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_B DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE 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 53.987 54.000 -0.021 0.000 0.868 27 D CB 0.000 40.787 40.800 -0.021 0.000 0.688 28 S N 0.511 116.190 115.700 -0.035 0.000 2.308 28 S HA 0.146 4.596 4.470 -0.034 0.000 0.238 28 S C -0.144 174.420 174.600 -0.059 0.000 0.648 28 S CA -0.324 57.847 58.200 -0.048 0.000 0.814 28 S CB -0.701 62.474 63.200 -0.043 0.000 1.310 28 S HN 0.380 nan 8.310 nan 0.000 0.428 29 L N 2.208 123.385 121.223 -0.076 0.000 2.408 29 L HA 0.478 4.798 4.340 -0.034 0.000 0.215 29 L C 1.536 178.327 176.870 -0.132 0.000 1.081 29 L CA 0.587 55.378 54.840 -0.082 0.000 0.840 29 L CB -0.259 41.761 42.059 -0.065 0.000 1.002 29 L HN 0.695 nan 8.230 nan 0.000 0.468 30 A N 1.729 124.416 122.820 -0.222 0.000 2.483 30 A HA 0.289 4.589 4.320 -0.034 0.000 0.238 30 A C -2.030 175.416 177.584 -0.230 0.000 1.070 30 A CA -0.912 50.875 52.037 -0.416 0.000 0.770 30 A CB -0.675 17.796 19.000 -0.883 0.000 1.008 30 A HN 0.000 nan 8.150 nan 0.000 0.497 31 P HA 0.048 nan 4.420 nan 0.000 0.265 31 P C 0.155 177.447 177.300 -0.013 0.000 1.193 31 P CA 0.096 63.172 63.100 -0.040 0.000 0.765 31 P CB 0.812 32.525 31.700 0.022 0.000 0.823 32 E N 2.027 122.225 120.200 -0.004 0.000 2.153 32 E HA -0.197 4.133 4.350 -0.034 0.000 0.194 32 E C 1.304 177.925 176.600 0.036 0.000 0.988 32 E CA 1.469 57.875 56.400 0.010 0.000 0.811 32 E CB -0.527 29.174 29.700 0.003 0.000 0.746 32 E HN 0.544 nan 8.360 nan 0.000 0.466 33 D N -1.194 119.232 120.400 0.042 0.000 2.392 33 D HA -0.041 4.579 4.640 -0.034 0.000 0.228 33 D C 1.282 177.627 176.300 0.076 0.000 1.003 33 D CA 1.006 55.036 54.000 0.049 0.000 0.917 33 D CB -0.409 40.414 40.800 0.038 0.000 0.890 33 D HN 0.248 nan 8.370 nan 0.000 0.532 34 G N 0.332 109.215 108.800 0.137 0.000 2.162 34 G HA2 -0.375 3.564 3.960 -0.034 0.000 0.260 34 G HA3 -0.375 3.564 3.960 -0.034 0.000 0.260 34 G C 1.030 176.006 174.900 0.126 0.000 0.976 34 G CA 1.005 46.214 45.100 0.183 0.000 0.655 34 G HN 0.767 nan 8.290 nan 0.000 0.533 35 S N 0.727 116.513 115.700 0.143 0.000 2.603 35 S HA -0.046 4.403 4.470 -0.034 0.000 0.229 35 S C 1.939 176.601 174.600 0.104 0.000 0.972 35 S CA 1.251 59.500 58.200 0.081 0.000 0.935 35 S CB -0.585 62.652 63.200 0.063 0.000 0.769 35 S HN 0.965 nan 8.310 nan 0.000 0.536 36 H N 0.248 119.326 119.070 0.013 0.000 2.512 36 H HA 0.317 4.853 4.556 -0.034 0.000 0.279 36 H C 0.657 175.997 175.328 0.021 0.000 0.999 36 H CA 0.183 56.240 56.048 0.014 0.000 1.283 36 H CB -0.352 29.417 29.762 0.013 0.000 1.421 36 H HN 0.257 nan 8.280 nan 0.000 0.554 37 R N 2.987 123.097 120.500 -0.651 0.000 2.255 37 R HA 0.330 4.650 4.340 -0.034 0.000 0.326 37 R C -2.397 173.800 176.300 -0.172 0.000 0.986 37 R CA -2.270 53.583 56.100 -0.411 0.000 0.847 37 R CB 0.837 30.810 30.300 -0.545 0.000 1.111 37 R HN 0.191 nan 8.270 nan 0.000 0.452 38 P HA 0.126 nan 4.420 nan 0.000 0.271 38 P C -0.916 176.373 177.300 -0.017 0.000 1.218 38 P CA -0.386 62.701 63.100 -0.023 0.000 0.780 38 P CB 0.941 32.654 31.700 0.021 0.000 0.901 39 A N 2.651 125.468 122.820 -0.004 0.000 2.462 39 A HA 0.399 4.699 4.320 -0.034 0.000 0.243 39 A C 0.956 178.551 177.584 0.018 0.000 1.076 39 A CA 0.018 52.057 52.037 0.003 0.000 0.773 39 A CB -0.332 18.672 19.000 0.008 0.000 1.010 39 A HN 0.577 nan 8.150 nan 0.000 0.493 40 A N 2.845 125.676 122.820 0.018 0.000 3.118 40 A HA 0.505 4.804 4.320 -0.034 0.000 0.256 40 A C 0.287 177.890 177.584 0.031 0.000 1.667 40 A CA 0.158 52.212 52.037 0.028 0.000 1.338 40 A CB -0.883 18.131 19.000 0.023 0.000 1.127 40 A HN 0.906 nan 8.150 nan 0.000 0.634 41 E N -0.482 119.739 120.200 0.035 0.000 2.390 41 E HA 0.479 4.809 4.350 -0.034 0.000 0.280 41 E C -3.253 173.372 176.600 0.040 0.000 0.992 41 E CA -2.427 53.995 56.400 0.036 0.000 0.790 41 E CB 1.019 30.735 29.700 0.027 0.000 1.248 41 E HN 0.043 nan 8.360 nan 0.000 0.447 42 P HA 0.028 nan 4.420 nan 0.000 0.263 42 P C -0.588 176.727 177.300 0.025 0.000 1.195 42 P CA 0.389 63.510 63.100 0.035 0.000 0.762 42 P CB 0.376 32.086 31.700 0.017 0.000 0.799 43 T N 1.039 115.605 114.554 0.021 0.000 2.903 43 T HA 0.635 4.965 4.350 -0.034 0.000 0.299 43 T C -3.039 171.642 174.700 -0.032 0.000 1.093 43 T CA -2.740 59.365 62.100 0.009 0.000 1.002 43 T CB 1.680 70.556 68.868 0.015 0.000 1.127 43 T HN 0.016 nan 8.240 nan 0.000 0.488 44 P HA 0.350 nan 4.420 nan 0.000 0.272 44 P C -2.733 174.434 177.300 -0.222 0.000 1.223 44 P CA -1.654 61.301 63.100 -0.241 0.000 0.784 44 P CB -0.966 30.663 31.700 -0.119 0.000 0.923 45 P HA 0.027 nan 4.420 nan 0.000 0.260 45 P C 1.037 178.291 177.300 -0.077 0.000 1.185 45 P CA 1.443 64.443 63.100 -0.168 0.000 0.763 45 P CB -0.414 31.184 31.700 -0.171 0.000 0.776 46 G N 3.088 111.872 108.800 -0.027 0.000 2.179 46 G HA2 -0.312 3.628 3.960 -0.034 0.000 0.260 46 G HA3 -0.312 3.628 3.960 -0.034 0.000 0.260 46 G C 1.058 175.959 174.900 0.001 0.000 0.977 46 G CA 0.317 45.415 45.100 -0.002 0.000 0.641 46 G HN 0.670 nan 8.290 nan 0.000 0.533 47 A N -1.202 121.615 122.820 -0.006 0.000 1.970 47 A HA 0.449 4.749 4.320 -0.034 0.000 0.216 47 A C 1.363 178.953 177.584 0.010 0.000 1.170 47 A CA 1.885 53.924 52.037 0.004 0.000 0.645 47 A CB 0.038 19.040 19.000 0.002 0.000 0.816 47 A HN 0.517 nan 8.150 nan 0.000 0.447 48 Q N -1.112 118.697 119.800 0.015 0.000 2.544 48 Q HA 0.430 4.749 4.340 -0.034 0.000 0.291 48 Q C -2.989 173.027 176.000 0.027 0.000 1.068 48 Q CA -2.088 53.727 55.803 0.020 0.000 0.785 48 Q CB 0.742 29.495 28.738 0.025 0.000 1.481 48 Q HN 0.040 nan 8.270 nan 0.000 0.430 49 P HA 0.064 nan 4.420 nan 0.000 0.271 49 P C -0.324 177.007 177.300 0.051 0.000 1.220 49 P CA 0.013 63.128 63.100 0.025 0.000 0.768 49 P CB 0.260 31.971 31.700 0.019 0.000 0.848 50 T N 0.225 114.809 114.554 0.050 0.000 2.856 50 T HA 0.556 4.886 4.350 -0.034 0.000 0.306 50 T C 0.084 174.863 174.700 0.133 0.000 1.062 50 T CA -0.447 61.729 62.100 0.126 0.000 1.083 50 T CB 0.572 69.444 68.868 0.007 0.000 0.984 50 T HN 0.537 nan 8.240 nan 0.000 0.542 51 A N 2.113 125.105 122.820 0.285 0.000 2.593 51 A HA 0.799 5.099 4.320 -0.034 0.000 0.290 51 A C -3.005 174.839 177.584 0.434 0.000 1.126 51 A CA -2.112 50.076 52.037 0.252 0.000 0.695 51 A CB 0.600 19.704 19.000 0.172 0.000 1.290 51 A HN 0.661 nan 8.150 nan 0.000 0.414 52 P HA 0.117 nan 4.420 nan 0.000 0.264 52 P C 1.233 178.688 177.300 0.259 0.000 1.183 52 P CA 0.992 64.305 63.100 0.355 0.000 0.763 52 P CB 0.502 32.332 31.700 0.218 0.000 0.807 53 G N 2.885 111.802 108.800 0.194 0.000 2.513 53 G HA2 -0.340 3.600 3.960 -0.034 0.000 0.219 53 G HA3 -0.340 3.600 3.960 -0.034 0.000 0.219 53 G C 1.612 176.535 174.900 0.039 0.000 1.160 53 G CA 1.295 46.422 45.100 0.044 0.000 0.767 53 G HN 0.592 nan 8.290 nan 0.000 0.571 54 S N -0.079 115.648 115.700 0.045 0.000 2.474 54 S HA 0.138 4.587 4.470 -0.034 0.000 0.235 54 S C 2.257 176.880 174.600 0.039 0.000 0.997 54 S CA 0.930 59.141 58.200 0.020 0.000 0.949 54 S CB -0.160 63.045 63.200 0.008 0.000 0.766 54 S HN 0.331 nan 8.310 nan 0.000 0.517 55 L N -0.063 121.200 121.223 0.067 0.000 2.202 55 L HA 0.243 4.563 4.340 -0.034 0.000 0.205 55 L C 2.705 179.612 176.870 0.062 0.000 1.083 55 L CA 0.914 55.792 54.840 0.064 0.000 0.790 55 L CB -0.328 41.778 42.059 0.078 0.000 0.942 55 L HN 0.256 nan 8.230 nan 0.000 0.452 56 K N 1.247 121.695 120.400 0.081 0.000 2.103 56 K HA 0.033 4.333 4.320 -0.034 0.000 0.204 56 K C 0.578 177.211 176.600 0.054 0.000 1.052 56 K CA 1.207 57.541 56.287 0.078 0.000 0.945 56 K CB 0.154 32.720 32.500 0.110 0.000 0.722 56 K HN 0.150 nan 8.250 nan 0.000 0.443 57 A N 0.708 123.552 122.820 0.039 0.000 3.266 57 A HA 0.351 4.651 4.320 -0.034 0.000 0.310 57 A C -2.251 175.339 177.584 0.011 0.000 1.066 57 A CA -1.016 51.040 52.037 0.031 0.000 0.839 57 A CB 0.716 19.739 19.000 0.038 0.000 1.192 57 A HN 0.112 nan 8.150 nan 0.000 0.496 58 P HA -0.118 nan 4.420 nan 0.000 0.220 58 P C 0.171 177.466 177.300 -0.009 0.000 1.148 58 P CA 1.251 64.352 63.100 0.001 0.000 0.803 58 P CB 0.304 32.009 31.700 0.008 0.000 0.782 59 D N -1.138 119.261 120.400 -0.002 0.000 2.340 59 D HA 0.037 4.657 4.640 -0.034 0.000 0.217 59 D C 0.128 176.417 176.300 -0.018 0.000 1.081 59 D CA 0.408 54.402 54.000 -0.009 0.000 0.842 59 D CB -0.103 40.698 40.800 0.001 0.000 0.934 59 D HN 0.100 nan 8.370 nan 0.000 0.511 60 T N 1.734 116.274 114.554 -0.022 0.000 2.727 60 T HA 0.352 4.682 4.350 -0.034 0.000 0.295 60 T C 0.466 175.122 174.700 -0.073 0.000 0.915 60 T CA -0.095 61.979 62.100 -0.042 0.000 1.066 60 T CB 1.045 69.885 68.868 -0.046 0.000 0.891 60 T HN -0.067 nan 8.240 nan 0.000 0.516 61 R N 2.673 123.122 120.500 -0.085 0.000 2.867 61 R HA 0.694 5.014 4.340 -0.034 0.000 0.268 61 R C -0.665 175.570 176.300 -0.108 0.000 1.014 61 R CA -1.017 55.025 56.100 -0.098 0.000 0.946 61 R CB 1.516 31.768 30.300 -0.080 0.000 1.208 61 R HN 0.760 nan 8.270 nan 0.000 0.477 62 N N -1.792 116.847 118.700 -0.103 0.000 2.927 62 N HA 0.005 4.725 4.740 -0.034 0.000 0.248 62 N C -0.103 175.358 175.510 -0.081 0.000 1.443 62 N CA -0.907 52.094 53.050 -0.081 0.000 0.870 62 N CB 0.818 39.285 38.487 -0.034 0.000 1.444 62 N HN 0.638 nan 8.380 nan 0.000 0.519 63 E N -0.159 120.008 120.200 -0.055 0.000 2.130 63 E HA -0.303 4.027 4.350 -0.034 0.000 0.196 63 E C 1.026 177.553 176.600 -0.122 0.000 0.998 63 E CA 1.577 57.940 56.400 -0.063 0.000 0.806 63 E CB 0.109 29.799 29.700 -0.017 0.000 0.738 63 E HN 0.503 nan 8.360 nan 0.000 0.459 64 K N 0.671 120.963 120.400 -0.179 0.000 2.007 64 K HA -0.062 4.237 4.320 -0.034 0.000 0.206 64 K C 2.136 178.565 176.600 -0.285 0.000 1.047 64 K CA 1.182 57.269 56.287 -0.334 0.000 0.937 64 K CB -0.477 31.661 32.500 -0.602 0.000 0.718 64 K HN 0.173 nan 8.250 nan 0.000 0.438 65 L N 1.101 122.161 121.223 -0.270 0.000 2.042 65 L HA -0.241 4.079 4.340 -0.034 0.000 0.210 65 L C 1.874 178.625 176.870 -0.199 0.000 1.076 65 L CA 1.431 56.089 54.840 -0.304 0.000 0.749 65 L CB -0.652 41.224 42.059 -0.305 0.000 0.893 65 L HN 0.296 nan 8.230 nan 0.000 0.432 66 N N -0.403 118.208 118.700 -0.148 0.000 2.244 66 N HA -0.133 4.586 4.740 -0.034 0.000 0.183 66 N C 1.997 177.446 175.510 -0.102 0.000 1.016 66 N CA 1.590 54.576 53.050 -0.107 0.000 0.866 66 N CB -0.338 38.101 38.487 -0.080 0.000 0.980 66 N HN 0.370 nan 8.380 nan 0.000 0.430 67 S N 0.220 115.848 115.700 -0.119 0.000 2.561 67 S HA 0.107 4.556 4.470 -0.034 0.000 0.225 67 S C 1.762 176.298 174.600 -0.107 0.000 0.977 67 S CA 0.097 58.236 58.200 -0.102 0.000 0.926 67 S CB -0.361 62.778 63.200 -0.101 0.000 0.769 67 S HN 0.204 nan 8.310 nan 0.000 0.533 68 L N 0.698 121.843 121.223 -0.131 0.000 2.492 68 L HA 0.169 4.489 4.340 -0.034 0.000 0.223 68 L C 2.645 179.466 176.870 -0.082 0.000 1.132 68 L CA 0.645 55.415 54.840 -0.117 0.000 0.850 68 L CB -0.342 41.628 42.059 -0.148 0.000 0.966 68 L HN 0.296 nan 8.230 nan 0.000 0.454 69 E N 1.000 121.155 120.200 -0.075 0.000 2.209 69 E HA -0.261 4.068 4.350 -0.034 0.000 0.196 69 E C 1.646 178.224 176.600 -0.037 0.000 0.993 69 E CA 1.512 57.882 56.400 -0.051 0.000 0.819 69 E CB -0.061 29.610 29.700 -0.047 0.000 0.745 69 E HN 0.569 nan 8.360 nan 0.000 0.477 70 D N -0.613 119.764 120.400 -0.038 0.000 2.263 70 D HA -0.136 4.484 4.640 -0.034 0.000 0.208 70 D C 1.585 177.870 176.300 -0.025 0.000 0.971 70 D CA 1.443 55.426 54.000 -0.029 0.000 0.867 70 D CB -0.289 40.493 40.800 -0.029 0.000 0.929 70 D HN 0.303 nan 8.370 nan 0.000 0.492 71 V N -3.648 116.249 119.914 -0.028 0.000 3.528 71 V HA 0.335 4.435 4.120 -0.034 0.000 0.294 71 V C 0.857 176.942 176.094 -0.014 0.000 1.404 71 V CA -0.714 61.574 62.300 -0.019 0.000 1.065 71 V CB -0.569 31.244 31.823 -0.017 0.000 0.904 71 V HN -0.170 nan 8.190 nan 0.000 0.435 72 R N 2.080 122.570 120.500 -0.017 0.000 2.537 72 R HA 0.390 4.710 4.340 -0.034 0.000 0.280 72 R C -0.072 176.225 176.300 -0.005 0.000 1.058 72 R CA 0.141 56.238 56.100 -0.005 0.000 1.057 72 R CB 0.662 30.959 30.300 -0.005 0.000 0.973 72 R HN 0.367 nan 8.270 nan 0.000 0.438 73 K N 1.361 121.762 120.400 0.001 0.000 2.345 73 K HA 0.318 4.618 4.320 -0.034 0.000 0.255 73 K C -0.078 176.527 176.600 0.008 0.000 0.934 73 K CA -0.470 55.805 56.287 -0.021 0.000 0.801 73 K CB 1.825 34.300 32.500 -0.041 0.000 1.137 73 K HN 0.738 nan 8.250 nan 0.000 0.424 74 G N 0.631 109.445 108.800 0.023 0.000 2.504 74 G HA2 0.235 4.174 3.960 -0.034 0.000 0.257 74 G HA3 0.235 4.174 3.960 -0.034 0.000 0.257 74 G C 0.377 175.350 174.900 0.121 0.000 1.451 74 G CA 0.371 45.536 45.100 0.109 0.000 1.059 74 G HN 0.725 nan 8.290 nan 0.000 0.550 75 S N -2.626 113.227 115.700 0.255 0.000 3.299 75 S HA 0.087 4.537 4.470 -0.034 0.000 0.213 75 S C 0.217 174.992 174.600 0.292 0.000 0.997 75 S CA -0.118 58.234 58.200 0.254 0.000 1.189 75 S CB -0.011 63.267 63.200 0.130 0.000 1.106 75 S HN 0.515 nan 8.310 nan 0.000 0.403 76 E N 3.234 123.537 120.200 0.171 0.000 2.502 76 E HA 0.225 4.555 4.350 -0.034 0.000 0.261 76 E C -0.200 176.370 176.600 -0.050 0.000 0.974 76 E CA 0.477 56.917 56.400 0.066 0.000 0.936 76 E CB -0.036 29.689 29.700 0.042 0.000 0.926 76 E HN 0.414 nan 8.360 nan 0.000 0.459 77 N N 0.550 119.207 118.700 -0.071 0.000 2.828 77 N HA -0.220 4.499 4.740 -0.034 0.000 0.248 77 N C -1.102 174.265 175.510 -0.240 0.000 1.044 77 N CA 1.160 54.109 53.050 -0.168 0.000 0.851 77 N CB -1.258 37.083 38.487 -0.244 0.000 1.136 77 N HN 0.381 nan 8.380 nan 0.000 0.572 78 Y N 0.554 120.860 120.300 0.009 0.000 2.457 78 Y HA 0.635 5.165 4.550 -0.033 0.000 0.333 78 Y C 0.853 176.756 175.900 0.005 0.000 1.119 78 Y CA -0.504 57.600 58.100 0.007 0.000 1.143 78 Y CB 1.146 39.611 38.460 0.008 0.000 1.230 78 Y HN 0.115 nan 8.280 nan 0.000 0.469 79 A N 2.400 125.337 122.820 0.195 0.000 2.371 79 A HA 0.433 4.733 4.320 -0.034 0.000 0.257 79 A C -0.850 176.783 177.584 0.082 0.000 1.089 79 A CA -0.526 51.574 52.037 0.104 0.000 0.794 79 A CB 0.163 19.211 19.000 0.081 0.000 1.029 79 A HN 0.696 nan 8.150 nan 0.000 0.488 80 L N 2.754 124.005 121.223 0.047 0.000 2.410 80 L HA 0.511 4.831 4.340 -0.034 0.000 0.273 80 L C 0.612 177.490 176.870 0.013 0.000 1.144 80 L CA 1.145 55.998 54.840 0.022 0.000 0.863 80 L CB 0.323 42.387 42.059 0.008 0.000 1.140 80 L HN 0.909 nan 8.230 nan 0.000 0.463 81 T N 0.391 114.947 114.554 0.003 0.000 2.865 81 T HA 0.650 4.980 4.350 -0.034 0.000 0.294 81 T C 0.161 174.860 174.700 -0.002 0.000 1.119 81 T CA -0.199 61.905 62.100 0.007 0.000 1.007 81 T CB 1.057 69.932 68.868 0.012 0.000 1.225 81 T HN 0.789 nan 8.240 nan 0.000 0.515 82 T N 0.359 114.924 114.554 0.020 0.000 2.726 82 T HA 0.217 4.547 4.350 -0.034 0.000 0.294 82 T C 1.029 175.740 174.700 0.019 0.000 1.013 82 T CA -0.507 61.611 62.100 0.030 0.000 0.996 82 T CB -0.054 68.874 68.868 0.100 0.000 1.016 82 T HN 0.570 nan 8.240 nan 0.000 0.529 83 N N 0.532 119.244 118.700 0.019 0.000 2.573 83 N HA -0.057 4.662 4.740 -0.034 0.000 0.187 83 N C 1.492 177.018 175.510 0.027 0.000 1.107 83 N CA 0.469 53.524 53.050 0.008 0.000 0.918 83 N CB -0.130 38.367 38.487 0.017 0.000 0.966 83 N HN 0.551 nan 8.380 nan 0.000 0.448 84 Q N -0.648 119.182 119.800 0.049 0.000 2.360 84 Q HA 0.195 4.514 4.340 -0.034 0.000 0.202 84 Q C 0.920 176.941 176.000 0.035 0.000 0.915 84 Q CA 0.211 56.040 55.803 0.043 0.000 0.943 84 Q CB 0.489 29.260 28.738 0.055 0.000 1.064 84 Q HN 0.401 nan 8.270 nan 0.000 0.511 85 G N 0.333 109.152 108.800 0.032 0.000 2.157 85 G HA2 -0.232 3.707 3.960 -0.034 0.000 0.239 85 G HA3 -0.232 3.707 3.960 -0.034 0.000 0.239 85 G C 0.109 175.034 174.900 0.042 0.000 0.982 85 G CA 0.106 45.221 45.100 0.025 0.000 0.650 85 G HN 0.215 nan 8.290 nan 0.000 0.527 86 V N 2.179 122.134 119.914 0.068 0.000 2.432 86 V HA 0.357 4.457 4.120 -0.034 0.000 0.271 86 V C 1.248 177.382 176.094 0.065 0.000 1.046 86 V CA -0.484 61.868 62.300 0.087 0.000 0.945 86 V CB 0.929 32.850 31.823 0.163 0.000 0.992 86 V HN 0.410 nan 8.190 nan 0.000 0.471 87 R N 4.784 125.315 120.500 0.052 0.000 2.537 87 R HA 0.397 4.717 4.340 -0.034 0.000 0.280 87 R C -0.576 175.738 176.300 0.023 0.000 1.058 87 R CA -0.158 55.963 56.100 0.035 0.000 1.057 87 R CB 0.557 30.878 30.300 0.035 0.000 0.973 87 R HN 0.566 nan 8.270 nan 0.000 0.438 88 I N 2.090 122.662 120.570 0.003 0.000 2.331 88 I HA 0.120 4.270 4.170 -0.034 0.000 0.292 88 I C 1.001 177.109 176.117 -0.015 0.000 0.998 88 I CA 0.028 61.315 61.300 -0.022 0.000 1.267 88 I CB 1.840 39.816 38.000 -0.041 0.000 1.386 88 I HN 0.789 nan 8.210 nan 0.000 0.476 89 A N 4.150 126.959 122.820 -0.019 0.000 1.911 89 A HA 0.003 4.303 4.320 -0.034 0.000 0.212 89 A C 0.691 178.262 177.584 -0.022 0.000 1.189 89 A CA 0.963 52.991 52.037 -0.014 0.000 0.639 89 A CB 0.043 19.039 19.000 -0.008 0.000 0.839 89 A HN 0.681 nan 8.150 nan 0.000 0.449 90 D N -0.673 119.706 120.400 -0.034 0.000 2.473 90 D HA 0.338 4.958 4.640 -0.034 0.000 0.253 90 D C -1.378 174.892 176.300 -0.051 0.000 1.233 90 D CA -0.378 53.599 54.000 -0.038 0.000 0.908 90 D CB 1.280 42.059 40.800 -0.035 0.000 1.170 90 D HN 0.051 nan 8.370 nan 0.000 0.558 91 D N 2.094 122.466 120.400 -0.046 0.000 2.395 91 D HA 0.064 4.684 4.640 -0.034 0.000 0.226 91 D C 0.588 176.856 176.300 -0.053 0.000 1.146 91 D CA 0.247 54.215 54.000 -0.053 0.000 0.830 91 D CB 0.507 41.280 40.800 -0.046 0.000 0.958 91 D HN 0.219 nan 8.370 nan 0.000 0.501 92 Q N -0.675 119.095 119.800 -0.049 0.000 2.280 92 Q HA 0.272 4.592 4.340 -0.034 0.000 0.228 92 Q C -0.165 175.805 176.000 -0.049 0.000 0.857 92 Q CA 0.219 55.994 55.803 -0.047 0.000 0.939 92 Q CB 0.776 29.491 28.738 -0.038 0.000 1.114 92 Q HN 0.202 nan 8.270 nan 0.000 0.514 93 N N 0.096 118.766 118.700 -0.051 0.000 2.242 93 N HA 0.331 5.050 4.740 -0.034 0.000 0.292 93 N C -0.929 174.548 175.510 -0.054 0.000 1.125 93 N CA -0.251 52.771 53.050 -0.047 0.000 0.783 93 N CB 2.129 40.593 38.487 -0.037 0.000 1.558 93 N HN -0.180 nan 8.380 nan 0.000 0.472 94 S N 0.719 116.390 115.700 -0.048 0.000 2.632 94 S HA 0.289 4.739 4.470 -0.034 0.000 0.267 94 S C 0.103 174.679 174.600 -0.039 0.000 1.276 94 S CA -0.566 57.604 58.200 -0.048 0.000 0.998 94 S CB 0.699 63.877 63.200 -0.037 0.000 0.953 94 S HN 0.393 nan 8.310 nan 0.000 0.547 95 L N 3.313 124.514 121.223 -0.037 0.000 2.319 95 L HA 0.435 4.754 4.340 -0.034 0.000 0.280 95 L C 0.029 176.893 176.870 -0.010 0.000 1.099 95 L CA 0.340 55.167 54.840 -0.022 0.000 0.828 95 L CB -0.071 41.979 42.059 -0.014 0.000 1.150 95 L HN 0.706 nan 8.230 nan 0.000 0.442 96 R N 4.179 124.675 120.500 -0.007 0.000 2.836 96 R HA 0.864 5.183 4.340 -0.034 0.000 0.269 96 R C -1.068 175.232 176.300 0.000 0.000 1.010 96 R CA -0.860 55.238 56.100 -0.003 0.000 0.930 96 R CB 1.112 31.408 30.300 -0.007 0.000 1.218 96 R HN 0.593 nan 8.270 nan 0.000 0.473 97 A N 1.229 124.051 122.820 0.002 0.000 2.666 97 A HA 0.578 4.878 4.320 -0.034 0.000 0.312 97 A C 0.568 178.152 177.584 0.001 0.000 1.471 97 A CA 0.335 52.374 52.037 0.004 0.000 1.134 97 A CB -0.945 18.058 19.000 0.005 0.000 1.129 97 A HN 1.189 nan 8.150 nan 0.000 0.539 98 G N 1.035 109.835 108.800 -0.000 0.000 2.692 98 G HA2 0.062 4.002 3.960 -0.034 0.000 0.686 98 G HA3 0.062 4.002 3.960 -0.034 0.000 0.686 98 G C 0.683 175.580 174.900 -0.004 0.000 1.243 98 G CA 0.175 45.274 45.100 -0.002 0.000 0.782 98 G HN 1.842 nan 8.290 nan 0.000 0.625 99 S N -0.266 115.431 115.700 -0.005 0.000 2.515 99 S HA 0.010 4.460 4.470 -0.034 0.000 0.231 99 S C 1.570 176.165 174.600 -0.008 0.000 0.987 99 S CA 1.436 59.632 58.200 -0.008 0.000 0.936 99 S CB 0.039 63.234 63.200 -0.008 0.000 0.766 99 S HN 0.746 nan 8.310 nan 0.000 0.528 100 R N 0.691 121.187 120.500 -0.007 0.000 2.577 100 R HA 0.336 4.655 4.340 -0.034 0.000 0.344 100 R C 0.971 177.267 176.300 -0.005 0.000 1.037 100 R CA 0.072 56.168 56.100 -0.007 0.000 1.102 100 R CB 0.765 31.062 30.300 -0.006 0.000 1.313 100 R HN 0.442 nan 8.270 nan 0.000 0.561 101 G N 1.833 110.630 108.800 -0.005 0.000 2.525 101 G HA2 0.310 4.249 3.960 -0.034 0.000 0.287 101 G HA3 0.310 4.249 3.960 -0.034 0.000 0.287 101 G C -2.319 172.579 174.900 -0.003 0.000 1.350 101 G CA -1.033 44.065 45.100 -0.003 0.000 1.039 101 G HN -0.089 nan 8.290 nan 0.000 0.513 102 P HA 0.193 nan 4.420 nan 0.000 0.275 102 P C -0.091 177.209 177.300 0.000 0.000 1.227 102 P CA -0.050 63.050 63.100 -0.000 0.000 0.781 102 P CB 0.769 32.471 31.700 0.003 0.000 0.906 103 T N 3.309 117.862 114.554 -0.001 0.000 2.930 103 T HA 0.184 4.514 4.350 -0.034 0.000 0.306 103 T C 0.547 175.251 174.700 0.006 0.000 1.045 103 T CA 0.004 62.103 62.100 -0.001 0.000 1.134 103 T CB 0.032 68.897 68.868 -0.005 0.000 0.961 103 T HN 0.214 nan 8.240 nan 0.000 0.545 104 L N 3.485 124.714 121.223 0.010 0.000 2.325 104 L HA 0.298 4.618 4.340 -0.034 0.000 0.279 104 L C 1.315 178.202 176.870 0.029 0.000 1.054 104 L CA -0.787 54.065 54.840 0.019 0.000 0.804 104 L CB 1.225 43.297 42.059 0.022 0.000 1.200 104 L HN 0.525 nan 8.230 nan 0.000 0.436 105 L N 2.475 123.718 121.223 0.033 0.000 2.191 105 L HA -0.188 4.132 4.340 -0.034 0.000 0.212 105 L C 2.298 179.207 176.870 0.065 0.000 1.103 105 L CA 1.651 56.517 54.840 0.043 0.000 0.769 105 L CB -0.537 41.545 42.059 0.038 0.000 0.908 105 L HN 0.775 nan 8.230 nan 0.000 0.438 106 E N -1.569 118.674 120.200 0.071 0.000 2.516 106 E HA -0.166 4.163 4.350 -0.034 0.000 0.199 106 E C 0.195 176.897 176.600 0.170 0.000 1.069 106 E CA 0.186 56.653 56.400 0.113 0.000 0.876 106 E CB -0.464 29.292 29.700 0.093 0.000 0.843 106 E HN 0.346 nan 8.360 nan 0.000 0.530 107 D N 1.196 121.653 120.400 0.096 0.000 2.455 107 D HA -0.043 4.577 4.640 -0.034 0.000 0.234 107 D C 0.399 176.718 176.300 0.032 0.000 1.224 107 D CA -0.474 53.543 54.000 0.029 0.000 0.999 107 D CB -0.107 40.677 40.800 -0.027 0.000 1.072 107 D HN 0.312 nan 8.370 nan 0.000 0.514 108 F N 2.284 122.242 119.950 0.014 0.000 2.456 108 F HA 0.119 4.625 4.527 -0.035 0.000 0.298 108 F C 1.528 177.340 175.800 0.020 0.000 1.104 108 F CA 0.087 58.098 58.000 0.018 0.000 1.435 108 F CB -0.530 38.480 39.000 0.016 0.000 1.078 108 F HN 0.185 nan 8.300 nan 0.000 0.546 109 I N 0.340 120.435 120.570 -0.791 0.000 2.193 109 I HA -0.181 3.968 4.170 -0.034 0.000 0.240 109 I C 2.485 178.478 176.117 -0.207 0.000 1.084 109 I CA 1.006 61.999 61.300 -0.512 0.000 1.365 109 I CB -0.599 37.044 38.000 -0.594 0.000 1.064 109 I HN 0.262 nan 8.210 nan 0.000 0.410 110 L N 1.275 122.394 121.223 -0.173 0.000 1.990 110 L HA -0.250 4.069 4.340 -0.034 0.000 0.213 110 L C 2.674 179.528 176.870 -0.026 0.000 1.072 110 L CA 1.962 56.751 54.840 -0.084 0.000 0.755 110 L CB -0.566 41.453 42.059 -0.066 0.000 0.889 110 L HN 0.076 nan 8.230 nan 0.000 0.432 111 R N -0.750 119.752 120.500 0.003 0.000 2.096 111 R HA -0.176 4.143 4.340 -0.034 0.000 0.235 111 R C 2.317 178.668 176.300 0.085 0.000 1.127 111 R CA 1.527 57.661 56.100 0.057 0.000 0.968 111 R CB -0.377 29.971 30.300 0.080 0.000 0.861 111 R HN 0.602 nan 8.270 nan 0.000 0.440 112 E N 1.142 121.392 120.200 0.083 0.000 2.106 112 E HA -0.214 4.115 4.350 -0.034 0.000 0.192 112 E C 1.924 178.596 176.600 0.121 0.000 0.984 112 E CA 1.090 57.559 56.400 0.114 0.000 0.806 112 E CB 0.148 29.914 29.700 0.111 0.000 0.750 112 E HN 0.155 nan 8.360 nan 0.000 0.458 113 K N 0.333 120.772 120.400 0.064 0.000 2.025 113 K HA -0.123 4.177 4.320 -0.034 0.000 0.207 113 K C 2.101 178.776 176.600 0.124 0.000 1.049 113 K CA 1.224 57.551 56.287 0.066 0.000 0.933 113 K CB -0.006 32.490 32.500 -0.007 0.000 0.714 113 K HN 0.120 nan 8.250 nan 0.000 0.438 114 I N 1.438 122.063 120.570 0.092 0.000 2.315 114 I HA -0.179 3.971 4.170 -0.034 0.000 0.248 114 I C 2.143 178.387 176.117 0.213 0.000 1.117 114 I CA 1.294 62.674 61.300 0.134 0.000 1.404 114 I CB -1.466 36.573 38.000 0.066 0.000 1.071 114 I HN 0.242 nan 8.210 nan 0.000 0.419 115 T N -0.175 114.493 114.554 0.191 0.000 2.652 115 T HA -0.231 4.099 4.350 -0.034 0.000 0.267 115 T C 1.974 176.850 174.700 0.294 0.000 1.039 115 T CA 1.536 63.782 62.100 0.245 0.000 1.153 115 T CB -0.452 68.549 68.868 0.222 0.000 0.863 115 T HN 0.350 nan 8.240 nan 0.000 0.428 116 H N -0.068 119.111 119.070 0.183 0.000 2.352 116 H HA -0.093 4.443 4.556 -0.033 0.000 0.299 116 H C 2.217 177.620 175.328 0.125 0.000 1.097 116 H CA 1.722 57.858 56.048 0.145 0.000 1.311 116 H CB -0.449 29.372 29.762 0.097 0.000 1.377 116 H HN 0.406 nan 8.280 nan 0.000 0.504 117 F N 2.072 122.101 119.950 0.131 0.000 2.095 117 F HA -0.197 4.311 4.527 -0.031 0.000 0.298 117 F C 2.021 177.786 175.800 -0.058 0.000 1.104 117 F CA 1.789 59.810 58.000 0.035 0.000 1.232 117 F CB -0.354 38.657 39.000 0.018 0.000 0.987 117 F HN 0.060 nan 8.300 nan 0.000 0.475 118 D N -1.091 119.265 120.400 -0.073 0.000 2.263 118 D HA -0.154 4.465 4.640 -0.034 0.000 0.208 118 D C 1.243 177.193 176.300 -0.583 0.000 0.971 118 D CA 1.221 55.012 54.000 -0.348 0.000 0.867 118 D CB -0.442 40.158 40.800 -0.334 0.000 0.929 118 D HN 0.519 nan 8.370 nan 0.000 0.492 119 H N -0.129 118.823 119.070 -0.198 0.000 2.469 119 H HA 0.215 4.750 4.556 -0.035 0.000 0.286 119 H C 1.041 176.202 175.328 -0.279 0.000 1.106 119 H CA -0.074 55.848 56.048 -0.210 0.000 1.055 119 H CB 0.536 30.189 29.762 -0.182 0.000 1.618 119 H HN 0.279 nan 8.280 nan 0.000 0.559 120 E N 0.716 120.751 120.200 -0.275 0.000 2.106 120 E HA -0.054 4.275 4.350 -0.034 0.000 0.192 120 E C 0.568 177.008 176.600 -0.268 0.000 0.984 120 E CA 0.569 56.778 56.400 -0.319 0.000 0.806 120 E CB 0.414 29.905 29.700 -0.349 0.000 0.750 120 E HN 0.174 nan 8.360 nan 0.000 0.458 121 R N 1.252 121.649 120.500 -0.170 0.000 2.490 121 R HA 0.325 4.645 4.340 -0.034 0.000 0.278 121 R C 0.480 176.808 176.300 0.045 0.000 1.069 121 R CA -0.122 55.951 56.100 -0.045 0.000 1.080 121 R CB 0.439 30.704 30.300 -0.058 0.000 1.030 121 R HN 0.198 nan 8.270 nan 0.000 0.491 122 I N -1.230 119.427 120.570 0.144 0.000 2.892 122 I HA 0.568 4.717 4.170 -0.034 0.000 0.306 122 I C -2.297 173.874 176.117 0.090 0.000 1.078 122 I CA -2.972 58.405 61.300 0.127 0.000 1.032 122 I CB 2.005 40.112 38.000 0.178 0.000 1.229 122 I HN 0.248 nan 8.210 nan 0.000 0.435 123 P HA 0.090 nan 4.420 nan 0.000 0.265 123 P C -0.834 176.490 177.300 0.039 0.000 1.193 123 P CA 0.041 63.161 63.100 0.034 0.000 0.765 123 P CB 0.392 32.102 31.700 0.016 0.000 0.823 124 E N 2.501 122.725 120.200 0.041 0.000 2.369 124 E HA 0.248 4.577 4.350 -0.034 0.000 0.255 124 E C -0.421 176.197 176.600 0.030 0.000 1.172 124 E CA -0.933 55.497 56.400 0.049 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 0.537 121.059 120.500 0.037 0.000 2.640 125 R HA -0.011 4.308 4.340 -0.034 0.000 0.270 125 R C 1.400 177.720 176.300 0.033 0.000 1.024 125 R CA -0.356 55.760 56.100 0.025 0.000 1.085 125 R CB 0.238 30.570 30.300 0.054 0.000 0.963 125 R HN 0.560 nan 8.270 nan 0.000 0.426 126 I N 1.638 122.216 120.570 0.014 0.000 2.208 126 I HA -0.152 3.997 4.170 -0.034 0.000 0.245 126 I C 1.228 177.384 176.117 0.064 0.000 1.097 126 I CA 1.559 62.877 61.300 0.031 0.000 1.363 126 I CB -1.329 36.688 38.000 0.028 0.000 1.051 126 I HN 0.380 nan 8.210 nan 0.000 0.413 127 V N -3.224 116.758 119.914 0.114 0.000 3.040 127 V HA 0.521 4.621 4.120 -0.034 0.000 0.312 127 V C 0.308 176.571 176.094 0.281 0.000 1.115 127 V CA -0.842 61.567 62.300 0.181 0.000 0.998 127 V CB 1.779 33.788 31.823 0.310 0.000 1.042 127 V HN 0.461 nan 8.190 nan 0.000 0.433 128 H N 0.690 119.810 119.070 0.084 0.000 2.862 128 H HA -0.216 4.318 4.556 -0.038 0.000 0.290 128 H C 1.500 176.866 175.328 0.063 0.000 1.211 128 H CA 0.718 56.812 56.048 0.077 0.000 1.140 128 H CB -1.172 28.626 29.762 0.059 0.000 1.341 128 H HN 1.182 nan 8.280 nan 0.000 0.392 129 A N 0.775 123.678 122.820 0.139 0.000 1.972 129 A HA -0.105 4.195 4.320 -0.034 0.000 0.219 129 A C 1.699 179.366 177.584 0.138 0.000 1.169 129 A CA 1.274 53.381 52.037 0.117 0.000 0.635 129 A CB -0.063 18.985 19.000 0.081 0.000 0.810 129 A HN 0.263 nan 8.150 nan 0.000 0.446 130 R N 0.287 120.867 120.500 0.133 0.000 2.210 130 R HA 0.499 4.818 4.340 -0.034 0.000 0.338 130 R C -0.133 176.285 176.300 0.196 0.000 1.062 130 R CA 0.783 56.980 56.100 0.162 0.000 0.902 130 R CB 0.101 30.482 30.300 0.135 0.000 1.050 130 R HN 0.383 nan 8.270 nan 0.000 0.461 131 G N 0.911 109.854 108.800 0.238 0.000 2.632 131 G HA2 0.440 4.380 3.960 -0.034 0.000 0.292 131 G HA3 0.440 4.380 3.960 -0.034 0.000 0.292 131 G C -1.615 173.441 174.900 0.261 0.000 1.465 131 G CA -0.627 44.591 45.100 0.196 0.000 0.824 131 G HN 0.479 nan 8.290 nan 0.000 0.509 132 S N -0.860 114.962 115.700 0.203 0.000 2.500 132 S HA 0.889 5.338 4.470 -0.034 0.000 0.301 132 S C -0.010 174.600 174.600 0.018 0.000 1.092 132 S CA -0.138 58.221 58.200 0.265 0.000 1.030 132 S CB 1.683 65.173 63.200 0.484 0.000 1.031 132 S HN 1.507 nan 8.310 nan 0.000 0.483 133 A N 1.676 124.457 122.820 -0.065 0.000 2.469 133 A HA 1.010 5.310 4.320 -0.034 0.000 0.299 133 A C -0.870 176.502 177.584 -0.353 0.000 1.098 133 A CA -0.771 51.017 52.037 -0.416 0.000 0.737 133 A CB 1.585 20.173 19.000 -0.686 0.000 1.312 133 A HN 1.203 nan 8.150 nan 0.000 0.414 134 A N 0.594 123.066 122.820 -0.579 0.000 2.587 134 A HA 0.740 5.040 4.320 -0.034 0.000 0.293 134 A C -1.007 176.378 177.584 -0.332 0.000 1.087 134 A CA -0.646 51.205 52.037 -0.310 0.000 0.692 134 A CB 0.812 19.720 19.000 -0.154 0.000 1.291 134 A HN 0.880 nan 8.150 nan 0.000 0.407 135 H N -0.325 118.762 119.070 0.027 0.000 2.488 135 H HA 0.685 5.222 4.556 -0.033 0.000 0.347 135 H C 0.612 175.938 175.328 -0.003 0.000 1.174 135 H CA 0.810 56.937 56.048 0.131 0.000 1.307 135 H CB 1.842 31.686 29.762 0.137 0.000 1.517 135 H HN 1.113 nan 8.280 nan 0.000 0.554 136 G N 0.473 109.373 108.800 0.166 0.000 2.578 136 G HA2 0.372 4.312 3.960 -0.034 0.000 0.302 136 G HA3 0.372 4.312 3.960 -0.034 0.000 0.302 136 G C -2.017 173.025 174.900 0.237 0.000 1.243 136 G CA -0.668 44.493 45.100 0.102 0.000 0.843 136 G HN 0.636 nan 8.290 nan 0.000 0.486 137 Y N -1.935 118.402 120.300 0.062 0.000 2.597 137 Y HA 0.831 5.361 4.550 -0.034 0.000 0.340 137 Y C -1.776 174.264 175.900 0.234 0.000 1.097 137 Y CA -1.828 56.356 58.100 0.139 0.000 1.037 137 Y CB 1.953 40.472 38.460 0.099 0.000 1.305 137 Y HN 0.736 nan 8.280 nan 0.000 0.463 138 F N 1.814 121.918 119.950 0.256 0.000 2.563 138 F HA 0.718 5.226 4.527 -0.031 0.000 0.316 138 F C -1.161 174.848 175.800 0.349 0.000 1.076 138 F CA -0.614 57.550 58.000 0.272 0.000 0.921 138 F CB 2.387 41.681 39.000 0.491 0.000 1.209 138 F HN 0.757 nan 8.300 nan 0.000 0.462 139 Q N 5.772 125.061 119.800 -0.852 0.000 2.320 139 Q HA 0.406 4.726 4.340 -0.034 0.000 0.272 139 Q C -2.771 172.638 176.000 -0.985 0.000 1.023 139 Q CA -2.305 53.161 55.803 -0.563 0.000 0.855 139 Q CB 3.188 31.862 28.738 -0.106 0.000 1.367 139 Q HN 0.307 nan 8.270 nan 0.000 0.406 140 P HA 0.061 nan 4.420 nan 0.000 0.276 140 P C -0.507 176.731 177.300 -0.103 0.000 1.244 140 P CA 0.143 63.058 63.100 -0.308 0.000 0.801 140 P CB 0.526 32.193 31.700 -0.056 0.000 1.006 141 Y N 0.441 120.684 120.300 -0.095 0.000 2.475 141 Y HA -0.009 4.522 4.550 -0.033 0.000 0.289 141 Y C 1.394 177.270 175.900 -0.041 0.000 1.121 141 Y CA 0.141 58.206 58.100 -0.058 0.000 1.257 141 Y CB 0.391 38.822 38.460 -0.048 0.000 1.026 141 Y HN 0.377 nan 8.280 nan 0.000 0.555 142 K N -1.130 119.337 120.400 0.110 0.000 2.658 142 K HA 0.286 4.585 4.320 -0.034 0.000 0.293 142 K C -1.135 175.476 176.600 0.019 0.000 1.026 142 K CA -0.891 55.429 56.287 0.055 0.000 0.871 142 K CB 1.249 33.779 32.500 0.050 0.000 1.524 142 K HN -0.230 nan 8.250 nan 0.000 0.400 143 S N 0.791 116.497 115.700 0.011 0.000 2.531 143 S HA 0.235 4.684 4.470 -0.034 0.000 0.279 143 S C 0.283 174.875 174.600 -0.013 0.000 1.305 143 S CA -0.693 57.504 58.200 -0.005 0.000 1.058 143 S CB -0.123 63.076 63.200 -0.001 0.000 0.899 143 S HN 0.533 nan 8.310 nan 0.000 0.493 144 L N 4.735 125.940 121.223 -0.030 0.000 2.928 144 L HA 0.168 4.488 4.340 -0.034 0.000 0.246 144 L C 1.935 178.788 176.870 -0.028 0.000 1.239 144 L CA -0.126 54.702 54.840 -0.021 0.000 1.035 144 L CB -0.066 41.986 42.059 -0.013 0.000 1.360 144 L HN 0.863 nan 8.230 nan 0.000 0.529 145 S N -2.076 113.606 115.700 -0.031 0.000 2.469 145 S HA -0.163 4.286 4.470 -0.034 0.000 0.238 145 S C 1.240 175.820 174.600 -0.032 0.000 0.998 145 S CA 0.947 59.127 58.200 -0.035 0.000 0.957 145 S CB -0.153 63.031 63.200 -0.027 0.000 0.764 145 S HN 0.388 nan 8.310 nan 0.000 0.514 146 D N 1.984 122.370 120.400 -0.023 0.000 2.224 146 D HA 0.056 4.675 4.640 -0.034 0.000 0.205 146 D C 1.763 178.043 176.300 -0.034 0.000 0.965 146 D CA 1.251 55.237 54.000 -0.023 0.000 0.852 146 D CB -0.117 40.675 40.800 -0.013 0.000 0.947 146 D HN 0.789 nan 8.370 nan 0.000 0.494 147 I N -4.163 116.387 120.570 -0.034 0.000 4.312 147 I HA 0.225 4.375 4.170 -0.034 0.000 0.324 147 I C 0.523 176.591 176.117 -0.081 0.000 1.298 147 I CA -0.050 61.219 61.300 -0.051 0.000 1.231 147 I CB 1.093 39.083 38.000 -0.017 0.000 1.152 147 I HN -0.257 nan 8.210 nan 0.000 0.421 148 T N 1.614 116.123 114.554 -0.074 0.000 2.982 148 T HA 0.317 4.646 4.350 -0.034 0.000 0.321 148 T C -0.123 174.518 174.700 -0.097 0.000 1.229 148 T CA -0.713 61.324 62.100 -0.106 0.000 1.044 148 T CB 1.805 70.597 68.868 -0.128 0.000 1.184 148 T HN 0.414 nan 8.240 nan 0.000 0.477 149 K N 2.434 122.776 120.400 -0.098 0.000 2.417 149 K HA 0.566 4.865 4.320 -0.034 0.000 0.196 149 K C 0.742 177.299 176.600 -0.072 0.000 1.023 149 K CA -0.322 55.920 56.287 -0.075 0.000 1.122 149 K CB 0.214 32.675 32.500 -0.065 0.000 0.850 149 K HN 0.511 nan 8.250 nan 0.000 0.521 150 A N 2.236 124.989 122.820 -0.110 0.000 2.545 150 A HA -0.079 4.220 4.320 -0.034 0.000 0.253 150 A C 0.600 178.140 177.584 -0.074 0.000 1.074 150 A CA 0.231 52.210 52.037 -0.096 0.000 0.760 150 A CB 0.002 18.877 19.000 -0.209 0.000 1.005 150 A HN 0.508 nan 8.150 nan 0.000 0.506 151 D N 2.164 122.597 120.400 0.055 0.000 2.178 151 D HA -0.206 4.414 4.640 -0.034 0.000 0.202 151 D C 1.331 177.703 176.300 0.120 0.000 0.974 151 D CA 2.042 56.089 54.000 0.078 0.000 0.841 151 D CB -0.235 40.630 40.800 0.109 0.000 0.953 151 D HN 0.732 nan 8.370 nan 0.000 0.478 152 F N -0.653 119.319 119.950 0.037 0.000 2.546 152 F HA 0.147 4.654 4.527 -0.033 0.000 0.298 152 F C 1.219 177.103 175.800 0.139 0.000 1.120 152 F CA 0.381 58.443 58.000 0.103 0.000 1.456 152 F CB -0.249 38.813 39.000 0.103 0.000 1.088 152 F HN -0.053 nan 8.300 nan 0.000 0.572 153 L N 0.750 121.642 121.223 -0.552 0.000 2.640 153 L HA 0.124 4.444 4.340 -0.034 0.000 0.230 153 L C 2.189 178.968 176.870 -0.152 0.000 1.123 153 L CA 0.468 55.057 54.840 -0.417 0.000 0.900 153 L CB -0.229 41.457 42.059 -0.622 0.000 1.146 153 L HN 0.360 nan 8.230 nan 0.000 0.484 154 S N -2.063 113.590 115.700 -0.078 0.000 2.496 154 S HA -0.011 4.439 4.470 -0.034 0.000 0.224 154 S C 0.410 175.009 174.600 -0.001 0.000 0.996 154 S CA 0.080 58.261 58.200 -0.032 0.000 0.927 154 S CB 0.055 63.250 63.200 -0.008 0.000 0.774 154 S HN 0.392 nan 8.310 nan 0.000 0.524 155 D N 0.164 120.574 120.400 0.018 0.000 2.886 155 D HA 0.346 4.966 4.640 -0.034 0.000 0.216 155 D C -2.674 173.648 176.300 0.038 0.000 1.256 155 D CA -1.793 52.224 54.000 0.029 0.000 0.844 155 D CB 1.956 42.780 40.800 0.039 0.000 1.669 155 D HN -0.189 nan 8.370 nan 0.000 0.513 156 P HA 0.005 nan 4.420 nan 0.000 0.223 156 P C 0.328 177.656 177.300 0.047 0.000 1.151 156 P CA 0.872 63.996 63.100 0.040 0.000 0.787 156 P CB 0.191 31.923 31.700 0.053 0.000 0.788 157 N N -0.815 117.914 118.700 0.048 0.000 2.398 157 N HA 0.004 4.724 4.740 -0.034 0.000 0.188 157 N C 0.652 176.202 175.510 0.068 0.000 1.122 157 N CA -0.083 52.998 53.050 0.051 0.000 0.866 157 N CB -0.055 38.455 38.487 0.040 0.000 0.970 157 N HN 0.079 nan 8.380 nan 0.000 0.462 158 K N 1.880 122.332 120.400 0.086 0.000 2.310 158 K HA 0.230 4.530 4.320 -0.034 0.000 0.290 158 K C -0.818 175.886 176.600 0.173 0.000 1.077 158 K CA -0.103 56.259 56.287 0.126 0.000 0.922 158 K CB 0.367 32.953 32.500 0.142 0.000 1.057 158 K HN 0.038 nan 8.250 nan 0.000 0.479 159 I N 3.550 124.222 120.570 0.169 0.000 2.342 159 I HA 0.132 4.282 4.170 -0.034 0.000 0.291 159 I C -0.053 176.242 176.117 0.297 0.000 1.010 159 I CA -0.344 61.090 61.300 0.223 0.000 1.308 159 I CB 1.848 39.928 38.000 0.133 0.000 1.400 159 I HN 0.500 nan 8.210 nan 0.000 0.488 160 T N 7.308 122.125 114.554 0.439 0.000 2.786 160 T HA 0.363 4.693 4.350 -0.034 0.000 0.283 160 T C -2.503 172.457 174.700 0.433 0.000 0.992 160 T CA -1.443 60.929 62.100 0.454 0.000 0.954 160 T CB 1.543 70.774 68.868 0.605 0.000 0.934 160 T HN 0.238 nan 8.240 nan 0.000 0.440 161 P HA 0.269 nan 4.420 nan 0.000 0.268 161 P C -0.666 176.883 177.300 0.415 0.000 1.205 161 P CA -0.409 62.889 63.100 0.330 0.000 0.771 161 P CB 0.515 32.328 31.700 0.188 0.000 0.858 162 V N 0.114 120.214 119.914 0.310 0.000 3.040 162 V HA 0.756 4.855 4.120 -0.034 0.000 0.312 162 V C -1.337 174.923 176.094 0.277 0.000 1.115 162 V CA -0.969 61.406 62.300 0.126 0.000 0.998 162 V CB 2.316 34.000 31.823 -0.231 0.000 1.042 162 V HN 0.334 nan 8.190 nan 0.000 0.433 163 F N 2.151 122.079 119.950 -0.037 0.000 2.617 163 F HA 0.815 5.319 4.527 -0.038 0.000 0.325 163 F C -0.998 174.708 175.800 -0.157 0.000 1.179 163 F CA -0.673 57.262 58.000 -0.107 0.000 0.965 163 F CB 1.825 40.786 39.000 -0.064 0.000 1.232 163 F HN 0.526 nan 8.300 nan 0.000 0.461 164 V N 6.504 125.962 119.914 -0.761 0.000 2.555 164 V HA 0.596 4.695 4.120 -0.034 0.000 0.302 164 V C -0.613 174.824 176.094 -1.096 0.000 1.038 164 V CA -0.840 60.950 62.300 -0.851 0.000 0.887 164 V CB 1.991 33.260 31.823 -0.923 0.000 0.991 164 V HN 0.723 nan 8.190 nan 0.000 0.434 165 R N 3.433 123.279 120.500 -1.090 0.000 2.480 165 R HA 0.623 4.943 4.340 -0.034 0.000 0.306 165 R C -1.698 173.976 176.300 -1.044 0.000 0.958 165 R CA -0.424 55.124 56.100 -0.919 0.000 0.861 165 R CB 1.206 31.181 30.300 -0.542 0.000 1.171 165 R HN 0.544 nan 8.270 nan 0.000 0.445 166 F N 1.821 121.368 119.950 -0.672 0.000 2.432 166 F HA 0.555 5.063 4.527 -0.033 0.000 0.329 166 F C 0.475 175.939 175.800 -0.561 0.000 1.076 166 F CA -0.196 57.288 58.000 -0.860 0.000 1.018 166 F CB 2.182 40.134 39.000 -1.748 0.000 1.201 166 F HN 0.654 nan 8.300 nan 0.000 0.489 167 S N -1.228 114.403 115.700 -0.114 0.000 2.672 167 S HA 0.663 5.112 4.470 -0.034 0.000 0.271 167 S C -0.673 174.045 174.600 0.196 0.000 1.171 167 S CA -0.889 57.373 58.200 0.105 0.000 0.817 167 S CB 1.404 64.719 63.200 0.191 0.000 1.150 167 S HN 0.724 nan 8.310 nan 0.000 0.478 168 T N -1.891 112.766 114.554 0.172 0.000 2.880 168 T HA 0.726 5.055 4.350 -0.034 0.000 0.279 168 T C 0.755 175.378 174.700 -0.127 0.000 0.990 168 T CA -0.312 61.846 62.100 0.097 0.000 0.938 168 T CB 0.684 69.625 68.868 0.121 0.000 1.206 168 T HN 0.520 nan 8.240 nan 0.000 0.573 169 V N 0.072 119.888 119.914 -0.164 0.000 2.721 169 V HA 0.074 4.174 4.120 -0.034 0.000 0.236 169 V C 2.808 178.816 176.094 -0.144 0.000 1.116 169 V CA 0.477 62.569 62.300 -0.345 0.000 1.148 169 V CB -0.439 31.289 31.823 -0.158 0.000 0.886 169 V HN 0.874 nan 8.190 nan 0.000 0.490 170 Q N 1.112 120.862 119.800 -0.083 0.000 2.020 170 Q HA 0.030 4.349 4.340 -0.034 0.000 0.198 170 Q C 1.341 177.312 176.000 -0.049 0.000 0.974 170 Q CA 1.457 57.213 55.803 -0.078 0.000 0.829 170 Q CB -0.598 28.079 28.738 -0.102 0.000 0.894 170 Q HN 0.579 nan 8.270 nan 0.000 0.433 171 G N -0.007 108.776 108.800 -0.029 0.000 2.614 171 G HA2 0.317 4.256 3.960 -0.034 0.000 0.239 171 G HA3 0.317 4.256 3.960 -0.034 0.000 0.239 171 G C 0.232 175.134 174.900 0.003 0.000 1.240 171 G CA 0.115 45.206 45.100 -0.015 0.000 0.842 171 G HN 0.363 nan 8.290 nan 0.000 0.584 172 G N -0.938 107.860 108.800 -0.002 0.000 2.684 172 G HA2 0.473 4.412 3.960 -0.034 0.000 0.255 172 G HA3 0.473 4.412 3.960 -0.034 0.000 0.255 172 G C 1.313 176.236 174.900 0.039 0.000 1.219 172 G CA 0.423 45.531 45.100 0.012 0.000 0.901 172 G HN 1.107 nan 8.290 nan 0.000 0.548 173 A N -0.678 122.174 122.820 0.054 0.000 2.067 173 A HA 0.157 4.457 4.320 -0.034 0.000 0.219 173 A C 2.279 179.896 177.584 0.055 0.000 1.158 173 A CA 1.923 54.011 52.037 0.085 0.000 0.661 173 A CB -0.332 18.732 19.000 0.108 0.000 0.801 173 A HN 1.055 nan 8.150 nan 0.000 0.452 174 G N -0.245 108.569 108.800 0.024 0.000 3.088 174 G HA2 0.288 4.227 3.960 -0.034 0.000 0.217 174 G HA3 0.288 4.227 3.960 -0.034 0.000 0.217 174 G C 0.852 175.751 174.900 -0.002 0.000 1.159 174 G CA 0.695 45.795 45.100 0.000 0.000 0.760 174 G HN 0.666 nan 8.290 nan 0.000 0.550 175 S N -0.030 115.676 115.700 0.010 0.000 2.641 175 S HA 0.694 5.143 4.470 -0.034 0.000 0.261 175 S C 0.452 175.064 174.600 0.019 0.000 1.257 175 S CA -0.017 58.186 58.200 0.005 0.000 0.983 175 S CB 1.408 64.611 63.200 0.005 0.000 0.990 175 S HN 0.571 nan 8.310 nan 0.000 0.572 176 A N 0.082 122.909 122.820 0.012 0.000 2.302 176 A HA 0.462 4.762 4.320 -0.034 0.000 0.285 176 A C 0.587 178.191 177.584 0.033 0.000 1.105 176 A CA -0.646 51.396 52.037 0.009 0.000 0.816 176 A CB 0.052 19.040 19.000 -0.020 0.000 1.067 176 A HN 0.851 nan 8.150 nan 0.000 0.489 177 D N 0.556 120.967 120.400 0.020 0.000 2.137 177 D HA -0.069 4.551 4.640 -0.034 0.000 0.202 177 D C 1.606 177.880 176.300 -0.043 0.000 0.970 177 D CA 2.232 56.256 54.000 0.040 0.000 0.837 177 D CB -0.228 40.572 40.800 -0.001 0.000 0.981 177 D HN 0.677 nan 8.370 nan 0.000 0.475 178 T N -0.163 114.290 114.554 -0.170 0.000 3.332 178 T HA 0.272 4.602 4.350 -0.034 0.000 0.246 178 T C 0.880 175.566 174.700 -0.023 0.000 0.943 178 T CA -0.553 61.440 62.100 -0.179 0.000 0.922 178 T CB -0.977 67.699 68.868 -0.320 0.000 1.086 178 T HN -0.082 nan 8.240 nan 0.000 0.590 179 V N -1.163 118.786 119.914 0.059 0.000 3.376 179 V HA 0.372 4.472 4.120 -0.034 0.000 0.303 179 V C 0.782 177.012 176.094 0.226 0.000 1.100 179 V CA -1.359 61.026 62.300 0.143 0.000 1.126 179 V CB 0.190 32.081 31.823 0.114 0.000 1.085 179 V HN 0.566 nan 8.190 nan 0.000 0.480 180 R N 1.567 122.247 120.500 0.300 0.000 2.248 180 R HA 0.547 4.867 4.340 -0.034 0.000 0.328 180 R C -0.213 176.166 176.300 0.131 0.000 1.067 180 R CA 0.620 56.852 56.100 0.219 0.000 0.924 180 R CB 0.309 30.658 30.300 0.082 0.000 1.013 180 R HN 1.143 nan 8.270 nan 0.000 0.454 181 S N 4.586 120.377 115.700 0.152 0.000 2.595 181 S HA 0.324 4.773 4.470 -0.034 0.000 0.270 181 S C -0.821 173.889 174.600 0.183 0.000 1.145 181 S CA -0.971 57.310 58.200 0.134 0.000 0.825 181 S CB 0.733 64.002 63.200 0.116 0.000 1.107 181 S HN 0.404 nan 8.310 nan 0.000 0.461 182 I N 2.832 123.526 120.570 0.206 0.000 2.938 182 I HA 0.385 4.535 4.170 -0.034 0.000 0.285 182 I C 0.695 176.944 176.117 0.219 0.000 1.182 182 I CA 0.026 61.457 61.300 0.218 0.000 1.388 182 I CB 0.292 38.447 38.000 0.259 0.000 1.390 182 I HN 0.606 nan 8.210 nan 0.000 0.600 183 R N 2.820 123.468 120.500 0.246 0.000 2.589 183 R HA 0.521 4.841 4.340 -0.034 0.000 0.293 183 R C -0.076 176.401 176.300 0.296 0.000 0.963 183 R CA -0.745 55.511 56.100 0.259 0.000 0.905 183 R CB 1.463 31.933 30.300 0.284 0.000 1.144 183 R HN 0.793 nan 8.270 nan 0.000 0.459 184 G N 1.035 110.033 108.800 0.331 0.000 2.444 184 G HA2 0.411 4.351 3.960 -0.034 0.000 0.268 184 G HA3 0.411 4.351 3.960 -0.034 0.000 0.268 184 G C -1.173 173.818 174.900 0.151 0.000 1.203 184 G CA -0.035 45.257 45.100 0.321 0.000 0.835 184 G HN 0.373 nan 8.290 nan 0.000 0.543 185 F N 1.965 121.842 119.950 -0.121 0.000 2.949 185 F HA 0.618 5.123 4.527 -0.037 0.000 0.376 185 F C -0.127 175.410 175.800 -0.439 0.000 1.205 185 F CA -1.761 56.081 58.000 -0.264 0.000 1.155 185 F CB 0.985 39.933 39.000 -0.086 0.000 1.495 185 F HN 0.655 nan 8.300 nan 0.000 0.551 186 A N 3.211 125.778 122.820 -0.421 0.000 2.288 186 A HA 0.770 5.069 4.320 -0.034 0.000 0.320 186 A C -0.542 176.600 177.584 -0.736 0.000 1.217 186 A CA -0.420 51.204 52.037 -0.689 0.000 0.840 186 A CB 0.695 18.911 19.000 -1.307 0.000 1.179 186 A HN 0.515 nan 8.150 nan 0.000 0.504 187 T N 2.454 116.745 114.554 -0.439 0.000 2.786 187 T HA 0.387 4.717 4.350 -0.034 0.000 0.283 187 T C -0.315 174.196 174.700 -0.315 0.000 0.992 187 T CA -0.481 61.369 62.100 -0.417 0.000 0.954 187 T CB 1.018 69.592 68.868 -0.491 0.000 0.934 187 T HN 0.625 nan 8.240 nan 0.000 0.440 188 K N 3.696 123.983 120.400 -0.189 0.000 2.281 188 K HA 0.413 4.713 4.320 -0.034 0.000 0.272 188 K C -1.199 175.048 176.600 -0.588 0.000 1.048 188 K CA -0.617 55.466 56.287 -0.340 0.000 0.898 188 K CB 0.320 32.562 32.500 -0.430 0.000 1.128 188 K HN 0.398 nan 8.250 nan 0.000 0.460 189 F N 4.103 123.752 119.950 -0.503 0.000 2.424 189 F HA 0.202 4.707 4.527 -0.037 0.000 0.356 189 F C -0.265 175.316 175.800 -0.366 0.000 1.110 189 F CA -0.461 57.306 58.000 -0.388 0.000 1.161 189 F CB 0.562 39.251 39.000 -0.519 0.000 1.115 189 F HN 0.437 nan 8.300 nan 0.000 0.507 190 Y N 1.915 122.269 120.300 0.089 0.000 2.714 190 Y HA 0.223 4.754 4.550 -0.032 0.000 0.333 190 Y C 0.986 176.939 175.900 0.089 0.000 1.220 190 Y CA -0.876 57.260 58.100 0.059 0.000 1.513 190 Y CB -0.182 38.305 38.460 0.045 0.000 1.435 190 Y HN 0.560 nan 8.280 nan 0.000 0.489 191 T N -2.421 112.230 114.554 0.162 0.000 2.824 191 T HA 0.192 4.521 4.350 -0.034 0.000 0.277 191 T C 0.976 175.770 174.700 0.156 0.000 0.975 191 T CA -0.653 61.548 62.100 0.167 0.000 0.966 191 T CB 1.072 70.017 68.868 0.128 0.000 1.054 191 T HN 0.630 nan 8.240 nan 0.000 0.533 192 E N -0.127 120.168 120.200 0.158 0.000 2.427 192 E HA 0.003 4.333 4.350 -0.034 0.000 0.196 192 E C 0.850 177.517 176.600 0.111 0.000 1.028 192 E CA 0.560 57.036 56.400 0.127 0.000 0.864 192 E CB 0.159 29.930 29.700 0.119 0.000 0.813 192 E HN 0.727 nan 8.360 nan 0.000 0.514 193 E N 0.326 120.595 120.200 0.116 0.000 2.789 193 E HA 0.290 4.619 4.350 -0.034 0.000 0.208 193 E C 0.006 176.657 176.600 0.085 0.000 0.988 193 E CA -0.319 56.142 56.400 0.101 0.000 1.092 193 E CB 1.344 31.105 29.700 0.102 0.000 1.066 193 E HN 0.172 nan 8.360 nan 0.000 0.465 194 G N 1.140 109.984 108.800 0.073 0.000 2.406 194 G HA2 -0.103 3.836 3.960 -0.034 0.000 0.680 194 G HA3 -0.103 3.836 3.960 -0.034 0.000 0.680 194 G C -0.871 174.037 174.900 0.014 0.000 1.338 194 G CA -1.140 43.979 45.100 0.032 0.000 0.941 194 G HN 0.030 nan 8.290 nan 0.000 0.633 195 I N 0.686 121.224 120.570 -0.053 0.000 2.588 195 I HA 0.435 4.584 4.170 -0.034 0.000 0.283 195 I C 0.132 176.241 176.117 -0.015 0.000 1.119 195 I CA -0.027 61.210 61.300 -0.105 0.000 1.419 195 I CB 0.886 38.744 38.000 -0.237 0.000 1.394 195 I HN 0.497 nan 8.210 nan 0.000 0.562 196 F N 6.346 126.186 119.950 -0.183 0.000 2.460 196 F HA 0.455 4.961 4.527 -0.035 0.000 0.341 196 F C -0.736 175.026 175.800 -0.062 0.000 1.130 196 F CA -1.226 56.668 58.000 -0.177 0.000 0.962 196 F CB 0.833 39.595 39.000 -0.397 0.000 1.171 196 F HN 0.335 nan 8.300 nan 0.000 0.436 197 D N 6.485 126.653 120.400 -0.387 0.000 2.280 197 D HA 0.274 4.893 4.640 -0.034 0.000 0.236 197 D C -0.996 174.862 176.300 -0.737 0.000 1.082 197 D CA -0.091 53.666 54.000 -0.406 0.000 0.834 197 D CB 2.160 42.934 40.800 -0.043 0.000 1.100 197 D HN 0.531 nan 8.370 nan 0.000 0.486 198 L N 3.893 124.674 121.223 -0.736 0.000 2.283 198 L HA 0.293 4.613 4.340 -0.034 0.000 0.281 198 L C -1.153 175.536 176.870 -0.302 0.000 1.033 198 L CA -0.677 53.810 54.840 -0.588 0.000 0.848 198 L CB 1.151 42.876 42.059 -0.557 0.000 1.226 198 L HN 0.068 nan 8.230 nan 0.000 0.429 199 V N 6.054 125.833 119.914 -0.226 0.000 2.270 199 V HA 0.736 4.835 4.120 -0.034 0.000 0.263 199 V C 0.863 176.892 176.094 -0.108 0.000 1.066 199 V CA 0.028 62.205 62.300 -0.204 0.000 0.857 199 V CB 0.098 31.780 31.823 -0.235 0.000 1.099 199 V HN 0.873 nan 8.190 nan 0.000 0.476 200 G N 3.408 112.154 108.800 -0.089 0.000 3.016 200 G HA2 0.653 4.593 3.960 -0.034 0.000 0.270 200 G HA3 0.653 4.593 3.960 -0.034 0.000 0.270 200 G C -0.843 174.090 174.900 0.055 0.000 1.352 200 G CA -0.621 44.470 45.100 -0.015 0.000 1.060 200 G HN 0.485 nan 8.290 nan 0.000 0.538 201 N N -0.957 117.816 118.700 0.121 0.000 2.966 201 N HA 0.246 4.965 4.740 -0.034 0.000 0.314 201 N C 0.407 176.094 175.510 0.294 0.000 1.397 201 N CA -0.735 52.444 53.050 0.216 0.000 0.776 201 N CB 1.190 39.795 38.487 0.196 0.000 1.576 201 N HN 0.532 nan 8.380 nan 0.000 0.592 202 N N -1.252 117.639 118.700 0.319 0.000 2.268 202 N HA -0.002 4.717 4.740 -0.034 0.000 0.204 202 N C -0.610 175.157 175.510 0.428 0.000 1.124 202 N CA -0.078 53.212 53.050 0.399 0.000 0.838 202 N CB -0.172 38.525 38.487 0.351 0.000 0.994 202 N HN 0.530 nan 8.380 nan 0.000 0.489 203 T N -3.486 111.138 114.554 0.117 0.000 2.900 203 T HA 0.437 4.767 4.350 -0.034 0.000 0.295 203 T C -2.632 171.443 174.700 -1.042 0.000 1.044 203 T CA -1.626 60.118 62.100 -0.593 0.000 0.995 203 T CB 2.897 71.309 68.868 -0.760 0.000 1.072 203 T HN -0.273 nan 8.240 nan 0.000 0.473 204 P HA 0.165 nan 4.420 nan 0.000 0.242 204 P C 0.410 177.177 177.300 -0.889 0.000 1.197 204 P CA 0.208 62.367 63.100 -1.568 0.000 0.765 204 P CB -0.188 30.588 31.700 -1.540 0.000 0.936 205 I N -5.201 114.849 120.570 -0.866 0.000 3.191 205 I HA 0.510 4.659 4.170 -0.034 0.000 0.313 205 I C -1.140 174.707 176.117 -0.451 0.000 1.193 205 I CA -1.890 59.051 61.300 -0.597 0.000 0.968 205 I CB 1.368 38.969 38.000 -0.664 0.000 1.262 205 I HN -0.253 nan 8.210 nan 0.000 0.456 206 F N 0.699 120.370 119.950 -0.466 0.000 2.525 206 F HA 0.503 5.013 4.527 -0.028 0.000 0.346 206 F C 0.505 176.050 175.800 -0.425 0.000 1.072 206 F CA -0.682 57.072 58.000 -0.409 0.000 1.033 206 F CB 1.698 40.579 39.000 -0.198 0.000 1.324 206 F HN 0.379 nan 8.300 nan 0.000 0.491 207 F N 1.858 121.082 119.950 -1.210 0.000 2.367 207 F HA 0.095 4.600 4.527 -0.038 0.000 0.298 207 F C 0.503 176.001 175.800 -0.503 0.000 1.094 207 F CA 0.597 58.050 58.000 -0.912 0.000 1.409 207 F CB -0.067 38.025 39.000 -1.513 0.000 1.064 207 F HN 0.108 nan 8.300 nan 0.000 0.528 208 I N -3.632 116.882 120.570 -0.093 0.000 2.934 208 I HA 0.368 4.517 4.170 -0.034 0.000 0.306 208 I C 0.302 176.547 176.117 0.214 0.000 1.110 208 I CA -0.856 60.508 61.300 0.106 0.000 1.019 208 I CB 1.905 40.014 38.000 0.182 0.000 1.227 208 I HN -0.181 nan 8.210 nan 0.000 0.434 209 Q N 0.464 120.395 119.800 0.219 0.000 2.226 209 Q HA 0.111 4.431 4.340 -0.034 0.000 0.199 209 Q C -0.248 175.921 176.000 0.283 0.000 0.945 209 Q CA 0.759 56.734 55.803 0.287 0.000 0.861 209 Q CB 0.367 29.342 28.738 0.396 0.000 0.953 209 Q HN 0.669 nan 8.270 nan 0.000 0.490 210 D N -1.125 119.417 120.400 0.236 0.000 2.498 210 D HA 0.317 4.937 4.640 -0.034 0.000 0.247 210 D C 0.059 176.485 176.300 0.211 0.000 1.070 210 D CA -0.237 53.876 54.000 0.189 0.000 0.842 210 D CB 1.802 42.687 40.800 0.141 0.000 1.361 210 D HN 0.042 nan 8.370 nan 0.000 0.484 211 A N 3.387 126.303 122.820 0.160 0.000 2.032 211 A HA -0.250 4.049 4.320 -0.034 0.000 0.221 211 A C 1.820 179.516 177.584 0.187 0.000 1.165 211 A CA 1.809 53.931 52.037 0.141 0.000 0.645 211 A CB -0.840 18.189 19.000 0.049 0.000 0.807 211 A HN 0.825 nan 8.150 nan 0.000 0.453 212 H N 0.015 119.143 119.070 0.096 0.000 2.426 212 H HA -0.060 4.480 4.556 -0.026 0.000 0.298 212 H C 1.314 176.719 175.328 0.129 0.000 1.107 212 H CA 1.839 57.938 56.048 0.085 0.000 1.298 212 H CB 0.184 29.975 29.762 0.048 0.000 1.377 212 H HN 0.241 nan 8.280 nan 0.000 0.519 213 K N -0.272 120.255 120.400 0.212 0.000 2.444 213 K HA -0.042 4.258 4.320 -0.034 0.000 0.193 213 K C 1.538 178.279 176.600 0.234 0.000 1.024 213 K CA 0.038 56.452 56.287 0.212 0.000 1.077 213 K CB -0.342 32.335 32.500 0.296 0.000 0.833 213 K HN 0.335 nan 8.250 nan 0.000 0.517 214 F N 2.920 122.920 119.950 0.083 0.000 2.095 214 F HA -0.134 4.358 4.527 -0.058 0.000 0.298 214 F C -0.904 174.906 175.800 0.018 0.000 1.104 214 F CA 1.416 59.487 58.000 0.118 0.000 1.232 214 F CB -0.560 38.506 39.000 0.110 0.000 0.987 214 F HN 0.055 nan 8.300 nan 0.000 0.475 215 P HA -0.154 nan 4.420 nan 0.000 0.215 215 P C 1.064 178.053 177.300 -0.519 0.000 1.153 215 P CA 1.845 64.714 63.100 -0.385 0.000 0.853 215 P CB -0.081 31.417 31.700 -0.337 0.000 0.788 216 D N -1.213 119.036 120.400 -0.251 0.000 2.084 216 D HA -0.167 4.453 4.640 -0.034 0.000 0.194 216 D C 1.857 177.928 176.300 -0.382 0.000 0.990 216 D CA 1.045 54.956 54.000 -0.148 0.000 0.826 216 D CB -0.937 39.944 40.800 0.135 0.000 0.971 216 D HN 0.141 nan 8.370 nan 0.000 0.453 217 F N 1.830 121.403 119.950 -0.629 0.000 2.065 217 F HA -0.269 4.231 4.527 -0.044 0.000 0.298 217 F C 2.321 177.722 175.800 -0.665 0.000 1.112 217 F CA 1.345 58.744 58.000 -1.002 0.000 1.212 217 F CB -0.198 38.435 39.000 -0.612 0.000 0.975 217 F HN -0.233 nan 8.300 nan 0.000 0.476 218 V N 0.105 119.594 119.914 -0.709 0.000 2.358 218 V HA -0.331 3.769 4.120 -0.034 0.000 0.246 218 V C 2.212 178.079 176.094 -0.378 0.000 1.047 218 V CA 2.431 64.347 62.300 -0.639 0.000 1.035 218 V CB -1.056 30.416 31.823 -0.584 0.000 0.658 218 V HN 0.477 nan 8.190 nan 0.000 0.452 219 H N -0.251 118.604 119.070 -0.359 0.000 2.421 219 H HA -0.105 4.432 4.556 -0.031 0.000 0.298 219 H C 2.310 177.491 175.328 -0.244 0.000 1.087 219 H CA 0.956 56.869 56.048 -0.225 0.000 1.330 219 H CB 0.042 29.725 29.762 -0.131 0.000 1.388 219 H HN 0.486 nan 8.280 nan 0.000 0.526 220 A N 0.398 123.046 122.820 -0.287 0.000 1.930 220 A HA -0.106 4.194 4.320 -0.034 0.000 0.217 220 A C 2.479 179.903 177.584 -0.266 0.000 1.175 220 A CA 1.318 53.182 52.037 -0.289 0.000 0.627 220 A CB -0.621 18.089 19.000 -0.483 0.000 0.815 220 A HN 0.305 nan 8.150 nan 0.000 0.443 221 V N -0.206 119.431 119.914 -0.462 0.000 2.649 221 V HA 0.002 4.102 4.120 -0.034 0.000 0.248 221 V C 0.960 177.020 176.094 -0.057 0.000 1.054 221 V CA 0.770 62.867 62.300 -0.338 0.000 1.073 221 V CB -0.421 31.002 31.823 -0.667 0.000 0.699 221 V HN 0.356 nan 8.190 nan 0.000 0.463 222 K N 1.012 121.348 120.400 -0.107 0.000 2.187 222 K HA 0.192 4.492 4.320 -0.034 0.000 0.247 222 K C -2.278 174.293 176.600 -0.048 0.000 1.019 222 K CA -1.468 54.776 56.287 -0.071 0.000 0.893 222 K CB -0.469 31.983 32.500 -0.080 0.000 1.025 222 K HN 0.170 nan 8.250 nan 0.000 0.500 223 P HA -0.019 nan 4.420 nan 0.000 0.265 223 P C -0.679 176.579 177.300 -0.071 0.000 1.193 223 P CA 0.418 63.399 63.100 -0.198 0.000 0.765 223 P CB 0.307 31.894 31.700 -0.188 0.000 0.823 224 E N 5.722 125.927 120.200 0.009 0.000 2.384 224 E HA -0.014 4.315 4.350 -0.034 0.000 0.266 224 E C -1.225 175.467 176.600 0.154 0.000 1.012 224 E CA -1.271 55.241 56.400 0.187 0.000 0.901 224 E CB 0.119 30.052 29.700 0.388 0.000 0.967 224 E HN 0.423 nan 8.360 nan 0.000 0.435 225 P HA -0.223 nan 4.420 nan 0.000 0.220 225 P C 1.006 178.382 177.300 0.127 0.000 1.148 225 P CA 1.429 64.575 63.100 0.077 0.000 0.803 225 P CB 0.005 31.720 31.700 0.025 0.000 0.782 226 H N -0.847 118.264 119.070 0.069 0.000 2.299 226 H HA -0.088 4.447 4.556 -0.035 0.000 0.302 226 H C 1.502 176.937 175.328 0.178 0.000 1.078 226 H CA 1.543 57.621 56.048 0.050 0.000 1.323 226 H CB -1.391 28.331 29.762 -0.067 0.000 1.381 226 H HN 0.311 nan 8.280 nan 0.000 0.498 227 W N 0.097 121.059 121.300 -0.563 0.000 2.870 227 W HA 0.694 5.332 4.660 -0.037 0.000 0.358 227 W C 0.372 176.730 176.519 -0.268 0.000 1.043 227 W CA -1.126 55.996 57.345 -0.373 0.000 1.692 227 W CB -0.743 28.445 29.460 -0.454 0.000 1.100 227 W HN 0.451 nan 8.180 nan 0.000 0.557 228 A N 1.524 124.315 122.820 -0.048 0.000 2.519 228 A HA -0.128 4.172 4.320 -0.034 0.000 0.297 228 A C -0.432 176.917 177.584 -0.391 0.000 1.472 228 A CA 1.465 53.399 52.037 -0.171 0.000 0.739 228 A CB -2.370 16.558 19.000 -0.121 0.000 1.096 228 A HN 0.473 nan 8.150 nan 0.000 0.414 229 I N 0.668 120.867 120.570 -0.619 0.000 2.769 229 I HA 0.529 4.679 4.170 -0.034 0.000 0.298 229 I C -2.489 173.335 176.117 -0.490 0.000 1.128 229 I CA -2.396 58.444 61.300 -0.768 0.000 1.031 229 I CB 2.955 40.015 38.000 -1.567 0.000 1.235 229 I HN 0.216 nan 8.210 nan 0.000 0.423 230 P HA 0.271 nan 4.420 nan 0.000 0.290 230 P C -1.461 175.669 177.300 -0.282 0.000 1.283 230 P CA -0.789 62.090 63.100 -0.367 0.000 0.869 230 P CB 1.378 32.941 31.700 -0.230 0.000 1.100 231 Q N 1.060 120.738 119.800 -0.204 0.000 2.296 231 Q HA 0.444 4.764 4.340 -0.034 0.000 0.262 231 Q C 1.189 177.140 176.000 -0.082 0.000 0.981 231 Q CA 1.082 56.801 55.803 -0.139 0.000 0.905 231 Q CB -0.546 28.123 28.738 -0.115 0.000 1.186 231 Q HN 0.821 nan 8.270 nan 0.000 0.399 232 G N 3.240 111.998 108.800 -0.070 0.000 2.203 232 G HA2 -0.314 3.625 3.960 -0.034 0.000 0.263 232 G HA3 -0.314 3.625 3.960 -0.034 0.000 0.263 232 G C -0.262 174.630 174.900 -0.012 0.000 1.012 232 G CA 0.690 45.770 45.100 -0.033 0.000 0.749 232 G HN 0.567 nan 8.290 nan 0.000 0.512 233 Q N -0.955 118.833 119.800 -0.021 0.000 2.394 233 Q HA 0.613 4.933 4.340 -0.034 0.000 0.273 233 Q C 1.002 177.011 176.000 0.014 0.000 1.089 233 Q CA -0.134 55.687 55.803 0.030 0.000 0.812 233 Q CB 1.787 30.584 28.738 0.097 0.000 1.353 233 Q HN 0.412 nan 8.270 nan 0.000 0.438 234 S N -0.622 115.004 115.700 -0.123 0.000 2.556 234 S HA 0.186 4.636 4.470 -0.034 0.000 0.216 234 S C 0.909 175.484 174.600 -0.041 0.000 0.970 234 S CA -0.022 57.894 58.200 -0.473 0.000 0.912 234 S CB 0.357 62.785 63.200 -1.287 0.000 0.790 234 S HN 0.589 nan 8.310 nan 0.000 0.504 235 A N 2.284 125.254 122.820 0.249 0.000 3.051 235 A HA 0.478 4.777 4.320 -0.034 0.000 0.257 235 A C 0.140 177.966 177.584 0.404 0.000 1.785 235 A CA -0.546 51.714 52.037 0.371 0.000 1.420 235 A CB -1.354 17.797 19.000 0.251 0.000 1.063 235 A HN 0.905 nan 8.150 nan 0.000 0.630 236 H N -3.951 115.305 119.070 0.309 0.000 3.008 236 H HA 0.540 5.074 4.556 -0.036 0.000 0.354 236 H C -0.171 175.348 175.328 0.318 0.000 1.252 236 H CA -0.842 55.357 56.048 0.251 0.000 1.117 236 H CB 0.455 30.329 29.762 0.186 0.000 1.857 236 H HN 0.060 nan 8.280 nan 0.000 0.547 237 D N 0.294 120.869 120.400 0.292 0.000 2.116 237 D HA -0.222 4.397 4.640 -0.034 0.000 0.193 237 D C 2.144 178.503 176.300 0.099 0.000 0.998 237 D CA 3.154 57.259 54.000 0.175 0.000 0.836 237 D CB -0.383 40.500 40.800 0.138 0.000 0.951 237 D HN 0.793 nan 8.370 nan 0.000 0.449 238 T N -1.849 112.755 114.554 0.084 0.000 2.915 238 T HA -0.174 4.155 4.350 -0.034 0.000 0.269 238 T C 1.877 176.497 174.700 -0.133 0.000 1.071 238 T CA 0.595 62.705 62.100 0.017 0.000 1.132 238 T CB -0.613 68.316 68.868 0.102 0.000 0.878 238 T HN 0.160 nan 8.240 nan 0.000 0.479 239 F N 0.937 120.552 119.950 -0.559 0.000 2.084 239 F HA 0.100 4.605 4.527 -0.038 0.000 0.296 239 F C 1.829 177.335 175.800 -0.490 0.000 1.111 239 F CA 0.662 58.266 58.000 -0.661 0.000 1.224 239 F CB -0.627 37.800 39.000 -0.956 0.000 0.991 239 F HN 0.139 nan 8.300 nan 0.000 0.471 240 W N 0.721 121.923 121.300 -0.164 0.000 2.392 240 W HA -0.130 4.513 4.660 -0.028 0.000 0.279 240 W C 2.260 178.688 176.519 -0.151 0.000 1.225 240 W CA 1.072 58.318 57.345 -0.164 0.000 1.233 240 W CB -0.660 28.794 29.460 -0.009 0.000 1.122 240 W HN 0.111 nan 8.180 nan 0.000 0.561 241 D N -0.698 119.724 120.400 0.035 0.000 2.084 241 D HA -0.280 4.340 4.640 -0.034 0.000 0.196 241 D C 1.902 178.193 176.300 -0.015 0.000 0.985 241 D CA 1.414 55.425 54.000 0.019 0.000 0.826 241 D CB -0.565 40.258 40.800 0.039 0.000 0.978 241 D HN 0.176 nan 8.370 nan 0.000 0.456 242 Y N 0.442 120.630 120.300 -0.187 0.000 2.128 242 Y HA -0.193 4.338 4.550 -0.031 0.000 0.284 242 Y C 2.221 177.987 175.900 -0.223 0.000 1.154 242 Y CA 1.491 59.475 58.100 -0.195 0.000 1.149 242 Y CB -0.430 37.880 38.460 -0.251 0.000 0.976 242 Y HN -0.103 nan 8.280 nan 0.000 0.505 243 V N 0.075 119.879 119.914 -0.183 0.000 2.295 243 V HA -0.330 3.770 4.120 -0.034 0.000 0.246 243 V C 2.660 178.704 176.094 -0.083 0.000 1.049 243 V CA 2.174 64.355 62.300 -0.197 0.000 1.024 243 V CB -1.257 30.304 31.823 -0.437 0.000 0.648 243 V HN 0.661 nan 8.190 nan 0.000 0.447 244 S N 0.027 115.720 115.700 -0.012 0.000 2.419 244 S HA -0.139 4.311 4.470 -0.034 0.000 0.235 244 S C 1.705 176.275 174.600 -0.050 0.000 1.019 244 S CA 1.662 59.873 58.200 0.019 0.000 0.982 244 S CB -0.522 62.710 63.200 0.053 0.000 0.789 244 S HN 0.571 nan 8.310 nan 0.000 0.490 245 L N -0.055 121.091 121.223 -0.128 0.000 2.607 245 L HA 0.338 4.657 4.340 -0.034 0.000 0.228 245 L C 0.409 177.114 176.870 -0.276 0.000 1.123 245 L CA 0.060 54.796 54.840 -0.173 0.000 0.890 245 L CB 0.032 41.984 42.059 -0.178 0.000 1.103 245 L HN 0.263 nan 8.230 nan 0.000 0.468 246 Q N 0.187 119.789 119.800 -0.330 0.000 3.255 246 Q HA 0.229 4.549 4.340 -0.034 0.000 0.231 246 Q C -1.975 173.825 176.000 -0.333 0.000 0.935 246 Q CA -1.408 54.162 55.803 -0.389 0.000 0.714 246 Q CB 1.695 30.101 28.738 -0.554 0.000 1.345 246 Q HN -0.055 nan 8.270 nan 0.000 0.463 247 P HA -0.225 nan 4.420 nan 0.000 0.221 247 P C 1.023 178.019 177.300 -0.507 0.000 1.145 247 P CA 1.157 64.019 63.100 -0.397 0.000 0.795 247 P CB 0.260 31.724 31.700 -0.394 0.000 0.775 248 E N 0.625 120.390 120.200 -0.726 0.000 2.219 248 E HA -0.199 4.130 4.350 -0.034 0.000 0.198 248 E C 1.476 178.035 176.600 -0.068 0.000 0.998 248 E CA 1.947 58.186 56.400 -0.269 0.000 0.818 248 E CB -1.361 28.248 29.700 -0.152 0.000 0.741 248 E HN 0.306 nan 8.360 nan 0.000 0.477 249 T N -0.548 113.973 114.554 -0.055 0.000 3.035 249 T HA -0.004 4.326 4.350 -0.034 0.000 0.268 249 T C 1.980 176.757 174.700 0.129 0.000 1.109 249 T CA 0.557 62.692 62.100 0.058 0.000 1.119 249 T CB -0.343 68.591 68.868 0.108 0.000 0.900 249 T HN 0.140 nan 8.240 nan 0.000 0.503 250 L N 0.140 121.445 121.223 0.136 0.000 2.079 250 L HA -0.096 4.224 4.340 -0.034 0.000 0.210 250 L C 2.853 179.911 176.870 0.314 0.000 1.081 250 L CA 1.862 56.855 54.840 0.256 0.000 0.752 250 L CB -0.815 41.404 42.059 0.267 0.000 0.896 250 L HN 0.465 nan 8.230 nan 0.000 0.433 251 H N 0.027 119.164 119.070 0.111 0.000 2.267 251 H HA -0.225 4.311 4.556 -0.033 0.000 0.297 251 H C 2.192 177.543 175.328 0.039 0.000 1.080 251 H CA 1.960 58.072 56.048 0.107 0.000 1.278 251 H CB 0.176 29.955 29.762 0.029 0.000 1.365 251 H HN 0.382 nan 8.280 nan 0.000 0.489 252 N N -0.262 118.288 118.700 -0.249 0.000 2.244 252 N HA -0.132 4.588 4.740 -0.034 0.000 0.183 252 N C 1.979 177.369 175.510 -0.200 0.000 1.016 252 N CA 0.790 53.482 53.050 -0.596 0.000 0.866 252 N CB 0.256 37.880 38.487 -1.438 0.000 0.980 252 N HN 0.113 nan 8.380 nan 0.000 0.430 253 V N 1.727 121.734 119.914 0.155 0.000 2.343 253 V HA -0.263 3.836 4.120 -0.034 0.000 0.247 253 V C 2.502 178.756 176.094 0.267 0.000 1.051 253 V CA 1.284 63.802 62.300 0.363 0.000 1.036 253 V CB -0.378 31.707 31.823 0.437 0.000 0.654 253 V HN 0.400 nan 8.190 nan 0.000 0.451 254 M N -1.522 118.282 119.600 0.339 0.000 2.082 254 M HA -0.241 4.219 4.480 -0.034 0.000 0.258 254 M C 2.098 178.440 176.300 0.071 0.000 1.069 254 M CA 2.058 57.564 55.300 0.344 0.000 1.102 254 M CB -1.229 31.619 32.600 0.413 0.000 1.336 254 M HN 0.479 nan 8.290 nan 0.000 0.404 255 W N 0.358 121.419 121.300 -0.397 0.000 2.358 255 W HA -0.083 4.559 4.660 -0.030 0.000 0.303 255 W C 2.784 179.235 176.519 -0.114 0.000 1.208 255 W CA 1.745 58.814 57.345 -0.460 0.000 1.274 255 W CB -1.030 28.084 29.460 -0.577 0.000 1.138 255 W HN 0.302 nan 8.180 nan 0.000 0.515 256 A N -0.679 122.233 122.820 0.153 0.000 1.972 256 A HA -0.176 4.124 4.320 -0.034 0.000 0.219 256 A C 1.921 179.559 177.584 0.090 0.000 1.169 256 A CA 1.592 53.718 52.037 0.148 0.000 0.635 256 A CB -0.529 18.591 19.000 0.201 0.000 0.810 256 A HN 0.099 nan 8.150 nan 0.000 0.446 257 M N 0.541 120.155 119.600 0.024 0.000 2.506 257 M HA 0.037 4.497 4.480 -0.034 0.000 0.260 257 M C 1.421 177.770 176.300 0.083 0.000 1.104 257 M CA 0.700 55.953 55.300 -0.079 0.000 1.112 257 M CB -1.276 31.029 32.600 -0.493 0.000 1.401 257 M HN 0.545 nan 8.290 nan 0.000 0.473 258 S N 0.087 115.898 115.700 0.186 0.000 2.641 258 S HA 0.115 4.565 4.470 -0.034 0.000 0.261 258 S C 0.713 175.454 174.600 0.235 0.000 1.257 258 S CA -0.429 57.926 58.200 0.259 0.000 0.983 258 S CB 0.952 64.364 63.200 0.354 0.000 0.990 258 S HN 0.166 nan 8.310 nan 0.000 0.572 259 D N 0.059 120.621 120.400 0.269 0.000 2.371 259 D HA 0.053 4.673 4.640 -0.034 0.000 0.221 259 D C 1.862 178.319 176.300 0.262 0.000 0.986 259 D CA 0.314 54.490 54.000 0.293 0.000 0.899 259 D CB -0.143 40.903 40.800 0.410 0.000 0.902 259 D HN 0.378 nan 8.370 nan 0.000 0.530 260 R N 0.174 120.823 120.500 0.249 0.000 2.152 260 R HA -0.036 4.284 4.340 -0.034 0.000 0.232 260 R C 1.951 178.412 176.300 0.267 0.000 1.117 260 R CA 0.988 57.254 56.100 0.277 0.000 0.981 260 R CB -0.633 29.892 30.300 0.376 0.000 0.870 260 R HN 0.153 nan 8.270 nan 0.000 0.451 261 G N 1.192 110.135 108.800 0.239 0.000 2.920 261 G HA2 0.063 4.002 3.960 -0.034 0.000 0.208 261 G HA3 0.063 4.002 3.960 -0.034 0.000 0.208 261 G C 0.933 175.975 174.900 0.235 0.000 1.159 261 G CA -0.084 45.148 45.100 0.220 0.000 0.784 261 G HN 0.389 nan 8.290 nan 0.000 0.535 262 I N -2.396 118.325 120.570 0.252 0.000 2.933 262 I HA 0.343 4.493 4.170 -0.034 0.000 0.306 262 I C -2.799 173.481 176.117 0.271 0.000 1.516 262 I CA -2.525 58.933 61.300 0.262 0.000 0.819 262 I CB 1.622 39.774 38.000 0.254 0.000 2.085 262 I HN -0.267 nan 8.210 nan 0.000 0.621 263 P HA -0.026 nan 4.420 nan 0.000 0.265 263 P C 0.623 178.082 177.300 0.264 0.000 1.187 263 P CA 0.094 63.321 63.100 0.210 0.000 0.766 263 P CB 1.175 32.938 31.700 0.105 0.000 0.820 264 R N 2.537 123.167 120.500 0.217 0.000 2.092 264 R HA -0.014 4.306 4.340 -0.034 0.000 0.231 264 R C 0.529 176.985 176.300 0.260 0.000 1.119 264 R CA 1.590 57.867 56.100 0.295 0.000 0.970 264 R CB -0.328 30.115 30.300 0.238 0.000 0.864 264 R HN 0.540 nan 8.270 nan 0.000 0.440 265 S N -2.743 112.908 115.700 -0.081 0.000 2.565 265 S HA 0.235 4.684 4.470 -0.034 0.000 0.269 265 S C -0.264 174.057 174.600 -0.466 0.000 1.153 265 S CA -0.916 57.048 58.200 -0.394 0.000 0.835 265 S CB 0.280 63.389 63.200 -0.151 0.000 1.122 265 S HN 0.127 nan 8.310 nan 0.000 0.462 266 Y N 2.046 121.984 120.300 -0.604 0.000 2.333 266 Y HA 0.071 4.602 4.550 -0.032 0.000 0.290 266 Y C 2.434 177.985 175.900 -0.581 0.000 1.144 266 Y CA 1.135 58.747 58.100 -0.812 0.000 1.228 266 Y CB -0.379 37.226 38.460 -1.424 0.000 0.985 266 Y HN 0.571 nan 8.280 nan 0.000 0.542 267 R N -0.553 119.821 120.500 -0.211 0.000 2.148 267 R HA -0.044 4.275 4.340 -0.034 0.000 0.223 267 R C 1.099 177.352 176.300 -0.077 0.000 1.088 267 R CA 1.514 57.532 56.100 -0.137 0.000 0.985 267 R CB -0.364 29.850 30.300 -0.144 0.000 0.880 267 R HN 0.324 nan 8.270 nan 0.000 0.451 268 T N -1.317 113.208 114.554 -0.048 0.000 3.256 268 T HA 0.384 4.714 4.350 -0.034 0.000 0.249 268 T C 0.155 174.893 174.700 0.063 0.000 0.975 268 T CA -0.641 61.461 62.100 0.002 0.000 1.011 268 T CB -0.196 68.662 68.868 -0.017 0.000 1.127 268 T HN 0.085 nan 8.240 nan 0.000 0.543 269 M N -1.381 118.301 119.600 0.136 0.000 2.575 269 M HA 0.725 5.184 4.480 -0.034 0.000 0.284 269 M C -1.310 175.164 176.300 0.291 0.000 1.253 269 M CA -0.896 54.521 55.300 0.196 0.000 0.861 269 M CB 2.134 34.842 32.600 0.180 0.000 1.733 269 M HN -0.128 nan 8.290 nan 0.000 0.462 270 E N 0.292 120.654 120.200 0.270 0.000 2.312 270 E HA 0.698 5.028 4.350 -0.034 0.000 0.259 270 E C -0.368 176.291 176.600 0.098 0.000 1.122 270 E CA -0.644 55.840 56.400 0.140 0.000 0.922 270 E CB 1.737 31.423 29.700 -0.022 0.000 1.109 270 E HN 0.852 nan 8.360 nan 0.000 0.442 271 G N 0.650 109.317 108.800 -0.220 0.000 2.591 271 G HA2 0.625 4.565 3.960 -0.034 0.000 0.306 271 G HA3 0.625 4.565 3.960 -0.034 0.000 0.306 271 G C -1.522 172.987 174.900 -0.652 0.000 1.334 271 G CA -0.446 44.495 45.100 -0.264 0.000 0.981 271 G HN 0.273 nan 8.290 nan 0.000 0.491 272 F N -0.014 119.855 119.950 -0.135 0.000 2.596 272 F HA 0.480 4.985 4.527 -0.036 0.000 0.311 272 F C 1.081 176.784 175.800 -0.161 0.000 1.116 272 F CA -0.513 57.340 58.000 -0.245 0.000 0.957 272 F CB 2.501 41.312 39.000 -0.315 0.000 1.250 272 F HN 0.613 nan 8.300 nan 0.000 0.444 273 G N 1.157 110.011 108.800 0.090 0.000 2.572 273 G HA2 0.062 4.001 3.960 -0.034 0.000 0.216 273 G HA3 0.062 4.001 3.960 -0.034 0.000 0.216 273 G C 1.265 176.219 174.900 0.091 0.000 1.133 273 G CA 0.988 46.196 45.100 0.180 0.000 0.791 273 G HN 0.813 nan 8.290 nan 0.000 0.538 274 I N -1.220 119.329 120.570 -0.035 0.000 4.519 274 I HA -0.318 3.832 4.170 -0.034 0.000 0.056 274 I C 0.535 176.527 176.117 -0.209 0.000 0.610 274 I CA 1.533 62.692 61.300 -0.234 0.000 0.951 274 I CB -1.165 36.586 38.000 -0.415 0.000 0.858 274 I HN 0.260 nan 8.210 nan 0.000 0.164 275 H N 2.194 121.265 119.070 0.003 0.000 2.690 275 H HA 0.254 4.788 4.556 -0.037 0.000 0.365 275 H C 0.107 175.350 175.328 -0.141 0.000 1.142 275 H CA 0.498 56.456 56.048 -0.149 0.000 1.417 275 H CB 0.410 29.927 29.762 -0.407 0.000 1.446 275 H HN 0.169 nan 8.280 nan 0.000 0.599 276 T N 3.701 118.211 114.554 -0.074 0.000 2.794 276 T HA 0.252 4.582 4.350 -0.034 0.000 0.296 276 T C 0.245 174.848 174.700 -0.160 0.000 0.949 276 T CA -0.005 62.037 62.100 -0.097 0.000 1.101 276 T CB -0.038 68.723 68.868 -0.177 0.000 0.905 276 T HN 0.238 nan 8.240 nan 0.000 0.516 277 F N 1.287 121.204 119.950 -0.056 0.000 2.656 277 F HA 0.677 5.181 4.527 -0.038 0.000 0.394 277 F C 0.959 176.726 175.800 -0.056 0.000 1.168 277 F CA -1.305 56.685 58.000 -0.018 0.000 1.135 277 F CB 1.348 40.330 39.000 -0.029 0.000 1.480 277 F HN 0.173 nan 8.300 nan 0.000 0.500 278 R N 0.629 121.200 120.500 0.117 0.000 2.628 278 R HA 0.597 4.917 4.340 -0.034 0.000 0.288 278 R C -1.747 174.448 176.300 -0.175 0.000 0.980 278 R CA -0.811 55.230 56.100 -0.099 0.000 0.891 278 R CB 2.053 32.238 30.300 -0.192 0.000 1.188 278 R HN 0.423 nan 8.270 nan 0.000 0.450 279 L N 4.129 125.198 121.223 -0.256 0.000 2.289 279 L HA 0.519 4.839 4.340 -0.034 0.000 0.285 279 L C -0.350 176.363 176.870 -0.262 0.000 1.049 279 L CA -0.862 53.829 54.840 -0.249 0.000 0.804 279 L CB 1.142 43.053 42.059 -0.247 0.000 1.195 279 L HN 0.366 nan 8.230 nan 0.000 0.428 280 I N 3.038 123.474 120.570 -0.223 0.000 2.389 280 I HA 0.281 4.431 4.170 -0.034 0.000 0.288 280 I C -0.125 175.898 176.117 -0.156 0.000 0.999 280 I CA -0.653 60.518 61.300 -0.215 0.000 1.129 280 I CB 1.347 39.227 38.000 -0.200 0.000 1.288 280 I HN 0.637 nan 8.210 nan 0.000 0.444 281 N N 5.000 123.621 118.700 -0.133 0.000 2.476 281 N HA 0.367 5.087 4.740 -0.034 0.000 0.287 281 N C 0.761 176.224 175.510 -0.078 0.000 1.262 281 N CA -0.415 52.577 53.050 -0.096 0.000 0.980 281 N CB 0.580 39.019 38.487 -0.080 0.000 1.163 281 N HN 0.520 nan 8.380 nan 0.000 0.592 282 A N -0.982 121.802 122.820 -0.060 0.000 2.066 282 A HA -0.141 4.158 4.320 -0.034 0.000 0.218 282 A C 1.724 179.284 177.584 -0.041 0.000 1.157 282 A CA 1.377 53.386 52.037 -0.048 0.000 0.670 282 A CB -0.996 17.982 19.000 -0.037 0.000 0.804 282 A HN 0.885 nan 8.150 nan 0.000 0.453 283 E N -1.543 118.633 120.200 -0.039 0.000 2.358 283 E HA 0.266 4.596 4.350 -0.034 0.000 0.195 283 E C 1.088 177.673 176.600 -0.025 0.000 1.010 283 E CA 0.722 57.104 56.400 -0.030 0.000 0.856 283 E CB -0.313 29.371 29.700 -0.027 0.000 0.795 283 E HN 0.751 nan 8.360 nan 0.000 0.504 284 G N 1.627 110.407 108.800 -0.033 0.000 2.148 284 G HA2 -0.307 3.633 3.960 -0.034 0.000 0.203 284 G HA3 -0.307 3.633 3.960 -0.034 0.000 0.203 284 G C -0.002 174.902 174.900 0.007 0.000 0.993 284 G CA 0.099 45.195 45.100 -0.007 0.000 0.661 284 G HN 0.352 nan 8.290 nan 0.000 0.518 285 K N 0.771 121.140 120.400 -0.052 0.000 2.298 285 K HA 0.677 4.977 4.320 -0.034 0.000 0.280 285 K C 0.501 176.961 176.600 -0.234 0.000 1.032 285 K CA 0.200 56.430 56.287 -0.095 0.000 0.958 285 K CB 0.672 33.121 32.500 -0.084 0.000 0.978 285 K HN 0.610 nan 8.250 nan 0.000 0.472 286 A N 3.409 125.981 122.820 -0.414 0.000 2.292 286 A HA 0.426 4.725 4.320 -0.034 0.000 0.319 286 A C -0.862 176.387 177.584 -0.558 0.000 1.206 286 A CA -0.555 51.072 52.037 -0.685 0.000 0.835 286 A CB 1.107 19.235 19.000 -1.453 0.000 1.164 286 A HN 0.729 nan 8.150 nan 0.000 0.505 287 T N 2.555 116.826 114.554 -0.472 0.000 2.841 287 T HA 0.516 4.846 4.350 -0.034 0.000 0.285 287 T C -0.668 173.826 174.700 -0.343 0.000 0.991 287 T CA -0.135 61.743 62.100 -0.369 0.000 0.966 287 T CB 0.406 69.149 68.868 -0.209 0.000 0.962 287 T HN 0.334 nan 8.240 nan 0.000 0.438 288 F N 2.303 122.151 119.950 -0.170 0.000 2.484 288 F HA 0.504 5.010 4.527 -0.035 0.000 0.360 288 F C 0.582 176.261 175.800 -0.203 0.000 1.101 288 F CA -0.470 57.428 58.000 -0.171 0.000 1.251 288 F CB 0.589 39.508 39.000 -0.134 0.000 1.132 288 F HN 0.212 nan 8.300 nan 0.000 0.570 289 V N 4.918 124.786 119.914 -0.077 0.000 2.925 289 V HA 0.649 4.749 4.120 -0.034 0.000 0.311 289 V C -1.033 174.835 176.094 -0.376 0.000 1.104 289 V CA -0.815 61.294 62.300 -0.318 0.000 0.954 289 V CB 2.275 33.691 31.823 -0.680 0.000 1.022 289 V HN 0.778 nan 8.190 nan 0.000 0.427 290 R N 4.601 124.920 120.500 -0.301 0.000 2.513 290 R HA 0.532 4.851 4.340 -0.034 0.000 0.301 290 R C -1.711 174.544 176.300 -0.075 0.000 0.968 290 R CA -0.447 55.545 56.100 -0.180 0.000 0.872 290 R CB 2.025 32.332 30.300 0.012 0.000 1.177 290 R HN 0.594 nan 8.270 nan 0.000 0.444 291 F N 2.491 122.494 119.950 0.088 0.000 2.396 291 F HA 0.350 4.855 4.527 -0.036 0.000 0.343 291 F C 0.964 176.701 175.800 -0.105 0.000 1.104 291 F CA 0.043 58.052 58.000 0.014 0.000 1.161 291 F CB 0.811 39.721 39.000 -0.149 0.000 1.146 291 F HN 0.207 nan 8.300 nan 0.000 0.522 292 H N 1.238 120.296 119.070 -0.019 0.000 2.806 292 H HA 0.207 4.744 4.556 -0.032 0.000 0.367 292 H C -1.602 173.488 175.328 -0.397 0.000 1.136 292 H CA -1.005 54.927 56.048 -0.193 0.000 1.178 292 H CB 1.858 31.601 29.762 -0.032 0.000 1.718 292 H HN 0.691 nan 8.280 nan 0.000 0.540 293 W N 2.902 124.090 121.300 -0.188 0.000 2.411 293 W HA 0.310 4.948 4.660 -0.038 0.000 0.317 293 W C -0.019 176.513 176.519 0.021 0.000 1.030 293 W CA -0.718 56.546 57.345 -0.134 0.000 1.239 293 W CB 1.619 30.785 29.460 -0.490 0.000 1.304 293 W HN 0.244 nan 8.180 nan 0.000 0.437 294 K N 5.945 126.598 120.400 0.420 0.000 2.235 294 K HA 0.387 4.687 4.320 -0.034 0.000 0.266 294 K C -2.439 174.376 176.600 0.358 0.000 0.980 294 K CA -1.936 54.537 56.287 0.310 0.000 0.849 294 K CB 1.526 34.160 32.500 0.223 0.000 1.098 294 K HN 0.043 nan 8.250 nan 0.000 0.445 295 P HA 0.049 nan 4.420 nan 0.000 0.276 295 P C 0.358 177.673 177.300 0.026 0.000 1.253 295 P CA -0.036 63.137 63.100 0.121 0.000 0.766 295 P CB 0.685 32.461 31.700 0.128 0.000 0.845 296 L N 2.664 123.853 121.223 -0.056 0.000 2.395 296 L HA -0.047 4.273 4.340 -0.034 0.000 0.218 296 L C 2.221 179.074 176.870 -0.029 0.000 1.130 296 L CA 0.987 55.821 54.840 -0.009 0.000 0.826 296 L CB -0.549 41.515 42.059 0.008 0.000 0.941 296 L HN 0.335 nan 8.230 nan 0.000 0.451 297 A N 0.041 122.815 122.820 -0.078 0.000 2.206 297 A HA 0.383 4.683 4.320 -0.034 0.000 0.211 297 A C 1.251 178.830 177.584 -0.008 0.000 1.158 297 A CA 0.760 52.769 52.037 -0.048 0.000 0.761 297 A CB -0.354 18.602 19.000 -0.074 0.000 0.801 297 A HN 0.453 nan 8.150 nan 0.000 0.473 298 G N -0.837 107.972 108.800 0.014 0.000 2.663 298 G HA2 -0.090 3.849 3.960 -0.034 0.000 0.686 298 G HA3 -0.090 3.849 3.960 -0.034 0.000 0.686 298 G C -0.717 174.206 174.900 0.037 0.000 1.288 298 G CA -0.477 44.648 45.100 0.042 0.000 0.836 298 G HN 0.439 nan 8.290 nan 0.000 0.584 299 K N 0.078 120.503 120.400 0.041 0.000 2.172 299 K HA 0.734 5.034 4.320 -0.034 0.000 0.276 299 K C 0.196 176.777 176.600 -0.032 0.000 1.013 299 K CA 0.178 56.472 56.287 0.013 0.000 0.913 299 K CB 1.814 34.311 32.500 -0.006 0.000 1.055 299 K HN 1.508 nan 8.250 nan 0.000 0.461 300 A N 1.699 124.496 122.820 -0.039 0.000 2.513 300 A HA 0.532 4.831 4.320 -0.034 0.000 0.296 300 A C -1.128 176.503 177.584 0.078 0.000 1.052 300 A CA -0.670 51.305 52.037 -0.103 0.000 0.714 300 A CB 1.637 20.423 19.000 -0.357 0.000 1.279 300 A HN 0.508 nan 8.150 nan 0.000 0.397 301 S N 0.780 116.692 115.700 0.354 0.000 2.634 301 S HA 0.774 5.223 4.470 -0.034 0.000 0.296 301 S C 0.083 174.995 174.600 0.518 0.000 1.104 301 S CA -0.602 57.842 58.200 0.407 0.000 0.920 301 S CB 1.162 64.599 63.200 0.396 0.000 1.111 301 S HN 0.641 nan 8.310 nan 0.000 0.493 302 L N 1.253 122.675 121.223 0.332 0.000 2.505 302 L HA 0.539 4.858 4.340 -0.034 0.000 0.226 302 L C -0.059 176.916 176.870 0.175 0.000 1.211 302 L CA -0.740 54.215 54.840 0.192 0.000 0.828 302 L CB 0.169 42.255 42.059 0.046 0.000 1.331 302 L HN 0.473 nan 8.230 nan 0.000 0.513 303 V N -3.283 116.628 119.914 -0.004 0.000 2.769 303 V HA 0.178 4.278 4.120 -0.034 0.000 0.312 303 V C 0.674 176.709 176.094 -0.097 0.000 1.058 303 V CA -0.852 61.425 62.300 -0.038 0.000 0.952 303 V CB 1.594 33.370 31.823 -0.077 0.000 1.019 303 V HN 0.940 nan 8.190 nan 0.000 0.445 304 W N 2.186 123.351 121.300 -0.225 0.000 2.304 304 W HA -0.264 4.375 4.660 -0.035 0.000 0.315 304 W C 1.708 178.071 176.519 -0.260 0.000 1.233 304 W CA 2.669 59.874 57.345 -0.232 0.000 1.261 304 W CB -0.060 29.244 29.460 -0.260 0.000 1.150 304 W HN 1.003 nan 8.180 nan 0.000 0.494 305 D N 0.097 120.219 120.400 -0.464 0.000 2.144 305 D HA -0.271 4.349 4.640 -0.034 0.000 0.199 305 D C 2.177 178.131 176.300 -0.578 0.000 0.984 305 D CA 1.980 55.675 54.000 -0.509 0.000 0.834 305 D CB -0.465 40.291 40.800 -0.072 0.000 0.955 305 D HN 0.367 nan 8.370 nan 0.000 0.465 306 E N -0.404 119.309 120.200 -0.813 0.000 2.072 306 E HA -0.174 4.156 4.350 -0.034 0.000 0.191 306 E C 1.975 178.231 176.600 -0.574 0.000 0.985 306 E CA 0.959 56.834 56.400 -0.874 0.000 0.801 306 E CB -0.157 28.904 29.700 -1.065 0.000 0.750 306 E HN 0.305 nan 8.360 nan 0.000 0.452 307 A N 1.190 123.698 122.820 -0.520 0.000 1.902 307 A HA -0.240 4.060 4.320 -0.034 0.000 0.217 307 A C 2.165 179.430 177.584 -0.532 0.000 1.181 307 A CA 1.715 53.493 52.037 -0.431 0.000 0.623 307 A CB -0.638 18.221 19.000 -0.236 0.000 0.818 307 A HN 0.421 nan 8.150 nan 0.000 0.443 308 Q N -0.511 118.776 119.800 -0.853 0.000 2.119 308 Q HA -0.137 4.183 4.340 -0.034 0.000 0.201 308 Q C 1.878 177.606 176.000 -0.454 0.000 0.972 308 Q CA 1.336 56.657 55.803 -0.803 0.000 0.847 308 Q CB -0.068 27.887 28.738 -1.305 0.000 0.903 308 Q HN 0.561 nan 8.270 nan 0.000 0.433 309 K N 0.136 120.289 120.400 -0.412 0.000 2.148 309 K HA -0.116 4.184 4.320 -0.034 0.000 0.204 309 K C 2.003 178.464 176.600 -0.232 0.000 1.050 309 K CA 0.494 56.630 56.287 -0.252 0.000 0.942 309 K CB -0.020 32.373 32.500 -0.180 0.000 0.724 309 K HN 0.203 nan 8.250 nan 0.000 0.446 310 L N 1.508 122.548 121.223 -0.305 0.000 2.141 310 L HA -0.135 4.184 4.340 -0.034 0.000 0.209 310 L C 2.462 179.199 176.870 -0.223 0.000 1.094 310 L CA 1.903 56.558 54.840 -0.308 0.000 0.763 310 L CB -1.087 40.688 42.059 -0.473 0.000 0.908 310 L HN 0.297 nan 8.230 nan 0.000 0.437 311 T N -4.549 109.877 114.554 -0.213 0.000 2.881 311 T HA -0.085 4.245 4.350 -0.034 0.000 0.270 311 T C 1.847 176.485 174.700 -0.103 0.000 1.068 311 T CA 1.067 63.084 62.100 -0.139 0.000 1.131 311 T CB -0.810 67.987 68.868 -0.119 0.000 0.871 311 T HN 0.347 nan 8.240 nan 0.000 0.479 312 G N 0.954 109.687 108.800 -0.112 0.000 2.459 312 G HA2 0.026 3.966 3.960 -0.034 0.000 0.213 312 G HA3 0.026 3.966 3.960 -0.034 0.000 0.213 312 G C 1.912 176.770 174.900 -0.068 0.000 1.155 312 G CA -0.292 44.760 45.100 -0.081 0.000 0.811 312 G HN 0.322 nan 8.290 nan 0.000 0.534 313 R N 0.156 120.608 120.500 -0.080 0.000 2.119 313 R HA 0.068 4.387 4.340 -0.034 0.000 0.222 313 R C -0.190 176.091 176.300 -0.033 0.000 1.088 313 R CA 0.688 56.756 56.100 -0.053 0.000 0.984 313 R CB -0.038 30.229 30.300 -0.056 0.000 0.884 313 R HN 0.290 nan 8.270 nan 0.000 0.447 314 D N -0.347 120.030 120.400 -0.040 0.000 2.527 314 D HA 0.150 4.770 4.640 -0.034 0.000 0.242 314 D C -2.101 174.204 176.300 0.009 0.000 1.285 314 D CA -1.781 52.226 54.000 0.012 0.000 0.886 314 D CB 1.212 42.071 40.800 0.098 0.000 1.402 314 D HN -0.162 nan 8.370 nan 0.000 0.528 315 P HA -0.037 nan 4.420 nan 0.000 0.226 315 P C 0.155 177.462 177.300 0.012 0.000 1.146 315 P CA 0.818 63.908 63.100 -0.015 0.000 0.773 315 P CB 0.463 32.151 31.700 -0.021 0.000 0.772 316 D N -1.881 118.537 120.400 0.031 0.000 2.424 316 D HA 0.073 4.692 4.640 -0.034 0.000 0.220 316 D C 1.277 177.619 176.300 0.069 0.000 1.150 316 D CA -0.442 53.583 54.000 0.042 0.000 0.831 316 D CB -0.455 40.347 40.800 0.005 0.000 0.981 316 D HN 0.105 nan 8.370 nan 0.000 0.500 317 F N 1.687 121.585 119.950 -0.085 0.000 2.065 317 F HA -0.285 4.221 4.527 -0.035 0.000 0.298 317 F C 2.167 177.951 175.800 -0.027 0.000 1.112 317 F CA 1.981 59.928 58.000 -0.089 0.000 1.212 317 F CB -0.058 38.839 39.000 -0.173 0.000 0.975 317 F HN 0.102 nan 8.300 nan 0.000 0.476 318 H N -1.030 117.959 119.070 -0.135 0.000 2.353 318 H HA -0.147 4.388 4.556 -0.035 0.000 0.300 318 H C 2.440 177.627 175.328 -0.235 0.000 1.090 318 H CA 1.056 56.862 56.048 -0.403 0.000 1.327 318 H CB -0.178 29.212 29.762 -0.621 0.000 1.383 318 H HN 0.207 nan 8.280 nan 0.000 0.508 319 R N 1.232 121.811 120.500 0.132 0.000 2.091 319 R HA -0.146 4.174 4.340 -0.034 0.000 0.238 319 R C 2.456 178.859 176.300 0.170 0.000 1.136 319 R CA 1.408 57.648 56.100 0.233 0.000 0.959 319 R CB -0.064 30.372 30.300 0.227 0.000 0.856 319 R HN 0.210 nan 8.270 nan 0.000 0.437 320 R N 0.347 120.873 120.500 0.044 0.000 2.066 320 R HA -0.185 4.134 4.340 -0.034 0.000 0.232 320 R C 2.179 178.482 176.300 0.006 0.000 1.131 320 R CA 1.973 58.083 56.100 0.017 0.000 0.955 320 R CB -0.211 30.057 30.300 -0.053 0.000 0.851 320 R HN 0.249 nan 8.270 nan 0.000 0.432 321 E N 0.727 120.823 120.200 -0.173 0.000 2.085 321 E HA -0.220 4.109 4.350 -0.034 0.000 0.194 321 E C 1.869 178.440 176.600 -0.047 0.000 0.994 321 E CA 1.357 57.630 56.400 -0.212 0.000 0.801 321 E CB -0.424 28.976 29.700 -0.500 0.000 0.743 321 E HN 0.316 nan 8.360 nan 0.000 0.453 322 L N 0.192 121.429 121.223 0.023 0.000 1.994 322 L HA -0.103 4.216 4.340 -0.034 0.000 0.208 322 L C 2.238 179.205 176.870 0.162 0.000 1.071 322 L CA 2.191 57.096 54.840 0.108 0.000 0.745 322 L CB -1.046 41.148 42.059 0.224 0.000 0.892 322 L HN 0.436 nan 8.230 nan 0.000 0.431 323 W N 0.937 122.274 121.300 0.062 0.000 2.335 323 W HA -0.232 4.406 4.660 -0.036 0.000 0.311 323 W C 2.212 178.764 176.519 0.054 0.000 1.213 323 W CA 2.293 59.684 57.345 0.078 0.000 1.274 323 W CB -0.163 29.345 29.460 0.080 0.000 1.148 323 W HN 0.363 nan 8.180 nan 0.000 0.498 324 E N -0.264 120.116 120.200 0.300 0.000 2.216 324 E HA -0.069 4.261 4.350 -0.034 0.000 0.192 324 E C 2.309 178.944 176.600 0.057 0.000 0.988 324 E CA 0.773 57.274 56.400 0.167 0.000 0.834 324 E CB -0.255 29.500 29.700 0.091 0.000 0.772 324 E HN 0.177 nan 8.360 nan 0.000 0.479 325 A N 1.356 124.207 122.820 0.052 0.000 1.873 325 A HA -0.148 4.152 4.320 -0.034 0.000 0.215 325 A C 2.154 179.778 177.584 0.067 0.000 1.186 325 A CA 0.948 53.011 52.037 0.045 0.000 0.616 325 A CB -0.478 18.546 19.000 0.039 0.000 0.823 325 A HN 0.116 nan 8.150 nan 0.000 0.442 326 I N -0.411 120.213 120.570 0.089 0.000 2.252 326 I HA -0.233 3.917 4.170 -0.034 0.000 0.245 326 I C 2.437 178.636 176.117 0.136 0.000 1.102 326 I CA 1.414 62.815 61.300 0.169 0.000 1.385 326 I CB -0.434 37.580 38.000 0.024 0.000 1.064 326 I HN 0.422 nan 8.210 nan 0.000 0.414 327 E N 0.868 121.093 120.200 0.040 0.000 2.153 327 E HA -0.177 4.152 4.350 -0.034 0.000 0.194 327 E C 2.144 178.775 176.600 0.051 0.000 0.988 327 E CA 1.186 57.622 56.400 0.060 0.000 0.811 327 E CB -0.085 29.680 29.700 0.108 0.000 0.746 327 E HN 0.499 nan 8.360 nan 0.000 0.466 328 A N 0.174 123.004 122.820 0.016 0.000 2.208 328 A HA 0.191 4.490 4.320 -0.034 0.000 0.209 328 A C 1.755 179.302 177.584 -0.061 0.000 1.161 328 A CA 0.937 52.964 52.037 -0.018 0.000 0.782 328 A CB -0.168 18.807 19.000 -0.042 0.000 0.816 328 A HN 0.332 nan 8.150 nan 0.000 0.477 329 G N -0.484 108.226 108.800 -0.150 0.000 2.141 329 G HA2 -0.195 3.744 3.960 -0.034 0.000 0.242 329 G HA3 -0.195 3.744 3.960 -0.034 0.000 0.242 329 G C -0.215 174.278 174.900 -0.679 0.000 0.982 329 G CA 0.244 44.997 45.100 -0.577 0.000 0.662 329 G HN 0.441 nan 8.290 nan 0.000 0.527 330 D N 0.907 121.136 120.400 -0.285 0.000 2.994 330 D HA 0.263 4.883 4.640 -0.034 0.000 0.240 330 D C 0.865 177.129 176.300 -0.060 0.000 1.195 330 D CA -0.205 53.700 54.000 -0.158 0.000 0.957 330 D CB -0.685 40.116 40.800 0.002 0.000 1.105 330 D HN 0.460 nan 8.370 nan 0.000 0.477 331 F N 1.334 121.286 119.950 0.003 0.000 2.602 331 F HA 0.075 4.582 4.527 -0.034 0.000 0.385 331 F C -1.405 174.363 175.800 -0.053 0.000 1.063 331 F CA -1.922 56.071 58.000 -0.012 0.000 1.233 331 F CB -0.155 38.849 39.000 0.007 0.000 1.067 331 F HN -0.098 nan 8.300 nan 0.000 0.564 332 P HA 0.021 nan 4.420 nan 0.000 0.262 332 P C -1.103 176.138 177.300 -0.099 0.000 1.199 332 P CA 0.371 63.443 63.100 -0.047 0.000 0.763 332 P CB 0.426 32.178 31.700 0.088 0.000 0.790 333 E N 2.694 122.697 120.200 -0.328 0.000 2.272 333 E HA 0.446 4.776 4.350 -0.034 0.000 0.269 333 E C -1.072 175.278 176.600 -0.418 0.000 0.877 333 E CA -0.618 55.660 56.400 -0.203 0.000 0.755 333 E CB 1.651 31.326 29.700 -0.040 0.000 1.192 333 E HN 0.368 nan 8.360 nan 0.000 0.422 334 Y N 0.262 120.634 120.300 0.120 0.000 2.512 334 Y HA 0.300 4.831 4.550 -0.031 0.000 0.348 334 Y C -0.158 175.957 175.900 0.358 0.000 0.990 334 Y CA -1.057 57.187 58.100 0.240 0.000 1.033 334 Y CB 2.123 40.728 38.460 0.242 0.000 1.259 334 Y HN 0.495 nan 8.280 nan 0.000 0.461 335 E N 2.264 122.772 120.200 0.513 0.000 2.156 335 E HA 0.404 4.733 4.350 -0.034 0.000 0.279 335 E C -1.528 175.316 176.600 0.408 0.000 0.965 335 E CA -0.970 55.668 56.400 0.396 0.000 0.789 335 E CB 1.054 30.929 29.700 0.292 0.000 1.098 335 E HN 0.585 nan 8.360 nan 0.000 0.397 336 L N 4.368 125.757 121.223 0.277 0.000 2.367 336 L HA 0.494 4.813 4.340 -0.034 0.000 0.275 336 L C -0.102 176.673 176.870 -0.158 0.000 1.129 336 L CA 0.603 55.353 54.840 -0.151 0.000 0.839 336 L CB 0.888 42.839 42.059 -0.180 0.000 1.133 336 L HN 0.571 nan 8.230 nan 0.000 0.453 337 G N 4.736 113.470 108.800 -0.110 0.000 2.571 337 G HA2 0.563 4.502 3.960 -0.034 0.000 0.304 337 G HA3 0.563 4.502 3.960 -0.034 0.000 0.304 337 G C -1.537 173.498 174.900 0.224 0.000 1.314 337 G CA -0.513 44.568 45.100 -0.031 0.000 0.975 337 G HN 0.471 nan 8.290 nan 0.000 0.485 338 F N 0.231 120.184 119.950 0.005 0.000 2.482 338 F HA 0.398 4.906 4.527 -0.033 0.000 0.331 338 F C 0.397 176.174 175.800 -0.038 0.000 1.115 338 F CA -0.990 57.013 58.000 0.005 0.000 0.955 338 F CB 2.602 41.595 39.000 -0.012 0.000 1.136 338 F HN 0.123 nan 8.300 nan 0.000 0.452 339 Q N 4.258 124.149 119.800 0.152 0.000 2.331 339 Q HA 0.455 4.774 4.340 -0.034 0.000 0.257 339 Q C -1.047 174.983 176.000 0.051 0.000 0.957 339 Q CA -0.464 55.382 55.803 0.071 0.000 0.923 339 Q CB 1.898 30.684 28.738 0.079 0.000 1.212 339 Q HN 0.537 nan 8.270 nan 0.000 0.443 340 L N 4.443 125.705 121.223 0.064 0.000 2.296 340 L HA 0.548 4.867 4.340 -0.034 0.000 0.286 340 L C -0.726 176.186 176.870 0.070 0.000 1.023 340 L CA -0.740 54.126 54.840 0.043 0.000 0.812 340 L CB 0.995 43.087 42.059 0.056 0.000 1.223 340 L HN 0.500 nan 8.230 nan 0.000 0.421 341 I N 4.697 125.321 120.570 0.090 0.000 2.447 341 I HA 0.400 4.550 4.170 -0.034 0.000 0.287 341 I C -2.288 173.921 176.117 0.153 0.000 1.023 341 I CA -1.863 59.532 61.300 0.158 0.000 1.083 341 I CB 1.802 39.921 38.000 0.199 0.000 1.245 341 I HN 0.310 nan 8.210 nan 0.000 0.434 342 P HA 0.030 nan 4.420 nan 0.000 0.268 342 P C 0.732 178.056 177.300 0.040 0.000 1.208 342 P CA -0.119 62.995 63.100 0.023 0.000 0.777 342 P CB 0.823 32.539 31.700 0.026 0.000 0.875 343 E N 1.339 121.455 120.200 -0.140 0.000 2.118 343 E HA -0.270 4.060 4.350 -0.034 0.000 0.195 343 E C 0.923 177.571 176.600 0.080 0.000 0.992 343 E CA 1.441 57.740 56.400 -0.168 0.000 0.804 343 E CB -0.030 29.505 29.700 -0.275 0.000 0.741 343 E HN 0.416 nan 8.360 nan 0.000 0.458 344 E N 0.661 120.896 120.200 0.059 0.000 2.338 344 E HA -0.133 4.197 4.350 -0.034 0.000 0.197 344 E C 0.745 177.405 176.600 0.101 0.000 1.007 344 E CA 1.024 57.476 56.400 0.087 0.000 0.849 344 E CB 0.034 29.768 29.700 0.056 0.000 0.774 344 E HN 0.278 nan 8.360 nan 0.000 0.506 345 D N 0.105 120.574 120.400 0.115 0.000 2.340 345 D HA -0.017 4.602 4.640 -0.034 0.000 0.217 345 D C 1.244 177.601 176.300 0.095 0.000 1.081 345 D CA 0.069 54.127 54.000 0.097 0.000 0.842 345 D CB 0.021 40.898 40.800 0.128 0.000 0.934 345 D HN 0.284 nan 8.370 nan 0.000 0.511 346 E N -0.012 120.200 120.200 0.020 0.000 2.108 346 E HA -0.218 4.112 4.350 -0.034 0.000 0.203 346 E C 0.373 176.679 176.600 -0.490 0.000 1.022 346 E CA 1.207 57.402 56.400 -0.341 0.000 0.823 346 E CB -0.021 29.275 29.700 -0.673 0.000 0.744 346 E HN 0.280 nan 8.360 nan 0.000 0.456 347 F N -0.411 119.567 119.950 0.047 0.000 2.730 347 F HA 0.273 4.779 4.527 -0.034 0.000 0.295 347 F C 1.353 177.107 175.800 -0.077 0.000 1.143 347 F CA -0.222 57.775 58.000 -0.005 0.000 1.367 347 F CB 0.495 39.493 39.000 -0.003 0.000 0.970 347 F HN -0.172 nan 8.300 nan 0.000 0.514 348 K N -0.126 120.231 120.400 -0.072 0.000 2.426 348 K HA 0.124 4.423 4.320 -0.034 0.000 0.193 348 K C -0.080 176.126 176.600 -0.656 0.000 1.028 348 K CA 0.292 56.359 56.287 -0.366 0.000 1.047 348 K CB 0.235 32.438 32.500 -0.496 0.000 0.821 348 K HN 0.114 nan 8.250 nan 0.000 0.513 349 F N 0.466 120.257 119.950 -0.264 0.000 2.461 349 F HA 0.112 4.619 4.527 -0.032 0.000 0.332 349 F C 1.137 176.738 175.800 -0.331 0.000 1.073 349 F CA -1.258 56.485 58.000 -0.429 0.000 1.017 349 F CB 0.541 38.873 39.000 -1.114 0.000 1.301 349 F HN -0.020 nan 8.300 nan 0.000 0.492 350 D N -0.625 119.766 120.400 -0.015 0.000 2.358 350 D HA 0.107 4.726 4.640 -0.034 0.000 0.224 350 D C -0.601 175.801 176.300 0.171 0.000 1.123 350 D CA 0.029 54.079 54.000 0.085 0.000 0.833 350 D CB -0.898 39.976 40.800 0.123 0.000 0.946 350 D HN 0.244 nan 8.370 nan 0.000 0.505 351 F N -2.053 117.989 119.950 0.153 0.000 2.620 351 F HA 0.523 5.029 4.527 -0.035 0.000 0.320 351 F C -0.340 175.463 175.800 0.005 0.000 1.069 351 F CA -1.685 56.329 58.000 0.024 0.000 0.953 351 F CB 0.945 39.914 39.000 -0.051 0.000 1.322 351 F HN -0.338 nan 8.300 nan 0.000 0.479 352 D N 1.747 122.193 120.400 0.077 0.000 2.351 352 D HA 0.201 4.820 4.640 -0.034 0.000 0.251 352 D C 0.988 177.274 176.300 -0.023 0.000 1.137 352 D CA 0.041 54.040 54.000 -0.001 0.000 0.879 352 D CB 1.452 42.277 40.800 0.041 0.000 1.181 352 D HN 0.742 nan 8.370 nan 0.000 0.448 353 L N 3.506 124.644 121.223 -0.142 0.000 2.275 353 L HA -0.092 4.227 4.340 -0.034 0.000 0.215 353 L C 2.018 178.776 176.870 -0.186 0.000 1.119 353 L CA 0.538 55.268 54.840 -0.183 0.000 0.790 353 L CB -0.087 41.727 42.059 -0.410 0.000 0.919 353 L HN 0.415 nan 8.230 nan 0.000 0.443 354 L N -0.807 120.336 121.223 -0.134 0.000 2.591 354 L HA 0.049 4.369 4.340 -0.034 0.000 0.228 354 L C 0.432 177.272 176.870 -0.051 0.000 1.133 354 L CA -0.042 54.781 54.840 -0.028 0.000 0.880 354 L CB -0.297 41.849 42.059 0.145 0.000 1.033 354 L HN 0.119 nan 8.230 nan 0.000 0.450 355 D N 1.749 121.897 120.400 -0.420 0.000 2.347 355 D HA 0.120 4.740 4.640 -0.034 0.000 0.235 355 D C -1.591 174.478 176.300 -0.385 0.000 1.149 355 D CA -2.352 51.105 54.000 -0.905 0.000 0.850 355 D CB 1.523 41.535 40.800 -1.314 0.000 1.061 355 D HN -0.075 nan 8.370 nan 0.000 0.487 356 P HA -0.035 nan 4.420 nan 0.000 0.245 356 P C 0.774 177.974 177.300 -0.167 0.000 1.212 356 P CA 0.574 63.602 63.100 -0.120 0.000 0.774 356 P CB 0.002 31.724 31.700 0.036 0.000 0.999 357 T N -4.326 110.114 114.554 -0.189 0.000 3.122 357 T HA 0.173 4.502 4.350 -0.034 0.000 0.250 357 T C 0.672 175.280 174.700 -0.153 0.000 1.067 357 T CA -0.175 61.831 62.100 -0.156 0.000 0.966 357 T CB -0.170 68.650 68.868 -0.079 0.000 1.002 357 T HN -0.145 nan 8.240 nan 0.000 0.542 358 K N 2.211 122.423 120.400 -0.313 0.000 2.292 358 K HA 0.563 4.863 4.320 -0.034 0.000 0.257 358 K C -0.412 175.977 176.600 -0.351 0.000 0.940 358 K CA -0.860 55.105 56.287 -0.537 0.000 0.811 358 K CB 2.258 34.319 32.500 -0.731 0.000 1.120 358 K HN 0.302 nan 8.250 nan 0.000 0.428 359 L N -0.129 121.027 121.223 -0.112 0.000 2.387 359 L HA 0.656 4.975 4.340 -0.034 0.000 0.266 359 L C -0.126 176.577 176.870 -0.278 0.000 1.059 359 L CA -0.397 54.362 54.840 -0.136 0.000 0.801 359 L CB 0.410 42.472 42.059 0.005 0.000 1.223 359 L HN 0.469 nan 8.230 nan 0.000 0.456 360 I N 1.909 122.397 120.570 -0.137 0.000 2.330 360 I HA 0.372 4.521 4.170 -0.034 0.000 0.286 360 I C -2.126 174.020 176.117 0.047 0.000 1.025 360 I CA -1.753 59.513 61.300 -0.056 0.000 1.197 360 I CB 1.168 39.158 38.000 -0.016 0.000 1.358 360 I HN 0.476 nan 8.210 nan 0.000 0.467 361 P HA 0.032 nan 4.420 nan 0.000 0.264 361 P C 0.311 177.683 177.300 0.121 0.000 1.193 361 P CA 0.115 63.270 63.100 0.093 0.000 0.763 361 P CB 0.611 32.356 31.700 0.074 0.000 0.810 362 E N 1.752 122.028 120.200 0.127 0.000 2.268 362 E HA -0.188 4.142 4.350 -0.034 0.000 0.195 362 E C 1.404 178.060 176.600 0.092 0.000 0.995 362 E CA 0.763 57.225 56.400 0.102 0.000 0.836 362 E CB 0.009 29.770 29.700 0.101 0.000 0.763 362 E HN 0.506 nan 8.360 nan 0.000 0.491 363 E N 0.404 120.661 120.200 0.095 0.000 2.150 363 E HA -0.136 4.194 4.350 -0.034 0.000 0.193 363 E C 2.075 178.740 176.600 0.109 0.000 0.985 363 E CA 0.748 57.200 56.400 0.086 0.000 0.814 363 E CB 0.064 29.809 29.700 0.075 0.000 0.752 363 E HN 0.366 nan 8.360 nan 0.000 0.466 364 L N -0.260 121.052 121.223 0.149 0.000 2.168 364 L HA 0.038 4.358 4.340 -0.034 0.000 0.203 364 L C 0.612 177.605 176.870 0.205 0.000 1.078 364 L CA 0.481 55.446 54.840 0.209 0.000 0.780 364 L CB 0.382 42.646 42.059 0.342 0.000 0.939 364 L HN -0.193 nan 8.230 nan 0.000 0.451 365 V N 0.880 120.895 119.914 0.167 0.000 2.445 365 V HA 0.306 4.406 4.120 -0.034 0.000 0.283 365 V C -2.444 173.698 176.094 0.080 0.000 1.014 365 V CA -1.476 60.904 62.300 0.133 0.000 0.852 365 V CB 1.440 33.338 31.823 0.125 0.000 1.021 365 V HN -0.055 nan 8.190 nan 0.000 0.435 366 P HA 0.175 nan 4.420 nan 0.000 0.272 366 P C -0.277 177.021 177.300 -0.004 0.000 1.223 366 P CA -0.000 63.119 63.100 0.032 0.000 0.784 366 P CB 0.881 32.604 31.700 0.039 0.000 0.923 367 V N 3.109 122.989 119.914 -0.057 0.000 2.461 367 V HA 0.115 4.214 4.120 -0.034 0.000 0.275 367 V C 0.764 176.842 176.094 -0.027 0.000 1.047 367 V CA -0.015 62.215 62.300 -0.117 0.000 0.955 367 V CB 0.350 32.012 31.823 -0.269 0.000 0.988 367 V HN 0.522 nan 8.190 nan 0.000 0.471 368 Q N 5.648 125.451 119.800 0.005 0.000 2.322 368 Q HA 0.302 4.621 4.340 -0.034 0.000 0.256 368 Q C -0.153 175.831 176.000 -0.027 0.000 0.960 368 Q CA -0.681 55.129 55.803 0.012 0.000 0.934 368 Q CB 0.579 29.338 28.738 0.035 0.000 1.200 368 Q HN 0.646 nan 8.270 nan 0.000 0.435 369 R N 3.092 123.607 120.500 0.025 0.000 2.399 369 R HA 0.033 4.352 4.340 -0.034 0.000 0.324 369 R C 0.240 176.569 176.300 0.049 0.000 1.030 369 R CA -0.159 55.989 56.100 0.081 0.000 0.984 369 R CB 0.561 30.988 30.300 0.211 0.000 0.961 369 R HN 0.474 nan 8.270 nan 0.000 0.433 370 V N 1.825 121.627 119.914 -0.188 0.000 3.635 370 V HA 0.249 4.348 4.120 -0.034 0.000 0.266 370 V C 0.752 176.543 176.094 -0.504 0.000 1.316 370 V CA 1.046 63.148 62.300 -0.329 0.000 1.060 370 V CB 1.063 32.441 31.823 -0.741 0.000 0.820 370 V HN 1.025 nan 8.190 nan 0.000 0.447 371 G N -0.252 108.065 108.800 -0.807 0.000 2.451 371 G HA2 0.473 4.412 3.960 -0.034 0.000 0.292 371 G HA3 0.473 4.412 3.960 -0.034 0.000 0.292 371 G C -1.764 172.732 174.900 -0.674 0.000 1.427 371 G CA -0.598 43.857 45.100 -1.075 0.000 0.792 371 G HN 0.020 nan 8.290 nan 0.000 0.498 372 K N -0.449 119.650 120.400 -0.502 0.000 2.316 372 K HA 0.750 5.050 4.320 -0.034 0.000 0.251 372 K C -0.759 175.902 176.600 0.102 0.000 0.934 372 K CA -0.839 55.443 56.287 -0.009 0.000 0.802 372 K CB 2.049 34.609 32.500 0.099 0.000 1.171 372 K HN 0.625 nan 8.250 nan 0.000 0.426 373 M N 4.615 124.388 119.600 0.289 0.000 2.383 373 M HA 0.420 4.879 4.480 -0.034 0.000 0.325 373 M C -1.788 174.495 176.300 -0.028 0.000 1.092 373 M CA -0.752 54.646 55.300 0.164 0.000 0.961 373 M CB 1.788 34.495 32.600 0.178 0.000 1.672 373 M HN 0.370 nan 8.290 nan 0.000 0.438 374 V N 5.475 125.214 119.914 -0.292 0.000 2.487 374 V HA 0.469 4.569 4.120 -0.034 0.000 0.298 374 V C -0.947 175.022 176.094 -0.208 0.000 1.028 374 V CA -0.830 61.313 62.300 -0.263 0.000 0.860 374 V CB 1.755 33.303 31.823 -0.458 0.000 0.991 374 V HN 0.684 nan 8.190 nan 0.000 0.427 375 L N 5.764 126.940 121.223 -0.079 0.000 2.262 375 L HA 0.503 4.823 4.340 -0.034 0.000 0.288 375 L C 0.602 177.345 176.870 -0.211 0.000 1.035 375 L CA 0.122 54.912 54.840 -0.084 0.000 0.820 375 L CB 0.998 43.065 42.059 0.014 0.000 1.204 375 L HN 0.880 nan 8.230 nan 0.000 0.424 376 N N 2.331 120.815 118.700 -0.360 0.000 2.240 376 N HA 0.175 4.894 4.740 -0.034 0.000 0.240 376 N C -0.037 175.254 175.510 -0.366 0.000 1.277 376 N CA -0.310 52.254 53.050 -0.810 0.000 0.873 376 N CB 0.738 38.448 38.487 -1.295 0.000 1.222 376 N HN 0.413 nan 8.380 nan 0.000 0.507 377 R N 0.167 120.570 120.500 -0.162 0.000 2.563 377 R HA 0.275 4.595 4.340 -0.034 0.000 0.262 377 R C -1.267 174.979 176.300 -0.090 0.000 1.128 377 R CA -0.539 55.495 56.100 -0.110 0.000 0.969 377 R CB 1.200 31.451 30.300 -0.081 0.000 1.251 377 R HN 0.044 nan 8.270 nan 0.000 0.442 378 N N 2.908 121.437 118.700 -0.283 0.000 2.381 378 N HA 0.300 5.020 4.740 -0.034 0.000 0.254 378 N C -2.272 173.193 175.510 -0.075 0.000 1.264 378 N CA -1.123 51.631 53.050 -0.493 0.000 0.942 378 N CB 0.422 38.010 38.487 -1.497 0.000 1.190 378 N HN 0.326 nan 8.380 nan 0.000 0.495 379 P HA 0.182 nan 4.420 nan 0.000 0.277 379 P C 0.041 177.527 177.300 0.310 0.000 1.271 379 P CA -0.157 63.130 63.100 0.312 0.000 0.795 379 P CB 1.072 32.985 31.700 0.354 0.000 1.101 380 D N -1.114 119.443 120.400 0.262 0.000 2.269 380 D HA -0.009 4.610 4.640 -0.034 0.000 0.220 380 D C 0.392 176.862 176.300 0.283 0.000 0.962 380 D CA 1.331 55.477 54.000 0.243 0.000 0.884 380 D CB 0.179 41.066 40.800 0.145 0.000 1.023 380 D HN 0.368 nan 8.370 nan 0.000 0.484 381 N N -0.090 118.765 118.700 0.260 0.000 2.448 381 N HA 0.017 4.737 4.740 -0.034 0.000 0.279 381 N C 0.129 175.837 175.510 0.329 0.000 1.025 381 N CA -0.331 52.886 53.050 0.279 0.000 0.898 381 N CB 1.596 40.217 38.487 0.224 0.000 1.303 381 N HN -0.139 nan 8.380 nan 0.000 0.495 382 F N 4.418 124.513 119.950 0.241 0.000 2.065 382 F HA -0.209 4.297 4.527 -0.035 0.000 0.298 382 F C 1.700 177.629 175.800 0.214 0.000 1.112 382 F CA 1.601 59.745 58.000 0.241 0.000 1.212 382 F CB -0.135 38.984 39.000 0.198 0.000 0.975 382 F HN 0.605 nan 8.300 nan 0.000 0.476 383 F N 0.902 121.098 119.950 0.410 0.000 2.069 383 F HA -0.172 4.336 4.527 -0.032 0.000 0.298 383 F C 2.334 178.194 175.800 0.100 0.000 1.113 383 F CA 1.891 60.044 58.000 0.256 0.000 1.214 383 F CB -0.968 38.153 39.000 0.202 0.000 0.978 383 F HN 0.006 nan 8.300 nan 0.000 0.474 384 A N -0.400 122.562 122.820 0.236 0.000 1.933 384 A HA -0.169 4.130 4.320 -0.034 0.000 0.218 384 A C 2.056 179.567 177.584 -0.121 0.000 1.175 384 A CA 2.050 54.119 52.037 0.054 0.000 0.628 384 A CB -0.659 18.424 19.000 0.139 0.000 0.814 384 A HN 0.618 nan 8.150 nan 0.000 0.444 385 E N -1.426 118.715 120.200 -0.097 0.000 2.175 385 E HA -0.057 4.273 4.350 -0.034 0.000 0.195 385 E C 1.957 178.460 176.600 -0.161 0.000 0.934 385 E CA 0.470 56.745 56.400 -0.208 0.000 0.870 385 E CB -0.133 29.484 29.700 -0.138 0.000 0.838 385 E HN 0.570 nan 8.360 nan 0.000 0.474 386 N N 1.314 119.918 118.700 -0.161 0.000 2.197 386 N HA -0.152 4.567 4.740 -0.034 0.000 0.184 386 N C 1.808 177.150 175.510 -0.279 0.000 1.030 386 N CA 1.278 54.196 53.050 -0.219 0.000 0.851 386 N CB 0.130 38.155 38.487 -0.771 0.000 1.003 386 N HN -0.066 nan 8.380 nan 0.000 0.430 387 E N 0.920 120.897 120.200 -0.372 0.000 2.077 387 E HA -0.098 4.231 4.350 -0.034 0.000 0.193 387 E C 1.682 178.096 176.600 -0.310 0.000 0.989 387 E CA 1.492 57.742 56.400 -0.252 0.000 0.800 387 E CB -0.197 29.385 29.700 -0.196 0.000 0.746 387 E HN 0.489 nan 8.360 nan 0.000 0.452 388 Q N -0.285 119.255 119.800 -0.433 0.000 2.444 388 Q HA 0.209 4.528 4.340 -0.034 0.000 0.206 388 Q C 0.015 175.889 176.000 -0.210 0.000 0.948 388 Q CA 0.251 55.853 55.803 -0.335 0.000 0.946 388 Q CB 0.353 28.866 28.738 -0.374 0.000 1.027 388 Q HN 0.210 nan 8.270 nan 0.000 0.513 389 A N 1.133 123.849 122.820 -0.174 0.000 2.462 389 A HA 0.462 4.762 4.320 -0.034 0.000 0.243 389 A C -0.148 177.305 177.584 -0.217 0.000 1.076 389 A CA 0.144 52.052 52.037 -0.215 0.000 0.773 389 A CB 0.294 19.218 19.000 -0.128 0.000 1.010 389 A HN 0.262 nan 8.150 nan 0.000 0.493 390 A N 2.477 125.113 122.820 -0.307 0.000 2.363 390 A HA 0.677 4.977 4.320 -0.034 0.000 0.296 390 A C -0.720 176.740 177.584 -0.206 0.000 1.237 390 A CA -0.446 51.477 52.037 -0.190 0.000 0.773 390 A CB 0.172 19.062 19.000 -0.183 0.000 1.153 390 A HN 0.638 nan 8.150 nan 0.000 0.473 391 F N 1.747 121.680 119.950 -0.029 0.000 2.425 391 F HA 0.613 5.114 4.527 -0.042 0.000 0.331 391 F C 0.518 176.255 175.800 -0.105 0.000 1.085 391 F CA -0.241 57.728 58.000 -0.052 0.000 1.028 391 F CB 1.535 40.459 39.000 -0.125 0.000 1.177 391 F HN 0.643 nan 8.300 nan 0.000 0.487 392 H N 3.859 122.778 119.070 -0.251 0.000 3.017 392 H HA 0.283 4.835 4.556 -0.007 0.000 0.340 392 H C -2.334 172.640 175.328 -0.589 0.000 1.014 392 H CA -2.852 52.788 56.048 -0.679 0.000 1.341 392 H CB 2.644 31.785 29.762 -1.035 0.000 1.739 392 H HN 0.185 nan 8.280 nan 0.000 0.506 393 P HA -0.045 nan 4.420 nan 0.000 0.222 393 P C 1.162 178.419 177.300 -0.071 0.000 1.147 393 P CA 1.312 64.301 63.100 -0.185 0.000 0.790 393 P CB 0.124 31.740 31.700 -0.140 0.000 0.780 394 G N -1.375 107.115 108.800 -0.516 0.000 2.650 394 G HA2 -0.124 3.815 3.960 -0.034 0.000 0.214 394 G HA3 -0.124 3.815 3.960 -0.034 0.000 0.214 394 G C 0.391 175.164 174.900 -0.211 0.000 1.136 394 G CA -0.038 44.771 45.100 -0.485 0.000 0.789 394 G HN 0.409 nan 8.290 nan 0.000 0.536 395 H N 0.908 119.827 119.070 -0.252 0.000 3.224 395 H HA 0.334 4.876 4.556 -0.024 0.000 0.265 395 H C 0.541 175.906 175.328 0.063 0.000 1.461 395 H CA -0.701 55.292 56.048 -0.090 0.000 1.509 395 H CB -0.026 29.698 29.762 -0.063 0.000 1.686 395 H HN 0.357 nan 8.280 nan 0.000 0.514 396 I N -0.055 120.591 120.570 0.127 0.000 3.100 396 I HA 0.690 4.839 4.170 -0.034 0.000 0.312 396 I C -0.176 175.927 176.117 -0.023 0.000 1.063 396 I CA -1.438 59.893 61.300 0.052 0.000 1.031 396 I CB 1.898 39.821 38.000 -0.128 0.000 1.243 396 I HN 0.139 nan 8.210 nan 0.000 0.483 397 V N -2.131 117.759 119.914 -0.041 0.000 3.102 397 V HA 0.660 4.759 4.120 -0.034 0.000 0.312 397 V C -2.825 173.367 176.094 0.164 0.000 1.135 397 V CA -2.604 59.734 62.300 0.065 0.000 1.022 397 V CB 0.996 32.842 31.823 0.038 0.000 1.056 397 V HN 0.624 nan 8.190 nan 0.000 0.436 398 P HA 0.335 nan 4.420 nan 0.000 0.261 398 P C 0.920 178.205 177.300 -0.025 0.000 1.183 398 P CA 1.961 65.110 63.100 0.081 0.000 0.761 398 P CB 0.522 32.250 31.700 0.046 0.000 0.785 399 G N 2.009 110.747 108.800 -0.104 0.000 2.316 399 G HA2 -0.143 3.797 3.960 -0.034 0.000 0.203 399 G HA3 -0.143 3.797 3.960 -0.034 0.000 0.203 399 G C -0.298 174.505 174.900 -0.161 0.000 0.999 399 G CA -0.425 44.598 45.100 -0.129 0.000 0.649 399 G HN 0.453 nan 8.290 nan 0.000 0.489 400 L N 0.332 121.469 121.223 -0.144 0.000 2.319 400 L HA 0.922 5.242 4.340 -0.034 0.000 0.267 400 L C -0.588 176.220 176.870 -0.103 0.000 1.011 400 L CA -1.038 53.705 54.840 -0.162 0.000 0.818 400 L CB 2.023 43.919 42.059 -0.271 0.000 1.316 400 L HN 0.117 nan 8.230 nan 0.000 0.432 401 D N -0.546 119.782 120.400 -0.120 0.000 2.665 401 D HA 0.452 5.071 4.640 -0.034 0.000 0.287 401 D C -1.100 175.116 176.300 -0.140 0.000 1.266 401 D CA -0.378 53.507 54.000 -0.191 0.000 0.830 401 D CB 1.907 42.672 40.800 -0.057 0.000 1.356 401 D HN 0.133 nan 8.370 nan 0.000 0.437 402 F N -0.120 119.959 119.950 0.215 0.000 2.291 402 F HA 0.502 5.018 4.527 -0.019 0.000 0.305 402 F C 1.564 177.397 175.800 0.055 0.000 1.171 402 F CA -0.171 57.891 58.000 0.103 0.000 1.090 402 F CB 0.757 39.780 39.000 0.039 0.000 1.436 402 F HN 0.224 nan 8.300 nan 0.000 0.509 403 T N -3.347 111.312 114.554 0.174 0.000 2.716 403 T HA 0.306 4.636 4.350 -0.034 0.000 0.286 403 T C -0.034 174.702 174.700 0.059 0.000 1.052 403 T CA -0.975 61.198 62.100 0.121 0.000 1.024 403 T CB 1.179 70.083 68.868 0.059 0.000 1.349 403 T HN 0.333 nan 8.240 nan 0.000 0.525 404 N N 1.141 119.875 118.700 0.055 0.000 2.461 404 N HA 0.052 4.772 4.740 -0.034 0.000 0.188 404 N C 0.104 175.618 175.510 0.007 0.000 1.134 404 N CA 0.141 53.209 53.050 0.030 0.000 0.878 404 N CB -0.472 38.048 38.487 0.055 0.000 0.972 404 N HN 0.707 nan 8.380 nan 0.000 0.456 405 D N 2.227 122.616 120.400 -0.017 0.000 2.662 405 D HA -0.080 4.539 4.640 -0.034 0.000 0.237 405 D C -1.421 174.872 176.300 -0.011 0.000 1.154 405 D CA -0.960 53.053 54.000 0.021 0.000 0.861 405 D CB 1.205 41.974 40.800 -0.052 0.000 1.146 405 D HN 0.141 nan 8.370 nan 0.000 0.518 406 P HA -0.111 nan 4.420 nan 0.000 0.226 406 P C 1.490 178.813 177.300 0.039 0.000 1.153 406 P CA 0.201 63.322 63.100 0.034 0.000 0.777 406 P CB 0.369 32.087 31.700 0.030 0.000 0.794 407 L N -0.540 120.724 121.223 0.069 0.000 2.102 407 L HA 0.030 4.349 4.340 -0.034 0.000 0.202 407 L C 2.327 179.144 176.870 -0.088 0.000 1.076 407 L CA 1.230 56.115 54.840 0.074 0.000 0.761 407 L CB -1.533 40.658 42.059 0.221 0.000 0.921 407 L HN -0.172 nan 8.230 nan 0.000 0.444 408 L N -0.565 120.441 121.223 -0.362 0.000 2.046 408 L HA -0.208 4.111 4.340 -0.034 0.000 0.208 408 L C 2.444 179.093 176.870 -0.369 0.000 1.077 408 L CA 1.776 56.196 54.840 -0.701 0.000 0.747 408 L CB -0.911 40.469 42.059 -1.132 0.000 0.896 408 L HN 0.360 nan 8.230 nan 0.000 0.432 409 Q N -0.163 119.484 119.800 -0.256 0.000 2.096 409 Q HA -0.167 4.153 4.340 -0.034 0.000 0.204 409 Q C 2.096 178.026 176.000 -0.117 0.000 0.982 409 Q CA 1.811 57.501 55.803 -0.189 0.000 0.850 409 Q CB -0.780 27.891 28.738 -0.111 0.000 0.901 409 Q HN 0.710 nan 8.270 nan 0.000 0.422 410 G N 0.555 109.317 108.800 -0.063 0.000 2.403 410 G HA2 -0.214 3.726 3.960 -0.034 0.000 0.216 410 G HA3 -0.214 3.726 3.960 -0.034 0.000 0.216 410 G C 1.495 176.419 174.900 0.041 0.000 1.154 410 G CA 0.206 45.311 45.100 0.007 0.000 0.784 410 G HN 0.254 nan 8.290 nan 0.000 0.538 411 R N -0.028 120.460 120.500 -0.021 0.000 2.139 411 R HA -0.028 4.292 4.340 -0.034 0.000 0.243 411 R C 2.475 178.879 176.300 0.174 0.000 1.145 411 R CA 0.971 57.123 56.100 0.087 0.000 0.976 411 R CB -0.479 29.856 30.300 0.058 0.000 0.866 411 R HN 0.361 nan 8.270 nan 0.000 0.449 412 L N -0.617 120.621 121.223 0.026 0.000 2.131 412 L HA -0.173 4.146 4.340 -0.034 0.000 0.210 412 L C 2.239 179.228 176.870 0.199 0.000 1.092 412 L CA 1.034 55.898 54.840 0.039 0.000 0.759 412 L CB -0.424 41.467 42.059 -0.280 0.000 0.903 412 L HN 0.154 nan 8.230 nan 0.000 0.435 413 F N 0.007 119.975 119.950 0.029 0.000 2.187 413 F HA -0.131 4.352 4.527 -0.074 0.000 0.295 413 F C 2.747 178.547 175.800 0.001 0.000 1.091 413 F CA 1.369 59.384 58.000 0.026 0.000 1.308 413 F CB -0.164 38.834 39.000 -0.002 0.000 1.030 413 F HN -0.056 nan 8.300 nan 0.000 0.487 414 S N -0.580 115.050 115.700 -0.117 0.000 2.355 414 S HA -0.209 4.241 4.470 -0.034 0.000 0.222 414 S C 2.078 176.418 174.600 -0.433 0.000 1.031 414 S CA 1.505 59.527 58.200 -0.297 0.000 0.993 414 S CB -0.817 62.276 63.200 -0.178 0.000 0.859 414 S HN 0.535 nan 8.310 nan 0.000 0.453 415 Y N 1.720 121.671 120.300 -0.582 0.000 2.181 415 Y HA -0.097 4.456 4.550 0.005 0.000 0.288 415 Y C 3.028 178.476 175.900 -0.754 0.000 1.146 415 Y CA 1.622 59.269 58.100 -0.755 0.000 1.164 415 Y CB -0.942 36.836 38.460 -1.136 0.000 0.982 415 Y HN 0.276 nan 8.280 nan 0.000 0.515 416 T N -0.657 113.556 114.554 -0.568 0.000 2.746 416 T HA -0.211 4.119 4.350 -0.034 0.000 0.267 416 T C 1.403 175.927 174.700 -0.292 0.000 1.039 416 T CA 1.679 63.611 62.100 -0.281 0.000 1.142 416 T CB -0.447 68.389 68.868 -0.052 0.000 0.866 416 T HN 0.373 nan 8.240 nan 0.000 0.444 417 D N 0.558 120.702 120.400 -0.427 0.000 2.097 417 D HA -0.103 4.517 4.640 -0.034 0.000 0.197 417 D C 2.305 178.447 176.300 -0.264 0.000 0.984 417 D CA 1.458 55.228 54.000 -0.382 0.000 0.826 417 D CB -0.439 39.964 40.800 -0.662 0.000 0.973 417 D HN 0.235 nan 8.370 nan 0.000 0.460 418 T N -1.055 113.323 114.554 -0.294 0.000 2.867 418 T HA -0.127 4.203 4.350 -0.034 0.000 0.268 418 T C 1.806 176.376 174.700 -0.216 0.000 1.057 418 T CA 1.298 63.265 62.100 -0.223 0.000 1.136 418 T CB -0.199 68.523 68.868 -0.243 0.000 0.874 418 T HN 0.213 nan 8.240 nan 0.000 0.466 419 Q N -0.140 119.475 119.800 -0.309 0.000 2.291 419 Q HA 0.000 4.320 4.340 -0.034 0.000 0.205 419 Q C 2.073 177.939 176.000 -0.224 0.000 0.970 419 Q CA 0.749 56.317 55.803 -0.392 0.000 0.876 419 Q CB -0.044 28.191 28.738 -0.838 0.000 0.935 419 Q HN 0.434 nan 8.270 nan 0.000 0.455 420 I N 0.378 120.881 120.570 -0.111 0.000 2.226 420 I HA -0.237 3.912 4.170 -0.034 0.000 0.245 420 I C 2.371 178.493 176.117 0.009 0.000 1.100 420 I CA 1.699 63.011 61.300 0.020 0.000 1.374 420 I CB -1.195 36.820 38.000 0.026 0.000 1.057 420 I HN 0.203 nan 8.210 nan 0.000 0.413 421 S N -0.026 115.658 115.700 -0.027 0.000 2.441 421 S HA -0.054 4.396 4.470 -0.034 0.000 0.224 421 S C 2.152 176.741 174.600 -0.017 0.000 1.043 421 S CA 0.136 58.330 58.200 -0.010 0.000 0.948 421 S CB -0.348 62.846 63.200 -0.010 0.000 0.810 421 S HN 0.324 nan 8.310 nan 0.000 0.504 422 R N 1.124 121.593 120.500 -0.051 0.000 2.091 422 R HA 0.102 4.421 4.340 -0.034 0.000 0.238 422 R C 1.161 177.442 176.300 -0.032 0.000 1.136 422 R CA 1.505 57.577 56.100 -0.047 0.000 0.959 422 R CB -0.304 29.947 30.300 -0.081 0.000 0.856 422 R HN 0.465 nan 8.270 nan 0.000 0.437 423 L N -0.309 120.892 121.223 -0.037 0.000 2.872 423 L HA 0.342 4.661 4.340 -0.034 0.000 0.245 423 L C 0.714 177.612 176.870 0.046 0.000 1.211 423 L CA 0.185 55.025 54.840 0.001 0.000 1.013 423 L CB 1.052 43.114 42.059 0.005 0.000 1.326 423 L HN 0.545 nan 8.230 nan 0.000 0.525 424 G N 0.100 108.925 108.800 0.041 0.000 2.153 424 G HA2 -0.117 3.823 3.960 -0.034 0.000 0.252 424 G HA3 -0.117 3.823 3.960 -0.034 0.000 0.252 424 G C 0.440 175.388 174.900 0.079 0.000 0.994 424 G CA 0.141 45.272 45.100 0.051 0.000 0.698 424 G HN 0.806 nan 8.290 nan 0.000 0.521 425 G N -1.866 107.004 108.800 0.117 0.000 2.337 425 G HA2 0.612 4.552 3.960 -0.034 0.000 0.298 425 G HA3 0.612 4.552 3.960 -0.034 0.000 0.298 425 G C -2.221 172.812 174.900 0.223 0.000 1.335 425 G CA 0.305 45.484 45.100 0.133 0.000 0.875 425 G HN 0.433 nan 8.290 nan 0.000 0.579 426 P HA 0.137 nan 4.420 nan 0.000 0.255 426 P C 0.163 177.447 177.300 -0.026 0.000 1.248 426 P CA 0.259 63.448 63.100 0.149 0.000 0.807 426 P CB 0.276 32.037 31.700 0.102 0.000 1.150 427 N N 0.481 119.165 118.700 -0.028 0.000 2.376 427 N HA 0.080 4.800 4.740 -0.034 0.000 0.249 427 N C 0.957 176.271 175.510 -0.327 0.000 1.140 427 N CA -0.213 52.712 53.050 -0.208 0.000 0.870 427 N CB -0.514 37.902 38.487 -0.119 0.000 1.124 427 N HN 0.251 nan 8.380 nan 0.000 0.505 428 F N 0.525 120.470 119.950 -0.009 0.000 2.451 428 F HA -0.050 4.467 4.527 -0.016 0.000 0.299 428 F C 2.204 177.950 175.800 -0.089 0.000 1.101 428 F CA 0.664 58.631 58.000 -0.056 0.000 1.436 428 F CB -0.726 38.262 39.000 -0.020 0.000 1.074 428 F HN 0.177 nan 8.300 nan 0.000 0.553 429 H N 0.415 119.147 119.070 -0.564 0.000 2.546 429 H HA 0.099 4.633 4.556 -0.037 0.000 0.277 429 H C 0.763 175.955 175.328 -0.227 0.000 1.004 429 H CA 1.193 57.025 56.048 -0.360 0.000 1.231 429 H CB -0.679 28.740 29.762 -0.572 0.000 1.382 429 H HN 0.518 nan 8.280 nan 0.000 0.580 430 E N 0.992 120.769 120.200 -0.705 0.000 2.489 430 E HA 0.180 4.510 4.350 -0.034 0.000 0.193 430 E C 0.249 176.743 176.600 -0.176 0.000 1.057 430 E CA -0.250 55.918 56.400 -0.387 0.000 0.866 430 E CB 0.523 30.004 29.700 -0.365 0.000 0.916 430 E HN 0.453 nan 8.360 nan 0.000 0.500 431 I N 2.437 122.922 120.570 -0.141 0.000 2.556 431 I HA -0.015 4.135 4.170 -0.034 0.000 0.284 431 I C -1.552 174.511 176.117 -0.091 0.000 1.114 431 I CA -1.739 59.507 61.300 -0.091 0.000 1.418 431 I CB 0.747 38.704 38.000 -0.071 0.000 1.394 431 I HN -0.204 nan 8.210 nan 0.000 0.552 432 P HA -0.241 nan 4.420 nan 0.000 0.216 432 P C 1.692 178.919 177.300 -0.122 0.000 1.157 432 P CA 1.259 64.304 63.100 -0.091 0.000 0.880 432 P CB 0.188 31.842 31.700 -0.077 0.000 0.791 433 I N -0.681 119.790 120.570 -0.166 0.000 2.361 433 I HA -0.171 3.978 4.170 -0.034 0.000 0.251 433 I C 1.371 177.408 176.117 -0.133 0.000 1.133 433 I CA 1.645 62.795 61.300 -0.250 0.000 1.413 433 I CB -0.808 36.934 38.000 -0.431 0.000 1.073 433 I HN -0.123 nan 8.210 nan 0.000 0.424 434 N N 0.641 119.285 118.700 -0.093 0.000 2.446 434 N HA 0.016 4.735 4.740 -0.034 0.000 0.179 434 N C 0.401 175.930 175.510 0.031 0.000 1.054 434 N CA 0.242 53.274 53.050 -0.030 0.000 0.905 434 N CB -0.167 38.324 38.487 0.007 0.000 0.973 434 N HN 0.368 nan 8.380 nan 0.000 0.448 435 R N 1.649 122.155 120.500 0.009 0.000 2.570 435 R HA 0.110 4.430 4.340 -0.034 0.000 0.277 435 R C -2.133 174.228 176.300 0.102 0.000 1.039 435 R CA -1.088 55.025 56.100 0.021 0.000 1.065 435 R CB -0.155 30.141 30.300 -0.007 0.000 0.964 435 R HN 0.071 nan 8.270 nan 0.000 0.428 436 P HA -0.024 nan 4.420 nan 0.000 0.271 436 P C 0.490 177.860 177.300 0.117 0.000 1.233 436 P CA 0.048 63.227 63.100 0.132 0.000 0.789 436 P CB 0.565 32.304 31.700 0.066 0.000 0.951 437 T N -3.569 111.060 114.554 0.126 0.000 3.022 437 T HA 0.101 4.431 4.350 -0.034 0.000 0.250 437 T C 0.868 175.610 174.700 0.069 0.000 1.060 437 T CA -0.056 62.076 62.100 0.053 0.000 1.013 437 T CB -1.031 67.846 68.868 0.015 0.000 0.982 437 T HN 0.592 nan 8.240 nan 0.000 0.508 438 C N 1.364 120.721 119.300 0.095 0.000 2.362 438 C HA 0.765 5.205 4.460 -0.034 0.000 0.363 438 C C -2.423 172.630 174.990 0.105 0.000 1.220 438 C CA -2.554 56.521 59.018 0.094 0.000 2.379 438 C CB 0.063 27.864 27.740 0.102 0.000 2.351 438 C HN 0.162 nan 8.230 nan 0.000 0.582 439 P HA 0.242 nan 4.420 nan 0.000 0.266 439 P C -1.163 176.230 177.300 0.154 0.000 1.195 439 P CA 0.539 63.719 63.100 0.133 0.000 0.768 439 P CB -0.083 31.732 31.700 0.192 0.000 0.838 440 Y N 0.618 120.844 120.300 -0.123 0.000 2.361 440 Y HA 0.651 5.183 4.550 -0.029 0.000 0.328 440 Y C -1.424 174.225 175.900 -0.419 0.000 1.044 440 Y CA -0.961 57.047 58.100 -0.152 0.000 1.085 440 Y CB 1.313 39.693 38.460 -0.135 0.000 1.194 440 Y HN 0.415 nan 8.280 nan 0.000 0.438 441 H N 3.807 122.817 119.070 -0.099 0.000 2.856 441 H HA 0.551 5.087 4.556 -0.033 0.000 0.355 441 H C -1.123 174.116 175.328 -0.148 0.000 1.079 441 H CA -0.779 55.124 56.048 -0.242 0.000 1.240 441 H CB 1.707 31.343 29.762 -0.210 0.000 1.701 441 H HN 0.894 nan 8.280 nan 0.000 0.527 442 N N 0.355 118.974 118.700 -0.134 0.000 3.449 442 N HA 0.215 4.934 4.740 -0.034 0.000 0.312 442 N C -1.097 174.180 175.510 -0.388 0.000 1.582 442 N CA -0.889 52.046 53.050 -0.191 0.000 0.850 442 N CB 0.776 39.290 38.487 0.045 0.000 1.822 442 N HN 0.292 nan 8.380 nan 0.000 0.577 443 F N -0.389 119.611 119.950 0.082 0.000 2.639 443 F HA 0.365 4.871 4.527 -0.036 0.000 0.302 443 F C 0.364 176.212 175.800 0.082 0.000 1.097 443 F CA -0.348 57.696 58.000 0.073 0.000 1.294 443 F CB 0.235 39.275 39.000 0.065 0.000 1.027 443 F HN 0.138 nan 8.300 nan 0.000 0.550 444 Q N 1.690 121.600 119.800 0.184 0.000 2.332 444 Q HA 0.357 4.677 4.340 -0.034 0.000 0.263 444 Q C 0.076 176.154 176.000 0.129 0.000 0.979 444 Q CA 0.107 55.998 55.803 0.145 0.000 0.885 444 Q CB 0.984 29.785 28.738 0.105 0.000 1.218 444 Q HN 0.099 nan 8.270 nan 0.000 0.405 445 R N 1.567 122.137 120.500 0.116 0.000 2.817 445 R HA 0.356 4.676 4.340 -0.034 0.000 0.268 445 R C -0.566 175.782 176.300 0.081 0.000 1.027 445 R CA -0.680 55.478 56.100 0.098 0.000 0.928 445 R CB 0.969 31.329 30.300 0.100 0.000 1.228 445 R HN 0.708 nan 8.270 nan 0.000 0.469 446 D N -0.192 120.247 120.400 0.065 0.000 3.395 446 D HA -0.180 4.439 4.640 -0.034 0.000 0.238 446 D C 0.356 176.689 176.300 0.055 0.000 1.741 446 D CA 2.067 56.098 54.000 0.052 0.000 1.135 446 D CB -1.027 39.803 40.800 0.049 0.000 0.767 446 D HN 0.895 nan 8.370 nan 0.000 0.934 447 G N -1.416 107.415 108.800 0.051 0.000 2.719 447 G HA2 0.227 4.166 3.960 -0.034 0.000 0.686 447 G HA3 0.227 4.166 3.960 -0.034 0.000 0.686 447 G C -0.230 174.703 174.900 0.055 0.000 1.201 447 G CA 0.028 45.162 45.100 0.057 0.000 0.768 447 G HN 0.820 nan 8.290 nan 0.000 0.629 448 M N 1.355 120.995 119.600 0.066 0.000 2.245 448 M HA 0.403 4.863 4.480 -0.034 0.000 0.335 448 M C 1.108 177.483 176.300 0.125 0.000 1.155 448 M CA 1.386 56.734 55.300 0.080 0.000 1.055 448 M CB -0.560 32.092 32.600 0.086 0.000 1.670 448 M HN 1.576 nan 8.290 nan 0.000 0.447 449 H N 0.854 119.928 119.070 0.007 0.000 2.677 449 H HA -0.181 4.354 4.556 -0.034 0.000 0.321 449 H C -0.733 174.584 175.328 -0.019 0.000 1.171 449 H CA 0.852 56.899 56.048 -0.002 0.000 1.139 449 H CB -0.696 29.067 29.762 0.001 0.000 1.515 449 H HN 0.621 nan 8.280 nan 0.000 0.423 450 R N 1.404 121.908 120.500 0.007 0.000 2.316 450 R HA 0.086 4.406 4.340 -0.034 0.000 0.314 450 R C 0.919 177.199 176.300 -0.032 0.000 1.069 450 R CA -0.045 56.055 56.100 -0.001 0.000 0.959 450 R CB 0.281 30.584 30.300 0.005 0.000 0.987 450 R HN 0.351 nan 8.270 nan 0.000 0.446 451 M N 2.579 122.173 119.600 -0.009 0.000 2.398 451 M HA 0.218 4.678 4.480 -0.034 0.000 0.261 451 M C 0.972 177.262 176.300 -0.016 0.000 1.125 451 M CA 1.054 56.346 55.300 -0.013 0.000 1.183 451 M CB -1.010 31.595 32.600 0.008 0.000 1.322 451 M HN 0.704 nan 8.290 nan 0.000 0.467 452 G N 2.315 111.113 108.800 -0.004 0.000 2.272 452 G HA2 0.316 4.256 3.960 -0.034 0.000 0.247 452 G HA3 0.316 4.256 3.960 -0.034 0.000 0.247 452 G C -0.262 174.629 174.900 -0.015 0.000 1.272 452 G CA -0.285 44.809 45.100 -0.010 0.000 0.921 452 G HN 0.348 nan 8.290 nan 0.000 0.495 453 I N 3.150 123.704 120.570 -0.026 0.000 2.307 453 I HA 0.102 4.252 4.170 -0.034 0.000 0.287 453 I C -0.245 175.858 176.117 -0.023 0.000 1.054 453 I CA -0.573 60.716 61.300 -0.019 0.000 1.218 453 I CB 0.882 38.871 38.000 -0.019 0.000 1.398 453 I HN 0.372 nan 8.210 nan 0.000 0.475 454 D N 4.819 125.210 120.400 -0.014 0.000 2.351 454 D HA 0.069 4.689 4.640 -0.034 0.000 0.251 454 D C 1.172 177.472 176.300 0.000 0.000 1.137 454 D CA 0.272 54.263 54.000 -0.015 0.000 0.879 454 D CB 1.859 42.658 40.800 -0.001 0.000 1.181 454 D HN 0.563 nan 8.370 nan 0.000 0.448 455 T N -1.064 113.488 114.554 -0.004 0.000 3.069 455 T HA -0.049 4.281 4.350 -0.034 0.000 0.252 455 T C 0.828 175.539 174.700 0.018 0.000 1.053 455 T CA -0.571 61.532 62.100 0.005 0.000 0.964 455 T CB 0.181 69.045 68.868 -0.006 0.000 1.005 455 T HN 0.130 nan 8.240 nan 0.000 0.532 456 N N 3.401 122.113 118.700 0.020 0.000 2.412 456 N HA 0.078 4.798 4.740 -0.034 0.000 0.258 456 N C -1.665 173.888 175.510 0.071 0.000 1.236 456 N CA -1.461 51.614 53.050 0.042 0.000 0.882 456 N CB 1.437 39.947 38.487 0.038 0.000 1.066 456 N HN 0.053 nan 8.380 nan 0.000 0.465 457 P HA 0.018 nan 4.420 nan 0.000 0.220 457 P C -0.565 176.807 177.300 0.121 0.000 1.148 457 P CA 0.878 64.029 63.100 0.086 0.000 0.803 457 P CB 0.239 31.984 31.700 0.074 0.000 0.782 458 A N 0.569 123.458 122.820 0.116 0.000 2.325 458 A HA 0.466 4.766 4.320 -0.034 0.000 0.333 458 A C 0.392 178.125 177.584 0.248 0.000 1.155 458 A CA -0.662 51.429 52.037 0.089 0.000 0.814 458 A CB 0.237 19.107 19.000 -0.217 0.000 1.206 458 A HN 0.248 nan 8.150 nan 0.000 0.482 459 N N -0.306 118.591 118.700 0.328 0.000 2.291 459 N HA 0.344 5.063 4.740 -0.034 0.000 0.244 459 N C -0.742 174.988 175.510 0.366 0.000 1.216 459 N CA -0.351 52.956 53.050 0.427 0.000 0.879 459 N CB 0.337 39.002 38.487 0.296 0.000 1.167 459 N HN 0.700 nan 8.380 nan 0.000 0.515 460 Y N -0.832 119.382 120.300 -0.144 0.000 2.655 460 Y HA 0.722 5.251 4.550 -0.035 0.000 0.336 460 Y C -1.463 173.820 175.900 -1.029 0.000 1.154 460 Y CA -1.375 56.432 58.100 -0.488 0.000 1.055 460 Y CB 1.063 39.400 38.460 -0.205 0.000 1.295 460 Y HN 0.055 nan 8.280 nan 0.000 0.465 461 E N 0.229 119.939 120.200 -0.817 0.000 2.366 461 E HA 0.608 4.937 4.350 -0.034 0.000 0.278 461 E C -3.229 173.244 176.600 -0.212 0.000 0.923 461 E CA -2.046 53.961 56.400 -0.655 0.000 0.761 461 E CB 1.488 30.734 29.700 -0.756 0.000 1.231 461 E HN 0.539 nan 8.360 nan 0.000 0.443 462 P HA 0.269 nan 4.420 nan 0.000 0.275 462 P C -1.222 175.999 177.300 -0.131 0.000 1.227 462 P CA -0.351 62.665 63.100 -0.140 0.000 0.781 462 P CB 0.403 32.063 31.700 -0.067 0.000 0.906 463 N N -1.228 117.318 118.700 -0.256 0.000 2.312 463 N HA 0.403 5.123 4.740 -0.034 0.000 0.296 463 N C 0.279 175.727 175.510 -0.103 0.000 1.193 463 N CA -0.773 52.128 53.050 -0.249 0.000 0.773 463 N CB 1.442 39.502 38.487 -0.711 0.000 1.435 463 N HN 0.191 nan 8.380 nan 0.000 0.484 464 S N 0.169 115.859 115.700 -0.017 0.000 2.505 464 S HA 0.019 4.469 4.470 -0.034 0.000 0.216 464 S C 1.494 176.104 174.600 0.018 0.000 1.018 464 S CA -0.111 58.088 58.200 -0.002 0.000 0.911 464 S CB -0.787 62.425 63.200 0.019 0.000 0.818 464 S HN 0.706 nan 8.310 nan 0.000 0.497 465 I N -0.684 119.903 120.570 0.029 0.000 2.830 465 I HA 0.241 4.390 4.170 -0.034 0.000 0.263 465 I C 1.287 177.437 176.117 0.055 0.000 1.230 465 I CA 1.241 62.572 61.300 0.052 0.000 1.480 465 I CB -0.332 37.719 38.000 0.086 0.000 1.095 465 I HN 0.198 nan 8.210 nan 0.000 0.455 466 N N 0.978 119.709 118.700 0.052 0.000 2.299 466 N HA 0.044 4.763 4.740 -0.034 0.000 0.246 466 N C -0.120 175.504 175.510 0.190 0.000 1.254 466 N CA -0.028 53.093 53.050 0.119 0.000 0.879 466 N CB 0.036 38.607 38.487 0.140 0.000 1.214 466 N HN 0.198 nan 8.380 nan 0.000 0.510 467 D N 0.680 121.140 120.400 0.100 0.000 2.837 467 D HA -0.250 4.370 4.640 -0.034 0.000 0.230 467 D C -0.074 176.129 176.300 -0.161 0.000 1.152 467 D CA 1.065 55.090 54.000 0.041 0.000 0.736 467 D CB -1.320 39.594 40.800 0.190 0.000 1.084 467 D HN 0.481 nan 8.370 nan 0.000 0.429 468 N N -1.785 116.839 118.700 -0.126 0.000 2.828 468 N HA -0.244 4.476 4.740 -0.034 0.000 0.248 468 N C -0.727 174.694 175.510 -0.149 0.000 1.044 468 N CA 1.385 54.326 53.050 -0.183 0.000 0.851 468 N CB -1.346 36.985 38.487 -0.259 0.000 1.136 468 N HN 0.534 nan 8.380 nan 0.000 0.572 469 W N 1.266 122.614 121.300 0.080 0.000 2.313 469 W HA 0.423 5.062 4.660 -0.035 0.000 0.328 469 W C -1.580 174.971 176.519 0.053 0.000 1.197 469 W CA -1.579 55.796 57.345 0.050 0.000 1.235 469 W CB 0.431 29.874 29.460 -0.028 0.000 1.158 469 W HN -0.033 nan 8.180 nan 0.000 0.578 470 P HA 0.116 nan 4.420 nan 0.000 0.271 470 P C -0.704 176.730 177.300 0.224 0.000 1.218 470 P CA 0.076 63.317 63.100 0.235 0.000 0.780 470 P CB 0.842 32.543 31.700 0.001 0.000 0.901 471 R N 1.303 121.915 120.500 0.188 0.000 2.604 471 R HA 0.313 4.633 4.340 -0.034 0.000 0.287 471 R C 0.405 176.728 176.300 0.039 0.000 0.970 471 R CA -0.854 55.220 56.100 -0.043 0.000 0.946 471 R CB 1.108 31.148 30.300 -0.433 0.000 1.127 471 R HN 0.491 nan 8.270 nan 0.000 0.473 472 E N 0.743 120.958 120.200 0.024 0.000 2.458 472 E HA -0.021 4.308 4.350 -0.034 0.000 0.264 472 E C -0.534 176.085 176.600 0.032 0.000 1.097 472 E CA 0.847 57.273 56.400 0.043 0.000 0.973 472 E CB 0.555 30.270 29.700 0.025 0.000 0.963 472 E HN 0.377 nan 8.360 nan 0.000 0.451 473 T N 3.356 117.940 114.554 0.051 0.000 2.879 473 T HA 0.325 4.655 4.350 -0.034 0.000 0.290 473 T C -2.490 172.232 174.700 0.036 0.000 0.993 473 T CA -1.542 60.586 62.100 0.046 0.000 0.975 473 T CB 1.497 70.405 68.868 0.066 0.000 0.981 473 T HN 0.234 nan 8.240 nan 0.000 0.439 474 P HA 0.211 nan 4.420 nan 0.000 0.267 474 P C -2.430 174.873 177.300 0.006 0.000 1.200 474 P CA -1.151 61.955 63.100 0.009 0.000 0.772 474 P CB -0.448 31.253 31.700 0.001 0.000 0.855 475 P HA 0.251 nan 4.420 nan 0.000 0.268 475 P C 0.104 177.388 177.300 -0.026 0.000 1.208 475 P CA 0.438 63.518 63.100 -0.032 0.000 0.777 475 P CB 0.576 32.235 31.700 -0.070 0.000 0.875 476 G N 0.900 109.682 108.800 -0.029 0.000 2.489 476 G HA2 0.400 4.340 3.960 -0.034 0.000 0.305 476 G HA3 0.400 4.340 3.960 -0.034 0.000 0.305 476 G C -2.554 172.331 174.900 -0.025 0.000 1.311 476 G CA -0.702 44.386 45.100 -0.021 0.000 0.813 476 G HN 0.151 nan 8.290 nan 0.000 0.480 477 P HA 0.094 nan 4.420 nan 0.000 0.221 477 P C 0.264 177.557 177.300 -0.013 0.000 1.150 477 P CA 1.172 64.260 63.100 -0.020 0.000 0.800 477 P CB 0.437 32.129 31.700 -0.014 0.000 0.787 478 K N -1.145 119.254 120.400 -0.001 0.000 2.557 478 K HA 0.300 4.600 4.320 -0.034 0.000 0.257 478 K C -0.433 176.180 176.600 0.023 0.000 0.933 478 K CA -0.711 55.582 56.287 0.011 0.000 0.820 478 K CB 1.169 33.677 32.500 0.013 0.000 1.330 478 K HN -0.403 nan 8.250 nan 0.000 0.432 479 R N -0.264 120.257 120.500 0.035 0.000 3.770 479 R HA -0.136 4.184 4.340 -0.034 0.000 0.305 479 R C -0.210 176.118 176.300 0.047 0.000 1.184 479 R CA 1.095 57.223 56.100 0.047 0.000 0.823 479 R CB -2.306 28.021 30.300 0.045 0.000 1.285 479 R HN 0.861 nan 8.270 nan 0.000 0.499 480 G N -1.112 107.710 108.800 0.036 0.000 2.488 480 G HA2 0.625 4.564 3.960 -0.034 0.000 0.318 480 G HA3 0.625 4.564 3.960 -0.034 0.000 0.318 480 G C 0.379 175.310 174.900 0.051 0.000 1.188 480 G CA 0.047 45.166 45.100 0.032 0.000 0.944 480 G HN 0.271 nan 8.290 nan 0.000 0.495 481 G N -1.299 107.534 108.800 0.054 0.000 2.606 481 G HA2 0.412 4.351 3.960 -0.034 0.000 0.252 481 G HA3 0.412 4.351 3.960 -0.034 0.000 0.252 481 G C -0.722 174.233 174.900 0.093 0.000 1.206 481 G CA -0.572 44.583 45.100 0.091 0.000 0.861 481 G HN 0.466 nan 8.290 nan 0.000 0.561 482 F N 0.220 120.182 119.950 0.020 0.000 2.427 482 F HA 0.415 4.925 4.527 -0.028 0.000 0.352 482 F C 0.506 176.315 175.800 0.015 0.000 1.100 482 F CA -0.299 57.707 58.000 0.009 0.000 1.191 482 F CB 0.956 39.962 39.000 0.010 0.000 1.128 482 F HN 0.426 nan 8.300 nan 0.000 0.533 483 E N 4.032 123.925 120.200 -0.511 0.000 2.224 483 E HA 0.306 4.635 4.350 -0.034 0.000 0.265 483 E C -1.096 175.215 176.600 -0.481 0.000 0.878 483 E CA -0.765 55.464 56.400 -0.286 0.000 0.759 483 E CB 1.548 31.148 29.700 -0.167 0.000 1.164 483 E HN 0.630 nan 8.360 nan 0.000 0.414 484 S N 2.472 118.109 115.700 -0.104 0.000 2.576 484 S HA 0.008 4.457 4.470 -0.034 0.000 0.276 484 S C -0.547 174.043 174.600 -0.017 0.000 1.339 484 S CA -0.364 57.840 58.200 0.006 0.000 1.039 484 S CB 0.166 63.484 63.200 0.196 0.000 0.902 484 S HN 0.473 nan 8.310 nan 0.000 0.516 485 Y N 2.476 122.712 120.300 -0.107 0.000 2.717 485 Y HA -0.032 4.497 4.550 -0.036 0.000 0.330 485 Y C 0.825 176.702 175.900 -0.038 0.000 1.217 485 Y CA 0.071 58.116 58.100 -0.091 0.000 1.506 485 Y CB 0.107 38.515 38.460 -0.087 0.000 1.268 485 Y HN 0.586 nan 8.280 nan 0.000 0.561 486 Q N 5.130 124.577 119.800 -0.588 0.000 3.223 486 Q HA 0.007 4.326 4.340 -0.034 0.000 0.299 486 Q C -0.139 175.564 176.000 -0.494 0.000 1.385 486 Q CA -0.005 55.544 55.803 -0.423 0.000 0.942 486 Q CB -0.281 28.287 28.738 -0.283 0.000 1.748 486 Q HN 0.646 nan 8.270 nan 0.000 0.523 487 E N 1.384 121.361 120.200 -0.371 0.000 2.442 487 E HA -0.041 4.288 4.350 -0.034 0.000 0.262 487 E C -0.234 176.324 176.600 -0.069 0.000 1.004 487 E CA -0.357 55.955 56.400 -0.146 0.000 0.928 487 E CB 0.632 30.385 29.700 0.090 0.000 0.937 487 E HN 0.127 nan 8.360 nan 0.000 0.446 488 R N 3.040 123.524 120.500 -0.026 0.000 2.340 488 R HA 0.241 4.560 4.340 -0.034 0.000 0.300 488 R C -1.496 174.821 176.300 0.029 0.000 1.069 488 R CA -0.251 55.847 56.100 -0.004 0.000 0.984 488 R CB 0.915 31.220 30.300 0.008 0.000 1.003 488 R HN 0.302 nan 8.270 nan 0.000 0.459 489 V N 4.984 124.908 119.914 0.018 0.000 2.444 489 V HA 0.417 4.517 4.120 -0.034 0.000 0.294 489 V C -0.547 175.557 176.094 0.017 0.000 1.022 489 V CA -0.585 61.731 62.300 0.026 0.000 0.850 489 V CB 1.594 33.431 31.823 0.023 0.000 0.992 489 V HN 0.811 nan 8.190 nan 0.000 0.426 490 E N 2.810 123.022 120.200 0.020 0.000 2.274 490 E HA 0.732 5.062 4.350 -0.034 0.000 0.269 490 E C -0.081 176.522 176.600 0.006 0.000 0.891 490 E CA -0.417 55.990 56.400 0.011 0.000 0.784 490 E CB 2.433 32.140 29.700 0.011 0.000 1.225 490 E HN 0.981 nan 8.360 nan 0.000 0.412 491 G N 2.371 111.170 108.800 -0.001 0.000 2.320 491 G HA2 0.075 4.014 3.960 -0.034 0.000 0.297 491 G HA3 0.075 4.014 3.960 -0.034 0.000 0.297 491 G C -1.523 173.370 174.900 -0.012 0.000 1.344 491 G CA -1.084 44.011 45.100 -0.008 0.000 0.851 491 G HN 0.396 nan 8.290 nan 0.000 0.567 492 N N 0.094 118.784 118.700 -0.017 0.000 2.495 492 N HA 0.446 5.166 4.740 -0.034 0.000 0.280 492 N C -0.180 175.317 175.510 -0.023 0.000 1.168 492 N CA -0.567 52.472 53.050 -0.018 0.000 0.978 492 N CB 1.074 39.550 38.487 -0.020 0.000 1.191 492 N HN 0.444 nan 8.380 nan 0.000 0.497 493 K N 1.157 121.543 120.400 -0.023 0.000 2.361 493 K HA 0.160 4.459 4.320 -0.034 0.000 0.283 493 K C -0.705 175.873 176.600 -0.036 0.000 1.078 493 K CA -0.062 56.208 56.287 -0.028 0.000 1.041 493 K CB -0.270 32.215 32.500 -0.025 0.000 0.932 493 K HN 0.351 nan 8.250 nan 0.000 0.462 494 V N 0.343 120.230 119.914 -0.044 0.000 3.049 494 V HA 0.474 4.574 4.120 -0.034 0.000 0.309 494 V C -0.627 175.428 176.094 -0.066 0.000 1.148 494 V CA -1.380 60.890 62.300 -0.051 0.000 0.990 494 V CB 2.050 33.844 31.823 -0.048 0.000 1.039 494 V HN 0.616 nan 8.190 nan 0.000 0.430 495 R N 2.081 122.538 120.500 -0.073 0.000 2.522 495 R HA 0.608 4.927 4.340 -0.034 0.000 0.290 495 R C -0.485 175.765 176.300 -0.083 0.000 1.216 495 R CA -0.137 55.906 56.100 -0.095 0.000 1.250 495 R CB 0.800 31.029 30.300 -0.119 0.000 1.143 495 R HN 0.918 nan 8.270 nan 0.000 0.553 496 E N 1.928 122.076 120.200 -0.087 0.000 2.321 496 E HA 0.249 4.579 4.350 -0.034 0.000 0.278 496 E C -1.249 175.286 176.600 -0.108 0.000 0.902 496 E CA -1.062 55.289 56.400 -0.080 0.000 0.758 496 E CB 1.661 31.319 29.700 -0.069 0.000 1.213 496 E HN 0.108 nan 8.360 nan 0.000 0.426 497 R N 1.602 122.046 120.500 -0.094 0.000 2.340 497 R HA 0.210 4.529 4.340 -0.034 0.000 0.300 497 R C -0.575 175.620 176.300 -0.173 0.000 1.069 497 R CA 0.054 56.069 56.100 -0.141 0.000 0.984 497 R CB 1.201 31.476 30.300 -0.042 0.000 1.003 497 R HN 0.370 nan 8.270 nan 0.000 0.459 498 S N 5.209 120.702 115.700 -0.344 0.000 2.533 498 S HA 0.141 4.591 4.470 -0.034 0.000 0.282 498 S C -1.549 173.016 174.600 -0.058 0.000 1.304 498 S CA -1.264 56.797 58.200 -0.230 0.000 1.063 498 S CB 0.690 63.682 63.200 -0.347 0.000 0.881 498 S HN 0.542 nan 8.310 nan 0.000 0.493 499 P HA -0.123 nan 4.420 nan 0.000 0.217 499 P C 1.554 178.900 177.300 0.076 0.000 1.148 499 P CA 1.333 64.451 63.100 0.030 0.000 0.828 499 P CB -0.169 31.538 31.700 0.011 0.000 0.783 500 S N -2.009 113.769 115.700 0.130 0.000 2.469 500 S HA -0.134 4.316 4.470 -0.034 0.000 0.238 500 S C 1.492 176.262 174.600 0.285 0.000 0.998 500 S CA 0.937 59.252 58.200 0.191 0.000 0.957 500 S CB -1.422 61.925 63.200 0.245 0.000 0.764 500 S HN -0.025 nan 8.310 nan 0.000 0.514 501 F N 2.221 122.162 119.950 -0.015 0.000 2.789 501 F HA 0.380 4.884 4.527 -0.037 0.000 0.300 501 F C 1.993 177.727 175.800 -0.110 0.000 1.132 501 F CA -0.840 57.148 58.000 -0.021 0.000 1.404 501 F CB -0.713 38.307 39.000 0.034 0.000 1.114 501 F HN 0.338 nan 8.300 nan 0.000 0.584 502 G N 0.737 109.542 108.800 0.008 0.000 3.353 502 G HA2 0.073 4.012 3.960 -0.034 0.000 0.247 502 G HA3 0.073 4.012 3.960 -0.034 0.000 0.247 502 G C -0.016 174.457 174.900 -0.711 0.000 1.025 502 G CA 0.153 45.061 45.100 -0.320 0.000 1.863 502 G HN 0.053 nan 8.290 nan 0.000 0.635 503 E N 0.276 119.961 120.200 -0.858 0.000 2.274 503 E HA 0.289 4.618 4.350 -0.034 0.000 0.269 503 E C -0.924 175.251 176.600 -0.709 0.000 0.891 503 E CA -0.737 55.260 56.400 -0.672 0.000 0.784 503 E CB 1.425 30.977 29.700 -0.248 0.000 1.225 503 E HN 0.254 nan 8.360 nan 0.000 0.412 504 Y N 2.690 122.756 120.300 -0.390 0.000 2.527 504 Y HA 0.209 4.739 4.550 -0.034 0.000 0.247 504 Y C 0.544 176.140 175.900 -0.507 0.000 1.138 504 Y CA -0.148 57.640 58.100 -0.520 0.000 1.228 504 Y CB 0.423 38.446 38.460 -0.728 0.000 1.252 504 Y HN 0.421 nan 8.280 nan 0.000 0.531 505 Y N -1.674 118.709 120.300 0.139 0.000 2.467 505 Y HA 0.093 4.623 4.550 -0.033 0.000 0.259 505 Y C 2.351 178.313 175.900 0.104 0.000 1.084 505 Y CA 0.072 58.250 58.100 0.129 0.000 1.275 505 Y CB -0.313 38.227 38.460 0.133 0.000 1.208 505 Y HN 0.054 nan 8.280 nan 0.000 0.511 506 S N -0.593 115.239 115.700 0.220 0.000 2.383 506 S HA -0.201 4.249 4.470 -0.034 0.000 0.227 506 S C 1.447 176.128 174.600 0.135 0.000 1.026 506 S CA 1.706 60.019 58.200 0.187 0.000 0.981 506 S CB -0.588 62.729 63.200 0.194 0.000 0.818 506 S HN 0.430 nan 8.310 nan 0.000 0.472 507 H N 3.045 122.024 119.070 -0.151 0.000 2.326 507 H HA 0.158 4.695 4.556 -0.033 0.000 0.301 507 H C -0.624 174.519 175.328 -0.309 0.000 1.081 507 H CA 1.439 57.247 56.048 -0.399 0.000 1.334 507 H CB -1.807 27.474 29.762 -0.802 0.000 1.385 507 H HN 0.388 nan 8.280 nan 0.000 0.504 508 P HA -0.189 nan 4.420 nan 0.000 0.216 508 P C 1.485 178.980 177.300 0.325 0.000 1.153 508 P CA 1.728 65.001 63.100 0.289 0.000 0.858 508 P CB 0.074 31.965 31.700 0.319 0.000 0.789 509 R N -0.374 120.264 120.500 0.229 0.000 2.081 509 R HA -0.129 4.190 4.340 -0.034 0.000 0.235 509 R C 2.199 178.629 176.300 0.217 0.000 1.131 509 R CA 1.167 57.403 56.100 0.226 0.000 0.960 509 R CB -1.033 29.361 30.300 0.158 0.000 0.856 509 R HN 0.081 nan 8.270 nan 0.000 0.436 510 L N 0.436 121.734 121.223 0.125 0.000 2.046 510 L HA -0.123 4.196 4.340 -0.034 0.000 0.208 510 L C 1.983 178.909 176.870 0.093 0.000 1.077 510 L CA 1.707 56.584 54.840 0.060 0.000 0.747 510 L CB -0.668 41.356 42.059 -0.057 0.000 0.896 510 L HN 0.240 nan 8.230 nan 0.000 0.432 511 F N -0.657 119.331 119.950 0.063 0.000 2.075 511 F HA -0.280 4.229 4.527 -0.031 0.000 0.297 511 F C 2.331 178.133 175.800 0.004 0.000 1.113 511 F CA 2.217 60.228 58.000 0.019 0.000 1.218 511 F CB -0.667 38.377 39.000 0.073 0.000 0.984 511 F HN 0.382 nan 8.300 nan 0.000 0.472 512 W N 1.601 122.853 121.300 -0.081 0.000 2.317 512 W HA -0.257 4.382 4.660 -0.035 0.000 0.318 512 W C 1.820 178.201 176.519 -0.229 0.000 1.227 512 W CA 1.997 59.243 57.345 -0.164 0.000 1.269 512 W CB -0.838 28.638 29.460 0.027 0.000 1.155 512 W HN 0.111 nan 8.180 nan 0.000 0.484 513 L N 1.175 122.313 121.223 -0.141 0.000 2.362 513 L HA -0.166 4.153 4.340 -0.034 0.000 0.219 513 L C 2.342 179.017 176.870 -0.325 0.000 1.134 513 L CA 1.161 55.856 54.840 -0.242 0.000 0.807 513 L CB -0.772 41.265 42.059 -0.036 0.000 0.927 513 L HN -0.143 nan 8.230 nan 0.000 0.447 514 S N -1.448 114.042 115.700 -0.351 0.000 2.562 514 S HA 0.040 4.489 4.470 -0.034 0.000 0.221 514 S C 0.731 175.046 174.600 -0.475 0.000 0.975 514 S CA 0.098 58.093 58.200 -0.342 0.000 0.918 514 S CB -0.019 63.014 63.200 -0.279 0.000 0.772 514 S HN 0.293 nan 8.310 nan 0.000 0.531 515 Q N 2.303 121.712 119.800 -0.652 0.000 2.306 515 Q HA 0.270 4.589 4.340 -0.034 0.000 0.241 515 Q C 0.690 176.301 176.000 -0.648 0.000 0.948 515 Q CA -0.067 55.318 55.803 -0.698 0.000 0.886 515 Q CB 0.441 28.682 28.738 -0.827 0.000 1.227 515 Q HN 0.438 nan 8.270 nan 0.000 0.457 516 T N -1.492 112.637 114.554 -0.709 0.000 2.748 516 T HA 0.144 4.474 4.350 -0.034 0.000 0.304 516 T C -1.716 172.507 174.700 -0.796 0.000 1.041 516 T CA -1.261 60.371 62.100 -0.780 0.000 1.033 516 T CB 0.197 68.341 68.868 -1.207 0.000 0.995 516 T HN 0.240 nan 8.240 nan 0.000 0.536 517 P HA -0.030 nan 4.420 nan 0.000 0.215 517 P C 1.457 178.539 177.300 -0.363 0.000 1.157 517 P CA 1.114 63.978 63.100 -0.392 0.000 0.868 517 P CB -0.260 31.331 31.700 -0.181 0.000 0.788 518 F N -0.047 119.705 119.950 -0.329 0.000 2.259 518 F HA 0.043 4.549 4.527 -0.034 0.000 0.298 518 F C 1.799 177.226 175.800 -0.621 0.000 1.088 518 F CA 0.826 58.562 58.000 -0.441 0.000 1.358 518 F CB -1.563 37.169 39.000 -0.446 0.000 1.040 518 F HN -0.100 nan 8.300 nan 0.000 0.505 519 E N 0.614 120.248 120.200 -0.943 0.000 2.106 519 E HA -0.205 4.125 4.350 -0.034 0.000 0.192 519 E C 2.203 178.607 176.600 -0.327 0.000 0.984 519 E CA 1.337 57.421 56.400 -0.526 0.000 0.806 519 E CB -0.294 29.067 29.700 -0.565 0.000 0.750 519 E HN 0.623 nan 8.360 nan 0.000 0.458 520 Q N 0.382 119.901 119.800 -0.467 0.000 2.084 520 Q HA -0.188 4.131 4.340 -0.034 0.000 0.202 520 Q C 2.294 178.308 176.000 0.024 0.000 0.978 520 Q CA 1.208 56.758 55.803 -0.421 0.000 0.844 520 Q CB -0.157 28.090 28.738 -0.818 0.000 0.898 520 Q HN 0.141 nan 8.270 nan 0.000 0.426 521 R N 0.062 120.565 120.500 0.005 0.000 2.092 521 R HA -0.157 4.162 4.340 -0.034 0.000 0.231 521 R C 1.719 178.203 176.300 0.307 0.000 1.119 521 R CA 1.501 57.694 56.100 0.156 0.000 0.970 521 R CB -0.149 30.210 30.300 0.099 0.000 0.864 521 R HN 0.495 nan 8.270 nan 0.000 0.440 522 H N -0.231 118.933 119.070 0.158 0.000 2.387 522 H HA -0.080 4.456 4.556 -0.034 0.000 0.299 522 H C 2.215 177.657 175.328 0.191 0.000 1.090 522 H CA 1.372 57.526 56.048 0.177 0.000 1.332 522 H CB 0.042 29.917 29.762 0.188 0.000 1.386 522 H HN 0.217 nan 8.280 nan 0.000 0.516 523 I N 0.212 120.999 120.570 0.362 0.000 2.179 523 I HA -0.249 3.901 4.170 -0.034 0.000 0.242 523 I C 2.346 178.747 176.117 0.475 0.000 1.088 523 I CA 0.733 62.280 61.300 0.412 0.000 1.357 523 I CB -0.159 38.175 38.000 0.556 0.000 1.051 523 I HN 0.073 nan 8.210 nan 0.000 0.409 524 V N 0.976 121.164 119.914 0.456 0.000 2.287 524 V HA -0.331 3.768 4.120 -0.034 0.000 0.248 524 V C 2.060 178.327 176.094 0.288 0.000 1.053 524 V CA 2.171 64.689 62.300 0.362 0.000 1.027 524 V CB -0.694 31.305 31.823 0.293 0.000 0.646 524 V HN 0.419 nan 8.190 nan 0.000 0.447 525 D N 0.387 120.939 120.400 0.253 0.000 2.144 525 D HA -0.093 4.526 4.640 -0.034 0.000 0.199 525 D C 2.173 178.544 176.300 0.119 0.000 0.984 525 D CA 1.516 55.631 54.000 0.191 0.000 0.834 525 D CB -0.624 40.293 40.800 0.196 0.000 0.955 525 D HN 0.477 nan 8.370 nan 0.000 0.465 526 G N 0.025 108.871 108.800 0.077 0.000 2.433 526 G HA2 -0.249 3.691 3.960 -0.034 0.000 0.216 526 G HA3 -0.249 3.691 3.960 -0.034 0.000 0.216 526 G C 1.456 176.352 174.900 -0.008 0.000 1.186 526 G CA 0.217 45.271 45.100 -0.077 0.000 0.779 526 G HN 0.170 nan 8.290 nan 0.000 0.543 527 F N 1.807 121.795 119.950 0.063 0.000 2.126 527 F HA -0.082 4.424 4.527 -0.034 0.000 0.299 527 F C 3.171 178.890 175.800 -0.135 0.000 1.096 527 F CA 1.637 59.609 58.000 -0.047 0.000 1.255 527 F CB -0.359 38.624 39.000 -0.029 0.000 0.997 527 F HN 0.086 nan 8.300 nan 0.000 0.479 528 S N -0.193 115.595 115.700 0.146 0.000 2.368 528 S HA -0.198 4.251 4.470 -0.034 0.000 0.224 528 S C 1.858 176.483 174.600 0.041 0.000 1.029 528 S CA 1.260 59.499 58.200 0.065 0.000 0.988 528 S CB -0.757 62.507 63.200 0.106 0.000 0.838 528 S HN 0.404 nan 8.310 nan 0.000 0.462 529 F N 2.598 122.511 119.950 -0.061 0.000 2.084 529 F HA -0.073 4.433 4.527 -0.035 0.000 0.296 529 F C 2.320 178.058 175.800 -0.103 0.000 1.111 529 F CA 1.456 59.412 58.000 -0.072 0.000 1.224 529 F CB -0.369 38.546 39.000 -0.141 0.000 0.991 529 F HN 0.110 nan 8.300 nan 0.000 0.471 530 E N 0.631 120.833 120.200 0.004 0.000 2.085 530 E HA -0.232 4.098 4.350 -0.034 0.000 0.194 530 E C 2.319 178.725 176.600 -0.325 0.000 0.994 530 E CA 1.779 58.119 56.400 -0.100 0.000 0.801 530 E CB -0.528 29.246 29.700 0.123 0.000 0.743 530 E HN 0.485 nan 8.360 nan 0.000 0.453 531 L N 0.739 121.699 121.223 -0.439 0.000 2.291 531 L HA -0.079 4.241 4.340 -0.034 0.000 0.214 531 L C 2.418 179.132 176.870 -0.260 0.000 1.120 531 L CA 0.364 54.933 54.840 -0.452 0.000 0.799 531 L CB -0.099 41.700 42.059 -0.434 0.000 0.925 531 L HN -0.006 nan 8.230 nan 0.000 0.446 532 S N -0.109 115.449 115.700 -0.236 0.000 2.423 532 S HA -0.128 4.321 4.470 -0.034 0.000 0.231 532 S C 1.772 176.259 174.600 -0.187 0.000 1.014 532 S CA 1.117 59.204 58.200 -0.188 0.000 0.965 532 S CB -0.043 63.044 63.200 -0.188 0.000 0.785 532 S HN 0.391 nan 8.310 nan 0.000 0.495 533 K N 0.959 121.218 120.400 -0.235 0.000 2.459 533 K HA 0.137 4.436 4.320 -0.034 0.000 0.193 533 K C -0.144 176.446 176.600 -0.016 0.000 1.030 533 K CA 0.056 56.267 56.287 -0.127 0.000 1.026 533 K CB 0.248 32.660 32.500 -0.147 0.000 0.809 533 K HN 0.112 nan 8.250 nan 0.000 0.504 534 V N 1.967 121.856 119.914 -0.042 0.000 2.479 534 V HA -0.057 4.043 4.120 -0.034 0.000 0.281 534 V C 1.510 177.595 176.094 -0.014 0.000 1.031 534 V CA 0.082 62.384 62.300 0.004 0.000 1.038 534 V CB 1.296 33.089 31.823 -0.050 0.000 0.981 534 V HN -0.008 nan 8.190 nan 0.000 0.478 535 V N 5.266 125.195 119.914 0.024 0.000 2.453 535 V HA -0.055 4.045 4.120 -0.034 0.000 0.247 535 V C 1.352 177.442 176.094 -0.006 0.000 1.048 535 V CA 1.319 63.630 62.300 0.018 0.000 1.049 535 V CB -0.423 31.428 31.823 0.047 0.000 0.672 535 V HN 0.765 nan 8.190 nan 0.000 0.457 536 R N 0.894 121.370 120.500 -0.040 0.000 2.242 536 R HA 0.173 4.493 4.340 -0.034 0.000 0.334 536 R C -1.728 174.475 176.300 -0.161 0.000 1.071 536 R CA -1.391 54.668 56.100 -0.068 0.000 0.922 536 R CB 0.619 30.829 30.300 -0.151 0.000 1.023 536 R HN 0.258 nan 8.270 nan 0.000 0.458 537 P HA -0.195 nan 4.420 nan 0.000 0.218 537 P C 0.722 178.000 177.300 -0.037 0.000 1.149 537 P CA 1.109 64.190 63.100 -0.032 0.000 0.817 537 P CB 0.001 31.715 31.700 0.024 0.000 0.785 538 Y N -1.239 119.062 120.300 0.002 0.000 2.274 538 Y HA -0.098 4.431 4.550 -0.035 0.000 0.290 538 Y C 1.979 177.886 175.900 0.011 0.000 1.145 538 Y CA 0.803 58.904 58.100 0.003 0.000 1.203 538 Y CB -1.745 36.717 38.460 0.003 0.000 0.984 538 Y HN -0.134 nan 8.280 nan 0.000 0.533 539 I N 1.007 121.115 120.570 -0.771 0.000 2.226 539 I HA -0.269 3.881 4.170 -0.034 0.000 0.245 539 I C 2.509 178.528 176.117 -0.163 0.000 1.100 539 I CA 1.591 62.627 61.300 -0.440 0.000 1.374 539 I CB -0.414 37.328 38.000 -0.429 0.000 1.057 539 I HN 0.219 nan 8.210 nan 0.000 0.413 540 R N 0.815 121.217 120.500 -0.164 0.000 2.096 540 R HA -0.178 4.142 4.340 -0.034 0.000 0.235 540 R C 2.120 178.372 176.300 -0.080 0.000 1.127 540 R CA 1.443 57.465 56.100 -0.130 0.000 0.968 540 R CB -0.384 29.837 30.300 -0.132 0.000 0.861 540 R HN 0.447 nan 8.270 nan 0.000 0.440 541 E N 0.509 120.684 120.200 -0.043 0.000 2.072 541 E HA -0.143 4.186 4.350 -0.034 0.000 0.191 541 E C 2.089 178.694 176.600 0.009 0.000 0.985 541 E CA 1.015 57.409 56.400 -0.009 0.000 0.801 541 E CB 0.007 29.724 29.700 0.027 0.000 0.750 541 E HN 0.270 nan 8.360 nan 0.000 0.452 542 R N 0.289 120.808 120.500 0.032 0.000 2.120 542 R HA -0.090 4.229 4.340 -0.034 0.000 0.234 542 R C 2.341 178.665 176.300 0.041 0.000 1.123 542 R CA 0.925 57.055 56.100 0.051 0.000 0.975 542 R CB -0.232 30.116 30.300 0.080 0.000 0.866 542 R HN 0.051 nan 8.270 nan 0.000 0.446 543 V N 0.267 120.199 119.914 0.030 0.000 2.307 543 V HA -0.202 3.898 4.120 -0.034 0.000 0.245 543 V C 2.282 178.359 176.094 -0.029 0.000 1.045 543 V CA 1.541 63.871 62.300 0.050 0.000 1.024 543 V CB -0.338 31.532 31.823 0.078 0.000 0.651 543 V HN 0.109 nan 8.190 nan 0.000 0.449 544 V N 0.656 120.524 119.914 -0.077 0.000 2.380 544 V HA -0.344 3.755 4.120 -0.034 0.000 0.251 544 V C 2.306 178.357 176.094 -0.071 0.000 1.063 544 V CA 2.521 64.754 62.300 -0.112 0.000 1.055 544 V CB -0.750 31.015 31.823 -0.096 0.000 0.657 544 V HN 0.664 nan 8.190 nan 0.000 0.455 545 D N -0.950 119.443 120.400 -0.012 0.000 2.144 545 D HA -0.183 4.436 4.640 -0.034 0.000 0.199 545 D C 2.281 178.663 176.300 0.137 0.000 0.984 545 D CA 1.050 55.077 54.000 0.044 0.000 0.834 545 D CB -0.005 40.841 40.800 0.078 0.000 0.955 545 D HN 0.323 nan 8.370 nan 0.000 0.465 546 Q N -0.135 119.721 119.800 0.094 0.000 2.079 546 Q HA -0.080 4.240 4.340 -0.034 0.000 0.200 546 Q C 2.572 178.605 176.000 0.054 0.000 0.974 546 Q CA 0.697 56.569 55.803 0.116 0.000 0.840 546 Q CB -0.383 28.432 28.738 0.129 0.000 0.898 546 Q HN 0.447 nan 8.270 nan 0.000 0.430 547 L N 0.151 121.333 121.223 -0.067 0.000 2.079 547 L HA -0.172 4.148 4.340 -0.034 0.000 0.210 547 L C 2.418 179.170 176.870 -0.198 0.000 1.081 547 L CA 1.076 55.799 54.840 -0.195 0.000 0.752 547 L CB -0.736 41.106 42.059 -0.362 0.000 0.896 547 L HN 0.113 nan 8.230 nan 0.000 0.433 548 A N -0.488 122.231 122.820 -0.168 0.000 1.972 548 A HA -0.232 4.067 4.320 -0.034 0.000 0.219 548 A C 1.836 179.219 177.584 -0.335 0.000 1.169 548 A CA 1.548 53.443 52.037 -0.236 0.000 0.635 548 A CB -0.801 18.057 19.000 -0.236 0.000 0.810 548 A HN 0.471 nan 8.150 nan 0.000 0.446 549 H N -1.199 117.667 119.070 -0.340 0.000 2.559 549 H HA 0.197 4.733 4.556 -0.033 0.000 0.273 549 H C 1.563 176.605 175.328 -0.477 0.000 1.000 549 H CA 1.148 56.861 56.048 -0.558 0.000 1.195 549 H CB -0.003 29.054 29.762 -1.175 0.000 1.368 549 H HN 0.518 nan 8.280 nan 0.000 0.592 550 I N -1.262 119.199 120.570 -0.182 0.000 2.900 550 I HA 0.080 4.229 4.170 -0.034 0.000 0.251 550 I C -0.096 175.942 176.117 -0.131 0.000 1.102 550 I CA 0.436 61.695 61.300 -0.068 0.000 1.457 550 I CB 0.693 38.688 38.000 -0.008 0.000 1.285 550 I HN 0.101 nan 8.210 nan 0.000 0.459 551 D N -0.471 119.779 120.400 -0.250 0.000 2.871 551 D HA 0.133 4.752 4.640 -0.034 0.000 0.209 551 D C 0.224 176.346 176.300 -0.296 0.000 1.292 551 D CA -0.382 53.449 54.000 -0.280 0.000 0.869 551 D CB 1.379 41.881 40.800 -0.496 0.000 1.663 551 D HN -0.070 nan 8.370 nan 0.000 0.557 552 L N 3.119 124.227 121.223 -0.191 0.000 2.093 552 L HA -0.031 4.289 4.340 -0.034 0.000 0.208 552 L C 1.248 178.030 176.870 -0.146 0.000 1.085 552 L CA 1.966 56.710 54.840 -0.160 0.000 0.755 552 L CB -0.768 41.228 42.059 -0.105 0.000 0.904 552 L HN 0.600 nan 8.230 nan 0.000 0.435 553 T N 0.847 115.334 114.554 -0.112 0.000 2.777 553 T HA -0.168 4.162 4.350 -0.034 0.000 0.266 553 T C 1.857 176.484 174.700 -0.121 0.000 1.040 553 T CA 1.479 63.558 62.100 -0.036 0.000 1.141 553 T CB -0.245 68.690 68.868 0.112 0.000 0.868 553 T HN 0.304 nan 8.240 nan 0.000 0.444 554 L N 1.752 122.715 121.223 -0.433 0.000 2.017 554 L HA 0.064 4.383 4.340 -0.034 0.000 0.208 554 L C 2.592 179.229 176.870 -0.389 0.000 1.073 554 L CA 2.085 56.511 54.840 -0.690 0.000 0.745 554 L CB -1.185 40.052 42.059 -1.369 0.000 0.894 554 L HN 0.201 nan 8.230 nan 0.000 0.432 555 A N -0.957 121.649 122.820 -0.357 0.000 1.883 555 A HA -0.271 4.029 4.320 -0.034 0.000 0.217 555 A C 2.216 179.699 177.584 -0.167 0.000 1.186 555 A CA 1.994 53.876 52.037 -0.259 0.000 0.624 555 A CB -0.723 18.136 19.000 -0.235 0.000 0.822 555 A HN 0.694 nan 8.150 nan 0.000 0.444 556 Q N -0.852 118.872 119.800 -0.126 0.000 2.084 556 Q HA -0.131 4.189 4.340 -0.034 0.000 0.202 556 Q C 2.457 178.428 176.000 -0.047 0.000 0.978 556 Q CA 1.405 57.164 55.803 -0.074 0.000 0.844 556 Q CB -0.380 28.328 28.738 -0.049 0.000 0.898 556 Q HN 0.693 nan 8.270 nan 0.000 0.426 557 A N 0.279 123.078 122.820 -0.036 0.000 1.933 557 A HA -0.122 4.178 4.320 -0.034 0.000 0.218 557 A C 2.308 179.894 177.584 0.003 0.000 1.175 557 A CA 1.244 53.287 52.037 0.011 0.000 0.628 557 A CB -0.549 18.488 19.000 0.061 0.000 0.814 557 A HN 0.205 nan 8.150 nan 0.000 0.444 558 V N -0.248 119.638 119.914 -0.045 0.000 2.323 558 V HA -0.189 3.911 4.120 -0.034 0.000 0.244 558 V C 3.060 179.125 176.094 -0.049 0.000 1.041 558 V CA 1.727 64.000 62.300 -0.044 0.000 1.025 558 V CB -1.198 30.550 31.823 -0.124 0.000 0.656 558 V HN 0.606 nan 8.190 nan 0.000 0.451 559 A N 0.071 122.850 122.820 -0.069 0.000 1.892 559 A HA -0.326 3.974 4.320 -0.034 0.000 0.218 559 A C 2.342 179.908 177.584 -0.030 0.000 1.188 559 A CA 2.489 54.493 52.037 -0.056 0.000 0.631 559 A CB -0.575 18.389 19.000 -0.060 0.000 0.822 559 A HN 0.535 nan 8.150 nan 0.000 0.447 560 K N -0.496 119.893 120.400 -0.017 0.000 2.097 560 K HA -0.185 4.114 4.320 -0.034 0.000 0.206 560 K C 1.387 177.993 176.600 0.009 0.000 1.049 560 K CA 1.595 57.882 56.287 -0.001 0.000 0.933 560 K CB -0.226 32.279 32.500 0.009 0.000 0.717 560 K HN 0.457 nan 8.250 nan 0.000 0.442 561 N N 0.511 119.220 118.700 0.015 0.000 2.453 561 N HA -0.101 4.618 4.740 -0.034 0.000 0.183 561 N C 0.950 176.465 175.510 0.007 0.000 1.041 561 N CA 0.705 53.770 53.050 0.025 0.000 0.900 561 N CB 0.102 38.618 38.487 0.047 0.000 0.961 561 N HN 0.159 nan 8.380 nan 0.000 0.443 562 L N -0.366 120.849 121.223 -0.012 0.000 2.640 562 L HA 0.297 4.616 4.340 -0.034 0.000 0.230 562 L C 1.152 178.011 176.870 -0.019 0.000 1.123 562 L CA 0.055 54.879 54.840 -0.027 0.000 0.900 562 L CB -0.822 41.206 42.059 -0.050 0.000 1.146 562 L HN 0.186 nan 8.230 nan 0.000 0.484 563 G N 0.687 109.481 108.800 -0.010 0.000 2.246 563 G HA2 -0.287 3.653 3.960 -0.034 0.000 0.273 563 G HA3 -0.287 3.653 3.960 -0.034 0.000 0.273 563 G C 0.286 175.179 174.900 -0.011 0.000 1.055 563 G CA 0.349 45.445 45.100 -0.006 0.000 0.851 563 G HN 0.312 nan 8.290 nan 0.000 0.500 564 I N -0.287 120.272 120.570 -0.018 0.000 2.562 564 I HA 0.433 4.583 4.170 -0.034 0.000 0.301 564 I C 0.179 176.283 176.117 -0.022 0.000 1.003 564 I CA -0.781 60.507 61.300 -0.021 0.000 1.127 564 I CB 1.783 39.764 38.000 -0.031 0.000 1.304 564 I HN 0.013 nan 8.210 nan 0.000 0.446 565 E N 5.277 125.465 120.200 -0.020 0.000 2.145 565 E HA 0.324 4.653 4.350 -0.034 0.000 0.270 565 E C -1.109 175.475 176.600 -0.028 0.000 0.906 565 E CA -0.918 55.469 56.400 -0.021 0.000 0.761 565 E CB 1.758 31.449 29.700 -0.015 0.000 1.116 565 E HN 0.265 nan 8.360 nan 0.000 0.408 566 L N 2.858 124.059 121.223 -0.037 0.000 2.461 566 L HA 0.095 4.415 4.340 -0.034 0.000 0.272 566 L C 1.321 178.169 176.870 -0.037 0.000 1.197 566 L CA 0.354 55.167 54.840 -0.045 0.000 0.836 566 L CB 0.156 42.178 42.059 -0.061 0.000 1.105 566 L HN 0.622 nan 8.230 nan 0.000 0.477 567 T N -1.708 112.824 114.554 -0.037 0.000 2.816 567 T HA 0.128 4.458 4.350 -0.034 0.000 0.282 567 T C 1.216 175.893 174.700 -0.039 0.000 0.993 567 T CA -0.417 61.664 62.100 -0.031 0.000 0.994 567 T CB 0.863 69.716 68.868 -0.026 0.000 1.025 567 T HN 0.655 nan 8.240 nan 0.000 0.529 568 D N 1.070 121.451 120.400 -0.031 0.000 2.177 568 D HA -0.250 4.370 4.640 -0.034 0.000 0.189 568 D C 1.211 177.487 176.300 -0.041 0.000 1.002 568 D CA 1.690 55.672 54.000 -0.031 0.000 0.845 568 D CB -0.555 40.231 40.800 -0.023 0.000 0.960 568 D HN 0.566 nan 8.370 nan 0.000 0.447 569 D N 0.927 121.304 120.400 -0.039 0.000 2.104 569 D HA -0.136 4.484 4.640 -0.034 0.000 0.194 569 D C 2.400 178.654 176.300 -0.078 0.000 0.994 569 D CA 0.993 54.964 54.000 -0.048 0.000 0.830 569 D CB -0.353 40.427 40.800 -0.033 0.000 0.959 569 D HN 0.449 nan 8.370 nan 0.000 0.452 570 Q N -0.447 119.304 119.800 -0.082 0.000 2.167 570 Q HA -0.085 4.235 4.340 -0.034 0.000 0.202 570 Q C 1.908 177.827 176.000 -0.134 0.000 0.970 570 Q CA 0.412 56.139 55.803 -0.126 0.000 0.855 570 Q CB 0.068 28.743 28.738 -0.105 0.000 0.911 570 Q HN 0.171 nan 8.270 nan 0.000 0.438 571 L N 0.971 122.137 121.223 -0.095 0.000 2.201 571 L HA -0.109 4.210 4.340 -0.034 0.000 0.212 571 L C 1.170 177.989 176.870 -0.086 0.000 1.105 571 L CA 1.460 56.249 54.840 -0.085 0.000 0.775 571 L CB -0.401 41.623 42.059 -0.059 0.000 0.913 571 L HN 0.221 nan 8.230 nan 0.000 0.440 572 N N -0.782 117.867 118.700 -0.085 0.000 2.270 572 N HA 0.145 4.865 4.740 -0.034 0.000 0.198 572 N C 0.429 175.879 175.510 -0.099 0.000 1.117 572 N CA -0.003 53.002 53.050 -0.076 0.000 0.845 572 N CB 0.325 38.779 38.487 -0.055 0.000 0.980 572 N HN 0.237 nan 8.380 nan 0.000 0.486 573 I N 1.852 122.329 120.570 -0.155 0.000 2.742 573 I HA -0.081 4.069 4.170 -0.034 0.000 0.287 573 I C 0.305 176.334 176.117 -0.147 0.000 1.186 573 I CA 0.452 61.628 61.300 -0.206 0.000 1.417 573 I CB 0.003 37.757 38.000 -0.410 0.000 1.377 573 I HN -0.129 nan 8.210 nan 0.000 0.556 574 T N 8.141 122.638 114.554 -0.096 0.000 2.817 574 T HA 0.152 4.481 4.350 -0.034 0.000 0.295 574 T C -1.970 172.698 174.700 -0.053 0.000 0.958 574 T CA -0.848 61.220 62.100 -0.054 0.000 1.157 574 T CB 0.066 68.922 68.868 -0.020 0.000 0.898 574 T HN 0.390 nan 8.240 nan 0.000 0.536 575 P HA 0.172 nan 4.420 nan 0.000 0.267 575 P C -2.273 175.044 177.300 0.027 0.000 1.200 575 P CA -1.215 61.873 63.100 -0.020 0.000 0.772 575 P CB -0.405 31.293 31.700 -0.004 0.000 0.855 576 P HA 0.202 nan 4.420 nan 0.000 0.272 576 P C -2.461 174.895 177.300 0.092 0.000 1.230 576 P CA -1.312 61.858 63.100 0.117 0.000 0.788 576 P CB -0.921 30.895 31.700 0.193 0.000 0.949 577 P HA 0.117 nan 4.420 nan 0.000 0.272 577 P C -0.088 177.261 177.300 0.082 0.000 1.230 577 P CA 0.150 63.297 63.100 0.079 0.000 0.788 577 P CB 0.375 32.122 31.700 0.078 0.000 0.949 578 D N -0.202 120.238 120.400 0.067 0.000 2.369 578 D HA 0.100 4.719 4.640 -0.034 0.000 0.241 578 D C -0.160 176.183 176.300 0.072 0.000 1.271 578 D CA 0.070 54.105 54.000 0.058 0.000 0.942 578 D CB 0.601 41.429 40.800 0.047 0.000 1.129 578 D HN 0.002 nan 8.370 nan 0.000 0.476 579 V N 2.002 121.948 119.914 0.053 0.000 2.318 579 V HA 0.060 4.160 4.120 -0.034 0.000 0.271 579 V C 0.059 176.239 176.094 0.143 0.000 1.030 579 V CA -0.423 61.936 62.300 0.099 0.000 0.844 579 V CB 0.031 31.823 31.823 -0.051 0.000 1.015 579 V HN 0.590 nan 8.190 nan 0.000 0.460 580 N N 4.444 123.242 118.700 0.163 0.000 2.727 580 N HA -0.224 4.496 4.740 -0.034 0.000 0.249 580 N C 1.144 176.707 175.510 0.087 0.000 1.048 580 N CA 1.132 54.260 53.050 0.130 0.000 0.714 580 N CB -0.912 37.688 38.487 0.188 0.000 0.959 580 N HN 1.294 nan 8.380 nan 0.000 0.544 581 G N -2.085 106.756 108.800 0.068 0.000 2.179 581 G HA2 -0.330 3.609 3.960 -0.034 0.000 0.260 581 G HA3 -0.330 3.609 3.960 -0.034 0.000 0.260 581 G C 0.109 175.036 174.900 0.045 0.000 0.977 581 G CA 0.369 45.498 45.100 0.049 0.000 0.641 581 G HN 0.404 nan 8.290 nan 0.000 0.533 582 L N 1.013 122.267 121.223 0.051 0.000 2.349 582 L HA 0.438 4.757 4.340 -0.034 0.000 0.275 582 L C 1.560 178.444 176.870 0.023 0.000 1.115 582 L CA -0.162 54.700 54.840 0.036 0.000 0.820 582 L CB 1.143 43.224 42.059 0.036 0.000 1.135 582 L HN 0.218 nan 8.230 nan 0.000 0.445 583 K N 3.751 124.159 120.400 0.014 0.000 2.387 583 K HA 0.219 4.519 4.320 -0.034 0.000 0.203 583 K C -0.482 176.113 176.600 -0.009 0.000 1.030 583 K CA -0.146 56.147 56.287 0.010 0.000 1.099 583 K CB 0.561 33.067 32.500 0.009 0.000 0.863 583 K HN 0.757 nan 8.250 nan 0.000 0.529 584 K N -0.564 119.827 120.400 -0.015 0.000 3.076 584 K HA 0.178 4.478 4.320 -0.034 0.000 0.314 584 K C -2.284 174.301 176.600 -0.024 0.000 1.113 584 K CA -0.779 55.484 56.287 -0.041 0.000 0.860 584 K CB 0.241 32.698 32.500 -0.073 0.000 1.435 584 K HN -0.118 nan 8.250 nan 0.000 0.374 585 D N 1.676 122.056 120.400 -0.034 0.000 2.452 585 D HA 0.231 4.850 4.640 -0.034 0.000 0.226 585 D C -2.070 174.220 176.300 -0.017 0.000 1.366 585 D CA -1.755 52.245 54.000 0.000 0.000 0.986 585 D CB 1.985 42.808 40.800 0.039 0.000 1.420 585 D HN 0.309 nan 8.370 nan 0.000 0.583 586 P HA -0.136 nan 4.420 nan 0.000 0.221 586 P C 1.242 178.542 177.300 0.001 0.000 1.145 586 P CA 0.810 63.888 63.100 -0.036 0.000 0.795 586 P CB 0.090 31.776 31.700 -0.024 0.000 0.775 587 S N -0.776 114.957 115.700 0.056 0.000 2.547 587 S HA -0.043 4.407 4.470 -0.034 0.000 0.235 587 S C 1.793 176.493 174.600 0.165 0.000 0.980 587 S CA 0.542 58.812 58.200 0.116 0.000 0.941 587 S CB -1.433 61.856 63.200 0.148 0.000 0.763 587 S HN 0.135 nan 8.310 nan 0.000 0.532 588 L N 1.294 122.583 121.223 0.109 0.000 2.509 588 L HA 0.214 4.533 4.340 -0.034 0.000 0.222 588 L C 1.538 178.353 176.870 -0.091 0.000 1.123 588 L CA 0.157 55.064 54.840 0.111 0.000 0.856 588 L CB -0.331 41.786 42.059 0.096 0.000 0.985 588 L HN 0.343 nan 8.230 nan 0.000 0.456 589 S N -0.415 115.199 115.700 -0.142 0.000 2.610 589 S HA 0.288 4.737 4.470 -0.034 0.000 0.273 589 S C 1.056 175.554 174.600 -0.169 0.000 1.274 589 S CA -0.612 57.446 58.200 -0.237 0.000 1.023 589 S CB 1.378 64.425 63.200 -0.255 0.000 0.962 589 S HN 0.168 nan 8.310 nan 0.000 0.523 590 L N 2.389 123.437 121.223 -0.291 0.000 2.131 590 L HA 0.054 4.374 4.340 -0.034 0.000 0.206 590 L C 0.930 177.511 176.870 -0.482 0.000 1.087 590 L CA 1.041 55.596 54.840 -0.474 0.000 0.767 590 L CB -0.250 41.240 42.059 -0.947 0.000 0.917 590 L HN 0.779 nan 8.230 nan 0.000 0.441 591 Y N -2.286 118.010 120.300 -0.007 0.000 2.426 591 Y HA 0.329 4.859 4.550 -0.033 0.000 0.249 591 Y C 2.185 178.093 175.900 0.013 0.000 1.103 591 Y CA -0.072 58.063 58.100 0.058 0.000 1.256 591 Y CB -0.485 38.049 38.460 0.123 0.000 1.208 591 Y HN -0.037 nan 8.280 nan 0.000 0.519 592 A N 0.905 123.740 122.820 0.025 0.000 1.927 592 A HA -0.150 4.149 4.320 -0.034 0.000 0.220 592 A C 1.011 178.625 177.584 0.050 0.000 1.185 592 A CA 1.336 53.367 52.037 -0.010 0.000 0.639 592 A CB -0.821 18.128 19.000 -0.085 0.000 0.820 592 A HN 0.334 nan 8.150 nan 0.000 0.451 593 I N 0.737 121.344 120.570 0.062 0.000 2.371 593 I HA 0.218 4.367 4.170 -0.034 0.000 0.282 593 I C -2.452 173.730 176.117 0.109 0.000 1.031 593 I CA -2.133 59.212 61.300 0.074 0.000 1.180 593 I CB 1.315 39.348 38.000 0.055 0.000 1.336 593 I HN -0.006 nan 8.210 nan 0.000 0.467 594 P HA -0.129 nan 4.420 nan 0.000 0.252 594 P C -0.101 177.273 177.300 0.123 0.000 1.136 594 P CA 0.744 63.933 63.100 0.149 0.000 0.778 594 P CB 0.235 32.008 31.700 0.122 0.000 0.722 595 D N 1.746 122.229 120.400 0.138 0.000 2.563 595 D HA 0.063 4.683 4.640 -0.034 0.000 0.256 595 D C 0.604 176.963 176.300 0.098 0.000 1.400 595 D CA -0.242 53.820 54.000 0.104 0.000 0.800 595 D CB -0.302 40.553 40.800 0.092 0.000 1.145 595 D HN 0.307 nan 8.370 nan 0.000 0.501 596 G N 0.239 109.112 108.800 0.121 0.000 2.491 596 G HA2 0.316 4.255 3.960 -0.034 0.000 0.238 596 G HA3 0.316 4.255 3.960 -0.034 0.000 0.238 596 G C -0.595 174.347 174.900 0.069 0.000 1.277 596 G CA 0.069 45.232 45.100 0.105 0.000 0.851 596 G HN 0.152 nan 8.290 nan 0.000 0.573 597 D N 0.325 120.755 120.400 0.051 0.000 2.787 597 D HA 0.241 4.860 4.640 -0.034 0.000 0.246 597 D C 1.041 177.355 176.300 0.023 0.000 1.150 597 D CA -0.569 53.448 54.000 0.028 0.000 0.864 597 D CB 2.130 42.938 40.800 0.014 0.000 1.481 597 D HN 0.267 nan 8.370 nan 0.000 0.509 598 V N 1.786 121.706 119.914 0.010 0.000 3.354 598 V HA 0.264 4.363 4.120 -0.034 0.000 0.258 598 V C 0.999 177.076 176.094 -0.029 0.000 1.159 598 V CA 0.188 62.489 62.300 0.001 0.000 1.125 598 V CB -0.449 31.371 31.823 -0.006 0.000 0.774 598 V HN 0.395 nan 8.190 nan 0.000 0.464 599 K N 1.362 121.738 120.400 -0.041 0.000 2.453 599 K HA 0.349 4.649 4.320 -0.034 0.000 0.280 599 K C 1.228 177.791 176.600 -0.062 0.000 1.045 599 K CA 1.098 57.340 56.287 -0.075 0.000 1.059 599 K CB 0.013 32.474 32.500 -0.065 0.000 0.901 599 K HN 0.774 nan 8.250 nan 0.000 0.475 600 G N 3.381 112.116 108.800 -0.110 0.000 2.213 600 G HA2 -0.206 3.734 3.960 -0.034 0.000 0.236 600 G HA3 -0.206 3.734 3.960 -0.034 0.000 0.236 600 G C 0.052 174.998 174.900 0.076 0.000 0.991 600 G CA -0.317 44.790 45.100 0.012 0.000 0.629 600 G HN 0.556 nan 8.290 nan 0.000 0.517 601 R N -0.070 120.443 120.500 0.021 0.000 2.726 601 R HA 0.618 4.938 4.340 -0.034 0.000 0.272 601 R C 0.302 176.656 176.300 0.090 0.000 1.097 601 R CA -0.097 56.045 56.100 0.070 0.000 1.198 601 R CB 0.522 30.858 30.300 0.060 0.000 1.114 601 R HN 0.387 nan 8.270 nan 0.000 0.550 602 V N 0.649 120.636 119.914 0.121 0.000 2.735 602 V HA 0.421 4.520 4.120 -0.034 0.000 0.310 602 V C -0.244 175.914 176.094 0.106 0.000 1.061 602 V CA -0.925 61.459 62.300 0.140 0.000 0.913 602 V CB 2.322 34.247 31.823 0.171 0.000 1.005 602 V HN 0.359 nan 8.190 nan 0.000 0.428 603 V N 2.644 122.615 119.914 0.095 0.000 2.555 603 V HA 0.807 4.907 4.120 -0.034 0.000 0.302 603 V C 0.354 176.502 176.094 0.090 0.000 1.038 603 V CA -0.573 61.774 62.300 0.077 0.000 0.887 603 V CB 1.905 33.758 31.823 0.049 0.000 0.991 603 V HN 1.059 nan 8.190 nan 0.000 0.434 604 A N 5.785 128.664 122.820 0.100 0.000 2.301 604 A HA 0.827 5.127 4.320 -0.034 0.000 0.298 604 A C -0.541 177.056 177.584 0.022 0.000 1.185 604 A CA -0.355 51.733 52.037 0.086 0.000 0.830 604 A CB 0.219 19.312 19.000 0.155 0.000 1.112 604 A HN 0.773 nan 8.150 nan 0.000 0.508 605 I N 3.405 123.983 120.570 0.013 0.000 2.354 605 I HA 0.211 4.360 4.170 -0.034 0.000 0.286 605 I C -0.665 175.455 176.117 0.006 0.000 1.007 605 I CA -0.188 61.118 61.300 0.010 0.000 1.167 605 I CB 1.380 39.401 38.000 0.034 0.000 1.320 605 I HN 0.488 nan 8.210 nan 0.000 0.458 606 L N 7.200 128.405 121.223 -0.031 0.000 2.295 606 L HA 0.394 4.713 4.340 -0.034 0.000 0.288 606 L C 0.044 176.991 176.870 0.128 0.000 1.079 606 L CA -0.274 54.587 54.840 0.035 0.000 0.830 606 L CB 0.096 42.017 42.059 -0.231 0.000 1.200 606 L HN 0.440 nan 8.230 nan 0.000 0.438 607 L N 3.576 124.930 121.223 0.217 0.000 2.456 607 L HA 0.329 4.648 4.340 -0.034 0.000 0.257 607 L C 0.094 177.111 176.870 0.245 0.000 1.162 607 L CA -0.388 54.533 54.840 0.135 0.000 0.808 607 L CB 1.070 43.119 42.059 -0.016 0.000 1.136 607 L HN 0.713 nan 8.230 nan 0.000 0.466 608 N N -1.829 116.913 118.700 0.069 0.000 2.629 608 N HA 0.205 4.925 4.740 -0.034 0.000 0.279 608 N C -0.308 175.146 175.510 -0.093 0.000 1.344 608 N CA -0.773 52.360 53.050 0.138 0.000 0.789 608 N CB 0.622 39.206 38.487 0.161 0.000 1.508 608 N HN 0.506 nan 8.380 nan 0.000 0.516 609 D N -1.895 118.496 120.400 -0.015 0.000 2.347 609 D HA -0.014 4.606 4.640 -0.034 0.000 0.215 609 D C -0.356 175.901 176.300 -0.072 0.000 0.976 609 D CA 0.936 54.877 54.000 -0.098 0.000 0.884 609 D CB 0.007 40.820 40.800 0.021 0.000 0.915 609 D HN 0.648 nan 8.370 nan 0.000 0.526 610 E N 0.156 120.334 120.200 -0.037 0.000 3.626 610 E HA 0.250 4.580 4.350 -0.034 0.000 0.245 610 E C -1.298 175.286 176.600 -0.025 0.000 1.236 610 E CA -0.439 55.942 56.400 -0.031 0.000 1.072 610 E CB 1.026 30.718 29.700 -0.013 0.000 1.309 610 E HN -0.085 nan 8.360 nan 0.000 0.400 611 V N 1.989 121.880 119.914 -0.039 0.000 2.655 611 V HA 0.122 4.222 4.120 -0.034 0.000 0.300 611 V C 0.806 176.885 176.094 -0.025 0.000 1.044 611 V CA -0.243 62.041 62.300 -0.026 0.000 1.095 611 V CB 0.671 32.472 31.823 -0.036 0.000 0.952 611 V HN 0.433 nan 8.190 nan 0.000 0.485 612 R N 3.387 123.873 120.500 -0.023 0.000 2.498 612 R HA 0.027 4.347 4.340 -0.034 0.000 0.334 612 R C 1.755 178.035 176.300 -0.033 0.000 1.106 612 R CA 0.708 56.790 56.100 -0.030 0.000 0.995 612 R CB -0.489 29.788 30.300 -0.039 0.000 0.989 612 R HN 0.991 nan 8.270 nan 0.000 0.455 613 S N 1.630 117.312 115.700 -0.030 0.000 2.440 613 S HA -0.257 4.193 4.470 -0.034 0.000 0.240 613 S C 1.834 176.417 174.600 -0.028 0.000 1.014 613 S CA 1.149 59.333 58.200 -0.028 0.000 0.980 613 S CB -0.052 63.133 63.200 -0.025 0.000 0.775 613 S HN 0.556 nan 8.310 nan 0.000 0.499 614 A N 1.506 124.305 122.820 -0.034 0.000 2.014 614 A HA 0.004 4.304 4.320 -0.034 0.000 0.218 614 A C 1.923 179.477 177.584 -0.050 0.000 1.163 614 A CA 1.261 53.275 52.037 -0.038 0.000 0.652 614 A CB -0.455 18.521 19.000 -0.041 0.000 0.808 614 A HN 0.557 nan 8.150 nan 0.000 0.449 615 D N 0.024 120.387 120.400 -0.062 0.000 2.120 615 D HA -0.066 4.554 4.640 -0.034 0.000 0.202 615 D C 1.990 178.267 176.300 -0.038 0.000 0.972 615 D CA 0.607 54.557 54.000 -0.084 0.000 0.837 615 D CB -0.368 40.367 40.800 -0.109 0.000 0.989 615 D HN 0.349 nan 8.370 nan 0.000 0.469 616 L N 0.596 121.806 121.223 -0.022 0.000 2.043 616 L HA -0.195 4.125 4.340 -0.034 0.000 0.212 616 L C 2.498 179.369 176.870 0.002 0.000 1.075 616 L CA 0.988 55.826 54.840 -0.004 0.000 0.752 616 L CB -0.297 41.758 42.059 -0.007 0.000 0.891 616 L HN 0.068 nan 8.230 nan 0.000 0.432 617 L N -0.899 120.320 121.223 -0.007 0.000 2.017 617 L HA -0.190 4.130 4.340 -0.034 0.000 0.208 617 L C 2.830 179.703 176.870 0.004 0.000 1.073 617 L CA 1.250 56.089 54.840 -0.002 0.000 0.745 617 L CB -0.767 41.288 42.059 -0.008 0.000 0.894 617 L HN 0.231 nan 8.230 nan 0.000 0.432 618 A N 0.427 123.246 122.820 -0.002 0.000 1.877 618 A HA -0.194 4.105 4.320 -0.034 0.000 0.216 618 A C 2.248 179.854 177.584 0.036 0.000 1.186 618 A CA 1.673 53.715 52.037 0.009 0.000 0.620 618 A CB -0.756 18.238 19.000 -0.010 0.000 0.822 618 A HN 0.320 nan 8.150 nan 0.000 0.443 619 I N -0.390 120.206 120.570 0.043 0.000 2.069 619 I HA -0.324 3.826 4.170 -0.034 0.000 0.237 619 I C 2.456 178.604 176.117 0.051 0.000 1.053 619 I CA 1.693 63.038 61.300 0.075 0.000 1.311 619 I CB -0.442 37.606 38.000 0.081 0.000 1.030 619 I HN 0.295 nan 8.210 nan 0.000 0.398 620 L N 0.353 121.597 121.223 0.035 0.000 2.141 620 L HA -0.216 4.104 4.340 -0.034 0.000 0.209 620 L C 2.614 179.497 176.870 0.022 0.000 1.094 620 L CA 1.241 56.098 54.840 0.028 0.000 0.763 620 L CB -0.555 41.518 42.059 0.024 0.000 0.908 620 L HN 0.263 nan 8.230 nan 0.000 0.437 621 K N 0.612 121.023 120.400 0.019 0.000 2.026 621 K HA -0.195 4.104 4.320 -0.034 0.000 0.208 621 K C 2.159 178.767 176.600 0.014 0.000 1.048 621 K CA 1.430 57.725 56.287 0.014 0.000 0.929 621 K CB -0.102 32.406 32.500 0.012 0.000 0.713 621 K HN 0.243 nan 8.250 nan 0.000 0.439 622 A N 1.451 124.284 122.820 0.022 0.000 1.902 622 A HA -0.105 4.195 4.320 -0.034 0.000 0.217 622 A C 2.161 179.749 177.584 0.007 0.000 1.181 622 A CA 1.285 53.334 52.037 0.020 0.000 0.623 622 A CB -0.617 18.407 19.000 0.040 0.000 0.818 622 A HN 0.329 nan 8.150 nan 0.000 0.443 623 L N -0.678 120.550 121.223 0.008 0.000 2.017 623 L HA -0.223 4.096 4.340 -0.034 0.000 0.208 623 L C 2.629 179.478 176.870 -0.034 0.000 1.073 623 L CA 2.033 56.866 54.840 -0.012 0.000 0.745 623 L CB -0.475 41.584 42.059 0.001 0.000 0.894 623 L HN 0.487 nan 8.230 nan 0.000 0.432 624 K N 0.604 120.993 120.400 -0.018 0.000 2.152 624 K HA -0.190 4.109 4.320 -0.034 0.000 0.206 624 K C 1.973 178.557 176.600 -0.027 0.000 1.048 624 K CA 1.469 57.744 56.287 -0.021 0.000 0.933 624 K CB -0.129 32.372 32.500 0.001 0.000 0.721 624 K HN 0.271 nan 8.250 nan 0.000 0.447 625 A N 0.526 123.335 122.820 -0.018 0.000 2.014 625 A HA -0.050 4.249 4.320 -0.034 0.000 0.218 625 A C 1.478 179.045 177.584 -0.028 0.000 1.163 625 A CA 1.132 53.158 52.037 -0.018 0.000 0.652 625 A CB -0.123 18.872 19.000 -0.007 0.000 0.808 625 A HN 0.156 nan 8.150 nan 0.000 0.449 626 K N -1.161 119.215 120.400 -0.039 0.000 2.374 626 K HA 0.190 4.490 4.320 -0.034 0.000 0.196 626 K C 0.969 177.521 176.600 -0.081 0.000 1.023 626 K CA 0.629 56.888 56.287 -0.047 0.000 1.103 626 K CB 0.059 32.536 32.500 -0.038 0.000 0.848 626 K HN 0.682 nan 8.250 nan 0.000 0.528 627 G N 1.548 110.283 108.800 -0.107 0.000 2.160 627 G HA2 -0.235 3.705 3.960 -0.034 0.000 0.251 627 G HA3 -0.235 3.705 3.960 -0.034 0.000 0.251 627 G C 0.098 174.792 174.900 -0.343 0.000 1.008 627 G CA 0.253 45.244 45.100 -0.182 0.000 0.724 627 G HN 0.120 nan 8.290 nan 0.000 0.514 628 V N 0.850 120.604 119.914 -0.267 0.000 2.465 628 V HA 0.483 4.583 4.120 -0.034 0.000 0.279 628 V C 0.772 176.693 176.094 -0.287 0.000 1.045 628 V CA -0.679 61.463 62.300 -0.264 0.000 0.938 628 V CB 1.031 32.793 31.823 -0.102 0.000 0.986 628 V HN 0.448 nan 8.190 nan 0.000 0.467 629 H N 1.846 120.928 119.070 0.020 0.000 2.495 629 H HA 0.763 5.298 4.556 -0.034 0.000 0.350 629 H C 0.215 175.562 175.328 0.033 0.000 1.202 629 H CA 0.060 56.123 56.048 0.025 0.000 1.322 629 H CB 1.257 31.036 29.762 0.027 0.000 1.544 629 H HN 0.845 nan 8.280 nan 0.000 0.565 630 A N 1.240 124.162 122.820 0.170 0.000 2.413 630 A HA 0.564 4.864 4.320 -0.034 0.000 0.307 630 A C -1.037 176.606 177.584 0.098 0.000 1.087 630 A CA -1.016 51.087 52.037 0.109 0.000 0.750 630 A CB 1.103 20.148 19.000 0.076 0.000 1.296 630 A HN 0.802 nan 8.150 nan 0.000 0.423 631 K N 2.037 122.488 120.400 0.086 0.000 2.463 631 K HA 0.648 4.947 4.320 -0.034 0.000 0.255 631 K C -1.654 174.981 176.600 0.059 0.000 0.942 631 K CA -0.485 55.847 56.287 0.074 0.000 0.814 631 K CB 1.360 33.913 32.500 0.088 0.000 1.122 631 K HN 0.505 nan 8.250 nan 0.000 0.425 632 L N 4.439 125.688 121.223 0.045 0.000 2.325 632 L HA 0.252 4.571 4.340 -0.034 0.000 0.284 632 L C -0.717 176.175 176.870 0.037 0.000 1.089 632 L CA -0.913 53.948 54.840 0.034 0.000 0.836 632 L CB 0.245 42.314 42.059 0.017 0.000 1.184 632 L HN 0.499 nan 8.230 nan 0.000 0.444 633 L N 4.576 125.833 121.223 0.057 0.000 2.334 633 L HA 0.581 4.900 4.340 -0.034 0.000 0.273 633 L C -0.448 176.439 176.870 0.027 0.000 1.013 633 L CA -0.287 54.579 54.840 0.044 0.000 0.816 633 L CB 1.490 43.608 42.059 0.098 0.000 1.278 633 L HN 0.307 nan 8.230 nan 0.000 0.431 634 Y N -0.468 119.537 120.300 -0.492 0.000 2.829 634 Y HA 0.312 4.842 4.550 -0.034 0.000 0.322 634 Y C 0.921 176.129 175.900 -1.152 0.000 1.357 634 Y CA -0.676 56.983 58.100 -0.734 0.000 1.081 634 Y CB 1.561 39.847 38.460 -0.289 0.000 1.339 634 Y HN 0.562 nan 8.280 nan 0.000 0.469 635 S N 0.572 115.314 115.700 -1.596 0.000 2.593 635 S HA 0.261 4.711 4.470 -0.034 0.000 0.217 635 S C -0.036 174.214 174.600 -0.583 0.000 0.966 635 S CA 0.277 57.870 58.200 -1.011 0.000 0.914 635 S CB -0.220 62.519 63.200 -0.767 0.000 0.776 635 S HN 0.601 nan 8.310 nan 0.000 0.523 636 R N -1.212 119.013 120.500 -0.458 0.000 2.752 636 R HA 0.633 4.952 4.340 -0.034 0.000 0.271 636 R C -0.676 175.597 176.300 -0.044 0.000 1.026 636 R CA -1.088 54.909 56.100 -0.171 0.000 0.901 636 R CB 0.480 30.718 30.300 -0.103 0.000 1.243 636 R HN -0.085 nan 8.270 nan 0.000 0.463 637 M N 0.213 119.800 119.600 -0.022 0.000 1.960 637 M HA 0.499 4.959 4.480 -0.034 0.000 0.229 637 M C 1.093 177.411 176.300 0.031 0.000 1.234 637 M CA 0.987 56.290 55.300 0.005 0.000 0.952 637 M CB 0.271 32.868 32.600 -0.006 0.000 1.294 637 M HN 1.049 nan 8.290 nan 0.000 0.514 638 G N 0.618 109.430 108.800 0.020 0.000 2.662 638 G HA2 -0.132 3.807 3.960 -0.034 0.000 0.236 638 G HA3 -0.132 3.807 3.960 -0.034 0.000 0.236 638 G C -0.838 174.066 174.900 0.007 0.000 1.212 638 G CA 0.103 45.213 45.100 0.016 0.000 0.968 638 G HN 0.923 nan 8.290 nan 0.000 0.576 639 E N -1.249 118.949 120.200 -0.003 0.000 2.412 639 E HA 0.645 4.974 4.350 -0.034 0.000 0.279 639 E C -0.519 176.030 176.600 -0.084 0.000 0.984 639 E CA -0.687 55.689 56.400 -0.040 0.000 0.788 639 E CB 2.352 32.033 29.700 -0.032 0.000 1.277 639 E HN 1.649 nan 8.360 nan 0.000 0.455 640 V N -1.953 117.871 119.914 -0.150 0.000 3.113 640 V HA 0.814 4.913 4.120 -0.034 0.000 0.316 640 V C -0.543 175.473 176.094 -0.130 0.000 1.125 640 V CA -0.625 61.549 62.300 -0.209 0.000 1.026 640 V CB 1.830 33.398 31.823 -0.425 0.000 1.080 640 V HN 0.765 nan 8.190 nan 0.000 0.444 641 T N 1.878 116.365 114.554 -0.111 0.000 2.841 641 T HA 0.783 5.113 4.350 -0.034 0.000 0.285 641 T C 0.139 174.799 174.700 -0.067 0.000 0.991 641 T CA 0.237 62.294 62.100 -0.071 0.000 0.966 641 T CB 1.301 70.140 68.868 -0.049 0.000 0.962 641 T HN 1.355 nan 8.240 nan 0.000 0.438 642 A N 2.376 125.163 122.820 -0.055 0.000 2.327 642 A HA 0.359 4.658 4.320 -0.034 0.000 0.255 642 A C 1.638 179.201 177.584 -0.035 0.000 1.099 642 A CA -0.145 51.864 52.037 -0.046 0.000 0.801 642 A CB 0.058 19.035 19.000 -0.039 0.000 1.062 642 A HN 0.932 nan 8.150 nan 0.000 0.496 643 D N 0.452 120.834 120.400 -0.030 0.000 2.133 643 D HA -0.261 4.358 4.640 -0.034 0.000 0.192 643 D C 0.897 177.185 176.300 -0.021 0.000 1.001 643 D CA 1.918 55.904 54.000 -0.023 0.000 0.844 643 D CB -0.655 40.132 40.800 -0.022 0.000 0.944 643 D HN 0.647 nan 8.370 nan 0.000 0.447 644 D N -0.814 119.573 120.400 -0.021 0.000 2.348 644 D HA 0.065 4.685 4.640 -0.034 0.000 0.216 644 D C 1.729 178.018 176.300 -0.018 0.000 0.970 644 D CA 1.198 55.187 54.000 -0.018 0.000 0.889 644 D CB -0.408 40.381 40.800 -0.018 0.000 0.912 644 D HN 0.547 nan 8.370 nan 0.000 0.524 645 G N -0.683 108.104 108.800 -0.021 0.000 2.148 645 G HA2 -0.220 3.719 3.960 -0.034 0.000 0.203 645 G HA3 -0.220 3.719 3.960 -0.034 0.000 0.203 645 G C 0.230 175.116 174.900 -0.023 0.000 0.993 645 G CA 0.095 45.182 45.100 -0.021 0.000 0.661 645 G HN 0.427 nan 8.290 nan 0.000 0.518 646 T N 0.919 115.458 114.554 -0.025 0.000 2.916 646 T HA 0.413 4.742 4.350 -0.034 0.000 0.303 646 T C 0.632 175.313 174.700 -0.031 0.000 1.025 646 T CA 0.062 62.148 62.100 -0.024 0.000 1.142 646 T CB 2.158 71.012 68.868 -0.023 0.000 0.947 646 T HN 0.369 nan 8.240 nan 0.000 0.544 647 V N 5.812 125.709 119.914 -0.027 0.000 2.368 647 V HA 0.261 4.361 4.120 -0.034 0.000 0.266 647 V C 0.086 176.160 176.094 -0.034 0.000 1.045 647 V CA -0.459 61.822 62.300 -0.033 0.000 0.899 647 V CB 0.328 32.136 31.823 -0.025 0.000 1.006 647 V HN 0.649 nan 8.190 nan 0.000 0.470 648 L N 8.910 130.104 121.223 -0.049 0.000 2.262 648 L HA 0.439 4.759 4.340 -0.034 0.000 0.288 648 L C -2.181 174.659 176.870 -0.049 0.000 1.035 648 L CA -1.773 53.038 54.840 -0.048 0.000 0.820 648 L CB 1.320 43.339 42.059 -0.067 0.000 1.204 648 L HN 0.396 nan 8.230 nan 0.000 0.424 649 P HA 0.184 nan 4.420 nan 0.000 0.271 649 P C -0.474 176.817 177.300 -0.014 0.000 1.220 649 P CA 0.018 63.107 63.100 -0.018 0.000 0.768 649 P CB 1.007 32.703 31.700 -0.006 0.000 0.848 650 I N 2.440 123.005 120.570 -0.009 0.000 2.331 650 I HA 0.231 4.381 4.170 -0.034 0.000 0.292 650 I C 1.537 177.659 176.117 0.009 0.000 0.998 650 I CA -0.293 61.009 61.300 0.003 0.000 1.267 650 I CB 1.430 39.444 38.000 0.023 0.000 1.386 650 I HN 0.351 nan 8.210 nan 0.000 0.476 651 A N 5.046 127.875 122.820 0.015 0.000 1.975 651 A HA 0.642 4.941 4.320 -0.034 0.000 0.215 651 A C 0.963 178.558 177.584 0.019 0.000 1.170 651 A CA 1.144 53.193 52.037 0.020 0.000 0.656 651 A CB 0.041 19.059 19.000 0.031 0.000 0.821 651 A HN 0.796 nan 8.150 nan 0.000 0.449 652 A N -1.960 120.868 122.820 0.014 0.000 2.564 652 A HA 0.598 4.897 4.320 -0.034 0.000 0.291 652 A C -0.015 177.544 177.584 -0.041 0.000 1.102 652 A CA 0.143 52.185 52.037 0.008 0.000 0.660 652 A CB -0.210 18.818 19.000 0.046 0.000 1.283 652 A HN 0.725 nan 8.150 nan 0.000 0.430 653 T N -2.005 112.515 114.554 -0.056 0.000 2.862 653 T HA 0.597 4.927 4.350 -0.034 0.000 0.276 653 T C 0.932 175.618 174.700 -0.023 0.000 0.974 653 T CA -0.027 61.968 62.100 -0.175 0.000 0.966 653 T CB 0.190 68.963 68.868 -0.159 0.000 1.072 653 T HN 0.449 nan 8.240 nan 0.000 0.538 654 F N 0.317 120.282 119.950 0.025 0.000 2.102 654 F HA 0.006 4.512 4.527 -0.034 0.000 0.298 654 F C 3.030 178.960 175.800 0.216 0.000 1.105 654 F CA 0.799 58.866 58.000 0.112 0.000 1.239 654 F CB -0.558 38.480 39.000 0.064 0.000 0.991 654 F HN 0.688 nan 8.300 nan 0.000 0.474 655 A N 0.280 123.271 122.820 0.286 0.000 1.968 655 A HA 0.015 4.315 4.320 -0.034 0.000 0.217 655 A C 2.388 180.050 177.584 0.131 0.000 1.169 655 A CA 1.462 53.609 52.037 0.183 0.000 0.638 655 A CB -1.389 17.672 19.000 0.101 0.000 0.812 655 A HN 0.392 nan 8.150 nan 0.000 0.446 656 G N -1.131 107.733 108.800 0.107 0.000 2.484 656 G HA2 0.302 4.241 3.960 -0.034 0.000 0.218 656 G HA3 0.302 4.241 3.960 -0.034 0.000 0.218 656 G C 0.610 175.569 174.900 0.099 0.000 1.130 656 G CA 0.952 46.097 45.100 0.075 0.000 0.784 656 G HN 1.085 nan 8.290 nan 0.000 0.543 657 A N 0.976 123.894 122.820 0.164 0.000 3.216 657 A HA 0.660 4.960 4.320 -0.034 0.000 0.321 657 A C -2.616 175.140 177.584 0.286 0.000 1.042 657 A CA -1.125 51.023 52.037 0.184 0.000 0.838 657 A CB 1.167 20.270 19.000 0.172 0.000 1.136 657 A HN 0.107 nan 8.150 nan 0.000 0.483 658 P HA 0.012 nan 4.420 nan 0.000 0.269 658 P C 1.337 178.481 177.300 -0.260 0.000 1.217 658 P CA 0.575 63.643 63.100 -0.053 0.000 0.783 658 P CB 0.790 32.443 31.700 -0.078 0.000 0.898 659 S N 1.525 116.654 115.700 -0.951 0.000 2.420 659 S HA -0.197 4.253 4.470 -0.034 0.000 0.237 659 S C 1.861 176.311 174.600 -0.250 0.000 1.023 659 S CA 1.274 59.055 58.200 -0.699 0.000 0.991 659 S CB -1.456 61.238 63.200 -0.843 0.000 0.792 659 S HN 0.402 nan 8.310 nan 0.000 0.488 660 L N 1.872 122.967 121.223 -0.213 0.000 2.189 660 L HA -0.102 4.218 4.340 -0.034 0.000 0.214 660 L C 2.941 179.680 176.870 -0.218 0.000 1.097 660 L CA 1.602 56.322 54.840 -0.200 0.000 0.764 660 L CB -1.444 40.475 42.059 -0.232 0.000 0.900 660 L HN 0.653 nan 8.230 nan 0.000 0.436 661 T N -3.261 111.244 114.554 -0.082 0.000 3.100 661 T HA 0.195 4.524 4.350 -0.034 0.000 0.253 661 T C 0.454 175.271 174.700 0.194 0.000 1.118 661 T CA 0.187 62.342 62.100 0.091 0.000 1.058 661 T CB -0.316 68.658 68.868 0.177 0.000 0.953 661 T HN 0.152 nan 8.240 nan 0.000 0.515 662 V N -2.237 117.748 119.914 0.118 0.000 2.960 662 V HA 0.557 4.656 4.120 -0.034 0.000 0.315 662 V C -0.011 176.135 176.094 0.086 0.000 1.087 662 V CA -0.991 61.391 62.300 0.136 0.000 0.982 662 V CB 2.173 34.088 31.823 0.153 0.000 1.039 662 V HN -0.000 nan 8.190 nan 0.000 0.437 663 D N 1.246 121.698 120.400 0.087 0.000 2.333 663 D HA 0.429 5.049 4.640 -0.034 0.000 0.208 663 D C 0.590 176.883 176.300 -0.012 0.000 0.984 663 D CA 1.543 55.570 54.000 0.044 0.000 0.873 663 D CB 1.370 42.218 40.800 0.080 0.000 0.935 663 D HN 0.946 nan 8.370 nan 0.000 0.521 664 A N 0.072 122.899 122.820 0.012 0.000 2.610 664 A HA 0.542 4.842 4.320 -0.034 0.000 0.291 664 A C -1.538 176.061 177.584 0.025 0.000 1.086 664 A CA -0.536 51.491 52.037 -0.017 0.000 0.677 664 A CB 1.681 20.656 19.000 -0.042 0.000 1.278 664 A HN -0.099 nan 8.150 nan 0.000 0.414 665 V N 1.217 121.136 119.914 0.009 0.000 2.531 665 V HA 0.532 4.632 4.120 -0.034 0.000 0.301 665 V C -0.773 175.316 176.094 -0.008 0.000 1.034 665 V CA -0.159 62.158 62.300 0.030 0.000 0.865 665 V CB 1.441 33.305 31.823 0.069 0.000 0.995 665 V HN 0.675 nan 8.190 nan 0.000 0.424 666 I N 4.730 125.302 120.570 0.003 0.000 2.465 666 I HA 0.563 4.713 4.170 -0.034 0.000 0.291 666 I C -0.839 175.296 176.117 0.029 0.000 1.014 666 I CA -0.934 60.389 61.300 0.038 0.000 1.093 666 I CB 2.216 40.268 38.000 0.087 0.000 1.267 666 I HN 0.270 nan 8.210 nan 0.000 0.431 667 V N 7.483 127.432 119.914 0.058 0.000 2.349 667 V HA 0.350 4.449 4.120 -0.034 0.000 0.284 667 V C -2.211 173.939 176.094 0.094 0.000 1.014 667 V CA -1.643 60.679 62.300 0.037 0.000 0.826 667 V CB 1.262 33.072 31.823 -0.022 0.000 1.009 667 V HN 0.551 nan 8.190 nan 0.000 0.431 668 P HA 0.240 nan 4.420 nan 0.000 0.276 668 P C 0.177 177.495 177.300 0.030 0.000 1.252 668 P CA -0.241 62.877 63.100 0.030 0.000 0.802 668 P CB 1.174 32.882 31.700 0.013 0.000 1.035 669 C N 0.574 119.869 119.300 -0.007 0.000 2.705 669 C HA 0.750 5.189 4.460 -0.034 0.000 0.311 669 C C 1.372 176.367 174.990 0.008 0.000 1.576 669 C CA 1.452 60.473 59.018 0.004 0.000 2.161 669 C CB -0.566 27.160 27.740 -0.024 0.000 2.032 669 C HN 0.915 nan 8.230 nan 0.000 0.616 670 G N 1.379 110.183 108.800 0.007 0.000 2.217 670 G HA2 -0.008 3.932 3.960 -0.034 0.000 0.126 670 G HA3 -0.008 3.932 3.960 -0.034 0.000 0.126 670 G C -0.889 174.019 174.900 0.014 0.000 1.293 670 G CA 0.144 45.247 45.100 0.005 0.000 1.219 670 G HN 0.936 nan 8.290 nan 0.000 0.477 671 N N 1.950 120.665 118.700 0.024 0.000 3.034 671 N HA 0.302 5.022 4.740 -0.034 0.000 0.265 671 N C 1.642 177.186 175.510 0.057 0.000 1.166 671 N CA -0.547 52.522 53.050 0.032 0.000 1.081 671 N CB -0.152 38.353 38.487 0.031 0.000 1.378 671 N HN 0.366 nan 8.380 nan 0.000 0.520 672 I N 1.079 121.676 120.570 0.046 0.000 2.423 672 I HA -0.207 3.943 4.170 -0.034 0.000 0.254 672 I C 2.033 178.167 176.117 0.029 0.000 1.151 672 I CA 0.712 62.046 61.300 0.056 0.000 1.421 672 I CB -1.509 36.492 38.000 0.002 0.000 1.079 672 I HN 0.479 nan 8.210 nan 0.000 0.431 673 A N 0.524 123.348 122.820 0.008 0.000 2.024 673 A HA -0.271 4.029 4.320 -0.034 0.000 0.220 673 A C 2.086 179.697 177.584 0.045 0.000 1.164 673 A CA 1.988 54.026 52.037 0.002 0.000 0.643 673 A CB -0.700 18.299 19.000 -0.003 0.000 0.806 673 A HN 0.409 nan 8.150 nan 0.000 0.451 674 D N 0.233 120.683 120.400 0.083 0.000 2.182 674 D HA -0.146 4.474 4.640 -0.034 0.000 0.201 674 D C 1.524 177.924 176.300 0.167 0.000 0.986 674 D CA 1.741 55.819 54.000 0.129 0.000 0.847 674 D CB -0.160 40.745 40.800 0.175 0.000 0.942 674 D HN 0.666 nan 8.370 nan 0.000 0.467 675 I N -4.291 116.398 120.570 0.199 0.000 4.327 675 I HA 0.474 4.623 4.170 -0.034 0.000 0.331 675 I C 1.787 178.068 176.117 0.273 0.000 1.348 675 I CA -0.120 61.340 61.300 0.267 0.000 1.152 675 I CB 0.183 38.400 38.000 0.362 0.000 1.151 675 I HN -0.113 nan 8.210 nan 0.000 0.410 676 A N 1.318 124.198 122.820 0.099 0.000 2.070 676 A HA -0.119 4.181 4.320 -0.034 0.000 0.220 676 A C 1.570 179.141 177.584 -0.023 0.000 1.159 676 A CA 1.763 53.719 52.037 -0.134 0.000 0.656 676 A CB -0.442 18.385 19.000 -0.287 0.000 0.800 676 A HN 0.515 nan 8.150 nan 0.000 0.453 677 D N -0.681 119.743 120.400 0.039 0.000 2.395 677 D HA 0.015 4.635 4.640 -0.034 0.000 0.213 677 D C -0.071 176.276 176.300 0.078 0.000 1.110 677 D CA -0.162 53.864 54.000 0.043 0.000 0.835 677 D CB -0.108 40.705 40.800 0.022 0.000 0.965 677 D HN 0.305 nan 8.370 nan 0.000 0.505 678 N N 1.261 120.034 118.700 0.121 0.000 2.405 678 N HA 0.023 4.742 4.740 -0.034 0.000 0.260 678 N C 1.353 176.933 175.510 0.117 0.000 1.152 678 N CA 0.021 53.147 53.050 0.128 0.000 0.948 678 N CB 1.424 40.022 38.487 0.184 0.000 1.111 678 N HN -0.006 nan 8.380 nan 0.000 0.485 679 G N 3.372 112.230 108.800 0.096 0.000 2.442 679 G HA2 -0.266 3.673 3.960 -0.034 0.000 0.219 679 G HA3 -0.266 3.673 3.960 -0.034 0.000 0.219 679 G C 1.010 175.979 174.900 0.116 0.000 1.141 679 G CA 0.553 45.708 45.100 0.091 0.000 0.763 679 G HN 0.573 nan 8.290 nan 0.000 0.554 680 D N 0.846 121.324 120.400 0.131 0.000 2.117 680 D HA -0.002 4.617 4.640 -0.034 0.000 0.197 680 D C 2.821 179.144 176.300 0.038 0.000 0.987 680 D CA 1.196 55.302 54.000 0.177 0.000 0.829 680 D CB -0.448 40.524 40.800 0.286 0.000 0.961 680 D HN 0.302 nan 8.370 nan 0.000 0.460 681 A N 1.068 123.789 122.820 -0.166 0.000 1.902 681 A HA -0.186 4.113 4.320 -0.034 0.000 0.217 681 A C 2.021 179.423 177.584 -0.303 0.000 1.181 681 A CA 1.301 53.005 52.037 -0.556 0.000 0.623 681 A CB -0.459 18.260 19.000 -0.469 0.000 0.818 681 A HN 0.143 nan 8.150 nan 0.000 0.443 682 N N -1.506 117.174 118.700 -0.033 0.000 2.120 682 N HA -0.172 4.548 4.740 -0.034 0.000 0.188 682 N C 1.673 177.185 175.510 0.002 0.000 1.024 682 N CA 1.695 54.769 53.050 0.041 0.000 0.852 682 N CB -0.512 38.061 38.487 0.145 0.000 1.003 682 N HN 0.687 nan 8.380 nan 0.000 0.424 683 Y N 0.496 120.773 120.300 -0.038 0.000 2.224 683 Y HA -0.279 4.250 4.550 -0.034 0.000 0.289 683 Y C 2.405 178.265 175.900 -0.067 0.000 1.146 683 Y CA 1.302 59.374 58.100 -0.046 0.000 1.182 683 Y CB -0.330 38.111 38.460 -0.031 0.000 0.983 683 Y HN 0.016 nan 8.280 nan 0.000 0.524 684 Y N 0.369 120.538 120.300 -0.218 0.000 2.114 684 Y HA -0.324 4.206 4.550 -0.034 0.000 0.282 684 Y C 2.058 177.757 175.900 -0.334 0.000 1.165 684 Y CA 2.124 60.058 58.100 -0.276 0.000 1.148 684 Y CB -0.461 37.819 38.460 -0.299 0.000 0.972 684 Y HN 0.119 nan 8.280 nan 0.000 0.504 685 L N -1.246 119.891 121.223 -0.143 0.000 2.109 685 L HA -0.223 4.097 4.340 -0.034 0.000 0.207 685 L C 2.364 179.114 176.870 -0.200 0.000 1.086 685 L CA 1.208 55.949 54.840 -0.165 0.000 0.760 685 L CB -0.494 41.435 42.059 -0.217 0.000 0.910 685 L HN 0.266 nan 8.230 nan 0.000 0.437 686 M N -0.558 118.871 119.600 -0.286 0.000 2.175 686 M HA -0.202 4.258 4.480 -0.034 0.000 0.264 686 M C 2.212 178.269 176.300 -0.406 0.000 1.063 686 M CA 1.605 56.732 55.300 -0.287 0.000 1.119 686 M CB -0.332 32.108 32.600 -0.267 0.000 1.377 686 M HN 0.209 nan 8.290 nan 0.000 0.415 687 E N 0.702 120.475 120.200 -0.712 0.000 2.031 687 E HA -0.193 4.137 4.350 -0.034 0.000 0.193 687 E C 2.042 178.301 176.600 -0.569 0.000 0.994 687 E CA 1.380 57.321 56.400 -0.765 0.000 0.800 687 E CB -0.016 29.189 29.700 -0.824 0.000 0.752 687 E HN 0.463 nan 8.360 nan 0.000 0.447 688 A N 0.236 122.829 122.820 -0.378 0.000 1.940 688 A HA -0.223 4.076 4.320 -0.034 0.000 0.219 688 A C 2.046 179.531 177.584 -0.164 0.000 1.176 688 A CA 1.598 53.503 52.037 -0.220 0.000 0.631 688 A CB -0.918 18.004 19.000 -0.129 0.000 0.814 688 A HN 0.561 nan 8.150 nan 0.000 0.446 689 Y N 0.547 120.691 120.300 -0.261 0.000 2.114 689 Y HA -0.223 4.307 4.550 -0.034 0.000 0.284 689 Y C 2.418 178.192 175.900 -0.210 0.000 1.143 689 Y CA 2.366 60.341 58.100 -0.207 0.000 1.135 689 Y CB -0.381 37.972 38.460 -0.178 0.000 0.980 689 Y HN 0.341 nan 8.280 nan 0.000 0.499 690 K N -0.569 119.711 120.400 -0.201 0.000 2.074 690 K HA -0.260 4.040 4.320 -0.034 0.000 0.209 690 K C 1.147 177.619 176.600 -0.213 0.000 1.048 690 K CA 2.243 58.376 56.287 -0.256 0.000 0.926 690 K CB -0.531 31.754 32.500 -0.359 0.000 0.713 690 K HN 0.599 nan 8.250 nan 0.000 0.444 691 H N 0.459 119.406 119.070 -0.205 0.000 2.592 691 H HA 0.171 4.707 4.556 -0.033 0.000 0.291 691 H C -0.101 175.063 175.328 -0.274 0.000 1.052 691 H CA 0.176 56.098 56.048 -0.210 0.000 1.175 691 H CB -0.055 29.582 29.762 -0.209 0.000 1.378 691 H HN 0.147 nan 8.280 nan 0.000 0.576 692 L N -0.140 120.936 121.223 -0.245 0.000 4.040 692 L HA -0.299 4.020 4.340 -0.034 0.000 0.410 692 L C -0.347 176.262 176.870 -0.434 0.000 1.187 692 L CA 0.697 55.299 54.840 -0.397 0.000 0.956 692 L CB -1.791 40.008 42.059 -0.434 0.000 2.022 692 L HN 0.333 nan 8.230 nan 0.000 0.897 693 K N 0.678 120.892 120.400 -0.310 0.000 2.118 693 K HA 0.496 4.795 4.320 -0.034 0.000 0.267 693 K C -2.191 174.280 176.600 -0.215 0.000 0.991 693 K CA -1.866 54.260 56.287 -0.268 0.000 0.916 693 K CB 0.686 33.080 32.500 -0.176 0.000 1.041 693 K HN -0.212 nan 8.250 nan 0.000 0.455 694 P HA 0.069 nan 4.420 nan 0.000 0.267 694 P C -0.811 176.423 177.300 -0.111 0.000 1.209 694 P CA 0.340 63.342 63.100 -0.162 0.000 0.763 694 P CB 0.369 31.971 31.700 -0.162 0.000 0.816 695 I N 2.420 122.936 120.570 -0.090 0.000 2.465 695 I HA 0.612 4.761 4.170 -0.034 0.000 0.291 695 I C -0.145 175.920 176.117 -0.087 0.000 1.014 695 I CA -0.731 60.533 61.300 -0.060 0.000 1.093 695 I CB 2.044 40.035 38.000 -0.014 0.000 1.267 695 I HN 0.262 nan 8.210 nan 0.000 0.431 696 A N 7.643 130.414 122.820 -0.082 0.000 2.330 696 A HA 0.870 5.170 4.320 -0.034 0.000 0.313 696 A C -1.073 176.582 177.584 0.118 0.000 1.124 696 A CA -0.447 51.514 52.037 -0.126 0.000 0.774 696 A CB 0.875 19.640 19.000 -0.392 0.000 1.198 696 A HN 0.664 nan 8.150 nan 0.000 0.465 697 L N 2.427 123.784 121.223 0.223 0.000 2.342 697 L HA 0.673 4.993 4.340 -0.034 0.000 0.276 697 L C 0.353 177.420 176.870 0.328 0.000 0.997 697 L CA -0.503 54.493 54.840 0.259 0.000 0.838 697 L CB 1.784 43.943 42.059 0.165 0.000 1.224 697 L HN 0.755 nan 8.230 nan 0.000 0.416 698 A N 2.364 125.303 122.820 0.198 0.000 2.290 698 A HA 0.785 5.084 4.320 -0.034 0.000 0.310 698 A C 0.928 178.499 177.584 -0.021 0.000 1.202 698 A CA 0.398 52.404 52.037 -0.053 0.000 0.837 698 A CB 0.868 19.670 19.000 -0.330 0.000 1.139 698 A HN 0.987 nan 8.150 nan 0.000 0.509 699 G N 2.285 111.061 108.800 -0.041 0.000 2.672 699 G HA2 -0.379 3.560 3.960 -0.034 0.000 0.332 699 G HA3 -0.379 3.560 3.960 -0.034 0.000 0.332 699 G C 0.563 175.465 174.900 0.003 0.000 1.213 699 G CA 1.026 46.111 45.100 -0.025 0.000 0.980 699 G HN 0.696 nan 8.290 nan 0.000 0.548 700 D N 1.795 122.196 120.400 0.000 0.000 2.378 700 D HA 0.361 4.981 4.640 -0.034 0.000 0.227 700 D C 2.391 178.704 176.300 0.022 0.000 1.012 700 D CA 1.282 55.281 54.000 -0.003 0.000 0.905 700 D CB -0.461 40.331 40.800 -0.013 0.000 0.895 700 D HN 0.710 nan 8.370 nan 0.000 0.532 701 A N 0.287 123.156 122.820 0.082 0.000 2.119 701 A HA -0.092 4.208 4.320 -0.034 0.000 0.217 701 A C 2.000 179.704 177.584 0.199 0.000 1.153 701 A CA 0.453 52.611 52.037 0.203 0.000 0.692 701 A CB -0.232 18.889 19.000 0.201 0.000 0.799 701 A HN 0.096 nan 8.150 nan 0.000 0.458 702 R N -0.597 119.961 120.500 0.097 0.000 2.293 702 R HA -0.074 4.246 4.340 -0.034 0.000 0.219 702 R C 1.423 177.733 176.300 0.018 0.000 1.091 702 R CA 1.059 57.201 56.100 0.070 0.000 1.004 702 R CB -0.098 30.230 30.300 0.046 0.000 0.865 702 R HN 0.255 nan 8.270 nan 0.000 0.469 703 K N -0.149 120.217 120.400 -0.056 0.000 2.283 703 K HA -0.065 4.235 4.320 -0.034 0.000 0.202 703 K C 1.131 177.605 176.600 -0.210 0.000 1.048 703 K CA 1.089 57.279 56.287 -0.162 0.000 0.948 703 K CB -0.109 32.233 32.500 -0.264 0.000 0.742 703 K HN 0.120 nan 8.250 nan 0.000 0.458 704 F N 0.924 120.851 119.950 -0.038 0.000 2.451 704 F HA -0.095 4.411 4.527 -0.034 0.000 0.299 704 F C 1.697 177.450 175.800 -0.079 0.000 1.101 704 F CA 0.754 58.719 58.000 -0.058 0.000 1.436 704 F CB -0.033 38.931 39.000 -0.059 0.000 1.074 704 F HN -0.048 nan 8.300 nan 0.000 0.553 705 K N 0.309 120.750 120.400 0.069 0.000 2.113 705 K HA -0.235 4.064 4.320 -0.034 0.000 0.208 705 K C 2.327 178.899 176.600 -0.047 0.000 1.047 705 K CA 1.253 57.536 56.287 -0.007 0.000 0.928 705 K CB -0.393 32.101 32.500 -0.010 0.000 0.716 705 K HN 0.282 nan 8.250 nan 0.000 0.446 706 A N 0.662 123.459 122.820 -0.040 0.000 1.933 706 A HA -0.148 4.151 4.320 -0.034 0.000 0.218 706 A C 2.176 179.730 177.584 -0.049 0.000 1.175 706 A CA 1.945 53.952 52.037 -0.050 0.000 0.628 706 A CB -0.838 18.131 19.000 -0.052 0.000 0.814 706 A HN 0.248 nan 8.150 nan 0.000 0.444 707 T N 0.672 115.216 114.554 -0.017 0.000 2.803 707 T HA -0.098 4.232 4.350 -0.034 0.000 0.269 707 T C 1.378 176.020 174.700 -0.097 0.000 1.052 707 T CA 1.578 63.672 62.100 -0.011 0.000 1.136 707 T CB -0.479 68.438 68.868 0.082 0.000 0.864 707 T HN 0.715 nan 8.240 nan 0.000 0.467 708 I N -2.708 117.753 120.570 -0.182 0.000 3.877 708 I HA 0.421 4.571 4.170 -0.034 0.000 0.332 708 I C -0.432 175.436 176.117 -0.414 0.000 1.525 708 I CA -0.627 60.424 61.300 -0.415 0.000 1.146 708 I CB 0.050 37.643 38.000 -0.678 0.000 1.137 708 I HN -0.220 nan 8.210 nan 0.000 0.424 709 K N 2.591 122.867 120.400 -0.206 0.000 3.777 709 K HA -0.115 4.185 4.320 -0.034 0.000 0.276 709 K C -0.452 176.075 176.600 -0.120 0.000 0.877 709 K CA 0.744 56.954 56.287 -0.129 0.000 0.724 709 K CB -1.381 31.068 32.500 -0.086 0.000 1.589 709 K HN 0.617 nan 8.250 nan 0.000 0.444 710 I N 0.940 121.442 120.570 -0.114 0.000 2.353 710 I HA 0.219 4.369 4.170 -0.034 0.000 0.293 710 I C 1.174 177.272 176.117 -0.031 0.000 0.992 710 I CA -0.604 60.656 61.300 -0.067 0.000 1.268 710 I CB 1.471 39.426 38.000 -0.074 0.000 1.387 710 I HN 0.347 nan 8.210 nan 0.000 0.478 711 A N 4.732 127.545 122.820 -0.012 0.000 2.475 711 A HA 0.011 4.310 4.320 -0.034 0.000 0.239 711 A C 0.991 178.572 177.584 -0.005 0.000 1.087 711 A CA -0.083 51.950 52.037 -0.006 0.000 0.779 711 A CB 0.120 19.121 19.000 0.003 0.000 1.036 711 A HN 0.810 nan 8.150 nan 0.000 0.506 712 D N 0.071 120.469 120.400 -0.004 0.000 2.144 712 D HA -0.181 4.438 4.640 -0.034 0.000 0.199 712 D C 2.030 178.332 176.300 0.003 0.000 0.984 712 D CA 1.995 55.993 54.000 -0.002 0.000 0.834 712 D CB -0.185 40.614 40.800 -0.003 0.000 0.955 712 D HN 0.840 nan 8.370 nan 0.000 0.465 713 Q N 0.374 120.176 119.800 0.005 0.000 2.436 713 Q HA 0.188 4.507 4.340 -0.034 0.000 0.209 713 Q C 0.950 176.956 176.000 0.009 0.000 0.965 713 Q CA 0.824 56.631 55.803 0.007 0.000 0.910 713 Q CB 0.155 28.897 28.738 0.007 0.000 0.980 713 Q HN 0.105 nan 8.270 nan 0.000 0.491 714 G N 0.356 109.161 108.800 0.009 0.000 2.631 714 G HA2 -0.201 3.738 3.960 -0.034 0.000 0.504 714 G HA3 -0.201 3.738 3.960 -0.034 0.000 0.504 714 G C -1.483 173.425 174.900 0.013 0.000 1.306 714 G CA -0.249 44.858 45.100 0.011 0.000 0.897 714 G HN 0.353 nan 8.290 nan 0.000 0.520 715 E N -0.574 119.635 120.200 0.015 0.000 2.352 715 E HA 0.390 4.719 4.350 -0.034 0.000 0.280 715 E C -0.616 175.986 176.600 0.004 0.000 0.930 715 E CA -0.803 55.609 56.400 0.020 0.000 0.765 715 E CB 1.173 30.902 29.700 0.048 0.000 1.219 715 E HN 0.454 nan 8.360 nan 0.000 0.434 716 E N 1.129 121.324 120.200 -0.008 0.000 2.415 716 E HA 0.214 4.544 4.350 -0.034 0.000 0.263 716 E C 0.676 177.246 176.600 -0.051 0.000 0.995 716 E CA 1.364 57.745 56.400 -0.031 0.000 0.915 716 E CB 1.222 30.901 29.700 -0.036 0.000 0.951 716 E HN 0.877 nan 8.360 nan 0.000 0.449 717 G N 2.836 111.592 108.800 -0.073 0.000 2.253 717 G HA2 -0.189 3.751 3.960 -0.034 0.000 0.209 717 G HA3 -0.189 3.751 3.960 -0.034 0.000 0.209 717 G C 0.109 174.963 174.900 -0.076 0.000 0.997 717 G CA -0.441 44.596 45.100 -0.105 0.000 0.640 717 G HN 0.408 nan 8.290 nan 0.000 0.496 718 I N 2.565 123.112 120.570 -0.039 0.000 2.354 718 I HA 0.470 4.620 4.170 -0.034 0.000 0.286 718 I C 0.437 176.519 176.117 -0.059 0.000 1.007 718 I CA -0.977 60.306 61.300 -0.028 0.000 1.167 718 I CB 1.233 39.244 38.000 0.020 0.000 1.320 718 I HN -0.081 nan 8.210 nan 0.000 0.458 719 V N 7.226 127.067 119.914 -0.123 0.000 2.498 719 V HA 0.382 4.481 4.120 -0.034 0.000 0.279 719 V C 0.237 176.293 176.094 -0.062 0.000 1.048 719 V CA -0.445 61.740 62.300 -0.193 0.000 0.967 719 V CB 1.081 32.617 31.823 -0.478 0.000 0.988 719 V HN 0.872 nan 8.190 nan 0.000 0.473 720 E N 3.990 124.232 120.200 0.070 0.000 2.321 720 E HA 0.832 5.162 4.350 -0.034 0.000 0.281 720 E C -1.053 175.695 176.600 0.245 0.000 0.910 720 E CA -0.887 55.637 56.400 0.207 0.000 0.770 720 E CB 2.308 32.074 29.700 0.109 0.000 1.225 720 E HN 0.802 nan 8.360 nan 0.000 0.417 721 A N 2.384 125.372 122.820 0.279 0.000 2.610 721 A HA 0.422 4.722 4.320 -0.034 0.000 0.291 721 A C -0.351 177.247 177.584 0.022 0.000 1.086 721 A CA -0.654 51.472 52.037 0.149 0.000 0.677 721 A CB 1.423 20.547 19.000 0.208 0.000 1.278 721 A HN 0.596 nan 8.150 nan 0.000 0.414 722 D N 0.473 120.868 120.400 -0.009 0.000 2.117 722 D HA -0.001 4.618 4.640 -0.034 0.000 0.197 722 D C 1.175 177.414 176.300 -0.101 0.000 0.987 722 D CA 2.420 56.396 54.000 -0.039 0.000 0.829 722 D CB 0.099 40.882 40.800 -0.029 0.000 0.961 722 D HN 0.740 nan 8.370 nan 0.000 0.460 723 S N -1.745 113.856 115.700 -0.164 0.000 2.685 723 S HA 0.653 5.102 4.470 -0.034 0.000 0.282 723 S C -0.590 173.695 174.600 -0.525 0.000 1.159 723 S CA -0.485 57.553 58.200 -0.269 0.000 0.833 723 S CB 1.901 64.999 63.200 -0.169 0.000 1.151 723 S HN -0.025 nan 8.310 nan 0.000 0.485 724 A N 1.570 124.030 122.820 -0.600 0.000 3.117 724 A HA 0.407 4.706 4.320 -0.034 0.000 0.255 724 A C 0.370 177.781 177.584 -0.288 0.000 1.583 724 A CA -0.159 51.386 52.037 -0.820 0.000 1.234 724 A CB -2.021 16.650 19.000 -0.549 0.000 1.076 724 A HN 0.887 nan 8.150 nan 0.000 0.653 725 D N -0.498 119.807 120.400 -0.159 0.000 2.228 725 D HA 0.278 4.898 4.640 -0.034 0.000 0.259 725 D C 1.444 177.789 176.300 0.074 0.000 1.249 725 D CA 0.316 54.305 54.000 -0.019 0.000 0.997 725 D CB 0.032 40.829 40.800 -0.005 0.000 1.151 725 D HN 0.010 nan 8.370 nan 0.000 0.536 726 G N -1.625 107.214 108.800 0.065 0.000 2.453 726 G HA2 -0.177 3.763 3.960 -0.034 0.000 0.215 726 G HA3 -0.177 3.763 3.960 -0.034 0.000 0.215 726 G C 1.549 176.503 174.900 0.091 0.000 1.147 726 G CA 0.730 45.874 45.100 0.073 0.000 0.802 726 G HN 0.493 nan 8.290 nan 0.000 0.535 727 S N 0.197 115.954 115.700 0.094 0.000 2.356 727 S HA -0.141 4.309 4.470 -0.034 0.000 0.223 727 S C 2.129 176.808 174.600 0.131 0.000 1.032 727 S CA 1.491 59.745 58.200 0.090 0.000 1.005 727 S CB -0.472 62.774 63.200 0.076 0.000 0.867 727 S HN 0.343 nan 8.310 nan 0.000 0.449 728 F N 2.080 122.028 119.950 -0.003 0.000 2.095 728 F HA -0.046 4.460 4.527 -0.034 0.000 0.298 728 F C 2.206 178.003 175.800 -0.006 0.000 1.104 728 F CA 1.881 59.879 58.000 -0.004 0.000 1.232 728 F CB -0.335 38.663 39.000 -0.002 0.000 0.987 728 F HN 0.190 nan 8.300 nan 0.000 0.475 729 M N 0.215 119.969 119.600 0.257 0.000 2.229 729 M HA -0.161 4.299 4.480 -0.034 0.000 0.264 729 M C 1.667 177.969 176.300 0.004 0.000 1.063 729 M CA 1.242 56.602 55.300 0.099 0.000 1.114 729 M CB -1.309 31.379 32.600 0.146 0.000 1.387 729 M HN 0.158 nan 8.290 nan 0.000 0.420 730 D N 0.385 120.796 120.400 0.017 0.000 2.117 730 D HA -0.124 4.495 4.640 -0.034 0.000 0.198 730 D C 1.972 178.249 176.300 -0.039 0.000 0.982 730 D CA 1.060 55.057 54.000 -0.004 0.000 0.828 730 D CB -0.120 40.687 40.800 0.010 0.000 0.967 730 D HN 0.453 nan 8.370 nan 0.000 0.464 731 E N 0.339 120.502 120.200 -0.062 0.000 2.058 731 E HA -0.134 4.195 4.350 -0.034 0.000 0.194 731 E C 2.105 178.621 176.600 -0.139 0.000 0.997 731 E CA 0.302 56.643 56.400 -0.099 0.000 0.801 731 E CB -0.049 29.573 29.700 -0.129 0.000 0.746 731 E HN 0.136 nan 8.360 nan 0.000 0.450 732 L N 0.967 122.069 121.223 -0.202 0.000 2.017 732 L HA -0.175 4.145 4.340 -0.034 0.000 0.208 732 L C 2.189 178.988 176.870 -0.118 0.000 1.073 732 L CA 1.552 56.271 54.840 -0.202 0.000 0.745 732 L CB -0.496 41.402 42.059 -0.269 0.000 0.894 732 L HN 0.248 nan 8.230 nan 0.000 0.432 733 L N -0.598 120.576 121.223 -0.082 0.000 2.131 733 L HA -0.207 4.113 4.340 -0.034 0.000 0.210 733 L C 2.452 179.297 176.870 -0.042 0.000 1.092 733 L CA 1.466 56.277 54.840 -0.049 0.000 0.759 733 L CB -0.778 41.263 42.059 -0.029 0.000 0.903 733 L HN 0.266 nan 8.230 nan 0.000 0.435 734 T N 0.234 114.760 114.554 -0.046 0.000 2.708 734 T HA -0.148 4.182 4.350 -0.034 0.000 0.266 734 T C 1.969 176.640 174.700 -0.047 0.000 1.037 734 T CA 1.211 63.290 62.100 -0.035 0.000 1.146 734 T CB -0.261 68.588 68.868 -0.032 0.000 0.865 734 T HN 0.185 nan 8.240 nan 0.000 0.435 735 L N 0.363 121.538 121.223 -0.080 0.000 2.012 735 L HA -0.138 4.181 4.340 -0.034 0.000 0.210 735 L C 2.732 179.542 176.870 -0.100 0.000 1.073 735 L CA 1.474 56.248 54.840 -0.110 0.000 0.748 735 L CB -0.630 41.343 42.059 -0.144 0.000 0.891 735 L HN 0.305 nan 8.230 nan 0.000 0.431 736 M N -0.655 118.901 119.600 -0.074 0.000 2.149 736 M HA -0.191 4.268 4.480 -0.034 0.000 0.261 736 M C 2.437 178.744 176.300 0.011 0.000 1.064 736 M CA 1.813 57.089 55.300 -0.039 0.000 1.102 736 M CB -0.531 32.053 32.600 -0.026 0.000 1.369 736 M HN 0.327 nan 8.290 nan 0.000 0.408 737 A N 0.149 122.976 122.820 0.013 0.000 2.015 737 A HA 0.086 4.386 4.320 -0.034 0.000 0.219 737 A C 2.203 179.838 177.584 0.084 0.000 1.163 737 A CA 1.603 53.668 52.037 0.047 0.000 0.646 737 A CB -0.629 18.391 19.000 0.033 0.000 0.806 737 A HN 0.499 nan 8.150 nan 0.000 0.448 738 A N -2.587 120.264 122.820 0.051 0.000 2.251 738 A HA 0.324 4.623 4.320 -0.034 0.000 0.209 738 A C 0.993 178.617 177.584 0.067 0.000 1.187 738 A CA 1.381 53.460 52.037 0.070 0.000 0.823 738 A CB -0.427 18.567 19.000 -0.011 0.000 0.846 738 A HN 1.017 nan 8.150 nan 0.000 0.486 739 H N -1.460 117.559 119.070 -0.086 0.000 4.823 739 H HA -0.184 4.352 4.556 -0.034 0.000 0.064 739 H C -0.024 175.099 175.328 -0.342 0.000 0.599 739 H CA 2.296 58.278 56.048 -0.111 0.000 0.956 739 H CB -0.645 29.160 29.762 0.072 0.000 0.432 739 H HN 0.451 nan 8.280 nan 0.000 0.798 740 R N -0.141 119.804 120.500 -0.925 0.000 2.808 740 R HA 0.599 4.919 4.340 -0.034 0.000 0.272 740 R C -0.710 174.720 176.300 -1.450 0.000 0.995 740 R CA -0.321 54.997 56.100 -1.302 0.000 0.917 740 R CB 1.871 31.116 30.300 -1.758 0.000 1.217 740 R HN 0.088 nan 8.270 nan 0.000 0.471 741 V N 2.613 121.926 119.914 -1.003 0.000 2.222 741 V HA 0.081 4.181 4.120 -0.034 0.000 0.253 741 V C 0.695 176.390 176.094 -0.666 0.000 1.210 741 V CA -0.350 61.531 62.300 -0.697 0.000 1.079 741 V CB -0.513 31.048 31.823 -0.435 0.000 1.265 741 V HN 0.723 nan 8.190 nan 0.000 0.494 742 W N 1.615 122.647 121.300 -0.446 0.000 2.392 742 W HA -0.153 4.486 4.660 -0.034 0.000 0.279 742 W C 2.448 178.768 176.519 -0.332 0.000 1.225 742 W CA 0.767 57.766 57.345 -0.576 0.000 1.233 742 W CB -0.508 28.258 29.460 -1.158 0.000 1.122 742 W HN 0.641 nan 8.180 nan 0.000 0.561 743 S N 0.635 116.295 115.700 -0.068 0.000 2.507 743 S HA -0.115 4.334 4.470 -0.034 0.000 0.235 743 S C 1.673 176.237 174.600 -0.060 0.000 0.988 743 S CA 0.771 58.951 58.200 -0.034 0.000 0.944 743 S CB -0.373 62.808 63.200 -0.031 0.000 0.762 743 S HN 0.415 nan 8.310 nan 0.000 0.526 744 R N 0.623 121.044 120.500 -0.131 0.000 2.297 744 R HA 0.279 4.598 4.340 -0.034 0.000 0.197 744 R C 1.697 177.922 176.300 -0.125 0.000 0.943 744 R CA 0.189 56.187 56.100 -0.169 0.000 1.038 744 R CB -0.336 29.759 30.300 -0.342 0.000 0.957 744 R HN 0.454 nan 8.270 nan 0.000 0.484 745 I N 1.808 122.346 120.570 -0.053 0.000 2.113 745 I HA -0.264 3.885 4.170 -0.034 0.000 0.242 745 I C -0.828 175.307 176.117 0.031 0.000 1.064 745 I CA 1.598 62.910 61.300 0.020 0.000 1.320 745 I CB -0.919 37.141 38.000 0.100 0.000 1.028 745 I HN 0.159 nan 8.210 nan 0.000 0.406 746 P HA -0.164 nan 4.420 nan 0.000 0.218 746 P C 1.088 178.414 177.300 0.043 0.000 1.148 746 P CA 1.526 64.652 63.100 0.044 0.000 0.822 746 P CB -0.040 31.685 31.700 0.041 0.000 0.784 747 K N -0.419 120.001 120.400 0.034 0.000 2.365 747 K HA 0.093 4.393 4.320 -0.034 0.000 0.197 747 K C 1.906 178.562 176.600 0.095 0.000 1.042 747 K CA 0.560 56.890 56.287 0.072 0.000 0.987 747 K CB -0.421 32.144 32.500 0.109 0.000 0.779 747 K HN 0.285 nan 8.250 nan 0.000 0.484 748 I N -1.869 118.723 120.570 0.035 0.000 3.111 748 I HA -0.035 4.114 4.170 -0.034 0.000 0.272 748 I C 1.230 177.387 176.117 0.067 0.000 1.268 748 I CA 0.907 62.236 61.300 0.048 0.000 1.467 748 I CB -0.110 37.865 38.000 -0.041 0.000 1.087 748 I HN -0.093 nan 8.210 nan 0.000 0.467 749 D N 2.588 123.028 120.400 0.067 0.000 2.126 749 D HA -0.185 4.435 4.640 -0.034 0.000 0.190 749 D C 1.403 177.742 176.300 0.064 0.000 1.001 749 D CA 1.464 55.504 54.000 0.067 0.000 0.841 749 D CB 0.116 40.954 40.800 0.064 0.000 0.949 749 D HN 0.218 nan 8.370 nan 0.000 0.446 750 K N 0.065 120.504 120.400 0.066 0.000 2.745 750 K HA 0.118 4.418 4.320 -0.034 0.000 0.223 750 K C -0.117 176.517 176.600 0.057 0.000 1.057 750 K CA -0.123 56.198 56.287 0.057 0.000 1.217 750 K CB 0.472 33.004 32.500 0.053 0.000 0.993 750 K HN 0.243 nan 8.250 nan 0.000 0.478 751 I N 2.915 123.523 120.570 0.064 0.000 2.468 751 I HA 0.220 4.370 4.170 -0.034 0.000 0.284 751 I C -2.643 173.503 176.117 0.047 0.000 1.038 751 I CA -2.636 58.696 61.300 0.054 0.000 1.083 751 I CB 2.252 40.310 38.000 0.096 0.000 1.223 751 I HN -0.097 nan 8.210 nan 0.000 0.443 752 P HA 0.401 nan 4.420 nan 0.000 0.263 752 P C -0.717 176.639 177.300 0.093 0.000 1.601 752 P CA 0.089 63.224 63.100 0.059 0.000 1.161 752 P CB 0.324 32.055 31.700 0.050 0.000 1.730 753 A N 0.000 122.876 122.820 0.093 0.000 2.254 753 A HA 0.000 4.300 4.320 -0.034 0.000 0.244 753 A CA 0.000 52.133 52.037 0.161 0.000 0.836 753 A CB 0.000 19.002 19.000 0.004 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486