K CA 1.176 57.504 56.287 0.069 0.000 0.952 56 K CB 0.189 32.747 32.500 0.097 0.000 0.729 56 K HN 0.131 nan 8.250 nan 0.000 0.446 57 A N 0.825 123.666 122.820 0.036 0.000 3.266 57 A HA 0.358 4.723 4.320 0.074 0.000 0.310 57 A C -2.253 175.337 177.584 0.009 0.000 1.066 57 A CA -1.043 51.012 52.037 0.029 0.000 0.839 57 A CB 0.688 19.709 19.000 0.035 0.000 1.192 57 A HN 0.123 nan 8.150 nan 0.000 0.496 58 P HA -0.120 nan 4.420 nan 0.000 0.220 58 P C 0.210 177.503 177.300 -0.012 0.000 1.148 58 P CA 1.224 64.323 63.100 -0.002 0.000 0.803 58 P CB 0.276 31.980 31.700 0.006 0.000 0.782 59 D N -1.116 119.281 120.400 -0.005 0.000 2.349 59 D HA 0.004 4.689 4.640 0.074 0.000 0.215 59 D C 0.318 176.604 176.300 -0.023 0.000 1.016 59 D CA 0.560 54.553 54.000 -0.011 0.000 0.870 59 D CB -0.509 40.291 40.800 0.002 0.000 0.917 59 D HN 0.123 nan 8.370 nan 0.000 0.524 60 T N 2.128 116.666 114.554 -0.027 0.000 2.727 60 T HA 0.350 4.745 4.350 0.074 0.000 0.295 60 T C 0.515 175.169 174.700 -0.077 0.000 0.915 60 T CA -0.175 61.895 62.100 -0.051 0.000 1.066 60 T CB 1.025 69.861 68.868 -0.054 0.000 0.891 60 T HN -0.047 nan 8.240 nan 0.000 0.516 61 R N 2.777 123.224 120.500 -0.088 0.000 2.867 61 R HA 0.710 5.095 4.340 0.074 0.000 0.268 61 R C -0.599 175.637 176.300 -0.106 0.000 1.014 61 R CA -1.095 54.946 56.100 -0.098 0.000 0.946 61 R CB 1.562 31.812 30.300 -0.082 0.000 1.208 61 R HN 0.735 nan 8.270 nan 0.000 0.477 62 N N -1.488 117.152 118.700 -0.099 0.000 3.046 62 N HA -0.029 4.755 4.740 0.074 0.000 0.243 62 N C -0.137 175.327 175.510 -0.077 0.000 1.452 62 N CA -0.828 52.176 53.050 -0.077 0.000 0.882 62 N CB 0.799 39.267 38.487 -0.032 0.000 1.425 62 N HN 0.650 nan 8.380 nan 0.000 0.517 63 E N -0.143 120.026 120.200 -0.052 0.000 2.118 63 E HA -0.245 4.150 4.350 0.074 0.000 0.195 63 E C 0.989 177.519 176.600 -0.116 0.000 0.992 63 E CA 1.428 57.792 56.400 -0.061 0.000 0.804 63 E CB 0.109 29.798 29.700 -0.019 0.000 0.741 63 E HN 0.489 nan 8.360 nan 0.000 0.458 64 K N 0.731 121.029 120.400 -0.170 0.000 2.025 64 K HA -0.085 4.280 4.320 0.074 0.000 0.207 64 K C 2.087 178.519 176.600 -0.281 0.000 1.049 64 K CA 1.111 57.203 56.287 -0.324 0.000 0.933 64 K CB -0.452 31.705 32.500 -0.571 0.000 0.714 64 K HN 0.162 nan 8.250 nan 0.000 0.438 65 L N 0.914 121.986 121.223 -0.253 0.000 2.012 65 L HA -0.258 4.127 4.340 0.074 0.000 0.210 65 L C 1.914 178.660 176.870 -0.206 0.000 1.073 65 L CA 1.518 56.177 54.840 -0.300 0.000 0.748 65 L CB -0.632 41.247 42.059 -0.301 0.000 0.891 65 L HN 0.284 nan 8.230 nan 0.000 0.431 66 N N -0.360 118.249 118.700 -0.152 0.000 2.188 66 N HA -0.145 4.639 4.740 0.074 0.000 0.184 66 N C 2.010 177.457 175.510 -0.105 0.000 1.018 66 N CA 1.652 54.636 53.050 -0.110 0.000 0.858 66 N CB -0.458 37.978 38.487 -0.085 0.000 0.989 66 N HN 0.375 nan 8.380 nan 0.000 0.426 67 S N 0.388 116.015 115.700 -0.121 0.000 2.474 67 S HA 0.038 4.552 4.470 0.074 0.000 0.235 67 S C 1.831 176.366 174.600 -0.108 0.000 0.997 67 S CA 0.384 58.521 58.200 -0.105 0.000 0.949 67 S CB -0.478 62.654 63.200 -0.113 0.000 0.766 67 S HN 0.235 nan 8.310 nan 0.000 0.517 68 L N 0.768 121.911 121.223 -0.133 0.000 2.552 68 L HA 0.149 4.534 4.340 0.074 0.000 0.227 68 L C 2.613 179.435 176.870 -0.081 0.000 1.146 68 L CA 0.660 55.430 54.840 -0.116 0.000 0.858 68 L CB -0.402 41.569 42.059 -0.147 0.000 0.969 68 L HN 0.278 nan 8.230 nan 0.000 0.451 69 E N 0.944 121.100 120.200 -0.073 0.000 2.204 69 E HA -0.245 4.150 4.350 0.074 0.000 0.195 69 E C 1.691 178.269 176.600 -0.036 0.000 0.990 69 E CA 1.350 57.721 56.400 -0.049 0.000 0.821 69 E CB -0.028 29.645 29.700 -0.045 0.000 0.750 69 E HN 0.560 nan 8.360 nan 0.000 0.477 70 D N -0.481 119.896 120.400 -0.038 0.000 2.218 70 D HA -0.149 4.535 4.640 0.074 0.000 0.204 70 D C 1.624 177.910 176.300 -0.024 0.000 0.976 70 D CA 1.581 55.564 54.000 -0.028 0.000 0.853 70 D CB -0.348 40.435 40.800 -0.028 0.000 0.939 70 D HN 0.305 nan 8.370 nan 0.000 0.481 71 V N -3.420 116.478 119.914 -0.028 0.000 3.578 71 V HA 0.315 4.479 4.120 0.074 0.000 0.290 71 V C 0.879 176.966 176.094 -0.012 0.000 1.376 71 V CA -0.702 61.587 62.300 -0.018 0.000 1.083 71 V CB -0.542 31.271 31.823 -0.017 0.000 0.911 71 V HN -0.153 nan 8.190 nan 0.000 0.433 72 R N 1.914 122.405 120.500 -0.015 0.000 2.590 72 R HA 0.439 4.824 4.340 0.074 0.000 0.274 72 R C -0.246 176.053 176.300 -0.003 0.000 1.061 72 R CA 0.136 56.235 56.100 -0.003 0.000 1.081 72 R CB 0.596 30.895 30.300 -0.002 0.000 0.984 72 R HN 0.366 nan 8.270 nan 0.000 0.448 73 K N 0.816 121.218 120.400 0.004 0.000 2.471 73 K HA 0.320 4.684 4.320 0.074 0.000 0.252 73 K C -0.083 176.525 176.600 0.014 0.000 0.938 73 K CA -0.410 55.866 56.287 -0.018 0.000 0.796 73 K CB 1.826 34.300 32.500 -0.044 0.000 1.161 73 K HN 0.697 nan 8.250 nan 0.000 0.425 74 G N 0.679 109.502 108.800 0.038 0.000 2.624 74 G HA2 0.265 4.270 3.960 0.074 0.000 0.217 74 G HA3 0.265 4.270 3.960 0.074 0.000 0.217 74 G C 0.292 175.273 174.900 0.135 0.000 1.506 74 G CA 0.391 45.563 45.100 0.121 0.000 1.072 74 G HN 0.780 nan 8.290 nan 0.000 0.568 75 S N -2.763 113.094 115.700 0.260 0.000 2.571 75 S HA 0.070 4.584 4.470 0.074 0.000 0.205 75 S C 0.189 174.963 174.600 0.290 0.000 0.865 75 S CA -0.080 58.276 58.200 0.260 0.000 1.315 75 S CB -0.067 63.211 63.200 0.131 0.000 0.952 75 S HN 0.497 nan 8.310 nan 0.000 0.363 76 E N 3.158 123.457 120.200 0.165 0.000 2.465 76 E HA 0.257 4.652 4.350 0.074 0.000 0.260 76 E C -0.213 176.343 176.600 -0.073 0.000 0.980 76 E CA 0.401 56.836 56.400 0.057 0.000 0.927 76 E CB -0.004 29.715 29.700 0.032 0.000 0.934 76 E HN 0.416 nan 8.360 nan 0.000 0.459 77 N N 0.707 119.360 118.700 -0.079 0.000 2.878 77 N HA -0.206 4.579 4.740 0.074 0.000 0.247 77 N C -1.185 174.182 175.510 -0.238 0.000 1.021 77 N CA 1.128 54.071 53.050 -0.178 0.000 0.873 77 N CB -1.298 37.030 38.487 -0.264 0.000 1.128 77 N HN 0.387 nan 8.380 nan 0.000 0.571 78 Y N 0.480 120.786 120.300 0.010 0.000 2.487 78 Y HA 0.671 5.266 4.550 0.075 0.000 0.337 78 Y C 0.820 176.723 175.900 0.006 0.000 1.076 78 Y CA -0.514 57.590 58.100 0.008 0.000 1.115 78 Y CB 1.129 39.594 38.460 0.009 0.000 1.235 78 Y HN 0.106 nan 8.280 nan 0.000 0.468 79 A N 2.110 125.049 122.820 0.199 0.000 2.407 79 A HA 0.405 4.769 4.320 0.074 0.000 0.248 79 A C -0.754 176.879 177.584 0.082 0.000 1.082 79 A CA -0.461 51.638 52.037 0.104 0.000 0.785 79 A CB 0.085 19.134 19.000 0.081 0.000 1.020 79 A HN 0.707 nan 8.150 nan 0.000 0.489 80 L N 2.698 123.950 121.223 0.047 0.000 2.367 80 L HA 0.533 4.918 4.340 0.074 0.000 0.275 80 L C 0.637 177.515 176.870 0.012 0.000 1.129 80 L CA 1.180 56.033 54.840 0.023 0.000 0.839 80 L CB 0.496 42.560 42.059 0.009 0.000 1.133 80 L HN 0.948 nan 8.230 nan 0.000 0.453 81 T N 0.232 114.787 114.554 0.000 0.000 2.838 81 T HA 0.662 5.057 4.350 0.074 0.000 0.292 81 T C 0.172 174.870 174.700 -0.003 0.000 1.113 81 T CA -0.186 61.916 62.100 0.004 0.000 1.008 81 T CB 0.955 69.829 68.868 0.009 0.000 1.259 81 T HN 0.784 nan 8.240 nan 0.000 0.520 82 T N -0.027 114.538 114.554 0.020 0.000 2.732 82 T HA 0.278 4.672 4.350 0.074 0.000 0.287 82 T C 0.977 175.689 174.700 0.020 0.000 0.993 82 T CA -0.529 61.590 62.100 0.032 0.000 0.966 82 T CB -0.043 68.886 68.868 0.102 0.000 1.047 82 T HN 0.549 nan 8.240 nan 0.000 0.527 83 N N 0.356 119.071 118.700 0.025 0.000 2.459 83 N HA -0.046 4.739 4.740 0.074 0.000 0.181 83 N C 1.564 177.089 175.510 0.025 0.000 1.046 83 N CA 0.535 53.592 53.050 0.012 0.000 0.904 83 N CB -0.142 38.359 38.487 0.023 0.000 0.964 83 N HN 0.552 nan 8.380 nan 0.000 0.444 84 Q N -0.507 119.321 119.800 0.047 0.000 2.360 84 Q HA 0.207 4.591 4.340 0.074 0.000 0.202 84 Q C 0.780 176.801 176.000 0.034 0.000 0.915 84 Q CA 0.191 56.018 55.803 0.040 0.000 0.943 84 Q CB 0.471 29.241 28.738 0.052 0.000 1.064 84 Q HN 0.385 nan 8.270 nan 0.000 0.511 85 G N 0.430 109.248 108.800 0.030 0.000 2.157 85 G HA2 -0.240 3.765 3.960 0.074 0.000 0.239 85 G HA3 -0.240 3.765 3.960 0.074 0.000 0.239 85 G C 0.136 175.059 174.900 0.040 0.000 0.982 85 G CA 0.122 45.236 45.100 0.023 0.000 0.650 85 G HN 0.228 nan 8.290 nan 0.000 0.527 86 V N 1.845 121.799 119.914 0.066 0.000 2.461 86 V HA 0.355 4.520 4.120 0.074 0.000 0.275 86 V C 1.307 177.438 176.094 0.061 0.000 1.047 86 V CA -0.510 61.841 62.300 0.084 0.000 0.955 86 V CB 1.010 32.928 31.823 0.159 0.000 0.988 86 V HN 0.407 nan 8.190 nan 0.000 0.471 87 R N 4.430 124.960 120.500 0.049 0.000 2.570 87 R HA 0.344 4.729 4.340 0.074 0.000 0.277 87 R C -0.469 175.843 176.300 0.021 0.000 1.039 87 R CA -0.026 56.094 56.100 0.033 0.000 1.065 87 R CB 0.462 30.781 30.300 0.033 0.000 0.964 87 R HN 0.583 nan 8.270 nan 0.000 0.428 88 I N 2.069 122.640 120.570 0.001 0.000 2.353 88 I HA 0.129 4.344 4.170 0.074 0.000 0.293 88 I C 0.947 177.053 176.117 -0.017 0.000 0.992 88 I CA -0.004 61.281 61.300 -0.025 0.000 1.268 88 I CB 1.855 39.830 38.000 -0.043 0.000 1.387 88 I HN 0.777 nan 8.210 nan 0.000 0.478 89 A N 4.056 126.863 122.820 -0.022 0.000 1.924 89 A HA 0.028 4.392 4.320 0.074 0.000 0.211 89 A C 0.618 178.187 177.584 -0.025 0.000 1.198 89 A CA 0.838 52.866 52.037 -0.016 0.000 0.657 89 A CB 0.079 19.073 19.000 -0.011 0.000 0.852 89 A HN 0.685 nan 8.150 nan 0.000 0.454 90 D N -0.545 119.832 120.400 -0.038 0.000 2.469 90 D HA 0.345 5.029 4.640 0.074 0.000 0.251 90 D C -1.385 174.883 176.300 -0.052 0.000 1.173 90 D CA -0.368 53.608 54.000 -0.039 0.000 0.882 90 D CB 1.289 42.066 40.800 -0.037 0.000 1.129 90 D HN 0.049 nan 8.370 nan 0.000 0.549 91 D N 2.137 122.509 120.400 -0.046 0.000 2.395 91 D HA 0.068 4.753 4.640 0.074 0.000 0.226 91 D C 0.556 176.825 176.300 -0.051 0.000 1.146 91 D CA 0.237 54.205 54.000 -0.053 0.000 0.830 91 D CB 0.499 41.272 40.800 -0.044 0.000 0.958 91 D HN 0.232 nan 8.370 nan 0.000 0.501 92 Q N -0.666 119.106 119.800 -0.048 0.000 2.280 92 Q HA 0.264 4.648 4.340 0.074 0.000 0.228 92 Q C -0.199 175.772 176.000 -0.048 0.000 0.857 92 Q CA 0.187 55.962 55.803 -0.046 0.000 0.939 92 Q CB 0.814 29.530 28.738 -0.037 0.000 1.114 92 Q HN 0.188 nan 8.270 nan 0.000 0.514 93 N N 0.170 118.839 118.700 -0.051 0.000 2.235 93 N HA 0.306 5.090 4.740 0.074 0.000 0.293 93 N C -0.932 174.545 175.510 -0.055 0.000 1.083 93 N CA -0.228 52.793 53.050 -0.048 0.000 0.801 93 N CB 2.128 40.592 38.487 -0.039 0.000 1.559 93 N HN -0.175 nan 8.380 nan 0.000 0.472 94 S N 0.743 116.414 115.700 -0.049 0.000 2.614 94 S HA 0.255 4.770 4.470 0.074 0.000 0.265 94 S C 0.153 174.729 174.600 -0.041 0.000 1.303 94 S CA -0.518 57.653 58.200 -0.049 0.000 1.000 94 S CB 0.612 63.790 63.200 -0.038 0.000 0.935 94 S HN 0.396 nan 8.310 nan 0.000 0.551 95 L N 3.331 124.530 121.223 -0.040 0.000 2.281 95 L HA 0.452 4.837 4.340 0.074 0.000 0.285 95 L C 0.011 176.873 176.870 -0.013 0.000 1.074 95 L CA 0.283 55.107 54.840 -0.026 0.000 0.817 95 L CB -0.046 42.000 42.059 -0.023 0.000 1.168 95 L HN 0.707 nan 8.230 nan 0.000 0.434 96 R N 4.203 124.697 120.500 -0.009 0.000 2.836 96 R HA 0.856 5.241 4.340 0.074 0.000 0.269 96 R C -1.105 175.195 176.300 -0.001 0.000 1.010 96 R CA -0.845 55.252 56.100 -0.005 0.000 0.930 96 R CB 1.183 31.478 30.300 -0.008 0.000 1.218 96 R HN 0.583 nan 8.270 nan 0.000 0.473 97 A N 1.310 124.131 122.820 0.002 0.000 2.807 97 A HA 0.582 4.946 4.320 0.074 0.000 0.307 97 A C 0.572 178.156 177.584 0.001 0.000 1.532 97 A CA 0.284 52.323 52.037 0.003 0.000 1.215 97 A CB -0.926 18.076 19.000 0.005 0.000 1.127 97 A HN 1.216 nan 8.150 nan 0.000 0.543 98 G N 0.984 109.783 108.800 -0.001 0.000 2.692 98 G HA2 0.057 4.062 3.960 0.074 0.000 0.686 98 G HA3 0.057 4.062 3.960 0.074 0.000 0.686 98 G C 0.751 175.648 174.900 -0.005 0.000 1.243 98 G CA 0.189 45.288 45.100 -0.002 0.000 0.782 98 G HN 1.823 nan 8.290 nan 0.000 0.625 99 S N 0.071 115.768 115.700 -0.006 0.000 2.442 99 S HA -0.079 4.436 4.470 0.074 0.000 0.236 99 S C 1.671 176.265 174.600 -0.009 0.000 1.007 99 S CA 1.665 59.860 58.200 -0.008 0.000 0.965 99 S CB -0.011 63.184 63.200 -0.008 0.000 0.773 99 S HN 0.770 nan 8.310 nan 0.000 0.504 100 R N 0.836 121.332 120.500 -0.007 0.000 2.509 100 R HA 0.318 4.702 4.340 0.074 0.000 0.300 100 R C 0.996 177.292 176.300 -0.005 0.000 0.985 100 R CA 0.157 56.252 56.100 -0.007 0.000 1.092 100 R CB 0.678 30.974 30.300 -0.006 0.000 1.237 100 R HN 0.466 nan 8.270 nan 0.000 0.546 101 G N 1.980 110.777 108.800 -0.005 0.000 2.543 101 G HA2 0.324 4.329 3.960 0.074 0.000 0.290 101 G HA3 0.324 4.329 3.960 0.074 0.000 0.290 101 G C -2.320 172.578 174.900 -0.003 0.000 1.310 101 G CA -0.955 44.143 45.100 -0.003 0.000 1.025 101 G HN -0.090 nan 8.290 nan 0.000 0.502 102 P HA 0.220 nan 4.420 nan 0.000 0.274 102 P C -0.217 177.083 177.300 -0.000 0.000 1.231 102 P CA -0.134 62.965 63.100 -0.000 0.000 0.790 102 P CB 0.786 32.487 31.700 0.003 0.000 0.951 103 T N 2.686 117.240 114.554 -0.001 0.000 2.870 103 T HA 0.246 4.640 4.350 0.074 0.000 0.300 103 T C 0.509 175.213 174.700 0.006 0.000 0.989 103 T CA -0.136 61.963 62.100 -0.001 0.000 1.139 103 T CB -0.097 68.768 68.868 -0.005 0.000 0.920 103 T HN 0.174 nan 8.240 nan 0.000 0.537 104 L N 3.644 124.873 121.223 0.009 0.000 2.375 104 L HA 0.308 4.693 4.340 0.074 0.000 0.271 104 L C 1.447 178.334 176.870 0.028 0.000 1.107 104 L CA -0.754 54.097 54.840 0.019 0.000 0.806 104 L CB 0.663 42.736 42.059 0.022 0.000 1.146 104 L HN 0.514 nan 8.230 nan 0.000 0.447 105 L N 1.993 123.236 121.223 0.034 0.000 2.275 105 L HA -0.150 4.234 4.340 0.074 0.000 0.215 105 L C 2.263 179.173 176.870 0.066 0.000 1.119 105 L CA 1.469 56.335 54.840 0.044 0.000 0.790 105 L CB -0.554 41.528 42.059 0.038 0.000 0.919 105 L HN 0.793 nan 8.230 nan 0.000 0.443 106 E N -1.526 118.717 120.200 0.072 0.000 2.511 106 E HA -0.166 4.229 4.350 0.074 0.000 0.196 106 E C 0.202 176.904 176.600 0.171 0.000 1.066 106 E CA 0.154 56.623 56.400 0.114 0.000 0.871 106 E CB -0.414 29.343 29.700 0.096 0.000 0.863 106 E HN 0.344 nan 8.360 nan 0.000 0.520 107 D N 1.286 121.743 120.400 0.095 0.000 2.455 107 D HA -0.054 4.630 4.640 0.074 0.000 0.234 107 D C 0.462 176.784 176.300 0.035 0.000 1.224 107 D CA -0.443 53.570 54.000 0.023 0.000 0.999 107 D CB -0.194 40.590 40.800 -0.027 0.000 1.072 107 D HN 0.307 nan 8.370 nan 0.000 0.514 108 F N 1.915 121.874 119.950 0.014 0.000 2.502 108 F HA 0.078 4.649 4.527 0.074 0.000 0.298 108 F C 1.578 177.389 175.800 0.020 0.000 1.111 108 F CA 0.109 58.120 58.000 0.018 0.000 1.445 108 F CB -0.637 38.373 39.000 0.017 0.000 1.081 108 F HN 0.186 nan 8.300 nan 0.000 0.558 109 I N 0.327 120.504 120.570 -0.656 0.000 2.193 109 I HA -0.185 4.030 4.170 0.074 0.000 0.240 109 I C 2.490 178.503 176.117 -0.174 0.000 1.084 109 I CA 1.028 62.059 61.300 -0.449 0.000 1.365 109 I CB -0.538 37.132 38.000 -0.550 0.000 1.064 109 I HN 0.279 nan 8.210 nan 0.000 0.410 110 L N 1.205 122.340 121.223 -0.148 0.000 1.989 110 L HA -0.217 4.168 4.340 0.074 0.000 0.211 110 L C 2.641 179.502 176.870 -0.014 0.000 1.071 110 L CA 1.915 56.712 54.840 -0.072 0.000 0.749 110 L CB -0.555 41.467 42.059 -0.061 0.000 0.890 110 L HN 0.056 nan 8.230 nan 0.000 0.431 111 R N -0.700 119.810 120.500 0.017 0.000 2.115 111 R HA -0.156 4.228 4.340 0.074 0.000 0.230 111 R C 2.309 178.667 176.300 0.096 0.000 1.111 111 R CA 1.431 57.571 56.100 0.066 0.000 0.976 111 R CB -0.309 30.044 30.300 0.088 0.000 0.870 111 R HN 0.601 nan 8.270 nan 0.000 0.445 112 E N 1.139 121.398 120.200 0.099 0.000 2.072 112 E HA -0.208 4.187 4.350 0.074 0.000 0.190 112 E C 1.906 178.584 176.600 0.130 0.000 0.982 112 E CA 1.046 57.522 56.400 0.127 0.000 0.803 112 E CB 0.144 29.919 29.700 0.126 0.000 0.755 112 E HN 0.130 nan 8.360 nan 0.000 0.453 113 K N 0.407 120.850 120.400 0.072 0.000 2.009 113 K HA -0.159 4.205 4.320 0.074 0.000 0.210 113 K C 2.121 178.792 176.600 0.119 0.000 1.049 113 K CA 1.499 57.825 56.287 0.066 0.000 0.929 113 K CB -0.060 32.436 32.500 -0.006 0.000 0.714 113 K HN 0.145 nan 8.250 nan 0.000 0.440 114 I N 1.305 121.929 120.570 0.091 0.000 2.315 114 I HA -0.183 4.031 4.170 0.074 0.000 0.248 114 I C 2.194 178.440 176.117 0.215 0.000 1.117 114 I CA 1.313 62.691 61.300 0.131 0.000 1.404 114 I CB -1.521 36.517 38.000 0.063 0.000 1.071 114 I HN 0.255 nan 8.210 nan 0.000 0.419 115 T N -0.165 114.504 114.554 0.193 0.000 2.652 115 T HA -0.235 4.159 4.350 0.074 0.000 0.267 115 T C 1.971 176.842 174.700 0.285 0.000 1.039 115 T CA 1.538 63.782 62.100 0.241 0.000 1.153 115 T CB -0.493 68.512 68.868 0.227 0.000 0.863 115 T HN 0.345 nan 8.240 nan 0.000 0.428 116 H N -0.073 119.109 119.070 0.187 0.000 2.352 116 H HA -0.091 4.510 4.556 0.075 0.000 0.299 116 H C 2.195 177.606 175.328 0.139 0.000 1.097 116 H CA 1.704 57.844 56.048 0.154 0.000 1.311 116 H CB -0.413 29.412 29.762 0.106 0.000 1.377 116 H HN 0.417 nan 8.280 nan 0.000 0.504 117 F N 1.966 121.992 119.950 0.126 0.000 2.134 117 F HA -0.177 4.395 4.527 0.076 0.000 0.299 117 F C 1.998 177.762 175.800 -0.060 0.000 1.097 117 F CA 1.622 59.643 58.000 0.034 0.000 1.264 117 F CB -0.307 38.706 39.000 0.022 0.000 1.001 117 F HN 0.032 nan 8.300 nan 0.000 0.479 118 D N -0.941 119.399 120.400 -0.100 0.000 2.221 118 D HA -0.170 4.514 4.640 0.074 0.000 0.204 118 D C 1.258 177.222 176.300 -0.560 0.000 0.982 118 D CA 1.310 55.084 54.000 -0.375 0.000 0.857 118 D CB -0.433 40.141 40.800 -0.377 0.000 0.934 118 D HN 0.498 nan 8.370 nan 0.000 0.475 119 H N -0.168 118.783 119.070 -0.198 0.000 2.469 119 H HA 0.221 4.822 4.556 0.075 0.000 0.286 119 H C 1.035 176.203 175.328 -0.267 0.000 1.106 119 H CA -0.078 55.848 56.048 -0.202 0.000 1.055 119 H CB 0.491 30.149 29.762 -0.172 0.000 1.618 119 H HN 0.291 nan 8.280 nan 0.000 0.559 120 E N 0.662 120.711 120.200 -0.251 0.000 2.107 120 E HA -0.040 4.354 4.350 0.074 0.000 0.191 120 E C 0.528 176.996 176.600 -0.219 0.000 0.982 120 E CA 0.480 56.706 56.400 -0.290 0.000 0.809 120 E CB 0.439 29.941 29.700 -0.330 0.000 0.756 120 E HN 0.173 nan 8.360 nan 0.000 0.459 121 R N 1.368 121.788 120.500 -0.135 0.000 2.490 121 R HA 0.311 4.695 4.340 0.074 0.000 0.280 121 R C 0.480 176.818 176.300 0.064 0.000 1.077 121 R CA -0.080 56.009 56.100 -0.018 0.000 1.065 121 R CB 0.415 30.689 30.300 -0.043 0.000 1.003 121 R HN 0.192 nan 8.270 nan 0.000 0.470 122 I N -1.055 119.608 120.570 0.154 0.000 3.002 122 I HA 0.589 4.804 4.170 0.074 0.000 0.310 122 I C -2.311 173.860 176.117 0.091 0.000 1.087 122 I CA -3.019 58.359 61.300 0.131 0.000 1.017 122 I CB 1.982 40.089 38.000 0.177 0.000 1.226 122 I HN 0.238 nan 8.210 nan 0.000 0.443 123 P HA 0.118 nan 4.420 nan 0.000 0.268 123 P C -0.915 176.408 177.300 0.037 0.000 1.204 123 P CA -0.056 63.065 63.100 0.035 0.000 0.768 123 P CB 0.443 32.153 31.700 0.017 0.000 0.842 124 E N 2.626 122.850 120.200 0.041 0.000 2.369 124 E HA 0.214 4.608 4.350 0.074 0.000 0.255 124 E C -0.465 176.153 176.600 0.029 0.000 1.172 124 E CA -0.881 55.547 56.400 0.048 0.000 0.932 124 E CB 0.610 30.345 29.700 0.058 0.000 1.040 124 E HN 0.243 nan 8.360 nan 0.000 0.454 125 R N 0.768 121.290 120.500 0.036 0.000 2.585 125 R HA -0.019 4.366 4.340 0.074 0.000 0.275 125 R C 1.313 177.635 176.300 0.036 0.000 1.018 125 R CA -0.349 55.768 56.100 0.029 0.000 1.072 125 R CB 0.224 30.562 30.300 0.063 0.000 0.953 125 R HN 0.574 nan 8.270 nan 0.000 0.419 126 I N 1.963 122.545 120.570 0.020 0.000 2.194 126 I HA -0.169 4.045 4.170 0.074 0.000 0.246 126 I C 1.228 177.384 176.117 0.065 0.000 1.093 126 I CA 1.645 62.967 61.300 0.036 0.000 1.355 126 I CB -1.013 37.009 38.000 0.037 0.000 1.046 126 I HN 0.414 nan 8.210 nan 0.000 0.413 127 V N -3.617 116.365 119.914 0.114 0.000 3.078 127 V HA 0.509 4.674 4.120 0.074 0.000 0.311 127 V C 0.349 176.589 176.094 0.244 0.000 1.138 127 V CA -0.873 61.520 62.300 0.155 0.000 1.007 127 V CB 1.860 33.839 31.823 0.260 0.000 1.045 127 V HN 0.401 nan 8.190 nan 0.000 0.432 128 H N 0.451 119.582 119.070 0.101 0.000 2.839 128 H HA -0.216 4.384 4.556 0.074 0.000 0.298 128 H C 1.495 176.867 175.328 0.074 0.000 1.224 128 H CA 0.844 56.946 56.048 0.090 0.000 1.144 128 H CB -1.196 28.613 29.762 0.078 0.000 1.372 128 H HN 1.187 nan 8.280 nan 0.000 0.408 129 A N 0.596 123.500 122.820 0.139 0.000 1.969 129 A HA -0.083 4.282 4.320 0.074 0.000 0.218 129 A C 1.712 179.382 177.584 0.144 0.000 1.169 129 A CA 1.151 53.260 52.037 0.120 0.000 0.635 129 A CB -0.007 19.042 19.000 0.082 0.000 0.810 129 A HN 0.229 nan 8.150 nan 0.000 0.445 130 R N 0.347 120.934 120.500 0.145 0.000 2.196 130 R HA 0.514 4.899 4.340 0.074 0.000 0.340 130 R C -0.160 176.266 176.300 0.211 0.000 1.043 130 R CA 0.619 56.824 56.100 0.174 0.000 0.883 130 R CB 0.164 30.553 30.300 0.149 0.000 1.078 130 R HN 0.336 nan 8.270 nan 0.000 0.462 131 G N 0.836 109.784 108.800 0.247 0.000 2.673 131 G HA2 0.499 4.504 3.960 0.074 0.000 0.292 131 G HA3 0.499 4.504 3.960 0.074 0.000 0.292 131 G C -1.632 173.423 174.900 0.258 0.000 1.450 131 G CA -0.594 44.624 45.100 0.197 0.000 0.837 131 G HN 0.474 nan 8.290 nan 0.000 0.505 132 S N -0.901 114.912 115.700 0.189 0.000 2.557 132 S HA 0.875 5.390 4.470 0.074 0.000 0.291 132 S C -0.090 174.530 174.600 0.034 0.000 1.116 132 S CA -0.198 58.163 58.200 0.269 0.000 0.992 132 S CB 1.713 65.191 63.200 0.463 0.000 1.028 132 S HN 1.514 nan 8.310 nan 0.000 0.484 133 A N 1.696 124.491 122.820 -0.043 0.000 2.430 133 A HA 1.040 5.404 4.320 0.074 0.000 0.300 133 A C -0.767 176.629 177.584 -0.312 0.000 1.124 133 A CA -0.764 51.036 52.037 -0.395 0.000 0.766 133 A CB 1.605 20.187 19.000 -0.698 0.000 1.328 133 A HN 1.332 nan 8.150 nan 0.000 0.424 134 A N 0.335 122.808 122.820 -0.578 0.000 2.609 134 A HA 0.725 5.089 4.320 0.074 0.000 0.291 134 A C -1.010 176.392 177.584 -0.302 0.000 1.096 134 A CA -0.673 51.192 52.037 -0.287 0.000 0.684 134 A CB 0.713 19.638 19.000 -0.124 0.000 1.282 134 A HN 0.887 nan 8.150 nan 0.000 0.412 135 H N -0.441 118.670 119.070 0.069 0.000 2.495 135 H HA 0.712 5.312 4.556 0.074 0.000 0.350 135 H C 0.614 175.954 175.328 0.019 0.000 1.202 135 H CA 0.672 56.810 56.048 0.151 0.000 1.322 135 H CB 1.799 31.645 29.762 0.141 0.000 1.544 135 H HN 1.166 nan 8.280 nan 0.000 0.565 136 G N 0.090 109.001 108.800 0.185 0.000 2.435 136 G HA2 0.355 4.359 3.960 0.074 0.000 0.296 136 G HA3 0.355 4.359 3.960 0.074 0.000 0.296 136 G C -2.115 172.920 174.900 0.225 0.000 1.240 136 G CA -0.694 44.470 45.100 0.107 0.000 0.872 136 G HN 0.647 nan 8.290 nan 0.000 0.480 137 Y N -1.787 118.552 120.300 0.065 0.000 2.581 137 Y HA 0.827 5.421 4.550 0.074 0.000 0.337 137 Y C -1.678 174.353 175.900 0.219 0.000 1.108 137 Y CA -1.854 56.324 58.100 0.130 0.000 1.033 137 Y CB 1.823 40.331 38.460 0.080 0.000 1.318 137 Y HN 0.799 nan 8.280 nan 0.000 0.459 138 F N 3.234 123.330 119.950 0.243 0.000 2.561 138 F HA 0.709 5.282 4.527 0.076 0.000 0.321 138 F C -1.197 174.789 175.800 0.310 0.000 1.065 138 F CA -0.570 57.578 58.000 0.246 0.000 0.934 138 F CB 2.235 41.502 39.000 0.445 0.000 1.215 138 F HN 0.808 nan 8.300 nan 0.000 0.471 139 Q N 6.135 125.299 119.800 -1.060 0.000 2.378 139 Q HA 0.465 4.850 4.340 0.074 0.000 0.262 139 Q C -3.350 171.990 176.000 -1.099 0.000 0.978 139 Q CA -2.052 53.301 55.803 -0.750 0.000 0.918 139 Q CB 2.877 31.513 28.738 -0.169 0.000 1.415 139 Q HN 0.348 nan 8.270 nan 0.000 0.409 140 P HA 0.057 nan 4.420 nan 0.000 0.274 140 P C -0.431 176.709 177.300 -0.268 0.000 1.231 140 P CA -0.057 62.782 63.100 -0.436 0.000 0.790 140 P CB 0.637 32.260 31.700 -0.130 0.000 0.951 141 Y N 0.927 121.169 120.300 -0.098 0.000 2.286 141 Y HA -0.040 4.555 4.550 0.075 0.000 0.293 141 Y C 1.427 177.301 175.900 -0.044 0.000 1.124 141 Y CA 0.599 58.663 58.100 -0.060 0.000 1.178 141 Y CB 0.188 38.623 38.460 -0.043 0.000 1.010 141 Y HN 0.363 nan 8.280 nan 0.000 0.536 142 K N -1.243 119.216 120.400 0.097 0.000 2.555 142 K HA 0.413 4.777 4.320 0.074 0.000 0.279 142 K C -0.908 175.697 176.600 0.008 0.000 0.986 142 K CA -0.979 55.337 56.287 0.049 0.000 0.880 142 K CB 1.522 34.053 32.500 0.051 0.000 1.474 142 K HN -0.263 nan 8.250 nan 0.000 0.433 143 S N 0.716 116.418 115.700 0.003 0.000 2.537 143 S HA 0.122 4.636 4.470 0.074 0.000 0.286 143 S C 0.382 174.973 174.600 -0.015 0.000 1.299 143 S CA -0.562 57.631 58.200 -0.012 0.000 1.067 143 S CB -0.169 63.028 63.200 -0.006 0.000 0.864 143 S HN 0.560 nan 8.310 nan 0.000 0.494 144 L N 4.740 125.943 121.223 -0.033 0.000 2.872 144 L HA 0.127 4.511 4.340 0.074 0.000 0.245 144 L C 2.021 178.875 176.870 -0.027 0.000 1.211 144 L CA -0.014 54.814 54.840 -0.019 0.000 1.013 144 L CB -0.199 41.854 42.059 -0.011 0.000 1.326 144 L HN 0.859 nan 8.230 nan 0.000 0.525 145 S N -1.636 114.046 115.700 -0.030 0.000 2.440 145 S HA -0.199 4.316 4.470 0.074 0.000 0.238 145 S C 1.258 175.840 174.600 -0.030 0.000 1.010 145 S CA 1.207 59.388 58.200 -0.033 0.000 0.972 145 S CB -0.169 63.016 63.200 -0.024 0.000 0.774 145 S HN 0.411 nan 8.310 nan 0.000 0.501 146 D N 1.971 122.358 120.400 -0.021 0.000 2.219 146 D HA 0.031 4.715 4.640 0.074 0.000 0.205 146 D C 1.851 178.132 176.300 -0.032 0.000 0.970 146 D CA 1.376 55.362 54.000 -0.022 0.000 0.851 146 D CB -0.182 40.610 40.800 -0.012 0.000 0.943 146 D HN 0.796 nan 8.370 nan 0.000 0.488 147 I N -3.789 116.762 120.570 -0.032 0.000 4.187 147 I HA 0.212 4.426 4.170 0.074 0.000 0.326 147 I C 0.507 176.576 176.117 -0.079 0.000 1.302 147 I CA 0.056 61.326 61.300 -0.050 0.000 1.196 147 I CB 1.098 39.085 38.000 -0.020 0.000 1.095 147 I HN -0.259 nan 8.210 nan 0.000 0.411 148 T N 1.489 116.001 114.554 -0.070 0.000 2.923 148 T HA 0.349 4.744 4.350 0.074 0.000 0.311 148 T C -0.101 174.545 174.700 -0.091 0.000 1.183 148 T CA -0.710 61.330 62.100 -0.100 0.000 1.020 148 T CB 1.866 70.663 68.868 -0.118 0.000 1.165 148 T HN 0.423 nan 8.240 nan 0.000 0.482 149 K N 2.072 122.416 120.400 -0.093 0.000 2.410 149 K HA 0.602 4.966 4.320 0.074 0.000 0.200 149 K C 0.644 177.207 176.600 -0.063 0.000 1.023 149 K CA -0.412 55.833 56.287 -0.070 0.000 1.149 149 K CB 0.347 32.810 32.500 -0.061 0.000 0.859 149 K HN 0.465 nan 8.250 nan 0.000 0.514 150 A N 1.958 124.717 122.820 -0.100 0.000 2.492 150 A HA -0.021 4.343 4.320 0.074 0.000 0.254 150 A C 0.507 178.058 177.584 -0.055 0.000 1.091 150 A CA -0.085 51.906 52.037 -0.076 0.000 0.768 150 A CB 0.187 19.093 19.000 -0.156 0.000 1.028 150 A HN 0.418 nan 8.150 nan 0.000 0.498 151 D N 2.083 122.521 120.400 0.063 0.000 2.149 151 D HA -0.237 4.448 4.640 0.074 0.000 0.198 151 D C 1.377 177.762 176.300 0.142 0.000 0.990 151 D CA 2.358 56.413 54.000 0.092 0.000 0.839 151 D CB -0.245 40.625 40.800 0.117 0.000 0.948 151 D HN 0.735 nan 8.370 nan 0.000 0.460 152 F N -0.808 119.163 119.950 0.035 0.000 2.546 152 F HA 0.141 4.713 4.527 0.075 0.000 0.298 152 F C 1.192 177.084 175.800 0.153 0.000 1.120 152 F CA 0.364 58.430 58.000 0.110 0.000 1.456 152 F CB -0.236 38.831 39.000 0.112 0.000 1.088 152 F HN -0.067 nan 8.300 nan 0.000 0.572 153 L N 0.771 121.678 121.223 -0.526 0.000 2.728 153 L HA 0.175 4.560 4.340 0.074 0.000 0.238 153 L C 2.003 178.781 176.870 -0.154 0.000 1.143 153 L CA 0.379 54.983 54.840 -0.394 0.000 0.937 153 L CB -0.082 41.629 42.059 -0.580 0.000 1.225 153 L HN 0.338 nan 8.230 nan 0.000 0.507 154 S N -2.377 113.273 115.700 -0.082 0.000 2.524 154 S HA 0.038 4.553 4.470 0.074 0.000 0.216 154 S C 0.376 174.972 174.600 -0.007 0.000 0.987 154 S CA -0.118 58.061 58.200 -0.036 0.000 0.909 154 S CB 0.140 63.331 63.200 -0.015 0.000 0.781 154 S HN 0.330 nan 8.310 nan 0.000 0.521 155 D N 0.661 121.066 120.400 0.008 0.000 2.966 155 D HA 0.324 5.008 4.640 0.074 0.000 0.222 155 D C -2.512 173.798 176.300 0.016 0.000 1.292 155 D CA -1.809 52.201 54.000 0.018 0.000 0.907 155 D CB 2.199 43.017 40.800 0.031 0.000 1.621 155 D HN -0.154 nan 8.370 nan 0.000 0.557 156 P HA -0.043 nan 4.420 nan 0.000 0.222 156 P C 0.338 177.646 177.300 0.014 0.000 1.147 156 P CA 0.729 63.834 63.100 0.008 0.000 0.790 156 P CB 0.457 32.175 31.700 0.030 0.000 0.780 157 N N -0.490 118.225 118.700 0.024 0.000 2.204 157 N HA 0.049 4.834 4.740 0.074 0.000 0.219 157 N C 0.242 175.775 175.510 0.038 0.000 1.151 157 N CA -0.012 53.055 53.050 0.028 0.000 0.867 157 N CB 0.726 39.228 38.487 0.024 0.000 1.043 157 N HN 0.225 nan 8.380 nan 0.000 0.516 158 K N 1.643 122.075 120.400 0.053 0.000 2.334 158 K HA 0.378 4.743 4.320 0.074 0.000 0.265 158 K C -0.566 176.111 176.600 0.129 0.000 1.039 158 K CA -0.296 56.042 56.287 0.085 0.000 0.920 158 K CB 0.575 33.131 32.500 0.095 0.000 1.160 158 K HN -0.054 nan 8.250 nan 0.000 0.451 159 I N 3.268 123.916 120.570 0.129 0.000 2.396 159 I HA 0.177 4.392 4.170 0.074 0.000 0.292 159 I C -0.122 176.150 176.117 0.258 0.000 0.999 159 I CA -0.439 60.974 61.300 0.188 0.000 1.310 159 I CB 1.905 39.974 38.000 0.116 0.000 1.404 159 I HN 0.557 nan 8.210 nan 0.000 0.496 160 T N 6.684 121.473 114.554 0.392 0.000 2.792 160 T HA 0.363 4.757 4.350 0.074 0.000 0.280 160 T C -2.532 172.421 174.700 0.423 0.000 0.990 160 T CA -1.448 60.913 62.100 0.434 0.000 0.960 160 T CB 1.633 70.866 68.868 0.609 0.000 0.939 160 T HN 0.246 nan 8.240 nan 0.000 0.439 161 P HA 0.301 nan 4.420 nan 0.000 0.271 161 P C -0.596 176.941 177.300 0.395 0.000 1.216 161 P CA -0.461 62.832 63.100 0.323 0.000 0.776 161 P CB 0.580 32.400 31.700 0.200 0.000 0.881 162 V N 0.538 120.628 119.914 0.293 0.000 3.074 162 V HA 0.745 4.910 4.120 0.074 0.000 0.314 162 V C -1.295 174.973 176.094 0.291 0.000 1.117 162 V CA -0.988 61.394 62.300 0.136 0.000 1.014 162 V CB 2.220 33.912 31.823 -0.219 0.000 1.057 162 V HN 0.313 nan 8.190 nan 0.000 0.438 163 F N 2.007 121.950 119.950 -0.012 0.000 2.539 163 F HA 0.845 5.416 4.527 0.073 0.000 0.318 163 F C -0.868 174.844 175.800 -0.146 0.000 1.135 163 F CA -0.744 57.198 58.000 -0.096 0.000 0.915 163 F CB 2.029 40.998 39.000 -0.052 0.000 1.176 163 F HN 0.534 nan 8.300 nan 0.000 0.440 164 V N 6.351 125.823 119.914 -0.736 0.000 2.604 164 V HA 0.596 4.760 4.120 0.074 0.000 0.305 164 V C -0.787 174.659 176.094 -1.079 0.000 1.043 164 V CA -0.869 60.926 62.300 -0.842 0.000 0.888 164 V CB 2.056 33.322 31.823 -0.928 0.000 0.995 164 V HN 0.737 nan 8.190 nan 0.000 0.429 165 R N 3.292 123.158 120.500 -1.057 0.000 2.513 165 R HA 0.646 5.031 4.340 0.074 0.000 0.301 165 R C -1.766 173.945 176.300 -0.981 0.000 0.968 165 R CA -0.412 55.173 56.100 -0.858 0.000 0.872 165 R CB 1.262 31.265 30.300 -0.494 0.000 1.177 165 R HN 0.551 nan 8.270 nan 0.000 0.444 166 F N 2.069 121.622 119.950 -0.660 0.000 2.458 166 F HA 0.545 5.118 4.527 0.076 0.000 0.330 166 F C 0.453 175.903 175.800 -0.583 0.000 1.082 166 F CA -0.217 57.258 58.000 -0.874 0.000 0.995 166 F CB 2.223 40.163 39.000 -1.767 0.000 1.170 166 F HN 0.647 nan 8.300 nan 0.000 0.478 167 S N -0.792 114.838 115.700 -0.116 0.000 2.656 167 S HA 0.706 5.220 4.470 0.074 0.000 0.273 167 S C -0.622 174.126 174.600 0.247 0.000 1.168 167 S CA -0.857 57.420 58.200 0.128 0.000 0.817 167 S CB 1.465 64.797 63.200 0.221 0.000 1.146 167 S HN 0.685 nan 8.310 nan 0.000 0.475 168 T N -1.646 113.044 114.554 0.226 0.000 2.880 168 T HA 0.702 5.096 4.350 0.074 0.000 0.279 168 T C 0.846 175.520 174.700 -0.044 0.000 0.990 168 T CA -0.324 61.871 62.100 0.160 0.000 0.938 168 T CB 0.608 69.571 68.868 0.158 0.000 1.206 168 T HN 0.524 nan 8.240 nan 0.000 0.573 169 V N 0.117 119.960 119.914 -0.117 0.000 2.735 169 V HA 0.064 4.228 4.120 0.074 0.000 0.234 169 V C 2.823 178.827 176.094 -0.150 0.000 1.121 169 V CA 0.500 62.604 62.300 -0.326 0.000 1.160 169 V CB -0.561 31.189 31.823 -0.121 0.000 0.908 169 V HN 0.881 nan 8.190 nan 0.000 0.495 170 Q N 1.039 120.793 119.800 -0.076 0.000 2.049 170 Q HA 0.029 4.413 4.340 0.074 0.000 0.198 170 Q C 1.320 177.293 176.000 -0.046 0.000 0.971 170 Q CA 1.393 57.151 55.803 -0.074 0.000 0.833 170 Q CB -0.540 28.138 28.738 -0.101 0.000 0.896 170 Q HN 0.587 nan 8.270 nan 0.000 0.434 171 G N 0.034 108.822 108.800 -0.021 0.000 2.614 171 G HA2 0.323 4.328 3.960 0.074 0.000 0.239 171 G HA3 0.323 4.328 3.960 0.074 0.000 0.239 171 G C 0.239 175.143 174.900 0.007 0.000 1.240 171 G CA 0.113 45.207 45.100 -0.009 0.000 0.842 171 G HN 0.357 nan 8.290 nan 0.000 0.584 172 G N -0.790 108.010 108.800 0.001 0.000 2.653 172 G HA2 0.471 4.475 3.960 0.074 0.000 0.265 172 G HA3 0.471 4.475 3.960 0.074 0.000 0.265 172 G C 1.371 176.297 174.900 0.044 0.000 1.237 172 G CA 0.440 45.549 45.100 0.016 0.000 0.946 172 G HN 1.103 nan 8.290 nan 0.000 0.522 173 A N -0.796 122.059 122.820 0.058 0.000 2.019 173 A HA 0.122 4.487 4.320 0.074 0.000 0.219 173 A C 2.239 179.859 177.584 0.060 0.000 1.164 173 A CA 2.008 54.099 52.037 0.089 0.000 0.644 173 A CB -0.426 18.642 19.000 0.113 0.000 0.805 173 A HN 1.134 nan 8.150 nan 0.000 0.449 174 G N -0.142 108.674 108.800 0.028 0.000 3.284 174 G HA2 0.335 4.340 3.960 0.074 0.000 0.236 174 G HA3 0.335 4.340 3.960 0.074 0.000 0.236 174 G C 0.681 175.582 174.900 0.001 0.000 1.158 174 G CA 0.639 45.742 45.100 0.004 0.000 0.774 174 G HN 0.651 nan 8.290 nan 0.000 0.545 175 S N -0.193 115.517 115.700 0.015 0.000 2.661 175 S HA 0.722 5.237 4.470 0.074 0.000 0.265 175 S C 0.503 175.115 174.600 0.021 0.000 1.225 175 S CA -0.104 58.102 58.200 0.009 0.000 0.986 175 S CB 1.545 64.751 63.200 0.010 0.000 1.008 175 S HN 0.554 nan 8.310 nan 0.000 0.565 176 A N 0.242 123.070 122.820 0.014 0.000 2.322 176 A HA 0.394 4.758 4.320 0.074 0.000 0.269 176 A C 0.669 178.275 177.584 0.037 0.000 1.094 176 A CA -0.566 51.477 52.037 0.009 0.000 0.807 176 A CB -0.123 18.866 19.000 -0.020 0.000 1.047 176 A HN 0.863 nan 8.150 nan 0.000 0.487 177 D N 0.563 120.976 120.400 0.022 0.000 2.123 177 D HA -0.070 4.614 4.640 0.074 0.000 0.200 177 D C 1.558 177.848 176.300 -0.018 0.000 0.976 177 D CA 2.258 56.284 54.000 0.044 0.000 0.831 177 D CB -0.168 40.603 40.800 -0.048 0.000 0.974 177 D HN 0.679 nan 8.370 nan 0.000 0.469 178 T N -0.363 114.102 114.554 -0.147 0.000 3.268 178 T HA 0.319 4.714 4.350 0.074 0.000 0.244 178 T C 0.786 175.483 174.700 -0.005 0.000 0.915 178 T CA -0.602 61.411 62.100 -0.144 0.000 0.935 178 T CB -0.791 67.900 68.868 -0.295 0.000 1.110 178 T HN -0.073 nan 8.240 nan 0.000 0.573 179 V N -1.221 118.739 119.914 0.076 0.000 3.319 179 V HA 0.475 4.640 4.120 0.074 0.000 0.303 179 V C 0.683 176.921 176.094 0.240 0.000 1.094 179 V CA -1.464 60.929 62.300 0.154 0.000 1.106 179 V CB 0.461 32.360 31.823 0.126 0.000 1.099 179 V HN 0.556 nan 8.190 nan 0.000 0.476 180 R N 1.402 122.090 120.500 0.313 0.000 2.267 180 R HA 0.572 4.957 4.340 0.074 0.000 0.319 180 R C -0.289 176.098 176.300 0.145 0.000 1.067 180 R CA 0.610 56.850 56.100 0.233 0.000 0.936 180 R CB 0.428 30.795 30.300 0.112 0.000 1.006 180 R HN 1.159 nan 8.270 nan 0.000 0.452 181 S N 4.651 120.450 115.700 0.165 0.000 2.597 181 S HA 0.258 4.773 4.470 0.074 0.000 0.274 181 S C -0.834 173.885 174.600 0.198 0.000 1.132 181 S CA -0.960 57.332 58.200 0.154 0.000 0.835 181 S CB 0.661 63.943 63.200 0.137 0.000 1.092 181 S HN 0.429 nan 8.310 nan 0.000 0.457 182 I N 3.229 123.931 120.570 0.219 0.000 2.813 182 I HA 0.309 4.523 4.170 0.074 0.000 0.287 182 I C 0.731 176.994 176.117 0.242 0.000 1.196 182 I CA 0.205 61.639 61.300 0.223 0.000 1.421 182 I CB 0.095 38.249 38.000 0.257 0.000 1.365 182 I HN 0.580 nan 8.210 nan 0.000 0.591 183 R N 3.437 124.096 120.500 0.266 0.000 2.589 183 R HA 0.558 4.943 4.340 0.074 0.000 0.293 183 R C 0.047 176.539 176.300 0.320 0.000 0.963 183 R CA -0.737 55.536 56.100 0.288 0.000 0.905 183 R CB 1.483 31.960 30.300 0.296 0.000 1.144 183 R HN 0.801 nan 8.270 nan 0.000 0.459 184 G N 0.689 109.700 108.800 0.351 0.000 2.504 184 G HA2 0.470 4.474 3.960 0.074 0.000 0.288 184 G HA3 0.470 4.474 3.960 0.074 0.000 0.288 184 G C -1.235 173.746 174.900 0.134 0.000 1.182 184 G CA -0.040 45.227 45.100 0.277 0.000 0.894 184 G HN 0.371 nan 8.290 nan 0.000 0.521 185 F N 1.166 121.014 119.950 -0.170 0.000 3.228 185 F HA 0.605 5.176 4.527 0.073 0.000 0.390 185 F C -0.198 175.311 175.800 -0.485 0.000 1.235 185 F CA -1.695 56.121 58.000 -0.307 0.000 1.236 185 F CB 0.702 39.639 39.000 -0.104 0.000 1.855 185 F HN 0.673 nan 8.300 nan 0.000 0.647 186 A N 2.854 125.399 122.820 -0.457 0.000 2.304 186 A HA 0.813 5.178 4.320 0.074 0.000 0.323 186 A C -0.504 176.609 177.584 -0.786 0.000 1.195 186 A CA -0.403 51.188 52.037 -0.744 0.000 0.826 186 A CB 0.838 19.050 19.000 -1.314 0.000 1.184 186 A HN 0.507 nan 8.150 nan 0.000 0.496 187 T N 2.331 116.594 114.554 -0.484 0.000 2.840 187 T HA 0.381 4.776 4.350 0.074 0.000 0.287 187 T C -0.456 174.083 174.700 -0.268 0.000 0.991 187 T CA -0.491 61.371 62.100 -0.396 0.000 0.964 187 T CB 1.039 69.658 68.868 -0.415 0.000 0.954 187 T HN 0.643 nan 8.240 nan 0.000 0.438 188 K N 3.517 123.836 120.400 -0.136 0.000 2.263 188 K HA 0.483 4.847 4.320 0.074 0.000 0.272 188 K C -1.320 174.957 176.600 -0.538 0.000 1.033 188 K CA -0.596 55.528 56.287 -0.270 0.000 0.884 188 K CB 0.409 32.706 32.500 -0.338 0.000 1.107 188 K HN 0.379 nan 8.250 nan 0.000 0.460 189 F N 4.295 123.955 119.950 -0.483 0.000 2.385 189 F HA 0.255 4.825 4.527 0.073 0.000 0.360 189 F C -0.511 175.077 175.800 -0.355 0.000 1.122 189 F CA -0.614 57.168 58.000 -0.363 0.000 1.090 189 F CB 0.776 39.494 39.000 -0.471 0.000 1.150 189 F HN 0.434 nan 8.300 nan 0.000 0.472 190 Y N 1.793 122.156 120.300 0.105 0.000 2.714 190 Y HA 0.239 4.833 4.550 0.074 0.000 0.333 190 Y C 1.030 176.988 175.900 0.098 0.000 1.220 190 Y CA -0.876 57.265 58.100 0.068 0.000 1.513 190 Y CB -0.128 38.360 38.460 0.046 0.000 1.435 190 Y HN 0.555 nan 8.280 nan 0.000 0.489 191 T N -2.468 112.183 114.554 0.163 0.000 2.847 191 T HA 0.169 4.563 4.350 0.074 0.000 0.279 191 T C 1.033 175.824 174.700 0.152 0.000 0.984 191 T CA -0.651 61.548 62.100 0.165 0.000 0.988 191 T CB 1.077 70.014 68.868 0.114 0.000 1.040 191 T HN 0.640 nan 8.240 nan 0.000 0.528 192 E N -0.024 120.270 120.200 0.156 0.000 2.347 192 E HA -0.042 4.353 4.350 0.074 0.000 0.196 192 E C 1.098 177.763 176.600 0.107 0.000 1.008 192 E CA 0.745 57.220 56.400 0.125 0.000 0.852 192 E CB 0.130 29.901 29.700 0.118 0.000 0.783 192 E HN 0.730 nan 8.360 nan 0.000 0.505 193 E N 0.001 120.266 120.200 0.108 0.000 2.651 193 E HA 0.261 4.656 4.350 0.074 0.000 0.208 193 E C 0.051 176.696 176.600 0.074 0.000 0.997 193 E CA -0.243 56.212 56.400 0.092 0.000 1.020 193 E CB 1.376 31.133 29.700 0.096 0.000 1.052 193 E HN 0.166 nan 8.360 nan 0.000 0.465 194 G N 1.117 109.956 108.800 0.065 0.000 2.362 194 G HA2 -0.083 3.921 3.960 0.074 0.000 0.656 194 G HA3 -0.083 3.921 3.960 0.074 0.000 0.656 194 G C -0.887 174.014 174.900 0.002 0.000 1.376 194 G CA -1.124 43.990 45.100 0.024 0.000 0.971 194 G HN 0.015 nan 8.290 nan 0.000 0.636 195 I N 0.574 121.108 120.570 -0.060 0.000 2.588 195 I HA 0.389 4.604 4.170 0.074 0.000 0.283 195 I C -0.011 176.091 176.117 -0.026 0.000 1.119 195 I CA 0.080 61.316 61.300 -0.106 0.000 1.419 195 I CB 0.924 38.790 38.000 -0.223 0.000 1.394 195 I HN 0.465 nan 8.210 nan 0.000 0.562 196 F N 6.327 126.154 119.950 -0.205 0.000 2.460 196 F HA 0.442 5.012 4.527 0.072 0.000 0.341 196 F C -0.745 175.005 175.800 -0.084 0.000 1.130 196 F CA -1.261 56.606 58.000 -0.222 0.000 0.962 196 F CB 0.786 39.466 39.000 -0.532 0.000 1.171 196 F HN 0.337 nan 8.300 nan 0.000 0.436 197 D N 6.896 127.060 120.400 -0.393 0.000 2.233 197 D HA 0.269 4.954 4.640 0.074 0.000 0.240 197 D C -0.693 175.114 176.300 -0.822 0.000 1.074 197 D CA -0.013 53.726 54.000 -0.435 0.000 0.838 197 D CB 2.495 43.258 40.800 -0.061 0.000 1.124 197 D HN 0.625 nan 8.370 nan 0.000 0.475 198 L N 3.092 123.829 121.223 -0.809 0.000 2.283 198 L HA 0.308 4.692 4.340 0.074 0.000 0.281 198 L C -1.081 175.576 176.870 -0.356 0.000 1.033 198 L CA -0.677 53.745 54.840 -0.697 0.000 0.848 198 L CB 0.849 42.517 42.059 -0.651 0.000 1.226 198 L HN 0.050 nan 8.230 nan 0.000 0.429 199 V N 5.356 125.110 119.914 -0.267 0.000 2.259 199 V HA 0.566 4.731 4.120 0.074 0.000 0.267 199 V C 0.721 176.737 176.094 -0.131 0.000 1.051 199 V CA -0.305 61.856 62.300 -0.230 0.000 0.830 199 V CB 0.538 32.216 31.823 -0.243 0.000 1.080 199 V HN 0.841 nan 8.190 nan 0.000 0.467 200 G N 3.277 112.010 108.800 -0.112 0.000 3.108 200 G HA2 0.693 4.698 3.960 0.074 0.000 0.268 200 G HA3 0.693 4.698 3.960 0.074 0.000 0.268 200 G C -1.028 173.902 174.900 0.049 0.000 1.361 200 G CA -0.598 44.486 45.100 -0.028 0.000 1.047 200 G HN 0.466 nan 8.290 nan 0.000 0.540 201 N N -1.027 117.745 118.700 0.121 0.000 3.038 201 N HA 0.252 5.037 4.740 0.074 0.000 0.307 201 N C 0.234 175.917 175.510 0.289 0.000 1.441 201 N CA -0.716 52.462 53.050 0.214 0.000 0.772 201 N CB 1.341 39.950 38.487 0.204 0.000 1.651 201 N HN 0.534 nan 8.380 nan 0.000 0.593 202 N N -1.145 117.737 118.700 0.304 0.000 2.268 202 N HA 0.002 4.786 4.740 0.074 0.000 0.204 202 N C -0.647 175.106 175.510 0.405 0.000 1.124 202 N CA -0.068 53.210 53.050 0.380 0.000 0.838 202 N CB -0.119 38.572 38.487 0.340 0.000 0.994 202 N HN 0.540 nan 8.380 nan 0.000 0.489 203 T N -3.542 111.082 114.554 0.117 0.000 2.909 203 T HA 0.422 4.816 4.350 0.074 0.000 0.299 203 T C -2.614 171.506 174.700 -0.967 0.000 1.073 203 T CA -1.515 60.237 62.100 -0.580 0.000 0.999 203 T CB 2.930 71.340 68.868 -0.764 0.000 1.098 203 T HN -0.260 nan 8.240 nan 0.000 0.477 204 P HA 0.150 nan 4.420 nan 0.000 0.242 204 P C 0.461 177.242 177.300 -0.864 0.000 1.197 204 P CA 0.213 62.399 63.100 -1.524 0.000 0.765 204 P CB -0.103 30.636 31.700 -1.602 0.000 0.936 205 I N -4.540 115.499 120.570 -0.886 0.000 3.042 205 I HA 0.534 4.749 4.170 0.074 0.000 0.310 205 I C -1.099 174.748 176.117 -0.451 0.000 1.117 205 I CA -2.162 58.776 61.300 -0.603 0.000 1.003 205 I CB 1.286 38.910 38.000 -0.627 0.000 1.228 205 I HN -0.251 nan 8.210 nan 0.000 0.443 206 F N 1.111 120.802 119.950 -0.431 0.000 2.518 206 F HA 0.503 5.076 4.527 0.077 0.000 0.338 206 F C 0.448 176.038 175.800 -0.350 0.000 1.065 206 F CA -0.705 57.084 58.000 -0.353 0.000 1.012 206 F CB 1.706 40.623 39.000 -0.138 0.000 1.297 206 F HN 0.385 nan 8.300 nan 0.000 0.489 207 F N 2.096 121.330 119.950 -1.193 0.000 2.325 207 F HA 0.074 4.645 4.527 0.073 0.000 0.299 207 F C 0.576 176.116 175.800 -0.433 0.000 1.090 207 F CA 0.653 58.136 58.000 -0.861 0.000 1.392 207 F CB -0.151 37.970 39.000 -1.464 0.000 1.053 207 F HN 0.122 nan 8.300 nan 0.000 0.521 208 I N -3.611 116.960 120.570 0.002 0.000 2.934 208 I HA 0.368 4.582 4.170 0.074 0.000 0.306 208 I C 0.346 176.607 176.117 0.241 0.000 1.110 208 I CA -0.856 60.535 61.300 0.151 0.000 1.019 208 I CB 1.925 40.059 38.000 0.224 0.000 1.227 208 I HN -0.183 nan 8.210 nan 0.000 0.434 209 Q N 0.459 120.400 119.800 0.235 0.000 2.165 209 Q HA 0.106 4.491 4.340 0.074 0.000 0.197 209 Q C -0.206 175.962 176.000 0.279 0.000 0.952 209 Q CA 0.816 56.794 55.803 0.290 0.000 0.848 209 Q CB 0.377 29.347 28.738 0.387 0.000 0.931 209 Q HN 0.648 nan 8.270 nan 0.000 0.470 210 D N -1.194 119.345 120.400 0.232 0.000 2.362 210 D HA 0.303 4.988 4.640 0.074 0.000 0.247 210 D C 0.052 176.472 176.300 0.200 0.000 1.050 210 D CA -0.184 53.924 54.000 0.180 0.000 0.839 210 D CB 1.827 42.710 40.800 0.139 0.000 1.283 210 D HN 0.053 nan 8.370 nan 0.000 0.477 211 A N 3.392 126.301 122.820 0.149 0.000 2.032 211 A HA -0.253 4.112 4.320 0.074 0.000 0.221 211 A C 1.804 179.497 177.584 0.182 0.000 1.165 211 A CA 1.763 53.880 52.037 0.133 0.000 0.645 211 A CB -0.789 18.236 19.000 0.041 0.000 0.807 211 A HN 0.821 nan 8.150 nan 0.000 0.453 212 H N 0.016 119.140 119.070 0.090 0.000 2.457 212 H HA -0.025 4.574 4.556 0.072 0.000 0.297 212 H C 1.542 176.944 175.328 0.123 0.000 1.092 212 H CA 1.867 57.962 56.048 0.080 0.000 1.309 212 H CB 0.090 29.877 29.762 0.041 0.000 1.382 212 H HN 0.382 nan 8.280 nan 0.000 0.535 213 K N -0.520 119.997 120.400 0.195 0.000 2.444 213 K HA -0.045 4.320 4.320 0.074 0.000 0.193 213 K C 1.426 178.154 176.600 0.213 0.000 1.024 213 K CA -0.013 56.390 56.287 0.193 0.000 1.077 213 K CB 0.023 32.693 32.500 0.282 0.000 0.833 213 K HN 0.301 nan 8.250 nan 0.000 0.517 214 F N 3.083 123.076 119.950 0.071 0.000 2.065 214 F HA -0.181 4.391 4.527 0.074 0.000 0.298 214 F C -0.943 174.859 175.800 0.003 0.000 1.112 214 F CA 1.610 59.671 58.000 0.102 0.000 1.212 214 F CB -0.585 38.464 39.000 0.082 0.000 0.975 214 F HN 0.028 nan 8.300 nan 0.000 0.476 215 P HA -0.152 nan 4.420 nan 0.000 0.216 215 P C 1.015 177.969 177.300 -0.577 0.000 1.150 215 P CA 1.876 64.726 63.100 -0.417 0.000 0.837 215 P CB -0.092 31.390 31.700 -0.363 0.000 0.786 216 D N -1.330 118.886 120.400 -0.307 0.000 2.084 216 D HA -0.153 4.532 4.640 0.074 0.000 0.196 216 D C 1.814 177.835 176.300 -0.466 0.000 0.985 216 D CA 1.047 54.917 54.000 -0.216 0.000 0.826 216 D CB -0.876 39.966 40.800 0.070 0.000 0.978 216 D HN 0.158 nan 8.370 nan 0.000 0.456 217 F N 1.755 121.298 119.950 -0.678 0.000 2.102 217 F HA -0.207 4.363 4.527 0.073 0.000 0.298 217 F C 2.194 177.596 175.800 -0.663 0.000 1.105 217 F CA 1.076 58.469 58.000 -1.013 0.000 1.239 217 F CB -0.148 38.466 39.000 -0.644 0.000 0.991 217 F HN -0.244 nan 8.300 nan 0.000 0.474 218 V N 0.371 119.877 119.914 -0.680 0.000 2.358 218 V HA -0.319 3.846 4.120 0.074 0.000 0.246 218 V C 2.270 178.156 176.094 -0.347 0.000 1.047 218 V CA 2.392 64.332 62.300 -0.600 0.000 1.035 218 V CB -1.132 30.351 31.823 -0.567 0.000 0.658 218 V HN 0.470 nan 8.190 nan 0.000 0.452 219 H N 0.006 118.855 119.070 -0.368 0.000 2.352 219 H HA -0.140 4.461 4.556 0.074 0.000 0.299 219 H C 2.343 177.530 175.328 -0.236 0.000 1.097 219 H CA 1.103 57.011 56.048 -0.234 0.000 1.311 219 H CB 0.014 29.688 29.762 -0.147 0.000 1.377 219 H HN 0.488 nan 8.280 nan 0.000 0.504 220 A N 0.458 123.126 122.820 -0.254 0.000 1.930 220 A HA -0.101 4.264 4.320 0.074 0.000 0.217 220 A C 2.489 179.921 177.584 -0.252 0.000 1.175 220 A CA 1.318 53.201 52.037 -0.257 0.000 0.627 220 A CB -0.656 18.081 19.000 -0.439 0.000 0.815 220 A HN 0.299 nan 8.150 nan 0.000 0.443 221 V N -0.205 119.427 119.914 -0.470 0.000 2.788 221 V HA 0.003 4.168 4.120 0.074 0.000 0.251 221 V C 0.943 176.983 176.094 -0.090 0.000 1.068 221 V CA 0.771 62.874 62.300 -0.329 0.000 1.090 221 V CB -0.479 30.948 31.823 -0.660 0.000 0.710 221 V HN 0.339 nan 8.190 nan 0.000 0.467 222 K N 1.017 121.345 120.400 -0.120 0.000 2.132 222 K HA 0.233 4.597 4.320 0.074 0.000 0.240 222 K C -2.291 174.276 176.600 -0.055 0.000 1.036 222 K CA -1.609 54.629 56.287 -0.082 0.000 0.888 222 K CB -0.380 32.062 32.500 -0.097 0.000 1.071 222 K HN 0.143 nan 8.250 nan 0.000 0.502 223 P HA -0.023 nan 4.420 nan 0.000 0.266 223 P C -0.663 176.586 177.300 -0.085 0.000 1.195 223 P CA 0.420 63.400 63.100 -0.200 0.000 0.768 223 P CB 0.292 31.875 31.700 -0.194 0.000 0.838 224 E N 5.348 125.541 120.200 -0.012 0.000 2.384 224 E HA -0.001 4.394 4.350 0.074 0.000 0.266 224 E C -1.210 175.465 176.600 0.125 0.000 1.012 224 E CA -1.353 55.147 56.400 0.168 0.000 0.901 224 E CB 0.095 30.021 29.700 0.377 0.000 0.967 224 E HN 0.415 nan 8.360 nan 0.000 0.435 225 P HA -0.243 nan 4.420 nan 0.000 0.219 225 P C 1.011 178.378 177.300 0.112 0.000 1.146 225 P CA 1.543 64.683 63.100 0.067 0.000 0.808 225 P CB -0.011 31.708 31.700 0.032 0.000 0.779 226 H N -1.074 118.034 119.070 0.063 0.000 2.307 226 H HA -0.068 4.532 4.556 0.074 0.000 0.303 226 H C 1.617 177.041 175.328 0.160 0.000 1.073 226 H CA 1.427 57.500 56.048 0.041 0.000 1.338 226 H CB -1.414 28.305 29.762 -0.071 0.000 1.389 226 H HN 0.302 nan 8.280 nan 0.000 0.503 227 W N 0.355 121.245 121.300 -0.683 0.000 3.008 227 W HA 0.692 5.396 4.660 0.073 0.000 0.355 227 W C 0.413 176.764 176.519 -0.280 0.000 1.095 227 W CA -1.129 55.977 57.345 -0.398 0.000 1.738 227 W CB -0.798 28.415 29.460 -0.412 0.000 1.091 227 W HN 0.453 nan 8.180 nan 0.000 0.574 228 A N 1.243 124.032 122.820 -0.052 0.000 2.578 228 A HA -0.121 4.243 4.320 0.074 0.000 0.298 228 A C -0.513 176.848 177.584 -0.373 0.000 1.472 228 A CA 1.351 53.288 52.037 -0.165 0.000 0.734 228 A CB -2.399 16.530 19.000 -0.118 0.000 1.091 228 A HN 0.479 nan 8.150 nan 0.000 0.426 229 I N 0.925 121.141 120.570 -0.590 0.000 2.722 229 I HA 0.565 4.780 4.170 0.074 0.000 0.295 229 I C -2.500 173.294 176.117 -0.538 0.000 1.161 229 I CA -2.283 58.554 61.300 -0.772 0.000 1.032 229 I CB 3.092 40.147 38.000 -1.576 0.000 1.244 229 I HN 0.256 nan 8.210 nan 0.000 0.421 230 P HA 0.308 nan 4.420 nan 0.000 0.289 230 P C -1.653 175.479 177.300 -0.280 0.000 1.293 230 P CA -0.867 62.001 63.100 -0.387 0.000 0.897 230 P CB 1.604 33.148 31.700 -0.259 0.000 1.166 231 Q N 0.706 120.388 119.800 -0.198 0.000 2.288 231 Q HA 0.471 4.856 4.340 0.074 0.000 0.258 231 Q C 1.128 177.083 176.000 -0.074 0.000 0.957 231 Q CA 1.029 56.753 55.803 -0.131 0.000 0.919 231 Q CB -0.489 28.183 28.738 -0.109 0.000 1.185 231 Q HN 0.824 nan 8.270 nan 0.000 0.408 232 G N 3.199 111.962 108.800 -0.061 0.000 2.179 232 G HA2 -0.303 3.701 3.960 0.074 0.000 0.257 232 G HA3 -0.303 3.701 3.960 0.074 0.000 0.257 232 G C -0.294 174.603 174.900 -0.005 0.000 1.010 232 G CA 0.637 45.723 45.100 -0.024 0.000 0.736 232 G HN 0.562 nan 8.290 nan 0.000 0.513 233 Q N -1.060 118.729 119.800 -0.019 0.000 2.423 233 Q HA 0.633 5.018 4.340 0.074 0.000 0.278 233 Q C 0.944 176.947 176.000 0.005 0.000 1.097 233 Q CA -0.195 55.623 55.803 0.024 0.000 0.809 233 Q CB 1.837 30.633 28.738 0.096 0.000 1.391 233 Q HN 0.430 nan 8.270 nan 0.000 0.428 234 S N -0.790 114.830 115.700 -0.134 0.000 2.535 234 S HA 0.212 4.726 4.470 0.074 0.000 0.214 234 S C 0.885 175.445 174.600 -0.068 0.000 0.980 234 S CA -0.023 57.867 58.200 -0.516 0.000 0.907 234 S CB 0.391 62.807 63.200 -1.308 0.000 0.790 234 S HN 0.597 nan 8.310 nan 0.000 0.510 235 A N 2.431 125.390 122.820 0.231 0.000 3.026 235 A HA 0.510 4.875 4.320 0.074 0.000 0.272 235 A C 0.107 177.927 177.584 0.394 0.000 1.782 235 A CA -0.448 51.805 52.037 0.360 0.000 1.451 235 A CB -1.389 17.741 19.000 0.216 0.000 1.081 235 A HN 0.912 nan 8.150 nan 0.000 0.611 236 H N -3.400 115.869 119.070 0.333 0.000 3.003 236 H HA 0.472 5.073 4.556 0.074 0.000 0.327 236 H C -0.274 175.248 175.328 0.324 0.000 1.353 236 H CA -0.715 55.485 56.048 0.254 0.000 1.142 236 H CB 0.223 30.093 29.762 0.179 0.000 1.864 236 H HN 0.081 nan 8.280 nan 0.000 0.529 237 D N 0.247 120.814 120.400 0.278 0.000 2.116 237 D HA -0.206 4.478 4.640 0.074 0.000 0.193 237 D C 2.070 178.423 176.300 0.088 0.000 0.998 237 D CA 3.068 57.169 54.000 0.168 0.000 0.836 237 D CB -0.377 40.503 40.800 0.133 0.000 0.951 237 D HN 0.783 nan 8.370 nan 0.000 0.449 238 T N -1.661 112.935 114.554 0.069 0.000 2.833 238 T HA -0.188 4.206 4.350 0.074 0.000 0.269 238 T C 1.884 176.516 174.700 -0.113 0.000 1.054 238 T CA 0.610 62.722 62.100 0.019 0.000 1.135 238 T CB -0.681 68.254 68.868 0.112 0.000 0.869 238 T HN 0.154 nan 8.240 nan 0.000 0.466 239 F N 0.732 120.370 119.950 -0.520 0.000 2.113 239 F HA 0.108 4.679 4.527 0.073 0.000 0.297 239 F C 1.798 177.323 175.800 -0.460 0.000 1.103 239 F CA 0.639 58.271 58.000 -0.613 0.000 1.248 239 F CB -0.511 37.952 39.000 -0.895 0.000 0.999 239 F HN 0.137 nan 8.300 nan 0.000 0.475 240 W N 0.497 121.738 121.300 -0.098 0.000 2.519 240 W HA -0.067 4.639 4.660 0.076 0.000 0.266 240 W C 2.209 178.653 176.519 -0.124 0.000 1.253 240 W CA 0.898 58.174 57.345 -0.116 0.000 1.274 240 W CB -0.499 28.970 29.460 0.014 0.000 1.114 240 W HN 0.065 nan 8.180 nan 0.000 0.596 241 D N -0.663 119.770 120.400 0.055 0.000 2.084 241 D HA -0.277 4.408 4.640 0.074 0.000 0.196 241 D C 1.884 178.178 176.300 -0.011 0.000 0.985 241 D CA 1.431 55.454 54.000 0.038 0.000 0.826 241 D CB -0.557 40.276 40.800 0.056 0.000 0.978 241 D HN 0.174 nan 8.370 nan 0.000 0.456 242 Y N 0.557 120.749 120.300 -0.181 0.000 2.097 242 Y HA -0.244 4.350 4.550 0.074 0.000 0.282 242 Y C 2.314 178.079 175.900 -0.225 0.000 1.152 242 Y CA 1.758 59.739 58.100 -0.199 0.000 1.136 242 Y CB -0.499 37.800 38.460 -0.268 0.000 0.975 242 Y HN -0.113 nan 8.280 nan 0.000 0.498 243 V N 0.193 119.972 119.914 -0.224 0.000 2.324 243 V HA -0.361 3.803 4.120 0.074 0.000 0.250 243 V C 2.579 178.604 176.094 -0.116 0.000 1.060 243 V CA 2.299 64.457 62.300 -0.236 0.000 1.042 243 V CB -1.177 30.397 31.823 -0.414 0.000 0.650 243 V HN 0.689 nan 8.190 nan 0.000 0.450 244 S N -0.462 115.214 115.700 -0.040 0.000 2.428 244 S HA -0.020 4.495 4.470 0.074 0.000 0.230 244 S C 1.716 176.277 174.600 -0.064 0.000 1.014 244 S CA 1.158 59.363 58.200 0.008 0.000 0.957 244 S CB -0.399 62.840 63.200 0.065 0.000 0.784 244 S HN 0.554 nan 8.310 nan 0.000 0.499 245 L N 0.103 121.241 121.223 -0.142 0.000 2.567 245 L HA 0.304 4.689 4.340 0.074 0.000 0.225 245 L C 0.537 177.233 176.870 -0.289 0.000 1.119 245 L CA 0.195 54.926 54.840 -0.182 0.000 0.871 245 L CB 0.003 41.958 42.059 -0.172 0.000 1.036 245 L HN 0.255 nan 8.230 nan 0.000 0.459 246 Q N 0.276 119.856 119.800 -0.367 0.000 3.090 246 Q HA 0.233 4.617 4.340 0.074 0.000 0.241 246 Q C -1.931 173.848 176.000 -0.369 0.000 0.958 246 Q CA -1.488 54.061 55.803 -0.423 0.000 0.715 246 Q CB 1.548 29.930 28.738 -0.593 0.000 1.298 246 Q HN -0.017 nan 8.270 nan 0.000 0.468 247 P HA -0.218 nan 4.420 nan 0.000 0.223 247 P C 0.970 177.958 177.300 -0.519 0.000 1.144 247 P CA 1.106 63.941 63.100 -0.442 0.000 0.783 247 P CB 0.257 31.660 31.700 -0.494 0.000 0.771 248 E N 0.640 120.435 120.200 -0.676 0.000 2.267 248 E HA -0.171 4.224 4.350 0.074 0.000 0.197 248 E C 1.472 178.044 176.600 -0.047 0.000 0.998 248 E CA 1.777 58.052 56.400 -0.208 0.000 0.830 248 E CB -1.218 28.435 29.700 -0.078 0.000 0.751 248 E HN 0.283 nan 8.360 nan 0.000 0.491 249 T N -0.752 113.772 114.554 -0.051 0.000 3.055 249 T HA 0.037 4.432 4.350 0.074 0.000 0.265 249 T C 1.917 176.684 174.700 0.111 0.000 1.111 249 T CA 0.343 62.473 62.100 0.050 0.000 1.118 249 T CB -0.322 68.600 68.868 0.090 0.000 0.909 249 T HN 0.147 nan 8.240 nan 0.000 0.501 250 L N 0.156 121.450 121.223 0.119 0.000 2.127 250 L HA -0.104 4.281 4.340 0.074 0.000 0.211 250 L C 2.849 179.891 176.870 0.287 0.000 1.089 250 L CA 1.859 56.840 54.840 0.236 0.000 0.757 250 L CB -0.819 41.396 42.059 0.260 0.000 0.899 250 L HN 0.482 nan 8.230 nan 0.000 0.434 251 H N -0.001 119.125 119.070 0.092 0.000 2.293 251 H HA -0.197 4.404 4.556 0.074 0.000 0.300 251 H C 2.181 177.521 175.328 0.019 0.000 1.082 251 H CA 1.761 57.861 56.048 0.087 0.000 1.308 251 H CB 0.196 29.973 29.762 0.024 0.000 1.375 251 H HN 0.366 nan 8.280 nan 0.000 0.495 252 N N -0.003 118.532 118.700 -0.275 0.000 2.223 252 N HA -0.131 4.654 4.740 0.074 0.000 0.185 252 N C 1.943 177.276 175.510 -0.295 0.000 1.016 252 N CA 0.803 53.474 53.050 -0.631 0.000 0.863 252 N CB 0.246 37.975 38.487 -1.264 0.000 0.983 252 N HN 0.135 nan 8.380 nan 0.000 0.429 253 V N 1.620 121.575 119.914 0.067 0.000 2.407 253 V HA -0.230 3.935 4.120 0.074 0.000 0.248 253 V C 2.472 178.705 176.094 0.231 0.000 1.055 253 V CA 1.158 63.638 62.300 0.300 0.000 1.049 253 V CB -0.335 31.726 31.823 0.395 0.000 0.662 253 V HN 0.397 nan 8.190 nan 0.000 0.455 254 M N -1.665 118.105 119.600 0.283 0.000 2.108 254 M HA -0.212 4.313 4.480 0.074 0.000 0.261 254 M C 2.069 178.385 176.300 0.027 0.000 1.066 254 M CA 1.865 57.333 55.300 0.281 0.000 1.107 254 M CB -1.210 31.587 32.600 0.328 0.000 1.356 254 M HN 0.470 nan 8.290 nan 0.000 0.406 255 W N 0.435 121.489 121.300 -0.411 0.000 2.388 255 W HA -0.054 4.652 4.660 0.076 0.000 0.294 255 W C 2.775 179.225 176.519 -0.115 0.000 1.212 255 W CA 1.735 58.805 57.345 -0.458 0.000 1.271 255 W CB -0.850 28.258 29.460 -0.587 0.000 1.126 255 W HN 0.278 nan 8.180 nan 0.000 0.535 256 A N -0.671 122.232 122.820 0.138 0.000 1.930 256 A HA -0.176 4.188 4.320 0.074 0.000 0.217 256 A C 1.922 179.563 177.584 0.095 0.000 1.175 256 A CA 1.622 53.742 52.037 0.138 0.000 0.627 256 A CB -0.543 18.570 19.000 0.188 0.000 0.815 256 A HN 0.088 nan 8.150 nan 0.000 0.443 257 M N 0.615 120.231 119.600 0.027 0.000 2.506 257 M HA 0.033 4.557 4.480 0.074 0.000 0.260 257 M C 1.472 177.816 176.300 0.073 0.000 1.104 257 M CA 0.758 56.017 55.300 -0.070 0.000 1.112 257 M CB -1.342 31.000 32.600 -0.431 0.000 1.401 257 M HN 0.543 nan 8.290 nan 0.000 0.473 258 S N 0.227 116.029 115.700 0.169 0.000 2.640 258 S HA 0.100 4.615 4.470 0.074 0.000 0.262 258 S C 0.759 175.489 174.600 0.216 0.000 1.232 258 S CA -0.438 57.900 58.200 0.228 0.000 0.988 258 S CB 0.847 64.227 63.200 0.301 0.000 1.034 258 S HN 0.196 nan 8.310 nan 0.000 0.569 259 D N 0.140 120.685 120.400 0.241 0.000 2.378 259 D HA 0.024 4.709 4.640 0.074 0.000 0.222 259 D C 1.824 178.271 176.300 0.244 0.000 0.980 259 D CA 0.327 54.490 54.000 0.272 0.000 0.907 259 D CB -0.169 40.857 40.800 0.377 0.000 0.899 259 D HN 0.386 nan 8.370 nan 0.000 0.527 260 R N 0.256 120.895 120.500 0.232 0.000 2.152 260 R HA -0.041 4.344 4.340 0.074 0.000 0.232 260 R C 2.009 178.467 176.300 0.264 0.000 1.117 260 R CA 0.879 57.141 56.100 0.270 0.000 0.981 260 R CB -0.663 29.862 30.300 0.376 0.000 0.870 260 R HN 0.160 nan 8.270 nan 0.000 0.451 261 G N 1.278 110.219 108.800 0.236 0.000 2.848 261 G HA2 0.024 4.029 3.960 0.074 0.000 0.208 261 G HA3 0.024 4.029 3.960 0.074 0.000 0.208 261 G C 0.936 175.980 174.900 0.239 0.000 1.152 261 G CA 0.004 45.236 45.100 0.220 0.000 0.789 261 G HN 0.394 nan 8.290 nan 0.000 0.531 262 I N -2.141 118.580 120.570 0.252 0.000 2.867 262 I HA 0.351 4.566 4.170 0.074 0.000 0.282 262 I C -2.893 173.381 176.117 0.262 0.000 1.437 262 I CA -2.592 58.865 61.300 0.262 0.000 0.918 262 I CB 1.915 40.067 38.000 0.254 0.000 1.612 262 I HN -0.258 nan 8.210 nan 0.000 0.592 263 P HA 0.083 nan 4.420 nan 0.000 0.271 263 P C 0.431 177.876 177.300 0.242 0.000 1.218 263 P CA -0.165 63.049 63.100 0.190 0.000 0.780 263 P CB 1.480 33.232 31.700 0.087 0.000 0.901 264 R N 1.946 122.574 120.500 0.214 0.000 2.115 264 R HA 0.040 4.424 4.340 0.074 0.000 0.226 264 R C 0.527 176.991 176.300 0.273 0.000 1.100 264 R CA 1.330 57.605 56.100 0.291 0.000 0.980 264 R CB -0.382 30.071 30.300 0.255 0.000 0.875 264 R HN 0.572 nan 8.270 nan 0.000 0.445 265 S N -2.760 112.913 115.700 -0.045 0.000 2.567 265 S HA 0.216 4.731 4.470 0.074 0.000 0.270 265 S C -0.327 173.982 174.600 -0.486 0.000 1.152 265 S CA -0.882 57.130 58.200 -0.313 0.000 0.835 265 S CB 0.138 63.274 63.200 -0.107 0.000 1.115 265 S HN 0.089 nan 8.310 nan 0.000 0.459 266 Y N 1.905 121.850 120.300 -0.592 0.000 2.403 266 Y HA 0.092 4.688 4.550 0.075 0.000 0.291 266 Y C 2.365 177.909 175.900 -0.592 0.000 1.143 266 Y CA 1.057 58.664 58.100 -0.821 0.000 1.257 266 Y CB -0.363 37.240 38.460 -1.428 0.000 0.984 266 Y HN 0.570 nan 8.280 nan 0.000 0.550 267 R N -0.591 119.791 120.500 -0.196 0.000 2.235 267 R HA -0.030 4.354 4.340 0.074 0.000 0.213 267 R C 1.008 177.274 176.300 -0.055 0.000 1.059 267 R CA 1.466 57.506 56.100 -0.102 0.000 0.997 267 R CB -0.298 29.933 30.300 -0.115 0.000 0.884 267 R HN 0.296 nan 8.270 nan 0.000 0.462 268 T N -1.616 112.916 114.554 -0.037 0.000 3.316 268 T HA 0.384 4.779 4.350 0.074 0.000 0.253 268 T C 0.072 174.811 174.700 0.065 0.000 0.995 268 T CA -0.701 61.406 62.100 0.011 0.000 1.031 268 T CB -0.091 68.770 68.868 -0.013 0.000 1.125 268 T HN 0.078 nan 8.240 nan 0.000 0.539 269 M N -1.074 118.604 119.600 0.129 0.000 2.593 269 M HA 0.741 5.265 4.480 0.074 0.000 0.290 269 M C -1.313 175.158 176.300 0.285 0.000 1.244 269 M CA -0.850 54.564 55.300 0.191 0.000 0.857 269 M CB 2.239 34.940 32.600 0.169 0.000 1.738 269 M HN -0.092 nan 8.290 nan 0.000 0.461 270 E N 0.366 120.726 120.200 0.267 0.000 2.312 270 E HA 0.731 5.126 4.350 0.074 0.000 0.259 270 E C -0.324 176.354 176.600 0.130 0.000 1.122 270 E CA -0.796 55.692 56.400 0.146 0.000 0.922 270 E CB 1.676 31.344 29.700 -0.053 0.000 1.109 270 E HN 0.863 nan 8.360 nan 0.000 0.442 271 G N 0.396 109.096 108.800 -0.166 0.000 2.612 271 G HA2 0.644 4.649 3.960 0.074 0.000 0.298 271 G HA3 0.644 4.649 3.960 0.074 0.000 0.298 271 G C -1.570 173.025 174.900 -0.508 0.000 1.336 271 G CA -0.490 44.523 45.100 -0.144 0.000 0.953 271 G HN 0.285 nan 8.290 nan 0.000 0.482 272 F N -0.510 119.380 119.950 -0.099 0.000 2.628 272 F HA 0.488 5.059 4.527 0.073 0.000 0.309 272 F C 0.999 176.717 175.800 -0.136 0.000 1.108 272 F CA -0.452 57.421 58.000 -0.211 0.000 0.971 272 F CB 2.424 41.243 39.000 -0.303 0.000 1.279 272 F HN 0.641 nan 8.300 nan 0.000 0.441 273 G N 0.981 109.855 108.800 0.123 0.000 2.712 273 G HA2 0.152 4.157 3.960 0.074 0.000 0.212 273 G HA3 0.152 4.157 3.960 0.074 0.000 0.212 273 G C 1.212 176.156 174.900 0.073 0.000 1.142 273 G CA 0.827 46.041 45.100 0.189 0.000 0.789 273 G HN 0.796 nan 8.290 nan 0.000 0.535 274 I N -0.954 119.590 120.570 -0.043 0.000 4.608 274 I HA -0.334 3.881 4.170 0.074 0.000 0.051 274 I C 0.585 176.576 176.117 -0.209 0.000 0.619 274 I CA 1.578 62.736 61.300 -0.236 0.000 0.844 274 I CB -1.298 36.464 38.000 -0.397 0.000 0.772 274 I HN 0.278 nan 8.210 nan 0.000 0.161 275 H N 2.310 121.397 119.070 0.029 0.000 2.771 275 H HA 0.203 4.805 4.556 0.076 0.000 0.364 275 H C 0.168 175.435 175.328 -0.101 0.000 1.133 275 H CA 0.578 56.551 56.048 -0.124 0.000 1.423 275 H CB 0.166 29.692 29.762 -0.393 0.000 1.425 275 H HN 0.201 nan 8.280 nan 0.000 0.606 276 T N 3.893 118.418 114.554 -0.049 0.000 2.779 276 T HA 0.229 4.624 4.350 0.074 0.000 0.296 276 T C 0.335 174.977 174.700 -0.096 0.000 0.938 276 T CA 0.043 62.104 62.100 -0.066 0.000 1.119 276 T CB -0.204 68.569 68.868 -0.160 0.000 0.891 276 T HN 0.254 nan 8.240 nan 0.000 0.526 277 F N 1.338 121.261 119.950 -0.046 0.000 2.656 277 F HA 0.670 5.241 4.527 0.072 0.000 0.394 277 F C 1.086 176.861 175.800 -0.042 0.000 1.168 277 F CA -1.357 56.650 58.000 0.011 0.000 1.135 277 F CB 1.291 40.305 39.000 0.022 0.000 1.480 277 F HN 0.180 nan 8.300 nan 0.000 0.500 278 R N 0.324 120.903 120.500 0.130 0.000 2.807 278 R HA 0.665 5.050 4.340 0.074 0.000 0.276 278 R C -1.712 174.479 176.300 -0.181 0.000 0.979 278 R CA -0.902 55.137 56.100 -0.102 0.000 0.928 278 R CB 2.090 32.270 30.300 -0.201 0.000 1.191 278 R HN 0.421 nan 8.270 nan 0.000 0.471 279 L N 3.397 124.456 121.223 -0.272 0.000 2.322 279 L HA 0.549 4.933 4.340 0.074 0.000 0.281 279 L C -0.683 176.026 176.870 -0.270 0.000 1.014 279 L CA -0.937 53.746 54.840 -0.262 0.000 0.815 279 L CB 1.603 43.501 42.059 -0.268 0.000 1.247 279 L HN 0.372 nan 8.230 nan 0.000 0.421 280 I N 2.994 123.427 120.570 -0.227 0.000 2.418 280 I HA 0.271 4.485 4.170 0.074 0.000 0.287 280 I C -0.221 175.801 176.117 -0.158 0.000 1.008 280 I CA -0.698 60.469 61.300 -0.221 0.000 1.104 280 I CB 1.408 39.285 38.000 -0.204 0.000 1.264 280 I HN 0.620 nan 8.210 nan 0.000 0.438 281 N N 4.952 123.572 118.700 -0.133 0.000 2.476 281 N HA 0.368 5.152 4.740 0.074 0.000 0.287 281 N C 0.860 176.324 175.510 -0.077 0.000 1.262 281 N CA -0.392 52.601 53.050 -0.095 0.000 0.980 281 N CB 0.539 38.979 38.487 -0.078 0.000 1.163 281 N HN 0.520 nan 8.380 nan 0.000 0.592 282 A N -0.770 122.016 122.820 -0.058 0.000 2.067 282 A HA -0.090 4.275 4.320 0.074 0.000 0.219 282 A C 1.575 179.136 177.584 -0.039 0.000 1.158 282 A CA 1.204 53.214 52.037 -0.046 0.000 0.661 282 A CB -0.757 18.223 19.000 -0.034 0.000 0.801 282 A HN 0.754 nan 8.150 nan 0.000 0.452 283 E N -1.568 118.609 120.200 -0.038 0.000 2.435 283 E HA 0.263 4.658 4.350 0.074 0.000 0.195 283 E C 1.237 177.822 176.600 -0.024 0.000 1.029 283 E CA 0.836 57.219 56.400 -0.029 0.000 0.865 283 E CB 0.017 29.702 29.700 -0.026 0.000 0.833 283 E HN 0.726 nan 8.360 nan 0.000 0.510 284 G N 1.118 109.898 108.800 -0.034 0.000 2.159 284 G HA2 -0.319 3.685 3.960 0.074 0.000 0.227 284 G HA3 -0.319 3.685 3.960 0.074 0.000 0.227 284 G C 0.212 175.108 174.900 -0.007 0.000 0.986 284 G CA 0.160 45.255 45.100 -0.008 0.000 0.651 284 G HN 0.248 nan 8.290 nan 0.000 0.523 285 K N 0.790 121.153 120.400 -0.062 0.000 2.298 285 K HA 0.669 5.034 4.320 0.074 0.000 0.280 285 K C 0.523 176.977 176.600 -0.243 0.000 1.032 285 K CA 0.208 56.431 56.287 -0.106 0.000 0.958 285 K CB 0.653 33.097 32.500 -0.092 0.000 0.978 285 K HN 0.631 nan 8.250 nan 0.000 0.472 286 A N 3.390 125.961 122.820 -0.414 0.000 2.292 286 A HA 0.408 4.772 4.320 0.074 0.000 0.319 286 A C -0.820 176.439 177.584 -0.541 0.000 1.206 286 A CA -0.560 51.077 52.037 -0.668 0.000 0.835 286 A CB 1.079 19.263 19.000 -1.361 0.000 1.164 286 A HN 0.736 nan 8.150 nan 0.000 0.505 287 T N 2.512 116.788 114.554 -0.463 0.000 2.824 287 T HA 0.536 4.930 4.350 0.074 0.000 0.282 287 T C -0.614 173.859 174.700 -0.378 0.000 0.993 287 T CA -0.099 61.781 62.100 -0.367 0.000 0.967 287 T CB 0.452 69.195 68.868 -0.208 0.000 0.960 287 T HN 0.337 nan 8.240 nan 0.000 0.441 288 F N 2.127 121.981 119.950 -0.160 0.000 2.429 288 F HA 0.519 5.090 4.527 0.073 0.000 0.348 288 F C 0.538 176.216 175.800 -0.204 0.000 1.109 288 F CA -0.470 57.432 58.000 -0.164 0.000 1.232 288 F CB 0.717 39.645 39.000 -0.121 0.000 1.157 288 F HN 0.190 nan 8.300 nan 0.000 0.564 289 V N 4.932 124.805 119.914 -0.068 0.000 2.808 289 V HA 0.589 4.754 4.120 0.074 0.000 0.308 289 V C -0.990 174.880 176.094 -0.372 0.000 1.099 289 V CA -0.767 61.334 62.300 -0.330 0.000 0.920 289 V CB 2.084 33.486 31.823 -0.703 0.000 1.014 289 V HN 0.761 nan 8.190 nan 0.000 0.425 290 R N 4.937 125.269 120.500 -0.280 0.000 2.494 290 R HA 0.549 4.934 4.340 0.074 0.000 0.305 290 R C -1.626 174.629 176.300 -0.075 0.000 0.959 290 R CA -0.441 55.557 56.100 -0.170 0.000 0.864 290 R CB 1.946 32.261 30.300 0.025 0.000 1.159 290 R HN 0.588 nan 8.270 nan 0.000 0.446 291 F N 2.446 122.469 119.950 0.123 0.000 2.394 291 F HA 0.356 4.927 4.527 0.073 0.000 0.340 291 F C 0.983 176.770 175.800 -0.022 0.000 1.105 291 F CA -0.099 57.948 58.000 0.077 0.000 1.124 291 F CB 0.870 39.800 39.000 -0.116 0.000 1.145 291 F HN 0.226 nan 8.300 nan 0.000 0.505 292 H N 0.994 120.071 119.070 0.011 0.000 2.768 292 H HA 0.268 4.869 4.556 0.075 0.000 0.371 292 H C -1.520 173.587 175.328 -0.369 0.000 1.151 292 H CA -1.029 54.920 56.048 -0.165 0.000 1.165 292 H CB 1.986 31.732 29.762 -0.027 0.000 1.722 292 H HN 0.654 nan 8.280 nan 0.000 0.543 293 W N 2.054 123.254 121.300 -0.167 0.000 2.587 293 W HA 0.336 5.039 4.660 0.073 0.000 0.324 293 W C -0.076 176.469 176.519 0.044 0.000 1.040 293 W CA -0.761 56.537 57.345 -0.079 0.000 1.222 293 W CB 1.757 31.023 29.460 -0.323 0.000 1.381 293 W HN 0.254 nan 8.180 nan 0.000 0.483 294 K N 5.428 126.091 120.400 0.439 0.000 2.265 294 K HA 0.379 4.743 4.320 0.074 0.000 0.267 294 K C -2.421 174.403 176.600 0.373 0.000 0.994 294 K CA -1.954 54.529 56.287 0.326 0.000 0.860 294 K CB 1.454 34.096 32.500 0.236 0.000 1.099 294 K HN 0.043 nan 8.250 nan 0.000 0.448 295 P HA 0.038 nan 4.420 nan 0.000 0.270 295 P C 0.291 177.601 177.300 0.016 0.000 1.242 295 P CA 0.018 63.194 63.100 0.127 0.000 0.768 295 P CB 0.586 32.371 31.700 0.142 0.000 0.820 296 L N 2.566 123.743 121.223 -0.078 0.000 2.551 296 L HA -0.019 4.366 4.340 0.074 0.000 0.228 296 L C 2.094 178.942 176.870 -0.036 0.000 1.153 296 L CA 0.805 55.634 54.840 -0.019 0.000 0.851 296 L CB -0.575 41.482 42.059 -0.003 0.000 0.959 296 L HN 0.317 nan 8.230 nan 0.000 0.451 297 A N 0.226 123.000 122.820 -0.077 0.000 2.259 297 A HA 0.434 4.799 4.320 0.074 0.000 0.208 297 A C 1.299 178.878 177.584 -0.008 0.000 1.201 297 A CA 0.576 52.585 52.037 -0.046 0.000 0.824 297 A CB -0.527 18.430 19.000 -0.073 0.000 0.838 297 A HN 0.443 nan 8.150 nan 0.000 0.485 298 G N -0.442 108.368 108.800 0.017 0.000 2.829 298 G HA2 -0.173 3.832 3.960 0.074 0.000 0.628 298 G HA3 -0.173 3.832 3.960 0.074 0.000 0.628 298 G C -0.554 174.372 174.900 0.044 0.000 1.412 298 G CA -0.323 44.805 45.100 0.046 0.000 0.864 298 G HN 0.514 nan 8.290 nan 0.000 0.544 299 K N 0.141 120.573 120.400 0.053 0.000 2.156 299 K HA 0.730 5.094 4.320 0.074 0.000 0.271 299 K C 0.257 176.849 176.600 -0.012 0.000 0.995 299 K CA 0.203 56.508 56.287 0.030 0.000 0.890 299 K CB 1.774 34.285 32.500 0.019 0.000 1.073 299 K HN 1.478 nan 8.250 nan 0.000 0.454 300 A N 1.593 124.397 122.820 -0.027 0.000 2.577 300 A HA 0.614 4.979 4.320 0.074 0.000 0.297 300 A C -1.198 176.452 177.584 0.109 0.000 1.060 300 A CA -0.692 51.291 52.037 -0.090 0.000 0.697 300 A CB 1.711 20.380 19.000 -0.551 0.000 1.281 300 A HN 0.517 nan 8.150 nan 0.000 0.402 301 S N 0.276 116.216 115.700 0.399 0.000 2.661 301 S HA 0.752 5.267 4.470 0.074 0.000 0.285 301 S C -0.133 174.775 174.600 0.512 0.000 1.138 301 S CA -0.650 57.789 58.200 0.399 0.000 0.855 301 S CB 1.189 64.603 63.200 0.357 0.000 1.136 301 S HN 0.666 nan 8.310 nan 0.000 0.484 302 L N 1.268 122.686 121.223 0.325 0.000 2.505 302 L HA 0.528 4.912 4.340 0.074 0.000 0.226 302 L C 0.116 177.092 176.870 0.176 0.000 1.211 302 L CA -0.748 54.203 54.840 0.185 0.000 0.828 302 L CB 0.105 42.189 42.059 0.041 0.000 1.331 302 L HN 0.511 nan 8.230 nan 0.000 0.513 303 V N -3.066 116.849 119.914 0.003 0.000 2.850 303 V HA 0.176 4.341 4.120 0.074 0.000 0.315 303 V C 0.713 176.757 176.094 -0.084 0.000 1.064 303 V CA -0.789 61.490 62.300 -0.035 0.000 0.979 303 V CB 1.609 33.383 31.823 -0.082 0.000 1.039 303 V HN 0.935 nan 8.190 nan 0.000 0.452 304 W N 2.019 123.189 121.300 -0.217 0.000 2.317 304 W HA -0.254 4.450 4.660 0.074 0.000 0.318 304 W C 1.809 178.170 176.519 -0.264 0.000 1.227 304 W CA 2.681 59.894 57.345 -0.220 0.000 1.269 304 W CB -0.135 29.188 29.460 -0.228 0.000 1.155 304 W HN 1.016 nan 8.180 nan 0.000 0.484 305 D N 0.147 120.262 120.400 -0.475 0.000 2.123 305 D HA -0.300 4.384 4.640 0.074 0.000 0.196 305 D C 2.175 178.093 176.300 -0.635 0.000 0.992 305 D CA 2.210 55.874 54.000 -0.560 0.000 0.833 305 D CB -0.540 40.195 40.800 -0.109 0.000 0.954 305 D HN 0.395 nan 8.370 nan 0.000 0.455 306 E N -0.269 119.397 120.200 -0.889 0.000 2.051 306 E HA -0.232 4.162 4.350 0.074 0.000 0.192 306 E C 2.001 178.249 176.600 -0.587 0.000 0.991 306 E CA 1.190 57.027 56.400 -0.939 0.000 0.799 306 E CB -0.251 28.757 29.700 -1.153 0.000 0.748 306 E HN 0.322 nan 8.360 nan 0.000 0.449 307 A N 1.052 123.549 122.820 -0.539 0.000 1.902 307 A HA -0.238 4.127 4.320 0.074 0.000 0.217 307 A C 2.184 179.439 177.584 -0.549 0.000 1.181 307 A CA 1.716 53.492 52.037 -0.434 0.000 0.623 307 A CB -0.619 18.243 19.000 -0.230 0.000 0.818 307 A HN 0.446 nan 8.150 nan 0.000 0.443 308 Q N -0.566 118.689 119.800 -0.910 0.000 2.083 308 Q HA -0.142 4.242 4.340 0.074 0.000 0.198 308 Q C 2.149 177.860 176.000 -0.481 0.000 0.969 308 Q CA 1.560 56.852 55.803 -0.852 0.000 0.838 308 Q CB -0.131 27.772 28.738 -1.392 0.000 0.900 308 Q HN 0.650 nan 8.270 nan 0.000 0.436 309 K N 0.081 120.217 120.400 -0.439 0.000 2.097 309 K HA -0.161 4.204 4.320 0.074 0.000 0.206 309 K C 2.018 178.473 176.600 -0.243 0.000 1.049 309 K CA 0.751 56.878 56.287 -0.267 0.000 0.933 309 K CB -0.025 32.367 32.500 -0.180 0.000 0.717 309 K HN 0.161 nan 8.250 nan 0.000 0.442 310 L N 1.222 122.259 121.223 -0.309 0.000 2.201 310 L HA -0.138 4.247 4.340 0.074 0.000 0.212 310 L C 2.265 178.997 176.870 -0.230 0.000 1.105 310 L CA 2.027 56.680 54.840 -0.311 0.000 0.775 310 L CB -0.914 40.866 42.059 -0.466 0.000 0.913 310 L HN 0.336 nan 8.230 nan 0.000 0.440 311 T N -4.655 109.771 114.554 -0.214 0.000 2.881 311 T HA -0.063 4.331 4.350 0.074 0.000 0.270 311 T C 1.828 176.464 174.700 -0.105 0.000 1.068 311 T CA 1.000 63.016 62.100 -0.140 0.000 1.131 311 T CB -0.798 67.999 68.868 -0.119 0.000 0.871 311 T HN 0.356 nan 8.240 nan 0.000 0.479 312 G N 1.165 109.895 108.800 -0.117 0.000 2.486 312 G HA2 0.022 4.027 3.960 0.074 0.000 0.210 312 G HA3 0.022 4.027 3.960 0.074 0.000 0.210 312 G C 1.880 176.736 174.900 -0.075 0.000 1.168 312 G CA -0.290 44.759 45.100 -0.085 0.000 0.820 312 G HN 0.282 nan 8.290 nan 0.000 0.544 313 R N 0.474 120.920 120.500 -0.089 0.000 2.092 313 R HA 0.018 4.402 4.340 0.074 0.000 0.231 313 R C -0.090 176.183 176.300 -0.045 0.000 1.119 313 R CA 0.950 57.011 56.100 -0.065 0.000 0.970 313 R CB -0.391 29.864 30.300 -0.074 0.000 0.864 313 R HN 0.359 nan 8.270 nan 0.000 0.440 314 D N -0.398 119.970 120.400 -0.054 0.000 2.381 314 D HA 0.151 4.835 4.640 0.074 0.000 0.245 314 D C -2.068 174.233 176.300 0.001 0.000 1.297 314 D CA -1.929 52.073 54.000 0.002 0.000 0.931 314 D CB 1.387 42.238 40.800 0.085 0.000 1.334 314 D HN -0.141 nan 8.370 nan 0.000 0.535 315 P HA -0.022 nan 4.420 nan 0.000 0.225 315 P C -0.034 177.269 177.300 0.005 0.000 1.148 315 P CA 0.767 63.855 63.100 -0.020 0.000 0.779 315 P CB 0.496 32.181 31.700 -0.025 0.000 0.780 316 D N -1.504 118.909 120.400 0.022 0.000 2.463 316 D HA 0.077 4.762 4.640 0.074 0.000 0.224 316 D C 1.184 177.508 176.300 0.040 0.000 1.174 316 D CA -0.501 53.514 54.000 0.025 0.000 0.829 316 D CB -0.484 40.308 40.800 -0.013 0.000 0.993 316 D HN 0.102 nan 8.370 nan 0.000 0.497 317 F N 1.420 121.306 119.950 -0.106 0.000 2.120 317 F HA -0.265 4.307 4.527 0.074 0.000 0.300 317 F C 2.015 177.769 175.800 -0.077 0.000 1.095 317 F CA 1.925 59.853 58.000 -0.120 0.000 1.249 317 F CB 0.063 38.938 39.000 -0.210 0.000 0.995 317 F HN 0.108 nan 8.300 nan 0.000 0.480 318 H N -1.394 117.580 119.070 -0.159 0.000 2.403 318 H HA -0.039 4.561 4.556 0.074 0.000 0.298 318 H C 2.379 177.573 175.328 -0.223 0.000 1.059 318 H CA 0.791 56.600 56.048 -0.399 0.000 1.363 318 H CB -0.078 29.267 29.762 -0.695 0.000 1.410 318 H HN 0.151 nan 8.280 nan 0.000 0.528 319 R N 1.181 121.748 120.500 0.113 0.000 2.083 319 R HA -0.141 4.244 4.340 0.074 0.000 0.237 319 R C 2.433 178.819 176.300 0.144 0.000 1.137 319 R CA 1.445 57.670 56.100 0.208 0.000 0.951 319 R CB -0.026 30.382 30.300 0.180 0.000 0.851 319 R HN 0.184 nan 8.270 nan 0.000 0.434 320 R N 0.224 120.730 120.500 0.009 0.000 2.073 320 R HA -0.143 4.242 4.340 0.074 0.000 0.234 320 R C 2.194 178.483 176.300 -0.018 0.000 1.134 320 R CA 1.636 57.728 56.100 -0.014 0.000 0.952 320 R CB -0.217 30.030 30.300 -0.088 0.000 0.850 320 R HN 0.250 nan 8.270 nan 0.000 0.433 321 E N 0.761 120.841 120.200 -0.199 0.000 2.110 321 E HA -0.203 4.192 4.350 0.074 0.000 0.193 321 E C 1.993 178.560 176.600 -0.055 0.000 0.988 321 E CA 1.075 57.338 56.400 -0.228 0.000 0.804 321 E CB -0.087 29.294 29.700 -0.531 0.000 0.745 321 E HN 0.267 nan 8.360 nan 0.000 0.458 322 L N 0.717 121.952 121.223 0.018 0.000 2.005 322 L HA -0.140 4.244 4.340 0.074 0.000 0.207 322 L C 2.305 179.277 176.870 0.170 0.000 1.072 322 L CA 1.884 56.789 54.840 0.109 0.000 0.744 322 L CB -0.959 41.232 42.059 0.219 0.000 0.895 322 L HN 0.286 nan 8.230 nan 0.000 0.433 323 W N 1.006 122.340 121.300 0.058 0.000 2.335 323 W HA -0.227 4.477 4.660 0.073 0.000 0.311 323 W C 2.238 178.783 176.519 0.044 0.000 1.213 323 W CA 2.285 59.675 57.345 0.074 0.000 1.274 323 W CB -0.186 29.320 29.460 0.077 0.000 1.148 323 W HN 0.372 nan 8.180 nan 0.000 0.498 324 E N -0.114 120.252 120.200 0.278 0.000 2.106 324 E HA -0.143 4.251 4.350 0.074 0.000 0.192 324 E C 2.357 178.981 176.600 0.039 0.000 0.984 324 E CA 1.151 57.636 56.400 0.142 0.000 0.806 324 E CB -0.353 29.382 29.700 0.059 0.000 0.750 324 E HN 0.195 nan 8.360 nan 0.000 0.458 325 A N 1.236 124.076 122.820 0.034 0.000 1.898 325 A HA -0.157 4.208 4.320 0.074 0.000 0.216 325 A C 2.144 179.739 177.584 0.018 0.000 1.181 325 A CA 0.976 53.023 52.037 0.017 0.000 0.620 325 A CB -0.491 18.523 19.000 0.023 0.000 0.819 325 A HN 0.131 nan 8.150 nan 0.000 0.442 326 I N -0.435 120.167 120.570 0.054 0.000 2.315 326 I HA -0.219 3.995 4.170 0.074 0.000 0.248 326 I C 2.355 178.524 176.117 0.087 0.000 1.117 326 I CA 1.332 62.707 61.300 0.125 0.000 1.404 326 I CB -0.479 37.540 38.000 0.033 0.000 1.071 326 I HN 0.429 nan 8.210 nan 0.000 0.419 327 E N 0.972 121.179 120.200 0.011 0.000 2.204 327 E HA -0.159 4.236 4.350 0.074 0.000 0.194 327 E C 2.081 178.686 176.600 0.008 0.000 0.989 327 E CA 1.141 57.560 56.400 0.033 0.000 0.824 327 E CB -0.054 29.697 29.700 0.085 0.000 0.756 327 E HN 0.486 nan 8.360 nan 0.000 0.477 328 A N 0.078 122.875 122.820 -0.038 0.000 2.218 328 A HA 0.246 4.611 4.320 0.074 0.000 0.209 328 A C 1.770 179.270 177.584 -0.141 0.000 1.168 328 A CA 0.895 52.890 52.037 -0.070 0.000 0.804 328 A CB -0.065 18.880 19.000 -0.092 0.000 0.834 328 A HN 0.330 nan 8.150 nan 0.000 0.482 329 G N -0.396 108.216 108.800 -0.313 0.000 2.175 329 G HA2 -0.205 3.800 3.960 0.074 0.000 0.244 329 G HA3 -0.205 3.800 3.960 0.074 0.000 0.244 329 G C -0.170 174.203 174.900 -0.878 0.000 0.982 329 G CA 0.229 44.851 45.100 -0.796 0.000 0.641 329 G HN 0.469 nan 8.290 nan 0.000 0.527 330 D N 1.163 121.318 120.400 -0.407 0.000 2.845 330 D HA 0.291 4.976 4.640 0.074 0.000 0.235 330 D C 0.615 176.840 176.300 -0.126 0.000 1.158 330 D CA -0.195 53.672 54.000 -0.221 0.000 0.990 330 D CB -0.758 40.018 40.800 -0.040 0.000 1.094 330 D HN 0.416 nan 8.370 nan 0.000 0.486 331 F N 1.702 121.655 119.950 0.004 0.000 2.590 331 F HA 0.081 4.653 4.527 0.075 0.000 0.389 331 F C -1.357 174.414 175.800 -0.049 0.000 1.049 331 F CA -1.936 56.058 58.000 -0.010 0.000 1.199 331 F CB -0.075 38.929 39.000 0.006 0.000 1.058 331 F HN -0.079 nan 8.300 nan 0.000 0.556 332 P HA -0.008 nan 4.420 nan 0.000 0.261 332 P C -1.041 176.198 177.300 -0.103 0.000 1.183 332 P CA 0.402 63.483 63.100 -0.033 0.000 0.761 332 P CB 0.400 32.164 31.700 0.106 0.000 0.785 333 E N 2.480 122.474 120.200 -0.344 0.000 2.248 333 E HA 0.487 4.881 4.350 0.074 0.000 0.267 333 E C -1.062 175.224 176.600 -0.524 0.000 0.877 333 E CA -0.581 55.664 56.400 -0.258 0.000 0.759 333 E CB 1.568 31.224 29.700 -0.074 0.000 1.182 333 E HN 0.372 nan 8.360 nan 0.000 0.418 334 Y N 0.303 120.673 120.300 0.117 0.000 2.492 334 Y HA 0.256 4.852 4.550 0.076 0.000 0.346 334 Y C -0.292 175.833 175.900 0.374 0.000 0.997 334 Y CA -1.014 57.224 58.100 0.231 0.000 1.025 334 Y CB 2.105 40.672 38.460 0.180 0.000 1.263 334 Y HN 0.489 nan 8.280 nan 0.000 0.454 335 E N 2.990 123.512 120.200 0.536 0.000 2.109 335 E HA 0.383 4.778 4.350 0.074 0.000 0.278 335 E C -1.456 175.420 176.600 0.459 0.000 0.954 335 E CA -0.959 55.711 56.400 0.450 0.000 0.779 335 E CB 0.970 30.875 29.700 0.342 0.000 1.093 335 E HN 0.617 nan 8.360 nan 0.000 0.401 336 L N 4.514 125.939 121.223 0.337 0.000 2.410 336 L HA 0.482 4.867 4.340 0.074 0.000 0.273 336 L C -0.071 176.731 176.870 -0.113 0.000 1.152 336 L CA 0.696 55.457 54.840 -0.131 0.000 0.855 336 L CB 0.916 42.814 42.059 -0.268 0.000 1.129 336 L HN 0.581 nan 8.230 nan 0.000 0.463 337 G N 4.427 113.162 108.800 -0.108 0.000 2.612 337 G HA2 0.586 4.590 3.960 0.074 0.000 0.298 337 G HA3 0.586 4.590 3.960 0.074 0.000 0.298 337 G C -1.643 173.346 174.900 0.149 0.000 1.336 337 G CA -0.543 44.524 45.100 -0.056 0.000 0.953 337 G HN 0.478 nan 8.290 nan 0.000 0.482 338 F N -0.094 119.859 119.950 0.005 0.000 2.520 338 F HA 0.427 4.998 4.527 0.075 0.000 0.322 338 F C 0.276 176.053 175.800 -0.038 0.000 1.103 338 F CA -0.965 57.035 58.000 0.000 0.000 0.926 338 F CB 2.762 41.753 39.000 -0.015 0.000 1.154 338 F HN 0.129 nan 8.300 nan 0.000 0.453 339 Q N 3.965 123.867 119.800 0.169 0.000 2.340 339 Q HA 0.501 4.886 4.340 0.074 0.000 0.259 339 Q C -1.160 174.871 176.000 0.052 0.000 0.964 339 Q CA -0.494 55.360 55.803 0.086 0.000 0.900 339 Q CB 2.048 30.850 28.738 0.106 0.000 1.228 339 Q HN 0.531 nan 8.270 nan 0.000 0.449 340 L N 4.708 125.972 121.223 0.068 0.000 2.313 340 L HA 0.592 4.977 4.340 0.074 0.000 0.283 340 L C -0.606 176.312 176.870 0.080 0.000 1.013 340 L CA -0.548 54.319 54.840 0.046 0.000 0.816 340 L CB 1.266 43.361 42.059 0.060 0.000 1.236 340 L HN 0.502 nan 8.230 nan 0.000 0.419 341 I N 4.429 125.063 120.570 0.106 0.000 2.447 341 I HA 0.354 4.569 4.170 0.074 0.000 0.287 341 I C -2.344 173.883 176.117 0.185 0.000 1.023 341 I CA -2.134 59.274 61.300 0.179 0.000 1.083 341 I CB 2.343 40.475 38.000 0.219 0.000 1.245 341 I HN 0.266 nan 8.210 nan 0.000 0.434 342 P HA 0.026 nan 4.420 nan 0.000 0.268 342 P C 0.656 178.028 177.300 0.121 0.000 1.205 342 P CA 0.038 63.176 63.100 0.063 0.000 0.771 342 P CB 0.888 32.619 31.700 0.051 0.000 0.858 343 E N 2.717 122.897 120.200 -0.034 0.000 2.130 343 E HA -0.264 4.130 4.350 0.074 0.000 0.196 343 E C 1.380 178.086 176.600 0.177 0.000 0.998 343 E CA 1.188 57.573 56.400 -0.024 0.000 0.806 343 E CB 0.041 29.617 29.700 -0.206 0.000 0.738 343 E HN 0.489 nan 8.360 nan 0.000 0.459 344 E N 0.320 120.590 120.200 0.116 0.000 2.418 344 E HA -0.172 4.223 4.350 0.074 0.000 0.197 344 E C 0.338 177.023 176.600 0.143 0.000 1.026 344 E CA 0.823 57.300 56.400 0.129 0.000 0.862 344 E CB -0.026 29.721 29.700 0.077 0.000 0.799 344 E HN 0.270 nan 8.360 nan 0.000 0.518 345 D N 1.373 121.864 120.400 0.153 0.000 2.358 345 D HA 0.003 4.687 4.640 0.074 0.000 0.224 345 D C 1.304 177.686 176.300 0.137 0.000 1.123 345 D CA 0.022 54.090 54.000 0.113 0.000 0.833 345 D CB 0.175 41.029 40.800 0.089 0.000 0.946 345 D HN 0.428 nan 8.370 nan 0.000 0.505 346 E N -0.013 120.267 120.200 0.134 0.000 2.086 346 E HA -0.217 4.178 4.350 0.074 0.000 0.200 346 E C 0.465 176.863 176.600 -0.336 0.000 1.012 346 E CA 1.208 57.501 56.400 -0.178 0.000 0.812 346 E CB 0.002 29.520 29.700 -0.303 0.000 0.743 346 E HN 0.249 nan 8.360 nan 0.000 0.453 347 F N -0.228 119.730 119.950 0.014 0.000 2.639 347 F HA 0.264 4.836 4.527 0.074 0.000 0.300 347 F C 1.302 177.052 175.800 -0.083 0.000 1.109 347 F CA -0.116 57.870 58.000 -0.023 0.000 1.335 347 F CB 0.555 39.547 39.000 -0.012 0.000 1.014 347 F HN -0.160 nan 8.300 nan 0.000 0.537 348 K N -0.135 120.240 120.400 -0.043 0.000 2.444 348 K HA 0.131 4.495 4.320 0.074 0.000 0.193 348 K C -0.132 176.120 176.600 -0.580 0.000 1.024 348 K CA 0.197 56.306 56.287 -0.295 0.000 1.077 348 K CB 0.192 32.468 32.500 -0.374 0.000 0.833 348 K HN 0.133 nan 8.250 nan 0.000 0.517 349 F N 0.713 120.504 119.950 -0.265 0.000 2.461 349 F HA 0.075 4.647 4.527 0.075 0.000 0.337 349 F C 1.342 176.964 175.800 -0.295 0.000 1.079 349 F CA -1.076 56.680 58.000 -0.407 0.000 1.032 349 F CB 0.513 38.873 39.000 -1.067 0.000 1.327 349 F HN -0.015 nan 8.300 nan 0.000 0.491 350 D N -0.748 119.672 120.400 0.034 0.000 2.328 350 D HA 0.064 4.749 4.640 0.074 0.000 0.221 350 D C -0.509 175.897 176.300 0.177 0.000 1.072 350 D CA 0.105 54.171 54.000 0.110 0.000 0.850 350 D CB -0.869 40.020 40.800 0.147 0.000 0.922 350 D HN 0.233 nan 8.370 nan 0.000 0.516 351 F N -1.704 118.328 119.950 0.136 0.000 2.593 351 F HA 0.508 5.079 4.527 0.074 0.000 0.320 351 F C -0.203 175.577 175.800 -0.033 0.000 1.060 351 F CA -1.724 56.279 58.000 0.006 0.000 0.940 351 F CB 0.981 39.947 39.000 -0.057 0.000 1.268 351 F HN -0.334 nan 8.300 nan 0.000 0.475 352 D N 2.073 122.473 120.400 0.000 0.000 2.351 352 D HA 0.150 4.835 4.640 0.074 0.000 0.251 352 D C 0.987 177.197 176.300 -0.150 0.000 1.137 352 D CA 0.062 53.998 54.000 -0.107 0.000 0.879 352 D CB 1.410 42.172 40.800 -0.063 0.000 1.181 352 D HN 0.768 nan 8.370 nan 0.000 0.448 353 L N 3.518 124.584 121.223 -0.260 0.000 2.275 353 L HA -0.116 4.269 4.340 0.074 0.000 0.215 353 L C 1.973 178.692 176.870 -0.251 0.000 1.119 353 L CA 0.610 55.285 54.840 -0.277 0.000 0.790 353 L CB -0.048 41.719 42.059 -0.487 0.000 0.919 353 L HN 0.449 nan 8.230 nan 0.000 0.443 354 L N -0.940 120.150 121.223 -0.221 0.000 2.591 354 L HA 0.061 4.445 4.340 0.074 0.000 0.228 354 L C 0.394 177.170 176.870 -0.157 0.000 1.133 354 L CA -0.124 54.654 54.840 -0.103 0.000 0.880 354 L CB -0.274 41.820 42.059 0.058 0.000 1.033 354 L HN 0.105 nan 8.230 nan 0.000 0.450 355 D N 1.584 121.660 120.400 -0.540 0.000 2.313 355 D HA 0.138 4.823 4.640 0.074 0.000 0.239 355 D C -1.721 174.360 176.300 -0.365 0.000 1.142 355 D CA -2.309 51.160 54.000 -0.884 0.000 0.847 355 D CB 1.738 41.720 40.800 -1.364 0.000 1.082 355 D HN -0.111 nan 8.370 nan 0.000 0.480 356 P HA 0.004 nan 4.420 nan 0.000 0.245 356 P C 0.785 177.999 177.300 -0.143 0.000 1.212 356 P CA 0.501 63.541 63.100 -0.100 0.000 0.774 356 P CB -0.062 31.670 31.700 0.053 0.000 0.999 357 T N -4.311 110.144 114.554 -0.166 0.000 3.144 357 T HA 0.175 4.569 4.350 0.074 0.000 0.249 357 T C 0.660 175.259 174.700 -0.167 0.000 1.089 357 T CA -0.117 61.899 62.100 -0.139 0.000 0.989 357 T CB -0.224 68.607 68.868 -0.060 0.000 0.992 357 T HN -0.165 nan 8.240 nan 0.000 0.540 358 K N 2.164 122.372 120.400 -0.319 0.000 2.292 358 K HA 0.555 4.919 4.320 0.074 0.000 0.257 358 K C -0.361 176.019 176.600 -0.366 0.000 0.940 358 K CA -0.836 55.106 56.287 -0.574 0.000 0.811 358 K CB 2.253 34.309 32.500 -0.741 0.000 1.120 358 K HN 0.288 nan 8.250 nan 0.000 0.428 359 L N -0.119 121.015 121.223 -0.149 0.000 2.400 359 L HA 0.656 5.041 4.340 0.074 0.000 0.264 359 L C 0.053 176.764 176.870 -0.265 0.000 1.061 359 L CA -0.462 54.284 54.840 -0.155 0.000 0.799 359 L CB 0.280 42.318 42.059 -0.035 0.000 1.240 359 L HN 0.436 nan 8.230 nan 0.000 0.461 360 I N 1.218 121.727 120.570 -0.103 0.000 2.330 360 I HA 0.360 4.575 4.170 0.074 0.000 0.286 360 I C -2.195 173.963 176.117 0.067 0.000 1.025 360 I CA -1.791 59.505 61.300 -0.006 0.000 1.197 360 I CB 1.156 39.158 38.000 0.004 0.000 1.358 360 I HN 0.432 nan 8.210 nan 0.000 0.467 361 P HA 0.032 nan 4.420 nan 0.000 0.263 361 P C 0.415 177.797 177.300 0.136 0.000 1.195 361 P CA 0.171 63.334 63.100 0.106 0.000 0.762 361 P CB 0.601 32.351 31.700 0.083 0.000 0.799 362 E N 2.099 122.386 120.200 0.145 0.000 2.209 362 E HA -0.209 4.185 4.350 0.074 0.000 0.196 362 E C 1.364 178.029 176.600 0.108 0.000 0.993 362 E CA 0.903 57.377 56.400 0.123 0.000 0.819 362 E CB -0.016 29.759 29.700 0.125 0.000 0.745 362 E HN 0.531 nan 8.360 nan 0.000 0.477 363 E N 0.332 120.595 120.200 0.106 0.000 2.265 363 E HA -0.147 4.247 4.350 0.074 0.000 0.196 363 E C 2.033 178.703 176.600 0.116 0.000 0.996 363 E CA 0.745 57.202 56.400 0.095 0.000 0.832 363 E CB 0.080 29.828 29.700 0.081 0.000 0.756 363 E HN 0.379 nan 8.360 nan 0.000 0.491 364 L N -0.524 120.792 121.223 0.156 0.000 2.200 364 L HA 0.063 4.447 4.340 0.074 0.000 0.200 364 L C 0.685 177.682 176.870 0.211 0.000 1.072 364 L CA 0.415 55.384 54.840 0.216 0.000 0.787 364 L CB 0.444 42.711 42.059 0.347 0.000 0.957 364 L HN -0.210 nan 8.230 nan 0.000 0.459 365 V N 1.518 121.538 119.914 0.177 0.000 2.398 365 V HA 0.320 4.484 4.120 0.074 0.000 0.282 365 V C -2.385 173.765 176.094 0.094 0.000 1.014 365 V CA -1.505 60.882 62.300 0.144 0.000 0.838 365 V CB 1.355 33.259 31.823 0.136 0.000 1.018 365 V HN -0.028 nan 8.190 nan 0.000 0.432 366 P HA 0.188 nan 4.420 nan 0.000 0.272 366 P C -0.296 177.007 177.300 0.006 0.000 1.230 366 P CA -0.070 63.056 63.100 0.044 0.000 0.788 366 P CB 0.968 32.696 31.700 0.046 0.000 0.949 367 V N 2.889 122.773 119.914 -0.050 0.000 2.455 367 V HA 0.097 4.261 4.120 0.074 0.000 0.273 367 V C 0.833 176.913 176.094 -0.022 0.000 1.045 367 V CA -0.009 62.223 62.300 -0.113 0.000 0.976 367 V CB 0.176 31.845 31.823 -0.257 0.000 0.993 367 V HN 0.549 nan 8.190 nan 0.000 0.475 368 Q N 6.026 125.836 119.800 0.017 0.000 2.279 368 Q HA 0.322 4.706 4.340 0.074 0.000 0.256 368 Q C -0.047 175.956 176.000 0.005 0.000 0.937 368 Q CA -0.679 55.141 55.803 0.028 0.000 0.933 368 Q CB 0.717 29.487 28.738 0.053 0.000 1.189 368 Q HN 0.642 nan 8.270 nan 0.000 0.417 369 R N 2.596 123.121 120.500 0.043 0.000 2.522 369 R HA 0.035 4.420 4.340 0.074 0.000 0.284 369 R C 0.270 176.628 176.300 0.096 0.000 1.032 369 R CA -0.104 56.068 56.100 0.120 0.000 1.049 369 R CB 0.748 31.159 30.300 0.186 0.000 0.956 369 R HN 0.570 nan 8.270 nan 0.000 0.422 370 V N 1.362 121.251 119.914 -0.042 0.000 3.219 370 V HA 0.295 4.460 4.120 0.074 0.000 0.240 370 V C 0.734 176.609 176.094 -0.365 0.000 1.222 370 V CA 0.992 63.141 62.300 -0.252 0.000 1.181 370 V CB 1.103 32.505 31.823 -0.702 0.000 0.941 370 V HN 1.004 nan 8.190 nan 0.000 0.471 371 G N -0.281 108.190 108.800 -0.549 0.000 2.506 371 G HA2 0.507 4.512 3.960 0.074 0.000 0.292 371 G HA3 0.507 4.512 3.960 0.074 0.000 0.292 371 G C -1.869 172.704 174.900 -0.546 0.000 1.425 371 G CA -0.562 43.986 45.100 -0.919 0.000 0.788 371 G HN 0.042 nan 8.290 nan 0.000 0.490 372 K N -0.369 119.732 120.400 -0.498 0.000 2.316 372 K HA 0.749 5.114 4.320 0.074 0.000 0.251 372 K C -0.801 175.841 176.600 0.069 0.000 0.934 372 K CA -0.803 55.467 56.287 -0.028 0.000 0.802 372 K CB 1.982 34.499 32.500 0.028 0.000 1.171 372 K HN 0.564 nan 8.250 nan 0.000 0.426 373 M N 4.729 124.491 119.600 0.270 0.000 2.253 373 M HA 0.404 4.928 4.480 0.074 0.000 0.314 373 M C -1.816 174.471 176.300 -0.022 0.000 1.019 373 M CA -0.730 54.687 55.300 0.194 0.000 0.932 373 M CB 1.649 34.412 32.600 0.271 0.000 1.606 373 M HN 0.355 nan 8.290 nan 0.000 0.430 374 V N 5.591 125.324 119.914 -0.300 0.000 2.588 374 V HA 0.516 4.681 4.120 0.074 0.000 0.304 374 V C -1.048 174.905 176.094 -0.235 0.000 1.042 374 V CA -0.845 61.281 62.300 -0.290 0.000 0.877 374 V CB 1.937 33.452 31.823 -0.513 0.000 0.996 374 V HN 0.660 nan 8.190 nan 0.000 0.425 375 L N 5.537 126.714 121.223 -0.078 0.000 2.276 375 L HA 0.505 4.889 4.340 0.074 0.000 0.286 375 L C 0.623 177.428 176.870 -0.109 0.000 1.024 375 L CA 0.004 54.811 54.840 -0.056 0.000 0.826 375 L CB 1.107 43.181 42.059 0.025 0.000 1.211 375 L HN 0.874 nan 8.230 nan 0.000 0.422 376 N N 2.207 120.749 118.700 -0.263 0.000 2.170 376 N HA 0.140 4.925 4.740 0.074 0.000 0.222 376 N C 0.093 175.449 175.510 -0.256 0.000 1.218 376 N CA -0.208 52.449 53.050 -0.655 0.000 0.889 376 N CB 0.810 38.633 38.487 -1.107 0.000 1.083 376 N HN 0.419 nan 8.380 nan 0.000 0.520 377 R N 0.332 120.781 120.500 -0.085 0.000 2.515 377 R HA 0.290 4.675 4.340 0.074 0.000 0.278 377 R C -1.217 175.055 176.300 -0.046 0.000 1.107 377 R CA -0.556 55.510 56.100 -0.056 0.000 0.945 377 R CB 1.247 31.515 30.300 -0.053 0.000 1.219 377 R HN 0.065 nan 8.270 nan 0.000 0.434 378 N N 3.179 121.728 118.700 -0.252 0.000 2.424 378 N HA 0.281 5.066 4.740 0.074 0.000 0.257 378 N C -2.286 173.173 175.510 -0.084 0.000 1.250 378 N CA -1.161 51.611 53.050 -0.462 0.000 0.946 378 N CB 0.496 38.066 38.487 -1.528 0.000 1.175 378 N HN 0.315 nan 8.380 nan 0.000 0.477 379 P HA 0.156 nan 4.420 nan 0.000 0.275 379 P C 0.131 177.612 177.300 0.300 0.000 1.266 379 P CA -0.156 63.138 63.100 0.322 0.000 0.793 379 P CB 1.013 32.936 31.700 0.372 0.000 1.074 380 D N -1.133 119.419 120.400 0.254 0.000 2.201 380 D HA -0.022 4.662 4.640 0.074 0.000 0.209 380 D C 0.402 176.876 176.300 0.290 0.000 0.961 380 D CA 1.373 55.518 54.000 0.241 0.000 0.861 380 D CB 0.209 41.093 40.800 0.141 0.000 0.997 380 D HN 0.379 nan 8.370 nan 0.000 0.486 381 N N -0.197 118.665 118.700 0.269 0.000 2.461 381 N HA -0.000 4.784 4.740 0.074 0.000 0.284 381 N C 0.076 175.782 175.510 0.327 0.000 1.049 381 N CA -0.352 52.869 53.050 0.286 0.000 0.889 381 N CB 1.601 40.223 38.487 0.225 0.000 1.365 381 N HN -0.171 nan 8.380 nan 0.000 0.499 382 F N 4.440 124.539 119.950 0.247 0.000 2.065 382 F HA -0.201 4.371 4.527 0.075 0.000 0.298 382 F C 1.680 177.607 175.800 0.212 0.000 1.112 382 F CA 1.656 59.800 58.000 0.241 0.000 1.212 382 F CB -0.169 38.945 39.000 0.189 0.000 0.975 382 F HN 0.614 nan 8.300 nan 0.000 0.476 383 F N 0.841 121.008 119.950 0.362 0.000 2.069 383 F HA -0.160 4.412 4.527 0.074 0.000 0.298 383 F C 2.345 178.185 175.800 0.068 0.000 1.113 383 F CA 1.887 60.019 58.000 0.220 0.000 1.214 383 F CB -1.013 38.111 39.000 0.207 0.000 0.978 383 F HN 0.003 nan 8.300 nan 0.000 0.474 384 A N -0.375 122.583 122.820 0.230 0.000 1.933 384 A HA -0.186 4.179 4.320 0.074 0.000 0.218 384 A C 2.041 179.554 177.584 -0.118 0.000 1.175 384 A CA 2.136 54.210 52.037 0.061 0.000 0.628 384 A CB -0.672 18.421 19.000 0.156 0.000 0.814 384 A HN 0.624 nan 8.150 nan 0.000 0.444 385 E N -1.604 118.535 120.200 -0.101 0.000 2.206 385 E HA -0.041 4.354 4.350 0.074 0.000 0.195 385 E C 1.958 178.469 176.600 -0.148 0.000 0.935 385 E CA 0.352 56.641 56.400 -0.185 0.000 0.875 385 E CB -0.113 29.516 29.700 -0.119 0.000 0.841 385 E HN 0.546 nan 8.360 nan 0.000 0.477 386 N N 1.397 119.984 118.700 -0.188 0.000 2.176 386 N HA -0.162 4.623 4.740 0.074 0.000 0.187 386 N C 1.837 177.154 175.510 -0.321 0.000 1.043 386 N CA 1.388 54.272 53.050 -0.278 0.000 0.851 386 N CB 0.048 37.997 38.487 -0.897 0.000 1.018 386 N HN -0.066 nan 8.380 nan 0.000 0.436 387 E N 0.829 120.754 120.200 -0.459 0.000 2.085 387 E HA -0.124 4.271 4.350 0.074 0.000 0.194 387 E C 1.663 178.055 176.600 -0.347 0.000 0.994 387 E CA 1.554 57.763 56.400 -0.319 0.000 0.801 387 E CB -0.176 29.355 29.700 -0.283 0.000 0.743 387 E HN 0.503 nan 8.360 nan 0.000 0.453 388 Q N -0.301 119.238 119.800 -0.435 0.000 2.444 388 Q HA 0.238 4.622 4.340 0.074 0.000 0.206 388 Q C -0.004 175.869 176.000 -0.212 0.000 0.948 388 Q CA 0.197 55.806 55.803 -0.323 0.000 0.946 388 Q CB 0.439 28.975 28.738 -0.338 0.000 1.027 388 Q HN 0.217 nan 8.270 nan 0.000 0.513 389 A N 1.237 123.947 122.820 -0.182 0.000 2.511 389 A HA 0.427 4.792 4.320 0.074 0.000 0.242 389 A C -0.092 177.355 177.584 -0.228 0.000 1.069 389 A CA 0.235 52.145 52.037 -0.211 0.000 0.763 389 A CB 0.224 19.179 19.000 -0.075 0.000 1.001 389 A HN 0.279 nan 8.150 nan 0.000 0.498 390 A N 2.544 125.169 122.820 -0.325 0.000 2.340 390 A HA 0.690 5.054 4.320 0.074 0.000 0.297 390 A C -0.719 176.714 177.584 -0.251 0.000 1.195 390 A CA -0.434 51.471 52.037 -0.219 0.000 0.769 390 A CB 0.259 19.128 19.000 -0.217 0.000 1.163 390 A HN 0.632 nan 8.150 nan 0.000 0.472 391 F N 1.465 121.401 119.950 -0.024 0.000 2.432 391 F HA 0.643 5.214 4.527 0.074 0.000 0.329 391 F C 0.498 176.246 175.800 -0.087 0.000 1.076 391 F CA -0.084 57.889 58.000 -0.044 0.000 1.018 391 F CB 1.648 40.579 39.000 -0.115 0.000 1.201 391 F HN 0.663 nan 8.300 nan 0.000 0.489 392 H N 3.429 122.361 119.070 -0.231 0.000 3.083 392 H HA 0.266 4.863 4.556 0.069 0.000 0.339 392 H C -2.395 172.574 175.328 -0.599 0.000 1.020 392 H CA -2.742 52.904 56.048 -0.671 0.000 1.360 392 H CB 2.446 31.597 29.762 -1.018 0.000 1.811 392 H HN 0.178 nan 8.280 nan 0.000 0.493 393 P HA -0.054 nan 4.420 nan 0.000 0.222 393 P C 1.249 178.475 177.300 -0.123 0.000 1.147 393 P CA 1.383 64.355 63.100 -0.212 0.000 0.790 393 P CB 0.071 31.680 31.700 -0.151 0.000 0.780 394 G N -1.064 107.352 108.800 -0.640 0.000 2.509 394 G HA2 -0.167 3.838 3.960 0.074 0.000 0.218 394 G HA3 -0.167 3.838 3.960 0.074 0.000 0.218 394 G C 0.442 175.204 174.900 -0.231 0.000 1.124 394 G CA 0.052 44.817 45.100 -0.559 0.000 0.776 394 G HN 0.436 nan 8.290 nan 0.000 0.547 395 H N 0.762 119.672 119.070 -0.267 0.000 3.118 395 H HA 0.351 4.948 4.556 0.069 0.000 0.266 395 H C 0.635 175.994 175.328 0.053 0.000 1.465 395 H CA -0.782 55.205 56.048 -0.101 0.000 1.460 395 H CB -0.038 29.678 29.762 -0.078 0.000 1.661 395 H HN 0.378 nan 8.280 nan 0.000 0.516 396 I N -0.235 120.411 120.570 0.125 0.000 3.217 396 I HA 0.696 4.911 4.170 0.074 0.000 0.308 396 I C -0.152 175.946 176.117 -0.032 0.000 1.091 396 I CA -1.389 59.947 61.300 0.060 0.000 1.013 396 I CB 1.810 39.737 38.000 -0.122 0.000 1.250 396 I HN 0.149 nan 8.210 nan 0.000 0.496 397 V N -2.609 117.275 119.914 -0.051 0.000 3.141 397 V HA 0.657 4.822 4.120 0.074 0.000 0.312 397 V C -2.845 173.346 176.094 0.162 0.000 1.157 397 V CA -2.558 59.771 62.300 0.048 0.000 1.041 397 V CB 0.925 32.754 31.823 0.010 0.000 1.071 397 V HN 0.647 nan 8.190 nan 0.000 0.441 398 P HA 0.323 nan 4.420 nan 0.000 0.260 398 P C 0.899 178.192 177.300 -0.012 0.000 1.172 398 P CA 2.021 65.184 63.100 0.104 0.000 0.760 398 P CB 0.423 32.165 31.700 0.070 0.000 0.773 399 G N 1.789 110.534 108.800 -0.093 0.000 2.201 399 G HA2 -0.158 3.846 3.960 0.074 0.000 0.212 399 G HA3 -0.158 3.846 3.960 0.074 0.000 0.212 399 G C -0.278 174.531 174.900 -0.152 0.000 0.994 399 G CA -0.436 44.591 45.100 -0.121 0.000 0.644 399 G HN 0.461 nan 8.290 nan 0.000 0.508 400 L N -0.005 121.140 121.223 -0.130 0.000 2.333 400 L HA 0.911 5.295 4.340 0.074 0.000 0.263 400 L C -0.750 176.052 176.870 -0.112 0.000 1.014 400 L CA -1.068 53.675 54.840 -0.161 0.000 0.820 400 L CB 2.238 44.134 42.059 -0.272 0.000 1.352 400 L HN 0.091 nan 8.230 nan 0.000 0.421 401 D N -0.503 119.821 120.400 -0.126 0.000 2.622 401 D HA 0.443 5.128 4.640 0.074 0.000 0.255 401 D C -1.147 175.083 176.300 -0.118 0.000 1.246 401 D CA -0.351 53.539 54.000 -0.184 0.000 0.795 401 D CB 1.912 42.684 40.800 -0.047 0.000 1.369 401 D HN 0.116 nan 8.370 nan 0.000 0.425 402 F N -0.134 119.949 119.950 0.222 0.000 2.251 402 F HA 0.531 5.103 4.527 0.075 0.000 0.302 402 F C 1.564 177.398 175.800 0.057 0.000 1.143 402 F CA -0.213 57.855 58.000 0.113 0.000 1.104 402 F CB 0.797 39.826 39.000 0.047 0.000 1.516 402 F HN 0.229 nan 8.300 nan 0.000 0.511 403 T N -3.330 111.333 114.554 0.183 0.000 2.804 403 T HA 0.304 4.698 4.350 0.074 0.000 0.290 403 T C -0.070 174.664 174.700 0.056 0.000 1.099 403 T CA -0.998 61.180 62.100 0.130 0.000 1.011 403 T CB 1.227 70.146 68.868 0.085 0.000 1.291 403 T HN 0.349 nan 8.240 nan 0.000 0.523 404 N N 1.044 119.776 118.700 0.053 0.000 2.521 404 N HA 0.039 4.824 4.740 0.074 0.000 0.188 404 N C 0.132 175.640 175.510 -0.002 0.000 1.146 404 N CA 0.142 53.204 53.050 0.020 0.000 0.893 404 N CB -0.479 38.033 38.487 0.041 0.000 0.975 404 N HN 0.708 nan 8.380 nan 0.000 0.451 405 D N 2.323 122.708 120.400 -0.024 0.000 2.793 405 D HA -0.100 4.585 4.640 0.074 0.000 0.230 405 D C -1.367 174.912 176.300 -0.035 0.000 1.139 405 D CA -0.812 53.190 54.000 0.004 0.000 0.838 405 D CB 1.181 41.923 40.800 -0.097 0.000 1.149 405 D HN 0.145 nan 8.370 nan 0.000 0.526 406 P HA -0.109 nan 4.420 nan 0.000 0.226 406 P C 1.528 178.836 177.300 0.013 0.000 1.153 406 P CA 0.198 63.309 63.100 0.018 0.000 0.777 406 P CB 0.369 32.085 31.700 0.025 0.000 0.794 407 L N -0.318 120.925 121.223 0.034 0.000 2.049 407 L HA -0.001 4.384 4.340 0.074 0.000 0.203 407 L C 2.356 179.136 176.870 -0.150 0.000 1.074 407 L CA 1.329 56.187 54.840 0.030 0.000 0.749 407 L CB -1.649 40.513 42.059 0.172 0.000 0.907 407 L HN -0.174 nan 8.230 nan 0.000 0.439 408 L N -0.372 120.572 121.223 -0.464 0.000 2.013 408 L HA -0.252 4.133 4.340 0.074 0.000 0.212 408 L C 2.470 179.106 176.870 -0.390 0.000 1.073 408 L CA 1.856 56.230 54.840 -0.777 0.000 0.753 408 L CB -1.031 40.327 42.059 -1.168 0.000 0.890 408 L HN 0.395 nan 8.230 nan 0.000 0.432 409 Q N -0.113 119.519 119.800 -0.281 0.000 2.096 409 Q HA -0.193 4.191 4.340 0.074 0.000 0.208 409 Q C 2.095 178.022 176.000 -0.121 0.000 0.993 409 Q CA 1.974 57.658 55.803 -0.199 0.000 0.862 409 Q CB -0.888 27.778 28.738 -0.120 0.000 0.915 409 Q HN 0.724 nan 8.270 nan 0.000 0.416 410 G N 0.139 108.898 108.800 -0.069 0.000 2.464 410 G HA2 -0.181 3.824 3.960 0.074 0.000 0.217 410 G HA3 -0.181 3.824 3.960 0.074 0.000 0.217 410 G C 1.501 176.424 174.900 0.038 0.000 1.138 410 G CA 0.064 45.169 45.100 0.007 0.000 0.793 410 G HN 0.242 nan 8.290 nan 0.000 0.539 411 R N -0.120 120.360 120.500 -0.033 0.000 2.120 411 R HA 0.048 4.432 4.340 0.074 0.000 0.234 411 R C 2.438 178.832 176.300 0.157 0.000 1.123 411 R CA 0.762 56.906 56.100 0.073 0.000 0.975 411 R CB -0.396 29.926 30.300 0.036 0.000 0.866 411 R HN 0.347 nan 8.270 nan 0.000 0.446 412 L N -0.495 120.737 121.223 0.014 0.000 2.131 412 L HA -0.182 4.203 4.340 0.074 0.000 0.210 412 L C 2.261 179.243 176.870 0.187 0.000 1.092 412 L CA 1.076 55.941 54.840 0.042 0.000 0.759 412 L CB -0.463 41.441 42.059 -0.258 0.000 0.903 412 L HN 0.150 nan 8.230 nan 0.000 0.435 413 F N 0.274 120.237 119.950 0.022 0.000 2.163 413 F HA -0.184 4.372 4.527 0.048 0.000 0.297 413 F C 2.797 178.597 175.800 0.001 0.000 1.094 413 F CA 1.562 59.574 58.000 0.020 0.000 1.290 413 F CB -0.235 38.762 39.000 -0.005 0.000 1.017 413 F HN -0.039 nan 8.300 nan 0.000 0.483 414 S N -0.756 114.892 115.700 -0.087 0.000 2.368 414 S HA -0.201 4.314 4.470 0.074 0.000 0.224 414 S C 2.073 176.418 174.600 -0.424 0.000 1.029 414 S CA 1.383 59.418 58.200 -0.276 0.000 0.988 414 S CB -0.795 62.316 63.200 -0.148 0.000 0.838 414 S HN 0.538 nan 8.310 nan 0.000 0.462 415 Y N 1.691 121.654 120.300 -0.562 0.000 2.200 415 Y HA -0.084 4.507 4.550 0.069 0.000 0.290 415 Y C 3.043 178.502 175.900 -0.735 0.000 1.137 415 Y CA 1.593 59.259 58.100 -0.724 0.000 1.163 415 Y CB -0.974 36.851 38.460 -1.058 0.000 0.988 415 Y HN 0.254 nan 8.280 nan 0.000 0.518 416 T N -0.428 113.770 114.554 -0.592 0.000 2.684 416 T HA -0.245 4.150 4.350 0.074 0.000 0.267 416 T C 1.431 175.957 174.700 -0.289 0.000 1.036 416 T CA 1.787 63.709 62.100 -0.296 0.000 1.148 416 T CB -0.537 68.274 68.868 -0.095 0.000 0.863 416 T HN 0.390 nan 8.240 nan 0.000 0.436 417 D N 0.404 120.548 120.400 -0.426 0.000 2.092 417 D HA -0.126 4.559 4.640 0.074 0.000 0.193 417 D C 2.312 178.458 176.300 -0.256 0.000 0.994 417 D CA 1.701 55.475 54.000 -0.378 0.000 0.828 417 D CB -0.514 39.892 40.800 -0.656 0.000 0.963 417 D HN 0.236 nan 8.370 nan 0.000 0.450 418 T N -0.942 113.440 114.554 -0.286 0.000 2.759 418 T HA -0.175 4.220 4.350 0.074 0.000 0.269 418 T C 1.862 176.436 174.700 -0.209 0.000 1.042 418 T CA 1.538 63.509 62.100 -0.216 0.000 1.140 418 T CB -0.247 68.478 68.868 -0.238 0.000 0.864 418 T HN 0.257 nan 8.240 nan 0.000 0.455 419 Q N -0.072 119.545 119.800 -0.305 0.000 2.226 419 Q HA -0.036 4.349 4.340 0.074 0.000 0.204 419 Q C 2.166 178.034 176.000 -0.221 0.000 0.975 419 Q CA 0.919 56.487 55.803 -0.392 0.000 0.866 419 Q CB -0.108 28.129 28.738 -0.836 0.000 0.915 419 Q HN 0.468 nan 8.270 nan 0.000 0.440 420 I N 0.480 120.990 120.570 -0.099 0.000 2.361 420 I HA -0.207 4.008 4.170 0.074 0.000 0.251 420 I C 2.334 178.459 176.117 0.012 0.000 1.133 420 I CA 1.559 62.878 61.300 0.031 0.000 1.413 420 I CB -1.142 36.884 38.000 0.044 0.000 1.073 420 I HN 0.216 nan 8.210 nan 0.000 0.424 421 S N 0.061 115.747 115.700 -0.024 0.000 2.468 421 S HA -0.028 4.487 4.470 0.074 0.000 0.226 421 S C 2.121 176.713 174.600 -0.013 0.000 1.051 421 S CA -0.036 58.161 58.200 -0.005 0.000 0.943 421 S CB -0.252 62.946 63.200 -0.004 0.000 0.810 421 S HN 0.283 nan 8.310 nan 0.000 0.509 422 R N 1.170 121.641 120.500 -0.048 0.000 2.083 422 R HA 0.094 4.478 4.340 0.074 0.000 0.237 422 R C 1.365 177.646 176.300 -0.031 0.000 1.137 422 R CA 1.636 57.708 56.100 -0.047 0.000 0.951 422 R CB -0.364 29.886 30.300 -0.083 0.000 0.851 422 R HN 0.455 nan 8.270 nan 0.000 0.434 423 L N -0.421 120.777 121.223 -0.041 0.000 2.741 423 L HA 0.313 4.697 4.340 0.074 0.000 0.237 423 L C 0.856 177.754 176.870 0.046 0.000 1.178 423 L CA 0.267 55.105 54.840 -0.005 0.000 0.973 423 L CB 0.903 42.956 42.059 -0.010 0.000 1.255 423 L HN 0.606 nan 8.230 nan 0.000 0.498 424 G N 0.016 108.842 108.800 0.044 0.000 2.155 424 G HA2 -0.111 3.894 3.960 0.074 0.000 0.257 424 G HA3 -0.111 3.894 3.960 0.074 0.000 0.257 424 G C 0.463 175.410 174.900 0.079 0.000 0.983 424 G CA 0.097 45.230 45.100 0.055 0.000 0.676 424 G HN 0.811 nan 8.290 nan 0.000 0.528 425 G N -1.788 107.080 108.800 0.113 0.000 2.356 425 G HA2 0.574 4.579 3.960 0.074 0.000 0.288 425 G HA3 0.574 4.579 3.960 0.074 0.000 0.288 425 G C -2.162 172.869 174.900 0.218 0.000 1.302 425 G CA 0.333 45.511 45.100 0.130 0.000 0.887 425 G HN 0.469 nan 8.290 nan 0.000 0.521 426 P HA 0.136 nan 4.420 nan 0.000 0.255 426 P C 0.338 177.600 177.300 -0.063 0.000 1.248 426 P CA 0.324 63.498 63.100 0.125 0.000 0.807 426 P CB 0.248 31.997 31.700 0.081 0.000 1.150 427 N N 0.453 119.140 118.700 -0.023 0.000 2.327 427 N HA 0.061 4.846 4.740 0.074 0.000 0.231 427 N C 1.010 176.361 175.510 -0.265 0.000 1.130 427 N CA -0.158 52.798 53.050 -0.157 0.000 0.845 427 N CB -0.591 37.851 38.487 -0.075 0.000 1.073 427 N HN 0.247 nan 8.380 nan 0.000 0.496 428 F N 0.691 120.636 119.950 -0.008 0.000 2.408 428 F HA -0.074 4.488 4.527 0.058 0.000 0.300 428 F C 2.198 177.948 175.800 -0.083 0.000 1.090 428 F CA 0.759 58.725 58.000 -0.056 0.000 1.427 428 F CB -0.785 38.201 39.000 -0.022 0.000 1.070 428 F HN 0.160 nan 8.300 nan 0.000 0.549 429 H N 0.438 119.206 119.070 -0.503 0.000 2.524 429 H HA 0.062 4.662 4.556 0.073 0.000 0.282 429 H C 0.869 176.072 175.328 -0.210 0.000 1.016 429 H CA 1.324 57.173 56.048 -0.331 0.000 1.270 429 H CB -0.858 28.587 29.762 -0.528 0.000 1.394 429 H HN 0.516 nan 8.280 nan 0.000 0.568 430 E N 0.903 120.678 120.200 -0.708 0.000 2.478 430 E HA 0.182 4.576 4.350 0.074 0.000 0.194 430 E C 0.251 176.729 176.600 -0.203 0.000 1.045 430 E CA -0.259 55.886 56.400 -0.426 0.000 0.868 430 E CB 0.459 29.919 29.700 -0.399 0.000 0.885 430 E HN 0.419 nan 8.360 nan 0.000 0.505 431 I N 2.492 122.968 120.570 -0.156 0.000 2.533 431 I HA -0.023 4.191 4.170 0.074 0.000 0.284 431 I C -1.541 174.514 176.117 -0.103 0.000 1.109 431 I CA -1.722 59.512 61.300 -0.110 0.000 1.412 431 I CB 0.749 38.699 38.000 -0.084 0.000 1.396 431 I HN -0.192 nan 8.210 nan 0.000 0.543 432 P HA -0.277 nan 4.420 nan 0.000 0.219 432 P C 1.718 178.941 177.300 -0.128 0.000 1.161 432 P CA 1.424 64.465 63.100 -0.099 0.000 0.909 432 P CB 0.154 31.806 31.700 -0.081 0.000 0.793 433 I N -0.877 119.591 120.570 -0.170 0.000 2.335 433 I HA -0.195 4.020 4.170 0.074 0.000 0.251 433 I C 1.357 177.391 176.117 -0.139 0.000 1.129 433 I CA 1.689 62.838 61.300 -0.252 0.000 1.402 433 I CB -0.723 37.022 38.000 -0.425 0.000 1.069 433 I HN -0.089 nan 8.210 nan 0.000 0.424 434 N N 0.624 119.267 118.700 -0.095 0.000 2.422 434 N HA 0.030 4.815 4.740 0.074 0.000 0.181 434 N C 0.278 175.806 175.510 0.030 0.000 1.080 434 N CA 0.201 53.233 53.050 -0.029 0.000 0.893 434 N CB -0.097 38.392 38.487 0.003 0.000 0.973 434 N HN 0.385 nan 8.380 nan 0.000 0.456 435 R N 1.615 122.120 120.500 0.008 0.000 2.537 435 R HA 0.173 4.557 4.340 0.074 0.000 0.280 435 R C -2.241 174.116 176.300 0.096 0.000 1.058 435 R CA -1.240 54.868 56.100 0.013 0.000 1.057 435 R CB -0.159 30.131 30.300 -0.017 0.000 0.973 435 R HN 0.019 nan 8.270 nan 0.000 0.438 436 P HA -0.012 nan 4.420 nan 0.000 0.269 436 P C 0.495 177.859 177.300 0.107 0.000 1.215 436 P CA 0.012 63.190 63.100 0.129 0.000 0.780 436 P CB 0.688 32.426 31.700 0.063 0.000 0.898 437 T N -2.785 111.841 114.554 0.119 0.000 3.060 437 T HA 0.089 4.484 4.350 0.074 0.000 0.249 437 T C 0.875 175.616 174.700 0.068 0.000 1.079 437 T CA -0.045 62.085 62.100 0.050 0.000 1.013 437 T CB -1.027 67.850 68.868 0.016 0.000 0.975 437 T HN 0.565 nan 8.240 nan 0.000 0.518 438 C N 1.162 120.518 119.300 0.094 0.000 2.345 438 C HA 0.791 5.295 4.460 0.074 0.000 0.369 438 C C -2.454 172.595 174.990 0.097 0.000 1.273 438 C CA -2.420 56.653 59.018 0.090 0.000 2.310 438 C CB -0.013 27.785 27.740 0.097 0.000 2.219 438 C HN 0.174 nan 8.230 nan 0.000 0.587 439 P HA 0.334 nan 4.420 nan 0.000 0.271 439 P C -1.264 176.113 177.300 0.129 0.000 1.216 439 P CA 0.353 63.525 63.100 0.120 0.000 0.776 439 P CB 0.002 31.814 31.700 0.187 0.000 0.881 440 Y N 0.788 120.985 120.300 -0.171 0.000 2.354 440 Y HA 0.659 5.253 4.550 0.074 0.000 0.330 440 Y C -1.476 174.098 175.900 -0.544 0.000 1.011 440 Y CA -0.931 57.047 58.100 -0.205 0.000 1.099 440 Y CB 1.352 39.717 38.460 -0.158 0.000 1.179 440 Y HN 0.422 nan 8.280 nan 0.000 0.442 441 H N 3.927 122.908 119.070 -0.148 0.000 2.947 441 H HA 0.537 5.138 4.556 0.075 0.000 0.354 441 H C -1.146 174.082 175.328 -0.167 0.000 1.085 441 H CA -0.785 55.103 56.048 -0.267 0.000 1.253 441 H CB 1.634 31.263 29.762 -0.223 0.000 1.757 441 H HN 0.895 nan 8.280 nan 0.000 0.523 442 N N 0.424 119.031 118.700 -0.154 0.000 3.449 442 N HA 0.199 4.984 4.740 0.074 0.000 0.312 442 N C -1.232 174.072 175.510 -0.344 0.000 1.557 442 N CA -0.924 52.011 53.050 -0.192 0.000 0.864 442 N CB 0.682 39.196 38.487 0.044 0.000 1.799 442 N HN 0.287 nan 8.380 nan 0.000 0.554 443 F N -0.377 119.617 119.950 0.073 0.000 2.647 443 F HA 0.376 4.944 4.527 0.068 0.000 0.300 443 F C 0.342 176.186 175.800 0.074 0.000 1.106 443 F CA -0.393 57.646 58.000 0.065 0.000 1.313 443 F CB 0.170 39.204 39.000 0.057 0.000 1.007 443 F HN 0.140 nan 8.300 nan 0.000 0.536 444 Q N 1.666 121.578 119.800 0.187 0.000 2.352 444 Q HA 0.401 4.786 4.340 0.074 0.000 0.260 444 Q C 0.091 176.168 176.000 0.129 0.000 0.976 444 Q CA 0.028 55.916 55.803 0.141 0.000 0.881 444 Q CB 1.041 29.836 28.738 0.096 0.000 1.235 444 Q HN 0.109 nan 8.270 nan 0.000 0.419 445 R N 1.616 122.186 120.500 0.116 0.000 2.799 445 R HA 0.353 4.737 4.340 0.074 0.000 0.270 445 R C -0.688 175.663 176.300 0.084 0.000 1.010 445 R CA -0.660 55.500 56.100 0.100 0.000 0.916 445 R CB 1.231 31.594 30.300 0.105 0.000 1.228 445 R HN 0.714 nan 8.270 nan 0.000 0.469 446 D N -0.253 120.189 120.400 0.070 0.000 3.439 446 D HA -0.150 4.534 4.640 0.074 0.000 0.238 446 D C 0.343 176.680 176.300 0.061 0.000 1.727 446 D CA 2.014 56.049 54.000 0.058 0.000 1.145 446 D CB -0.986 39.847 40.800 0.054 0.000 0.764 446 D HN 0.901 nan 8.370 nan 0.000 0.938 447 G N -1.588 107.245 108.800 0.056 0.000 2.690 447 G HA2 0.241 4.246 3.960 0.074 0.000 0.686 447 G HA3 0.241 4.246 3.960 0.074 0.000 0.686 447 G C -0.320 174.616 174.900 0.061 0.000 1.277 447 G CA -0.012 45.125 45.100 0.061 0.000 0.799 447 G HN 0.827 nan 8.290 nan 0.000 0.613 448 M N 1.242 120.883 119.600 0.069 0.000 2.250 448 M HA 0.471 4.996 4.480 0.074 0.000 0.337 448 M C 1.078 177.458 176.300 0.133 0.000 1.161 448 M CA 1.289 56.639 55.300 0.083 0.000 1.088 448 M CB -0.566 32.084 32.600 0.083 0.000 1.639 448 M HN 1.575 nan 8.290 nan 0.000 0.447 449 H N 1.048 120.124 119.070 0.010 0.000 2.677 449 H HA -0.187 4.412 4.556 0.072 0.000 0.321 449 H C -0.747 174.574 175.328 -0.012 0.000 1.171 449 H CA 0.530 56.579 56.048 0.002 0.000 1.139 449 H CB -0.588 29.177 29.762 0.005 0.000 1.515 449 H HN 0.638 nan 8.280 nan 0.000 0.423 450 R N 1.635 122.174 120.500 0.064 0.000 2.351 450 R HA 0.053 4.438 4.340 0.074 0.000 0.318 450 R C 0.942 177.260 176.300 0.029 0.000 1.055 450 R CA 0.023 56.150 56.100 0.044 0.000 0.968 450 R CB 0.274 30.592 30.300 0.031 0.000 0.974 450 R HN 0.412 nan 8.270 nan 0.000 0.439 451 M N 2.510 122.135 119.600 0.042 0.000 2.398 451 M HA 0.205 4.730 4.480 0.074 0.000 0.261 451 M C 0.959 177.264 176.300 0.009 0.000 1.125 451 M CA 1.047 56.365 55.300 0.031 0.000 1.183 451 M CB -0.909 31.711 32.600 0.034 0.000 1.322 451 M HN 0.693 nan 8.290 nan 0.000 0.467 452 G N 2.196 111.004 108.800 0.013 0.000 2.299 452 G HA2 0.344 4.349 3.960 0.074 0.000 0.256 452 G HA3 0.344 4.349 3.960 0.074 0.000 0.256 452 G C -0.310 174.589 174.900 -0.002 0.000 1.259 452 G CA -0.309 44.793 45.100 0.003 0.000 0.943 452 G HN 0.320 nan 8.290 nan 0.000 0.479 453 I N 3.098 123.660 120.570 -0.014 0.000 2.306 453 I HA 0.108 4.323 4.170 0.074 0.000 0.288 453 I C -0.220 175.888 176.117 -0.015 0.000 1.036 453 I CA -0.512 60.782 61.300 -0.009 0.000 1.221 453 I CB 0.951 38.944 38.000 -0.010 0.000 1.385 453 I HN 0.375 nan 8.210 nan 0.000 0.472 454 D N 4.626 125.023 120.400 -0.006 0.000 2.304 454 D HA 0.105 4.790 4.640 0.074 0.000 0.250 454 D C 1.083 177.384 176.300 0.002 0.000 1.107 454 D CA 0.152 54.145 54.000 -0.011 0.000 0.885 454 D CB 2.006 42.806 40.800 -0.001 0.000 1.192 454 D HN 0.568 nan 8.370 nan 0.000 0.436 455 T N -1.165 113.386 114.554 -0.005 0.000 3.023 455 T HA -0.046 4.349 4.350 0.074 0.000 0.253 455 T C 0.777 175.485 174.700 0.014 0.000 1.038 455 T CA -0.523 61.579 62.100 0.003 0.000 0.962 455 T CB 0.148 69.011 68.868 -0.008 0.000 1.018 455 T HN 0.127 nan 8.240 nan 0.000 0.521 456 N N 3.536 122.245 118.700 0.014 0.000 2.411 456 N HA 0.099 4.883 4.740 0.074 0.000 0.261 456 N C -1.506 174.042 175.510 0.064 0.000 1.248 456 N CA -1.608 51.462 53.050 0.034 0.000 0.885 456 N CB 1.456 39.956 38.487 0.023 0.000 1.062 456 N HN 0.071 nan 8.380 nan 0.000 0.471 457 P HA -0.003 nan 4.420 nan 0.000 0.222 457 P C -0.494 176.870 177.300 0.107 0.000 1.147 457 P CA 0.841 63.988 63.100 0.078 0.000 0.790 457 P CB 0.196 31.937 31.700 0.068 0.000 0.780 458 A N 0.841 123.720 122.820 0.097 0.000 2.324 458 A HA 0.440 4.804 4.320 0.074 0.000 0.330 458 A C 0.485 178.199 177.584 0.216 0.000 1.165 458 A CA -0.720 51.346 52.037 0.048 0.000 0.813 458 A CB 0.163 19.004 19.000 -0.265 0.000 1.197 458 A HN 0.261 nan 8.150 nan 0.000 0.484 459 N N 0.265 119.130 118.700 0.275 0.000 2.351 459 N HA 0.353 5.137 4.740 0.074 0.000 0.254 459 N C -0.896 174.796 175.510 0.303 0.000 1.241 459 N CA -0.312 52.970 53.050 0.387 0.000 0.883 459 N CB 0.321 38.979 38.487 0.285 0.000 1.202 459 N HN 0.696 nan 8.380 nan 0.000 0.512 460 Y N -1.066 119.115 120.300 -0.197 0.000 2.609 460 Y HA 0.642 5.235 4.550 0.070 0.000 0.336 460 Y C -1.563 173.751 175.900 -0.978 0.000 1.129 460 Y CA -1.391 56.393 58.100 -0.527 0.000 1.040 460 Y CB 1.009 39.334 38.460 -0.226 0.000 1.310 460 Y HN 0.056 nan 8.280 nan 0.000 0.460 461 E N 1.043 120.769 120.200 -0.790 0.000 2.356 461 E HA 0.656 5.051 4.350 0.074 0.000 0.275 461 E C -3.188 173.310 176.600 -0.171 0.000 0.904 461 E CA -2.022 54.030 56.400 -0.581 0.000 0.757 461 E CB 1.800 31.125 29.700 -0.626 0.000 1.232 461 E HN 0.567 nan 8.360 nan 0.000 0.442 462 P HA 0.296 nan 4.420 nan 0.000 0.279 462 P C -1.291 175.965 177.300 -0.073 0.000 1.239 462 P CA -0.467 62.568 63.100 -0.109 0.000 0.789 462 P CB 0.588 32.257 31.700 -0.052 0.000 0.933 463 N N -1.160 117.417 118.700 -0.205 0.000 2.262 463 N HA 0.368 5.152 4.740 0.074 0.000 0.295 463 N C 0.315 175.773 175.510 -0.087 0.000 1.161 463 N CA -0.748 52.181 53.050 -0.202 0.000 0.767 463 N CB 1.503 39.587 38.487 -0.671 0.000 1.499 463 N HN 0.196 nan 8.380 nan 0.000 0.476 464 S N 0.542 116.238 115.700 -0.006 0.000 2.514 464 S HA 0.003 4.518 4.470 0.074 0.000 0.223 464 S C 1.581 176.191 174.600 0.017 0.000 1.046 464 S CA 0.010 58.211 58.200 0.001 0.000 0.914 464 S CB -0.798 62.416 63.200 0.022 0.000 0.807 464 S HN 0.708 nan 8.310 nan 0.000 0.497 465 I N -0.377 120.213 120.570 0.033 0.000 2.756 465 I HA 0.178 4.393 4.170 0.074 0.000 0.262 465 I C 1.395 177.542 176.117 0.051 0.000 1.225 465 I CA 1.414 62.744 61.300 0.050 0.000 1.472 465 I CB -0.407 37.641 38.000 0.080 0.000 1.094 465 I HN 0.202 nan 8.210 nan 0.000 0.454 466 N N 1.009 119.736 118.700 0.044 0.000 2.238 466 N HA 0.027 4.811 4.740 0.074 0.000 0.235 466 N C -0.068 175.541 175.510 0.165 0.000 1.209 466 N CA -0.005 53.110 53.050 0.109 0.000 0.879 466 N CB 0.073 38.640 38.487 0.133 0.000 1.136 466 N HN 0.235 nan 8.380 nan 0.000 0.517 467 D N 0.664 121.108 120.400 0.074 0.000 2.772 467 D HA -0.254 4.430 4.640 0.074 0.000 0.233 467 D C -0.162 176.027 176.300 -0.185 0.000 1.143 467 D CA 1.016 55.021 54.000 0.008 0.000 0.700 467 D CB -1.509 39.361 40.800 0.117 0.000 1.076 467 D HN 0.459 nan 8.370 nan 0.000 0.430 468 N N -1.576 117.048 118.700 -0.127 0.000 2.741 468 N HA -0.247 4.538 4.740 0.074 0.000 0.251 468 N C -0.796 174.635 175.510 -0.131 0.000 1.112 468 N CA 1.433 54.383 53.050 -0.166 0.000 0.750 468 N CB -1.246 37.091 38.487 -0.250 0.000 1.119 468 N HN 0.565 nan 8.380 nan 0.000 0.561 469 W N 0.698 122.045 121.300 0.077 0.000 2.381 469 W HA 0.435 5.139 4.660 0.072 0.000 0.329 469 W C -1.682 174.853 176.519 0.026 0.000 1.157 469 W CA -1.729 55.639 57.345 0.039 0.000 1.240 469 W CB 0.713 30.151 29.460 -0.036 0.000 1.199 469 W HN -0.030 nan 8.180 nan 0.000 0.579 470 P HA 0.189 nan 4.420 nan 0.000 0.275 470 P C -0.724 176.724 177.300 0.247 0.000 1.227 470 P CA -0.147 63.100 63.100 0.245 0.000 0.781 470 P CB 0.915 32.618 31.700 0.006 0.000 0.906 471 R N 1.481 122.120 120.500 0.232 0.000 2.540 471 R HA 0.296 4.681 4.340 0.074 0.000 0.287 471 R C 0.380 176.729 176.300 0.080 0.000 0.980 471 R CA -0.794 55.316 56.100 0.017 0.000 0.966 471 R CB 0.981 31.082 30.300 -0.333 0.000 1.106 471 R HN 0.496 nan 8.270 nan 0.000 0.480 472 E N 0.808 121.040 120.200 0.052 0.000 2.459 472 E HA -0.023 4.372 4.350 0.074 0.000 0.264 472 E C -0.541 176.088 176.600 0.049 0.000 1.055 472 E CA 0.855 57.291 56.400 0.061 0.000 0.957 472 E CB 0.586 30.309 29.700 0.038 0.000 0.952 472 E HN 0.362 nan 8.360 nan 0.000 0.448 473 T N 3.865 118.457 114.554 0.064 0.000 2.879 473 T HA 0.325 4.719 4.350 0.074 0.000 0.290 473 T C -2.466 172.262 174.700 0.047 0.000 0.993 473 T CA -1.544 60.591 62.100 0.059 0.000 0.975 473 T CB 1.477 70.391 68.868 0.077 0.000 0.981 473 T HN 0.250 nan 8.240 nan 0.000 0.439 474 P HA 0.228 nan 4.420 nan 0.000 0.268 474 P C -2.509 174.800 177.300 0.015 0.000 1.208 474 P CA -1.256 61.855 63.100 0.018 0.000 0.777 474 P CB -0.466 31.239 31.700 0.008 0.000 0.875 475 P HA 0.309 nan 4.420 nan 0.000 0.269 475 P C 0.069 177.358 177.300 -0.019 0.000 1.215 475 P CA 0.394 63.481 63.100 -0.022 0.000 0.780 475 P CB 0.624 32.291 31.700 -0.056 0.000 0.898 476 G N 0.899 109.686 108.800 -0.023 0.000 2.430 476 G HA2 0.361 4.366 3.960 0.074 0.000 0.300 476 G HA3 0.361 4.366 3.960 0.074 0.000 0.300 476 G C -2.626 172.262 174.900 -0.020 0.000 1.330 476 G CA -0.730 44.360 45.100 -0.017 0.000 0.813 476 G HN 0.098 nan 8.290 nan 0.000 0.487 477 P HA 0.098 nan 4.420 nan 0.000 0.217 477 P C 0.257 177.551 177.300 -0.010 0.000 1.150 477 P CA 1.198 64.288 63.100 -0.017 0.000 0.832 477 P CB 0.154 31.846 31.700 -0.012 0.000 0.787 478 K N -1.892 118.509 120.400 0.002 0.000 2.502 478 K HA 0.404 4.769 4.320 0.074 0.000 0.257 478 K C -0.243 176.372 176.600 0.024 0.000 0.938 478 K CA -0.847 55.448 56.287 0.013 0.000 0.819 478 K CB 1.714 34.223 32.500 0.016 0.000 1.333 478 K HN -0.315 nan 8.250 nan 0.000 0.434 479 R N -0.373 120.149 120.500 0.037 0.000 3.627 479 R HA -0.161 4.223 4.340 0.074 0.000 0.281 479 R C -0.013 176.315 176.300 0.048 0.000 1.140 479 R CA 1.011 57.140 56.100 0.048 0.000 0.761 479 R CB -2.200 28.127 30.300 0.046 0.000 1.181 479 R HN 0.915 nan 8.270 nan 0.000 0.472 480 G N -0.854 107.969 108.800 0.039 0.000 2.488 480 G HA2 0.622 4.626 3.960 0.074 0.000 0.318 480 G HA3 0.622 4.626 3.960 0.074 0.000 0.318 480 G C 0.303 175.236 174.900 0.055 0.000 1.188 480 G CA 0.059 45.180 45.100 0.036 0.000 0.944 480 G HN 0.244 nan 8.290 nan 0.000 0.495 481 G N -1.254 107.581 108.800 0.058 0.000 2.569 481 G HA2 0.404 4.409 3.960 0.074 0.000 0.249 481 G HA3 0.404 4.409 3.960 0.074 0.000 0.249 481 G C -0.634 174.326 174.900 0.099 0.000 1.216 481 G CA -0.528 44.628 45.100 0.093 0.000 0.845 481 G HN 0.466 nan 8.290 nan 0.000 0.568 482 F N 0.417 120.380 119.950 0.022 0.000 2.456 482 F HA 0.379 4.954 4.527 0.079 0.000 0.358 482 F C 0.556 176.367 175.800 0.019 0.000 1.095 482 F CA -0.177 57.831 58.000 0.012 0.000 1.216 482 F CB 0.883 39.891 39.000 0.013 0.000 1.125 482 F HN 0.433 nan 8.300 nan 0.000 0.549 483 E N 4.115 123.982 120.200 -0.555 0.000 2.246 483 E HA 0.302 4.697 4.350 0.074 0.000 0.266 483 E C -1.102 175.200 176.600 -0.497 0.000 0.880 483 E CA -0.770 55.447 56.400 -0.305 0.000 0.762 483 E CB 1.460 31.053 29.700 -0.178 0.000 1.180 483 E HN 0.637 nan 8.360 nan 0.000 0.416 484 S N 2.574 118.204 115.700 -0.117 0.000 2.572 484 S HA -0.010 4.505 4.470 0.074 0.000 0.279 484 S C -0.482 174.100 174.600 -0.030 0.000 1.341 484 S CA -0.357 57.835 58.200 -0.013 0.000 1.043 484 S CB 0.149 63.468 63.200 0.198 0.000 0.887 484 S HN 0.482 nan 8.310 nan 0.000 0.516 485 Y N 2.464 122.695 120.300 -0.116 0.000 2.717 485 Y HA -0.046 4.548 4.550 0.073 0.000 0.330 485 Y C 0.818 176.697 175.900 -0.035 0.000 1.217 485 Y CA 0.103 58.148 58.100 -0.092 0.000 1.506 485 Y CB 0.075 38.483 38.460 -0.087 0.000 1.268 485 Y HN 0.589 nan 8.280 nan 0.000 0.561 486 Q N 5.304 124.725 119.800 -0.631 0.000 3.254 486 Q HA 0.014 4.399 4.340 0.074 0.000 0.315 486 Q C -0.165 175.494 176.000 -0.567 0.000 1.405 486 Q CA -0.006 55.517 55.803 -0.467 0.000 0.966 486 Q CB -0.211 28.341 28.738 -0.309 0.000 1.706 486 Q HN 0.644 nan 8.270 nan 0.000 0.525 487 E N 1.374 121.321 120.200 -0.422 0.000 2.392 487 E HA 0.022 4.416 4.350 0.074 0.000 0.264 487 E C -0.270 176.284 176.600 -0.078 0.000 1.024 487 E CA -0.497 55.795 56.400 -0.179 0.000 0.903 487 E CB 0.668 30.418 29.700 0.085 0.000 0.963 487 E HN 0.159 nan 8.360 nan 0.000 0.432 488 R N 2.961 123.442 120.500 -0.031 0.000 2.389 488 R HA 0.218 4.603 4.340 0.074 0.000 0.295 488 R C -1.454 174.864 176.300 0.030 0.000 1.075 488 R CA -0.202 55.895 56.100 -0.005 0.000 1.005 488 R CB 0.852 31.159 30.300 0.011 0.000 0.987 488 R HN 0.283 nan 8.270 nan 0.000 0.452 489 V N 4.928 124.853 119.914 0.018 0.000 2.444 489 V HA 0.416 4.581 4.120 0.074 0.000 0.294 489 V C -0.636 175.468 176.094 0.017 0.000 1.022 489 V CA -0.568 61.747 62.300 0.025 0.000 0.850 489 V CB 1.629 33.463 31.823 0.019 0.000 0.992 489 V HN 0.849 nan 8.190 nan 0.000 0.426 490 E N 2.827 123.039 120.200 0.021 0.000 2.313 490 E HA 0.674 5.068 4.350 0.074 0.000 0.280 490 E C -0.155 176.451 176.600 0.010 0.000 0.898 490 E CA -0.358 56.050 56.400 0.013 0.000 0.803 490 E CB 2.250 31.959 29.700 0.014 0.000 1.286 490 E HN 0.993 nan 8.360 nan 0.000 0.401 491 G N 2.388 111.189 108.800 0.002 0.000 2.313 491 G HA2 0.129 4.133 3.960 0.074 0.000 0.296 491 G HA3 0.129 4.133 3.960 0.074 0.000 0.296 491 G C -1.514 173.381 174.900 -0.010 0.000 1.356 491 G CA -1.023 44.075 45.100 -0.004 0.000 0.833 491 G HN 0.352 nan 8.290 nan 0.000 0.552 492 N N -0.132 118.559 118.700 -0.015 0.000 2.482 492 N HA 0.468 5.253 4.740 0.074 0.000 0.279 492 N C -0.268 175.229 175.510 -0.022 0.000 1.182 492 N CA -0.617 52.423 53.050 -0.017 0.000 0.969 492 N CB 1.075 39.551 38.487 -0.018 0.000 1.201 492 N HN 0.428 nan 8.380 nan 0.000 0.523 493 K N 1.036 121.423 120.400 -0.023 0.000 2.336 493 K HA 0.205 4.570 4.320 0.074 0.000 0.290 493 K C -0.766 175.812 176.600 -0.036 0.000 1.067 493 K CA -0.191 56.079 56.287 -0.029 0.000 0.962 493 K CB -0.165 32.319 32.500 -0.027 0.000 1.008 493 K HN 0.335 nan 8.250 nan 0.000 0.467 494 V N 0.285 120.172 119.914 -0.045 0.000 2.925 494 V HA 0.471 4.635 4.120 0.074 0.000 0.311 494 V C -0.532 175.520 176.094 -0.069 0.000 1.104 494 V CA -1.334 60.934 62.300 -0.052 0.000 0.954 494 V CB 2.012 33.806 31.823 -0.049 0.000 1.022 494 V HN 0.627 nan 8.190 nan 0.000 0.427 495 R N 2.312 122.766 120.500 -0.076 0.000 2.522 495 R HA 0.577 4.961 4.340 0.074 0.000 0.290 495 R C -0.489 175.761 176.300 -0.083 0.000 1.216 495 R CA -0.111 55.930 56.100 -0.098 0.000 1.250 495 R CB 0.734 30.961 30.300 -0.121 0.000 1.143 495 R HN 0.909 nan 8.270 nan 0.000 0.553 496 E N 1.823 121.970 120.200 -0.088 0.000 2.321 496 E HA 0.228 4.623 4.350 0.074 0.000 0.278 496 E C -1.201 175.329 176.600 -0.116 0.000 0.902 496 E CA -1.055 55.296 56.400 -0.083 0.000 0.758 496 E CB 1.758 31.415 29.700 -0.071 0.000 1.213 496 E HN 0.114 nan 8.360 nan 0.000 0.426 497 R N 1.577 122.016 120.500 -0.103 0.000 2.438 497 R HA 0.183 4.567 4.340 0.074 0.000 0.287 497 R C -0.475 175.706 176.300 -0.199 0.000 1.077 497 R CA 0.130 56.132 56.100 -0.162 0.000 1.034 497 R CB 1.087 31.353 30.300 -0.057 0.000 0.993 497 R HN 0.361 nan 8.270 nan 0.000 0.459 498 S N 5.040 120.506 115.700 -0.390 0.000 2.537 498 S HA 0.107 4.622 4.470 0.074 0.000 0.286 498 S C -1.509 173.059 174.600 -0.055 0.000 1.299 498 S CA -1.211 56.843 58.200 -0.242 0.000 1.067 498 S CB 0.632 63.619 63.200 -0.355 0.000 0.864 498 S HN 0.543 nan 8.310 nan 0.000 0.494 499 P HA -0.101 nan 4.420 nan 0.000 0.219 499 P C 1.388 178.736 177.300 0.081 0.000 1.146 499 P CA 1.195 64.316 63.100 0.036 0.000 0.808 499 P CB -0.155 31.559 31.700 0.023 0.000 0.779 500 S N -2.418 113.371 115.700 0.149 0.000 2.515 500 S HA -0.044 4.470 4.470 0.074 0.000 0.231 500 S C 1.422 176.171 174.600 0.248 0.000 0.987 500 S CA 0.544 58.858 58.200 0.189 0.000 0.936 500 S CB -1.228 62.112 63.200 0.234 0.000 0.766 500 S HN -0.044 nan 8.310 nan 0.000 0.528 501 F N 2.243 122.174 119.950 -0.032 0.000 2.754 501 F HA 0.393 4.964 4.527 0.074 0.000 0.297 501 F C 2.051 177.768 175.800 -0.138 0.000 1.122 501 F CA -0.799 57.175 58.000 -0.043 0.000 1.400 501 F CB -0.697 38.309 39.000 0.010 0.000 1.117 501 F HN 0.354 nan 8.300 nan 0.000 0.587 502 G N 0.444 109.234 108.800 -0.016 0.000 3.397 502 G HA2 0.025 4.029 3.960 0.074 0.000 0.248 502 G HA3 0.025 4.029 3.960 0.074 0.000 0.248 502 G C 0.075 174.546 174.900 -0.715 0.000 1.284 502 G CA 0.153 45.068 45.100 -0.308 0.000 1.570 502 G HN 0.048 nan 8.290 nan 0.000 0.587 503 E N 0.031 119.754 120.200 -0.794 0.000 2.241 503 E HA 0.334 4.729 4.350 0.074 0.000 0.263 503 E C -0.835 175.339 176.600 -0.710 0.000 0.882 503 E CA -0.776 55.227 56.400 -0.663 0.000 0.769 503 E CB 1.457 31.012 29.700 -0.241 0.000 1.185 503 E HN 0.228 nan 8.360 nan 0.000 0.415 504 Y N 2.695 122.785 120.300 -0.349 0.000 2.471 504 Y HA 0.182 4.776 4.550 0.074 0.000 0.249 504 Y C 0.692 176.328 175.900 -0.440 0.000 1.116 504 Y CA -0.131 57.687 58.100 -0.471 0.000 1.240 504 Y CB 0.398 38.407 38.460 -0.752 0.000 1.251 504 Y HN 0.432 nan 8.280 nan 0.000 0.527 505 Y N -1.280 119.113 120.300 0.154 0.000 2.483 505 Y HA 0.090 4.685 4.550 0.075 0.000 0.258 505 Y C 2.390 178.350 175.900 0.099 0.000 1.083 505 Y CA 0.159 58.339 58.100 0.133 0.000 1.283 505 Y CB -0.393 38.151 38.460 0.140 0.000 1.178 505 Y HN 0.057 nan 8.280 nan 0.000 0.515 506 S N -0.905 114.921 115.700 0.210 0.000 2.406 506 S HA -0.160 4.355 4.470 0.074 0.000 0.228 506 S C 1.587 176.229 174.600 0.070 0.000 1.020 506 S CA 1.221 59.513 58.200 0.154 0.000 0.965 506 S CB -0.697 62.592 63.200 0.149 0.000 0.798 506 S HN 0.515 nan 8.310 nan 0.000 0.488 507 H N 2.504 121.482 119.070 -0.155 0.000 2.333 507 H HA 0.056 4.657 4.556 0.075 0.000 0.302 507 H C -0.513 174.616 175.328 -0.332 0.000 1.075 507 H CA 1.497 57.303 56.048 -0.403 0.000 1.348 507 H CB -1.348 27.930 29.762 -0.807 0.000 1.393 507 H HN 0.402 nan 8.280 nan 0.000 0.509 508 P HA -0.192 nan 4.420 nan 0.000 0.215 508 P C 1.656 179.134 177.300 0.297 0.000 1.157 508 P CA 1.578 64.836 63.100 0.262 0.000 0.874 508 P CB -0.146 31.730 31.700 0.294 0.000 0.790 509 R N -0.367 120.255 120.500 0.203 0.000 2.092 509 R HA -0.120 4.264 4.340 0.074 0.000 0.231 509 R C 2.153 178.572 176.300 0.198 0.000 1.119 509 R CA 1.091 57.314 56.100 0.204 0.000 0.970 509 R CB -1.012 29.373 30.300 0.142 0.000 0.864 509 R HN 0.083 nan 8.270 nan 0.000 0.440 510 L N 0.438 121.724 121.223 0.106 0.000 2.046 510 L HA -0.122 4.263 4.340 0.074 0.000 0.208 510 L C 1.988 178.918 176.870 0.101 0.000 1.077 510 L CA 1.734 56.605 54.840 0.052 0.000 0.747 510 L CB -0.715 41.300 42.059 -0.074 0.000 0.896 510 L HN 0.230 nan 8.230 nan 0.000 0.432 511 F N -0.741 119.243 119.950 0.057 0.000 2.102 511 F HA -0.266 4.306 4.527 0.075 0.000 0.298 511 F C 2.316 178.128 175.800 0.021 0.000 1.105 511 F CA 2.122 60.136 58.000 0.024 0.000 1.239 511 F CB -0.586 38.463 39.000 0.081 0.000 0.991 511 F HN 0.384 nan 8.300 nan 0.000 0.474 512 W N 1.280 122.559 121.300 -0.035 0.000 2.335 512 W HA -0.237 4.467 4.660 0.074 0.000 0.311 512 W C 1.715 178.113 176.519 -0.202 0.000 1.213 512 W CA 1.701 58.974 57.345 -0.120 0.000 1.274 512 W CB -0.629 28.845 29.460 0.024 0.000 1.148 512 W HN 0.071 nan 8.180 nan 0.000 0.498 513 L N 1.090 122.274 121.223 -0.065 0.000 2.275 513 L HA -0.158 4.227 4.340 0.074 0.000 0.215 513 L C 2.249 178.948 176.870 -0.285 0.000 1.119 513 L CA 1.134 55.856 54.840 -0.198 0.000 0.790 513 L CB -0.681 41.370 42.059 -0.014 0.000 0.919 513 L HN -0.132 nan 8.230 nan 0.000 0.443 514 S N -1.428 114.087 115.700 -0.308 0.000 2.593 514 S HA 0.066 4.580 4.470 0.074 0.000 0.217 514 S C 0.660 174.995 174.600 -0.442 0.000 0.966 514 S CA 0.004 58.016 58.200 -0.313 0.000 0.914 514 S CB 0.013 63.064 63.200 -0.249 0.000 0.776 514 S HN 0.301 nan 8.310 nan 0.000 0.523 515 Q N 2.282 121.720 119.800 -0.603 0.000 2.260 515 Q HA 0.295 4.680 4.340 0.074 0.000 0.242 515 Q C 0.595 176.221 176.000 -0.623 0.000 0.932 515 Q CA -0.139 55.267 55.803 -0.662 0.000 0.891 515 Q CB 0.488 28.767 28.738 -0.766 0.000 1.222 515 Q HN 0.418 nan 8.270 nan 0.000 0.453 516 T N -1.818 112.330 114.554 -0.677 0.000 2.766 516 T HA 0.145 4.539 4.350 0.074 0.000 0.295 516 T C -1.744 172.498 174.700 -0.764 0.000 1.024 516 T CA -1.307 60.361 62.100 -0.720 0.000 1.018 516 T CB 0.324 68.554 68.868 -1.064 0.000 1.002 516 T HN 0.216 nan 8.240 nan 0.000 0.532 517 P HA -0.058 nan 4.420 nan 0.000 0.215 517 P C 1.442 178.498 177.300 -0.405 0.000 1.157 517 P CA 1.171 64.035 63.100 -0.393 0.000 0.868 517 P CB -0.283 31.310 31.700 -0.179 0.000 0.788 518 F N -0.145 119.589 119.950 -0.360 0.000 2.325 518 F HA 0.044 4.615 4.527 0.074 0.000 0.299 518 F C 1.841 177.231 175.800 -0.683 0.000 1.090 518 F CA 0.831 58.540 58.000 -0.485 0.000 1.392 518 F CB -1.619 37.091 39.000 -0.483 0.000 1.053 518 F HN -0.084 nan 8.300 nan 0.000 0.521 519 E N 0.474 120.024 120.200 -1.083 0.000 2.106 519 E HA -0.187 4.208 4.350 0.074 0.000 0.192 519 E C 2.216 178.592 176.600 -0.373 0.000 0.984 519 E CA 1.243 57.258 56.400 -0.641 0.000 0.806 519 E CB -0.211 29.093 29.700 -0.661 0.000 0.750 519 E HN 0.619 nan 8.360 nan 0.000 0.458 520 Q N 0.262 119.770 119.800 -0.486 0.000 2.084 520 Q HA -0.164 4.220 4.340 0.074 0.000 0.202 520 Q C 2.280 178.288 176.000 0.013 0.000 0.978 520 Q CA 0.989 56.544 55.803 -0.412 0.000 0.844 520 Q CB -0.149 28.049 28.738 -0.900 0.000 0.898 520 Q HN 0.130 nan 8.270 nan 0.000 0.426 521 R N 0.377 120.850 120.500 -0.045 0.000 2.091 521 R HA -0.186 4.198 4.340 0.074 0.000 0.238 521 R C 1.754 178.212 176.300 0.263 0.000 1.136 521 R CA 1.719 57.891 56.100 0.120 0.000 0.959 521 R CB -0.231 30.114 30.300 0.074 0.000 0.856 521 R HN 0.505 nan 8.270 nan 0.000 0.437 522 H N -0.335 118.815 119.070 0.135 0.000 2.387 522 H HA -0.090 4.510 4.556 0.074 0.000 0.299 522 H C 2.234 177.666 175.328 0.173 0.000 1.090 522 H CA 1.329 57.472 56.048 0.158 0.000 1.332 522 H CB 0.004 29.863 29.762 0.162 0.000 1.386 522 H HN 0.235 nan 8.280 nan 0.000 0.516 523 I N 0.122 120.892 120.570 0.333 0.000 2.179 523 I HA -0.252 3.962 4.170 0.074 0.000 0.242 523 I C 2.349 178.735 176.117 0.447 0.000 1.088 523 I CA 0.774 62.306 61.300 0.386 0.000 1.357 523 I CB -0.189 38.130 38.000 0.532 0.000 1.051 523 I HN 0.071 nan 8.210 nan 0.000 0.409 524 V N 0.989 121.164 119.914 0.435 0.000 2.287 524 V HA -0.325 3.840 4.120 0.074 0.000 0.248 524 V C 2.050 178.315 176.094 0.285 0.000 1.053 524 V CA 2.161 64.671 62.300 0.350 0.000 1.027 524 V CB -0.694 31.299 31.823 0.282 0.000 0.646 524 V HN 0.425 nan 8.190 nan 0.000 0.447 525 D N 0.350 120.899 120.400 0.247 0.000 2.178 525 D HA -0.091 4.593 4.640 0.074 0.000 0.201 525 D C 2.157 178.526 176.300 0.114 0.000 0.980 525 D CA 1.486 55.598 54.000 0.187 0.000 0.842 525 D CB -0.604 40.312 40.800 0.193 0.000 0.948 525 D HN 0.479 nan 8.370 nan 0.000 0.472 526 G N 0.260 109.104 108.800 0.074 0.000 2.453 526 G HA2 -0.257 3.747 3.960 0.074 0.000 0.215 526 G HA3 -0.257 3.747 3.960 0.074 0.000 0.215 526 G C 1.446 176.325 174.900 -0.036 0.000 1.201 526 G CA 0.244 45.293 45.100 -0.086 0.000 0.784 526 G HN 0.154 nan 8.290 nan 0.000 0.545 527 F N 1.946 121.925 119.950 0.049 0.000 2.120 527 F HA -0.121 4.450 4.527 0.074 0.000 0.300 527 F C 3.193 178.905 175.800 -0.147 0.000 1.095 527 F CA 1.721 59.678 58.000 -0.072 0.000 1.249 527 F CB -0.416 38.554 39.000 -0.049 0.000 0.995 527 F HN 0.099 nan 8.300 nan 0.000 0.480 528 S N -0.186 115.602 115.700 0.146 0.000 2.368 528 S HA -0.198 4.317 4.470 0.074 0.000 0.224 528 S C 1.868 176.479 174.600 0.017 0.000 1.029 528 S CA 1.147 59.380 58.200 0.055 0.000 0.988 528 S CB -0.886 62.368 63.200 0.089 0.000 0.838 528 S HN 0.394 nan 8.310 nan 0.000 0.462 529 F N 2.729 122.633 119.950 -0.077 0.000 2.069 529 F HA -0.164 4.407 4.527 0.074 0.000 0.298 529 F C 2.418 178.146 175.800 -0.119 0.000 1.113 529 F CA 1.681 59.623 58.000 -0.096 0.000 1.214 529 F CB -0.285 38.590 39.000 -0.208 0.000 0.978 529 F HN 0.130 nan 8.300 nan 0.000 0.474 530 E N 0.593 120.718 120.200 -0.125 0.000 2.038 530 E HA -0.237 4.158 4.350 0.074 0.000 0.195 530 E C 2.353 178.718 176.600 -0.392 0.000 1.000 530 E CA 1.801 58.087 56.400 -0.189 0.000 0.803 530 E CB -0.609 29.125 29.700 0.056 0.000 0.750 530 E HN 0.487 nan 8.360 nan 0.000 0.448 531 L N 1.379 122.289 121.223 -0.522 0.000 2.191 531 L HA -0.136 4.249 4.340 0.074 0.000 0.212 531 L C 2.674 179.367 176.870 -0.295 0.000 1.103 531 L CA 1.124 55.660 54.840 -0.507 0.000 0.769 531 L CB -0.473 41.324 42.059 -0.437 0.000 0.908 531 L HN 0.147 nan 8.230 nan 0.000 0.438 532 S N -0.902 114.637 115.700 -0.268 0.000 2.515 532 S HA -0.073 4.441 4.470 0.074 0.000 0.231 532 S C 1.642 176.119 174.600 -0.206 0.000 0.987 532 S CA 0.467 58.544 58.200 -0.206 0.000 0.936 532 S CB -0.074 63.016 63.200 -0.184 0.000 0.766 532 S HN 0.292 nan 8.310 nan 0.000 0.528 533 K N 1.241 121.494 120.400 -0.244 0.000 2.374 533 K HA 0.335 4.699 4.320 0.074 0.000 0.196 533 K C -0.187 176.398 176.600 -0.025 0.000 1.023 533 K CA -0.018 56.185 56.287 -0.139 0.000 1.103 533 K CB 0.330 32.739 32.500 -0.151 0.000 0.848 533 K HN 0.306 nan 8.250 nan 0.000 0.528 534 V N 2.273 122.150 119.914 -0.062 0.000 2.408 534 V HA 0.003 4.167 4.120 0.074 0.000 0.267 534 V C 1.798 177.872 176.094 -0.034 0.000 1.047 534 V CA -0.088 62.202 62.300 -0.017 0.000 0.937 534 V CB 1.209 32.994 31.823 -0.063 0.000 0.999 534 V HN -0.114 nan 8.190 nan 0.000 0.472 535 V N 5.389 125.307 119.914 0.007 0.000 2.307 535 V HA -0.106 4.058 4.120 0.074 0.000 0.245 535 V C 1.352 177.425 176.094 -0.035 0.000 1.045 535 V CA 1.483 63.784 62.300 0.002 0.000 1.024 535 V CB -0.411 31.433 31.823 0.035 0.000 0.651 535 V HN 0.789 nan 8.190 nan 0.000 0.449 536 R N 1.084 121.535 120.500 -0.081 0.000 2.288 536 R HA 0.163 4.547 4.340 0.074 0.000 0.330 536 R C -1.679 174.477 176.300 -0.240 0.000 1.069 536 R CA -1.346 54.666 56.100 -0.146 0.000 0.941 536 R CB 0.372 30.526 30.300 -0.244 0.000 0.998 536 R HN 0.287 nan 8.270 nan 0.000 0.452 537 P HA -0.212 nan 4.420 nan 0.000 0.216 537 P C 0.800 178.059 177.300 -0.068 0.000 1.150 537 P CA 1.216 64.275 63.100 -0.067 0.000 0.837 537 P CB -0.069 31.631 31.700 0.001 0.000 0.786 538 Y N -1.131 119.169 120.300 -0.000 0.000 2.333 538 Y HA -0.103 4.491 4.550 0.074 0.000 0.290 538 Y C 2.032 177.937 175.900 0.009 0.000 1.144 538 Y CA 0.682 58.783 58.100 0.001 0.000 1.228 538 Y CB -1.859 36.603 38.460 0.002 0.000 0.985 538 Y HN -0.119 nan 8.280 nan 0.000 0.542 539 I N 0.789 120.975 120.570 -0.641 0.000 2.252 539 I HA -0.252 3.962 4.170 0.074 0.000 0.245 539 I C 2.577 178.618 176.117 -0.127 0.000 1.102 539 I CA 1.412 62.497 61.300 -0.358 0.000 1.385 539 I CB -0.409 37.360 38.000 -0.384 0.000 1.064 539 I HN 0.218 nan 8.210 nan 0.000 0.414 540 R N 0.845 121.254 120.500 -0.152 0.000 2.080 540 R HA -0.192 4.193 4.340 0.074 0.000 0.236 540 R C 2.172 178.427 176.300 -0.075 0.000 1.137 540 R CA 1.614 57.640 56.100 -0.125 0.000 0.943 540 R CB -0.474 29.748 30.300 -0.129 0.000 0.846 540 R HN 0.465 nan 8.270 nan 0.000 0.431 541 E N 0.533 120.711 120.200 -0.038 0.000 2.058 541 E HA -0.210 4.184 4.350 0.074 0.000 0.194 541 E C 2.173 178.780 176.600 0.012 0.000 0.997 541 E CA 1.208 57.604 56.400 -0.006 0.000 0.801 541 E CB -0.124 29.595 29.700 0.032 0.000 0.746 541 E HN 0.312 nan 8.360 nan 0.000 0.450 542 R N 0.396 120.922 120.500 0.044 0.000 2.096 542 R HA -0.107 4.277 4.340 0.074 0.000 0.235 542 R C 2.437 178.765 176.300 0.047 0.000 1.127 542 R CA 1.013 57.150 56.100 0.061 0.000 0.968 542 R CB -0.268 30.091 30.300 0.097 0.000 0.861 542 R HN 0.043 nan 8.270 nan 0.000 0.440 543 V N 0.245 120.183 119.914 0.040 0.000 2.427 543 V HA -0.185 3.980 4.120 0.074 0.000 0.248 543 V C 2.223 178.297 176.094 -0.033 0.000 1.051 543 V CA 1.408 63.743 62.300 0.057 0.000 1.048 543 V CB -0.175 31.703 31.823 0.091 0.000 0.666 543 V HN 0.130 nan 8.190 nan 0.000 0.456 544 V N 0.406 120.277 119.914 -0.071 0.000 2.358 544 V HA -0.284 3.881 4.120 0.074 0.000 0.246 544 V C 2.310 178.359 176.094 -0.074 0.000 1.047 544 V CA 2.400 64.633 62.300 -0.113 0.000 1.035 544 V CB -0.633 31.128 31.823 -0.104 0.000 0.658 544 V HN 0.641 nan 8.190 nan 0.000 0.452 545 D N -0.632 119.757 120.400 -0.017 0.000 2.123 545 D HA -0.209 4.476 4.640 0.074 0.000 0.196 545 D C 2.264 178.631 176.300 0.112 0.000 0.992 545 D CA 1.270 55.289 54.000 0.032 0.000 0.833 545 D CB -0.036 40.804 40.800 0.067 0.000 0.954 545 D HN 0.315 nan 8.370 nan 0.000 0.455 546 Q N -0.244 119.607 119.800 0.086 0.000 2.124 546 Q HA -0.086 4.298 4.340 0.074 0.000 0.202 546 Q C 2.544 178.573 176.000 0.048 0.000 0.977 546 Q CA 0.615 56.484 55.803 0.111 0.000 0.850 546 Q CB -0.257 28.549 28.738 0.114 0.000 0.901 546 Q HN 0.467 nan 8.270 nan 0.000 0.429 547 L N 0.037 121.218 121.223 -0.070 0.000 2.131 547 L HA -0.134 4.251 4.340 0.074 0.000 0.210 547 L C 2.327 179.077 176.870 -0.200 0.000 1.092 547 L CA 0.915 55.638 54.840 -0.195 0.000 0.759 547 L CB -0.635 41.206 42.059 -0.362 0.000 0.903 547 L HN 0.103 nan 8.230 nan 0.000 0.435 548 A N -0.718 122.000 122.820 -0.169 0.000 2.070 548 A HA -0.213 4.151 4.320 0.074 0.000 0.220 548 A C 1.759 179.130 177.584 -0.356 0.000 1.159 548 A CA 1.366 53.258 52.037 -0.242 0.000 0.656 548 A CB -0.700 18.163 19.000 -0.229 0.000 0.800 548 A HN 0.459 nan 8.150 nan 0.000 0.453 549 H N -1.306 117.548 119.070 -0.361 0.000 2.544 549 H HA 0.256 4.857 4.556 0.075 0.000 0.269 549 H C 1.635 176.691 175.328 -0.453 0.000 0.970 549 H CA 1.045 56.751 56.048 -0.571 0.000 1.219 549 H CB 0.093 29.069 29.762 -1.309 0.000 1.421 549 H HN 0.499 nan 8.280 nan 0.000 0.555 550 I N -1.012 119.450 120.570 -0.181 0.000 2.499 550 I HA 0.054 4.269 4.170 0.074 0.000 0.243 550 I C -0.109 175.934 176.117 -0.124 0.000 1.085 550 I CA 0.595 61.857 61.300 -0.063 0.000 1.422 550 I CB 0.593 38.585 38.000 -0.014 0.000 1.165 550 I HN 0.098 nan 8.210 nan 0.000 0.440 551 D N -1.085 119.174 120.400 -0.235 0.000 2.804 551 D HA 0.220 4.904 4.640 0.074 0.000 0.209 551 D C 0.113 176.252 176.300 -0.268 0.000 1.314 551 D CA -0.396 53.451 54.000 -0.255 0.000 0.894 551 D CB 1.302 41.845 40.800 -0.427 0.000 1.615 551 D HN -0.198 nan 8.370 nan 0.000 0.571 552 L N 2.425 123.550 121.223 -0.163 0.000 2.141 552 L HA 0.010 4.395 4.340 0.074 0.000 0.209 552 L C 2.235 179.032 176.870 -0.122 0.000 1.094 552 L CA 1.717 56.472 54.840 -0.142 0.000 0.763 552 L CB -0.931 41.069 42.059 -0.098 0.000 0.908 552 L HN 0.629 nan 8.230 nan 0.000 0.437 553 T N -0.414 114.098 114.554 -0.071 0.000 2.746 553 T HA -0.186 4.208 4.350 0.074 0.000 0.267 553 T C 1.855 176.518 174.700 -0.063 0.000 1.039 553 T CA 1.482 63.586 62.100 0.007 0.000 1.142 553 T CB -0.320 68.645 68.868 0.162 0.000 0.866 553 T HN 0.216 nan 8.240 nan 0.000 0.444 554 L N 1.636 122.668 121.223 -0.318 0.000 2.017 554 L HA 0.069 4.454 4.340 0.074 0.000 0.208 554 L C 2.599 179.247 176.870 -0.372 0.000 1.073 554 L CA 2.071 56.546 54.840 -0.608 0.000 0.745 554 L CB -1.128 40.111 42.059 -1.367 0.000 0.894 554 L HN 0.200 nan 8.230 nan 0.000 0.432 555 A N -0.911 121.706 122.820 -0.340 0.000 1.883 555 A HA -0.271 4.094 4.320 0.074 0.000 0.217 555 A C 2.216 179.699 177.584 -0.169 0.000 1.186 555 A CA 2.025 53.907 52.037 -0.258 0.000 0.624 555 A CB -0.708 18.159 19.000 -0.223 0.000 0.822 555 A HN 0.705 nan 8.150 nan 0.000 0.444 556 Q N -0.920 118.806 119.800 -0.123 0.000 2.119 556 Q HA -0.062 4.322 4.340 0.074 0.000 0.201 556 Q C 2.404 178.377 176.000 -0.045 0.000 0.972 556 Q CA 1.174 56.935 55.803 -0.071 0.000 0.847 556 Q CB -0.331 28.380 28.738 -0.045 0.000 0.903 556 Q HN 0.696 nan 8.270 nan 0.000 0.433 557 A N 0.353 123.152 122.820 -0.034 0.000 1.930 557 A HA -0.101 4.264 4.320 0.074 0.000 0.217 557 A C 2.292 179.876 177.584 0.001 0.000 1.175 557 A CA 1.088 53.133 52.037 0.013 0.000 0.627 557 A CB -0.433 18.609 19.000 0.071 0.000 0.815 557 A HN 0.189 nan 8.150 nan 0.000 0.443 558 V N -0.203 119.681 119.914 -0.049 0.000 2.379 558 V HA -0.171 3.994 4.120 0.074 0.000 0.245 558 V C 3.041 179.100 176.094 -0.059 0.000 1.044 558 V CA 1.670 63.938 62.300 -0.054 0.000 1.036 558 V CB -1.231 30.503 31.823 -0.147 0.000 0.664 558 V HN 0.589 nan 8.190 nan 0.000 0.453 559 A N 0.230 123.004 122.820 -0.076 0.000 1.883 559 A HA -0.320 4.045 4.320 0.074 0.000 0.217 559 A C 2.322 179.886 177.584 -0.033 0.000 1.186 559 A CA 2.488 54.489 52.037 -0.061 0.000 0.624 559 A CB -0.563 18.398 19.000 -0.065 0.000 0.822 559 A HN 0.540 nan 8.150 nan 0.000 0.444 560 K N -0.400 119.988 120.400 -0.020 0.000 2.032 560 K HA -0.215 4.149 4.320 0.074 0.000 0.209 560 K C 1.629 178.233 176.600 0.006 0.000 1.048 560 K CA 1.787 58.073 56.287 -0.002 0.000 0.927 560 K CB -0.241 32.265 32.500 0.009 0.000 0.712 560 K HN 0.448 nan 8.250 nan 0.000 0.441 561 N N 0.645 119.353 118.700 0.013 0.000 2.364 561 N HA -0.131 4.654 4.740 0.074 0.000 0.183 561 N C 1.287 176.798 175.510 0.003 0.000 1.022 561 N CA 0.969 54.033 53.050 0.023 0.000 0.883 561 N CB 0.008 38.521 38.487 0.043 0.000 0.965 561 N HN 0.296 nan 8.380 nan 0.000 0.438 562 L N -0.713 120.499 121.223 -0.018 0.000 2.607 562 L HA 0.244 4.628 4.340 0.074 0.000 0.228 562 L C 0.935 177.791 176.870 -0.024 0.000 1.123 562 L CA -0.087 54.734 54.840 -0.032 0.000 0.890 562 L CB -0.158 41.866 42.059 -0.058 0.000 1.103 562 L HN 0.093 nan 8.230 nan 0.000 0.468 563 G N 1.550 110.342 108.800 -0.013 0.000 2.221 563 G HA2 -0.293 3.712 3.960 0.074 0.000 0.265 563 G HA3 -0.293 3.712 3.960 0.074 0.000 0.265 563 G C 0.060 174.952 174.900 -0.014 0.000 1.041 563 G CA 0.166 45.260 45.100 -0.009 0.000 0.807 563 G HN 0.333 nan 8.290 nan 0.000 0.502 564 I N -0.451 120.106 120.570 -0.022 0.000 2.498 564 I HA 0.535 4.750 4.170 0.074 0.000 0.301 564 I C 0.241 176.343 176.117 -0.025 0.000 0.984 564 I CA -0.883 60.402 61.300 -0.025 0.000 1.204 564 I CB 1.829 39.808 38.000 -0.036 0.000 1.362 564 I HN 0.143 nan 8.210 nan 0.000 0.471 565 E N 5.599 125.786 120.200 -0.022 0.000 2.145 565 E HA 0.419 4.814 4.350 0.074 0.000 0.270 565 E C -1.186 175.397 176.600 -0.028 0.000 0.906 565 E CA -0.529 55.858 56.400 -0.022 0.000 0.761 565 E CB 1.054 30.745 29.700 -0.015 0.000 1.116 565 E HN 0.397 nan 8.360 nan 0.000 0.408 566 L N 4.145 125.346 121.223 -0.037 0.000 2.453 566 L HA 0.201 4.585 4.340 0.074 0.000 0.272 566 L C 0.982 177.829 176.870 -0.037 0.000 1.182 566 L CA -0.309 54.505 54.840 -0.045 0.000 0.858 566 L CB 0.401 42.425 42.059 -0.059 0.000 1.120 566 L HN 0.718 nan 8.230 nan 0.000 0.474 567 T N -1.902 112.631 114.554 -0.036 0.000 2.698 567 T HA 0.035 4.430 4.350 0.074 0.000 0.295 567 T C 0.728 175.407 174.700 -0.035 0.000 1.007 567 T CA -0.631 61.451 62.100 -0.029 0.000 0.980 567 T CB 0.897 69.750 68.868 -0.024 0.000 1.036 567 T HN 0.502 nan 8.240 nan 0.000 0.526 568 D N 0.078 120.460 120.400 -0.029 0.000 2.144 568 D HA -0.019 4.665 4.640 0.074 0.000 0.200 568 D C 1.746 178.023 176.300 -0.039 0.000 0.978 568 D CA 0.934 54.916 54.000 -0.031 0.000 0.833 568 D CB -0.355 40.431 40.800 -0.023 0.000 0.961 568 D HN 0.566 nan 8.370 nan 0.000 0.470 569 D N 0.234 120.611 120.400 -0.038 0.000 2.117 569 D HA -0.115 4.570 4.640 0.074 0.000 0.197 569 D C 2.018 178.273 176.300 -0.074 0.000 0.987 569 D CA 0.785 54.758 54.000 -0.045 0.000 0.829 569 D CB -0.179 40.602 40.800 -0.031 0.000 0.961 569 D HN 0.308 nan 8.370 nan 0.000 0.460 570 Q N -0.308 119.444 119.800 -0.080 0.000 2.119 570 Q HA -0.005 4.379 4.340 0.074 0.000 0.201 570 Q C 2.210 178.131 176.000 -0.131 0.000 0.972 570 Q CA 0.579 56.308 55.803 -0.123 0.000 0.847 570 Q CB -0.004 28.674 28.738 -0.100 0.000 0.903 570 Q HN 0.314 nan 8.270 nan 0.000 0.433 571 L N 0.691 121.859 121.223 -0.092 0.000 2.376 571 L HA -0.091 4.293 4.340 0.074 0.000 0.219 571 L C 1.069 177.891 176.870 -0.080 0.000 1.133 571 L CA 0.380 55.171 54.840 -0.082 0.000 0.816 571 L CB -0.106 41.919 42.059 -0.057 0.000 0.933 571 L HN 0.197 nan 8.230 nan 0.000 0.449 572 N N 0.016 118.667 118.700 -0.083 0.000 2.235 572 N HA 0.234 5.018 4.740 0.074 0.000 0.209 572 N C 0.329 175.781 175.510 -0.096 0.000 1.122 572 N CA 0.047 53.053 53.050 -0.073 0.000 0.845 572 N CB 0.579 39.035 38.487 -0.051 0.000 1.004 572 N HN 0.244 nan 8.380 nan 0.000 0.499 573 I N 2.035 122.513 120.570 -0.154 0.000 2.587 573 I HA -0.051 4.164 4.170 0.074 0.000 0.284 573 I C 0.402 176.430 176.117 -0.148 0.000 1.134 573 I CA 0.269 61.445 61.300 -0.206 0.000 1.410 573 I CB 0.079 37.824 38.000 -0.424 0.000 1.392 573 I HN -0.137 nan 8.210 nan 0.000 0.545 574 T N 8.178 122.678 114.554 -0.090 0.000 2.928 574 T HA 0.127 4.521 4.350 0.074 0.000 0.305 574 T C -1.952 172.716 174.700 -0.053 0.000 1.035 574 T CA -0.891 61.178 62.100 -0.051 0.000 1.145 574 T CB -0.082 68.778 68.868 -0.013 0.000 0.963 574 T HN 0.426 nan 8.240 nan 0.000 0.545 575 P HA 0.234 nan 4.420 nan 0.000 0.269 575 P C -2.508 174.810 177.300 0.030 0.000 1.215 575 P CA -1.454 61.635 63.100 -0.017 0.000 0.780 575 P CB -0.518 31.180 31.700 -0.002 0.000 0.898 576 P HA 0.242 nan 4.420 nan 0.000 0.272 576 P C -2.390 174.963 177.300 0.088 0.000 1.240 576 P CA -1.298 61.872 63.100 0.117 0.000 0.791 576 P CB -1.274 30.537 31.700 0.185 0.000 0.978 577 P HA 0.141 nan 4.420 nan 0.000 0.272 577 P C -0.347 176.997 177.300 0.073 0.000 1.230 577 P CA 0.063 63.207 63.100 0.074 0.000 0.788 577 P CB 0.218 31.965 31.700 0.077 0.000 0.949 578 D N -0.329 120.108 120.400 0.061 0.000 2.361 578 D HA 0.072 4.756 4.640 0.074 0.000 0.239 578 D C -0.149 176.189 176.300 0.064 0.000 1.200 578 D CA 0.065 54.095 54.000 0.051 0.000 0.915 578 D CB 0.361 41.188 40.800 0.046 0.000 1.170 578 D HN -0.048 nan 8.370 nan 0.000 0.444 579 V N 2.555 122.494 119.914 0.042 0.000 2.353 579 V HA 0.050 4.215 4.120 0.074 0.000 0.264 579 V C 0.219 176.398 176.094 0.141 0.000 1.049 579 V CA -0.379 61.970 62.300 0.081 0.000 0.896 579 V CB -0.466 31.305 31.823 -0.087 0.000 1.025 579 V HN 0.609 nan 8.190 nan 0.000 0.475 580 N N 4.534 123.338 118.700 0.172 0.000 2.714 580 N HA -0.226 4.558 4.740 0.074 0.000 0.252 580 N C 1.145 176.712 175.510 0.095 0.000 1.014 580 N CA 0.904 54.040 53.050 0.142 0.000 0.735 580 N CB -0.882 37.727 38.487 0.202 0.000 0.924 580 N HN 1.259 nan 8.380 nan 0.000 0.540 581 G N -1.761 107.082 108.800 0.072 0.000 2.179 581 G HA2 -0.333 3.671 3.960 0.074 0.000 0.260 581 G HA3 -0.333 3.671 3.960 0.074 0.000 0.260 581 G C 0.112 175.040 174.900 0.048 0.000 0.977 581 G CA 0.346 45.478 45.100 0.052 0.000 0.641 581 G HN 0.411 nan 8.290 nan 0.000 0.533 582 L N 0.093 121.347 121.223 0.052 0.000 2.290 582 L HA 0.409 4.794 4.340 0.074 0.000 0.284 582 L C 1.328 178.211 176.870 0.023 0.000 1.078 582 L CA -0.233 54.629 54.840 0.038 0.000 0.815 582 L CB 1.267 43.350 42.059 0.040 0.000 1.162 582 L HN 0.076 nan 8.230 nan 0.000 0.435 583 K N 3.225 123.634 120.400 0.016 0.000 2.372 583 K HA 0.135 4.499 4.320 0.074 0.000 0.200 583 K C -0.672 175.924 176.600 -0.007 0.000 1.022 583 K CA -0.002 56.291 56.287 0.009 0.000 1.125 583 K CB 0.356 32.861 32.500 0.008 0.000 0.855 583 K HN 0.539 nan 8.250 nan 0.000 0.524 584 K N -0.817 119.576 120.400 -0.012 0.000 2.991 584 K HA 0.151 4.516 4.320 0.074 0.000 0.309 584 K C -2.283 174.306 176.600 -0.018 0.000 1.122 584 K CA -0.949 55.317 56.287 -0.035 0.000 0.879 584 K CB 0.731 33.194 32.500 -0.061 0.000 1.418 584 K HN -0.204 nan 8.250 nan 0.000 0.369 585 D N 2.166 122.552 120.400 -0.023 0.000 2.478 585 D HA 0.306 4.991 4.640 0.074 0.000 0.240 585 D C -2.174 174.122 176.300 -0.007 0.000 1.364 585 D CA -1.970 52.036 54.000 0.010 0.000 0.987 585 D CB 2.238 43.068 40.800 0.050 0.000 1.328 585 D HN 0.269 nan 8.370 nan 0.000 0.584 586 P HA -0.089 nan 4.420 nan 0.000 0.222 586 P C 1.274 178.579 177.300 0.009 0.000 1.147 586 P CA 0.775 63.861 63.100 -0.024 0.000 0.790 586 P CB 0.198 31.891 31.700 -0.011 0.000 0.780 587 S N -1.114 114.624 115.700 0.063 0.000 2.515 587 S HA -0.021 4.493 4.470 0.074 0.000 0.231 587 S C 1.677 176.377 174.600 0.167 0.000 0.987 587 S CA 0.604 58.877 58.200 0.123 0.000 0.936 587 S CB -1.363 61.934 63.200 0.161 0.000 0.766 587 S HN 0.123 nan 8.310 nan 0.000 0.528 588 L N 1.173 122.463 121.223 0.112 0.000 2.418 588 L HA 0.199 4.583 4.340 0.074 0.000 0.218 588 L C 1.472 178.273 176.870 -0.115 0.000 1.125 588 L CA 0.165 55.075 54.840 0.116 0.000 0.835 588 L CB -0.305 41.813 42.059 0.098 0.000 0.953 588 L HN 0.333 nan 8.230 nan 0.000 0.454 589 S N -0.425 115.179 115.700 -0.161 0.000 2.586 589 S HA 0.296 4.811 4.470 0.074 0.000 0.274 589 S C 1.092 175.581 174.600 -0.185 0.000 1.281 589 S CA -0.634 57.409 58.200 -0.261 0.000 1.035 589 S CB 1.369 64.417 63.200 -0.254 0.000 0.962 589 S HN 0.156 nan 8.310 nan 0.000 0.512 590 L N 3.096 124.130 121.223 -0.316 0.000 2.093 590 L HA -0.005 4.380 4.340 0.074 0.000 0.208 590 L C 0.802 177.401 176.870 -0.451 0.000 1.085 590 L CA 1.203 55.754 54.840 -0.482 0.000 0.755 590 L CB -0.278 41.164 42.059 -1.029 0.000 0.904 590 L HN 0.770 nan 8.230 nan 0.000 0.435 591 Y N -2.403 117.912 120.300 0.025 0.000 2.527 591 Y HA 0.351 4.946 4.550 0.075 0.000 0.247 591 Y C 2.040 177.972 175.900 0.053 0.000 1.138 591 Y CA -0.196 57.963 58.100 0.098 0.000 1.228 591 Y CB -0.460 38.098 38.460 0.163 0.000 1.252 591 Y HN -0.050 nan 8.280 nan 0.000 0.531 592 A N 0.596 123.460 122.820 0.074 0.000 1.933 592 A HA -0.034 4.330 4.320 0.074 0.000 0.218 592 A C 0.896 178.525 177.584 0.074 0.000 1.175 592 A CA 1.089 53.144 52.037 0.029 0.000 0.628 592 A CB -0.673 18.288 19.000 -0.065 0.000 0.814 592 A HN 0.295 nan 8.150 nan 0.000 0.444 593 I N 1.710 122.329 120.570 0.081 0.000 2.328 593 I HA 0.238 4.453 4.170 0.074 0.000 0.287 593 I C -2.284 173.908 176.117 0.126 0.000 1.012 593 I CA -2.329 59.024 61.300 0.088 0.000 1.195 593 I CB 1.458 39.499 38.000 0.069 0.000 1.350 593 I HN 0.054 nan 8.210 nan 0.000 0.464 594 P HA -0.029 nan 4.420 nan 0.000 0.263 594 P C -0.360 177.019 177.300 0.131 0.000 1.175 594 P CA 0.377 63.571 63.100 0.157 0.000 0.761 594 P CB 0.505 32.281 31.700 0.126 0.000 0.794 595 D N 0.638 121.125 120.400 0.145 0.000 2.704 595 D HA 0.066 4.750 4.640 0.074 0.000 0.291 595 D C 0.473 176.834 176.300 0.101 0.000 1.610 595 D CA -0.366 53.700 54.000 0.109 0.000 0.807 595 D CB -0.570 40.291 40.800 0.102 0.000 1.233 595 D HN 0.336 nan 8.370 nan 0.000 0.445 596 G N 0.329 109.199 108.800 0.116 0.000 2.380 596 G HA2 0.329 4.334 3.960 0.074 0.000 0.242 596 G HA3 0.329 4.334 3.960 0.074 0.000 0.242 596 G C -0.607 174.331 174.900 0.063 0.000 1.298 596 G CA 0.085 45.245 45.100 0.099 0.000 0.878 596 G HN 0.151 nan 8.290 nan 0.000 0.542 597 D N 1.299 121.727 120.400 0.048 0.000 2.696 597 D HA 0.205 4.890 4.640 0.074 0.000 0.251 597 D C 1.138 177.451 176.300 0.021 0.000 1.188 597 D CA -0.621 53.395 54.000 0.026 0.000 0.876 597 D CB 1.996 42.805 40.800 0.016 0.000 1.334 597 D HN 0.237 nan 8.370 nan 0.000 0.540 598 V N 2.037 121.957 119.914 0.010 0.000 3.235 598 V HA 0.203 4.368 4.120 0.074 0.000 0.259 598 V C 1.023 177.101 176.094 -0.027 0.000 1.133 598 V CA 0.259 62.560 62.300 0.001 0.000 1.128 598 V CB -0.589 31.230 31.823 -0.006 0.000 0.757 598 V HN 0.374 nan 8.190 nan 0.000 0.469 599 K N 1.265 121.643 120.400 -0.037 0.000 2.484 599 K HA 0.365 4.730 4.320 0.074 0.000 0.280 599 K C 1.247 177.811 176.600 -0.060 0.000 1.013 599 K CA 1.150 57.394 56.287 -0.071 0.000 1.029 599 K CB 0.080 32.542 32.500 -0.062 0.000 0.902 599 K HN 0.752 nan 8.250 nan 0.000 0.481 600 G N 3.019 111.756 108.800 -0.105 0.000 2.199 600 G HA2 -0.229 3.775 3.960 0.074 0.000 0.254 600 G HA3 -0.229 3.775 3.960 0.074 0.000 0.254 600 G C 0.110 175.057 174.900 0.079 0.000 0.982 600 G CA -0.071 45.039 45.100 0.017 0.000 0.632 600 G HN 0.568 nan 8.290 nan 0.000 0.529 601 R N -0.223 120.292 120.500 0.025 0.000 2.652 601 R HA 0.697 5.082 4.340 0.074 0.000 0.271 601 R C 0.122 176.481 176.300 0.098 0.000 1.129 601 R CA -0.037 56.106 56.100 0.073 0.000 1.200 601 R CB 0.805 31.140 30.300 0.058 0.000 1.146 601 R HN 0.717 nan 8.270 nan 0.000 0.581 602 V N 0.248 120.234 119.914 0.121 0.000 2.841 602 V HA 0.449 4.614 4.120 0.074 0.000 0.310 602 V C -1.064 175.097 176.094 0.111 0.000 1.090 602 V CA -0.735 61.651 62.300 0.144 0.000 0.930 602 V CB 2.448 34.378 31.823 0.178 0.000 1.014 602 V HN 0.349 nan 8.190 nan 0.000 0.425 603 V N 5.525 125.500 119.914 0.101 0.000 2.581 603 V HA 0.840 5.004 4.120 0.074 0.000 0.303 603 V C 0.505 176.659 176.094 0.099 0.000 1.041 603 V CA -0.108 62.243 62.300 0.085 0.000 0.907 603 V CB 1.756 33.616 31.823 0.061 0.000 0.994 603 V HN 1.199 nan 8.190 nan 0.000 0.442 604 A N 5.516 128.402 122.820 0.110 0.000 2.301 604 A HA 0.807 5.171 4.320 0.074 0.000 0.298 604 A C -0.537 177.069 177.584 0.037 0.000 1.185 604 A CA -0.343 51.752 52.037 0.096 0.000 0.830 604 A CB 0.184 19.285 19.000 0.169 0.000 1.112 604 A HN 0.758 nan 8.150 nan 0.000 0.508 605 I N 3.547 124.132 120.570 0.025 0.000 2.382 605 I HA 0.199 4.414 4.170 0.074 0.000 0.285 605 I C -0.644 175.488 176.117 0.024 0.000 1.007 605 I CA -0.202 61.113 61.300 0.025 0.000 1.142 605 I CB 1.348 39.373 38.000 0.041 0.000 1.289 605 I HN 0.490 nan 8.210 nan 0.000 0.453 606 L N 7.246 128.472 121.223 0.004 0.000 2.342 606 L HA 0.382 4.767 4.340 0.074 0.000 0.285 606 L C 0.114 177.099 176.870 0.190 0.000 1.095 606 L CA -0.307 54.598 54.840 0.108 0.000 0.843 606 L CB -0.021 41.965 42.059 -0.122 0.000 1.201 606 L HN 0.454 nan 8.230 nan 0.000 0.445 607 L N 3.506 124.875 121.223 0.244 0.000 2.475 607 L HA 0.295 4.680 4.340 0.074 0.000 0.253 607 L C 0.202 177.257 176.870 0.307 0.000 1.198 607 L CA -0.405 54.536 54.840 0.169 0.000 0.814 607 L CB 0.616 42.678 42.059 0.005 0.000 1.134 607 L HN 0.698 nan 8.230 nan 0.000 0.478 608 N N -2.189 116.597 118.700 0.144 0.000 2.629 608 N HA 0.232 5.016 4.740 0.074 0.000 0.279 608 N C -0.498 174.983 175.510 -0.048 0.000 1.344 608 N CA -0.790 52.393 53.050 0.222 0.000 0.789 608 N CB 0.666 39.271 38.487 0.197 0.000 1.508 608 N HN 0.533 nan 8.380 nan 0.000 0.516 609 D N -2.031 118.367 120.400 -0.004 0.000 2.336 609 D HA 0.017 4.701 4.640 0.074 0.000 0.229 609 D C -0.276 175.980 176.300 -0.073 0.000 1.061 609 D CA 0.558 54.484 54.000 -0.124 0.000 0.875 609 D CB -0.066 40.735 40.800 0.001 0.000 0.904 609 D HN 0.678 nan 8.370 nan 0.000 0.525 610 E N 0.190 120.367 120.200 -0.039 0.000 3.832 610 E HA 0.201 4.596 4.350 0.074 0.000 0.250 610 E C -1.339 175.246 176.600 -0.024 0.000 1.215 610 E CA -0.436 55.945 56.400 -0.030 0.000 1.179 610 E CB 0.433 30.126 29.700 -0.012 0.000 1.270 610 E HN -0.098 nan 8.360 nan 0.000 0.405 611 V N 2.083 121.973 119.914 -0.040 0.000 2.694 611 V HA 0.027 4.192 4.120 0.074 0.000 0.306 611 V C 0.805 176.884 176.094 -0.026 0.000 1.054 611 V CA 0.474 62.758 62.300 -0.027 0.000 1.161 611 V CB 0.682 32.483 31.823 -0.036 0.000 0.916 611 V HN 0.446 nan 8.190 nan 0.000 0.490 612 R N 3.849 124.336 120.500 -0.022 0.000 2.309 612 R HA 0.087 4.472 4.340 0.074 0.000 0.331 612 R C 1.624 177.904 176.300 -0.034 0.000 1.116 612 R CA 0.501 56.584 56.100 -0.029 0.000 0.970 612 R CB 0.293 30.573 30.300 -0.034 0.000 1.024 612 R HN 0.979 nan 8.270 nan 0.000 0.472 613 S N 3.230 118.911 115.700 -0.031 0.000 2.400 613 S HA -0.249 4.265 4.470 0.074 0.000 0.232 613 S C 1.947 176.528 174.600 -0.032 0.000 1.025 613 S CA 1.054 59.236 58.200 -0.030 0.000 0.993 613 S CB -0.150 63.034 63.200 -0.026 0.000 0.808 613 S HN 0.691 nan 8.310 nan 0.000 0.478 614 A N 2.176 124.973 122.820 -0.037 0.000 1.933 614 A HA -0.107 4.257 4.320 0.074 0.000 0.218 614 A C 2.003 179.551 177.584 -0.059 0.000 1.175 614 A CA 1.664 53.675 52.037 -0.043 0.000 0.628 614 A CB -0.826 18.148 19.000 -0.045 0.000 0.814 614 A HN 0.508 nan 8.150 nan 0.000 0.444 615 D N -0.463 119.893 120.400 -0.074 0.000 2.097 615 D HA -0.115 4.570 4.640 0.074 0.000 0.197 615 D C 1.874 178.134 176.300 -0.068 0.000 0.984 615 D CA 1.192 55.128 54.000 -0.107 0.000 0.826 615 D CB -0.472 40.253 40.800 -0.124 0.000 0.973 615 D HN 0.304 nan 8.370 nan 0.000 0.460 616 L N 0.638 121.837 121.223 -0.040 0.000 2.012 616 L HA -0.155 4.229 4.340 0.074 0.000 0.210 616 L C 2.246 179.109 176.870 -0.011 0.000 1.073 616 L CA 1.290 56.119 54.840 -0.017 0.000 0.748 616 L CB -0.730 41.320 42.059 -0.015 0.000 0.891 616 L HN 0.015 nan 8.230 nan 0.000 0.431 617 L N -0.434 120.779 121.223 -0.017 0.000 1.990 617 L HA -0.214 4.170 4.340 0.074 0.000 0.213 617 L C 2.523 179.388 176.870 -0.008 0.000 1.072 617 L CA 2.292 57.125 54.840 -0.012 0.000 0.755 617 L CB -0.989 41.059 42.059 -0.017 0.000 0.889 617 L HN 0.319 nan 8.230 nan 0.000 0.432 618 A N -0.555 122.254 122.820 -0.018 0.000 1.877 618 A HA -0.190 4.174 4.320 0.074 0.000 0.216 618 A C 2.249 179.842 177.584 0.015 0.000 1.186 618 A CA 2.072 54.103 52.037 -0.010 0.000 0.620 618 A CB -0.921 18.058 19.000 -0.035 0.000 0.822 618 A HN 0.508 nan 8.150 nan 0.000 0.443 619 I N -0.257 120.323 120.570 0.017 0.000 2.127 619 I HA -0.298 3.917 4.170 0.074 0.000 0.241 619 I C 2.406 178.549 176.117 0.043 0.000 1.075 619 I CA 1.440 62.774 61.300 0.056 0.000 1.334 619 I CB -0.363 37.674 38.000 0.061 0.000 1.040 619 I HN 0.288 nan 8.210 nan 0.000 0.405 620 L N 0.378 121.618 121.223 0.028 0.000 2.141 620 L HA -0.208 4.176 4.340 0.074 0.000 0.209 620 L C 2.614 179.495 176.870 0.018 0.000 1.094 620 L CA 1.237 56.092 54.840 0.024 0.000 0.763 620 L CB -0.556 41.515 42.059 0.020 0.000 0.908 620 L HN 0.292 nan 8.230 nan 0.000 0.437 621 K N 0.550 120.960 120.400 0.015 0.000 2.062 621 K HA -0.139 4.226 4.320 0.074 0.000 0.205 621 K C 2.089 178.696 176.600 0.012 0.000 1.051 621 K CA 1.251 57.544 56.287 0.011 0.000 0.941 621 K CB 0.035 32.541 32.500 0.009 0.000 0.719 621 K HN 0.240 nan 8.250 nan 0.000 0.440 622 A N 1.322 124.154 122.820 0.021 0.000 1.929 622 A HA -0.019 4.346 4.320 0.074 0.000 0.216 622 A C 2.083 179.673 177.584 0.010 0.000 1.176 622 A CA 0.716 52.766 52.037 0.021 0.000 0.628 622 A CB -0.405 18.619 19.000 0.040 0.000 0.816 622 A HN 0.278 nan 8.150 nan 0.000 0.444 623 L N -0.496 120.734 121.223 0.011 0.000 2.046 623 L HA -0.199 4.186 4.340 0.074 0.000 0.208 623 L C 2.661 179.511 176.870 -0.033 0.000 1.077 623 L CA 1.937 56.772 54.840 -0.008 0.000 0.747 623 L CB -0.430 41.632 42.059 0.006 0.000 0.896 623 L HN 0.453 nan 8.230 nan 0.000 0.432 624 K N 0.358 120.748 120.400 -0.018 0.000 2.097 624 K HA -0.143 4.221 4.320 0.074 0.000 0.205 624 K C 2.069 178.653 176.600 -0.028 0.000 1.050 624 K CA 1.169 57.442 56.287 -0.023 0.000 0.938 624 K CB 0.025 32.523 32.500 -0.003 0.000 0.718 624 K HN 0.262 nan 8.250 nan 0.000 0.442 625 A N 1.198 124.008 122.820 -0.017 0.000 2.015 625 A HA -0.081 4.284 4.320 0.074 0.000 0.219 625 A C 1.622 179.190 177.584 -0.026 0.000 1.163 625 A CA 1.176 53.204 52.037 -0.015 0.000 0.646 625 A CB -0.051 18.946 19.000 -0.005 0.000 0.806 625 A HN 0.146 nan 8.150 nan 0.000 0.448 626 K N -1.355 119.023 120.400 -0.036 0.000 2.374 626 K HA 0.193 4.558 4.320 0.074 0.000 0.196 626 K C 0.934 177.489 176.600 -0.076 0.000 1.023 626 K CA 0.644 56.905 56.287 -0.043 0.000 1.103 626 K CB 0.216 32.696 32.500 -0.032 0.000 0.848 626 K HN 0.682 nan 8.250 nan 0.000 0.528 627 G N 1.659 110.396 108.800 -0.105 0.000 2.147 627 G HA2 -0.231 3.773 3.960 0.074 0.000 0.244 627 G HA3 -0.231 3.773 3.960 0.074 0.000 0.244 627 G C 0.121 174.819 174.900 -0.336 0.000 1.005 627 G CA 0.177 45.168 45.100 -0.182 0.000 0.713 627 G HN 0.118 nan 8.290 nan 0.000 0.515 628 V N 2.443 122.205 119.914 -0.254 0.000 2.546 628 V HA 0.435 4.600 4.120 0.074 0.000 0.284 628 V C 0.814 176.730 176.094 -0.295 0.000 1.050 628 V CA -0.947 61.202 62.300 -0.252 0.000 0.981 628 V CB 1.165 32.931 31.823 -0.094 0.000 0.990 628 V HN 0.358 nan 8.190 nan 0.000 0.474 629 H N 2.381 121.463 119.070 0.020 0.000 2.495 629 H HA 0.772 5.373 4.556 0.074 0.000 0.350 629 H C 0.120 175.468 175.328 0.033 0.000 1.202 629 H CA -0.182 55.880 56.048 0.023 0.000 1.322 629 H CB 1.841 31.617 29.762 0.024 0.000 1.544 629 H HN 0.764 nan 8.280 nan 0.000 0.565 630 A N 1.302 124.228 122.820 0.177 0.000 2.413 630 A HA 0.553 4.917 4.320 0.074 0.000 0.307 630 A C -0.749 176.893 177.584 0.097 0.000 1.087 630 A CA -0.928 51.176 52.037 0.112 0.000 0.750 630 A CB 1.387 20.434 19.000 0.078 0.000 1.296 630 A HN 0.744 nan 8.150 nan 0.000 0.423 631 K N 2.184 122.635 120.400 0.085 0.000 2.502 631 K HA 0.641 5.005 4.320 0.074 0.000 0.254 631 K C -1.565 175.067 176.600 0.054 0.000 0.947 631 K CA -0.445 55.885 56.287 0.071 0.000 0.834 631 K CB 1.222 33.774 32.500 0.087 0.000 1.112 631 K HN 0.506 nan 8.250 nan 0.000 0.427 632 L N 5.238 126.483 121.223 0.036 0.000 2.315 632 L HA 0.322 4.706 4.340 0.074 0.000 0.283 632 L C -0.392 176.484 176.870 0.011 0.000 1.089 632 L CA -0.571 54.282 54.840 0.022 0.000 0.833 632 L CB 0.039 42.102 42.059 0.007 0.000 1.170 632 L HN 0.534 nan 8.230 nan 0.000 0.442 633 L N 3.857 125.089 121.223 0.015 0.000 2.342 633 L HA 0.603 4.988 4.340 0.074 0.000 0.271 633 L C -0.866 175.924 176.870 -0.134 0.000 1.008 633 L CA -0.799 54.008 54.840 -0.054 0.000 0.818 633 L CB 2.047 44.099 42.059 -0.011 0.000 1.296 633 L HN 0.401 nan 8.230 nan 0.000 0.427 634 Y N -0.491 119.392 120.300 -0.695 0.000 2.705 634 Y HA 0.164 4.759 4.550 0.074 0.000 0.332 634 Y C 0.746 175.919 175.900 -1.211 0.000 1.221 634 Y CA -0.936 56.653 58.100 -0.852 0.000 1.059 634 Y CB 1.819 40.087 38.460 -0.320 0.000 1.298 634 Y HN 0.559 nan 8.280 nan 0.000 0.459 635 S N 1.000 115.770 115.700 -1.550 0.000 2.603 635 S HA 0.215 4.730 4.470 0.074 0.000 0.220 635 S C 0.044 174.354 174.600 -0.485 0.000 0.967 635 S CA 0.423 58.110 58.200 -0.856 0.000 0.920 635 S CB -0.425 62.441 63.200 -0.556 0.000 0.773 635 S HN 0.622 nan 8.310 nan 0.000 0.529 636 R N -1.507 118.785 120.500 -0.348 0.000 2.752 636 R HA 0.623 5.008 4.340 0.074 0.000 0.271 636 R C -0.812 175.479 176.300 -0.014 0.000 1.026 636 R CA -1.094 54.941 56.100 -0.109 0.000 0.901 636 R CB 0.506 30.790 30.300 -0.027 0.000 1.243 636 R HN -0.061 nan 8.270 nan 0.000 0.463 637 M N 0.054 119.651 119.600 -0.004 0.000 2.278 637 M HA 0.535 5.059 4.480 0.074 0.000 0.227 637 M C 1.071 177.387 176.300 0.025 0.000 1.138 637 M CA 0.784 56.088 55.300 0.006 0.000 1.014 637 M CB 0.357 32.953 32.600 -0.007 0.000 1.289 637 M HN 1.046 nan 8.290 nan 0.000 0.567 638 G N 0.625 109.431 108.800 0.010 0.000 2.603 638 G HA2 -0.166 3.838 3.960 0.074 0.000 0.245 638 G HA3 -0.166 3.838 3.960 0.074 0.000 0.245 638 G C -0.725 174.169 174.900 -0.010 0.000 1.195 638 G CA -0.249 44.854 45.100 0.004 0.000 0.953 638 G HN 0.625 nan 8.290 nan 0.000 0.566 639 E N -1.027 119.160 120.200 -0.021 0.000 2.393 639 E HA 0.618 5.012 4.350 0.074 0.000 0.273 639 E C -0.466 176.073 176.600 -0.101 0.000 0.918 639 E CA -0.451 55.916 56.400 -0.055 0.000 0.773 639 E CB 2.957 32.631 29.700 -0.042 0.000 1.275 639 E HN 1.276 nan 8.360 nan 0.000 0.451 640 V N -1.756 118.062 119.914 -0.159 0.000 2.962 640 V HA 0.727 4.892 4.120 0.074 0.000 0.313 640 V C -0.590 175.417 176.094 -0.145 0.000 1.099 640 V CA -0.711 61.456 62.300 -0.223 0.000 0.971 640 V CB 1.963 33.512 31.823 -0.457 0.000 1.028 640 V HN 0.631 nan 8.190 nan 0.000 0.430 641 T N 2.880 117.364 114.554 -0.117 0.000 2.779 641 T HA 0.778 5.173 4.350 0.074 0.000 0.280 641 T C 0.401 175.057 174.700 -0.074 0.000 0.987 641 T CA 0.265 62.318 62.100 -0.078 0.000 0.966 641 T CB 1.356 70.191 68.868 -0.054 0.000 0.933 641 T HN 1.375 nan 8.240 nan 0.000 0.442 642 A N 2.396 125.179 122.820 -0.062 0.000 2.346 642 A HA 0.300 4.664 4.320 0.074 0.000 0.255 642 A C 1.541 179.102 177.584 -0.038 0.000 1.113 642 A CA -0.257 51.749 52.037 -0.051 0.000 0.798 642 A CB 0.007 18.982 19.000 -0.042 0.000 1.073 642 A HN 0.910 nan 8.150 nan 0.000 0.502 643 D N -0.325 120.056 120.400 -0.032 0.000 2.263 643 D HA -0.173 4.512 4.640 0.074 0.000 0.208 643 D C 0.644 176.931 176.300 -0.022 0.000 0.971 643 D CA 1.432 55.417 54.000 -0.025 0.000 0.867 643 D CB -0.249 40.538 40.800 -0.022 0.000 0.929 643 D HN 0.603 nan 8.370 nan 0.000 0.492 644 D N -1.178 119.208 120.400 -0.023 0.000 2.340 644 D HA 0.171 4.855 4.640 0.074 0.000 0.217 644 D C 1.618 177.906 176.300 -0.020 0.000 1.081 644 D CA 0.449 54.437 54.000 -0.020 0.000 0.842 644 D CB -0.097 40.692 40.800 -0.019 0.000 0.934 644 D HN 0.342 nan 8.370 nan 0.000 0.511 645 G N -0.123 108.663 108.800 -0.023 0.000 2.175 645 G HA2 -0.252 3.752 3.960 0.074 0.000 0.244 645 G HA3 -0.252 3.752 3.960 0.074 0.000 0.244 645 G C 0.355 175.241 174.900 -0.024 0.000 0.982 645 G CA 0.203 45.289 45.100 -0.022 0.000 0.641 645 G HN 0.422 nan 8.290 nan 0.000 0.527 646 T N 1.396 115.935 114.554 -0.026 0.000 2.853 646 T HA 0.417 4.812 4.350 0.074 0.000 0.298 646 T C 0.684 175.364 174.700 -0.033 0.000 0.978 646 T CA 0.131 62.216 62.100 -0.026 0.000 1.152 646 T CB 2.014 70.867 68.868 -0.025 0.000 0.914 646 T HN 0.513 nan 8.240 nan 0.000 0.539 647 V N 6.009 125.905 119.914 -0.029 0.000 2.408 647 V HA 0.262 4.426 4.120 0.074 0.000 0.267 647 V C 0.227 176.298 176.094 -0.037 0.000 1.047 647 V CA -0.521 61.758 62.300 -0.036 0.000 0.937 647 V CB 0.277 32.083 31.823 -0.028 0.000 0.999 647 V HN 0.693 nan 8.190 nan 0.000 0.472 648 L N 8.453 129.645 121.223 -0.053 0.000 2.262 648 L HA 0.439 4.823 4.340 0.074 0.000 0.288 648 L C -2.243 174.595 176.870 -0.052 0.000 1.035 648 L CA -1.772 53.038 54.840 -0.051 0.000 0.820 648 L CB 1.670 43.690 42.059 -0.066 0.000 1.204 648 L HN 0.418 nan 8.230 nan 0.000 0.424 649 P HA 0.169 nan 4.420 nan 0.000 0.271 649 P C -0.440 176.846 177.300 -0.023 0.000 1.216 649 P CA 0.022 63.108 63.100 -0.024 0.000 0.771 649 P CB 0.780 32.473 31.700 -0.011 0.000 0.864 650 I N 2.241 122.799 120.570 -0.021 0.000 2.342 650 I HA 0.193 4.407 4.170 0.074 0.000 0.291 650 I C 1.581 177.694 176.117 -0.007 0.000 1.010 650 I CA -0.384 60.907 61.300 -0.015 0.000 1.308 650 I CB 1.306 39.304 38.000 -0.004 0.000 1.400 650 I HN 0.364 nan 8.210 nan 0.000 0.488 651 A N 5.392 128.211 122.820 -0.002 0.000 1.929 651 A HA 0.491 4.856 4.320 0.074 0.000 0.216 651 A C 1.015 178.603 177.584 0.006 0.000 1.176 651 A CA 1.357 53.398 52.037 0.008 0.000 0.628 651 A CB -0.002 19.011 19.000 0.022 0.000 0.816 651 A HN 0.844 nan 8.150 nan 0.000 0.444 652 A N -2.396 120.421 122.820 -0.004 0.000 2.544 652 A HA 0.564 4.928 4.320 0.074 0.000 0.291 652 A C -0.073 177.476 177.584 -0.057 0.000 1.055 652 A CA 0.072 52.105 52.037 -0.007 0.000 0.651 652 A CB -0.306 18.714 19.000 0.033 0.000 1.296 652 A HN 0.789 nan 8.150 nan 0.000 0.431 653 T N -1.661 112.853 114.554 -0.067 0.000 2.881 653 T HA 0.595 4.989 4.350 0.074 0.000 0.278 653 T C 0.949 175.618 174.700 -0.051 0.000 0.982 653 T CA -0.005 61.989 62.100 -0.178 0.000 0.989 653 T CB 0.191 68.984 68.868 -0.125 0.000 1.058 653 T HN 0.466 nan 8.240 nan 0.000 0.529 654 F N 0.437 120.404 119.950 0.029 0.000 2.095 654 F HA -0.015 4.557 4.527 0.074 0.000 0.298 654 F C 2.980 178.913 175.800 0.221 0.000 1.104 654 F CA 1.023 59.087 58.000 0.106 0.000 1.232 654 F CB -0.587 38.442 39.000 0.049 0.000 0.987 654 F HN 0.697 nan 8.300 nan 0.000 0.475 655 A N 0.125 123.117 122.820 0.287 0.000 1.970 655 A HA 0.055 4.419 4.320 0.074 0.000 0.216 655 A C 2.393 180.052 177.584 0.125 0.000 1.170 655 A CA 1.404 53.550 52.037 0.183 0.000 0.645 655 A CB -1.344 17.718 19.000 0.103 0.000 0.816 655 A HN 0.391 nan 8.150 nan 0.000 0.447 656 G N -0.962 107.898 108.800 0.099 0.000 2.464 656 G HA2 0.309 4.314 3.960 0.074 0.000 0.217 656 G HA3 0.309 4.314 3.960 0.074 0.000 0.217 656 G C 0.653 175.602 174.900 0.082 0.000 1.138 656 G CA 0.888 46.026 45.100 0.064 0.000 0.793 656 G HN 0.984 nan 8.290 nan 0.000 0.539 657 A N 0.970 123.872 122.820 0.137 0.000 2.978 657 A HA 0.706 5.070 4.320 0.074 0.000 0.341 657 A C -2.640 175.090 177.584 0.243 0.000 1.105 657 A CA -1.224 50.907 52.037 0.157 0.000 0.819 657 A CB 1.117 20.209 19.000 0.153 0.000 1.080 657 A HN 0.085 nan 8.150 nan 0.000 0.476 658 P HA -0.005 nan 4.420 nan 0.000 0.269 658 P C 1.379 178.512 177.300 -0.278 0.000 1.217 658 P CA 0.480 63.529 63.100 -0.085 0.000 0.783 658 P CB 0.721 32.358 31.700 -0.105 0.000 0.898 659 S N 1.335 116.502 115.700 -0.888 0.000 2.440 659 S HA -0.174 4.341 4.470 0.074 0.000 0.238 659 S C 1.753 176.206 174.600 -0.245 0.000 1.010 659 S CA 1.140 58.947 58.200 -0.655 0.000 0.972 659 S CB -1.356 61.362 63.200 -0.804 0.000 0.774 659 S HN 0.356 nan 8.310 nan 0.000 0.501 660 L N 1.748 122.840 121.223 -0.219 0.000 2.129 660 L HA -0.112 4.273 4.340 0.074 0.000 0.212 660 L C 2.958 179.679 176.870 -0.248 0.000 1.087 660 L CA 1.725 56.441 54.840 -0.207 0.000 0.757 660 L CB -1.538 40.373 42.059 -0.247 0.000 0.896 660 L HN 0.659 nan 8.230 nan 0.000 0.434 661 T N -3.117 111.358 114.554 -0.132 0.000 3.107 661 T HA 0.249 4.643 4.350 0.074 0.000 0.249 661 T C 0.344 175.141 174.700 0.162 0.000 1.096 661 T CA 0.143 62.251 62.100 0.013 0.000 1.012 661 T CB -0.301 68.649 68.868 0.137 0.000 0.977 661 T HN 0.165 nan 8.240 nan 0.000 0.527 662 V N -2.726 117.243 119.914 0.092 0.000 3.155 662 V HA 0.598 4.763 4.120 0.074 0.000 0.313 662 V C -0.151 175.992 176.094 0.081 0.000 1.162 662 V CA -0.919 61.458 62.300 0.128 0.000 1.048 662 V CB 2.077 33.990 31.823 0.151 0.000 1.092 662 V HN -0.014 nan 8.190 nan 0.000 0.447 663 D N 0.718 121.167 120.400 0.081 0.000 2.355 663 D HA 0.524 5.209 4.640 0.074 0.000 0.206 663 D C 0.551 176.843 176.300 -0.013 0.000 1.010 663 D CA 1.488 55.513 54.000 0.042 0.000 0.875 663 D CB 1.538 42.384 40.800 0.078 0.000 0.966 663 D HN 1.005 nan 8.370 nan 0.000 0.512 664 A N -0.036 122.792 122.820 0.013 0.000 2.566 664 A HA 0.547 4.911 4.320 0.074 0.000 0.290 664 A C -1.607 175.997 177.584 0.034 0.000 1.071 664 A CA -0.541 51.488 52.037 -0.013 0.000 0.658 664 A CB 1.325 20.304 19.000 -0.034 0.000 1.285 664 A HN -0.114 nan 8.150 nan 0.000 0.427 665 V N 0.610 120.538 119.914 0.023 0.000 2.735 665 V HA 0.648 4.813 4.120 0.074 0.000 0.310 665 V C -0.781 175.323 176.094 0.017 0.000 1.061 665 V CA -0.276 62.052 62.300 0.046 0.000 0.913 665 V CB 1.676 33.544 31.823 0.075 0.000 1.005 665 V HN 0.692 nan 8.190 nan 0.000 0.428 666 I N 3.723 124.310 120.570 0.027 0.000 2.499 666 I HA 0.524 4.738 4.170 0.074 0.000 0.288 666 I C -1.010 175.138 176.117 0.052 0.000 1.048 666 I CA -0.868 60.474 61.300 0.070 0.000 1.062 666 I CB 2.325 40.396 38.000 0.118 0.000 1.238 666 I HN 0.280 nan 8.210 nan 0.000 0.426 667 V N 7.329 127.291 119.914 0.080 0.000 2.326 667 V HA 0.361 4.526 4.120 0.074 0.000 0.281 667 V C -2.142 174.016 176.094 0.106 0.000 1.015 667 V CA -1.658 60.682 62.300 0.067 0.000 0.823 667 V CB 1.084 32.930 31.823 0.039 0.000 1.009 667 V HN 0.532 nan 8.190 nan 0.000 0.436 668 P HA 0.221 nan 4.420 nan 0.000 0.274 668 P C 0.168 177.487 177.300 0.032 0.000 1.256 668 P CA -0.191 62.922 63.100 0.022 0.000 0.795 668 P CB 1.125 32.829 31.700 0.008 0.000 1.038 669 C N -0.216 119.080 119.300 -0.007 0.000 2.638 669 C HA 0.825 5.330 4.460 0.074 0.000 0.348 669 C C 1.255 176.252 174.990 0.013 0.000 1.860 669 C CA 1.222 60.245 59.018 0.009 0.000 1.955 669 C CB -0.199 27.530 27.740 -0.018 0.000 1.922 669 C HN 0.914 nan 8.230 nan 0.000 0.519 670 G N 1.244 110.049 108.800 0.009 0.000 2.233 670 G HA2 -0.012 3.993 3.960 0.074 0.000 0.162 670 G HA3 -0.012 3.993 3.960 0.074 0.000 0.162 670 G C -0.929 173.980 174.900 0.016 0.000 1.327 670 G CA 0.132 45.236 45.100 0.008 0.000 1.187 670 G HN 0.955 nan 8.290 nan 0.000 0.479 671 N N 1.960 120.676 118.700 0.027 0.000 3.034 671 N HA 0.283 5.068 4.740 0.074 0.000 0.265 671 N C 1.732 177.274 175.510 0.053 0.000 1.166 671 N CA -0.468 52.601 53.050 0.032 0.000 1.081 671 N CB -0.256 38.252 38.487 0.035 0.000 1.378 671 N HN 0.396 nan 8.380 nan 0.000 0.520 672 I N 0.882 121.474 120.570 0.035 0.000 2.335 672 I HA -0.225 3.989 4.170 0.074 0.000 0.251 672 I C 2.042 178.157 176.117 -0.004 0.000 1.129 672 I CA 0.759 62.077 61.300 0.030 0.000 1.402 672 I CB -1.461 36.526 38.000 -0.023 0.000 1.069 672 I HN 0.465 nan 8.210 nan 0.000 0.424 673 A N 0.684 123.496 122.820 -0.014 0.000 1.986 673 A HA -0.290 4.074 4.320 0.074 0.000 0.220 673 A C 2.088 179.688 177.584 0.026 0.000 1.171 673 A CA 2.122 54.148 52.037 -0.018 0.000 0.640 673 A CB -0.740 18.252 19.000 -0.013 0.000 0.811 673 A HN 0.426 nan 8.150 nan 0.000 0.451 674 D N 0.351 120.793 120.400 0.070 0.000 2.133 674 D HA -0.170 4.515 4.640 0.074 0.000 0.195 674 D C 1.572 177.957 176.300 0.141 0.000 0.997 674 D CA 1.887 55.958 54.000 0.119 0.000 0.840 674 D CB -0.208 40.702 40.800 0.184 0.000 0.947 674 D HN 0.663 nan 8.370 nan 0.000 0.452 675 I N -3.902 116.769 120.570 0.168 0.000 4.139 675 I HA 0.466 4.680 4.170 0.074 0.000 0.335 675 I C 1.938 178.173 176.117 0.197 0.000 1.327 675 I CA -0.009 61.420 61.300 0.214 0.000 1.112 675 I CB 0.114 38.301 38.000 0.313 0.000 1.058 675 I HN -0.095 nan 8.210 nan 0.000 0.396 676 A N 1.778 124.604 122.820 0.010 0.000 1.940 676 A HA -0.193 4.171 4.320 0.074 0.000 0.219 676 A C 1.706 179.239 177.584 -0.085 0.000 1.176 676 A CA 2.198 54.091 52.037 -0.239 0.000 0.631 676 A CB -0.555 18.262 19.000 -0.305 0.000 0.814 676 A HN 0.507 nan 8.150 nan 0.000 0.446 677 D N -0.442 119.952 120.400 -0.010 0.000 2.339 677 D HA 0.002 4.687 4.640 0.074 0.000 0.217 677 D C 0.195 176.524 176.300 0.049 0.000 1.050 677 D CA -0.098 53.909 54.000 0.012 0.000 0.856 677 D CB -0.279 40.522 40.800 0.003 0.000 0.922 677 D HN 0.355 nan 8.370 nan 0.000 0.518 678 N N 1.176 119.925 118.700 0.081 0.000 2.431 678 N HA 0.002 4.786 4.740 0.074 0.000 0.265 678 N C 1.356 176.905 175.510 0.066 0.000 1.184 678 N CA 0.069 53.165 53.050 0.076 0.000 0.943 678 N CB 1.401 39.944 38.487 0.094 0.000 1.080 678 N HN -0.001 nan 8.380 nan 0.000 0.477 679 G N 3.512 112.347 108.800 0.059 0.000 2.440 679 G HA2 -0.269 3.735 3.960 0.074 0.000 0.218 679 G HA3 -0.269 3.735 3.960 0.074 0.000 0.218 679 G C 0.970 175.919 174.900 0.082 0.000 1.154 679 G CA 0.629 45.766 45.100 0.061 0.000 0.767 679 G HN 0.589 nan 8.290 nan 0.000 0.552 680 D N 0.856 121.309 120.400 0.087 0.000 2.117 680 D HA 0.019 4.704 4.640 0.074 0.000 0.198 680 D C 2.795 179.095 176.300 0.000 0.000 0.982 680 D CA 1.183 55.265 54.000 0.137 0.000 0.828 680 D CB -0.461 40.478 40.800 0.232 0.000 0.967 680 D HN 0.310 nan 8.370 nan 0.000 0.464 681 A N 0.934 123.577 122.820 -0.295 0.000 1.898 681 A HA -0.182 4.183 4.320 0.074 0.000 0.216 681 A C 2.021 179.387 177.584 -0.363 0.000 1.181 681 A CA 1.234 52.851 52.037 -0.700 0.000 0.620 681 A CB -0.466 18.070 19.000 -0.774 0.000 0.819 681 A HN 0.154 nan 8.150 nan 0.000 0.442 682 N N -1.493 117.150 118.700 -0.094 0.000 2.084 682 N HA -0.187 4.598 4.740 0.074 0.000 0.190 682 N C 1.745 177.238 175.510 -0.029 0.000 1.030 682 N CA 1.814 54.864 53.050 0.000 0.000 0.849 682 N CB -0.461 38.101 38.487 0.125 0.000 1.012 682 N HN 0.664 nan 8.380 nan 0.000 0.423 683 Y N 0.765 121.030 120.300 -0.059 0.000 2.207 683 Y HA -0.296 4.298 4.550 0.074 0.000 0.287 683 Y C 2.415 178.271 175.900 -0.074 0.000 1.156 683 Y CA 1.398 59.463 58.100 -0.059 0.000 1.182 683 Y CB -0.442 37.992 38.460 -0.043 0.000 0.979 683 Y HN 0.054 nan 8.280 nan 0.000 0.521 684 Y N 0.357 120.534 120.300 -0.204 0.000 2.102 684 Y HA -0.351 4.243 4.550 0.074 0.000 0.280 684 Y C 2.078 177.778 175.900 -0.333 0.000 1.178 684 Y CA 2.289 60.238 58.100 -0.252 0.000 1.146 684 Y CB -0.474 37.834 38.460 -0.254 0.000 0.968 684 Y HN 0.139 nan 8.280 nan 0.000 0.504 685 L N -1.230 119.910 121.223 -0.137 0.000 2.156 685 L HA -0.219 4.166 4.340 0.074 0.000 0.208 685 L C 2.376 179.119 176.870 -0.211 0.000 1.095 685 L CA 1.100 55.841 54.840 -0.165 0.000 0.770 685 L CB -0.465 41.462 42.059 -0.220 0.000 0.914 685 L HN 0.277 nan 8.230 nan 0.000 0.439 686 M N -0.581 118.833 119.600 -0.310 0.000 2.132 686 M HA -0.208 4.316 4.480 0.074 0.000 0.263 686 M C 2.249 178.308 176.300 -0.402 0.000 1.065 686 M CA 1.658 56.775 55.300 -0.304 0.000 1.122 686 M CB -0.353 32.065 32.600 -0.302 0.000 1.365 686 M HN 0.212 nan 8.290 nan 0.000 0.411 687 E N 0.644 120.421 120.200 -0.704 0.000 2.051 687 E HA -0.192 4.203 4.350 0.074 0.000 0.192 687 E C 2.027 178.280 176.600 -0.579 0.000 0.991 687 E CA 1.328 57.279 56.400 -0.748 0.000 0.799 687 E CB 0.007 29.216 29.700 -0.817 0.000 0.748 687 E HN 0.462 nan 8.360 nan 0.000 0.449 688 A N 0.446 123.035 122.820 -0.385 0.000 1.883 688 A HA -0.240 4.124 4.320 0.074 0.000 0.217 688 A C 2.072 179.549 177.584 -0.177 0.000 1.186 688 A CA 1.712 53.612 52.037 -0.228 0.000 0.624 688 A CB -1.064 17.862 19.000 -0.124 0.000 0.822 688 A HN 0.569 nan 8.150 nan 0.000 0.444 689 Y N 0.480 120.626 120.300 -0.256 0.000 2.097 689 Y HA -0.234 4.361 4.550 0.074 0.000 0.282 689 Y C 2.459 178.239 175.900 -0.199 0.000 1.152 689 Y CA 2.451 60.429 58.100 -0.203 0.000 1.136 689 Y CB -0.228 38.126 38.460 -0.178 0.000 0.975 689 Y HN 0.311 nan 8.280 nan 0.000 0.498 690 K N -0.530 119.762 120.400 -0.180 0.000 2.063 690 K HA -0.228 4.137 4.320 0.074 0.000 0.208 690 K C 1.043 177.540 176.600 -0.172 0.000 1.048 690 K CA 2.036 58.198 56.287 -0.209 0.000 0.928 690 K CB -0.475 31.863 32.500 -0.270 0.000 0.713 690 K HN 0.586 nan 8.250 nan 0.000 0.442 691 H N 0.588 119.538 119.070 -0.200 0.000 2.555 691 H HA 0.167 4.767 4.556 0.075 0.000 0.283 691 H C 0.002 175.169 175.328 -0.269 0.000 1.037 691 H CA -0.004 55.922 56.048 -0.204 0.000 1.169 691 H CB -0.018 29.622 29.762 -0.205 0.000 1.375 691 H HN 0.141 nan 8.280 nan 0.000 0.582 692 L N 0.021 121.101 121.223 -0.239 0.000 4.040 692 L HA -0.302 4.083 4.340 0.074 0.000 0.410 692 L C -0.339 176.276 176.870 -0.426 0.000 1.187 692 L CA 0.710 55.315 54.840 -0.391 0.000 0.956 692 L CB -1.723 40.085 42.059 -0.418 0.000 2.022 692 L HN 0.343 nan 8.230 nan 0.000 0.897 693 K N 0.456 120.670 120.400 -0.310 0.000 2.118 693 K HA 0.511 4.875 4.320 0.074 0.000 0.267 693 K C -2.201 174.267 176.600 -0.220 0.000 0.991 693 K CA -1.870 54.255 56.287 -0.271 0.000 0.916 693 K CB 0.710 33.103 32.500 -0.178 0.000 1.041 693 K HN -0.219 nan 8.250 nan 0.000 0.455 694 P HA 0.067 nan 4.420 nan 0.000 0.267 694 P C -0.831 176.406 177.300 -0.104 0.000 1.205 694 P CA 0.340 63.344 63.100 -0.160 0.000 0.765 694 P CB 0.398 32.003 31.700 -0.158 0.000 0.828 695 I N 2.113 122.632 120.570 -0.085 0.000 2.545 695 I HA 0.642 4.856 4.170 0.074 0.000 0.292 695 I C -0.268 175.799 176.117 -0.084 0.000 1.040 695 I CA -0.806 60.463 61.300 -0.053 0.000 1.068 695 I CB 2.198 40.192 38.000 -0.010 0.000 1.251 695 I HN 0.255 nan 8.210 nan 0.000 0.424 696 A N 7.571 130.350 122.820 -0.068 0.000 2.343 696 A HA 0.883 5.248 4.320 0.074 0.000 0.308 696 A C -1.132 176.536 177.584 0.140 0.000 1.092 696 A CA -0.440 51.524 52.037 -0.121 0.000 0.751 696 A CB 1.034 19.825 19.000 -0.348 0.000 1.203 696 A HN 0.663 nan 8.150 nan 0.000 0.452 697 L N 2.203 123.560 121.223 0.224 0.000 2.376 697 L HA 0.736 5.121 4.340 0.074 0.000 0.275 697 L C 0.227 177.315 176.870 0.363 0.000 0.987 697 L CA -0.571 54.430 54.840 0.268 0.000 0.828 697 L CB 1.937 44.097 42.059 0.169 0.000 1.249 697 L HN 0.789 nan 8.230 nan 0.000 0.409 698 A N 2.198 125.149 122.820 0.219 0.000 2.337 698 A HA 0.878 5.243 4.320 0.074 0.000 0.329 698 A C 0.621 178.214 177.584 0.015 0.000 1.146 698 A CA 0.271 52.322 52.037 0.023 0.000 0.800 698 A CB 1.276 20.126 19.000 -0.249 0.000 1.220 698 A HN 0.981 nan 8.150 nan 0.000 0.472 699 G N 1.728 110.524 108.800 -0.008 0.000 2.634 699 G HA2 -0.341 3.664 3.960 0.074 0.000 0.309 699 G HA3 -0.341 3.664 3.960 0.074 0.000 0.309 699 G C 0.442 175.349 174.900 0.011 0.000 1.265 699 G CA 0.912 46.007 45.100 -0.008 0.000 0.998 699 G HN 0.736 nan 8.290 nan 0.000 0.551 700 D N 1.266 121.667 120.400 0.002 0.000 2.351 700 D HA 0.220 4.904 4.640 0.074 0.000 0.216 700 D C 2.538 178.839 176.300 0.001 0.000 0.968 700 D CA 1.559 55.553 54.000 -0.011 0.000 0.899 700 D CB -0.621 40.165 40.800 -0.024 0.000 0.907 700 D HN 0.798 nan 8.370 nan 0.000 0.514 701 A N 0.509 123.372 122.820 0.071 0.000 2.070 701 A HA -0.160 4.204 4.320 0.074 0.000 0.220 701 A C 2.063 179.765 177.584 0.197 0.000 1.159 701 A CA 0.780 52.932 52.037 0.192 0.000 0.656 701 A CB -0.327 18.803 19.000 0.218 0.000 0.800 701 A HN 0.133 nan 8.150 nan 0.000 0.453 702 R N -0.433 120.130 120.500 0.105 0.000 2.193 702 R HA -0.060 4.325 4.340 0.074 0.000 0.229 702 R C 1.457 177.777 176.300 0.034 0.000 1.110 702 R CA 0.873 57.022 56.100 0.082 0.000 0.988 702 R CB -0.092 30.244 30.300 0.059 0.000 0.871 702 R HN 0.219 nan 8.270 nan 0.000 0.458 703 K N 0.124 120.502 120.400 -0.035 0.000 2.360 703 K HA -0.123 4.242 4.320 0.074 0.000 0.201 703 K C 1.426 177.939 176.600 -0.145 0.000 1.046 703 K CA 1.199 57.415 56.287 -0.119 0.000 0.940 703 K CB -0.207 32.169 32.500 -0.207 0.000 0.748 703 K HN 0.251 nan 8.250 nan 0.000 0.465 704 F N 1.113 121.040 119.950 -0.038 0.000 2.604 704 F HA -0.059 4.512 4.527 0.075 0.000 0.298 704 F C 1.962 177.715 175.800 -0.077 0.000 1.131 704 F CA 0.597 58.563 58.000 -0.057 0.000 1.457 704 F CB 0.076 39.041 39.000 -0.058 0.000 1.095 704 F HN -0.023 nan 8.300 nan 0.000 0.574 705 K N 0.205 120.656 120.400 0.085 0.000 2.152 705 K HA -0.191 4.173 4.320 0.074 0.000 0.206 705 K C 2.248 178.823 176.600 -0.042 0.000 1.048 705 K CA 1.111 57.398 56.287 -0.001 0.000 0.933 705 K CB -0.296 32.199 32.500 -0.009 0.000 0.721 705 K HN 0.260 nan 8.250 nan 0.000 0.447 706 A N 0.744 123.547 122.820 -0.028 0.000 2.014 706 A HA -0.112 4.253 4.320 0.074 0.000 0.218 706 A C 2.080 179.639 177.584 -0.042 0.000 1.163 706 A CA 1.675 53.687 52.037 -0.043 0.000 0.652 706 A CB -0.675 18.300 19.000 -0.042 0.000 0.808 706 A HN 0.249 nan 8.150 nan 0.000 0.449 707 T N 1.171 115.721 114.554 -0.006 0.000 2.720 707 T HA -0.120 4.275 4.350 0.074 0.000 0.268 707 T C 1.342 175.988 174.700 -0.091 0.000 1.037 707 T CA 1.450 63.548 62.100 -0.004 0.000 1.144 707 T CB -0.591 68.319 68.868 0.069 0.000 0.864 707 T HN 0.712 nan 8.240 nan 0.000 0.444 708 I N -0.761 119.704 120.570 -0.175 0.000 3.585 708 I HA 0.466 4.681 4.170 0.074 0.000 0.325 708 I C 0.076 175.979 176.117 -0.357 0.000 1.370 708 I CA -0.756 60.316 61.300 -0.380 0.000 1.298 708 I CB -0.526 37.060 38.000 -0.691 0.000 1.387 708 I HN -0.142 nan 8.210 nan 0.000 0.466 709 K N 2.277 122.563 120.400 -0.189 0.000 4.581 709 K HA -0.129 4.236 4.320 0.074 0.000 0.265 709 K C -0.955 175.571 176.600 -0.125 0.000 0.691 709 K CA 0.692 56.907 56.287 -0.119 0.000 0.578 709 K CB -0.991 31.462 32.500 -0.079 0.000 2.166 709 K HN 0.752 nan 8.250 nan 0.000 0.385 710 I N 0.140 120.630 120.570 -0.133 0.000 2.739 710 I HA 0.418 4.632 4.170 0.074 0.000 0.287 710 I C -1.348 174.732 176.117 -0.062 0.000 1.558 710 I CA 0.710 61.954 61.300 -0.093 0.000 1.050 710 I CB 1.323 39.257 38.000 -0.110 0.000 1.432 710 I HN 0.516 nan 8.210 nan 0.000 0.432 711 A N 4.589 127.393 122.820 -0.026 0.000 2.447 711 A HA -0.134 4.231 4.320 0.074 0.000 0.686 711 A C 0.064 177.639 177.584 -0.015 0.000 0.169 711 A CA 1.322 53.352 52.037 -0.011 0.000 0.110 711 A CB -0.927 18.074 19.000 0.002 0.000 3.968 711 A HN 1.061 nan 8.150 nan 0.000 0.548 712 D N -0.816 119.579 120.400 -0.008 0.000 2.415 712 D HA 0.124 4.808 4.640 0.074 0.000 0.269 712 D C 1.304 177.603 176.300 -0.001 0.000 1.099 712 D CA 0.367 54.363 54.000 -0.007 0.000 0.865 712 D CB -0.014 40.781 40.800 -0.008 0.000 1.359 712 D HN 0.443 nan 8.370 nan 0.000 0.506 713 Q N 1.008 120.808 119.800 0.001 0.000 2.425 713 Q HA 0.308 4.693 4.340 0.074 0.000 0.204 713 Q C 0.951 176.954 176.000 0.005 0.000 0.933 713 Q CA 0.853 56.658 55.803 0.003 0.000 0.939 713 Q CB 1.228 29.968 28.738 0.003 0.000 1.044 713 Q HN 0.359 nan 8.270 nan 0.000 0.513 714 G N 1.389 110.191 108.800 0.004 0.000 2.462 714 G HA2 -0.088 3.916 3.960 0.074 0.000 0.685 714 G HA3 -0.088 3.916 3.960 0.074 0.000 0.685 714 G C -1.463 173.441 174.900 0.006 0.000 1.295 714 G CA -0.487 44.616 45.100 0.005 0.000 0.941 714 G HN 0.102 nan 8.290 nan 0.000 0.554 715 E N -0.418 119.786 120.200 0.007 0.000 2.354 715 E HA 0.429 4.824 4.350 0.074 0.000 0.283 715 E C -0.473 176.124 176.600 -0.005 0.000 0.938 715 E CA -0.597 55.811 56.400 0.013 0.000 0.777 715 E CB 1.240 30.966 29.700 0.044 0.000 1.222 715 E HN 0.617 nan 8.360 nan 0.000 0.423 716 E N 1.596 121.785 120.200 -0.018 0.000 2.480 716 E HA 0.295 4.689 4.350 0.074 0.000 0.258 716 E C 0.759 177.320 176.600 -0.066 0.000 0.984 716 E CA 1.286 57.659 56.400 -0.044 0.000 0.930 716 E CB 0.587 30.260 29.700 -0.045 0.000 0.936 716 E HN 0.830 nan 8.360 nan 0.000 0.466 717 G N 3.097 111.843 108.800 -0.089 0.000 2.278 717 G HA2 -0.190 3.814 3.960 0.074 0.000 0.210 717 G HA3 -0.190 3.814 3.960 0.074 0.000 0.210 717 G C -0.016 174.832 174.900 -0.087 0.000 1.000 717 G CA -0.580 44.448 45.100 -0.120 0.000 0.635 717 G HN 0.413 nan 8.290 nan 0.000 0.495 718 I N 2.425 122.966 120.570 -0.049 0.000 2.330 718 I HA 0.529 4.743 4.170 0.074 0.000 0.289 718 I C 0.447 176.512 176.117 -0.085 0.000 1.001 718 I CA -1.263 60.013 61.300 -0.040 0.000 1.193 718 I CB 1.131 39.138 38.000 0.012 0.000 1.345 718 I HN -0.082 nan 8.210 nan 0.000 0.461 719 V N 7.481 127.299 119.914 -0.160 0.000 2.465 719 V HA 0.408 4.573 4.120 0.074 0.000 0.279 719 V C 0.236 176.224 176.094 -0.177 0.000 1.045 719 V CA -0.450 61.693 62.300 -0.262 0.000 0.938 719 V CB 1.359 32.875 31.823 -0.513 0.000 0.986 719 V HN 0.870 nan 8.190 nan 0.000 0.467 720 E N 4.053 124.234 120.200 -0.031 0.000 2.366 720 E HA 0.895 5.289 4.350 0.074 0.000 0.278 720 E C -1.021 175.729 176.600 0.250 0.000 0.923 720 E CA -1.037 55.456 56.400 0.155 0.000 0.761 720 E CB 2.639 32.393 29.700 0.090 0.000 1.231 720 E HN 0.841 nan 8.360 nan 0.000 0.443 721 A N 1.733 124.729 122.820 0.293 0.000 2.567 721 A HA 0.329 4.694 4.320 0.074 0.000 0.291 721 A C -0.672 176.956 177.584 0.073 0.000 1.048 721 A CA -0.611 51.540 52.037 0.191 0.000 0.661 721 A CB 1.082 20.251 19.000 0.281 0.000 1.288 721 A HN 0.590 nan 8.150 nan 0.000 0.424 722 D N 0.639 121.054 120.400 0.024 0.000 2.182 722 D HA 0.030 4.714 4.640 0.074 0.000 0.201 722 D C 1.096 177.356 176.300 -0.066 0.000 0.986 722 D CA 2.506 56.498 54.000 -0.013 0.000 0.847 722 D CB 0.036 40.829 40.800 -0.012 0.000 0.942 722 D HN 0.886 nan 8.370 nan 0.000 0.467 723 S N -1.791 113.835 115.700 -0.124 0.000 2.596 723 S HA 0.708 5.222 4.470 0.074 0.000 0.270 723 S C -0.926 173.384 174.600 -0.483 0.000 1.155 723 S CA -0.923 57.136 58.200 -0.234 0.000 0.827 723 S CB 1.960 65.070 63.200 -0.150 0.000 1.130 723 S HN 0.041 nan 8.310 nan 0.000 0.467 724 A N 1.707 124.142 122.820 -0.642 0.000 2.410 724 A HA 0.593 4.958 4.320 0.074 0.000 0.292 724 A C -0.050 177.320 177.584 -0.357 0.000 1.232 724 A CA -0.154 51.298 52.037 -0.975 0.000 0.893 724 A CB -1.123 17.445 19.000 -0.721 0.000 1.131 724 A HN 0.892 nan 8.150 nan 0.000 0.530 725 D N 1.400 121.711 120.400 -0.148 0.000 2.723 725 D HA 0.547 5.231 4.640 0.074 0.000 0.247 725 D C 1.263 177.611 176.300 0.080 0.000 1.134 725 D CA 0.090 54.082 54.000 -0.012 0.000 1.099 725 D CB -0.020 40.780 40.800 -0.000 0.000 1.287 725 D HN 0.195 nan 8.370 nan 0.000 0.634 726 G N -0.712 108.123 108.800 0.058 0.000 2.418 726 G HA2 -0.251 3.754 3.960 0.074 0.000 0.217 726 G HA3 -0.251 3.754 3.960 0.074 0.000 0.217 726 G C 1.484 176.434 174.900 0.082 0.000 1.158 726 G CA 1.277 46.414 45.100 0.061 0.000 0.771 726 G HN 0.444 nan 8.290 nan 0.000 0.545 727 S N -0.302 115.451 115.700 0.088 0.000 2.368 727 S HA -0.098 4.417 4.470 0.074 0.000 0.224 727 S C 2.087 176.765 174.600 0.130 0.000 1.029 727 S CA 1.373 59.626 58.200 0.087 0.000 0.988 727 S CB -0.428 62.816 63.200 0.075 0.000 0.838 727 S HN 0.353 nan 8.310 nan 0.000 0.462 728 F N 2.145 122.093 119.950 -0.002 0.000 2.095 728 F HA -0.064 4.508 4.527 0.074 0.000 0.298 728 F C 2.101 177.898 175.800 -0.005 0.000 1.104 728 F CA 1.773 59.772 58.000 -0.003 0.000 1.232 728 F CB -0.388 38.612 39.000 -0.001 0.000 0.987 728 F HN 0.194 nan 8.300 nan 0.000 0.475 729 M N 0.309 120.084 119.600 0.292 0.000 2.229 729 M HA -0.162 4.363 4.480 0.074 0.000 0.264 729 M C 1.732 178.054 176.300 0.035 0.000 1.063 729 M CA 1.289 56.681 55.300 0.153 0.000 1.114 729 M CB -1.345 31.355 32.600 0.167 0.000 1.387 729 M HN 0.165 nan 8.290 nan 0.000 0.420 730 D N 0.248 120.668 120.400 0.033 0.000 2.117 730 D HA -0.126 4.559 4.640 0.074 0.000 0.198 730 D C 1.959 178.241 176.300 -0.030 0.000 0.982 730 D CA 1.016 55.019 54.000 0.004 0.000 0.828 730 D CB -0.138 40.669 40.800 0.011 0.000 0.967 730 D HN 0.464 nan 8.370 nan 0.000 0.464 731 E N 0.391 120.559 120.200 -0.053 0.000 2.058 731 E HA -0.136 4.259 4.350 0.074 0.000 0.194 731 E C 2.100 178.623 176.600 -0.128 0.000 0.997 731 E CA 0.303 56.647 56.400 -0.094 0.000 0.801 731 E CB -0.031 29.592 29.700 -0.130 0.000 0.746 731 E HN 0.131 nan 8.360 nan 0.000 0.450 732 L N 0.923 122.041 121.223 -0.175 0.000 2.056 732 L HA -0.158 4.227 4.340 0.074 0.000 0.207 732 L C 2.146 178.958 176.870 -0.097 0.000 1.078 732 L CA 1.530 56.266 54.840 -0.173 0.000 0.749 732 L CB -0.494 41.433 42.059 -0.220 0.000 0.901 732 L HN 0.237 nan 8.230 nan 0.000 0.433 733 L N -0.619 120.568 121.223 -0.060 0.000 2.201 733 L HA -0.185 4.199 4.340 0.074 0.000 0.212 733 L C 2.419 179.269 176.870 -0.034 0.000 1.105 733 L CA 1.320 56.139 54.840 -0.036 0.000 0.775 733 L CB -0.687 41.362 42.059 -0.017 0.000 0.913 733 L HN 0.244 nan 8.230 nan 0.000 0.440 734 T N 0.040 114.570 114.554 -0.040 0.000 2.737 734 T HA -0.115 4.280 4.350 0.074 0.000 0.265 734 T C 1.972 176.643 174.700 -0.048 0.000 1.038 734 T CA 1.064 63.145 62.100 -0.033 0.000 1.144 734 T CB -0.180 68.668 68.868 -0.033 0.000 0.866 734 T HN 0.175 nan 8.240 nan 0.000 0.434 735 L N 0.398 121.575 121.223 -0.078 0.000 2.012 735 L HA -0.126 4.259 4.340 0.074 0.000 0.210 735 L C 2.760 179.569 176.870 -0.102 0.000 1.073 735 L CA 1.442 56.217 54.840 -0.109 0.000 0.748 735 L CB -0.559 41.415 42.059 -0.141 0.000 0.891 735 L HN 0.309 nan 8.230 nan 0.000 0.431 736 M N -0.730 118.825 119.600 -0.075 0.000 2.108 736 M HA -0.217 4.307 4.480 0.074 0.000 0.261 736 M C 2.443 178.746 176.300 0.005 0.000 1.066 736 M CA 1.908 57.182 55.300 -0.043 0.000 1.107 736 M CB -0.530 32.054 32.600 -0.027 0.000 1.356 736 M HN 0.339 nan 8.290 nan 0.000 0.406 737 A N 0.056 122.881 122.820 0.008 0.000 2.070 737 A HA 0.042 4.406 4.320 0.074 0.000 0.220 737 A C 2.059 179.682 177.584 0.065 0.000 1.159 737 A CA 1.670 53.729 52.037 0.036 0.000 0.656 737 A CB -0.631 18.384 19.000 0.024 0.000 0.800 737 A HN 0.520 nan 8.150 nan 0.000 0.453 738 A N -2.537 120.304 122.820 0.035 0.000 2.337 738 A HA 0.379 4.744 4.320 0.074 0.000 0.227 738 A C 0.905 178.519 177.584 0.050 0.000 1.259 738 A CA 1.089 53.158 52.037 0.054 0.000 0.870 738 A CB -0.511 18.482 19.000 -0.012 0.000 0.927 738 A HN 0.872 nan 8.150 nan 0.000 0.497 739 H N -0.996 118.023 119.070 -0.085 0.000 4.955 739 H HA -0.205 4.395 4.556 0.074 0.000 0.059 739 H C 0.106 175.225 175.328 -0.348 0.000 0.580 739 H CA 2.502 58.477 56.048 -0.122 0.000 0.969 739 H CB -0.503 29.288 29.762 0.049 0.000 0.469 739 H HN 0.463 nan 8.280 nan 0.000 0.792 740 R N -0.465 119.496 120.500 -0.898 0.000 2.836 740 R HA 0.596 4.981 4.340 0.074 0.000 0.269 740 R C -0.637 174.857 176.300 -1.344 0.000 1.010 740 R CA -0.286 55.044 56.100 -1.285 0.000 0.930 740 R CB 1.693 30.870 30.300 -1.872 0.000 1.218 740 R HN 0.076 nan 8.270 nan 0.000 0.473 741 V N 2.460 121.793 119.914 -0.968 0.000 2.174 741 V HA 0.108 4.273 4.120 0.074 0.000 0.259 741 V C 0.821 176.566 176.094 -0.581 0.000 1.261 741 V CA -0.469 61.429 62.300 -0.669 0.000 1.137 741 V CB -0.422 31.139 31.823 -0.437 0.000 1.290 741 V HN 0.707 nan 8.190 nan 0.000 0.486 742 W N 1.613 122.630 121.300 -0.471 0.000 2.338 742 W HA -0.246 4.458 4.660 0.074 0.000 0.304 742 W C 2.635 178.929 176.519 -0.376 0.000 1.212 742 W CA 1.102 58.066 57.345 -0.634 0.000 1.264 742 W CB -0.525 28.172 29.460 -1.272 0.000 1.142 742 W HN 0.643 nan 8.180 nan 0.000 0.512 743 S N 0.843 116.496 115.700 -0.078 0.000 2.465 743 S HA -0.223 4.292 4.470 0.074 0.000 0.241 743 S C 1.710 176.271 174.600 -0.065 0.000 1.000 743 S CA 1.251 59.421 58.200 -0.049 0.000 0.964 743 S CB -0.479 62.691 63.200 -0.049 0.000 0.763 743 S HN 0.415 nan 8.310 nan 0.000 0.512 744 R N 0.379 120.802 120.500 -0.128 0.000 2.297 744 R HA 0.286 4.671 4.340 0.074 0.000 0.197 744 R C 1.746 177.981 176.300 -0.107 0.000 0.943 744 R CA 0.249 56.256 56.100 -0.156 0.000 1.038 744 R CB -0.306 29.794 30.300 -0.334 0.000 0.957 744 R HN 0.497 nan 8.270 nan 0.000 0.484 745 I N 2.109 122.654 120.570 -0.042 0.000 2.113 745 I HA -0.256 3.959 4.170 0.074 0.000 0.242 745 I C -0.759 175.383 176.117 0.042 0.000 1.064 745 I CA 1.496 62.814 61.300 0.031 0.000 1.320 745 I CB -1.085 36.979 38.000 0.107 0.000 1.028 745 I HN 0.156 nan 8.210 nan 0.000 0.406 746 P HA -0.203 nan 4.420 nan 0.000 0.217 746 P C 1.170 178.501 177.300 0.051 0.000 1.148 746 P CA 1.689 64.818 63.100 0.049 0.000 0.834 746 P CB -0.149 31.576 31.700 0.041 0.000 0.783 747 K N -0.517 119.913 120.400 0.049 0.000 2.365 747 K HA 0.055 4.419 4.320 0.074 0.000 0.197 747 K C 2.073 178.742 176.600 0.115 0.000 1.042 747 K CA 0.740 57.080 56.287 0.088 0.000 0.987 747 K CB -0.376 32.206 32.500 0.135 0.000 0.779 747 K HN 0.306 nan 8.250 nan 0.000 0.484 748 I N -1.537 119.074 120.570 0.070 0.000 2.928 748 I HA -0.046 4.169 4.170 0.074 0.000 0.266 748 I C 0.721 176.884 176.117 0.076 0.000 1.234 748 I CA 1.125 62.471 61.300 0.077 0.000 1.483 748 I CB 0.039 38.038 38.000 -0.002 0.000 1.097 748 I HN -0.106 nan 8.210 nan 0.000 0.455 749 D N 1.816 122.260 120.400 0.074 0.000 2.328 749 D HA -0.040 4.645 4.640 0.074 0.000 0.226 749 D C 1.729 178.067 176.300 0.064 0.000 1.066 749 D CA 0.367 54.410 54.000 0.072 0.000 0.861 749 D CB 0.201 41.048 40.800 0.079 0.000 0.912 749 D HN 0.469 nan 8.370 nan 0.000 0.521 750 K N 1.178 121.615 120.400 0.062 0.000 2.308 750 K HA -0.005 4.360 4.320 0.074 0.000 0.197 750 K C 0.713 177.340 176.600 0.046 0.000 1.049 750 K CA -0.098 56.219 56.287 0.050 0.000 0.991 750 K CB 0.382 32.907 32.500 0.043 0.000 0.836 750 K HN 0.078 nan 8.250 nan 0.000 0.500 751 I N 2.188 122.791 120.570 0.055 0.000 2.683 751 I HA 0.127 4.341 4.170 0.074 0.000 0.286 751 I C -2.350 173.792 176.117 0.041 0.000 1.175 751 I CA -2.018 59.308 61.300 0.042 0.000 1.429 751 I CB -0.179 37.852 38.000 0.051 0.000 1.371 751 I HN -0.082 nan 8.210 nan 0.000 0.569 752 P HA 0.486 nan 4.420 nan 0.000 0.238 752 P C -0.668 176.682 177.300 0.083 0.000 1.794 752 P CA 0.000 63.132 63.100 0.053 0.000 1.088 752 P CB 0.189 31.916 31.700 0.045 0.000 1.923 753 A N 0.000 122.867 122.820 0.078 0.000 2.254 753 A HA 0.000 4.365 4.320 0.074 0.000 0.244 753 A CA 0.000 52.119 52.037 0.137 0.000 0.836 753 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486