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 1qf7_1_D DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF 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 EQAAFQPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.284 176.300 -0.027 0.000 2.045 27 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 27 D CB 0.000 40.787 40.800 -0.022 0.000 0.688 28 S N -0.077 115.603 115.700 -0.034 0.000 2.607 28 S HA 0.328 4.811 4.470 0.022 0.000 0.196 28 S C 0.627 175.191 174.600 -0.061 0.000 0.911 28 S CA -0.248 57.925 58.200 -0.044 0.000 1.133 28 S CB -0.589 62.590 63.200 -0.035 0.000 1.612 28 S HN 0.225 nan 8.310 nan 0.000 0.437 29 L N 0.707 121.887 121.223 -0.072 0.000 2.249 29 L HA 0.451 4.804 4.340 0.022 0.000 0.207 29 L C 1.488 178.279 176.870 -0.131 0.000 1.090 29 L CA 0.389 55.180 54.840 -0.081 0.000 0.802 29 L CB -0.651 41.375 42.059 -0.055 0.000 0.947 29 L HN 0.509 nan 8.230 nan 0.000 0.453 30 A N 1.693 124.382 122.820 -0.219 0.000 2.462 30 A HA 0.350 4.683 4.320 0.022 0.000 0.243 30 A C -1.964 175.466 177.584 -0.257 0.000 1.076 30 A CA -1.013 50.767 52.037 -0.427 0.000 0.773 30 A CB -0.671 17.875 19.000 -0.758 0.000 1.010 30 A HN 0.026 nan 8.150 nan 0.000 0.493 31 P HA 0.031 nan 4.420 nan 0.000 0.266 31 P C 0.205 177.476 177.300 -0.048 0.000 1.195 31 P CA 0.123 63.182 63.100 -0.069 0.000 0.768 31 P CB 0.686 32.387 31.700 0.002 0.000 0.838 32 E N 1.956 122.142 120.200 -0.023 0.000 2.338 32 E HA -0.183 4.180 4.350 0.022 0.000 0.197 32 E C 0.952 177.566 176.600 0.022 0.000 1.007 32 E CA 1.277 57.674 56.400 -0.006 0.000 0.849 32 E CB -0.486 29.210 29.700 -0.007 0.000 0.774 32 E HN 0.454 nan 8.360 nan 0.000 0.506 33 D N -1.287 119.133 120.400 0.033 0.000 2.349 33 D HA 0.061 4.714 4.640 0.022 0.000 0.224 33 D C 1.323 177.672 176.300 0.081 0.000 1.029 33 D CA 0.733 54.761 54.000 0.046 0.000 0.879 33 D CB -0.324 40.498 40.800 0.037 0.000 0.906 33 D HN 0.210 nan 8.370 nan 0.000 0.528 34 G N 0.408 109.295 108.800 0.145 0.000 2.143 34 G HA2 -0.347 3.627 3.960 0.022 0.000 0.248 34 G HA3 -0.347 3.627 3.960 0.022 0.000 0.248 34 G C 0.975 175.993 174.900 0.197 0.000 0.991 34 G CA 0.799 46.045 45.100 0.244 0.000 0.689 34 G HN 0.727 nan 8.290 nan 0.000 0.522 35 S N 0.485 116.293 115.700 0.180 0.000 2.660 35 S HA 0.021 4.504 4.470 0.022 0.000 0.223 35 S C 1.851 176.521 174.600 0.118 0.000 0.963 35 S CA 1.010 59.270 58.200 0.099 0.000 0.932 35 S CB -0.497 62.743 63.200 0.067 0.000 0.775 35 S HN 0.932 nan 8.310 nan 0.000 0.531 36 H N 0.670 119.747 119.070 0.011 0.000 2.512 36 H HA 0.297 4.866 4.556 0.022 0.000 0.279 36 H C 0.750 176.090 175.328 0.019 0.000 0.999 36 H CA 0.170 56.225 56.048 0.013 0.000 1.283 36 H CB -0.292 29.477 29.762 0.011 0.000 1.421 36 H HN 0.339 nan 8.280 nan 0.000 0.554 37 R N 3.188 123.352 120.500 -0.560 0.000 2.265 37 R HA 0.322 4.675 4.340 0.022 0.000 0.328 37 R C -2.508 173.693 176.300 -0.164 0.000 0.969 37 R CA -2.247 53.609 56.100 -0.406 0.000 0.832 37 R CB 0.846 30.781 30.300 -0.608 0.000 1.139 37 R HN 0.121 nan 8.270 nan 0.000 0.457 38 P HA 0.126 nan 4.420 nan 0.000 0.272 38 P C -0.887 176.401 177.300 -0.020 0.000 1.223 38 P CA -0.370 62.715 63.100 -0.025 0.000 0.784 38 P CB 0.985 32.693 31.700 0.015 0.000 0.923 39 A N 2.348 125.164 122.820 -0.006 0.000 2.425 39 A HA 0.421 4.754 4.320 0.022 0.000 0.249 39 A C 1.013 178.606 177.584 0.015 0.000 1.084 39 A CA -0.067 51.971 52.037 0.001 0.000 0.781 39 A CB -0.290 18.713 19.000 0.005 0.000 1.019 39 A HN 0.579 nan 8.150 nan 0.000 0.490 40 A N 2.123 124.952 122.820 0.015 0.000 3.074 40 A HA 0.499 4.832 4.320 0.022 0.000 0.251 40 A C 0.289 177.890 177.584 0.029 0.000 1.695 40 A CA 0.472 52.523 52.037 0.024 0.000 1.343 40 A CB -0.988 18.023 19.000 0.019 0.000 1.078 40 A HN 1.028 nan 8.150 nan 0.000 0.644 41 E N -0.782 119.437 120.200 0.032 0.000 2.423 41 E HA 0.570 4.933 4.350 0.022 0.000 0.280 41 E C -3.353 173.268 176.600 0.035 0.000 1.030 41 E CA -1.860 54.560 56.400 0.034 0.000 0.812 41 E CB 0.957 30.673 29.700 0.026 0.000 1.313 41 E HN -0.015 nan 8.360 nan 0.000 0.456 42 P HA 0.151 nan 4.420 nan 0.000 0.267 42 P C -0.879 176.428 177.300 0.012 0.000 1.209 42 P CA 0.128 63.241 63.100 0.021 0.000 0.763 42 P CB 0.628 32.329 31.700 0.002 0.000 0.816 43 T N 0.750 115.307 114.554 0.005 0.000 2.896 43 T HA 0.683 5.046 4.350 0.022 0.000 0.297 43 T C -3.007 171.665 174.700 -0.047 0.000 1.108 43 T CA -2.672 59.425 62.100 -0.005 0.000 1.004 43 T CB 1.638 70.508 68.868 0.003 0.000 1.159 43 T HN 0.031 nan 8.240 nan 0.000 0.499 44 P HA 0.406 nan 4.420 nan 0.000 0.276 44 P C -2.812 174.354 177.300 -0.224 0.000 1.244 44 P CA -1.832 61.122 63.100 -0.244 0.000 0.801 44 P CB -0.941 30.682 31.700 -0.129 0.000 1.006 45 P HA 0.066 nan 4.420 nan 0.000 0.263 45 P C 1.051 178.304 177.300 -0.078 0.000 1.195 45 P CA 1.394 64.394 63.100 -0.167 0.000 0.762 45 P CB -0.291 31.306 31.700 -0.173 0.000 0.799 46 G N 3.020 111.803 108.800 -0.029 0.000 2.199 46 G HA2 -0.347 3.626 3.960 0.022 0.000 0.254 46 G HA3 -0.347 3.626 3.960 0.022 0.000 0.254 46 G C 1.150 176.048 174.900 -0.004 0.000 0.982 46 G CA 0.405 45.502 45.100 -0.006 0.000 0.632 46 G HN 0.654 nan 8.290 nan 0.000 0.529 47 A N -0.790 122.023 122.820 -0.012 0.000 1.929 47 A HA 0.388 4.721 4.320 0.022 0.000 0.216 47 A C 1.427 179.015 177.584 0.005 0.000 1.176 47 A CA 2.067 54.103 52.037 -0.003 0.000 0.628 47 A CB -0.047 18.950 19.000 -0.005 0.000 0.816 47 A HN 0.597 nan 8.150 nan 0.000 0.444 48 Q N -1.111 118.695 119.800 0.010 0.000 2.528 48 Q HA 0.451 4.805 4.340 0.022 0.000 0.289 48 Q C -2.941 173.072 176.000 0.022 0.000 1.091 48 Q CA -2.265 53.547 55.803 0.015 0.000 0.797 48 Q CB 0.429 29.178 28.738 0.018 0.000 1.466 48 Q HN 0.060 nan 8.270 nan 0.000 0.436 49 P HA 0.043 nan 4.420 nan 0.000 0.271 49 P C -0.319 177.010 177.300 0.049 0.000 1.216 49 P CA 0.077 63.190 63.100 0.022 0.000 0.771 49 P CB 0.242 31.952 31.700 0.016 0.000 0.864 50 T N -0.026 114.560 114.554 0.054 0.000 2.813 50 T HA 0.594 4.957 4.350 0.022 0.000 0.297 50 T C 0.069 174.860 174.700 0.153 0.000 1.036 50 T CA -0.479 61.707 62.100 0.143 0.000 1.044 50 T CB 0.666 69.583 68.868 0.081 0.000 0.993 50 T HN 0.578 nan 8.240 nan 0.000 0.535 51 A N 1.406 124.414 122.820 0.314 0.000 2.609 51 A HA 0.757 5.090 4.320 0.022 0.000 0.291 51 A C -3.084 174.753 177.584 0.423 0.000 1.096 51 A CA -2.013 50.180 52.037 0.261 0.000 0.684 51 A CB 0.465 19.563 19.000 0.163 0.000 1.282 51 A HN 0.649 nan 8.150 nan 0.000 0.412 52 P HA 0.077 nan 4.420 nan 0.000 0.263 52 P C 1.281 178.728 177.300 0.245 0.000 1.175 52 P CA 1.152 64.455 63.100 0.338 0.000 0.761 52 P CB 0.545 32.367 31.700 0.203 0.000 0.794 53 G N 2.502 111.407 108.800 0.176 0.000 2.505 53 G HA2 -0.321 3.652 3.960 0.022 0.000 0.220 53 G HA3 -0.321 3.652 3.960 0.022 0.000 0.220 53 G C 1.599 176.516 174.900 0.029 0.000 1.145 53 G CA 1.202 46.321 45.100 0.032 0.000 0.761 53 G HN 0.592 nan 8.290 nan 0.000 0.571 54 S N -0.302 115.421 115.700 0.038 0.000 2.489 54 S HA 0.180 4.663 4.470 0.022 0.000 0.228 54 S C 2.204 176.823 174.600 0.032 0.000 0.995 54 S CA 0.604 58.812 58.200 0.014 0.000 0.934 54 S CB -0.117 63.081 63.200 -0.003 0.000 0.771 54 S HN 0.325 nan 8.310 nan 0.000 0.522 55 L N -0.066 121.192 121.223 0.057 0.000 2.253 55 L HA 0.266 4.619 4.340 0.022 0.000 0.205 55 L C 2.653 179.554 176.870 0.052 0.000 1.078 55 L CA 0.812 55.684 54.840 0.054 0.000 0.805 55 L CB -0.390 41.709 42.059 0.067 0.000 0.963 55 L HN 0.258 nan 8.230 nan 0.000 0.459 56 K N 1.512 121.954 120.400 0.071 0.000 2.062 56 K HA 0.008 4.341 4.320 0.022 0.000 0.205 56 K C 0.711 177.341 176.600 0.049 0.000 1.051 56 K CA 1.388 57.717 56.287 0.069 0.000 0.941 56 K CB 0.083 32.644 32.500 0.101 0.000 0.719 56 K HN 0.154 nan 8.250 nan 0.000 0.440 57 A N 0.771 123.613 122.820 0.036 0.000 3.317 57 A HA 0.347 4.680 4.320 0.022 0.000 0.307 57 A C -2.183 175.406 177.584 0.008 0.000 1.003 57 A CA -1.006 51.049 52.037 0.029 0.000 0.882 57 A CB 0.657 19.679 19.000 0.037 0.000 1.136 57 A HN 0.171 nan 8.150 nan 0.000 0.488 58 P HA -0.121 nan 4.420 nan 0.000 0.222 58 P C 0.109 177.402 177.300 -0.013 0.000 1.147 58 P CA 1.145 64.243 63.100 -0.003 0.000 0.790 58 P CB 0.347 32.050 31.700 0.005 0.000 0.780 59 D N -0.840 119.556 120.400 -0.006 0.000 2.339 59 D HA 0.018 4.672 4.640 0.022 0.000 0.217 59 D C 0.277 176.562 176.300 -0.025 0.000 1.050 59 D CA 0.566 54.559 54.000 -0.013 0.000 0.856 59 D CB -0.266 40.535 40.800 0.000 0.000 0.922 59 D HN 0.119 nan 8.370 nan 0.000 0.518 60 T N 2.339 116.875 114.554 -0.030 0.000 2.727 60 T HA 0.334 4.698 4.350 0.022 0.000 0.295 60 T C 0.355 175.006 174.700 -0.081 0.000 0.915 60 T CA -0.306 61.761 62.100 -0.056 0.000 1.066 60 T CB 0.921 69.755 68.868 -0.057 0.000 0.891 60 T HN -0.189 nan 8.240 nan 0.000 0.516 61 R N 2.818 123.263 120.500 -0.092 0.000 2.888 61 R HA 0.762 5.115 4.340 0.022 0.000 0.266 61 R C -0.402 175.832 176.300 -0.109 0.000 1.020 61 R CA -1.177 54.863 56.100 -0.100 0.000 0.963 61 R CB 1.345 31.594 30.300 -0.084 0.000 1.197 61 R HN 0.814 nan 8.270 nan 0.000 0.481 62 N N -2.641 116.000 118.700 -0.099 0.000 3.046 62 N HA 0.051 4.804 4.740 0.022 0.000 0.243 62 N C 0.005 175.469 175.510 -0.076 0.000 1.452 62 N CA -0.716 52.288 53.050 -0.077 0.000 0.882 62 N CB 0.506 38.976 38.487 -0.028 0.000 1.425 62 N HN 0.535 nan 8.380 nan 0.000 0.517 63 E N -0.144 120.025 120.200 -0.052 0.000 2.110 63 E HA -0.249 4.114 4.350 0.022 0.000 0.193 63 E C 0.976 177.508 176.600 -0.115 0.000 0.988 63 E CA 1.402 57.767 56.400 -0.059 0.000 0.804 63 E CB 0.094 29.784 29.700 -0.017 0.000 0.745 63 E HN 0.491 nan 8.360 nan 0.000 0.458 64 K N 0.705 121.005 120.400 -0.167 0.000 2.062 64 K HA -0.039 4.294 4.320 0.022 0.000 0.205 64 K C 2.141 178.586 176.600 -0.258 0.000 1.051 64 K CA 0.984 57.081 56.287 -0.316 0.000 0.941 64 K CB -0.345 31.799 32.500 -0.592 0.000 0.719 64 K HN 0.175 nan 8.250 nan 0.000 0.440 65 L N 0.875 121.959 121.223 -0.232 0.000 2.083 65 L HA -0.201 4.152 4.340 0.022 0.000 0.209 65 L C 1.828 178.585 176.870 -0.188 0.000 1.083 65 L CA 1.202 55.876 54.840 -0.277 0.000 0.752 65 L CB -0.576 41.309 42.059 -0.290 0.000 0.899 65 L HN 0.267 nan 8.230 nan 0.000 0.433 66 N N -0.240 118.375 118.700 -0.141 0.000 2.120 66 N HA -0.158 4.595 4.740 0.022 0.000 0.188 66 N C 2.045 177.494 175.510 -0.100 0.000 1.024 66 N CA 1.713 54.700 53.050 -0.105 0.000 0.852 66 N CB -0.420 38.019 38.487 -0.081 0.000 1.003 66 N HN 0.346 nan 8.380 nan 0.000 0.424 67 S N 0.272 115.904 115.700 -0.114 0.000 2.481 67 S HA 0.048 4.531 4.470 0.022 0.000 0.231 67 S C 1.842 176.377 174.600 -0.108 0.000 0.996 67 S CA 0.322 58.461 58.200 -0.101 0.000 0.942 67 S CB -0.429 62.707 63.200 -0.106 0.000 0.768 67 S HN 0.232 nan 8.310 nan 0.000 0.520 68 L N 0.717 121.861 121.223 -0.131 0.000 2.478 68 L HA 0.133 4.486 4.340 0.022 0.000 0.223 68 L C 2.716 179.534 176.870 -0.087 0.000 1.140 68 L CA 0.754 55.523 54.840 -0.119 0.000 0.842 68 L CB -0.379 41.592 42.059 -0.147 0.000 0.953 68 L HN 0.299 nan 8.230 nan 0.000 0.452 69 E N 1.049 121.201 120.200 -0.081 0.000 2.118 69 E HA -0.276 4.088 4.350 0.022 0.000 0.195 69 E C 1.730 178.302 176.600 -0.046 0.000 0.992 69 E CA 1.656 58.021 56.400 -0.059 0.000 0.804 69 E CB -0.114 29.554 29.700 -0.053 0.000 0.741 69 E HN 0.565 nan 8.360 nan 0.000 0.458 70 D N -0.322 120.050 120.400 -0.047 0.000 2.265 70 D HA -0.152 4.502 4.640 0.022 0.000 0.208 70 D C 1.480 177.756 176.300 -0.040 0.000 0.977 70 D CA 1.667 55.643 54.000 -0.040 0.000 0.871 70 D CB -0.202 40.574 40.800 -0.040 0.000 0.925 70 D HN 0.313 nan 8.370 nan 0.000 0.485 71 V N -3.596 116.292 119.914 -0.043 0.000 3.477 71 V HA 0.354 4.488 4.120 0.022 0.000 0.297 71 V C 0.771 176.846 176.094 -0.032 0.000 1.433 71 V CA -0.790 61.487 62.300 -0.038 0.000 1.052 71 V CB -0.561 31.238 31.823 -0.040 0.000 0.895 71 V HN -0.162 nan 8.190 nan 0.000 0.438 72 R N 2.001 122.482 120.500 -0.032 0.000 2.491 72 R HA 0.462 4.815 4.340 0.022 0.000 0.283 72 R C -0.245 176.041 176.300 -0.024 0.000 1.072 72 R CA 0.094 56.182 56.100 -0.020 0.000 1.048 72 R CB 0.700 30.991 30.300 -0.016 0.000 0.983 72 R HN 0.390 nan 8.270 nan 0.000 0.450 73 K N 1.067 121.455 120.400 -0.020 0.000 2.221 73 K HA 0.325 4.658 4.320 0.022 0.000 0.258 73 K C 0.168 176.761 176.600 -0.013 0.000 0.944 73 K CA -0.547 55.712 56.287 -0.047 0.000 0.823 73 K CB 2.348 34.807 32.500 -0.068 0.000 1.113 73 K HN 0.710 nan 8.250 nan 0.000 0.431 74 G N 0.039 108.831 108.800 -0.012 0.000 2.509 74 G HA2 0.292 4.265 3.960 0.022 0.000 0.269 74 G HA3 0.292 4.265 3.960 0.022 0.000 0.269 74 G C 0.524 175.486 174.900 0.104 0.000 1.416 74 G CA 0.149 45.303 45.100 0.090 0.000 1.052 74 G HN 0.655 nan 8.290 nan 0.000 0.542 75 S N -2.611 113.245 115.700 0.259 0.000 2.707 75 S HA 0.085 4.568 4.470 0.022 0.000 0.224 75 S C 0.194 174.977 174.600 0.303 0.000 0.931 75 S CA -0.111 58.244 58.200 0.259 0.000 1.243 75 S CB -0.074 63.201 63.200 0.126 0.000 0.949 75 S HN 0.529 nan 8.310 nan 0.000 0.384 76 E N 3.223 123.531 120.200 0.181 0.000 2.452 76 E HA 0.268 4.631 4.350 0.022 0.000 0.261 76 E C -0.176 176.398 176.600 -0.043 0.000 0.987 76 E CA 0.380 56.822 56.400 0.071 0.000 0.926 76 E CB 0.000 29.727 29.700 0.044 0.000 0.934 76 E HN 0.415 nan 8.360 nan 0.000 0.452 77 N N 0.210 118.866 118.700 -0.074 0.000 2.863 77 N HA -0.222 4.532 4.740 0.022 0.000 0.245 77 N C -1.020 174.333 175.510 -0.262 0.000 1.001 77 N CA 1.250 54.192 53.050 -0.179 0.000 0.901 77 N CB -1.361 36.975 38.487 -0.252 0.000 1.124 77 N HN 0.392 nan 8.380 nan 0.000 0.582 78 Y N 0.560 120.864 120.300 0.007 0.000 2.419 78 Y HA 0.640 5.204 4.550 0.023 0.000 0.328 78 Y C 0.921 176.823 175.900 0.003 0.000 1.162 78 Y CA -0.468 57.635 58.100 0.005 0.000 1.174 78 Y CB 1.059 39.523 38.460 0.005 0.000 1.228 78 Y HN 0.119 nan 8.280 nan 0.000 0.473 79 A N 2.232 125.161 122.820 0.182 0.000 2.371 79 A HA 0.438 4.772 4.320 0.022 0.000 0.257 79 A C -0.880 176.757 177.584 0.088 0.000 1.089 79 A CA -0.547 51.550 52.037 0.100 0.000 0.794 79 A CB 0.167 19.212 19.000 0.075 0.000 1.029 79 A HN 0.698 nan 8.150 nan 0.000 0.488 80 L N 2.832 124.085 121.223 0.051 0.000 2.418 80 L HA 0.496 4.850 4.340 0.022 0.000 0.274 80 L C 0.642 177.523 176.870 0.018 0.000 1.135 80 L CA 1.093 55.949 54.840 0.027 0.000 0.870 80 L CB 0.237 42.303 42.059 0.011 0.000 1.154 80 L HN 0.909 nan 8.230 nan 0.000 0.462 81 T N 0.426 114.985 114.554 0.010 0.000 2.864 81 T HA 0.676 5.039 4.350 0.022 0.000 0.289 81 T C 0.234 174.938 174.700 0.007 0.000 1.082 81 T CA -0.174 61.934 62.100 0.014 0.000 1.009 81 T CB 1.030 69.909 68.868 0.019 0.000 1.234 81 T HN 0.766 nan 8.240 nan 0.000 0.526 82 T N 0.203 114.776 114.554 0.031 0.000 2.726 82 T HA 0.231 4.594 4.350 0.022 0.000 0.294 82 T C 1.069 175.786 174.700 0.029 0.000 1.013 82 T CA -0.513 61.614 62.100 0.045 0.000 0.996 82 T CB -0.040 68.899 68.868 0.119 0.000 1.016 82 T HN 0.562 nan 8.240 nan 0.000 0.529 83 N N 0.502 119.220 118.700 0.030 0.000 2.381 83 N HA -0.072 4.681 4.740 0.022 0.000 0.182 83 N C 1.620 177.144 175.510 0.023 0.000 1.025 83 N CA 0.663 53.721 53.050 0.013 0.000 0.888 83 N CB -0.199 38.303 38.487 0.024 0.000 0.965 83 N HN 0.565 nan 8.380 nan 0.000 0.438 84 Q N -0.395 119.432 119.800 0.045 0.000 2.365 84 Q HA 0.184 4.537 4.340 0.022 0.000 0.203 84 Q C 0.843 176.864 176.000 0.034 0.000 0.929 84 Q CA 0.250 56.076 55.803 0.038 0.000 0.948 84 Q CB 0.243 29.008 28.738 0.044 0.000 1.043 84 Q HN 0.412 nan 8.270 nan 0.000 0.505 85 G N 0.318 109.138 108.800 0.033 0.000 2.141 85 G HA2 -0.244 3.729 3.960 0.022 0.000 0.242 85 G HA3 -0.244 3.729 3.960 0.022 0.000 0.242 85 G C 0.121 175.048 174.900 0.046 0.000 0.982 85 G CA 0.154 45.270 45.100 0.028 0.000 0.662 85 G HN 0.241 nan 8.290 nan 0.000 0.527 86 V N 1.690 121.648 119.914 0.073 0.000 2.461 86 V HA 0.365 4.499 4.120 0.022 0.000 0.275 86 V C 1.319 177.459 176.094 0.076 0.000 1.047 86 V CA -0.486 61.871 62.300 0.096 0.000 0.955 86 V CB 1.056 32.984 31.823 0.176 0.000 0.988 86 V HN 0.418 nan 8.190 nan 0.000 0.471 87 R N 4.297 124.833 120.500 0.061 0.000 2.590 87 R HA 0.392 4.745 4.340 0.022 0.000 0.274 87 R C -0.505 175.812 176.300 0.028 0.000 1.061 87 R CA -0.108 56.017 56.100 0.042 0.000 1.081 87 R CB 0.564 30.887 30.300 0.038 0.000 0.984 87 R HN 0.574 nan 8.270 nan 0.000 0.448 88 I N 1.893 122.467 120.570 0.007 0.000 2.359 88 I HA 0.145 4.328 4.170 0.022 0.000 0.294 88 I C 0.842 176.949 176.117 -0.017 0.000 0.987 88 I CA -0.005 61.282 61.300 -0.022 0.000 1.225 88 I CB 1.898 39.875 38.000 -0.039 0.000 1.366 88 I HN 0.785 nan 8.210 nan 0.000 0.466 89 A N 4.083 126.888 122.820 -0.025 0.000 1.901 89 A HA 0.037 4.370 4.320 0.022 0.000 0.210 89 A C 0.652 178.220 177.584 -0.027 0.000 1.208 89 A CA 0.802 52.828 52.037 -0.019 0.000 0.644 89 A CB 0.104 19.096 19.000 -0.014 0.000 0.863 89 A HN 0.667 nan 8.150 nan 0.000 0.454 90 D N -0.400 119.975 120.400 -0.042 0.000 2.440 90 D HA 0.319 4.972 4.640 0.022 0.000 0.252 90 D C -1.218 175.048 176.300 -0.056 0.000 1.180 90 D CA -0.354 53.620 54.000 -0.043 0.000 0.894 90 D CB 1.163 41.938 40.800 -0.042 0.000 1.111 90 D HN 0.060 nan 8.370 nan 0.000 0.544 91 D N 1.946 122.317 120.400 -0.049 0.000 2.336 91 D HA 0.023 4.677 4.640 0.022 0.000 0.228 91 D C 0.812 177.080 176.300 -0.053 0.000 1.120 91 D CA 0.382 54.349 54.000 -0.055 0.000 0.839 91 D CB 0.528 41.300 40.800 -0.046 0.000 0.932 91 D HN 0.280 nan 8.370 nan 0.000 0.509 92 Q N -0.694 119.077 119.800 -0.049 0.000 2.317 92 Q HA 0.230 4.583 4.340 0.022 0.000 0.220 92 Q C -0.074 175.897 176.000 -0.049 0.000 0.873 92 Q CA 0.241 56.016 55.803 -0.047 0.000 0.936 92 Q CB 0.715 29.430 28.738 -0.038 0.000 1.105 92 Q HN 0.198 nan 8.270 nan 0.000 0.520 93 N N 0.203 118.872 118.700 -0.052 0.000 2.242 93 N HA 0.305 5.058 4.740 0.022 0.000 0.292 93 N C -0.979 174.497 175.510 -0.057 0.000 1.125 93 N CA -0.252 52.768 53.050 -0.049 0.000 0.783 93 N CB 2.135 40.597 38.487 -0.040 0.000 1.558 93 N HN -0.168 nan 8.380 nan 0.000 0.472 94 S N 0.758 116.428 115.700 -0.050 0.000 2.603 94 S HA 0.270 4.753 4.470 0.022 0.000 0.268 94 S C 0.128 174.702 174.600 -0.043 0.000 1.317 94 S CA -0.552 57.618 58.200 -0.050 0.000 1.012 94 S CB 0.681 63.858 63.200 -0.037 0.000 0.926 94 S HN 0.385 nan 8.310 nan 0.000 0.539 95 L N 3.727 124.924 121.223 -0.043 0.000 2.319 95 L HA 0.425 4.778 4.340 0.022 0.000 0.280 95 L C 0.073 176.933 176.870 -0.016 0.000 1.099 95 L CA 0.344 55.166 54.840 -0.030 0.000 0.828 95 L CB -0.030 42.012 42.059 -0.027 0.000 1.150 95 L HN 0.711 nan 8.230 nan 0.000 0.442 96 R N 4.200 124.693 120.500 -0.012 0.000 2.867 96 R HA 0.863 5.216 4.340 0.022 0.000 0.268 96 R C -1.053 175.246 176.300 -0.002 0.000 1.014 96 R CA -0.828 55.268 56.100 -0.006 0.000 0.946 96 R CB 1.152 31.447 30.300 -0.009 0.000 1.208 96 R HN 0.596 nan 8.270 nan 0.000 0.477 97 A N 1.292 124.113 122.820 0.000 0.000 2.807 97 A HA 0.576 4.909 4.320 0.022 0.000 0.307 97 A C 0.575 178.159 177.584 -0.000 0.000 1.532 97 A CA 0.308 52.346 52.037 0.002 0.000 1.215 97 A CB -0.979 18.024 19.000 0.004 0.000 1.127 97 A HN 1.203 nan 8.150 nan 0.000 0.543 98 G N 0.917 109.717 108.800 -0.001 0.000 2.692 98 G HA2 0.051 4.024 3.960 0.022 0.000 0.686 98 G HA3 0.051 4.024 3.960 0.022 0.000 0.686 98 G C 0.666 175.563 174.900 -0.005 0.000 1.243 98 G CA 0.152 45.251 45.100 -0.003 0.000 0.782 98 G HN 1.819 nan 8.290 nan 0.000 0.625 99 S N -0.396 115.300 115.700 -0.006 0.000 2.555 99 S HA 0.036 4.519 4.470 0.022 0.000 0.230 99 S C 1.517 176.111 174.600 -0.009 0.000 0.978 99 S CA 1.310 59.505 58.200 -0.009 0.000 0.934 99 S CB 0.021 63.216 63.200 -0.009 0.000 0.766 99 S HN 0.759 nan 8.310 nan 0.000 0.533 100 R N 0.664 121.160 120.500 -0.007 0.000 2.577 100 R HA 0.321 4.675 4.340 0.022 0.000 0.344 100 R C 0.954 177.251 176.300 -0.005 0.000 1.037 100 R CA 0.116 56.212 56.100 -0.007 0.000 1.102 100 R CB 0.752 31.048 30.300 -0.006 0.000 1.313 100 R HN 0.422 nan 8.270 nan 0.000 0.561 101 G N 2.126 110.924 108.800 -0.005 0.000 2.525 101 G HA2 0.345 4.319 3.960 0.022 0.000 0.287 101 G HA3 0.345 4.319 3.960 0.022 0.000 0.287 101 G C -2.335 172.563 174.900 -0.003 0.000 1.350 101 G CA -0.975 44.123 45.100 -0.003 0.000 1.039 101 G HN -0.098 nan 8.290 nan 0.000 0.513 102 P HA 0.237 nan 4.420 nan 0.000 0.278 102 P C -0.269 177.030 177.300 -0.000 0.000 1.238 102 P CA -0.138 62.962 63.100 -0.000 0.000 0.794 102 P CB 1.007 32.709 31.700 0.003 0.000 0.955 103 T N 3.052 117.605 114.554 -0.001 0.000 2.901 103 T HA 0.211 4.574 4.350 0.022 0.000 0.301 103 T C 0.538 175.241 174.700 0.006 0.000 1.012 103 T CA -0.051 62.048 62.100 -0.002 0.000 1.135 103 T CB -0.068 68.798 68.868 -0.004 0.000 0.936 103 T HN 0.187 nan 8.240 nan 0.000 0.539 104 L N 3.871 125.098 121.223 0.008 0.000 2.326 104 L HA 0.270 4.623 4.340 0.022 0.000 0.278 104 L C 1.465 178.351 176.870 0.025 0.000 1.092 104 L CA -0.748 54.102 54.840 0.017 0.000 0.810 104 L CB 0.814 42.884 42.059 0.019 0.000 1.153 104 L HN 0.530 nan 8.230 nan 0.000 0.439 105 L N 2.574 123.816 121.223 0.031 0.000 2.187 105 L HA -0.202 4.151 4.340 0.022 0.000 0.213 105 L C 2.395 179.301 176.870 0.061 0.000 1.100 105 L CA 1.663 56.528 54.840 0.041 0.000 0.765 105 L CB -0.560 41.521 42.059 0.037 0.000 0.904 105 L HN 0.781 nan 8.230 nan 0.000 0.437 106 E N -1.615 118.626 120.200 0.067 0.000 2.478 106 E HA -0.188 4.175 4.350 0.022 0.000 0.198 106 E C 0.327 177.018 176.600 0.153 0.000 1.046 106 E CA 0.340 56.804 56.400 0.107 0.000 0.870 106 E CB -0.549 29.210 29.700 0.098 0.000 0.818 106 E HN 0.374 nan 8.360 nan 0.000 0.527 107 D N 1.343 121.791 120.400 0.080 0.000 2.482 107 D HA -0.075 4.579 4.640 0.022 0.000 0.244 107 D C 0.563 176.878 176.300 0.024 0.000 1.242 107 D CA -0.339 53.666 54.000 0.008 0.000 1.097 107 D CB -0.309 40.470 40.800 -0.035 0.000 1.109 107 D HN 0.298 nan 8.370 nan 0.000 0.510 108 F N 1.699 121.658 119.950 0.014 0.000 2.293 108 F HA 0.010 4.546 4.527 0.016 0.000 0.300 108 F C 1.665 177.477 175.800 0.020 0.000 1.086 108 F CA 0.270 58.280 58.000 0.018 0.000 1.375 108 F CB -0.636 38.374 39.000 0.016 0.000 1.045 108 F HN 0.182 nan 8.300 nan 0.000 0.516 109 I N 0.400 120.618 120.570 -0.586 0.000 2.163 109 I HA -0.212 3.972 4.170 0.022 0.000 0.240 109 I C 2.523 178.545 176.117 -0.159 0.000 1.081 109 I CA 1.163 62.218 61.300 -0.408 0.000 1.353 109 I CB -0.554 37.119 38.000 -0.544 0.000 1.054 109 I HN 0.281 nan 8.210 nan 0.000 0.407 110 L N 1.106 122.245 121.223 -0.140 0.000 1.990 110 L HA -0.239 4.114 4.340 0.022 0.000 0.213 110 L C 2.657 179.522 176.870 -0.008 0.000 1.072 110 L CA 1.919 56.719 54.840 -0.066 0.000 0.755 110 L CB -0.619 41.405 42.059 -0.059 0.000 0.889 110 L HN 0.066 nan 8.230 nan 0.000 0.432 111 R N -0.595 119.919 120.500 0.023 0.000 2.091 111 R HA -0.213 4.140 4.340 0.022 0.000 0.238 111 R C 2.358 178.716 176.300 0.097 0.000 1.136 111 R CA 1.826 57.968 56.100 0.070 0.000 0.959 111 R CB -0.444 29.910 30.300 0.090 0.000 0.856 111 R HN 0.623 nan 8.270 nan 0.000 0.437 112 E N 0.948 121.209 120.200 0.103 0.000 2.072 112 E HA -0.214 4.150 4.350 0.022 0.000 0.191 112 E C 1.965 178.644 176.600 0.131 0.000 0.985 112 E CA 1.096 57.572 56.400 0.126 0.000 0.801 112 E CB 0.107 29.885 29.700 0.130 0.000 0.750 112 E HN 0.159 nan 8.360 nan 0.000 0.452 113 K N 0.386 120.833 120.400 0.079 0.000 2.002 113 K HA -0.152 4.181 4.320 0.022 0.000 0.209 113 K C 2.144 178.815 176.600 0.117 0.000 1.048 113 K CA 1.432 57.761 56.287 0.070 0.000 0.930 113 K CB -0.055 32.444 32.500 -0.001 0.000 0.714 113 K HN 0.131 nan 8.250 nan 0.000 0.438 114 I N 1.375 122.001 120.570 0.092 0.000 2.252 114 I HA -0.190 3.993 4.170 0.022 0.000 0.245 114 I C 2.186 178.430 176.117 0.211 0.000 1.102 114 I CA 1.384 62.763 61.300 0.132 0.000 1.385 114 I CB -1.484 36.560 38.000 0.074 0.000 1.064 114 I HN 0.262 nan 8.210 nan 0.000 0.414 115 T N -0.257 114.410 114.554 0.189 0.000 2.720 115 T HA -0.228 4.136 4.350 0.022 0.000 0.268 115 T C 1.959 176.823 174.700 0.274 0.000 1.037 115 T CA 1.447 63.686 62.100 0.232 0.000 1.144 115 T CB -0.472 68.521 68.868 0.207 0.000 0.864 115 T HN 0.352 nan 8.240 nan 0.000 0.444 116 H N 0.008 119.186 119.070 0.179 0.000 2.353 116 H HA -0.074 4.495 4.556 0.022 0.000 0.300 116 H C 2.197 177.609 175.328 0.139 0.000 1.090 116 H CA 1.577 57.714 56.048 0.148 0.000 1.327 116 H CB -0.427 29.394 29.762 0.098 0.000 1.383 116 H HN 0.393 nan 8.280 nan 0.000 0.508 117 F N 2.175 122.201 119.950 0.127 0.000 2.069 117 F HA -0.213 4.324 4.527 0.017 0.000 0.298 117 F C 2.088 177.853 175.800 -0.058 0.000 1.113 117 F CA 1.904 59.928 58.000 0.039 0.000 1.214 117 F CB -0.518 38.496 39.000 0.023 0.000 0.978 117 F HN 0.062 nan 8.300 nan 0.000 0.474 118 D N -0.913 119.464 120.400 -0.039 0.000 2.239 118 D HA -0.202 4.451 4.640 0.022 0.000 0.202 118 D C 1.391 177.339 176.300 -0.587 0.000 0.993 118 D CA 1.505 55.307 54.000 -0.329 0.000 0.874 118 D CB -0.483 40.151 40.800 -0.276 0.000 0.922 118 D HN 0.526 nan 8.370 nan 0.000 0.464 119 H N -0.267 118.693 119.070 -0.182 0.000 2.469 119 H HA 0.209 4.775 4.556 0.017 0.000 0.286 119 H C 1.075 176.252 175.328 -0.252 0.000 1.106 119 H CA -0.084 55.850 56.048 -0.190 0.000 1.055 119 H CB 0.513 30.176 29.762 -0.165 0.000 1.618 119 H HN 0.294 nan 8.280 nan 0.000 0.559 120 E N 0.816 120.864 120.200 -0.253 0.000 2.077 120 E HA -0.069 4.294 4.350 0.022 0.000 0.193 120 E C 0.588 177.057 176.600 -0.220 0.000 0.989 120 E CA 0.646 56.878 56.400 -0.281 0.000 0.800 120 E CB 0.353 29.871 29.700 -0.304 0.000 0.746 120 E HN 0.192 nan 8.360 nan 0.000 0.452 121 R N 1.335 121.753 120.500 -0.136 0.000 2.490 121 R HA 0.285 4.638 4.340 0.022 0.000 0.280 121 R C 0.481 176.826 176.300 0.075 0.000 1.077 121 R CA -0.038 56.056 56.100 -0.011 0.000 1.065 121 R CB 0.336 30.615 30.300 -0.034 0.000 1.003 121 R HN 0.214 nan 8.270 nan 0.000 0.470 122 I N -1.051 119.620 120.570 0.168 0.000 2.846 122 I HA 0.550 4.733 4.170 0.022 0.000 0.307 122 I C -2.286 173.897 176.117 0.111 0.000 1.053 122 I CA -3.001 58.392 61.300 0.154 0.000 1.050 122 I CB 1.909 40.036 38.000 0.213 0.000 1.239 122 I HN 0.256 nan 8.210 nan 0.000 0.439 123 P HA 0.055 nan 4.420 nan 0.000 0.264 123 P C -0.887 176.446 177.300 0.056 0.000 1.183 123 P CA 0.044 63.176 63.100 0.053 0.000 0.763 123 P CB 0.372 32.093 31.700 0.036 0.000 0.807 124 E N 2.537 122.771 120.200 0.056 0.000 2.371 124 E HA 0.221 4.584 4.350 0.022 0.000 0.257 124 E C -0.459 176.168 176.600 0.045 0.000 1.134 124 E CA -0.916 55.522 56.400 0.062 0.000 0.919 124 E CB 0.653 30.396 29.700 0.070 0.000 1.025 124 E HN 0.234 nan 8.360 nan 0.000 0.438 125 R N 1.004 121.534 120.500 0.050 0.000 2.640 125 R HA 0.001 4.354 4.340 0.022 0.000 0.270 125 R C 1.423 177.755 176.300 0.053 0.000 1.024 125 R CA 0.571 56.696 56.100 0.040 0.000 1.085 125 R CB 0.095 30.436 30.300 0.069 0.000 0.963 125 R HN 0.686 nan 8.270 nan 0.000 0.426 126 I N 0.057 120.651 120.570 0.040 0.000 2.226 126 I HA -0.130 4.053 4.170 0.022 0.000 0.245 126 I C 0.658 176.830 176.117 0.091 0.000 1.100 126 I CA 0.946 62.280 61.300 0.057 0.000 1.374 126 I CB -0.274 37.758 38.000 0.053 0.000 1.057 126 I HN 0.207 nan 8.210 nan 0.000 0.413 127 V N -2.858 117.142 119.914 0.143 0.000 3.001 127 V HA 0.493 4.626 4.120 0.022 0.000 0.314 127 V C 0.237 176.503 176.094 0.288 0.000 1.099 127 V CA -0.749 61.673 62.300 0.204 0.000 0.989 127 V CB 1.225 33.258 31.823 0.349 0.000 1.040 127 V HN 0.465 nan 8.190 nan 0.000 0.434 128 H N 0.350 119.484 119.070 0.107 0.000 2.899 128 H HA -0.231 4.338 4.556 0.022 0.000 0.282 128 H C 1.621 176.998 175.328 0.082 0.000 1.198 128 H CA 0.786 56.892 56.048 0.096 0.000 1.140 128 H CB -1.242 28.565 29.762 0.076 0.000 1.317 128 H HN 1.156 nan 8.280 nan 0.000 0.375 129 A N 0.891 123.804 122.820 0.156 0.000 1.978 129 A HA -0.152 4.181 4.320 0.022 0.000 0.220 129 A C 1.716 179.393 177.584 0.154 0.000 1.170 129 A CA 1.581 53.697 52.037 0.131 0.000 0.636 129 A CB -0.167 18.891 19.000 0.096 0.000 0.810 129 A HN 0.297 nan 8.150 nan 0.000 0.448 130 R N 0.060 120.654 120.500 0.156 0.000 2.202 130 R HA 0.505 4.859 4.340 0.022 0.000 0.334 130 R C -0.143 176.287 176.300 0.218 0.000 1.036 130 R CA 0.783 56.995 56.100 0.187 0.000 0.878 130 R CB 0.271 30.668 30.300 0.161 0.000 1.067 130 R HN 0.354 nan 8.270 nan 0.000 0.457 131 G N 1.012 109.963 108.800 0.252 0.000 2.673 131 G HA2 0.471 4.445 3.960 0.022 0.000 0.292 131 G HA3 0.471 4.445 3.960 0.022 0.000 0.292 131 G C -1.615 173.456 174.900 0.285 0.000 1.450 131 G CA -0.639 44.587 45.100 0.210 0.000 0.837 131 G HN 0.495 nan 8.290 nan 0.000 0.505 132 S N -0.882 114.955 115.700 0.228 0.000 2.521 132 S HA 0.898 5.381 4.470 0.022 0.000 0.295 132 S C -0.048 174.608 174.600 0.093 0.000 1.098 132 S CA -0.195 58.195 58.200 0.315 0.000 0.999 132 S CB 1.747 65.241 63.200 0.491 0.000 1.034 132 S HN 1.529 nan 8.310 nan 0.000 0.483 133 A N 1.534 124.372 122.820 0.030 0.000 2.527 133 A HA 1.025 5.359 4.320 0.022 0.000 0.293 133 A C -0.981 176.435 177.584 -0.280 0.000 1.117 133 A CA -0.783 51.053 52.037 -0.335 0.000 0.723 133 A CB 1.603 20.233 19.000 -0.618 0.000 1.313 133 A HN 1.328 nan 8.150 nan 0.000 0.411 134 A N 0.450 122.946 122.820 -0.541 0.000 2.604 134 A HA 0.703 5.036 4.320 0.022 0.000 0.295 134 A C -1.120 176.280 177.584 -0.306 0.000 1.067 134 A CA -0.645 51.230 52.037 -0.270 0.000 0.683 134 A CB 0.743 19.680 19.000 -0.106 0.000 1.281 134 A HN 0.875 nan 8.150 nan 0.000 0.407 135 H N -0.169 118.928 119.070 0.044 0.000 2.505 135 H HA 0.657 5.226 4.556 0.022 0.000 0.351 135 H C 0.649 175.985 175.328 0.013 0.000 1.151 135 H CA 1.050 57.176 56.048 0.130 0.000 1.339 135 H CB 1.803 31.634 29.762 0.114 0.000 1.483 135 H HN 1.141 nan 8.280 nan 0.000 0.558 136 G N 0.874 109.781 108.800 0.178 0.000 2.500 136 G HA2 0.362 4.335 3.960 0.022 0.000 0.299 136 G HA3 0.362 4.335 3.960 0.022 0.000 0.299 136 G C -2.083 172.956 174.900 0.231 0.000 1.242 136 G CA -0.615 44.549 45.100 0.106 0.000 0.859 136 G HN 0.610 nan 8.290 nan 0.000 0.481 137 Y N -1.799 118.540 120.300 0.065 0.000 2.609 137 Y HA 0.838 5.401 4.550 0.022 0.000 0.336 137 Y C -1.867 174.168 175.900 0.225 0.000 1.129 137 Y CA -2.306 55.875 58.100 0.135 0.000 1.040 137 Y CB 1.609 40.122 38.460 0.089 0.000 1.310 137 Y HN 0.878 nan 8.280 nan 0.000 0.460 138 F N 2.038 122.120 119.950 0.222 0.000 2.563 138 F HA 0.746 5.287 4.527 0.022 0.000 0.316 138 F C -1.316 174.670 175.800 0.310 0.000 1.076 138 F CA -0.676 57.461 58.000 0.228 0.000 0.921 138 F CB 2.450 41.723 39.000 0.454 0.000 1.209 138 F HN 0.796 nan 8.300 nan 0.000 0.462 139 Q N 6.292 125.545 119.800 -0.912 0.000 2.284 139 Q HA 0.456 4.809 4.340 0.022 0.000 0.269 139 Q C -2.943 172.400 176.000 -1.094 0.000 1.026 139 Q CA -2.306 53.078 55.803 -0.697 0.000 0.831 139 Q CB 3.022 31.648 28.738 -0.186 0.000 1.322 139 Q HN 0.343 nan 8.270 nan 0.000 0.419 140 P HA 0.072 nan 4.420 nan 0.000 0.277 140 P C -0.391 176.759 177.300 -0.250 0.000 1.240 140 P CA -0.049 62.785 63.100 -0.444 0.000 0.798 140 P CB 0.559 32.174 31.700 -0.142 0.000 0.979 141 Y N 0.755 120.994 120.300 -0.100 0.000 2.314 141 Y HA -0.028 4.536 4.550 0.022 0.000 0.293 141 Y C 1.517 177.390 175.900 -0.045 0.000 1.129 141 Y CA 1.103 59.167 58.100 -0.060 0.000 1.201 141 Y CB -0.297 38.138 38.460 -0.042 0.000 0.999 141 Y HN 0.389 nan 8.280 nan 0.000 0.541 142 K N -1.992 118.462 120.400 0.089 0.000 2.578 142 K HA 0.433 4.766 4.320 0.022 0.000 0.287 142 K C -0.654 175.949 176.600 0.004 0.000 1.010 142 K CA -0.885 55.428 56.287 0.043 0.000 0.889 142 K CB 1.585 34.112 32.500 0.046 0.000 1.514 142 K HN -0.244 nan 8.250 nan 0.000 0.424 143 S N 0.583 116.284 115.700 0.000 0.000 2.549 143 S HA 0.131 4.615 4.470 0.022 0.000 0.286 143 S C 0.528 175.116 174.600 -0.020 0.000 1.314 143 S CA -0.535 57.657 58.200 -0.014 0.000 1.062 143 S CB -0.203 62.993 63.200 -0.008 0.000 0.865 143 S HN 0.525 nan 8.310 nan 0.000 0.498 144 L N 4.609 125.810 121.223 -0.037 0.000 2.818 144 L HA 0.168 4.521 4.340 0.022 0.000 0.243 144 L C 1.980 178.833 176.870 -0.028 0.000 1.185 144 L CA -0.177 54.648 54.840 -0.024 0.000 0.988 144 L CB -0.246 41.804 42.059 -0.014 0.000 1.292 144 L HN 0.609 nan 8.230 nan 0.000 0.519 145 S N 0.537 116.218 115.700 -0.032 0.000 2.413 145 S HA -0.223 4.260 4.470 0.022 0.000 0.237 145 S C 1.391 175.972 174.600 -0.030 0.000 1.044 145 S CA 1.739 59.920 58.200 -0.033 0.000 1.024 145 S CB -0.108 63.079 63.200 -0.022 0.000 0.829 145 S HN 0.508 nan 8.310 nan 0.000 0.475 146 D N 0.995 121.382 120.400 -0.022 0.000 2.178 146 D HA -0.061 4.592 4.640 0.022 0.000 0.201 146 D C 1.769 178.050 176.300 -0.031 0.000 0.980 146 D CA 1.109 55.096 54.000 -0.022 0.000 0.842 146 D CB -0.161 40.633 40.800 -0.011 0.000 0.948 146 D HN 0.672 nan 8.370 nan 0.000 0.472 147 I N -4.226 116.327 120.570 -0.029 0.000 3.790 147 I HA 0.201 4.385 4.170 0.022 0.000 0.305 147 I C 0.599 176.672 176.117 -0.073 0.000 1.253 147 I CA 0.064 61.338 61.300 -0.045 0.000 1.355 147 I CB 0.912 38.905 38.000 -0.012 0.000 1.137 147 I HN -0.226 nan 8.210 nan 0.000 0.435 148 T N 1.494 116.007 114.554 -0.068 0.000 2.956 148 T HA 0.336 4.699 4.350 0.022 0.000 0.312 148 T C -0.007 174.639 174.700 -0.090 0.000 1.151 148 T CA -0.736 61.305 62.100 -0.098 0.000 1.024 148 T CB 1.853 70.654 68.868 -0.110 0.000 1.140 148 T HN 0.425 nan 8.240 nan 0.000 0.473 149 K N 2.420 122.765 120.400 -0.091 0.000 2.417 149 K HA 0.560 4.893 4.320 0.022 0.000 0.196 149 K C 0.731 177.293 176.600 -0.063 0.000 1.023 149 K CA -0.311 55.935 56.287 -0.068 0.000 1.122 149 K CB 0.206 32.670 32.500 -0.060 0.000 0.850 149 K HN 0.509 nan 8.250 nan 0.000 0.521 150 A N 2.200 124.962 122.820 -0.098 0.000 2.545 150 A HA -0.073 4.260 4.320 0.022 0.000 0.253 150 A C 0.570 178.115 177.584 -0.066 0.000 1.074 150 A CA 0.183 52.172 52.037 -0.080 0.000 0.760 150 A CB -0.031 18.863 19.000 -0.176 0.000 1.005 150 A HN 0.481 nan 8.150 nan 0.000 0.506 151 D N 2.333 122.764 120.400 0.053 0.000 2.144 151 D HA -0.220 4.433 4.640 0.022 0.000 0.199 151 D C 1.350 177.727 176.300 0.128 0.000 0.984 151 D CA 2.210 56.258 54.000 0.080 0.000 0.834 151 D CB -0.225 40.643 40.800 0.114 0.000 0.955 151 D HN 0.731 nan 8.370 nan 0.000 0.465 152 F N -0.443 119.535 119.950 0.046 0.000 2.546 152 F HA 0.119 4.660 4.527 0.023 0.000 0.298 152 F C 1.148 177.041 175.800 0.156 0.000 1.120 152 F CA 0.585 58.656 58.000 0.117 0.000 1.456 152 F CB -0.496 38.575 39.000 0.119 0.000 1.088 152 F HN -0.003 nan 8.300 nan 0.000 0.572 153 L N 0.494 121.445 121.223 -0.454 0.000 2.808 153 L HA 0.187 4.540 4.340 0.022 0.000 0.246 153 L C 1.947 178.728 176.870 -0.149 0.000 1.153 153 L CA 0.506 55.127 54.840 -0.364 0.000 0.956 153 L CB -0.144 41.570 42.059 -0.574 0.000 1.270 153 L HN 0.307 nan 8.230 nan 0.000 0.528 154 S N -2.294 113.358 115.700 -0.080 0.000 2.558 154 S HA 0.034 4.517 4.470 0.022 0.000 0.217 154 S C 0.343 174.937 174.600 -0.011 0.000 0.975 154 S CA -0.053 58.124 58.200 -0.038 0.000 0.912 154 S CB 0.080 63.270 63.200 -0.015 0.000 0.776 154 S HN 0.347 nan 8.310 nan 0.000 0.526 155 D N 0.454 120.856 120.400 0.002 0.000 2.931 155 D HA 0.305 4.958 4.640 0.022 0.000 0.215 155 D C -2.597 173.711 176.300 0.013 0.000 1.297 155 D CA -1.706 52.302 54.000 0.013 0.000 0.892 155 D CB 2.087 42.903 40.800 0.027 0.000 1.642 155 D HN -0.179 nan 8.370 nan 0.000 0.560 156 P HA -0.037 nan 4.420 nan 0.000 0.225 156 P C 0.511 177.820 177.300 0.015 0.000 1.148 156 P CA 0.638 63.742 63.100 0.006 0.000 0.779 156 P CB 0.487 32.204 31.700 0.028 0.000 0.780 157 N N -0.384 118.331 118.700 0.025 0.000 2.299 157 N HA 0.001 4.754 4.740 0.022 0.000 0.187 157 N C 0.670 176.206 175.510 0.044 0.000 1.099 157 N CA 0.206 53.274 53.050 0.031 0.000 0.867 157 N CB 0.149 38.652 38.487 0.026 0.000 0.974 157 N HN 0.247 nan 8.380 nan 0.000 0.477 158 K N 1.921 122.356 120.400 0.057 0.000 2.310 158 K HA 0.154 4.488 4.320 0.022 0.000 0.290 158 K C -0.478 176.202 176.600 0.134 0.000 1.077 158 K CA -0.194 56.150 56.287 0.094 0.000 0.922 158 K CB 0.347 32.912 32.500 0.109 0.000 1.057 158 K HN -0.142 nan 8.250 nan 0.000 0.479 159 I N 4.061 124.716 120.570 0.141 0.000 2.353 159 I HA 0.148 4.332 4.170 0.022 0.000 0.293 159 I C 0.070 176.351 176.117 0.273 0.000 0.992 159 I CA -0.408 61.009 61.300 0.195 0.000 1.268 159 I CB 1.358 39.428 38.000 0.118 0.000 1.387 159 I HN 0.562 nan 8.210 nan 0.000 0.478 160 T N 7.946 122.748 114.554 0.413 0.000 2.772 160 T HA 0.363 4.726 4.350 0.022 0.000 0.288 160 T C -2.428 172.532 174.700 0.433 0.000 0.994 160 T CA -1.320 61.056 62.100 0.460 0.000 0.951 160 T CB 1.475 70.741 68.868 0.662 0.000 0.933 160 T HN 0.300 nan 8.240 nan 0.000 0.447 161 P HA 0.239 nan 4.420 nan 0.000 0.269 161 P C -0.599 176.947 177.300 0.410 0.000 1.209 161 P CA -0.369 62.928 63.100 0.329 0.000 0.776 161 P CB 0.498 32.315 31.700 0.195 0.000 0.876 162 V N -0.314 119.789 119.914 0.314 0.000 3.130 162 V HA 0.725 4.858 4.120 0.022 0.000 0.310 162 V C -1.320 174.935 176.094 0.268 0.000 1.158 162 V CA -0.959 61.430 62.300 0.149 0.000 1.029 162 V CB 2.305 34.000 31.823 -0.214 0.000 1.057 162 V HN 0.315 nan 8.190 nan 0.000 0.436 163 F N 1.732 121.660 119.950 -0.036 0.000 2.536 163 F HA 0.842 5.382 4.527 0.022 0.000 0.322 163 F C -0.831 174.861 175.800 -0.180 0.000 1.144 163 F CA -0.766 57.154 58.000 -0.133 0.000 0.924 163 F CB 1.879 40.812 39.000 -0.111 0.000 1.181 163 F HN 0.516 nan 8.300 nan 0.000 0.438 164 V N 6.472 125.933 119.914 -0.755 0.000 2.555 164 V HA 0.591 4.724 4.120 0.022 0.000 0.302 164 V C -0.689 174.776 176.094 -1.048 0.000 1.038 164 V CA -0.875 60.924 62.300 -0.835 0.000 0.887 164 V CB 2.041 33.294 31.823 -0.951 0.000 0.991 164 V HN 0.727 nan 8.190 nan 0.000 0.434 165 R N 3.138 123.048 120.500 -0.984 0.000 2.480 165 R HA 0.644 4.998 4.340 0.022 0.000 0.306 165 R C -1.766 173.988 176.300 -0.910 0.000 0.958 165 R CA -0.401 55.226 56.100 -0.788 0.000 0.861 165 R CB 1.195 31.251 30.300 -0.407 0.000 1.171 165 R HN 0.517 nan 8.270 nan 0.000 0.445 166 F N 1.817 121.394 119.950 -0.621 0.000 2.470 166 F HA 0.593 5.133 4.527 0.022 0.000 0.329 166 F C 0.403 175.835 175.800 -0.613 0.000 1.072 166 F CA -0.179 57.303 58.000 -0.862 0.000 0.989 166 F CB 2.218 40.217 39.000 -1.669 0.000 1.193 166 F HN 0.677 nan 8.300 nan 0.000 0.481 167 S N -1.267 114.330 115.700 -0.171 0.000 2.672 167 S HA 0.714 5.197 4.470 0.022 0.000 0.271 167 S C -0.661 174.075 174.600 0.226 0.000 1.171 167 S CA -0.784 57.476 58.200 0.099 0.000 0.817 167 S CB 1.447 64.769 63.200 0.203 0.000 1.150 167 S HN 0.730 nan 8.310 nan 0.000 0.478 168 T N -2.002 112.681 114.554 0.215 0.000 2.892 168 T HA 0.740 5.103 4.350 0.022 0.000 0.280 168 T C 0.677 175.345 174.700 -0.053 0.000 1.004 168 T CA -0.263 61.927 62.100 0.150 0.000 0.950 168 T CB 0.701 69.666 68.868 0.163 0.000 1.309 168 T HN 0.568 nan 8.240 nan 0.000 0.592 169 V N -0.009 119.843 119.914 -0.104 0.000 2.854 169 V HA 0.107 4.241 4.120 0.022 0.000 0.236 169 V C 2.747 178.772 176.094 -0.115 0.000 1.157 169 V CA 0.422 62.535 62.300 -0.313 0.000 1.187 169 V CB -0.252 31.472 31.823 -0.166 0.000 0.949 169 V HN 0.879 nan 8.190 nan 0.000 0.488 170 Q N 1.143 120.916 119.800 -0.044 0.000 2.062 170 Q HA 0.056 4.410 4.340 0.022 0.000 0.196 170 Q C 1.293 177.282 176.000 -0.018 0.000 0.967 170 Q CA 1.411 57.192 55.803 -0.038 0.000 0.832 170 Q CB -0.287 28.420 28.738 -0.053 0.000 0.899 170 Q HN 0.577 nan 8.270 nan 0.000 0.442 171 G N -0.071 108.731 108.800 0.003 0.000 2.569 171 G HA2 0.393 4.366 3.960 0.022 0.000 0.249 171 G HA3 0.393 4.366 3.960 0.022 0.000 0.249 171 G C 0.141 175.057 174.900 0.027 0.000 1.216 171 G CA 0.066 45.172 45.100 0.010 0.000 0.845 171 G HN 0.340 nan 8.290 nan 0.000 0.568 172 G N -0.983 107.828 108.800 0.018 0.000 2.653 172 G HA2 0.468 4.441 3.960 0.022 0.000 0.265 172 G HA3 0.468 4.441 3.960 0.022 0.000 0.265 172 G C 1.343 176.279 174.900 0.060 0.000 1.237 172 G CA 0.436 45.555 45.100 0.033 0.000 0.946 172 G HN 1.073 nan 8.290 nan 0.000 0.522 173 A N -0.633 122.233 122.820 0.077 0.000 2.019 173 A HA 0.117 4.450 4.320 0.022 0.000 0.219 173 A C 2.246 179.879 177.584 0.081 0.000 1.164 173 A CA 1.979 54.082 52.037 0.111 0.000 0.644 173 A CB -0.414 18.666 19.000 0.134 0.000 0.805 173 A HN 1.124 nan 8.150 nan 0.000 0.449 174 G N -0.161 108.666 108.800 0.045 0.000 3.233 174 G HA2 0.329 4.302 3.960 0.022 0.000 0.227 174 G HA3 0.329 4.302 3.960 0.022 0.000 0.227 174 G C 0.695 175.604 174.900 0.014 0.000 1.175 174 G CA 0.657 45.769 45.100 0.019 0.000 0.781 174 G HN 0.674 nan 8.290 nan 0.000 0.542 175 S N -0.271 115.446 115.700 0.028 0.000 2.686 175 S HA 0.753 5.237 4.470 0.022 0.000 0.270 175 S C 0.483 175.102 174.600 0.031 0.000 1.194 175 S CA -0.081 58.131 58.200 0.020 0.000 0.990 175 S CB 1.600 64.813 63.200 0.021 0.000 1.029 175 S HN 0.540 nan 8.310 nan 0.000 0.560 176 A N 0.253 123.086 122.820 0.021 0.000 2.304 176 A HA 0.406 4.739 4.320 0.022 0.000 0.271 176 A C 0.664 178.276 177.584 0.046 0.000 1.091 176 A CA -0.527 51.520 52.037 0.017 0.000 0.812 176 A CB -0.142 18.848 19.000 -0.016 0.000 1.056 176 A HN 0.885 nan 8.150 nan 0.000 0.489 177 D N 0.382 120.801 120.400 0.031 0.000 2.120 177 D HA -0.070 4.583 4.640 0.022 0.000 0.202 177 D C 1.653 177.936 176.300 -0.029 0.000 0.972 177 D CA 2.253 56.283 54.000 0.051 0.000 0.837 177 D CB -0.299 40.493 40.800 -0.014 0.000 0.989 177 D HN 0.684 nan 8.370 nan 0.000 0.469 178 T N -0.096 114.359 114.554 -0.165 0.000 3.406 178 T HA 0.258 4.621 4.350 0.022 0.000 0.244 178 T C 0.878 175.568 174.700 -0.017 0.000 0.949 178 T CA -0.531 61.461 62.100 -0.179 0.000 0.926 178 T CB -0.985 67.703 68.868 -0.301 0.000 1.089 178 T HN -0.071 nan 8.240 nan 0.000 0.604 179 V N -1.252 118.703 119.914 0.069 0.000 3.319 179 V HA 0.429 4.562 4.120 0.022 0.000 0.303 179 V C 0.681 176.916 176.094 0.234 0.000 1.094 179 V CA -1.433 60.958 62.300 0.151 0.000 1.106 179 V CB 0.445 32.344 31.823 0.127 0.000 1.099 179 V HN 0.535 nan 8.190 nan 0.000 0.476 180 R N 1.695 122.380 120.500 0.310 0.000 2.216 180 R HA 0.477 4.830 4.340 0.022 0.000 0.332 180 R C -0.926 175.450 176.300 0.127 0.000 1.056 180 R CA -0.059 56.172 56.100 0.218 0.000 0.901 180 R CB 0.173 30.520 30.300 0.077 0.000 1.039 180 R HN 1.070 nan 8.270 nan 0.000 0.456 181 D N 3.169 123.656 120.400 0.146 0.000 2.769 181 D HA 0.195 4.848 4.640 0.022 0.000 0.309 181 D C -0.707 175.701 176.300 0.179 0.000 1.315 181 D CA -0.598 53.481 54.000 0.133 0.000 0.780 181 D CB 1.140 42.011 40.800 0.119 0.000 1.312 181 D HN 0.225 nan 8.370 nan 0.000 0.437 182 I N 1.093 121.784 120.570 0.202 0.000 2.823 182 I HA 0.324 4.507 4.170 0.022 0.000 0.290 182 I C 0.722 176.970 176.117 0.219 0.000 1.091 182 I CA -0.226 61.199 61.300 0.208 0.000 1.365 182 I CB 0.284 38.428 38.000 0.240 0.000 1.427 182 I HN 0.255 nan 8.210 nan 0.000 0.583 183 R N 2.303 122.954 120.500 0.253 0.000 2.562 183 R HA 0.548 4.901 4.340 0.022 0.000 0.298 183 R C -0.091 176.397 176.300 0.314 0.000 0.961 183 R CA -0.723 55.545 56.100 0.280 0.000 0.881 183 R CB 1.477 31.965 30.300 0.314 0.000 1.159 183 R HN 0.812 nan 8.270 nan 0.000 0.450 184 G N 0.997 110.000 108.800 0.339 0.000 2.448 184 G HA2 0.487 4.460 3.960 0.022 0.000 0.285 184 G HA3 0.487 4.460 3.960 0.022 0.000 0.285 184 G C -1.234 173.766 174.900 0.167 0.000 1.176 184 G CA -0.044 45.252 45.100 0.327 0.000 0.852 184 G HN 0.371 nan 8.290 nan 0.000 0.530 185 F N 1.530 121.391 119.950 -0.148 0.000 3.228 185 F HA 0.614 5.154 4.527 0.022 0.000 0.385 185 F C -0.316 175.211 175.800 -0.455 0.000 1.247 185 F CA -1.794 56.024 58.000 -0.303 0.000 1.211 185 F CB 0.821 39.762 39.000 -0.098 0.000 1.719 185 F HN 0.683 nan 8.300 nan 0.000 0.630 186 A N 3.149 125.726 122.820 -0.405 0.000 2.318 186 A HA 0.812 5.145 4.320 0.022 0.000 0.324 186 A C -0.578 176.547 177.584 -0.765 0.000 1.170 186 A CA -0.431 51.163 52.037 -0.738 0.000 0.810 186 A CB 0.899 19.094 19.000 -1.343 0.000 1.198 186 A HN 0.523 nan 8.150 nan 0.000 0.484 187 T N 2.200 116.453 114.554 -0.501 0.000 2.840 187 T HA 0.400 4.763 4.350 0.022 0.000 0.287 187 T C -0.434 174.073 174.700 -0.322 0.000 0.991 187 T CA -0.475 61.363 62.100 -0.437 0.000 0.964 187 T CB 1.093 69.656 68.868 -0.508 0.000 0.954 187 T HN 0.651 nan 8.240 nan 0.000 0.438 188 K N 3.422 123.706 120.400 -0.194 0.000 2.263 188 K HA 0.489 4.822 4.320 0.022 0.000 0.272 188 K C -1.318 174.949 176.600 -0.555 0.000 1.033 188 K CA -0.594 55.506 56.287 -0.312 0.000 0.884 188 K CB 0.358 32.629 32.500 -0.381 0.000 1.107 188 K HN 0.376 nan 8.250 nan 0.000 0.460 189 F N 4.374 124.033 119.950 -0.485 0.000 2.385 189 F HA 0.247 4.787 4.527 0.022 0.000 0.360 189 F C -0.470 175.136 175.800 -0.323 0.000 1.122 189 F CA -0.597 57.188 58.000 -0.359 0.000 1.090 189 F CB 0.723 39.429 39.000 -0.489 0.000 1.150 189 F HN 0.451 nan 8.300 nan 0.000 0.472 190 Y N 1.864 122.228 120.300 0.106 0.000 2.632 190 Y HA 0.199 4.762 4.550 0.021 0.000 0.336 190 Y C 1.091 177.054 175.900 0.105 0.000 1.237 190 Y CA -0.810 57.333 58.100 0.072 0.000 1.595 190 Y CB -0.297 38.195 38.460 0.053 0.000 1.508 190 Y HN 0.547 nan 8.280 nan 0.000 0.480 191 T N -2.405 112.252 114.554 0.172 0.000 2.816 191 T HA 0.153 4.516 4.350 0.022 0.000 0.282 191 T C 1.044 175.840 174.700 0.161 0.000 0.993 191 T CA -0.619 61.588 62.100 0.178 0.000 0.994 191 T CB 1.032 69.987 68.868 0.145 0.000 1.025 191 T HN 0.640 nan 8.240 nan 0.000 0.529 192 E N 0.001 120.299 120.200 0.163 0.000 2.347 192 E HA -0.024 4.339 4.350 0.022 0.000 0.196 192 E C 1.053 177.719 176.600 0.110 0.000 1.008 192 E CA 0.702 57.179 56.400 0.128 0.000 0.852 192 E CB 0.127 29.898 29.700 0.118 0.000 0.783 192 E HN 0.739 nan 8.360 nan 0.000 0.505 193 E N 0.090 120.358 120.200 0.114 0.000 2.651 193 E HA 0.276 4.639 4.350 0.022 0.000 0.208 193 E C -0.013 176.633 176.600 0.077 0.000 0.997 193 E CA -0.284 56.173 56.400 0.096 0.000 1.020 193 E CB 1.349 31.108 29.700 0.098 0.000 1.052 193 E HN 0.178 nan 8.360 nan 0.000 0.465 194 G N 0.951 109.791 108.800 0.067 0.000 2.362 194 G HA2 -0.082 3.891 3.960 0.022 0.000 0.656 194 G HA3 -0.082 3.891 3.960 0.022 0.000 0.656 194 G C -1.051 173.854 174.900 0.008 0.000 1.376 194 G CA -1.144 43.970 45.100 0.024 0.000 0.971 194 G HN -0.003 nan 8.290 nan 0.000 0.636 195 I N 0.617 121.153 120.570 -0.056 0.000 2.588 195 I HA 0.476 4.659 4.170 0.022 0.000 0.283 195 I C 0.150 176.265 176.117 -0.004 0.000 1.119 195 I CA -0.394 60.848 61.300 -0.096 0.000 1.419 195 I CB 0.887 38.758 38.000 -0.214 0.000 1.394 195 I HN 0.489 nan 8.210 nan 0.000 0.562 196 F N 6.270 126.109 119.950 -0.186 0.000 2.460 196 F HA 0.456 4.996 4.527 0.022 0.000 0.341 196 F C -0.645 175.110 175.800 -0.076 0.000 1.130 196 F CA -1.186 56.701 58.000 -0.189 0.000 0.962 196 F CB 0.809 39.550 39.000 -0.432 0.000 1.171 196 F HN 0.352 nan 8.300 nan 0.000 0.436 197 D N 6.450 126.652 120.400 -0.330 0.000 2.233 197 D HA 0.276 4.929 4.640 0.022 0.000 0.240 197 D C -1.047 174.763 176.300 -0.817 0.000 1.074 197 D CA -0.120 53.629 54.000 -0.418 0.000 0.838 197 D CB 2.251 43.006 40.800 -0.075 0.000 1.124 197 D HN 0.488 nan 8.370 nan 0.000 0.475 198 L N 3.966 124.695 121.223 -0.823 0.000 2.283 198 L HA 0.281 4.634 4.340 0.022 0.000 0.281 198 L C -1.116 175.524 176.870 -0.383 0.000 1.033 198 L CA -0.756 53.666 54.840 -0.697 0.000 0.848 198 L CB 1.079 42.753 42.059 -0.642 0.000 1.226 198 L HN 0.067 nan 8.230 nan 0.000 0.429 199 V N 5.954 125.691 119.914 -0.294 0.000 2.270 199 V HA 0.737 4.871 4.120 0.022 0.000 0.263 199 V C 0.845 176.848 176.094 -0.152 0.000 1.066 199 V CA -0.005 62.140 62.300 -0.258 0.000 0.857 199 V CB 0.139 31.804 31.823 -0.264 0.000 1.099 199 V HN 0.854 nan 8.190 nan 0.000 0.476 200 G N 3.241 111.956 108.800 -0.141 0.000 3.013 200 G HA2 0.660 4.634 3.960 0.022 0.000 0.278 200 G HA3 0.660 4.634 3.960 0.022 0.000 0.278 200 G C -0.885 174.037 174.900 0.037 0.000 1.353 200 G CA -0.617 44.453 45.100 -0.050 0.000 1.043 200 G HN 0.468 nan 8.290 nan 0.000 0.523 201 N N -0.984 117.785 118.700 0.116 0.000 2.890 201 N HA 0.254 5.008 4.740 0.022 0.000 0.317 201 N C 0.372 176.062 175.510 0.299 0.000 1.355 201 N CA -0.727 52.456 53.050 0.223 0.000 0.803 201 N CB 1.194 39.813 38.487 0.219 0.000 1.465 201 N HN 0.536 nan 8.380 nan 0.000 0.591 202 N N -1.254 117.639 118.700 0.321 0.000 2.268 202 N HA 0.002 4.755 4.740 0.022 0.000 0.204 202 N C -0.602 175.144 175.510 0.394 0.000 1.124 202 N CA -0.109 53.184 53.050 0.404 0.000 0.838 202 N CB -0.135 38.571 38.487 0.366 0.000 0.994 202 N HN 0.528 nan 8.380 nan 0.000 0.489 203 T N -3.365 111.231 114.554 0.071 0.000 2.900 203 T HA 0.462 4.825 4.350 0.022 0.000 0.295 203 T C -2.602 171.443 174.700 -1.092 0.000 1.044 203 T CA -1.641 60.065 62.100 -0.655 0.000 0.995 203 T CB 2.963 71.397 68.868 -0.724 0.000 1.072 203 T HN -0.241 nan 8.240 nan 0.000 0.473 204 P HA 0.194 nan 4.420 nan 0.000 0.245 204 P C 0.427 177.200 177.300 -0.879 0.000 1.212 204 P CA 0.083 62.229 63.100 -1.590 0.000 0.774 204 P CB -0.098 30.647 31.700 -1.591 0.000 0.999 205 I N -4.779 115.262 120.570 -0.880 0.000 3.174 205 I HA 0.566 4.749 4.170 0.022 0.000 0.313 205 I C -1.305 174.544 176.117 -0.446 0.000 1.155 205 I CA -1.781 59.165 61.300 -0.590 0.000 0.977 205 I CB 1.389 39.035 38.000 -0.591 0.000 1.248 205 I HN -0.290 nan 8.210 nan 0.000 0.453 206 F N 0.945 120.631 119.950 -0.441 0.000 2.572 206 F HA 0.567 5.107 4.527 0.022 0.000 0.342 206 F C 0.431 176.018 175.800 -0.354 0.000 1.064 206 F CA -0.991 56.794 58.000 -0.358 0.000 1.008 206 F CB 1.481 40.386 39.000 -0.159 0.000 1.303 206 F HN 0.394 nan 8.300 nan 0.000 0.492 207 F N 1.755 120.997 119.950 -1.179 0.000 2.259 207 F HA 0.071 4.611 4.527 0.022 0.000 0.298 207 F C 0.679 176.208 175.800 -0.451 0.000 1.088 207 F CA 0.902 58.373 58.000 -0.881 0.000 1.358 207 F CB -0.329 37.776 39.000 -1.491 0.000 1.040 207 F HN 0.150 nan 8.300 nan 0.000 0.505 208 I N -3.469 117.087 120.570 -0.022 0.000 3.002 208 I HA 0.398 4.581 4.170 0.022 0.000 0.310 208 I C 0.402 176.647 176.117 0.213 0.000 1.087 208 I CA -0.833 60.544 61.300 0.129 0.000 1.017 208 I CB 1.838 39.967 38.000 0.215 0.000 1.226 208 I HN -0.184 nan 8.210 nan 0.000 0.443 209 Q N 0.221 120.151 119.800 0.215 0.000 2.324 209 Q HA 0.151 4.505 4.340 0.022 0.000 0.207 209 Q C -0.272 175.891 176.000 0.272 0.000 0.928 209 Q CA 0.577 56.548 55.803 0.279 0.000 0.890 209 Q CB 0.498 29.469 28.738 0.389 0.000 1.001 209 Q HN 0.670 nan 8.270 nan 0.000 0.517 210 D N -1.114 119.420 120.400 0.223 0.000 2.498 210 D HA 0.317 4.970 4.640 0.022 0.000 0.247 210 D C 0.074 176.492 176.300 0.198 0.000 1.070 210 D CA -0.196 53.908 54.000 0.174 0.000 0.842 210 D CB 1.862 42.739 40.800 0.129 0.000 1.361 210 D HN 0.046 nan 8.370 nan 0.000 0.484 211 A N 3.276 126.184 122.820 0.148 0.000 1.978 211 A HA -0.250 4.084 4.320 0.022 0.000 0.220 211 A C 1.823 179.516 177.584 0.182 0.000 1.170 211 A CA 1.794 53.912 52.037 0.134 0.000 0.636 211 A CB -0.836 18.190 19.000 0.044 0.000 0.810 211 A HN 0.821 nan 8.150 nan 0.000 0.448 212 H N -0.120 119.001 119.070 0.085 0.000 2.457 212 H HA -0.022 4.547 4.556 0.022 0.000 0.297 212 H C 1.548 176.945 175.328 0.115 0.000 1.092 212 H CA 1.840 57.932 56.048 0.073 0.000 1.309 212 H CB 0.076 29.860 29.762 0.036 0.000 1.382 212 H HN 0.388 nan 8.280 nan 0.000 0.535 213 K N -0.694 119.826 120.400 0.199 0.000 2.404 213 K HA -0.033 4.300 4.320 0.022 0.000 0.194 213 K C 1.233 177.963 176.600 0.217 0.000 1.023 213 K CA -0.090 56.314 56.287 0.195 0.000 1.094 213 K CB 0.099 32.767 32.500 0.279 0.000 0.841 213 K HN 0.244 nan 8.250 nan 0.000 0.523 214 F N 3.042 123.040 119.950 0.080 0.000 2.095 214 F HA -0.136 4.404 4.527 0.021 0.000 0.298 214 F C -1.102 174.707 175.800 0.015 0.000 1.104 214 F CA 1.229 59.298 58.000 0.115 0.000 1.232 214 F CB -0.699 38.359 39.000 0.097 0.000 0.987 214 F HN 0.020 nan 8.300 nan 0.000 0.475 215 P HA -0.126 nan 4.420 nan 0.000 0.217 215 P C 1.210 178.204 177.300 -0.511 0.000 1.150 215 P CA 1.797 64.678 63.100 -0.365 0.000 0.832 215 P CB -0.047 31.450 31.700 -0.338 0.000 0.787 216 D N -1.113 119.122 120.400 -0.275 0.000 2.084 216 D HA -0.170 4.483 4.640 0.022 0.000 0.194 216 D C 1.792 177.807 176.300 -0.475 0.000 0.990 216 D CA 1.106 54.975 54.000 -0.219 0.000 0.826 216 D CB -0.893 39.938 40.800 0.052 0.000 0.971 216 D HN 0.125 nan 8.370 nan 0.000 0.453 217 F N 1.952 121.504 119.950 -0.663 0.000 2.102 217 F HA -0.210 4.330 4.527 0.022 0.000 0.298 217 F C 2.235 177.643 175.800 -0.653 0.000 1.105 217 F CA 1.068 58.482 58.000 -0.976 0.000 1.239 217 F CB -0.372 38.279 39.000 -0.581 0.000 0.991 217 F HN -0.241 nan 8.300 nan 0.000 0.474 218 V N 0.233 119.737 119.914 -0.684 0.000 2.358 218 V HA -0.324 3.809 4.120 0.022 0.000 0.246 218 V C 2.344 178.235 176.094 -0.338 0.000 1.047 218 V CA 2.389 64.339 62.300 -0.584 0.000 1.035 218 V CB -1.063 30.441 31.823 -0.531 0.000 0.658 218 V HN 0.470 nan 8.190 nan 0.000 0.452 219 H N -0.224 118.625 119.070 -0.368 0.000 2.387 219 H HA -0.120 4.449 4.556 0.022 0.000 0.299 219 H C 2.328 177.510 175.328 -0.244 0.000 1.090 219 H CA 1.034 56.943 56.048 -0.232 0.000 1.332 219 H CB 0.066 29.740 29.762 -0.147 0.000 1.386 219 H HN 0.490 nan 8.280 nan 0.000 0.516 220 A N 0.431 123.074 122.820 -0.296 0.000 1.898 220 A HA -0.106 4.228 4.320 0.022 0.000 0.216 220 A C 2.504 179.913 177.584 -0.291 0.000 1.181 220 A CA 1.306 53.156 52.037 -0.311 0.000 0.620 220 A CB -0.724 17.970 19.000 -0.511 0.000 0.819 220 A HN 0.294 nan 8.150 nan 0.000 0.442 221 V N -0.085 119.531 119.914 -0.497 0.000 2.591 221 V HA -0.021 4.113 4.120 0.022 0.000 0.249 221 V C 0.987 177.058 176.094 -0.039 0.000 1.053 221 V CA 0.948 63.050 62.300 -0.330 0.000 1.068 221 V CB -0.485 30.978 31.823 -0.601 0.000 0.689 221 V HN 0.348 nan 8.190 nan 0.000 0.462 222 K N 0.837 121.189 120.400 -0.080 0.000 2.156 222 K HA 0.223 4.557 4.320 0.022 0.000 0.242 222 K C -2.274 174.314 176.600 -0.020 0.000 1.033 222 K CA -1.584 54.677 56.287 -0.043 0.000 0.878 222 K CB -0.465 31.991 32.500 -0.073 0.000 1.057 222 K HN 0.158 nan 8.250 nan 0.000 0.505 223 P HA -0.003 nan 4.420 nan 0.000 0.266 223 P C -0.616 176.639 177.300 -0.076 0.000 1.195 223 P CA 0.376 63.360 63.100 -0.193 0.000 0.768 223 P CB 0.342 31.933 31.700 -0.182 0.000 0.838 224 E N 5.336 125.532 120.200 -0.006 0.000 2.384 224 E HA -0.013 4.350 4.350 0.022 0.000 0.266 224 E C -1.197 175.496 176.600 0.156 0.000 1.012 224 E CA -1.255 55.250 56.400 0.175 0.000 0.901 224 E CB 0.183 30.106 29.700 0.373 0.000 0.967 224 E HN 0.428 nan 8.360 nan 0.000 0.435 225 P HA -0.221 nan 4.420 nan 0.000 0.220 225 P C 1.023 178.408 177.300 0.141 0.000 1.148 225 P CA 1.444 64.598 63.100 0.091 0.000 0.803 225 P CB 0.039 31.766 31.700 0.044 0.000 0.782 226 H N -0.712 118.395 119.070 0.063 0.000 2.326 226 H HA -0.085 4.484 4.556 0.022 0.000 0.301 226 H C 1.431 176.857 175.328 0.164 0.000 1.081 226 H CA 1.445 57.517 56.048 0.040 0.000 1.334 226 H CB -1.366 28.349 29.762 -0.079 0.000 1.385 226 H HN 0.314 nan 8.280 nan 0.000 0.504 227 W N -0.190 120.754 121.300 -0.592 0.000 2.702 227 W HA 0.720 5.392 4.660 0.021 0.000 0.369 227 W C 0.400 176.753 176.519 -0.277 0.000 0.987 227 W CA -1.532 55.582 57.345 -0.386 0.000 1.702 227 W CB -0.860 28.353 29.460 -0.411 0.000 1.138 227 W HN 0.437 nan 8.180 nan 0.000 0.552 228 A N 1.382 124.185 122.820 -0.029 0.000 2.466 228 A HA -0.138 4.195 4.320 0.022 0.000 0.295 228 A C -0.389 176.976 177.584 -0.366 0.000 1.465 228 A CA 1.497 53.442 52.037 -0.153 0.000 0.744 228 A CB -2.369 16.564 19.000 -0.111 0.000 1.098 228 A HN 0.489 nan 8.150 nan 0.000 0.402 229 I N 0.491 120.714 120.570 -0.578 0.000 2.686 229 I HA 0.553 4.737 4.170 0.022 0.000 0.295 229 I C -2.499 173.322 176.117 -0.494 0.000 1.114 229 I CA -2.392 58.471 61.300 -0.728 0.000 1.038 229 I CB 2.979 40.085 38.000 -1.490 0.000 1.238 229 I HN 0.207 nan 8.210 nan 0.000 0.420 230 P HA 0.340 nan 4.420 nan 0.000 0.289 230 P C -1.565 175.577 177.300 -0.263 0.000 1.293 230 P CA -0.890 61.992 63.100 -0.365 0.000 0.897 230 P CB 1.429 32.985 31.700 -0.240 0.000 1.166 231 Q N 0.430 120.121 119.800 -0.180 0.000 2.267 231 Q HA 0.492 4.846 4.340 0.022 0.000 0.255 231 Q C 1.097 177.066 176.000 -0.052 0.000 0.923 231 Q CA 1.074 56.809 55.803 -0.112 0.000 0.925 231 Q CB -0.304 28.379 28.738 -0.093 0.000 1.195 231 Q HN 0.819 nan 8.270 nan 0.000 0.417 232 G N 3.098 111.879 108.800 -0.031 0.000 2.160 232 G HA2 -0.288 3.686 3.960 0.022 0.000 0.251 232 G HA3 -0.288 3.686 3.960 0.022 0.000 0.251 232 G C -0.332 174.589 174.900 0.035 0.000 1.008 232 G CA 0.491 45.597 45.100 0.011 0.000 0.724 232 G HN 0.534 nan 8.290 nan 0.000 0.514 233 Q N -1.025 118.787 119.800 0.020 0.000 2.315 233 Q HA 0.564 4.918 4.340 0.022 0.000 0.273 233 Q C 0.778 176.805 176.000 0.045 0.000 1.053 233 Q CA -0.130 55.709 55.803 0.060 0.000 0.817 233 Q CB 1.818 30.629 28.738 0.122 0.000 1.326 233 Q HN 0.423 nan 8.270 nan 0.000 0.423 234 S N -0.519 115.097 115.700 -0.140 0.000 2.575 234 S HA 0.186 4.669 4.470 0.022 0.000 0.215 234 S C 0.931 175.462 174.600 -0.115 0.000 0.966 234 S CA -0.017 57.854 58.200 -0.548 0.000 0.911 234 S CB 0.333 62.623 63.200 -1.516 0.000 0.780 234 S HN 0.605 nan 8.310 nan 0.000 0.514 235 A N 2.521 125.464 122.820 0.206 0.000 3.030 235 A HA 0.481 4.814 4.320 0.022 0.000 0.273 235 A C 0.124 177.940 177.584 0.387 0.000 1.841 235 A CA -0.489 51.750 52.037 0.336 0.000 1.479 235 A CB -1.336 17.803 19.000 0.233 0.000 1.048 235 A HN 0.888 nan 8.150 nan 0.000 0.612 236 H N -3.177 116.078 119.070 0.308 0.000 3.042 236 H HA 0.468 5.038 4.556 0.022 0.000 0.346 236 H C -0.288 175.237 175.328 0.329 0.000 1.294 236 H CA -0.832 55.364 56.048 0.247 0.000 1.141 236 H CB 0.320 30.192 29.762 0.183 0.000 1.872 236 H HN 0.100 nan 8.280 nan 0.000 0.541 237 D N 0.361 120.950 120.400 0.315 0.000 2.116 237 D HA -0.225 4.428 4.640 0.022 0.000 0.193 237 D C 2.145 178.533 176.300 0.147 0.000 0.998 237 D CA 3.076 57.197 54.000 0.201 0.000 0.836 237 D CB -0.426 40.459 40.800 0.143 0.000 0.951 237 D HN 0.786 nan 8.370 nan 0.000 0.449 238 T N -1.672 112.971 114.554 0.148 0.000 2.788 238 T HA -0.196 4.167 4.350 0.022 0.000 0.268 238 T C 1.905 176.558 174.700 -0.079 0.000 1.044 238 T CA 0.705 62.842 62.100 0.061 0.000 1.139 238 T CB -0.755 68.187 68.868 0.124 0.000 0.867 238 T HN 0.188 nan 8.240 nan 0.000 0.454 239 F N 0.827 120.487 119.950 -0.483 0.000 2.075 239 F HA 0.037 4.578 4.527 0.022 0.000 0.297 239 F C 1.861 177.415 175.800 -0.410 0.000 1.113 239 F CA 1.030 58.669 58.000 -0.601 0.000 1.218 239 F CB -0.539 37.916 39.000 -0.908 0.000 0.984 239 F HN 0.142 nan 8.300 nan 0.000 0.472 240 W N 0.625 121.903 121.300 -0.036 0.000 2.519 240 W HA -0.072 4.602 4.660 0.022 0.000 0.266 240 W C 2.234 178.696 176.519 -0.095 0.000 1.253 240 W CA 1.050 58.359 57.345 -0.060 0.000 1.274 240 W CB -0.617 28.886 29.460 0.071 0.000 1.114 240 W HN 0.103 nan 8.180 nan 0.000 0.596 241 D N -0.709 119.742 120.400 0.084 0.000 2.084 241 D HA -0.285 4.369 4.640 0.022 0.000 0.196 241 D C 1.915 178.220 176.300 0.008 0.000 0.985 241 D CA 1.451 55.481 54.000 0.049 0.000 0.826 241 D CB -0.536 40.301 40.800 0.062 0.000 0.978 241 D HN 0.174 nan 8.370 nan 0.000 0.456 242 Y N 0.528 120.723 120.300 -0.176 0.000 2.145 242 Y HA -0.199 4.365 4.550 0.022 0.000 0.286 242 Y C 2.229 177.990 175.900 -0.232 0.000 1.145 242 Y CA 1.547 59.527 58.100 -0.201 0.000 1.148 242 Y CB -0.480 37.822 38.460 -0.264 0.000 0.981 242 Y HN -0.105 nan 8.280 nan 0.000 0.507 243 V N 0.230 120.020 119.914 -0.207 0.000 2.324 243 V HA -0.354 3.779 4.120 0.022 0.000 0.250 243 V C 2.601 178.631 176.094 -0.107 0.000 1.060 243 V CA 2.319 64.478 62.300 -0.236 0.000 1.042 243 V CB -1.251 30.325 31.823 -0.411 0.000 0.650 243 V HN 0.674 nan 8.190 nan 0.000 0.450 244 S N -0.568 115.114 115.700 -0.030 0.000 2.453 244 S HA -0.006 4.478 4.470 0.022 0.000 0.231 244 S C 1.724 176.292 174.600 -0.054 0.000 1.005 244 S CA 1.123 59.333 58.200 0.016 0.000 0.949 244 S CB -0.373 62.867 63.200 0.066 0.000 0.774 244 S HN 0.547 nan 8.310 nan 0.000 0.510 245 L N 0.042 121.186 121.223 -0.131 0.000 2.585 245 L HA 0.309 4.662 4.340 0.022 0.000 0.226 245 L C 0.514 177.214 176.870 -0.284 0.000 1.113 245 L CA 0.204 54.941 54.840 -0.172 0.000 0.876 245 L CB 0.070 42.026 42.059 -0.171 0.000 1.072 245 L HN 0.263 nan 8.230 nan 0.000 0.468 246 Q N 0.330 119.912 119.800 -0.364 0.000 3.090 246 Q HA 0.223 4.576 4.340 0.022 0.000 0.241 246 Q C -1.916 173.859 176.000 -0.376 0.000 0.958 246 Q CA -1.427 54.110 55.803 -0.443 0.000 0.715 246 Q CB 1.490 29.812 28.738 -0.694 0.000 1.298 246 Q HN 0.010 nan 8.270 nan 0.000 0.468 247 P HA -0.221 nan 4.420 nan 0.000 0.223 247 P C 0.890 177.897 177.300 -0.488 0.000 1.144 247 P CA 1.105 63.971 63.100 -0.390 0.000 0.783 247 P CB 0.285 31.771 31.700 -0.357 0.000 0.771 248 E N 0.726 120.512 120.200 -0.689 0.000 2.219 248 E HA -0.193 4.170 4.350 0.022 0.000 0.198 248 E C 1.584 178.125 176.600 -0.098 0.000 0.998 248 E CA 1.921 58.139 56.400 -0.303 0.000 0.818 248 E CB -1.431 28.156 29.700 -0.190 0.000 0.741 248 E HN 0.301 nan 8.360 nan 0.000 0.477 249 T N -0.455 114.047 114.554 -0.087 0.000 3.035 249 T HA 0.002 4.365 4.350 0.022 0.000 0.268 249 T C 1.969 176.721 174.700 0.085 0.000 1.109 249 T CA 0.504 62.616 62.100 0.020 0.000 1.119 249 T CB -0.367 68.530 68.868 0.049 0.000 0.900 249 T HN 0.143 nan 8.240 nan 0.000 0.503 250 L N 0.132 121.412 121.223 0.096 0.000 2.079 250 L HA -0.136 4.217 4.340 0.022 0.000 0.210 250 L C 2.883 179.910 176.870 0.261 0.000 1.081 250 L CA 1.988 56.955 54.840 0.212 0.000 0.752 250 L CB -0.825 41.376 42.059 0.237 0.000 0.896 250 L HN 0.480 nan 8.230 nan 0.000 0.433 251 H N -0.004 119.108 119.070 0.069 0.000 2.293 251 H HA -0.203 4.366 4.556 0.022 0.000 0.300 251 H C 2.158 177.480 175.328 -0.010 0.000 1.082 251 H CA 1.771 57.859 56.048 0.066 0.000 1.308 251 H CB 0.212 29.982 29.762 0.014 0.000 1.375 251 H HN 0.371 nan 8.280 nan 0.000 0.495 252 N N -0.053 118.472 118.700 -0.291 0.000 2.309 252 N HA -0.120 4.633 4.740 0.022 0.000 0.182 252 N C 1.912 177.228 175.510 -0.324 0.000 1.018 252 N CA 0.641 53.303 53.050 -0.647 0.000 0.876 252 N CB 0.303 37.983 38.487 -1.345 0.000 0.972 252 N HN 0.125 nan 8.380 nan 0.000 0.434 253 V N 1.705 121.637 119.914 0.031 0.000 2.343 253 V HA -0.244 3.889 4.120 0.022 0.000 0.247 253 V C 2.491 178.673 176.094 0.147 0.000 1.051 253 V CA 1.244 63.689 62.300 0.241 0.000 1.036 253 V CB -0.342 31.678 31.823 0.327 0.000 0.654 253 V HN 0.386 nan 8.190 nan 0.000 0.451 254 M N -1.660 118.065 119.600 0.208 0.000 2.108 254 M HA -0.222 4.271 4.480 0.022 0.000 0.261 254 M C 2.106 178.336 176.300 -0.117 0.000 1.066 254 M CA 1.943 57.362 55.300 0.199 0.000 1.107 254 M CB -1.192 31.571 32.600 0.273 0.000 1.356 254 M HN 0.458 nan 8.290 nan 0.000 0.406 255 W N 0.657 121.634 121.300 -0.538 0.000 2.358 255 W HA -0.096 4.577 4.660 0.022 0.000 0.303 255 W C 2.860 179.276 176.519 -0.173 0.000 1.208 255 W CA 1.940 58.956 57.345 -0.549 0.000 1.274 255 W CB -0.916 28.166 29.460 -0.630 0.000 1.138 255 W HN 0.287 nan 8.180 nan 0.000 0.515 256 A N -0.723 122.142 122.820 0.075 0.000 1.933 256 A HA -0.190 4.144 4.320 0.022 0.000 0.218 256 A C 1.941 179.552 177.584 0.046 0.000 1.175 256 A CA 1.702 53.794 52.037 0.091 0.000 0.628 256 A CB -0.618 18.467 19.000 0.141 0.000 0.814 256 A HN 0.102 nan 8.150 nan 0.000 0.444 257 M N 0.681 120.263 119.600 -0.029 0.000 2.394 257 M HA 0.004 4.497 4.480 0.022 0.000 0.264 257 M C 1.533 177.860 176.300 0.046 0.000 1.073 257 M CA 0.876 56.106 55.300 -0.117 0.000 1.111 257 M CB -1.394 30.875 32.600 -0.551 0.000 1.401 257 M HN 0.561 nan 8.290 nan 0.000 0.448 258 S N 0.240 116.022 115.700 0.136 0.000 2.641 258 S HA 0.065 4.548 4.470 0.022 0.000 0.261 258 S C 0.771 175.492 174.600 0.201 0.000 1.257 258 S CA -0.371 57.956 58.200 0.212 0.000 0.983 258 S CB 0.925 64.292 63.200 0.279 0.000 0.990 258 S HN 0.186 nan 8.310 nan 0.000 0.572 259 D N 0.182 120.725 120.400 0.239 0.000 2.378 259 D HA 0.034 4.688 4.640 0.022 0.000 0.222 259 D C 1.919 178.366 176.300 0.244 0.000 0.980 259 D CA 0.337 54.502 54.000 0.275 0.000 0.907 259 D CB -0.144 40.891 40.800 0.391 0.000 0.899 259 D HN 0.381 nan 8.370 nan 0.000 0.527 260 R N 0.183 120.816 120.500 0.221 0.000 2.127 260 R HA -0.063 4.290 4.340 0.022 0.000 0.238 260 R C 2.082 178.532 176.300 0.250 0.000 1.134 260 R CA 1.083 57.336 56.100 0.255 0.000 0.975 260 R CB -0.847 29.660 30.300 0.344 0.000 0.865 260 R HN 0.179 nan 8.270 nan 0.000 0.447 261 G N 1.360 110.290 108.800 0.218 0.000 2.679 261 G HA2 -0.034 3.939 3.960 0.022 0.000 0.212 261 G HA3 -0.034 3.939 3.960 0.022 0.000 0.212 261 G C 1.017 176.053 174.900 0.228 0.000 1.137 261 G CA 0.134 45.356 45.100 0.202 0.000 0.787 261 G HN 0.427 nan 8.290 nan 0.000 0.534 262 I N -2.196 118.522 120.570 0.246 0.000 2.926 262 I HA 0.361 4.544 4.170 0.022 0.000 0.295 262 I C -2.834 173.446 176.117 0.271 0.000 1.463 262 I CA -2.610 58.846 61.300 0.259 0.000 0.892 262 I CB 1.685 39.839 38.000 0.256 0.000 1.874 262 I HN -0.267 nan 8.210 nan 0.000 0.620 263 P HA 0.052 nan 4.420 nan 0.000 0.270 263 P C 0.509 177.979 177.300 0.283 0.000 1.223 263 P CA -0.113 63.124 63.100 0.228 0.000 0.785 263 P CB 1.083 32.861 31.700 0.129 0.000 0.923 264 R N 1.060 121.707 120.500 0.244 0.000 2.119 264 R HA 0.082 4.435 4.340 0.022 0.000 0.222 264 R C 0.394 176.870 176.300 0.294 0.000 1.088 264 R CA 1.221 57.516 56.100 0.324 0.000 0.984 264 R CB -0.267 30.207 30.300 0.290 0.000 0.884 264 R HN 0.530 nan 8.270 nan 0.000 0.447 265 S N -2.504 113.161 115.700 -0.058 0.000 2.552 265 S HA 0.206 4.689 4.470 0.022 0.000 0.272 265 S C -0.435 173.863 174.600 -0.503 0.000 1.150 265 S CA -0.868 57.104 58.200 -0.379 0.000 0.849 265 S CB 0.148 63.262 63.200 -0.143 0.000 1.113 265 S HN 0.108 nan 8.310 nan 0.000 0.458 266 Y N 2.186 122.116 120.300 -0.618 0.000 2.483 266 Y HA 0.055 4.618 4.550 0.022 0.000 0.291 266 Y C 2.335 177.871 175.900 -0.607 0.000 1.143 266 Y CA 1.012 58.627 58.100 -0.808 0.000 1.289 266 Y CB -0.343 37.257 38.460 -1.434 0.000 0.983 266 Y HN 0.544 nan 8.280 nan 0.000 0.556 267 R N -0.581 119.782 120.500 -0.229 0.000 2.193 267 R HA -0.017 4.336 4.340 0.022 0.000 0.213 267 R C 1.010 177.280 176.300 -0.049 0.000 1.055 267 R CA 1.480 57.505 56.100 -0.125 0.000 0.995 267 R CB -0.309 29.908 30.300 -0.138 0.000 0.893 267 R HN 0.319 nan 8.270 nan 0.000 0.459 268 T N -1.430 113.111 114.554 -0.022 0.000 3.313 268 T HA 0.393 4.756 4.350 0.022 0.000 0.263 268 T C 0.101 174.851 174.700 0.083 0.000 0.983 268 T CA -0.683 61.435 62.100 0.029 0.000 0.963 268 T CB -0.127 68.747 68.868 0.011 0.000 1.141 268 T HN 0.080 nan 8.240 nan 0.000 0.526 269 M N -1.253 118.438 119.600 0.151 0.000 2.593 269 M HA 0.742 5.235 4.480 0.022 0.000 0.290 269 M C -1.389 175.093 176.300 0.303 0.000 1.244 269 M CA -0.874 54.552 55.300 0.211 0.000 0.857 269 M CB 2.209 34.929 32.600 0.201 0.000 1.738 269 M HN -0.124 nan 8.290 nan 0.000 0.461 270 E N 0.340 120.721 120.200 0.302 0.000 2.280 270 E HA 0.747 5.110 4.350 0.022 0.000 0.264 270 E C -0.379 176.313 176.600 0.153 0.000 1.064 270 E CA -0.752 55.766 56.400 0.196 0.000 0.900 270 E CB 1.925 31.660 29.700 0.059 0.000 1.123 270 E HN 0.864 nan 8.360 nan 0.000 0.418 271 G N 0.586 109.286 108.800 -0.167 0.000 2.563 271 G HA2 0.653 4.626 3.960 0.022 0.000 0.302 271 G HA3 0.653 4.626 3.960 0.022 0.000 0.302 271 G C -1.552 172.910 174.900 -0.730 0.000 1.301 271 G CA -0.496 44.487 45.100 -0.194 0.000 0.965 271 G HN 0.296 nan 8.290 nan 0.000 0.480 272 F N -0.548 119.321 119.950 -0.136 0.000 2.608 272 F HA 0.498 5.038 4.527 0.022 0.000 0.309 272 F C 1.076 176.777 175.800 -0.165 0.000 1.103 272 F CA -0.450 57.406 58.000 -0.241 0.000 0.954 272 F CB 2.424 41.235 39.000 -0.314 0.000 1.267 272 F HN 0.632 nan 8.300 nan 0.000 0.444 273 G N 0.838 109.700 108.800 0.103 0.000 2.511 273 G HA2 0.106 4.079 3.960 0.022 0.000 0.217 273 G HA3 0.106 4.079 3.960 0.022 0.000 0.217 273 G C 1.194 176.164 174.900 0.117 0.000 1.133 273 G CA 1.000 46.220 45.100 0.200 0.000 0.792 273 G HN 0.799 nan 8.290 nan 0.000 0.539 274 I N -1.239 119.329 120.570 -0.003 0.000 4.724 274 I HA -0.320 3.864 4.170 0.022 0.000 0.043 274 I C 0.591 176.593 176.117 -0.192 0.000 0.628 274 I CA 1.516 62.687 61.300 -0.215 0.000 0.705 274 I CB -1.202 36.559 38.000 -0.398 0.000 0.661 274 I HN 0.255 nan 8.210 nan 0.000 0.155 275 H N 2.199 121.290 119.070 0.035 0.000 2.757 275 H HA 0.215 4.784 4.556 0.022 0.000 0.370 275 H C 0.060 175.326 175.328 -0.104 0.000 1.172 275 H CA 0.646 56.617 56.048 -0.129 0.000 1.426 275 H CB 0.278 29.800 29.762 -0.399 0.000 1.438 275 H HN 0.215 nan 8.280 nan 0.000 0.612 276 T N 3.492 118.013 114.554 -0.055 0.000 2.794 276 T HA 0.264 4.627 4.350 0.022 0.000 0.296 276 T C 0.073 174.701 174.700 -0.120 0.000 0.949 276 T CA -0.056 62.007 62.100 -0.061 0.000 1.101 276 T CB -0.120 68.666 68.868 -0.137 0.000 0.905 276 T HN 0.218 nan 8.240 nan 0.000 0.516 277 F N 1.322 121.257 119.950 -0.024 0.000 2.671 277 F HA 0.661 5.201 4.527 0.022 0.000 0.373 277 F C 0.914 176.682 175.800 -0.053 0.000 1.122 277 F CA -1.321 56.689 58.000 0.017 0.000 1.082 277 F CB 1.381 40.394 39.000 0.022 0.000 1.399 277 F HN 0.202 nan 8.300 nan 0.000 0.509 278 R N 0.577 121.152 120.500 0.125 0.000 2.670 278 R HA 0.670 5.023 4.340 0.022 0.000 0.289 278 R C -1.641 174.544 176.300 -0.191 0.000 0.965 278 R CA -0.887 55.140 56.100 -0.122 0.000 0.899 278 R CB 1.941 32.096 30.300 -0.242 0.000 1.173 278 R HN 0.432 nan 8.270 nan 0.000 0.456 279 L N 3.629 124.687 121.223 -0.275 0.000 2.309 279 L HA 0.514 4.867 4.340 0.022 0.000 0.282 279 L C -0.407 176.300 176.870 -0.271 0.000 1.036 279 L CA -0.853 53.832 54.840 -0.258 0.000 0.806 279 L CB 1.155 43.065 42.059 -0.249 0.000 1.220 279 L HN 0.349 nan 8.230 nan 0.000 0.429 280 I N 3.002 123.434 120.570 -0.229 0.000 2.418 280 I HA 0.279 4.462 4.170 0.022 0.000 0.287 280 I C -0.203 175.818 176.117 -0.159 0.000 1.008 280 I CA -0.649 60.516 61.300 -0.226 0.000 1.104 280 I CB 1.343 39.212 38.000 -0.219 0.000 1.264 280 I HN 0.651 nan 8.210 nan 0.000 0.438 281 N N 5.030 123.649 118.700 -0.135 0.000 2.476 281 N HA 0.378 5.131 4.740 0.022 0.000 0.287 281 N C 0.798 176.262 175.510 -0.076 0.000 1.262 281 N CA -0.389 52.604 53.050 -0.095 0.000 0.980 281 N CB 0.592 39.032 38.487 -0.079 0.000 1.163 281 N HN 0.503 nan 8.380 nan 0.000 0.592 282 A N -0.760 122.025 122.820 -0.057 0.000 2.067 282 A HA -0.069 4.264 4.320 0.022 0.000 0.219 282 A C 1.267 178.827 177.584 -0.039 0.000 1.158 282 A CA 1.080 53.089 52.037 -0.046 0.000 0.661 282 A CB -0.703 18.276 19.000 -0.034 0.000 0.801 282 A HN 0.772 nan 8.150 nan 0.000 0.452 283 E N -1.192 118.986 120.200 -0.037 0.000 2.489 283 E HA 0.317 4.681 4.350 0.022 0.000 0.193 283 E C 1.176 177.762 176.600 -0.023 0.000 1.057 283 E CA 0.618 57.002 56.400 -0.027 0.000 0.866 283 E CB -0.102 29.583 29.700 -0.025 0.000 0.916 283 E HN 0.674 nan 8.360 nan 0.000 0.500 284 G N 1.251 110.033 108.800 -0.031 0.000 2.143 284 G HA2 -0.370 3.603 3.960 0.022 0.000 0.249 284 G HA3 -0.370 3.603 3.960 0.022 0.000 0.249 284 G C 0.207 175.110 174.900 0.005 0.000 0.981 284 G CA 0.190 45.287 45.100 -0.004 0.000 0.665 284 G HN 0.241 nan 8.290 nan 0.000 0.528 285 K N 0.813 121.181 120.400 -0.055 0.000 2.322 285 K HA 0.606 4.939 4.320 0.022 0.000 0.283 285 K C 0.645 177.090 176.600 -0.257 0.000 1.042 285 K CA 0.287 56.513 56.287 -0.102 0.000 0.958 285 K CB 0.502 32.947 32.500 -0.092 0.000 0.984 285 K HN 0.511 nan 8.250 nan 0.000 0.473 286 A N 3.275 125.825 122.820 -0.449 0.000 2.290 286 A HA 0.385 4.718 4.320 0.022 0.000 0.310 286 A C -0.674 176.584 177.584 -0.543 0.000 1.202 286 A CA -0.460 51.152 52.037 -0.707 0.000 0.837 286 A CB 0.963 19.076 19.000 -1.478 0.000 1.139 286 A HN 0.685 nan 8.150 nan 0.000 0.509 287 T N 2.545 116.823 114.554 -0.460 0.000 2.824 287 T HA 0.527 4.890 4.350 0.022 0.000 0.282 287 T C -0.570 173.915 174.700 -0.359 0.000 0.993 287 T CA -0.093 61.795 62.100 -0.352 0.000 0.967 287 T CB 0.421 69.168 68.868 -0.202 0.000 0.960 287 T HN 0.337 nan 8.240 nan 0.000 0.441 288 F N 2.110 121.965 119.950 -0.159 0.000 2.471 288 F HA 0.503 5.043 4.527 0.022 0.000 0.353 288 F C 0.562 176.241 175.800 -0.202 0.000 1.113 288 F CA -0.388 57.514 58.000 -0.164 0.000 1.262 288 F CB 0.687 39.610 39.000 -0.129 0.000 1.146 288 F HN 0.204 nan 8.300 nan 0.000 0.578 289 V N 4.880 124.747 119.914 -0.079 0.000 2.760 289 V HA 0.583 4.716 4.120 0.022 0.000 0.309 289 V C -0.998 174.874 176.094 -0.369 0.000 1.077 289 V CA -0.762 61.339 62.300 -0.331 0.000 0.910 289 V CB 2.034 33.425 31.823 -0.721 0.000 1.008 289 V HN 0.749 nan 8.190 nan 0.000 0.424 290 R N 5.134 125.471 120.500 -0.273 0.000 2.437 290 R HA 0.532 4.885 4.340 0.022 0.000 0.310 290 R C -1.560 174.683 176.300 -0.094 0.000 0.955 290 R CA -0.413 55.588 56.100 -0.164 0.000 0.851 290 R CB 1.936 32.248 30.300 0.020 0.000 1.161 290 R HN 0.598 nan 8.270 nan 0.000 0.446 291 F N 2.296 122.295 119.950 0.083 0.000 2.384 291 F HA 0.368 4.908 4.527 0.022 0.000 0.338 291 F C 1.058 176.800 175.800 -0.096 0.000 1.103 291 F CA -0.044 57.967 58.000 0.020 0.000 1.157 291 F CB 0.833 39.740 39.000 -0.155 0.000 1.167 291 F HN 0.216 nan 8.300 nan 0.000 0.529 292 H N 0.679 119.730 119.070 -0.032 0.000 2.851 292 H HA 0.262 4.831 4.556 0.022 0.000 0.372 292 H C -1.685 173.403 175.328 -0.400 0.000 1.158 292 H CA -1.085 54.834 56.048 -0.215 0.000 1.159 292 H CB 2.081 31.810 29.762 -0.055 0.000 1.757 292 H HN 0.673 nan 8.280 nan 0.000 0.546 293 W N 2.171 123.375 121.300 -0.160 0.000 2.619 293 W HA 0.320 4.993 4.660 0.022 0.000 0.327 293 W C -0.164 176.386 176.519 0.052 0.000 1.027 293 W CA -0.719 56.587 57.345 -0.065 0.000 1.233 293 W CB 1.797 31.113 29.460 -0.239 0.000 1.370 293 W HN 0.170 nan 8.180 nan 0.000 0.453 294 K N 5.534 126.211 120.400 0.461 0.000 2.240 294 K HA 0.352 4.685 4.320 0.022 0.000 0.271 294 K C -2.426 174.425 176.600 0.418 0.000 1.018 294 K CA -1.821 54.679 56.287 0.356 0.000 0.874 294 K CB 1.533 34.190 32.500 0.261 0.000 1.098 294 K HN 0.067 nan 8.250 nan 0.000 0.458 295 P HA 0.074 nan 4.420 nan 0.000 0.281 295 P C 0.571 177.902 177.300 0.051 0.000 1.286 295 P CA -0.114 63.103 63.100 0.194 0.000 0.772 295 P CB 0.657 32.487 31.700 0.218 0.000 0.862 296 L N 2.818 124.012 121.223 -0.049 0.000 2.362 296 L HA -0.084 4.269 4.340 0.022 0.000 0.219 296 L C 2.208 179.061 176.870 -0.028 0.000 1.134 296 L CA 1.164 55.998 54.840 -0.011 0.000 0.807 296 L CB -0.650 41.407 42.059 -0.002 0.000 0.927 296 L HN 0.337 nan 8.230 nan 0.000 0.447 297 A N 0.071 122.848 122.820 -0.073 0.000 2.235 297 A HA 0.386 4.719 4.320 0.022 0.000 0.208 297 A C 1.269 178.856 177.584 0.005 0.000 1.172 297 A CA 0.716 52.729 52.037 -0.041 0.000 0.786 297 A CB -0.427 18.533 19.000 -0.067 0.000 0.804 297 A HN 0.470 nan 8.150 nan 0.000 0.479 298 G N -0.740 108.078 108.800 0.029 0.000 2.712 298 G HA2 -0.125 3.848 3.960 0.022 0.000 0.683 298 G HA3 -0.125 3.848 3.960 0.022 0.000 0.683 298 G C -0.649 174.284 174.900 0.056 0.000 1.320 298 G CA -0.443 44.690 45.100 0.057 0.000 0.847 298 G HN 0.447 nan 8.290 nan 0.000 0.553 299 K N 0.173 120.606 120.400 0.055 0.000 2.201 299 K HA 0.710 5.044 4.320 0.022 0.000 0.278 299 K C 0.198 176.781 176.600 -0.028 0.000 1.027 299 K CA 0.230 56.530 56.287 0.022 0.000 0.909 299 K CB 1.720 34.215 32.500 -0.008 0.000 1.062 299 K HN 1.482 nan 8.250 nan 0.000 0.465 300 A N 1.810 124.609 122.820 -0.036 0.000 2.540 300 A HA 0.545 4.879 4.320 0.022 0.000 0.297 300 A C -1.143 176.500 177.584 0.099 0.000 1.056 300 A CA -0.680 51.286 52.037 -0.118 0.000 0.700 300 A CB 1.641 20.389 19.000 -0.420 0.000 1.280 300 A HN 0.511 nan 8.150 nan 0.000 0.398 301 S N 0.745 116.669 115.700 0.374 0.000 2.634 301 S HA 0.773 5.256 4.470 0.022 0.000 0.296 301 S C 0.014 174.955 174.600 0.568 0.000 1.104 301 S CA -0.615 57.851 58.200 0.443 0.000 0.920 301 S CB 1.205 64.641 63.200 0.394 0.000 1.111 301 S HN 0.644 nan 8.310 nan 0.000 0.493 302 L N 1.248 122.684 121.223 0.355 0.000 2.543 302 L HA 0.585 4.938 4.340 0.022 0.000 0.231 302 L C 0.049 177.036 176.870 0.195 0.000 1.194 302 L CA -0.802 54.166 54.840 0.214 0.000 0.823 302 L CB 0.166 42.261 42.059 0.061 0.000 1.374 302 L HN 0.495 nan 8.230 nan 0.000 0.507 303 V N -3.230 116.694 119.914 0.018 0.000 2.769 303 V HA 0.188 4.321 4.120 0.022 0.000 0.312 303 V C 0.662 176.702 176.094 -0.090 0.000 1.058 303 V CA -0.799 61.483 62.300 -0.030 0.000 0.952 303 V CB 1.653 33.443 31.823 -0.055 0.000 1.019 303 V HN 0.930 nan 8.190 nan 0.000 0.445 304 W N 2.077 123.236 121.300 -0.235 0.000 2.317 304 W HA -0.255 4.418 4.660 0.022 0.000 0.318 304 W C 1.783 178.135 176.519 -0.278 0.000 1.227 304 W CA 2.657 59.856 57.345 -0.243 0.000 1.269 304 W CB -0.100 29.198 29.460 -0.270 0.000 1.155 304 W HN 1.022 nan 8.180 nan 0.000 0.484 305 D N 0.127 120.267 120.400 -0.433 0.000 2.123 305 D HA -0.304 4.349 4.640 0.022 0.000 0.196 305 D C 2.172 178.107 176.300 -0.608 0.000 0.992 305 D CA 2.257 55.952 54.000 -0.509 0.000 0.833 305 D CB -0.495 40.243 40.800 -0.104 0.000 0.954 305 D HN 0.432 nan 8.370 nan 0.000 0.455 306 E N -0.184 119.513 120.200 -0.838 0.000 2.051 306 E HA -0.212 4.152 4.350 0.022 0.000 0.192 306 E C 2.060 178.326 176.600 -0.557 0.000 0.991 306 E CA 1.137 57.015 56.400 -0.870 0.000 0.799 306 E CB -0.282 28.769 29.700 -1.082 0.000 0.748 306 E HN 0.281 nan 8.360 nan 0.000 0.449 307 A N 1.292 123.808 122.820 -0.507 0.000 1.865 307 A HA -0.294 4.039 4.320 0.022 0.000 0.217 307 A C 2.253 179.505 177.584 -0.553 0.000 1.191 307 A CA 1.982 53.765 52.037 -0.423 0.000 0.623 307 A CB -0.885 17.978 19.000 -0.229 0.000 0.826 307 A HN 0.495 nan 8.150 nan 0.000 0.444 308 Q N -0.673 118.572 119.800 -0.926 0.000 2.050 308 Q HA -0.233 4.120 4.340 0.022 0.000 0.202 308 Q C 2.191 177.897 176.000 -0.490 0.000 0.980 308 Q CA 2.085 57.345 55.803 -0.906 0.000 0.840 308 Q CB -0.151 27.744 28.738 -1.405 0.000 0.898 308 Q HN 0.657 nan 8.270 nan 0.000 0.424 309 K N -0.083 120.053 120.400 -0.440 0.000 2.097 309 K HA -0.163 4.170 4.320 0.022 0.000 0.206 309 K C 2.011 178.468 176.600 -0.237 0.000 1.049 309 K CA 0.868 56.997 56.287 -0.263 0.000 0.933 309 K CB -0.131 32.252 32.500 -0.195 0.000 0.717 309 K HN 0.143 nan 8.250 nan 0.000 0.442 310 L N 1.052 122.096 121.223 -0.298 0.000 2.191 310 L HA -0.144 4.209 4.340 0.022 0.000 0.212 310 L C 2.113 178.848 176.870 -0.224 0.000 1.103 310 L CA 2.166 56.829 54.840 -0.295 0.000 0.769 310 L CB -0.900 40.903 42.059 -0.428 0.000 0.908 310 L HN 0.386 nan 8.230 nan 0.000 0.438 311 T N -4.348 110.078 114.554 -0.214 0.000 2.833 311 T HA -0.066 4.297 4.350 0.022 0.000 0.269 311 T C 1.844 176.480 174.700 -0.107 0.000 1.054 311 T CA 1.015 63.029 62.100 -0.143 0.000 1.135 311 T CB -0.971 67.826 68.868 -0.119 0.000 0.869 311 T HN 0.378 nan 8.240 nan 0.000 0.466 312 G N 1.191 109.921 108.800 -0.117 0.000 2.437 312 G HA2 0.003 3.976 3.960 0.022 0.000 0.212 312 G HA3 0.003 3.976 3.960 0.022 0.000 0.212 312 G C 1.874 176.728 174.900 -0.076 0.000 1.174 312 G CA -0.268 44.780 45.100 -0.086 0.000 0.811 312 G HN 0.302 nan 8.290 nan 0.000 0.537 313 R N 0.402 120.848 120.500 -0.091 0.000 2.148 313 R HA 0.015 4.369 4.340 0.022 0.000 0.227 313 R C -0.133 176.138 176.300 -0.048 0.000 1.103 313 R CA 0.887 56.947 56.100 -0.068 0.000 0.983 313 R CB -0.219 30.035 30.300 -0.078 0.000 0.874 313 R HN 0.362 nan 8.270 nan 0.000 0.451 314 D N -0.747 119.620 120.400 -0.055 0.000 2.584 314 D HA 0.119 4.772 4.640 0.022 0.000 0.238 314 D C -2.145 174.155 176.300 -0.001 0.000 1.302 314 D CA -1.589 52.409 54.000 -0.003 0.000 0.884 314 D CB 1.228 42.067 40.800 0.066 0.000 1.456 314 D HN -0.136 nan 8.370 nan 0.000 0.528 315 P HA 0.018 nan 4.420 nan 0.000 0.234 315 P C -0.046 177.260 177.300 0.011 0.000 1.167 315 P CA 0.595 63.684 63.100 -0.018 0.000 0.763 315 P CB 0.492 32.178 31.700 -0.022 0.000 0.835 316 D N -1.293 119.125 120.400 0.030 0.000 2.525 316 D HA 0.076 4.729 4.640 0.022 0.000 0.229 316 D C 1.029 177.370 176.300 0.068 0.000 1.202 316 D CA -0.479 53.544 54.000 0.038 0.000 0.828 316 D CB -0.456 40.342 40.800 -0.003 0.000 1.008 316 D HN 0.079 nan 8.370 nan 0.000 0.493 317 F N 1.153 121.052 119.950 -0.085 0.000 2.134 317 F HA -0.165 4.375 4.527 0.022 0.000 0.299 317 F C 1.997 177.784 175.800 -0.020 0.000 1.097 317 F CA 1.788 59.736 58.000 -0.088 0.000 1.264 317 F CB 0.037 38.938 39.000 -0.164 0.000 1.001 317 F HN 0.117 nan 8.300 nan 0.000 0.479 318 H N -1.199 117.791 119.070 -0.133 0.000 2.403 318 H HA -0.048 4.522 4.556 0.022 0.000 0.298 318 H C 2.392 177.596 175.328 -0.206 0.000 1.059 318 H CA 0.814 56.636 56.048 -0.376 0.000 1.363 318 H CB -0.059 29.325 29.762 -0.631 0.000 1.410 318 H HN 0.158 nan 8.280 nan 0.000 0.528 319 R N 1.332 121.906 120.500 0.124 0.000 2.081 319 R HA -0.123 4.230 4.340 0.022 0.000 0.235 319 R C 2.427 178.815 176.300 0.147 0.000 1.131 319 R CA 1.282 57.510 56.100 0.214 0.000 0.960 319 R CB -0.023 30.401 30.300 0.206 0.000 0.856 319 R HN 0.191 nan 8.270 nan 0.000 0.436 320 R N 0.359 120.872 120.500 0.021 0.000 2.066 320 R HA -0.131 4.222 4.340 0.022 0.000 0.232 320 R C 2.152 178.445 176.300 -0.011 0.000 1.131 320 R CA 1.605 57.703 56.100 -0.004 0.000 0.955 320 R CB -0.253 30.013 30.300 -0.056 0.000 0.851 320 R HN 0.262 nan 8.270 nan 0.000 0.432 321 E N 0.751 120.836 120.200 -0.192 0.000 2.110 321 E HA -0.204 4.159 4.350 0.022 0.000 0.193 321 E C 1.997 178.556 176.600 -0.069 0.000 0.988 321 E CA 1.078 57.333 56.400 -0.242 0.000 0.804 321 E CB -0.063 29.306 29.700 -0.552 0.000 0.745 321 E HN 0.268 nan 8.360 nan 0.000 0.458 322 L N 0.768 121.990 121.223 -0.000 0.000 2.027 322 L HA -0.137 4.216 4.340 0.022 0.000 0.206 322 L C 2.227 179.192 176.870 0.158 0.000 1.074 322 L CA 1.811 56.700 54.840 0.081 0.000 0.745 322 L CB -0.939 41.228 42.059 0.179 0.000 0.898 322 L HN 0.304 nan 8.230 nan 0.000 0.433 323 W N 0.948 122.275 121.300 0.045 0.000 2.355 323 W HA -0.194 4.479 4.660 0.022 0.000 0.309 323 W C 2.138 178.684 176.519 0.044 0.000 1.206 323 W CA 2.089 59.476 57.345 0.071 0.000 1.284 323 W CB -0.097 29.407 29.460 0.073 0.000 1.145 323 W HN 0.351 nan 8.180 nan 0.000 0.502 324 E N 0.006 120.377 120.200 0.285 0.000 2.208 324 E HA -0.107 4.256 4.350 0.022 0.000 0.193 324 E C 2.335 178.961 176.600 0.043 0.000 0.988 324 E CA 0.951 57.442 56.400 0.152 0.000 0.828 324 E CB -0.286 29.458 29.700 0.073 0.000 0.763 324 E HN 0.185 nan 8.360 nan 0.000 0.478 325 A N 1.276 124.119 122.820 0.037 0.000 1.898 325 A HA -0.141 4.192 4.320 0.022 0.000 0.216 325 A C 2.154 179.751 177.584 0.022 0.000 1.181 325 A CA 0.917 52.967 52.037 0.022 0.000 0.620 325 A CB -0.472 18.540 19.000 0.019 0.000 0.819 325 A HN 0.119 nan 8.150 nan 0.000 0.442 326 I N -0.249 120.354 120.570 0.055 0.000 2.286 326 I HA -0.238 3.945 4.170 0.022 0.000 0.248 326 I C 2.344 178.509 176.117 0.081 0.000 1.115 326 I CA 1.414 62.790 61.300 0.127 0.000 1.392 326 I CB -0.360 37.661 38.000 0.036 0.000 1.065 326 I HN 0.420 nan 8.210 nan 0.000 0.418 327 E N 0.761 120.968 120.200 0.012 0.000 2.268 327 E HA -0.126 4.238 4.350 0.022 0.000 0.195 327 E C 2.085 178.691 176.600 0.011 0.000 0.995 327 E CA 1.034 57.454 56.400 0.034 0.000 0.836 327 E CB -0.048 29.703 29.700 0.085 0.000 0.763 327 E HN 0.500 nan 8.360 nan 0.000 0.491 328 A N 0.202 123.004 122.820 -0.030 0.000 2.218 328 A HA 0.267 4.600 4.320 0.022 0.000 0.209 328 A C 1.757 179.266 177.584 -0.125 0.000 1.168 328 A CA 0.834 52.836 52.037 -0.058 0.000 0.804 328 A CB -0.003 18.958 19.000 -0.066 0.000 0.834 328 A HN 0.314 nan 8.150 nan 0.000 0.482 329 G N -0.407 108.218 108.800 -0.292 0.000 2.157 329 G HA2 -0.189 3.784 3.960 0.022 0.000 0.239 329 G HA3 -0.189 3.784 3.960 0.022 0.000 0.239 329 G C -0.206 174.210 174.900 -0.807 0.000 0.982 329 G CA 0.218 44.849 45.100 -0.782 0.000 0.650 329 G HN 0.436 nan 8.290 nan 0.000 0.527 330 D N 1.300 121.478 120.400 -0.371 0.000 2.994 330 D HA 0.300 4.953 4.640 0.022 0.000 0.240 330 D C 0.548 176.780 176.300 -0.114 0.000 1.195 330 D CA -0.259 53.622 54.000 -0.199 0.000 0.957 330 D CB -0.514 40.267 40.800 -0.031 0.000 1.105 330 D HN 0.211 nan 8.370 nan 0.000 0.477 331 F N 1.526 121.475 119.950 -0.003 0.000 2.593 331 F HA 0.100 4.640 4.527 0.022 0.000 0.393 331 F C -1.504 174.258 175.800 -0.063 0.000 1.037 331 F CA -2.271 55.718 58.000 -0.019 0.000 1.195 331 F CB -0.651 38.350 39.000 0.003 0.000 1.034 331 F HN -0.028 nan 8.300 nan 0.000 0.552 332 P HA 0.061 nan 4.420 nan 0.000 0.263 332 P C -0.786 176.426 177.300 -0.147 0.000 1.195 332 P CA 0.209 63.258 63.100 -0.083 0.000 0.762 332 P CB 0.426 32.147 31.700 0.034 0.000 0.799 333 E N 2.371 122.344 120.200 -0.379 0.000 2.248 333 E HA 0.443 4.807 4.350 0.022 0.000 0.267 333 E C -1.114 175.186 176.600 -0.501 0.000 0.877 333 E CA -0.562 55.682 56.400 -0.261 0.000 0.759 333 E CB 1.454 31.105 29.700 -0.081 0.000 1.182 333 E HN 0.379 nan 8.360 nan 0.000 0.418 334 Y N 0.442 120.807 120.300 0.108 0.000 2.457 334 Y HA 0.232 4.796 4.550 0.022 0.000 0.343 334 Y C -0.225 175.902 175.900 0.379 0.000 0.994 334 Y CA -0.950 57.285 58.100 0.226 0.000 1.031 334 Y CB 1.992 40.533 38.460 0.136 0.000 1.246 334 Y HN 0.462 nan 8.280 nan 0.000 0.449 335 E N 3.134 123.664 120.200 0.551 0.000 2.134 335 E HA 0.385 4.748 4.350 0.022 0.000 0.278 335 E C -1.428 175.465 176.600 0.490 0.000 0.959 335 E CA -0.982 55.703 56.400 0.475 0.000 0.783 335 E CB 1.007 30.923 29.700 0.359 0.000 1.095 335 E HN 0.619 nan 8.360 nan 0.000 0.399 336 L N 4.543 125.993 121.223 0.378 0.000 2.410 336 L HA 0.466 4.819 4.340 0.022 0.000 0.273 336 L C -0.115 176.696 176.870 -0.098 0.000 1.152 336 L CA 0.644 55.412 54.840 -0.119 0.000 0.855 336 L CB 0.898 42.827 42.059 -0.217 0.000 1.129 336 L HN 0.573 nan 8.230 nan 0.000 0.463 337 G N 3.901 112.653 108.800 -0.080 0.000 2.563 337 G HA2 0.618 4.591 3.960 0.022 0.000 0.302 337 G HA3 0.618 4.591 3.960 0.022 0.000 0.302 337 G C -1.694 173.322 174.900 0.193 0.000 1.301 337 G CA -0.448 44.639 45.100 -0.023 0.000 0.965 337 G HN 0.308 nan 8.290 nan 0.000 0.480 338 F N 0.061 120.018 119.950 0.011 0.000 2.482 338 F HA 0.482 5.022 4.527 0.022 0.000 0.331 338 F C 0.434 176.217 175.800 -0.029 0.000 1.115 338 F CA -1.451 56.550 58.000 0.002 0.000 0.955 338 F CB 2.319 41.307 39.000 -0.019 0.000 1.136 338 F HN 0.273 nan 8.300 nan 0.000 0.452 339 Q N 3.085 122.987 119.800 0.170 0.000 2.322 339 Q HA 0.437 4.790 4.340 0.022 0.000 0.256 339 Q C -1.209 174.825 176.000 0.057 0.000 0.960 339 Q CA -0.718 55.137 55.803 0.087 0.000 0.934 339 Q CB 1.619 30.419 28.738 0.104 0.000 1.200 339 Q HN 0.307 nan 8.270 nan 0.000 0.435 340 L N 4.279 125.545 121.223 0.072 0.000 2.307 340 L HA 0.558 4.911 4.340 0.022 0.000 0.284 340 L C -0.559 176.356 176.870 0.075 0.000 1.023 340 L CA -0.375 54.494 54.840 0.048 0.000 0.810 340 L CB 1.526 43.623 42.059 0.065 0.000 1.231 340 L HN 0.594 nan 8.230 nan 0.000 0.423 341 I N 5.361 125.988 120.570 0.094 0.000 2.500 341 I HA 0.325 4.509 4.170 0.022 0.000 0.286 341 I C -2.256 173.963 176.117 0.171 0.000 1.063 341 I CA -1.791 59.602 61.300 0.156 0.000 1.062 341 I CB 2.508 40.615 38.000 0.177 0.000 1.223 341 I HN 0.397 nan 8.210 nan 0.000 0.435 342 P HA 0.044 nan 4.420 nan 0.000 0.269 342 P C 0.564 177.932 177.300 0.113 0.000 1.209 342 P CA -0.025 63.111 63.100 0.060 0.000 0.776 342 P CB 0.888 32.614 31.700 0.043 0.000 0.876 343 E N 1.573 121.772 120.200 -0.002 0.000 2.130 343 E HA -0.280 4.083 4.350 0.022 0.000 0.196 343 E C 0.992 177.683 176.600 0.153 0.000 0.998 343 E CA 1.594 58.013 56.400 0.031 0.000 0.806 343 E CB -0.058 29.578 29.700 -0.108 0.000 0.738 343 E HN 0.422 nan 8.360 nan 0.000 0.459 344 E N 0.549 120.810 120.200 0.101 0.000 2.265 344 E HA -0.143 4.220 4.350 0.022 0.000 0.196 344 E C 0.744 177.404 176.600 0.101 0.000 0.996 344 E CA 1.223 57.685 56.400 0.102 0.000 0.832 344 E CB 0.077 29.817 29.700 0.067 0.000 0.756 344 E HN 0.303 nan 8.360 nan 0.000 0.491 345 D N -0.031 120.430 120.400 0.102 0.000 2.358 345 D HA -0.016 4.637 4.640 0.022 0.000 0.224 345 D C 1.143 177.476 176.300 0.054 0.000 1.123 345 D CA 0.053 54.095 54.000 0.071 0.000 0.833 345 D CB 0.050 40.899 40.800 0.081 0.000 0.946 345 D HN 0.273 nan 8.370 nan 0.000 0.505 346 E N -0.057 120.115 120.200 -0.046 0.000 2.097 346 E HA -0.207 4.156 4.350 0.022 0.000 0.196 346 E C 0.403 176.686 176.600 -0.528 0.000 1.000 346 E CA 1.155 57.310 56.400 -0.408 0.000 0.804 346 E CB 0.023 29.256 29.700 -0.778 0.000 0.740 346 E HN 0.194 nan 8.360 nan 0.000 0.454 347 F N -0.052 119.922 119.950 0.040 0.000 2.668 347 F HA 0.276 4.816 4.527 0.022 0.000 0.297 347 F C 1.139 176.905 175.800 -0.056 0.000 1.124 347 F CA -0.015 57.985 58.000 -0.000 0.000 1.353 347 F CB 0.512 39.512 39.000 0.001 0.000 0.992 347 F HN -0.138 nan 8.300 nan 0.000 0.524 348 K N -0.367 120.016 120.400 -0.029 0.000 2.404 348 K HA 0.147 4.481 4.320 0.022 0.000 0.194 348 K C -0.049 176.237 176.600 -0.524 0.000 1.023 348 K CA 0.155 56.287 56.287 -0.258 0.000 1.094 348 K CB 0.236 32.520 32.500 -0.360 0.000 0.841 348 K HN 0.111 nan 8.250 nan 0.000 0.523 349 F N 0.752 120.538 119.950 -0.273 0.000 2.380 349 F HA 0.100 4.641 4.527 0.022 0.000 0.319 349 F C 1.393 176.976 175.800 -0.362 0.000 1.113 349 F CA -0.692 57.026 58.000 -0.471 0.000 1.056 349 F CB 0.596 38.907 39.000 -1.147 0.000 1.289 349 F HN -0.163 nan 8.300 nan 0.000 0.515 350 D N 0.046 120.388 120.400 -0.097 0.000 2.363 350 D HA 0.009 4.662 4.640 0.022 0.000 0.220 350 D C -0.325 176.032 176.300 0.095 0.000 0.994 350 D CA 0.943 54.973 54.000 0.050 0.000 0.890 350 D CB -0.207 40.722 40.800 0.215 0.000 0.906 350 D HN 0.232 nan 8.370 nan 0.000 0.530 351 F N -1.219 118.818 119.950 0.145 0.000 2.611 351 F HA 0.476 5.016 4.527 0.022 0.000 0.324 351 F C -0.180 175.611 175.800 -0.014 0.000 1.061 351 F CA -1.687 56.319 58.000 0.010 0.000 0.954 351 F CB 0.781 39.739 39.000 -0.070 0.000 1.301 351 F HN -0.405 nan 8.300 nan 0.000 0.482 352 D N 1.529 121.974 120.400 0.075 0.000 2.308 352 D HA 0.192 4.845 4.640 0.022 0.000 0.251 352 D C 0.930 177.214 176.300 -0.027 0.000 1.127 352 D CA -0.029 53.970 54.000 -0.002 0.000 0.876 352 D CB 1.461 42.282 40.800 0.035 0.000 1.176 352 D HN 0.760 nan 8.370 nan 0.000 0.446 353 L N 3.357 124.494 121.223 -0.144 0.000 2.362 353 L HA -0.105 4.249 4.340 0.022 0.000 0.219 353 L C 1.932 178.684 176.870 -0.196 0.000 1.134 353 L CA 0.604 55.325 54.840 -0.199 0.000 0.807 353 L CB -0.082 41.719 42.059 -0.430 0.000 0.927 353 L HN 0.421 nan 8.230 nan 0.000 0.447 354 L N -1.177 119.964 121.223 -0.136 0.000 2.592 354 L HA 0.085 4.438 4.340 0.022 0.000 0.227 354 L C 0.416 177.256 176.870 -0.050 0.000 1.127 354 L CA -0.160 54.662 54.840 -0.029 0.000 0.884 354 L CB -0.238 41.880 42.059 0.098 0.000 1.065 354 L HN 0.059 nan 8.230 nan 0.000 0.457 355 D N 2.021 122.155 120.400 -0.443 0.000 2.339 355 D HA 0.105 4.758 4.640 0.022 0.000 0.241 355 D C -1.525 174.547 176.300 -0.379 0.000 1.183 355 D CA -2.246 51.237 54.000 -0.862 0.000 0.859 355 D CB 1.474 41.490 40.800 -1.306 0.000 1.067 355 D HN -0.053 nan 8.370 nan 0.000 0.484 356 P HA -0.039 nan 4.420 nan 0.000 0.242 356 P C 0.783 177.981 177.300 -0.170 0.000 1.197 356 P CA 0.576 63.597 63.100 -0.131 0.000 0.765 356 P CB -0.025 31.679 31.700 0.007 0.000 0.936 357 T N -4.367 110.072 114.554 -0.191 0.000 3.107 357 T HA 0.157 4.520 4.350 0.022 0.000 0.249 357 T C 0.715 175.306 174.700 -0.183 0.000 1.096 357 T CA -0.120 61.884 62.100 -0.159 0.000 1.012 357 T CB -0.174 68.641 68.868 -0.088 0.000 0.977 357 T HN -0.115 nan 8.240 nan 0.000 0.527 358 K N 2.276 122.466 120.400 -0.350 0.000 2.274 358 K HA 0.538 4.872 4.320 0.022 0.000 0.262 358 K C -0.393 175.970 176.600 -0.396 0.000 0.961 358 K CA -0.794 55.126 56.287 -0.611 0.000 0.833 358 K CB 2.229 34.230 32.500 -0.830 0.000 1.102 358 K HN 0.299 nan 8.250 nan 0.000 0.436 359 L N 0.049 121.192 121.223 -0.133 0.000 2.375 359 L HA 0.630 4.983 4.340 0.022 0.000 0.268 359 L C -0.042 176.669 176.870 -0.265 0.000 1.058 359 L CA -0.412 54.341 54.840 -0.145 0.000 0.803 359 L CB 0.385 42.440 42.059 -0.007 0.000 1.212 359 L HN 0.446 nan 8.230 nan 0.000 0.451 360 I N 1.863 122.363 120.570 -0.116 0.000 2.306 360 I HA 0.352 4.536 4.170 0.022 0.000 0.288 360 I C -2.103 174.067 176.117 0.089 0.000 1.036 360 I CA -1.708 59.588 61.300 -0.007 0.000 1.221 360 I CB 1.126 39.130 38.000 0.007 0.000 1.385 360 I HN 0.458 nan 8.210 nan 0.000 0.472 361 P HA 0.026 nan 4.420 nan 0.000 0.264 361 P C 0.330 177.721 177.300 0.152 0.000 1.193 361 P CA 0.131 63.309 63.100 0.130 0.000 0.763 361 P CB 0.594 32.369 31.700 0.126 0.000 0.810 362 E N 2.003 122.291 120.200 0.146 0.000 2.204 362 E HA -0.191 4.172 4.350 0.022 0.000 0.194 362 E C 1.362 178.023 176.600 0.103 0.000 0.989 362 E CA 0.795 57.265 56.400 0.117 0.000 0.824 362 E CB -0.007 29.759 29.700 0.110 0.000 0.756 362 E HN 0.522 nan 8.360 nan 0.000 0.477 363 E N 0.349 120.610 120.200 0.103 0.000 2.204 363 E HA -0.147 4.216 4.350 0.022 0.000 0.195 363 E C 2.030 178.696 176.600 0.110 0.000 0.990 363 E CA 0.745 57.199 56.400 0.090 0.000 0.821 363 E CB 0.091 29.837 29.700 0.077 0.000 0.750 363 E HN 0.383 nan 8.360 nan 0.000 0.477 364 L N -0.329 120.987 121.223 0.156 0.000 2.221 364 L HA 0.065 4.418 4.340 0.022 0.000 0.202 364 L C 0.661 177.650 176.870 0.198 0.000 1.074 364 L CA 0.449 55.409 54.840 0.201 0.000 0.795 364 L CB 0.462 42.725 42.059 0.339 0.000 0.960 364 L HN -0.195 nan 8.230 nan 0.000 0.458 365 V N 1.120 121.144 119.914 0.183 0.000 2.445 365 V HA 0.310 4.443 4.120 0.022 0.000 0.283 365 V C -2.434 173.717 176.094 0.094 0.000 1.014 365 V CA -1.449 60.943 62.300 0.152 0.000 0.852 365 V CB 1.326 33.251 31.823 0.169 0.000 1.021 365 V HN -0.031 nan 8.190 nan 0.000 0.435 366 P HA 0.187 nan 4.420 nan 0.000 0.272 366 P C -0.305 176.996 177.300 0.002 0.000 1.230 366 P CA -0.065 63.057 63.100 0.037 0.000 0.788 366 P CB 0.815 32.539 31.700 0.041 0.000 0.949 367 V N 3.228 123.111 119.914 -0.052 0.000 2.432 367 V HA 0.109 4.242 4.120 0.022 0.000 0.271 367 V C 0.575 176.658 176.094 -0.018 0.000 1.046 367 V CA 0.008 62.241 62.300 -0.113 0.000 0.945 367 V CB 0.132 31.802 31.823 -0.255 0.000 0.992 367 V HN 0.455 nan 8.190 nan 0.000 0.471 368 Q N 4.761 124.573 119.800 0.019 0.000 2.278 368 Q HA 0.446 4.799 4.340 0.022 0.000 0.257 368 Q C -0.327 175.673 176.000 0.001 0.000 0.928 368 Q CA -0.613 55.207 55.803 0.028 0.000 0.932 368 Q CB 1.841 30.610 28.738 0.052 0.000 1.221 368 Q HN 0.616 nan 8.270 nan 0.000 0.434 369 R N 1.140 121.664 120.500 0.041 0.000 2.537 369 R HA 0.075 4.428 4.340 0.022 0.000 0.280 369 R C 0.420 176.758 176.300 0.063 0.000 1.058 369 R CA -0.042 56.124 56.100 0.109 0.000 1.057 369 R CB 0.595 31.021 30.300 0.210 0.000 0.973 369 R HN 0.434 nan 8.270 nan 0.000 0.438 370 V N 0.771 120.642 119.914 -0.071 0.000 3.250 370 V HA 0.335 4.468 4.120 0.022 0.000 0.240 370 V C 0.648 176.515 176.094 -0.378 0.000 1.275 370 V CA 0.947 63.079 62.300 -0.280 0.000 1.206 370 V CB 1.129 32.517 31.823 -0.726 0.000 0.976 370 V HN 1.004 nan 8.190 nan 0.000 0.467 371 G N -0.360 108.120 108.800 -0.533 0.000 2.441 371 G HA2 0.486 4.460 3.960 0.022 0.000 0.294 371 G HA3 0.486 4.460 3.960 0.022 0.000 0.294 371 G C -1.902 172.709 174.900 -0.482 0.000 1.393 371 G CA -0.559 43.995 45.100 -0.911 0.000 0.796 371 G HN 0.001 nan 8.290 nan 0.000 0.494 372 K N -0.136 120.004 120.400 -0.434 0.000 2.324 372 K HA 0.701 5.034 4.320 0.022 0.000 0.253 372 K C -0.782 175.906 176.600 0.147 0.000 0.932 372 K CA -0.768 55.532 56.287 0.022 0.000 0.799 372 K CB 1.933 34.470 32.500 0.062 0.000 1.154 372 K HN 0.558 nan 8.250 nan 0.000 0.425 373 M N 4.614 124.403 119.600 0.316 0.000 2.311 373 M HA 0.380 4.873 4.480 0.022 0.000 0.325 373 M C -1.711 174.569 176.300 -0.033 0.000 1.061 373 M CA -0.743 54.671 55.300 0.189 0.000 0.957 373 M CB 1.558 34.255 32.600 0.162 0.000 1.646 373 M HN 0.302 nan 8.290 nan 0.000 0.434 374 V N 5.774 125.506 119.914 -0.304 0.000 2.487 374 V HA 0.468 4.602 4.120 0.022 0.000 0.298 374 V C -0.973 174.982 176.094 -0.231 0.000 1.028 374 V CA -0.813 61.312 62.300 -0.292 0.000 0.860 374 V CB 1.724 33.255 31.823 -0.487 0.000 0.991 374 V HN 0.669 nan 8.190 nan 0.000 0.427 375 L N 5.873 127.051 121.223 -0.075 0.000 2.264 375 L HA 0.504 4.857 4.340 0.022 0.000 0.287 375 L C 0.626 177.435 176.870 -0.102 0.000 1.039 375 L CA 0.078 54.888 54.840 -0.050 0.000 0.829 375 L CB 1.039 43.119 42.059 0.036 0.000 1.211 375 L HN 0.857 nan 8.230 nan 0.000 0.427 376 N N 2.563 121.109 118.700 -0.256 0.000 2.238 376 N HA 0.185 4.938 4.740 0.022 0.000 0.235 376 N C -0.003 175.348 175.510 -0.265 0.000 1.209 376 N CA -0.284 52.383 53.050 -0.638 0.000 0.879 376 N CB 0.749 38.489 38.487 -1.246 0.000 1.136 376 N HN 0.409 nan 8.380 nan 0.000 0.517 377 R N 0.013 120.458 120.500 -0.091 0.000 2.579 377 R HA 0.284 4.637 4.340 0.022 0.000 0.260 377 R C -1.318 174.946 176.300 -0.060 0.000 1.103 377 R CA -0.561 55.500 56.100 -0.066 0.000 0.942 377 R CB 1.304 31.567 30.300 -0.061 0.000 1.251 377 R HN 0.062 nan 8.270 nan 0.000 0.450 378 N N 2.435 120.983 118.700 -0.253 0.000 2.445 378 N HA 0.328 5.081 4.740 0.022 0.000 0.264 378 N C -2.329 173.141 175.510 -0.066 0.000 1.227 378 N CA -1.327 51.445 53.050 -0.463 0.000 0.963 378 N CB 0.594 38.148 38.487 -1.556 0.000 1.188 378 N HN 0.271 nan 8.380 nan 0.000 0.491 379 P HA 0.080 nan 4.420 nan 0.000 0.274 379 P C 0.287 177.767 177.300 0.299 0.000 1.264 379 P CA -0.011 63.289 63.100 0.334 0.000 0.795 379 P CB 0.790 32.746 31.700 0.427 0.000 1.064 380 D N -1.425 119.128 120.400 0.255 0.000 2.338 380 D HA 0.003 4.657 4.640 0.022 0.000 0.224 380 D C 0.267 176.734 176.300 0.278 0.000 0.967 380 D CA 1.134 55.276 54.000 0.236 0.000 0.896 380 D CB 0.206 41.087 40.800 0.135 0.000 1.028 380 D HN 0.335 nan 8.370 nan 0.000 0.493 381 N N 0.067 118.925 118.700 0.264 0.000 2.448 381 N HA 0.015 4.769 4.740 0.022 0.000 0.279 381 N C 0.062 175.775 175.510 0.338 0.000 1.025 381 N CA -0.320 52.898 53.050 0.280 0.000 0.898 381 N CB 1.509 40.126 38.487 0.217 0.000 1.303 381 N HN -0.185 nan 8.380 nan 0.000 0.495 382 F N 4.404 124.502 119.950 0.246 0.000 2.126 382 F HA -0.186 4.353 4.527 0.021 0.000 0.299 382 F C 1.607 177.533 175.800 0.210 0.000 1.096 382 F CA 1.566 59.711 58.000 0.242 0.000 1.255 382 F CB -0.123 38.994 39.000 0.195 0.000 0.997 382 F HN 0.611 nan 8.300 nan 0.000 0.479 383 F N 0.692 120.840 119.950 0.331 0.000 2.113 383 F HA -0.056 4.485 4.527 0.023 0.000 0.297 383 F C 2.295 178.138 175.800 0.072 0.000 1.103 383 F CA 1.612 59.737 58.000 0.209 0.000 1.248 383 F CB -1.017 38.102 39.000 0.198 0.000 0.999 383 F HN -0.029 nan 8.300 nan 0.000 0.475 384 A N -0.106 122.853 122.820 0.231 0.000 1.902 384 A HA -0.164 4.170 4.320 0.022 0.000 0.217 384 A C 2.072 179.589 177.584 -0.111 0.000 1.181 384 A CA 2.049 54.127 52.037 0.069 0.000 0.623 384 A CB -0.695 18.394 19.000 0.147 0.000 0.818 384 A HN 0.597 nan 8.150 nan 0.000 0.443 385 E N -1.298 118.847 120.200 -0.091 0.000 2.132 385 E HA -0.016 4.347 4.350 0.022 0.000 0.193 385 E C 1.947 178.448 176.600 -0.165 0.000 0.951 385 E CA 0.669 56.952 56.400 -0.195 0.000 0.843 385 E CB -0.117 29.517 29.700 -0.109 0.000 0.807 385 E HN 0.750 nan 8.360 nan 0.000 0.467 386 N N 0.804 119.418 118.700 -0.143 0.000 2.124 386 N HA -0.190 4.563 4.740 0.022 0.000 0.189 386 N C 1.956 177.269 175.510 -0.328 0.000 1.050 386 N CA 1.016 53.918 53.050 -0.247 0.000 0.848 386 N CB 0.145 38.093 38.487 -0.897 0.000 1.027 386 N HN -0.108 nan 8.380 nan 0.000 0.435 387 E N 0.638 120.554 120.200 -0.474 0.000 2.097 387 E HA -0.225 4.139 4.350 0.022 0.000 0.196 387 E C 1.691 178.080 176.600 -0.352 0.000 1.000 387 E CA 1.681 57.872 56.400 -0.348 0.000 0.804 387 E CB -0.068 29.439 29.700 -0.323 0.000 0.740 387 E HN 0.493 nan 8.360 nan 0.000 0.454 388 Q N -0.352 119.183 119.800 -0.441 0.000 2.451 388 Q HA 0.204 4.557 4.340 0.022 0.000 0.206 388 Q C 0.109 175.984 176.000 -0.210 0.000 0.947 388 Q CA 0.263 55.874 55.803 -0.321 0.000 0.937 388 Q CB 0.309 28.854 28.738 -0.322 0.000 1.025 388 Q HN 0.244 nan 8.270 nan 0.000 0.511 389 A N 1.223 123.928 122.820 -0.192 0.000 2.511 389 A HA 0.432 4.766 4.320 0.022 0.000 0.242 389 A C -0.144 177.300 177.584 -0.232 0.000 1.069 389 A CA 0.247 52.145 52.037 -0.233 0.000 0.763 389 A CB 0.207 19.139 19.000 -0.113 0.000 1.001 389 A HN 0.270 nan 8.150 nan 0.000 0.498 390 A N 2.491 125.115 122.820 -0.327 0.000 2.332 390 A HA 0.713 5.046 4.320 0.022 0.000 0.300 390 A C -0.857 176.578 177.584 -0.248 0.000 1.153 390 A CA -0.448 51.471 52.037 -0.195 0.000 0.764 390 A CB 0.358 19.274 19.000 -0.141 0.000 1.174 390 A HN 0.644 nan 8.150 nan 0.000 0.467 391 F N 0.623 120.548 119.950 -0.042 0.000 2.458 391 F HA 0.645 5.185 4.527 0.022 0.000 0.330 391 F C 0.587 176.279 175.800 -0.180 0.000 1.082 391 F CA -0.340 57.606 58.000 -0.091 0.000 0.995 391 F CB 1.931 40.843 39.000 -0.148 0.000 1.170 391 F HN 0.532 nan 8.300 nan 0.000 0.478 392 Q N 3.420 123.086 119.800 -0.223 0.000 2.285 392 Q HA 0.263 4.616 4.340 0.022 0.000 0.269 392 Q C -2.189 173.479 176.000 -0.553 0.000 1.030 392 Q CA -1.943 53.480 55.803 -0.633 0.000 0.788 392 Q CB 2.955 31.138 28.738 -0.925 0.000 1.266 392 Q HN 0.253 nan 8.270 nan 0.000 0.438 393 P HA -0.144 nan 4.420 nan 0.000 0.225 393 P C 0.929 178.229 177.300 -0.000 0.000 1.148 393 P CA 1.094 64.041 63.100 -0.255 0.000 0.779 393 P CB 0.198 31.748 31.700 -0.249 0.000 0.780 394 G N -1.526 107.188 108.800 -0.144 0.000 2.744 394 G HA2 -0.115 3.858 3.960 0.022 0.000 0.211 394 G HA3 -0.115 3.858 3.960 0.022 0.000 0.211 394 G C 0.314 175.350 174.900 0.227 0.000 1.143 394 G CA -0.049 45.092 45.100 0.069 0.000 0.788 394 G HN 0.416 nan 8.290 nan 0.000 0.534 395 H N 0.711 119.830 119.070 0.082 0.000 3.014 395 H HA 0.363 4.932 4.556 0.022 0.000 0.266 395 H C 0.420 175.844 175.328 0.159 0.000 1.455 395 H CA -0.773 55.312 56.048 0.062 0.000 1.402 395 H CB 0.105 29.866 29.762 -0.000 0.000 1.626 395 H HN 0.352 nan 8.280 nan 0.000 0.520 396 I N -0.199 120.491 120.570 0.200 0.000 2.982 396 I HA 0.689 4.872 4.170 0.022 0.000 0.312 396 I C -0.166 175.927 176.117 -0.039 0.000 1.041 396 I CA -1.367 59.965 61.300 0.055 0.000 1.053 396 I CB 1.912 39.830 38.000 -0.135 0.000 1.248 396 I HN 0.129 nan 8.210 nan 0.000 0.471 397 V N -1.302 118.575 119.914 -0.062 0.000 3.102 397 V HA 0.694 4.827 4.120 0.022 0.000 0.312 397 V C -2.842 173.344 176.094 0.154 0.000 1.135 397 V CA -2.541 59.785 62.300 0.043 0.000 1.022 397 V CB 1.058 32.892 31.823 0.019 0.000 1.056 397 V HN 0.660 nan 8.190 nan 0.000 0.436 398 P HA 0.405 nan 4.420 nan 0.000 0.264 398 P C 0.853 178.148 177.300 -0.009 0.000 1.193 398 P CA 1.731 64.896 63.100 0.108 0.000 0.763 398 P CB 0.725 32.468 31.700 0.073 0.000 0.810 399 G N 1.669 110.417 108.800 -0.087 0.000 2.231 399 G HA2 -0.149 3.824 3.960 0.022 0.000 0.206 399 G HA3 -0.149 3.824 3.960 0.022 0.000 0.206 399 G C -0.278 174.534 174.900 -0.147 0.000 0.996 399 G CA -0.416 44.615 45.100 -0.116 0.000 0.645 399 G HN 0.450 nan 8.290 nan 0.000 0.498 400 L N -0.018 121.130 121.223 -0.126 0.000 2.301 400 L HA 0.928 5.281 4.340 0.022 0.000 0.264 400 L C -0.530 176.276 176.870 -0.106 0.000 1.016 400 L CA -1.073 53.672 54.840 -0.159 0.000 0.821 400 L CB 2.113 44.005 42.059 -0.278 0.000 1.346 400 L HN 0.102 nan 8.230 nan 0.000 0.429 401 D N -0.872 119.459 120.400 -0.115 0.000 2.665 401 D HA 0.446 5.099 4.640 0.022 0.000 0.287 401 D C -1.188 175.059 176.300 -0.088 0.000 1.266 401 D CA -0.343 53.556 54.000 -0.169 0.000 0.830 401 D CB 1.888 42.663 40.800 -0.041 0.000 1.356 401 D HN 0.043 nan 8.370 nan 0.000 0.437 402 F N 0.081 120.173 119.950 0.237 0.000 2.291 402 F HA 0.552 5.092 4.527 0.022 0.000 0.305 402 F C 1.515 177.357 175.800 0.070 0.000 1.171 402 F CA -0.216 57.867 58.000 0.137 0.000 1.090 402 F CB 0.413 39.458 39.000 0.075 0.000 1.436 402 F HN 0.233 nan 8.300 nan 0.000 0.509 403 T N -3.151 111.518 114.554 0.191 0.000 2.804 403 T HA 0.348 4.711 4.350 0.022 0.000 0.290 403 T C -0.044 174.695 174.700 0.065 0.000 1.099 403 T CA -0.914 61.268 62.100 0.136 0.000 1.011 403 T CB 1.222 70.148 68.868 0.097 0.000 1.291 403 T HN 0.307 nan 8.240 nan 0.000 0.523 404 N N 1.071 119.813 118.700 0.070 0.000 2.383 404 N HA 0.068 4.821 4.740 0.022 0.000 0.192 404 N C 0.042 175.560 175.510 0.014 0.000 1.141 404 N CA 0.052 53.124 53.050 0.037 0.000 0.851 404 N CB -0.388 38.134 38.487 0.059 0.000 0.976 404 N HN 0.709 nan 8.380 nan 0.000 0.465 405 D N 2.387 122.784 120.400 -0.005 0.000 2.570 405 D HA -0.077 4.576 4.640 0.022 0.000 0.243 405 D C -1.342 174.954 176.300 -0.007 0.000 1.171 405 D CA -0.895 53.128 54.000 0.038 0.000 0.879 405 D CB 1.270 42.048 40.800 -0.037 0.000 1.143 405 D HN 0.156 nan 8.370 nan 0.000 0.511 406 P HA -0.103 nan 4.420 nan 0.000 0.229 406 P C 1.569 178.882 177.300 0.023 0.000 1.160 406 P CA 0.145 63.255 63.100 0.015 0.000 0.777 406 P CB 0.425 32.127 31.700 0.003 0.000 0.814 407 L N -0.168 121.095 121.223 0.067 0.000 2.068 407 L HA -0.006 4.347 4.340 0.022 0.000 0.204 407 L C 2.428 179.237 176.870 -0.102 0.000 1.076 407 L CA 1.224 56.101 54.840 0.062 0.000 0.753 407 L CB -1.543 40.631 42.059 0.193 0.000 0.910 407 L HN -0.178 nan 8.230 nan 0.000 0.439 408 L N -0.422 120.587 121.223 -0.357 0.000 2.012 408 L HA -0.242 4.111 4.340 0.022 0.000 0.210 408 L C 2.470 179.105 176.870 -0.392 0.000 1.073 408 L CA 1.837 56.258 54.840 -0.697 0.000 0.748 408 L CB -0.991 40.382 42.059 -1.143 0.000 0.891 408 L HN 0.380 nan 8.230 nan 0.000 0.431 409 Q N -0.072 119.560 119.800 -0.280 0.000 2.133 409 Q HA -0.210 4.144 4.340 0.022 0.000 0.208 409 Q C 2.099 178.013 176.000 -0.143 0.000 0.991 409 Q CA 1.952 57.630 55.803 -0.208 0.000 0.867 409 Q CB -0.902 27.763 28.738 -0.121 0.000 0.911 409 Q HN 0.735 nan 8.270 nan 0.000 0.417 410 G N 0.377 109.122 108.800 -0.091 0.000 2.421 410 G HA2 -0.213 3.760 3.960 0.022 0.000 0.217 410 G HA3 -0.213 3.760 3.960 0.022 0.000 0.217 410 G C 1.503 176.404 174.900 0.002 0.000 1.143 410 G CA 0.203 45.288 45.100 -0.024 0.000 0.784 410 G HN 0.257 nan 8.290 nan 0.000 0.541 411 R N -0.151 120.303 120.500 -0.077 0.000 2.120 411 R HA 0.045 4.398 4.340 0.022 0.000 0.234 411 R C 2.450 178.749 176.300 -0.001 0.000 1.123 411 R CA 0.736 56.829 56.100 -0.011 0.000 0.975 411 R CB -0.403 29.841 30.300 -0.094 0.000 0.866 411 R HN 0.356 nan 8.270 nan 0.000 0.446 412 L N -0.547 120.598 121.223 -0.130 0.000 2.191 412 L HA -0.158 4.195 4.340 0.022 0.000 0.212 412 L C 2.190 179.049 176.870 -0.019 0.000 1.103 412 L CA 0.933 55.669 54.840 -0.173 0.000 0.769 412 L CB -0.387 41.458 42.059 -0.357 0.000 0.908 412 L HN 0.133 nan 8.230 nan 0.000 0.438 413 F N -0.009 119.897 119.950 -0.073 0.000 2.149 413 F HA -0.148 4.392 4.527 0.022 0.000 0.294 413 F C 2.770 178.572 175.800 0.002 0.000 1.095 413 F CA 1.475 59.457 58.000 -0.030 0.000 1.276 413 F CB -0.255 38.727 39.000 -0.030 0.000 1.023 413 F HN -0.081 nan 8.300 nan 0.000 0.480 414 S N -0.708 114.982 115.700 -0.017 0.000 2.368 414 S HA -0.222 4.261 4.470 0.022 0.000 0.225 414 S C 2.048 176.512 174.600 -0.226 0.000 1.030 414 S CA 1.626 59.737 58.200 -0.148 0.000 0.999 414 S CB -0.665 62.492 63.200 -0.073 0.000 0.844 414 S HN 0.503 nan 8.310 nan 0.000 0.459 415 Y N 1.703 121.847 120.300 -0.260 0.000 2.200 415 Y HA -0.024 4.539 4.550 0.022 0.000 0.290 415 Y C 3.022 178.743 175.900 -0.299 0.000 1.137 415 Y CA 1.563 59.509 58.100 -0.255 0.000 1.163 415 Y CB -1.196 37.112 38.460 -0.253 0.000 0.988 415 Y HN 0.234 nan 8.280 nan 0.000 0.518 416 T N -0.489 113.992 114.554 -0.121 0.000 2.788 416 T HA -0.198 4.165 4.350 0.022 0.000 0.268 416 T C 1.478 176.052 174.700 -0.209 0.000 1.044 416 T CA 1.649 63.663 62.100 -0.143 0.000 1.139 416 T CB -0.448 68.404 68.868 -0.027 0.000 0.867 416 T HN 0.345 nan 8.240 nan 0.000 0.454 417 D N 0.651 120.862 120.400 -0.314 0.000 2.092 417 D HA -0.123 4.530 4.640 0.022 0.000 0.193 417 D C 2.321 178.497 176.300 -0.207 0.000 0.994 417 D CA 1.655 55.468 54.000 -0.312 0.000 0.828 417 D CB -0.512 39.950 40.800 -0.563 0.000 0.963 417 D HN 0.227 nan 8.370 nan 0.000 0.450 418 T N -0.987 113.433 114.554 -0.224 0.000 2.788 418 T HA -0.158 4.205 4.350 0.022 0.000 0.268 418 T C 1.852 176.441 174.700 -0.186 0.000 1.044 418 T CA 1.491 63.486 62.100 -0.175 0.000 1.139 418 T CB -0.229 68.523 68.868 -0.193 0.000 0.867 418 T HN 0.236 nan 8.240 nan 0.000 0.454 419 Q N -0.084 119.547 119.800 -0.282 0.000 2.291 419 Q HA -0.009 4.344 4.340 0.022 0.000 0.205 419 Q C 2.145 177.999 176.000 -0.244 0.000 0.970 419 Q CA 0.816 56.383 55.803 -0.393 0.000 0.876 419 Q CB -0.067 28.146 28.738 -0.874 0.000 0.935 419 Q HN 0.478 nan 8.270 nan 0.000 0.455 420 I N 0.430 120.931 120.570 -0.114 0.000 2.286 420 I HA -0.215 3.968 4.170 0.022 0.000 0.248 420 I C 2.373 178.499 176.117 0.016 0.000 1.115 420 I CA 1.584 62.897 61.300 0.021 0.000 1.392 420 I CB -1.305 36.714 38.000 0.032 0.000 1.065 420 I HN 0.212 nan 8.210 nan 0.000 0.418 421 S N 0.447 116.138 115.700 -0.015 0.000 2.404 421 S HA -0.068 4.415 4.470 0.022 0.000 0.223 421 S C 2.156 176.762 174.600 0.010 0.000 1.040 421 S CA 0.151 58.355 58.200 0.006 0.000 0.957 421 S CB -0.352 62.850 63.200 0.003 0.000 0.826 421 S HN 0.318 nan 8.310 nan 0.000 0.491 422 R N 1.053 121.539 120.500 -0.024 0.000 2.081 422 R HA 0.146 4.499 4.340 0.022 0.000 0.235 422 R C 1.278 177.585 176.300 0.012 0.000 1.131 422 R CA 1.386 57.477 56.100 -0.015 0.000 0.960 422 R CB -0.271 29.997 30.300 -0.054 0.000 0.856 422 R HN 0.457 nan 8.270 nan 0.000 0.436 423 L N -0.523 120.704 121.223 0.007 0.000 2.818 423 L HA 0.348 4.702 4.340 0.022 0.000 0.243 423 L C 0.801 177.773 176.870 0.170 0.000 1.185 423 L CA 0.253 55.134 54.840 0.067 0.000 0.988 423 L CB 1.097 43.181 42.059 0.042 0.000 1.292 423 L HN 0.558 nan 8.230 nan 0.000 0.519 424 G N -0.124 108.764 108.800 0.148 0.000 2.159 424 G HA2 -0.116 3.858 3.960 0.022 0.000 0.256 424 G HA3 -0.116 3.858 3.960 0.022 0.000 0.256 424 G C 0.437 175.406 174.900 0.115 0.000 0.977 424 G CA 0.003 45.207 45.100 0.174 0.000 0.652 424 G HN 0.805 nan 8.290 nan 0.000 0.531 425 G N -1.656 107.238 108.800 0.157 0.000 2.341 425 G HA2 0.607 4.581 3.960 0.022 0.000 0.293 425 G HA3 0.607 4.581 3.960 0.022 0.000 0.293 425 G C -2.290 172.766 174.900 0.259 0.000 1.298 425 G CA 0.366 45.547 45.100 0.136 0.000 0.868 425 G HN 0.463 nan 8.290 nan 0.000 0.540 426 P HA 0.135 nan 4.420 nan 0.000 0.255 426 P C 0.165 177.488 177.300 0.039 0.000 1.248 426 P CA 0.265 63.483 63.100 0.197 0.000 0.807 426 P CB 0.226 31.995 31.700 0.115 0.000 1.150 427 N N 0.537 119.267 118.700 0.050 0.000 2.378 427 N HA 0.072 4.825 4.740 0.022 0.000 0.243 427 N C 0.943 176.319 175.510 -0.223 0.000 1.137 427 N CA -0.183 52.796 53.050 -0.119 0.000 0.862 427 N CB -0.515 37.929 38.487 -0.071 0.000 1.116 427 N HN 0.272 nan 8.380 nan 0.000 0.499 428 F N 0.480 120.453 119.950 0.038 0.000 2.451 428 F HA -0.032 4.507 4.527 0.020 0.000 0.299 428 F C 2.225 177.991 175.800 -0.055 0.000 1.101 428 F CA 0.577 58.569 58.000 -0.014 0.000 1.436 428 F CB -0.668 38.340 39.000 0.013 0.000 1.074 428 F HN 0.161 nan 8.300 nan 0.000 0.553 429 H N 0.436 119.176 119.070 -0.550 0.000 2.524 429 H HA 0.065 4.634 4.556 0.022 0.000 0.282 429 H C 0.847 176.030 175.328 -0.243 0.000 1.016 429 H CA 1.361 57.173 56.048 -0.392 0.000 1.270 429 H CB -0.727 28.683 29.762 -0.587 0.000 1.394 429 H HN 0.508 nan 8.280 nan 0.000 0.568 430 E N 0.931 120.719 120.200 -0.687 0.000 2.489 430 E HA 0.186 4.549 4.350 0.022 0.000 0.193 430 E C 0.271 176.747 176.600 -0.207 0.000 1.057 430 E CA -0.287 55.859 56.400 -0.423 0.000 0.866 430 E CB 0.478 29.921 29.700 -0.429 0.000 0.916 430 E HN 0.424 nan 8.360 nan 0.000 0.500 431 I N 2.384 122.863 120.570 -0.151 0.000 2.648 431 I HA -0.035 4.148 4.170 0.022 0.000 0.284 431 I C -1.515 174.540 176.117 -0.104 0.000 1.153 431 I CA -1.633 59.607 61.300 -0.101 0.000 1.426 431 I CB 0.655 38.615 38.000 -0.067 0.000 1.381 431 I HN -0.179 nan 8.210 nan 0.000 0.571 432 P HA -0.241 nan 4.420 nan 0.000 0.215 432 P C 1.724 178.948 177.300 -0.127 0.000 1.163 432 P CA 1.280 64.319 63.100 -0.103 0.000 0.894 432 P CB 0.164 31.811 31.700 -0.089 0.000 0.791 433 I N -0.689 119.779 120.570 -0.170 0.000 2.335 433 I HA -0.202 3.981 4.170 0.022 0.000 0.251 433 I C 1.389 177.429 176.117 -0.128 0.000 1.129 433 I CA 1.738 62.890 61.300 -0.247 0.000 1.402 433 I CB -0.666 37.066 38.000 -0.447 0.000 1.069 433 I HN -0.127 nan 8.210 nan 0.000 0.424 434 N N 0.718 119.358 118.700 -0.100 0.000 2.463 434 N HA 0.020 4.773 4.740 0.022 0.000 0.181 434 N C 0.276 175.795 175.510 0.016 0.000 1.078 434 N CA 0.245 53.267 53.050 -0.046 0.000 0.902 434 N CB -0.168 38.309 38.487 -0.018 0.000 0.970 434 N HN 0.382 nan 8.380 nan 0.000 0.451 435 R N 1.671 122.172 120.500 0.001 0.000 2.522 435 R HA 0.121 4.474 4.340 0.022 0.000 0.284 435 R C -2.219 174.138 176.300 0.094 0.000 1.032 435 R CA -1.143 54.961 56.100 0.006 0.000 1.049 435 R CB -0.164 30.119 30.300 -0.027 0.000 0.956 435 R HN 0.044 nan 8.270 nan 0.000 0.422 436 P HA -0.019 nan 4.420 nan 0.000 0.269 436 P C 0.529 177.892 177.300 0.105 0.000 1.209 436 P CA 0.053 63.223 63.100 0.117 0.000 0.776 436 P CB 0.698 32.428 31.700 0.050 0.000 0.876 437 T N -2.151 112.475 114.554 0.119 0.000 3.065 437 T HA 0.051 4.414 4.350 0.022 0.000 0.252 437 T C 0.927 175.668 174.700 0.068 0.000 1.099 437 T CA 0.035 62.166 62.100 0.051 0.000 1.063 437 T CB -0.971 67.909 68.868 0.021 0.000 0.948 437 T HN 0.583 nan 8.240 nan 0.000 0.506 438 C N 1.009 120.365 119.300 0.093 0.000 2.347 438 C HA 0.775 5.249 4.460 0.022 0.000 0.366 438 C C -2.440 172.609 174.990 0.098 0.000 1.241 438 C CA -2.581 56.491 59.018 0.090 0.000 2.360 438 C CB 0.050 27.848 27.740 0.096 0.000 2.290 438 C HN 0.149 nan 8.230 nan 0.000 0.587 439 P HA 0.290 nan 4.420 nan 0.000 0.269 439 P C -1.214 176.168 177.300 0.135 0.000 1.215 439 P CA 0.465 63.639 63.100 0.124 0.000 0.780 439 P CB 0.005 31.808 31.700 0.172 0.000 0.898 440 Y N 0.496 120.697 120.300 -0.164 0.000 2.396 440 Y HA 0.644 5.206 4.550 0.021 0.000 0.332 440 Y C -1.581 174.012 175.900 -0.512 0.000 1.034 440 Y CA -0.992 56.988 58.100 -0.200 0.000 1.057 440 Y CB 1.030 39.391 38.460 -0.165 0.000 1.220 440 Y HN 0.444 nan 8.280 nan 0.000 0.440 441 H N 3.764 122.751 119.070 -0.138 0.000 2.947 441 H HA 0.619 5.188 4.556 0.022 0.000 0.354 441 H C -1.108 174.115 175.328 -0.175 0.000 1.085 441 H CA -0.750 55.132 56.048 -0.277 0.000 1.253 441 H CB 1.737 31.357 29.762 -0.236 0.000 1.757 441 H HN 0.889 nan 8.280 nan 0.000 0.523 442 N N 0.238 118.836 118.700 -0.169 0.000 3.387 442 N HA 0.170 4.923 4.740 0.022 0.000 0.294 442 N C -1.265 174.033 175.510 -0.353 0.000 1.519 442 N CA -0.905 52.006 53.050 -0.232 0.000 0.875 442 N CB 0.602 39.099 38.487 0.016 0.000 1.657 442 N HN 0.283 nan 8.380 nan 0.000 0.527 443 F N -0.273 119.718 119.950 0.069 0.000 2.641 443 F HA 0.361 4.901 4.527 0.021 0.000 0.302 443 F C 0.409 176.252 175.800 0.071 0.000 1.098 443 F CA -0.330 57.707 58.000 0.061 0.000 1.318 443 F CB 0.028 39.060 39.000 0.052 0.000 1.035 443 F HN 0.151 nan 8.300 nan 0.000 0.551 444 Q N 1.762 121.668 119.800 0.176 0.000 2.332 444 Q HA 0.353 4.706 4.340 0.022 0.000 0.263 444 Q C 0.095 176.170 176.000 0.125 0.000 0.979 444 Q CA 0.110 55.994 55.803 0.135 0.000 0.885 444 Q CB 0.989 29.782 28.738 0.092 0.000 1.218 444 Q HN 0.105 nan 8.270 nan 0.000 0.405 445 R N 1.820 122.388 120.500 0.113 0.000 2.836 445 R HA 0.354 4.708 4.340 0.022 0.000 0.269 445 R C -0.579 175.769 176.300 0.080 0.000 1.010 445 R CA -0.662 55.497 56.100 0.098 0.000 0.930 445 R CB 1.224 31.584 30.300 0.100 0.000 1.218 445 R HN 0.695 nan 8.270 nan 0.000 0.473 446 D N -0.144 120.297 120.400 0.068 0.000 3.369 446 D HA -0.166 4.487 4.640 0.022 0.000 0.217 446 D C 0.312 176.643 176.300 0.050 0.000 1.532 446 D CA 2.031 56.063 54.000 0.053 0.000 1.126 446 D CB -1.019 39.810 40.800 0.048 0.000 0.683 446 D HN 0.903 nan 8.370 nan 0.000 0.827 447 G N -1.437 107.385 108.800 0.035 0.000 2.705 447 G HA2 0.196 4.169 3.960 0.022 0.000 0.686 447 G HA3 0.196 4.169 3.960 0.022 0.000 0.686 447 G C -0.220 174.681 174.900 0.002 0.000 1.285 447 G CA 0.018 45.133 45.100 0.026 0.000 0.800 447 G HN 0.825 nan 8.290 nan 0.000 0.611 448 M N 1.769 121.341 119.600 -0.046 0.000 2.248 448 M HA 0.350 4.843 4.480 0.022 0.000 0.343 448 M C 1.342 177.599 176.300 -0.073 0.000 1.243 448 M CA 1.666 56.874 55.300 -0.154 0.000 1.025 448 M CB -0.933 31.468 32.600 -0.331 0.000 1.759 448 M HN 1.238 nan 8.290 nan 0.000 0.452 449 H N -0.032 119.045 119.070 0.012 0.000 2.839 449 H HA -0.181 4.388 4.556 0.021 0.000 0.298 449 H C -0.328 174.993 175.328 -0.012 0.000 1.224 449 H CA 0.388 56.438 56.048 0.003 0.000 1.144 449 H CB -1.474 28.293 29.762 0.007 0.000 1.372 449 H HN 0.622 nan 8.280 nan 0.000 0.408 450 R N 1.599 122.150 120.500 0.085 0.000 2.404 450 R HA 0.057 4.410 4.340 0.022 0.000 0.315 450 R C 0.999 177.316 176.300 0.029 0.000 1.032 450 R CA 0.127 56.253 56.100 0.044 0.000 0.992 450 R CB 0.325 30.650 30.300 0.042 0.000 0.959 450 R HN 0.326 nan 8.270 nan 0.000 0.428 451 M N 2.708 122.308 119.600 -0.000 0.000 2.412 451 M HA 0.200 4.693 4.480 0.022 0.000 0.263 451 M C 1.007 177.303 176.300 -0.006 0.000 1.122 451 M CA 0.923 56.217 55.300 -0.009 0.000 1.179 451 M CB -0.761 31.818 32.600 -0.036 0.000 1.335 451 M HN 0.693 nan 8.290 nan 0.000 0.465 452 G N 2.380 111.180 108.800 -0.001 0.000 2.299 452 G HA2 0.340 4.313 3.960 0.022 0.000 0.256 452 G HA3 0.340 4.313 3.960 0.022 0.000 0.256 452 G C -0.341 174.558 174.900 -0.002 0.000 1.259 452 G CA -0.289 44.809 45.100 -0.003 0.000 0.943 452 G HN 0.321 nan 8.290 nan 0.000 0.479 453 I N 3.008 123.570 120.570 -0.013 0.000 2.306 453 I HA 0.113 4.296 4.170 0.022 0.000 0.288 453 I C -0.269 175.840 176.117 -0.014 0.000 1.036 453 I CA -0.533 60.763 61.300 -0.006 0.000 1.221 453 I CB 1.018 39.015 38.000 -0.004 0.000 1.385 453 I HN 0.356 nan 8.210 nan 0.000 0.472 454 D N 4.787 125.185 120.400 -0.004 0.000 2.308 454 D HA 0.102 4.755 4.640 0.022 0.000 0.251 454 D C 1.123 177.426 176.300 0.005 0.000 1.127 454 D CA 0.155 54.150 54.000 -0.008 0.000 0.876 454 D CB 1.915 42.717 40.800 0.002 0.000 1.176 454 D HN 0.569 nan 8.370 nan 0.000 0.446 455 T N -0.991 113.562 114.554 -0.003 0.000 3.040 455 T HA -0.044 4.319 4.350 0.022 0.000 0.250 455 T C 0.817 175.526 174.700 0.014 0.000 1.058 455 T CA -0.520 61.582 62.100 0.004 0.000 0.988 455 T CB 0.159 69.022 68.868 -0.009 0.000 0.993 455 T HN 0.104 nan 8.240 nan 0.000 0.519 456 N N 3.431 122.141 118.700 0.018 0.000 2.411 456 N HA 0.103 4.856 4.740 0.022 0.000 0.265 456 N C -1.675 173.874 175.510 0.065 0.000 1.266 456 N CA -1.512 51.562 53.050 0.039 0.000 0.889 456 N CB 1.454 39.966 38.487 0.042 0.000 1.069 456 N HN 0.078 nan 8.380 nan 0.000 0.476 457 P HA -0.038 nan 4.420 nan 0.000 0.219 457 P C -0.494 176.864 177.300 0.097 0.000 1.146 457 P CA 0.958 64.103 63.100 0.074 0.000 0.808 457 P CB 0.215 31.955 31.700 0.066 0.000 0.779 458 A N 0.533 123.400 122.820 0.079 0.000 2.303 458 A HA 0.412 4.745 4.320 0.022 0.000 0.317 458 A C 0.498 178.183 177.584 0.168 0.000 1.149 458 A CA -0.605 51.433 52.037 0.003 0.000 0.822 458 A CB 0.024 18.855 19.000 -0.282 0.000 1.131 458 A HN 0.285 nan 8.150 nan 0.000 0.493 459 N N -0.313 118.520 118.700 0.221 0.000 2.291 459 N HA 0.343 5.096 4.740 0.022 0.000 0.244 459 N C -0.877 174.800 175.510 0.278 0.000 1.216 459 N CA -0.367 52.893 53.050 0.351 0.000 0.879 459 N CB 0.375 39.023 38.487 0.269 0.000 1.167 459 N HN 0.665 nan 8.380 nan 0.000 0.515 460 Y N -0.851 119.332 120.300 -0.195 0.000 2.625 460 Y HA 0.719 5.282 4.550 0.021 0.000 0.338 460 Y C -1.359 173.911 175.900 -1.050 0.000 1.123 460 Y CA -1.431 56.365 58.100 -0.508 0.000 1.046 460 Y CB 0.993 39.320 38.460 -0.222 0.000 1.299 460 Y HN 0.060 nan 8.280 nan 0.000 0.464 461 E N 0.834 120.552 120.200 -0.803 0.000 2.340 461 E HA 0.669 5.033 4.350 0.022 0.000 0.273 461 E C -3.168 173.333 176.600 -0.166 0.000 0.891 461 E CA -2.055 53.985 56.400 -0.600 0.000 0.757 461 E CB 1.624 30.933 29.700 -0.652 0.000 1.231 461 E HN 0.571 nan 8.360 nan 0.000 0.439 462 P HA 0.314 nan 4.420 nan 0.000 0.278 462 P C -1.280 175.979 177.300 -0.069 0.000 1.238 462 P CA -0.471 62.567 63.100 -0.104 0.000 0.794 462 P CB 0.608 32.279 31.700 -0.049 0.000 0.955 463 N N -1.317 117.271 118.700 -0.186 0.000 2.321 463 N HA 0.388 5.141 4.740 0.022 0.000 0.290 463 N C 0.328 175.794 175.510 -0.072 0.000 1.212 463 N CA -0.758 52.194 53.050 -0.164 0.000 0.767 463 N CB 1.361 39.480 38.487 -0.613 0.000 1.494 463 N HN 0.200 nan 8.380 nan 0.000 0.479 464 S N 0.053 115.753 115.700 -0.001 0.000 2.514 464 S HA 0.009 4.493 4.470 0.022 0.000 0.223 464 S C 1.575 176.187 174.600 0.020 0.000 1.046 464 S CA -0.002 58.201 58.200 0.005 0.000 0.914 464 S CB -0.774 62.441 63.200 0.025 0.000 0.807 464 S HN 0.709 nan 8.310 nan 0.000 0.497 465 I N -0.472 120.117 120.570 0.031 0.000 2.830 465 I HA 0.199 4.382 4.170 0.022 0.000 0.263 465 I C 1.392 177.540 176.117 0.053 0.000 1.230 465 I CA 1.369 62.699 61.300 0.049 0.000 1.480 465 I CB -0.351 37.694 38.000 0.075 0.000 1.095 465 I HN 0.179 nan 8.210 nan 0.000 0.455 466 N N 1.018 119.748 118.700 0.049 0.000 2.235 466 N HA 0.025 4.778 4.740 0.022 0.000 0.231 466 N C -0.059 175.560 175.510 0.182 0.000 1.177 466 N CA 0.058 53.181 53.050 0.122 0.000 0.874 466 N CB 0.061 38.638 38.487 0.149 0.000 1.097 466 N HN 0.249 nan 8.380 nan 0.000 0.518 467 D N 0.545 120.993 120.400 0.080 0.000 2.870 467 D HA -0.246 4.407 4.640 0.022 0.000 0.228 467 D C -0.255 175.937 176.300 -0.179 0.000 1.147 467 D CA 0.906 54.914 54.000 0.013 0.000 0.757 467 D CB -1.517 39.361 40.800 0.130 0.000 1.091 467 D HN 0.424 nan 8.370 nan 0.000 0.429 468 N N -1.517 117.109 118.700 -0.122 0.000 2.741 468 N HA -0.242 4.511 4.740 0.022 0.000 0.251 468 N C -0.815 174.614 175.510 -0.135 0.000 1.112 468 N CA 1.420 54.373 53.050 -0.161 0.000 0.750 468 N CB -1.256 37.090 38.487 -0.235 0.000 1.119 468 N HN 0.543 nan 8.380 nan 0.000 0.561 469 W N 0.614 121.967 121.300 0.088 0.000 2.436 469 W HA 0.482 5.155 4.660 0.022 0.000 0.347 469 W C -1.619 174.927 176.519 0.045 0.000 1.136 469 W CA -1.656 55.719 57.345 0.051 0.000 1.286 469 W CB 0.468 29.908 29.460 -0.035 0.000 1.253 469 W HN -0.054 nan 8.180 nan 0.000 0.617 470 P HA 0.135 nan 4.420 nan 0.000 0.272 470 P C -0.658 176.782 177.300 0.232 0.000 1.223 470 P CA -0.011 63.224 63.100 0.225 0.000 0.784 470 P CB 0.842 32.527 31.700 -0.025 0.000 0.923 471 R N 0.944 121.572 120.500 0.214 0.000 2.604 471 R HA 0.298 4.651 4.340 0.022 0.000 0.287 471 R C 0.376 176.718 176.300 0.070 0.000 0.970 471 R CA -0.810 55.300 56.100 0.016 0.000 0.946 471 R CB 1.103 31.223 30.300 -0.300 0.000 1.127 471 R HN 0.499 nan 8.270 nan 0.000 0.473 472 E N 0.689 120.917 120.200 0.046 0.000 2.438 472 E HA 0.010 4.373 4.350 0.022 0.000 0.261 472 E C -0.549 176.077 176.600 0.042 0.000 1.103 472 E CA 0.719 57.152 56.400 0.056 0.000 0.959 472 E CB 0.586 30.310 29.700 0.039 0.000 0.958 472 E HN 0.365 nan 8.360 nan 0.000 0.447 473 T N 3.259 117.846 114.554 0.056 0.000 2.937 473 T HA 0.312 4.676 4.350 0.022 0.000 0.297 473 T C -2.491 172.233 174.700 0.041 0.000 0.991 473 T CA -1.550 60.581 62.100 0.051 0.000 0.990 473 T CB 1.422 70.332 68.868 0.070 0.000 0.991 473 T HN 0.246 nan 8.240 nan 0.000 0.440 474 P HA 0.230 nan 4.420 nan 0.000 0.267 474 P C -2.476 174.830 177.300 0.010 0.000 1.200 474 P CA -1.236 61.872 63.100 0.014 0.000 0.772 474 P CB -0.452 31.251 31.700 0.005 0.000 0.855 475 P HA 0.304 nan 4.420 nan 0.000 0.270 475 P C 0.077 177.365 177.300 -0.021 0.000 1.223 475 P CA 0.378 63.463 63.100 -0.025 0.000 0.785 475 P CB 0.597 32.263 31.700 -0.057 0.000 0.923 476 G N 0.615 109.401 108.800 -0.024 0.000 2.430 476 G HA2 0.365 4.338 3.960 0.022 0.000 0.300 476 G HA3 0.365 4.338 3.960 0.022 0.000 0.300 476 G C -2.593 172.295 174.900 -0.020 0.000 1.330 476 G CA -0.723 44.367 45.100 -0.017 0.000 0.813 476 G HN 0.122 nan 8.290 nan 0.000 0.487 477 P HA 0.093 nan 4.420 nan 0.000 0.218 477 P C 0.006 177.300 177.300 -0.010 0.000 1.149 477 P CA 1.205 64.295 63.100 -0.017 0.000 0.817 477 P CB 0.065 31.758 31.700 -0.012 0.000 0.785 478 K N -2.072 118.329 120.400 0.002 0.000 2.527 478 K HA 0.478 4.811 4.320 0.022 0.000 0.260 478 K C -0.117 176.498 176.600 0.024 0.000 0.937 478 K CA -0.895 55.400 56.287 0.013 0.000 0.826 478 K CB 1.158 33.668 32.500 0.018 0.000 1.359 478 K HN -0.344 nan 8.250 nan 0.000 0.434 479 R N -0.464 120.058 120.500 0.037 0.000 3.627 479 R HA -0.156 4.197 4.340 0.022 0.000 0.281 479 R C 0.150 176.478 176.300 0.046 0.000 1.140 479 R CA 1.134 57.262 56.100 0.047 0.000 0.761 479 R CB -2.269 28.059 30.300 0.046 0.000 1.181 479 R HN 0.979 nan 8.270 nan 0.000 0.472 480 G N -1.007 107.816 108.800 0.038 0.000 2.521 480 G HA2 0.639 4.612 3.960 0.022 0.000 0.323 480 G HA3 0.639 4.612 3.960 0.022 0.000 0.323 480 G C 0.266 175.197 174.900 0.052 0.000 1.211 480 G CA 0.026 45.147 45.100 0.035 0.000 0.979 480 G HN 0.247 nan 8.290 nan 0.000 0.490 481 G N -1.417 107.415 108.800 0.055 0.000 2.539 481 G HA2 0.415 4.388 3.960 0.022 0.000 0.258 481 G HA3 0.415 4.388 3.960 0.022 0.000 0.258 481 G C -0.760 174.193 174.900 0.090 0.000 1.202 481 G CA -0.517 44.636 45.100 0.089 0.000 0.851 481 G HN 0.451 nan 8.290 nan 0.000 0.556 482 F N 0.471 120.433 119.950 0.020 0.000 2.456 482 F HA 0.426 4.967 4.527 0.023 0.000 0.358 482 F C 0.451 176.262 175.800 0.018 0.000 1.095 482 F CA -0.397 57.610 58.000 0.011 0.000 1.216 482 F CB 0.978 39.984 39.000 0.011 0.000 1.125 482 F HN 0.445 nan 8.300 nan 0.000 0.549 483 E N 4.457 124.321 120.200 -0.559 0.000 2.263 483 E HA 0.287 4.650 4.350 0.022 0.000 0.268 483 E C -1.168 175.110 176.600 -0.537 0.000 0.884 483 E CA -0.750 55.468 56.400 -0.304 0.000 0.766 483 E CB 1.565 31.172 29.700 -0.155 0.000 1.196 483 E HN 0.629 nan 8.360 nan 0.000 0.416 484 S N 2.681 118.285 115.700 -0.160 0.000 2.560 484 S HA -0.036 4.447 4.470 0.022 0.000 0.284 484 S C -0.509 174.076 174.600 -0.025 0.000 1.327 484 S CA -0.250 57.941 58.200 -0.016 0.000 1.055 484 S CB 0.052 63.366 63.200 0.189 0.000 0.868 484 S HN 0.466 nan 8.310 nan 0.000 0.506 485 Y N 2.772 123.004 120.300 -0.113 0.000 2.632 485 Y HA -0.003 4.560 4.550 0.022 0.000 0.329 485 Y C 0.886 176.764 175.900 -0.038 0.000 1.174 485 Y CA -0.021 58.022 58.100 -0.095 0.000 1.469 485 Y CB 0.109 38.512 38.460 -0.094 0.000 1.242 485 Y HN 0.590 nan 8.280 nan 0.000 0.540 486 Q N 5.213 124.667 119.800 -0.577 0.000 3.223 486 Q HA -0.014 4.339 4.340 0.022 0.000 0.299 486 Q C -0.102 175.598 176.000 -0.501 0.000 1.385 486 Q CA 0.047 55.593 55.803 -0.428 0.000 0.942 486 Q CB -0.296 28.267 28.738 -0.293 0.000 1.748 486 Q HN 0.656 nan 8.270 nan 0.000 0.523 487 E N 1.454 121.421 120.200 -0.389 0.000 2.413 487 E HA -0.021 4.342 4.350 0.022 0.000 0.263 487 E C -0.234 176.319 176.600 -0.078 0.000 1.015 487 E CA -0.358 55.942 56.400 -0.168 0.000 0.916 487 E CB 0.664 30.404 29.700 0.066 0.000 0.947 487 E HN 0.219 nan 8.360 nan 0.000 0.440 488 R N 2.933 123.414 120.500 -0.031 0.000 2.389 488 R HA 0.236 4.589 4.340 0.022 0.000 0.295 488 R C -1.379 174.939 176.300 0.029 0.000 1.075 488 R CA -0.325 55.772 56.100 -0.004 0.000 1.005 488 R CB 0.788 31.093 30.300 0.009 0.000 0.987 488 R HN 0.309 nan 8.270 nan 0.000 0.452 489 V N 4.497 124.422 119.914 0.018 0.000 2.495 489 V HA 0.454 4.587 4.120 0.022 0.000 0.298 489 V C -0.494 175.610 176.094 0.016 0.000 1.031 489 V CA -0.589 61.726 62.300 0.025 0.000 0.871 489 V CB 1.554 33.390 31.823 0.020 0.000 0.988 489 V HN 0.858 nan 8.190 nan 0.000 0.432 490 E N 2.551 122.761 120.200 0.017 0.000 2.343 490 E HA 0.628 4.991 4.350 0.022 0.000 0.286 490 E C -0.528 176.074 176.600 0.002 0.000 0.915 490 E CA -0.027 56.377 56.400 0.007 0.000 0.784 490 E CB 2.247 31.952 29.700 0.008 0.000 1.251 490 E HN 1.024 nan 8.360 nan 0.000 0.407 491 G N 2.959 111.757 108.800 -0.005 0.000 2.356 491 G HA2 0.024 3.997 3.960 0.022 0.000 0.300 491 G HA3 0.024 3.997 3.960 0.022 0.000 0.300 491 G C -1.414 173.478 174.900 -0.014 0.000 1.331 491 G CA -0.936 44.157 45.100 -0.011 0.000 0.905 491 G HN 0.435 nan 8.290 nan 0.000 0.587 492 N N 0.024 118.713 118.700 -0.019 0.000 2.482 492 N HA 0.319 5.072 4.740 0.022 0.000 0.279 492 N C -0.318 175.177 175.510 -0.025 0.000 1.182 492 N CA -0.414 52.623 53.050 -0.020 0.000 0.969 492 N CB 1.374 39.848 38.487 -0.021 0.000 1.201 492 N HN 0.444 nan 8.380 nan 0.000 0.523 493 K N 1.195 121.581 120.400 -0.025 0.000 2.351 493 K HA 0.160 4.493 4.320 0.022 0.000 0.287 493 K C -0.297 176.280 176.600 -0.037 0.000 1.068 493 K CA -0.085 56.184 56.287 -0.030 0.000 0.998 493 K CB -0.028 32.455 32.500 -0.028 0.000 0.968 493 K HN 0.321 nan 8.250 nan 0.000 0.464 494 V N 0.256 120.143 119.914 -0.045 0.000 2.876 494 V HA 0.474 4.607 4.120 0.022 0.000 0.312 494 V C -0.436 175.617 176.094 -0.068 0.000 1.085 494 V CA -1.351 60.918 62.300 -0.052 0.000 0.945 494 V CB 2.037 33.830 31.823 -0.049 0.000 1.017 494 V HN 0.607 nan 8.190 nan 0.000 0.428 495 R N 2.211 122.667 120.500 -0.075 0.000 2.565 495 R HA 0.567 4.920 4.340 0.022 0.000 0.286 495 R C -0.483 175.766 176.300 -0.085 0.000 1.256 495 R CA -0.088 55.954 56.100 -0.097 0.000 1.238 495 R CB 0.635 30.864 30.300 -0.119 0.000 1.153 495 R HN 0.944 nan 8.270 nan 0.000 0.553 496 E N 1.966 122.114 120.200 -0.087 0.000 2.304 496 E HA 0.213 4.576 4.350 0.022 0.000 0.277 496 E C -1.252 175.283 176.600 -0.108 0.000 0.898 496 E CA -1.008 55.344 56.400 -0.080 0.000 0.764 496 E CB 1.455 31.114 29.700 -0.068 0.000 1.216 496 E HN 0.108 nan 8.360 nan 0.000 0.419 497 R N 1.899 122.343 120.500 -0.094 0.000 2.491 497 R HA 0.201 4.554 4.340 0.022 0.000 0.283 497 R C -0.484 175.710 176.300 -0.177 0.000 1.072 497 R CA 0.155 56.169 56.100 -0.144 0.000 1.048 497 R CB 1.073 31.344 30.300 -0.049 0.000 0.983 497 R HN 0.416 nan 8.270 nan 0.000 0.450 498 S N 4.885 120.378 115.700 -0.345 0.000 2.549 498 S HA 0.096 4.579 4.470 0.022 0.000 0.286 498 S C -1.512 173.059 174.600 -0.049 0.000 1.314 498 S CA -1.227 56.842 58.200 -0.218 0.000 1.062 498 S CB 0.637 63.642 63.200 -0.324 0.000 0.865 498 S HN 0.540 nan 8.310 nan 0.000 0.498 499 P HA -0.084 nan 4.420 nan 0.000 0.220 499 P C 1.443 178.790 177.300 0.080 0.000 1.148 499 P CA 1.074 64.194 63.100 0.033 0.000 0.803 499 P CB -0.172 31.536 31.700 0.013 0.000 0.782 500 S N -2.028 113.754 115.700 0.137 0.000 2.469 500 S HA -0.101 4.383 4.470 0.022 0.000 0.238 500 S C 1.481 176.236 174.600 0.258 0.000 0.998 500 S CA 0.791 59.104 58.200 0.188 0.000 0.957 500 S CB -1.360 61.983 63.200 0.238 0.000 0.764 500 S HN -0.032 nan 8.310 nan 0.000 0.514 501 F N 2.275 122.218 119.950 -0.012 0.000 2.743 501 F HA 0.378 4.918 4.527 0.022 0.000 0.297 501 F C 2.059 177.809 175.800 -0.084 0.000 1.131 501 F CA -0.790 57.203 58.000 -0.012 0.000 1.426 501 F CB -0.725 38.297 39.000 0.036 0.000 1.116 501 F HN 0.338 nan 8.300 nan 0.000 0.583 502 G N 0.667 109.481 108.800 0.024 0.000 3.325 502 G HA2 0.026 3.999 3.960 0.022 0.000 0.242 502 G HA3 0.026 3.999 3.960 0.022 0.000 0.242 502 G C 0.060 174.533 174.900 -0.712 0.000 1.120 502 G CA 0.261 45.200 45.100 -0.268 0.000 1.778 502 G HN 0.075 nan 8.290 nan 0.000 0.610 503 E N -0.046 119.632 120.200 -0.870 0.000 2.274 503 E HA 0.295 4.659 4.350 0.022 0.000 0.269 503 E C -0.926 175.252 176.600 -0.703 0.000 0.891 503 E CA -0.758 55.216 56.400 -0.710 0.000 0.784 503 E CB 1.401 30.947 29.700 -0.257 0.000 1.225 503 E HN 0.207 nan 8.360 nan 0.000 0.412 504 Y N 2.653 122.735 120.300 -0.363 0.000 2.471 504 Y HA 0.220 4.783 4.550 0.022 0.000 0.249 504 Y C 0.629 176.238 175.900 -0.485 0.000 1.116 504 Y CA -0.143 57.653 58.100 -0.508 0.000 1.240 504 Y CB 0.406 38.422 38.460 -0.740 0.000 1.251 504 Y HN 0.407 nan 8.280 nan 0.000 0.527 505 Y N -1.463 118.918 120.300 0.135 0.000 2.430 505 Y HA 0.113 4.676 4.550 0.022 0.000 0.254 505 Y C 2.351 178.313 175.900 0.104 0.000 1.088 505 Y CA 0.032 58.208 58.100 0.127 0.000 1.267 505 Y CB -0.259 38.282 38.460 0.134 0.000 1.204 505 Y HN 0.061 nan 8.280 nan 0.000 0.515 506 S N -0.753 115.081 115.700 0.222 0.000 2.383 506 S HA -0.181 4.302 4.470 0.022 0.000 0.227 506 S C 1.449 176.123 174.600 0.122 0.000 1.026 506 S CA 1.534 59.844 58.200 0.183 0.000 0.981 506 S CB -0.512 62.797 63.200 0.183 0.000 0.818 506 S HN 0.424 nan 8.310 nan 0.000 0.472 507 H N 2.957 121.943 119.070 -0.139 0.000 2.326 507 H HA 0.170 4.739 4.556 0.022 0.000 0.301 507 H C -0.631 174.489 175.328 -0.347 0.000 1.081 507 H CA 1.508 57.308 56.048 -0.414 0.000 1.334 507 H CB -1.720 27.546 29.762 -0.825 0.000 1.385 507 H HN 0.394 nan 8.280 nan 0.000 0.504 508 P HA -0.178 nan 4.420 nan 0.000 0.215 508 P C 1.474 178.967 177.300 0.321 0.000 1.157 508 P CA 1.734 65.004 63.100 0.284 0.000 0.874 508 P CB 0.071 31.957 31.700 0.311 0.000 0.790 509 R N -0.265 120.373 120.500 0.231 0.000 2.092 509 R HA -0.119 4.235 4.340 0.022 0.000 0.231 509 R C 2.168 178.605 176.300 0.228 0.000 1.119 509 R CA 1.113 57.354 56.100 0.235 0.000 0.970 509 R CB -1.031 29.369 30.300 0.165 0.000 0.864 509 R HN 0.082 nan 8.270 nan 0.000 0.440 510 L N 0.456 121.757 121.223 0.129 0.000 2.046 510 L HA -0.115 4.238 4.340 0.022 0.000 0.208 510 L C 1.984 178.920 176.870 0.109 0.000 1.077 510 L CA 1.680 56.560 54.840 0.067 0.000 0.747 510 L CB -0.700 41.327 42.059 -0.054 0.000 0.896 510 L HN 0.223 nan 8.230 nan 0.000 0.432 511 F N -0.443 119.557 119.950 0.083 0.000 2.075 511 F HA -0.268 4.272 4.527 0.022 0.000 0.297 511 F C 2.335 178.152 175.800 0.028 0.000 1.113 511 F CA 2.265 60.301 58.000 0.059 0.000 1.218 511 F CB -0.799 38.292 39.000 0.152 0.000 0.984 511 F HN 0.403 nan 8.300 nan 0.000 0.472 512 W N 1.388 122.689 121.300 0.002 0.000 2.335 512 W HA -0.244 4.429 4.660 0.022 0.000 0.311 512 W C 1.763 178.168 176.519 -0.189 0.000 1.213 512 W CA 1.899 59.187 57.345 -0.096 0.000 1.274 512 W CB -0.766 28.731 29.460 0.061 0.000 1.148 512 W HN 0.101 nan 8.180 nan 0.000 0.498 513 L N 1.208 122.349 121.223 -0.137 0.000 2.376 513 L HA -0.148 4.205 4.340 0.022 0.000 0.219 513 L C 2.321 179.002 176.870 -0.315 0.000 1.133 513 L CA 1.102 55.793 54.840 -0.248 0.000 0.816 513 L CB -0.694 41.350 42.059 -0.025 0.000 0.933 513 L HN -0.142 nan 8.230 nan 0.000 0.449 514 S N -1.399 114.101 115.700 -0.333 0.000 2.558 514 S HA 0.044 4.527 4.470 0.022 0.000 0.217 514 S C 0.724 175.047 174.600 -0.461 0.000 0.975 514 S CA 0.065 58.065 58.200 -0.333 0.000 0.912 514 S CB -0.030 63.008 63.200 -0.270 0.000 0.776 514 S HN 0.305 nan 8.310 nan 0.000 0.526 515 Q N 2.381 121.805 119.800 -0.626 0.000 2.306 515 Q HA 0.249 4.602 4.340 0.022 0.000 0.241 515 Q C 0.674 176.297 176.000 -0.629 0.000 0.948 515 Q CA -0.030 55.365 55.803 -0.681 0.000 0.886 515 Q CB 0.322 28.587 28.738 -0.788 0.000 1.227 515 Q HN 0.439 nan 8.270 nan 0.000 0.457 516 T N -1.660 112.480 114.554 -0.690 0.000 2.766 516 T HA 0.140 4.503 4.350 0.022 0.000 0.295 516 T C -1.717 172.542 174.700 -0.736 0.000 1.024 516 T CA -1.333 60.331 62.100 -0.725 0.000 1.018 516 T CB 0.292 68.513 68.868 -1.078 0.000 1.002 516 T HN 0.229 nan 8.240 nan 0.000 0.532 517 P HA -0.076 nan 4.420 nan 0.000 0.216 517 P C 1.427 178.523 177.300 -0.340 0.000 1.153 517 P CA 1.204 64.093 63.100 -0.352 0.000 0.858 517 P CB -0.278 31.327 31.700 -0.159 0.000 0.789 518 F N -0.044 119.725 119.950 -0.302 0.000 2.234 518 F HA 0.009 4.549 4.527 0.022 0.000 0.299 518 F C 1.871 177.324 175.800 -0.578 0.000 1.087 518 F CA 0.876 58.638 58.000 -0.396 0.000 1.340 518 F CB -1.636 37.136 39.000 -0.381 0.000 1.031 518 F HN -0.094 nan 8.300 nan 0.000 0.500 519 E N 0.568 120.191 120.200 -0.961 0.000 2.085 519 E HA -0.243 4.120 4.350 0.022 0.000 0.194 519 E C 2.251 178.662 176.600 -0.315 0.000 0.994 519 E CA 1.617 57.666 56.400 -0.585 0.000 0.801 519 E CB -0.306 28.992 29.700 -0.671 0.000 0.743 519 E HN 0.625 nan 8.360 nan 0.000 0.453 520 Q N 0.144 119.682 119.800 -0.436 0.000 2.096 520 Q HA -0.230 4.123 4.340 0.022 0.000 0.204 520 Q C 2.268 178.315 176.000 0.079 0.000 0.982 520 Q CA 1.534 57.122 55.803 -0.359 0.000 0.850 520 Q CB -0.140 28.154 28.738 -0.739 0.000 0.901 520 Q HN 0.023 nan 8.270 nan 0.000 0.422 521 R N 0.122 120.638 120.500 0.026 0.000 2.081 521 R HA -0.146 4.207 4.340 0.022 0.000 0.235 521 R C 1.686 178.179 176.300 0.322 0.000 1.131 521 R CA 1.839 58.048 56.100 0.182 0.000 0.960 521 R CB -0.410 29.973 30.300 0.139 0.000 0.856 521 R HN 0.457 nan 8.270 nan 0.000 0.436 522 H N -0.594 118.572 119.070 0.159 0.000 2.387 522 H HA -0.067 4.503 4.556 0.022 0.000 0.299 522 H C 2.044 177.488 175.328 0.194 0.000 1.090 522 H CA 1.402 57.556 56.048 0.177 0.000 1.332 522 H CB -0.020 29.848 29.762 0.178 0.000 1.386 522 H HN 0.202 nan 8.280 nan 0.000 0.516 523 I N 0.119 120.910 120.570 0.368 0.000 2.179 523 I HA -0.248 3.935 4.170 0.022 0.000 0.242 523 I C 2.381 178.795 176.117 0.494 0.000 1.088 523 I CA 0.703 62.254 61.300 0.417 0.000 1.357 523 I CB -0.151 38.182 38.000 0.554 0.000 1.051 523 I HN 0.069 nan 8.210 nan 0.000 0.409 524 V N 0.986 121.176 119.914 0.460 0.000 2.287 524 V HA -0.329 3.804 4.120 0.022 0.000 0.248 524 V C 2.055 178.327 176.094 0.297 0.000 1.053 524 V CA 2.181 64.698 62.300 0.362 0.000 1.027 524 V CB -0.664 31.328 31.823 0.281 0.000 0.646 524 V HN 0.419 nan 8.190 nan 0.000 0.447 525 D N 0.338 120.894 120.400 0.260 0.000 2.144 525 D HA -0.094 4.559 4.640 0.022 0.000 0.199 525 D C 2.167 178.549 176.300 0.136 0.000 0.984 525 D CA 1.481 55.599 54.000 0.197 0.000 0.834 525 D CB -0.650 40.267 40.800 0.194 0.000 0.955 525 D HN 0.473 nan 8.370 nan 0.000 0.465 526 G N 0.088 108.947 108.800 0.099 0.000 2.433 526 G HA2 -0.264 3.710 3.960 0.022 0.000 0.216 526 G HA3 -0.264 3.710 3.960 0.022 0.000 0.216 526 G C 1.453 176.351 174.900 -0.002 0.000 1.186 526 G CA 0.274 45.344 45.100 -0.050 0.000 0.779 526 G HN 0.186 nan 8.290 nan 0.000 0.543 527 F N 1.705 121.690 119.950 0.058 0.000 2.171 527 F HA -0.056 4.484 4.527 0.022 0.000 0.300 527 F C 3.144 178.851 175.800 -0.155 0.000 1.090 527 F CA 1.537 59.504 58.000 -0.055 0.000 1.293 527 F CB -0.251 38.733 39.000 -0.025 0.000 1.013 527 F HN 0.084 nan 8.300 nan 0.000 0.486 528 S N -0.152 115.633 115.700 0.141 0.000 2.368 528 S HA -0.192 4.292 4.470 0.022 0.000 0.224 528 S C 1.862 176.458 174.600 -0.005 0.000 1.029 528 S CA 1.151 59.380 58.200 0.048 0.000 0.988 528 S CB -0.737 62.519 63.200 0.093 0.000 0.838 528 S HN 0.392 nan 8.310 nan 0.000 0.462 529 F N 2.632 122.532 119.950 -0.084 0.000 2.075 529 F HA -0.120 4.420 4.527 0.022 0.000 0.297 529 F C 2.369 178.087 175.800 -0.138 0.000 1.113 529 F CA 1.596 59.533 58.000 -0.104 0.000 1.218 529 F CB -0.335 38.542 39.000 -0.203 0.000 0.984 529 F HN 0.131 nan 8.300 nan 0.000 0.472 530 E N 0.528 120.674 120.200 -0.090 0.000 2.077 530 E HA -0.221 4.142 4.350 0.022 0.000 0.193 530 E C 2.377 178.718 176.600 -0.430 0.000 0.989 530 E CA 1.657 57.953 56.400 -0.172 0.000 0.800 530 E CB -0.516 29.219 29.700 0.059 0.000 0.746 530 E HN 0.483 nan 8.360 nan 0.000 0.452 531 L N 1.296 122.189 121.223 -0.550 0.000 2.201 531 L HA -0.125 4.229 4.340 0.022 0.000 0.212 531 L C 2.711 179.394 176.870 -0.311 0.000 1.105 531 L CA 1.073 55.596 54.840 -0.528 0.000 0.775 531 L CB -0.427 41.353 42.059 -0.464 0.000 0.913 531 L HN 0.155 nan 8.230 nan 0.000 0.440 532 S N -0.799 114.729 115.700 -0.286 0.000 2.474 532 S HA -0.103 4.380 4.470 0.022 0.000 0.235 532 S C 1.730 176.191 174.600 -0.232 0.000 0.997 532 S CA 0.575 58.636 58.200 -0.231 0.000 0.949 532 S CB -0.097 62.967 63.200 -0.226 0.000 0.766 532 S HN 0.247 nan 8.310 nan 0.000 0.517 533 K N 1.270 121.508 120.400 -0.271 0.000 2.444 533 K HA 0.348 4.681 4.320 0.022 0.000 0.193 533 K C -0.072 176.505 176.600 -0.038 0.000 1.024 533 K CA -0.059 56.137 56.287 -0.152 0.000 1.077 533 K CB -0.158 32.267 32.500 -0.126 0.000 0.833 533 K HN 0.324 nan 8.250 nan 0.000 0.517 534 V N 2.190 122.058 119.914 -0.076 0.000 2.427 534 V HA -0.001 4.133 4.120 0.022 0.000 0.268 534 V C 1.742 177.817 176.094 -0.031 0.000 1.046 534 V CA -0.123 62.167 62.300 -0.017 0.000 0.970 534 V CB 1.277 33.058 31.823 -0.070 0.000 1.001 534 V HN -0.123 nan 8.190 nan 0.000 0.476 535 V N 5.197 125.117 119.914 0.011 0.000 2.307 535 V HA -0.090 4.043 4.120 0.022 0.000 0.245 535 V C 1.332 177.412 176.094 -0.022 0.000 1.045 535 V CA 1.335 63.638 62.300 0.006 0.000 1.024 535 V CB -0.517 31.328 31.823 0.037 0.000 0.651 535 V HN 0.772 nan 8.190 nan 0.000 0.449 536 R N 1.098 121.563 120.500 -0.059 0.000 2.291 536 R HA 0.149 4.503 4.340 0.022 0.000 0.333 536 R C -1.619 174.568 176.300 -0.188 0.000 1.082 536 R CA -1.255 54.784 56.100 -0.102 0.000 0.948 536 R CB 0.396 30.561 30.300 -0.225 0.000 1.009 536 R HN 0.289 nan 8.270 nan 0.000 0.460 537 P HA -0.234 nan 4.420 nan 0.000 0.216 537 P C 0.800 178.071 177.300 -0.048 0.000 1.150 537 P CA 1.240 64.314 63.100 -0.045 0.000 0.843 537 P CB -0.049 31.660 31.700 0.015 0.000 0.787 538 Y N -0.829 119.474 120.300 0.004 0.000 2.256 538 Y HA -0.151 4.412 4.550 0.022 0.000 0.288 538 Y C 1.980 177.890 175.900 0.017 0.000 1.155 538 Y CA 0.887 58.992 58.100 0.007 0.000 1.203 538 Y CB -1.840 36.624 38.460 0.007 0.000 0.980 538 Y HN -0.102 nan 8.280 nan 0.000 0.530 539 I N 0.931 121.093 120.570 -0.679 0.000 2.252 539 I HA -0.258 3.925 4.170 0.022 0.000 0.245 539 I C 2.546 178.586 176.117 -0.128 0.000 1.102 539 I CA 1.585 62.664 61.300 -0.368 0.000 1.385 539 I CB -0.451 37.321 38.000 -0.379 0.000 1.064 539 I HN 0.195 nan 8.210 nan 0.000 0.414 540 R N 0.981 121.396 120.500 -0.142 0.000 2.091 540 R HA -0.187 4.167 4.340 0.022 0.000 0.238 540 R C 2.130 178.392 176.300 -0.062 0.000 1.136 540 R CA 1.542 57.574 56.100 -0.113 0.000 0.959 540 R CB -0.476 29.749 30.300 -0.125 0.000 0.856 540 R HN 0.466 nan 8.270 nan 0.000 0.437 541 E N 0.649 120.831 120.200 -0.030 0.000 2.077 541 E HA -0.174 4.189 4.350 0.022 0.000 0.193 541 E C 2.119 178.732 176.600 0.022 0.000 0.989 541 E CA 1.135 57.537 56.400 0.003 0.000 0.800 541 E CB -0.064 29.659 29.700 0.037 0.000 0.746 541 E HN 0.299 nan 8.360 nan 0.000 0.452 542 R N 0.332 120.861 120.500 0.047 0.000 2.148 542 R HA -0.084 4.269 4.340 0.022 0.000 0.227 542 R C 2.321 178.654 176.300 0.056 0.000 1.103 542 R CA 0.844 56.982 56.100 0.064 0.000 0.983 542 R CB -0.137 30.219 30.300 0.094 0.000 0.874 542 R HN 0.055 nan 8.270 nan 0.000 0.451 543 V N 0.047 119.993 119.914 0.053 0.000 2.379 543 V HA -0.165 3.968 4.120 0.022 0.000 0.245 543 V C 2.237 178.336 176.094 0.009 0.000 1.044 543 V CA 1.298 63.652 62.300 0.089 0.000 1.036 543 V CB -0.209 31.703 31.823 0.147 0.000 0.664 543 V HN 0.097 nan 8.190 nan 0.000 0.453 544 V N 0.741 120.631 119.914 -0.039 0.000 2.332 544 V HA -0.332 3.801 4.120 0.022 0.000 0.248 544 V C 2.335 178.400 176.094 -0.048 0.000 1.055 544 V CA 2.571 64.822 62.300 -0.082 0.000 1.038 544 V CB -0.669 31.106 31.823 -0.080 0.000 0.651 544 V HN 0.667 nan 8.190 nan 0.000 0.450 545 D N -0.930 119.471 120.400 0.002 0.000 2.117 545 D HA -0.192 4.461 4.640 0.022 0.000 0.197 545 D C 2.267 178.637 176.300 0.117 0.000 0.987 545 D CA 1.144 55.174 54.000 0.050 0.000 0.829 545 D CB -0.014 40.828 40.800 0.070 0.000 0.961 545 D HN 0.344 nan 8.370 nan 0.000 0.460 546 Q N -0.158 119.682 119.800 0.067 0.000 2.079 546 Q HA -0.074 4.280 4.340 0.022 0.000 0.200 546 Q C 2.578 178.600 176.000 0.037 0.000 0.974 546 Q CA 0.637 56.472 55.803 0.053 0.000 0.840 546 Q CB -0.307 28.490 28.738 0.098 0.000 0.898 546 Q HN 0.455 nan 8.270 nan 0.000 0.430 547 L N 0.200 121.395 121.223 -0.047 0.000 2.131 547 L HA -0.149 4.204 4.340 0.022 0.000 0.210 547 L C 2.343 179.111 176.870 -0.170 0.000 1.092 547 L CA 1.029 55.768 54.840 -0.169 0.000 0.759 547 L CB -0.692 41.162 42.059 -0.342 0.000 0.903 547 L HN 0.108 nan 8.230 nan 0.000 0.435 548 A N -0.832 121.915 122.820 -0.120 0.000 2.121 548 A HA -0.197 4.136 4.320 0.022 0.000 0.218 548 A C 1.678 179.114 177.584 -0.248 0.000 1.154 548 A CA 1.230 53.165 52.037 -0.169 0.000 0.679 548 A CB -0.708 18.197 19.000 -0.157 0.000 0.795 548 A HN 0.451 nan 8.150 nan 0.000 0.458 549 H N -1.432 117.439 119.070 -0.332 0.000 2.539 549 H HA 0.307 4.876 4.556 0.022 0.000 0.267 549 H C 1.477 176.548 175.328 -0.429 0.000 0.982 549 H CA 0.710 56.451 56.048 -0.512 0.000 1.146 549 H CB 0.093 29.157 29.762 -1.163 0.000 1.382 549 H HN 0.503 nan 8.280 nan 0.000 0.577 550 I N -1.235 119.245 120.570 -0.150 0.000 2.899 550 I HA 0.097 4.280 4.170 0.022 0.000 0.257 550 I C -0.132 175.920 176.117 -0.108 0.000 1.115 550 I CA 0.421 61.691 61.300 -0.051 0.000 1.451 550 I CB 0.754 38.756 38.000 0.003 0.000 1.251 550 I HN 0.083 nan 8.210 nan 0.000 0.456 551 D N -0.841 119.425 120.400 -0.222 0.000 2.878 551 D HA 0.179 4.833 4.640 0.022 0.000 0.211 551 D C 0.172 176.308 176.300 -0.273 0.000 1.271 551 D CA -0.397 53.453 54.000 -0.251 0.000 0.845 551 D CB 1.386 41.925 40.800 -0.435 0.000 1.679 551 D HN -0.176 nan 8.370 nan 0.000 0.536 552 L N 2.633 123.755 121.223 -0.169 0.000 2.156 552 L HA -0.017 4.336 4.340 0.022 0.000 0.208 552 L C 1.681 178.473 176.870 -0.130 0.000 1.095 552 L CA 1.676 56.430 54.840 -0.143 0.000 0.770 552 L CB -0.828 41.176 42.059 -0.091 0.000 0.914 552 L HN 0.633 nan 8.230 nan 0.000 0.439 553 T N 0.197 114.698 114.554 -0.089 0.000 2.777 553 T HA -0.185 4.178 4.350 0.022 0.000 0.266 553 T C 1.977 176.610 174.700 -0.112 0.000 1.040 553 T CA 0.937 63.028 62.100 -0.015 0.000 1.141 553 T CB -0.157 68.799 68.868 0.146 0.000 0.868 553 T HN 0.225 nan 8.240 nan 0.000 0.444 554 L N 0.731 121.711 121.223 -0.405 0.000 2.017 554 L HA -0.131 4.222 4.340 0.022 0.000 0.208 554 L C 2.778 179.417 176.870 -0.386 0.000 1.073 554 L CA 1.838 56.286 54.840 -0.654 0.000 0.745 554 L CB -0.713 40.584 42.059 -1.269 0.000 0.894 554 L HN 0.293 nan 8.230 nan 0.000 0.432 555 A N -0.715 121.899 122.820 -0.344 0.000 1.898 555 A HA -0.254 4.079 4.320 0.022 0.000 0.216 555 A C 2.054 179.540 177.584 -0.164 0.000 1.181 555 A CA 1.563 53.446 52.037 -0.256 0.000 0.620 555 A CB -0.479 18.390 19.000 -0.218 0.000 0.819 555 A HN 0.619 nan 8.150 nan 0.000 0.442 556 Q N -0.664 119.062 119.800 -0.124 0.000 2.084 556 Q HA -0.102 4.251 4.340 0.022 0.000 0.202 556 Q C 2.426 178.398 176.000 -0.048 0.000 0.978 556 Q CA 1.389 57.149 55.803 -0.072 0.000 0.844 556 Q CB -0.372 28.338 28.738 -0.046 0.000 0.898 556 Q HN 0.682 nan 8.270 nan 0.000 0.426 557 A N 0.314 123.112 122.820 -0.037 0.000 1.930 557 A HA -0.113 4.220 4.320 0.022 0.000 0.217 557 A C 2.324 179.906 177.584 -0.003 0.000 1.175 557 A CA 1.159 53.200 52.037 0.007 0.000 0.627 557 A CB -0.562 18.473 19.000 0.058 0.000 0.815 557 A HN 0.196 nan 8.150 nan 0.000 0.443 558 V N -0.087 119.797 119.914 -0.051 0.000 2.270 558 V HA -0.229 3.904 4.120 0.022 0.000 0.245 558 V C 3.079 179.140 176.094 -0.056 0.000 1.043 558 V CA 1.872 64.139 62.300 -0.055 0.000 1.014 558 V CB -1.319 30.419 31.823 -0.142 0.000 0.645 558 V HN 0.600 nan 8.190 nan 0.000 0.447 559 A N -0.180 122.596 122.820 -0.074 0.000 1.917 559 A HA -0.322 4.011 4.320 0.022 0.000 0.219 559 A C 2.366 179.931 177.584 -0.032 0.000 1.182 559 A CA 2.446 54.449 52.037 -0.057 0.000 0.633 559 A CB -0.565 18.400 19.000 -0.058 0.000 0.819 559 A HN 0.532 nan 8.150 nan 0.000 0.448 560 K N -0.512 119.877 120.400 -0.020 0.000 2.057 560 K HA -0.170 4.163 4.320 0.022 0.000 0.206 560 K C 1.366 177.969 176.600 0.006 0.000 1.050 560 K CA 1.490 57.775 56.287 -0.003 0.000 0.935 560 K CB -0.254 32.250 32.500 0.007 0.000 0.715 560 K HN 0.440 nan 8.250 nan 0.000 0.439 561 N N 0.921 119.628 118.700 0.012 0.000 2.381 561 N HA -0.107 4.646 4.740 0.022 0.000 0.182 561 N C 1.345 176.856 175.510 0.000 0.000 1.025 561 N CA 0.798 53.861 53.050 0.021 0.000 0.888 561 N CB 0.062 38.573 38.487 0.042 0.000 0.965 561 N HN 0.281 nan 8.380 nan 0.000 0.438 562 L N -0.574 120.639 121.223 -0.018 0.000 2.667 562 L HA 0.238 4.592 4.340 0.022 0.000 0.232 562 L C 0.863 177.719 176.870 -0.024 0.000 1.138 562 L CA -0.165 54.655 54.840 -0.033 0.000 0.921 562 L CB -0.143 41.882 42.059 -0.056 0.000 1.180 562 L HN 0.074 nan 8.230 nan 0.000 0.487 563 G N 1.691 110.483 108.800 -0.013 0.000 2.283 563 G HA2 -0.299 3.674 3.960 0.022 0.000 0.280 563 G HA3 -0.299 3.674 3.960 0.022 0.000 0.280 563 G C 0.040 174.933 174.900 -0.012 0.000 1.029 563 G CA 0.217 45.312 45.100 -0.008 0.000 0.840 563 G HN 0.345 nan 8.290 nan 0.000 0.505 564 I N 0.049 120.607 120.570 -0.019 0.000 2.412 564 I HA 0.434 4.617 4.170 0.022 0.000 0.296 564 I C 0.398 176.503 176.117 -0.020 0.000 0.987 564 I CA -0.768 60.520 61.300 -0.020 0.000 1.180 564 I CB 1.684 39.666 38.000 -0.030 0.000 1.340 564 I HN 0.339 nan 8.210 nan 0.000 0.455 565 E N 7.596 127.786 120.200 -0.017 0.000 2.158 565 E HA 0.445 4.808 4.350 0.022 0.000 0.271 565 E C -1.353 175.233 176.600 -0.023 0.000 0.911 565 E CA -0.712 55.677 56.400 -0.018 0.000 0.767 565 E CB 1.342 31.035 29.700 -0.012 0.000 1.120 565 E HN 0.510 nan 8.360 nan 0.000 0.405 566 L N 3.543 124.748 121.223 -0.031 0.000 2.426 566 L HA 0.178 4.531 4.340 0.022 0.000 0.271 566 L C 1.167 178.018 176.870 -0.030 0.000 1.169 566 L CA -0.390 54.428 54.840 -0.037 0.000 0.836 566 L CB 0.584 42.612 42.059 -0.052 0.000 1.112 566 L HN 0.725 nan 8.230 nan 0.000 0.465 567 T N -2.538 111.999 114.554 -0.029 0.000 2.754 567 T HA 0.075 4.438 4.350 0.022 0.000 0.286 567 T C 0.744 175.425 174.700 -0.032 0.000 0.997 567 T CA -0.663 61.422 62.100 -0.025 0.000 0.982 567 T CB 0.981 69.837 68.868 -0.020 0.000 1.027 567 T HN 0.532 nan 8.240 nan 0.000 0.529 568 D N 0.707 121.091 120.400 -0.027 0.000 2.144 568 D HA -0.056 4.597 4.640 0.022 0.000 0.199 568 D C 1.737 178.015 176.300 -0.038 0.000 0.984 568 D CA 1.633 55.615 54.000 -0.030 0.000 0.834 568 D CB -0.487 40.299 40.800 -0.022 0.000 0.955 568 D HN 0.822 nan 8.370 nan 0.000 0.465 569 D N 0.233 120.610 120.400 -0.037 0.000 2.224 569 D HA -0.126 4.527 4.640 0.022 0.000 0.205 569 D C 1.785 178.039 176.300 -0.076 0.000 0.965 569 D CA 0.633 54.604 54.000 -0.048 0.000 0.852 569 D CB -0.474 40.303 40.800 -0.037 0.000 0.947 569 D HN 0.222 nan 8.370 nan 0.000 0.494 570 Q N -0.056 119.699 119.800 -0.075 0.000 2.123 570 Q HA 0.070 4.423 4.340 0.022 0.000 0.199 570 Q C 2.099 178.027 176.000 -0.121 0.000 0.966 570 Q CA 0.537 56.274 55.803 -0.111 0.000 0.845 570 Q CB -0.055 28.632 28.738 -0.085 0.000 0.907 570 Q HN 0.345 nan 8.270 nan 0.000 0.439 571 L N 0.803 121.975 121.223 -0.085 0.000 2.265 571 L HA -0.135 4.218 4.340 0.022 0.000 0.215 571 L C 1.268 178.090 176.870 -0.080 0.000 1.117 571 L CA 0.567 55.360 54.840 -0.077 0.000 0.782 571 L CB -0.128 41.899 42.059 -0.053 0.000 0.914 571 L HN 0.278 nan 8.230 nan 0.000 0.441 572 N N -0.143 118.507 118.700 -0.083 0.000 2.230 572 N HA 0.212 4.966 4.740 0.022 0.000 0.202 572 N C 0.369 175.817 175.510 -0.104 0.000 1.119 572 N CA 0.007 53.011 53.050 -0.077 0.000 0.851 572 N CB 0.734 39.188 38.487 -0.056 0.000 0.990 572 N HN 0.238 nan 8.380 nan 0.000 0.497 573 I N 1.401 121.874 120.570 -0.162 0.000 2.668 573 I HA -0.094 4.089 4.170 0.022 0.000 0.285 573 I C 1.223 177.242 176.117 -0.163 0.000 1.168 573 I CA 0.527 61.692 61.300 -0.224 0.000 1.424 573 I CB 0.485 38.216 38.000 -0.448 0.000 1.377 573 I HN -0.130 nan 8.210 nan 0.000 0.560 574 T N 8.108 122.594 114.554 -0.114 0.000 2.870 574 T HA 0.219 4.582 4.350 0.022 0.000 0.300 574 T C -2.104 172.558 174.700 -0.063 0.000 0.989 574 T CA -1.305 60.756 62.100 -0.065 0.000 1.139 574 T CB 0.411 69.262 68.868 -0.029 0.000 0.920 574 T HN 0.323 nan 8.240 nan 0.000 0.537 575 P HA 0.250 nan 4.420 nan 0.000 0.269 575 P C -2.478 174.840 177.300 0.029 0.000 1.209 575 P CA -1.331 61.759 63.100 -0.018 0.000 0.776 575 P CB -0.432 31.268 31.700 -0.000 0.000 0.876 576 P HA 0.198 nan 4.420 nan 0.000 0.272 576 P C -2.409 174.946 177.300 0.092 0.000 1.230 576 P CA -1.259 61.912 63.100 0.119 0.000 0.788 576 P CB -0.997 30.819 31.700 0.193 0.000 0.949 577 P HA 0.094 nan 4.420 nan 0.000 0.271 577 P C -0.203 177.147 177.300 0.083 0.000 1.233 577 P CA 0.093 63.239 63.100 0.077 0.000 0.789 577 P CB 0.246 31.990 31.700 0.074 0.000 0.951 578 D N -0.419 120.022 120.400 0.069 0.000 2.362 578 D HA 0.054 4.707 4.640 0.022 0.000 0.238 578 D C -0.097 176.252 176.300 0.081 0.000 1.212 578 D CA 0.158 54.197 54.000 0.063 0.000 0.902 578 D CB 0.283 41.113 40.800 0.051 0.000 1.180 578 D HN -0.016 nan 8.370 nan 0.000 0.445 579 V N 2.158 122.114 119.914 0.071 0.000 2.318 579 V HA 0.078 4.211 4.120 0.022 0.000 0.271 579 V C 0.201 176.385 176.094 0.151 0.000 1.030 579 V CA -0.445 61.929 62.300 0.123 0.000 0.844 579 V CB -0.227 31.590 31.823 -0.009 0.000 1.015 579 V HN 0.607 nan 8.190 nan 0.000 0.460 580 N N 4.413 123.206 118.700 0.155 0.000 2.727 580 N HA -0.223 4.531 4.740 0.022 0.000 0.249 580 N C 1.170 176.725 175.510 0.075 0.000 1.048 580 N CA 0.962 54.078 53.050 0.110 0.000 0.714 580 N CB -0.884 37.700 38.487 0.161 0.000 0.959 580 N HN 1.264 nan 8.380 nan 0.000 0.544 581 G N -2.516 106.321 108.800 0.062 0.000 2.212 581 G HA2 -0.325 3.648 3.960 0.022 0.000 0.266 581 G HA3 -0.325 3.648 3.960 0.022 0.000 0.266 581 G C -0.015 174.911 174.900 0.043 0.000 0.978 581 G CA 0.345 45.472 45.100 0.044 0.000 0.632 581 G HN 0.313 nan 8.290 nan 0.000 0.537 582 L N 0.386 121.639 121.223 0.052 0.000 2.349 582 L HA 0.488 4.842 4.340 0.022 0.000 0.275 582 L C 1.337 178.223 176.870 0.028 0.000 1.115 582 L CA 0.282 55.145 54.840 0.039 0.000 0.820 582 L CB 1.384 43.468 42.059 0.043 0.000 1.135 582 L HN 0.173 nan 8.230 nan 0.000 0.445 583 K N 2.582 122.993 120.400 0.018 0.000 2.358 583 K HA 0.167 4.500 4.320 0.022 0.000 0.200 583 K C -0.398 176.199 176.600 -0.005 0.000 1.030 583 K CA 0.013 56.307 56.287 0.013 0.000 1.097 583 K CB 0.547 33.054 32.500 0.012 0.000 0.862 583 K HN 0.661 nan 8.250 nan 0.000 0.534 584 K N -0.351 120.042 120.400 -0.011 0.000 2.818 584 K HA 0.169 4.502 4.320 0.022 0.000 0.287 584 K C -2.319 174.268 176.600 -0.022 0.000 1.061 584 K CA -0.940 55.324 56.287 -0.037 0.000 0.858 584 K CB 1.019 33.477 32.500 -0.070 0.000 1.456 584 K HN -0.198 nan 8.250 nan 0.000 0.364 585 D N 2.128 122.509 120.400 -0.031 0.000 2.478 585 D HA 0.285 4.938 4.640 0.022 0.000 0.240 585 D C -2.060 174.230 176.300 -0.017 0.000 1.364 585 D CA -2.029 51.973 54.000 0.003 0.000 0.987 585 D CB 2.044 42.870 40.800 0.044 0.000 1.328 585 D HN 0.308 nan 8.370 nan 0.000 0.584 586 P HA -0.104 nan 4.420 nan 0.000 0.225 586 P C 1.253 178.550 177.300 -0.007 0.000 1.148 586 P CA 0.709 63.785 63.100 -0.041 0.000 0.779 586 P CB 0.073 31.756 31.700 -0.028 0.000 0.780 587 S N -0.565 115.165 115.700 0.049 0.000 2.469 587 S HA -0.069 4.414 4.470 0.022 0.000 0.238 587 S C 1.778 176.465 174.600 0.144 0.000 0.998 587 S CA 0.719 58.984 58.200 0.109 0.000 0.957 587 S CB -1.484 61.808 63.200 0.153 0.000 0.764 587 S HN 0.146 nan 8.310 nan 0.000 0.514 588 L N 1.325 122.597 121.223 0.082 0.000 2.492 588 L HA 0.199 4.552 4.340 0.022 0.000 0.223 588 L C 1.464 178.237 176.870 -0.162 0.000 1.132 588 L CA 0.152 55.038 54.840 0.076 0.000 0.850 588 L CB -0.305 41.779 42.059 0.043 0.000 0.966 588 L HN 0.340 nan 8.230 nan 0.000 0.454 589 S N -0.563 115.027 115.700 -0.183 0.000 2.616 589 S HA 0.320 4.804 4.470 0.022 0.000 0.277 589 S C 0.993 175.473 174.600 -0.199 0.000 1.234 589 S CA -0.642 57.388 58.200 -0.282 0.000 1.028 589 S CB 1.542 64.566 63.200 -0.292 0.000 0.988 589 S HN 0.151 nan 8.310 nan 0.000 0.522 590 L N 2.711 123.738 121.223 -0.326 0.000 2.131 590 L HA 0.057 4.410 4.340 0.022 0.000 0.206 590 L C 0.887 177.470 176.870 -0.479 0.000 1.087 590 L CA 1.079 55.629 54.840 -0.483 0.000 0.767 590 L CB -0.236 41.228 42.059 -0.992 0.000 0.917 590 L HN 0.770 nan 8.230 nan 0.000 0.441 591 Y N -2.411 117.877 120.300 -0.020 0.000 2.432 591 Y HA 0.334 4.897 4.550 0.022 0.000 0.252 591 Y C 2.131 178.047 175.900 0.027 0.000 1.097 591 Y CA -0.147 57.989 58.100 0.061 0.000 1.250 591 Y CB -0.485 38.054 38.460 0.131 0.000 1.245 591 Y HN -0.040 nan 8.280 nan 0.000 0.522 592 A N 0.538 123.376 122.820 0.031 0.000 1.940 592 A HA -0.087 4.247 4.320 0.022 0.000 0.219 592 A C 0.876 178.491 177.584 0.051 0.000 1.176 592 A CA 1.260 53.297 52.037 -0.000 0.000 0.631 592 A CB -0.515 18.434 19.000 -0.085 0.000 0.814 592 A HN 0.145 nan 8.150 nan 0.000 0.446 593 I N 1.224 121.830 120.570 0.061 0.000 2.328 593 I HA 0.266 4.450 4.170 0.022 0.000 0.287 593 I C -2.485 173.697 176.117 0.109 0.000 1.012 593 I CA -3.093 58.251 61.300 0.073 0.000 1.195 593 I CB 0.641 38.675 38.000 0.057 0.000 1.350 593 I HN 0.049 nan 8.210 nan 0.000 0.464 594 P HA 0.080 nan 4.420 nan 0.000 0.261 594 P C -0.200 177.172 177.300 0.119 0.000 1.183 594 P CA 0.294 63.479 63.100 0.142 0.000 0.761 594 P CB 0.593 32.365 31.700 0.121 0.000 0.785 595 D N 1.355 121.835 120.400 0.133 0.000 2.785 595 D HA 0.121 4.775 4.640 0.022 0.000 0.324 595 D C 0.479 176.842 176.300 0.105 0.000 1.523 595 D CA -0.463 53.601 54.000 0.105 0.000 0.789 595 D CB -0.373 40.484 40.800 0.096 0.000 1.171 595 D HN 0.307 nan 8.370 nan 0.000 0.447 596 G N 0.144 109.016 108.800 0.119 0.000 2.442 596 G HA2 0.366 4.340 3.960 0.022 0.000 0.249 596 G HA3 0.366 4.340 3.960 0.022 0.000 0.249 596 G C -0.683 174.260 174.900 0.073 0.000 1.263 596 G CA -0.062 45.105 45.100 0.111 0.000 0.846 596 G HN 0.165 nan 8.290 nan 0.000 0.555 597 D N 1.469 121.904 120.400 0.060 0.000 2.616 597 D HA 0.146 4.800 4.640 0.022 0.000 0.238 597 D C 0.671 176.989 176.300 0.029 0.000 1.354 597 D CA -0.629 53.391 54.000 0.034 0.000 0.970 597 D CB 1.934 42.746 40.800 0.021 0.000 1.369 597 D HN 0.054 nan 8.370 nan 0.000 0.585 598 V N 3.837 123.762 119.914 0.017 0.000 2.871 598 V HA -0.020 4.113 4.120 0.022 0.000 0.256 598 V C 1.311 177.390 176.094 -0.026 0.000 1.082 598 V CA 0.825 63.129 62.300 0.006 0.000 1.105 598 V CB -0.356 31.468 31.823 0.001 0.000 0.713 598 V HN 0.457 nan 8.190 nan 0.000 0.473 599 K N 0.263 120.638 120.400 -0.041 0.000 2.472 599 K HA 0.253 4.587 4.320 0.022 0.000 0.280 599 K C 1.119 177.673 176.600 -0.077 0.000 1.028 599 K CA 0.945 57.183 56.287 -0.082 0.000 1.045 599 K CB 0.123 32.583 32.500 -0.067 0.000 0.902 599 K HN 0.379 nan 8.250 nan 0.000 0.478 600 G N 3.252 111.972 108.800 -0.133 0.000 2.195 600 G HA2 -0.210 3.763 3.960 0.022 0.000 0.246 600 G HA3 -0.210 3.763 3.960 0.022 0.000 0.246 600 G C 0.061 175.002 174.900 0.069 0.000 0.984 600 G CA -0.244 44.855 45.100 -0.002 0.000 0.633 600 G HN 0.563 nan 8.290 nan 0.000 0.525 601 R N -0.150 120.364 120.500 0.024 0.000 2.738 601 R HA 0.698 5.051 4.340 0.022 0.000 0.275 601 R C 0.155 176.515 176.300 0.100 0.000 1.121 601 R CA -0.058 56.088 56.100 0.077 0.000 1.207 601 R CB 0.790 31.130 30.300 0.067 0.000 1.141 601 R HN 0.723 nan 8.270 nan 0.000 0.571 602 V N 0.137 120.127 119.914 0.128 0.000 2.925 602 V HA 0.504 4.637 4.120 0.022 0.000 0.311 602 V C -1.191 174.971 176.094 0.113 0.000 1.104 602 V CA -0.731 61.658 62.300 0.149 0.000 0.954 602 V CB 2.561 34.495 31.823 0.184 0.000 1.022 602 V HN 0.350 nan 8.190 nan 0.000 0.427 603 V N 5.236 125.212 119.914 0.102 0.000 2.604 603 V HA 0.823 4.956 4.120 0.022 0.000 0.305 603 V C 0.400 176.548 176.094 0.090 0.000 1.043 603 V CA -0.219 62.130 62.300 0.082 0.000 0.888 603 V CB 1.730 33.588 31.823 0.058 0.000 0.995 603 V HN 1.209 nan 8.190 nan 0.000 0.429 604 A N 5.544 128.420 122.820 0.094 0.000 2.328 604 A HA 0.803 5.136 4.320 0.022 0.000 0.284 604 A C -0.542 177.049 177.584 0.012 0.000 1.160 604 A CA -0.203 51.874 52.037 0.067 0.000 0.818 604 A CB 0.082 19.139 19.000 0.095 0.000 1.087 604 A HN 0.764 nan 8.150 nan 0.000 0.504 605 I N 3.248 123.822 120.570 0.006 0.000 2.382 605 I HA 0.204 4.387 4.170 0.022 0.000 0.286 605 I C -0.546 175.573 176.117 0.004 0.000 1.002 605 I CA -0.147 61.157 61.300 0.008 0.000 1.135 605 I CB 1.497 39.514 38.000 0.029 0.000 1.288 605 I HN 0.496 nan 8.210 nan 0.000 0.448 606 L N 7.330 128.544 121.223 -0.015 0.000 2.342 606 L HA 0.377 4.730 4.340 0.022 0.000 0.285 606 L C 0.025 176.984 176.870 0.149 0.000 1.095 606 L CA -0.275 54.605 54.840 0.066 0.000 0.843 606 L CB -0.037 41.938 42.059 -0.141 0.000 1.201 606 L HN 0.448 nan 8.230 nan 0.000 0.445 607 L N 3.570 124.917 121.223 0.206 0.000 2.475 607 L HA 0.302 4.655 4.340 0.022 0.000 0.253 607 L C 0.189 177.173 176.870 0.191 0.000 1.198 607 L CA -0.392 54.508 54.840 0.100 0.000 0.814 607 L CB 0.873 42.891 42.059 -0.068 0.000 1.134 607 L HN 0.696 nan 8.230 nan 0.000 0.478 608 N N -2.156 116.568 118.700 0.039 0.000 2.629 608 N HA 0.222 4.975 4.740 0.022 0.000 0.279 608 N C -0.429 175.013 175.510 -0.113 0.000 1.344 608 N CA -0.778 52.336 53.050 0.105 0.000 0.789 608 N CB 0.721 39.288 38.487 0.134 0.000 1.508 608 N HN 0.529 nan 8.380 nan 0.000 0.516 609 D N -1.556 118.823 120.400 -0.035 0.000 2.352 609 D HA -0.013 4.640 4.640 0.022 0.000 0.232 609 D C -0.486 175.774 176.300 -0.066 0.000 1.055 609 D CA 0.694 54.635 54.000 -0.098 0.000 0.891 609 D CB -0.133 40.682 40.800 0.025 0.000 0.897 609 D HN 0.613 nan 8.370 nan 0.000 0.529 610 E N 0.492 120.665 120.200 -0.046 0.000 3.711 610 E HA 0.140 4.503 4.350 0.022 0.000 0.267 610 E C -0.972 175.608 176.600 -0.034 0.000 1.198 610 E CA -0.332 56.046 56.400 -0.037 0.000 1.150 610 E CB 1.702 31.391 29.700 -0.018 0.000 1.297 610 E HN -0.024 nan 8.360 nan 0.000 0.399 611 V N 1.622 121.507 119.914 -0.049 0.000 2.673 611 V HA 0.025 4.159 4.120 0.022 0.000 0.303 611 V C 1.057 177.129 176.094 -0.036 0.000 1.046 611 V CA 0.344 62.621 62.300 -0.038 0.000 1.126 611 V CB 0.640 32.436 31.823 -0.046 0.000 0.934 611 V HN 0.372 nan 8.190 nan 0.000 0.487 612 R N 3.588 124.068 120.500 -0.034 0.000 2.402 612 R HA 0.037 4.390 4.340 0.022 0.000 0.331 612 R C 1.529 177.803 176.300 -0.043 0.000 1.040 612 R CA 0.462 56.539 56.100 -0.040 0.000 0.980 612 R CB 0.320 30.592 30.300 -0.047 0.000 0.967 612 R HN 0.986 nan 8.270 nan 0.000 0.440 613 S N 3.302 118.980 115.700 -0.038 0.000 2.419 613 S HA -0.208 4.275 4.470 0.022 0.000 0.233 613 S C 1.919 176.497 174.600 -0.036 0.000 1.016 613 S CA 0.876 59.055 58.200 -0.035 0.000 0.974 613 S CB -0.059 63.124 63.200 -0.029 0.000 0.786 613 S HN 0.698 nan 8.310 nan 0.000 0.492 614 A N 2.076 124.871 122.820 -0.041 0.000 1.969 614 A HA -0.078 4.255 4.320 0.022 0.000 0.218 614 A C 1.948 179.496 177.584 -0.061 0.000 1.169 614 A CA 1.532 53.542 52.037 -0.045 0.000 0.635 614 A CB -0.660 18.312 19.000 -0.047 0.000 0.810 614 A HN 0.442 nan 8.150 nan 0.000 0.445 615 D N -0.118 120.235 120.400 -0.077 0.000 2.084 615 D HA -0.084 4.570 4.640 0.022 0.000 0.196 615 D C 1.964 178.222 176.300 -0.070 0.000 0.985 615 D CA 0.720 54.654 54.000 -0.110 0.000 0.826 615 D CB -0.358 40.360 40.800 -0.137 0.000 0.978 615 D HN 0.342 nan 8.370 nan 0.000 0.456 616 L N 0.478 121.674 121.223 -0.045 0.000 2.042 616 L HA -0.175 4.178 4.340 0.022 0.000 0.210 616 L C 2.427 179.289 176.870 -0.013 0.000 1.076 616 L CA 0.889 55.715 54.840 -0.022 0.000 0.749 616 L CB -0.251 41.795 42.059 -0.021 0.000 0.893 616 L HN 0.109 nan 8.230 nan 0.000 0.432 617 L N -0.933 120.279 121.223 -0.018 0.000 2.046 617 L HA -0.193 4.160 4.340 0.022 0.000 0.208 617 L C 2.842 179.708 176.870 -0.006 0.000 1.077 617 L CA 1.169 56.003 54.840 -0.010 0.000 0.747 617 L CB -0.787 41.264 42.059 -0.013 0.000 0.896 617 L HN 0.250 nan 8.230 nan 0.000 0.432 618 A N 0.478 123.289 122.820 -0.015 0.000 1.883 618 A HA -0.191 4.142 4.320 0.022 0.000 0.217 618 A C 2.213 179.810 177.584 0.021 0.000 1.186 618 A CA 1.617 53.651 52.037 -0.005 0.000 0.624 618 A CB -0.647 18.338 19.000 -0.024 0.000 0.822 618 A HN 0.335 nan 8.150 nan 0.000 0.444 619 I N -0.477 120.105 120.570 0.021 0.000 2.113 619 I HA -0.260 3.924 4.170 0.022 0.000 0.238 619 I C 2.384 178.527 176.117 0.044 0.000 1.070 619 I CA 1.325 62.660 61.300 0.057 0.000 1.332 619 I CB -0.413 37.623 38.000 0.060 0.000 1.044 619 I HN 0.271 nan 8.210 nan 0.000 0.402 620 L N 0.267 121.507 121.223 0.028 0.000 2.083 620 L HA -0.205 4.149 4.340 0.022 0.000 0.209 620 L C 2.577 179.459 176.870 0.021 0.000 1.083 620 L CA 1.313 56.169 54.840 0.026 0.000 0.752 620 L CB -0.595 41.477 42.059 0.022 0.000 0.899 620 L HN 0.180 nan 8.230 nan 0.000 0.433 621 K N 0.082 120.493 120.400 0.017 0.000 2.103 621 K HA -0.091 4.243 4.320 0.022 0.000 0.204 621 K C 2.200 178.808 176.600 0.014 0.000 1.052 621 K CA 1.148 57.443 56.287 0.013 0.000 0.945 621 K CB -0.023 32.483 32.500 0.010 0.000 0.722 621 K HN 0.288 nan 8.250 nan 0.000 0.443 622 A N 1.367 124.200 122.820 0.022 0.000 1.898 622 A HA -0.117 4.216 4.320 0.022 0.000 0.216 622 A C 2.109 179.700 177.584 0.011 0.000 1.181 622 A CA 1.055 53.105 52.037 0.023 0.000 0.620 622 A CB -0.501 18.525 19.000 0.043 0.000 0.819 622 A HN 0.193 nan 8.150 nan 0.000 0.442 623 L N -0.752 120.479 121.223 0.013 0.000 2.017 623 L HA -0.181 4.172 4.340 0.022 0.000 0.208 623 L C 2.700 179.554 176.870 -0.026 0.000 1.073 623 L CA 1.591 56.429 54.840 -0.004 0.000 0.745 623 L CB -0.482 41.583 42.059 0.011 0.000 0.894 623 L HN 0.328 nan 8.230 nan 0.000 0.432 624 K N 0.499 120.893 120.400 -0.012 0.000 2.103 624 K HA -0.184 4.149 4.320 0.022 0.000 0.207 624 K C 2.030 178.615 176.600 -0.024 0.000 1.048 624 K CA 1.578 57.855 56.287 -0.016 0.000 0.930 624 K CB -0.124 32.379 32.500 0.004 0.000 0.716 624 K HN 0.293 nan 8.250 nan 0.000 0.444 625 A N 1.030 123.842 122.820 -0.014 0.000 2.019 625 A HA -0.106 4.228 4.320 0.022 0.000 0.219 625 A C 1.620 179.189 177.584 -0.024 0.000 1.164 625 A CA 1.331 53.360 52.037 -0.014 0.000 0.644 625 A CB -0.043 18.955 19.000 -0.004 0.000 0.805 625 A HN 0.132 nan 8.150 nan 0.000 0.449 626 K N -1.452 118.927 120.400 -0.035 0.000 2.358 626 K HA 0.234 4.567 4.320 0.022 0.000 0.197 626 K C 0.966 177.519 176.600 -0.077 0.000 1.025 626 K CA 0.585 56.846 56.287 -0.043 0.000 1.104 626 K CB -0.021 32.459 32.500 -0.033 0.000 0.855 626 K HN 0.737 nan 8.250 nan 0.000 0.531 627 G N 1.443 110.179 108.800 -0.106 0.000 2.147 627 G HA2 -0.233 3.740 3.960 0.022 0.000 0.244 627 G HA3 -0.233 3.740 3.960 0.022 0.000 0.244 627 G C 0.052 174.743 174.900 -0.348 0.000 1.005 627 G CA 0.233 45.221 45.100 -0.186 0.000 0.713 627 G HN 0.107 nan 8.290 nan 0.000 0.515 628 V N 0.721 120.482 119.914 -0.255 0.000 2.465 628 V HA 0.492 4.626 4.120 0.022 0.000 0.279 628 V C 0.804 176.744 176.094 -0.258 0.000 1.045 628 V CA -0.629 61.520 62.300 -0.252 0.000 0.938 628 V CB 1.066 32.834 31.823 -0.090 0.000 0.986 628 V HN 0.448 nan 8.190 nan 0.000 0.467 629 H N 1.660 120.743 119.070 0.021 0.000 2.495 629 H HA 0.787 5.356 4.556 0.022 0.000 0.350 629 H C 0.181 175.529 175.328 0.033 0.000 1.202 629 H CA 0.023 56.086 56.048 0.024 0.000 1.322 629 H CB 1.362 31.139 29.762 0.025 0.000 1.544 629 H HN 0.853 nan 8.280 nan 0.000 0.565 630 A N 1.002 123.927 122.820 0.175 0.000 2.454 630 A HA 0.559 4.892 4.320 0.022 0.000 0.302 630 A C -1.184 176.455 177.584 0.091 0.000 1.079 630 A CA -0.993 51.109 52.037 0.109 0.000 0.731 630 A CB 1.279 20.323 19.000 0.074 0.000 1.299 630 A HN 0.786 nan 8.150 nan 0.000 0.413 631 K N 2.095 122.542 120.400 0.078 0.000 2.545 631 K HA 0.627 4.960 4.320 0.022 0.000 0.252 631 K C -1.634 174.993 176.600 0.046 0.000 0.948 631 K CA -0.482 55.843 56.287 0.063 0.000 0.827 631 K CB 1.269 33.814 32.500 0.076 0.000 1.128 631 K HN 0.523 nan 8.250 nan 0.000 0.429 632 L N 4.590 125.831 121.223 0.031 0.000 2.325 632 L HA 0.237 4.590 4.340 0.022 0.000 0.284 632 L C -0.620 176.259 176.870 0.015 0.000 1.089 632 L CA -0.834 54.017 54.840 0.018 0.000 0.836 632 L CB 0.130 42.191 42.059 0.004 0.000 1.184 632 L HN 0.523 nan 8.230 nan 0.000 0.444 633 L N 4.555 125.794 121.223 0.027 0.000 2.334 633 L HA 0.595 4.948 4.340 0.022 0.000 0.272 633 L C -0.430 176.427 176.870 -0.022 0.000 1.020 633 L CA -0.249 54.587 54.840 -0.006 0.000 0.812 633 L CB 1.533 43.613 42.059 0.035 0.000 1.264 633 L HN 0.304 nan 8.230 nan 0.000 0.439 634 Y N -0.845 119.121 120.300 -0.556 0.000 2.840 634 Y HA 0.271 4.834 4.550 0.022 0.000 0.324 634 Y C 0.870 176.028 175.900 -1.238 0.000 1.378 634 Y CA -0.770 56.882 58.100 -0.747 0.000 1.077 634 Y CB 1.434 39.725 38.460 -0.281 0.000 1.361 634 Y HN 0.564 nan 8.280 nan 0.000 0.459 635 S N 0.860 115.615 115.700 -1.576 0.000 2.603 635 S HA 0.216 4.699 4.470 0.022 0.000 0.220 635 S C 0.111 174.372 174.600 -0.565 0.000 0.967 635 S CA 0.463 58.097 58.200 -0.943 0.000 0.920 635 S CB -0.278 62.547 63.200 -0.624 0.000 0.773 635 S HN 0.627 nan 8.310 nan 0.000 0.529 636 R N -1.473 118.757 120.500 -0.450 0.000 2.752 636 R HA 0.608 4.961 4.340 0.022 0.000 0.271 636 R C -0.936 175.339 176.300 -0.043 0.000 1.026 636 R CA -1.104 54.894 56.100 -0.171 0.000 0.901 636 R CB 0.482 30.728 30.300 -0.091 0.000 1.243 636 R HN -0.060 nan 8.270 nan 0.000 0.463 637 M N 0.078 119.666 119.600 -0.020 0.000 2.154 637 M HA 0.517 5.010 4.480 0.022 0.000 0.251 637 M C 1.060 177.378 176.300 0.030 0.000 1.200 637 M CA 0.906 56.209 55.300 0.004 0.000 0.967 637 M CB 0.490 33.084 32.600 -0.010 0.000 1.362 637 M HN 1.049 nan 8.290 nan 0.000 0.522 638 G N 0.694 109.505 108.800 0.018 0.000 2.662 638 G HA2 -0.127 3.846 3.960 0.022 0.000 0.236 638 G HA3 -0.127 3.846 3.960 0.022 0.000 0.236 638 G C -0.668 174.236 174.900 0.007 0.000 1.212 638 G CA 0.146 45.254 45.100 0.015 0.000 0.968 638 G HN 0.981 nan 8.290 nan 0.000 0.576 639 E N -1.197 119.004 120.200 0.001 0.000 2.433 639 E HA 0.668 5.031 4.350 0.022 0.000 0.278 639 E C -0.602 175.960 176.600 -0.063 0.000 0.976 639 E CA -0.560 55.821 56.400 -0.031 0.000 0.793 639 E CB 2.369 32.053 29.700 -0.027 0.000 1.311 639 E HN 1.720 nan 8.360 nan 0.000 0.460 640 V N -1.930 117.911 119.914 -0.122 0.000 3.001 640 V HA 0.725 4.858 4.120 0.022 0.000 0.314 640 V C -0.523 175.502 176.094 -0.114 0.000 1.099 640 V CA -0.695 61.503 62.300 -0.169 0.000 0.989 640 V CB 1.711 33.315 31.823 -0.365 0.000 1.040 640 V HN 0.749 nan 8.190 nan 0.000 0.434 641 T N 2.645 117.143 114.554 -0.093 0.000 2.770 641 T HA 0.771 5.134 4.350 0.022 0.000 0.283 641 T C 0.364 175.025 174.700 -0.064 0.000 0.988 641 T CA 0.296 62.358 62.100 -0.064 0.000 0.957 641 T CB 1.268 70.111 68.868 -0.042 0.000 0.930 641 T HN 1.361 nan 8.240 nan 0.000 0.443 642 A N 2.504 125.290 122.820 -0.056 0.000 2.346 642 A HA 0.292 4.625 4.320 0.022 0.000 0.255 642 A C 1.640 179.202 177.584 -0.038 0.000 1.113 642 A CA -0.215 51.793 52.037 -0.050 0.000 0.798 642 A CB 0.019 18.993 19.000 -0.042 0.000 1.073 642 A HN 0.916 nan 8.150 nan 0.000 0.502 643 D N -0.118 120.262 120.400 -0.033 0.000 2.228 643 D HA -0.197 4.456 4.640 0.022 0.000 0.203 643 D C 0.525 176.811 176.300 -0.024 0.000 0.988 643 D CA 1.641 55.625 54.000 -0.027 0.000 0.864 643 D CB -0.305 40.479 40.800 -0.026 0.000 0.928 643 D HN 0.596 nan 8.370 nan 0.000 0.469 644 D N -1.710 118.676 120.400 -0.024 0.000 2.388 644 D HA 0.248 4.901 4.640 0.022 0.000 0.221 644 D C 1.559 177.847 176.300 -0.019 0.000 1.133 644 D CA 0.173 54.161 54.000 -0.020 0.000 0.831 644 D CB -0.041 40.747 40.800 -0.020 0.000 0.962 644 D HN 0.356 nan 8.370 nan 0.000 0.502 645 G N 0.049 108.836 108.800 -0.022 0.000 2.199 645 G HA2 -0.277 3.696 3.960 0.022 0.000 0.254 645 G HA3 -0.277 3.696 3.960 0.022 0.000 0.254 645 G C 0.454 175.341 174.900 -0.022 0.000 0.982 645 G CA 0.247 45.335 45.100 -0.020 0.000 0.632 645 G HN 0.438 nan 8.290 nan 0.000 0.529 646 T N 1.505 116.044 114.554 -0.024 0.000 2.867 646 T HA 0.404 4.767 4.350 0.022 0.000 0.297 646 T C 0.643 175.325 174.700 -0.031 0.000 0.989 646 T CA 0.092 62.178 62.100 -0.024 0.000 1.159 646 T CB 2.109 70.963 68.868 -0.024 0.000 0.928 646 T HN 0.445 nan 8.240 nan 0.000 0.538 647 V N 5.493 125.391 119.914 -0.027 0.000 2.432 647 V HA 0.200 4.334 4.120 0.022 0.000 0.271 647 V C -0.113 175.961 176.094 -0.033 0.000 1.046 647 V CA -0.634 61.648 62.300 -0.031 0.000 0.945 647 V CB 0.762 32.572 31.823 -0.022 0.000 0.992 647 V HN 0.554 nan 8.190 nan 0.000 0.471 648 L N 9.332 130.526 121.223 -0.048 0.000 2.280 648 L HA 0.532 4.886 4.340 0.022 0.000 0.287 648 L C -2.107 174.734 176.870 -0.048 0.000 1.023 648 L CA -2.375 52.435 54.840 -0.049 0.000 0.819 648 L CB 1.677 43.694 42.059 -0.071 0.000 1.212 648 L HN 0.422 nan 8.230 nan 0.000 0.420 649 P HA 0.260 nan 4.420 nan 0.000 0.280 649 P C -0.420 176.868 177.300 -0.019 0.000 1.244 649 P CA -0.254 62.834 63.100 -0.020 0.000 0.784 649 P CB 1.105 32.799 31.700 -0.009 0.000 0.913 650 I N 2.607 123.169 120.570 -0.014 0.000 2.342 650 I HA 0.186 4.370 4.170 0.022 0.000 0.291 650 I C 1.647 177.763 176.117 -0.001 0.000 1.010 650 I CA -0.423 60.873 61.300 -0.007 0.000 1.308 650 I CB 1.410 39.416 38.000 0.010 0.000 1.400 650 I HN 0.366 nan 8.210 nan 0.000 0.488 651 A N 5.388 128.209 122.820 0.002 0.000 1.897 651 A HA 0.478 4.811 4.320 0.022 0.000 0.215 651 A C 1.017 178.605 177.584 0.006 0.000 1.181 651 A CA 1.382 53.424 52.037 0.009 0.000 0.620 651 A CB -0.008 19.004 19.000 0.021 0.000 0.821 651 A HN 0.818 nan 8.150 nan 0.000 0.443 652 A N -2.292 120.526 122.820 -0.004 0.000 2.586 652 A HA 0.575 4.908 4.320 0.022 0.000 0.290 652 A C 0.003 177.546 177.584 -0.068 0.000 1.086 652 A CA 0.063 52.093 52.037 -0.012 0.000 0.665 652 A CB -0.233 18.784 19.000 0.027 0.000 1.279 652 A HN 0.727 nan 8.150 nan 0.000 0.423 653 T N -1.523 112.977 114.554 -0.091 0.000 2.788 653 T HA 0.527 4.891 4.350 0.022 0.000 0.280 653 T C 0.827 175.462 174.700 -0.108 0.000 0.984 653 T CA 0.055 62.022 62.100 -0.222 0.000 0.972 653 T CB -0.034 68.728 68.868 -0.177 0.000 1.039 653 T HN 0.476 nan 8.240 nan 0.000 0.530 654 F N 0.591 120.568 119.950 0.045 0.000 2.095 654 F HA 0.065 4.605 4.527 0.022 0.000 0.298 654 F C 2.918 178.844 175.800 0.209 0.000 1.104 654 F CA 1.165 59.246 58.000 0.134 0.000 1.232 654 F CB -1.575 37.490 39.000 0.108 0.000 0.987 654 F HN 0.724 nan 8.300 nan 0.000 0.475 655 A N 0.189 123.167 122.820 0.263 0.000 1.968 655 A HA 0.088 4.421 4.320 0.022 0.000 0.217 655 A C 2.553 180.201 177.584 0.108 0.000 1.169 655 A CA 1.456 53.590 52.037 0.162 0.000 0.638 655 A CB -1.498 17.556 19.000 0.089 0.000 0.812 655 A HN 0.399 nan 8.150 nan 0.000 0.446 656 G N -0.854 107.995 108.800 0.082 0.000 2.421 656 G HA2 0.268 4.242 3.960 0.022 0.000 0.217 656 G HA3 0.268 4.242 3.960 0.022 0.000 0.217 656 G C 0.689 175.635 174.900 0.076 0.000 1.143 656 G CA 0.951 46.083 45.100 0.054 0.000 0.784 656 G HN 1.045 nan 8.290 nan 0.000 0.541 657 A N 0.949 123.848 122.820 0.132 0.000 2.978 657 A HA 0.698 5.031 4.320 0.022 0.000 0.341 657 A C -2.580 175.142 177.584 0.231 0.000 1.105 657 A CA -1.214 50.915 52.037 0.153 0.000 0.819 657 A CB 1.119 20.208 19.000 0.148 0.000 1.080 657 A HN 0.103 nan 8.150 nan 0.000 0.476 658 P HA -0.009 nan 4.420 nan 0.000 0.270 658 P C 1.390 178.549 177.300 -0.235 0.000 1.227 658 P CA 0.473 63.529 63.100 -0.075 0.000 0.788 658 P CB 0.677 32.309 31.700 -0.113 0.000 0.926 659 S N 0.805 115.988 115.700 -0.861 0.000 2.440 659 S HA -0.161 4.322 4.470 0.022 0.000 0.238 659 S C 1.738 176.197 174.600 -0.235 0.000 1.010 659 S CA 1.116 58.952 58.200 -0.607 0.000 0.972 659 S CB -1.313 61.427 63.200 -0.766 0.000 0.774 659 S HN 0.349 nan 8.310 nan 0.000 0.501 660 L N 1.732 122.817 121.223 -0.230 0.000 2.127 660 L HA -0.080 4.273 4.340 0.022 0.000 0.211 660 L C 2.957 179.646 176.870 -0.302 0.000 1.089 660 L CA 1.634 56.336 54.840 -0.231 0.000 0.757 660 L CB -1.468 40.434 42.059 -0.260 0.000 0.899 660 L HN 0.615 nan 8.230 nan 0.000 0.434 661 T N -2.907 111.532 114.554 -0.192 0.000 3.148 661 T HA 0.193 4.556 4.350 0.022 0.000 0.253 661 T C 0.394 175.178 174.700 0.141 0.000 1.134 661 T CA 0.164 62.224 62.100 -0.067 0.000 1.051 661 T CB -0.499 68.442 68.868 0.122 0.000 0.959 661 T HN 0.168 nan 8.240 nan 0.000 0.525 662 V N -2.722 117.238 119.914 0.076 0.000 3.126 662 V HA 0.566 4.699 4.120 0.022 0.000 0.314 662 V C -0.162 175.979 176.094 0.077 0.000 1.138 662 V CA -1.004 61.372 62.300 0.127 0.000 1.034 662 V CB 2.160 34.073 31.823 0.150 0.000 1.075 662 V HN 0.026 nan 8.190 nan 0.000 0.442 663 D N 0.953 121.402 120.400 0.082 0.000 2.367 663 D HA 0.503 5.156 4.640 0.022 0.000 0.207 663 D C 0.554 176.843 176.300 -0.019 0.000 1.034 663 D CA 1.428 55.448 54.000 0.034 0.000 0.861 663 D CB 1.516 42.360 40.800 0.073 0.000 0.943 663 D HN 0.997 nan 8.370 nan 0.000 0.515 664 A N 0.123 122.950 122.820 0.011 0.000 2.586 664 A HA 0.509 4.842 4.320 0.022 0.000 0.291 664 A C -1.714 175.891 177.584 0.035 0.000 1.062 664 A CA -0.566 51.465 52.037 -0.009 0.000 0.666 664 A CB 1.379 20.361 19.000 -0.031 0.000 1.281 664 A HN -0.096 nan 8.150 nan 0.000 0.421 665 V N 1.063 120.990 119.914 0.020 0.000 2.577 665 V HA 0.585 4.718 4.120 0.022 0.000 0.303 665 V C -0.755 175.347 176.094 0.012 0.000 1.042 665 V CA -0.187 62.133 62.300 0.034 0.000 0.872 665 V CB 1.511 33.369 31.823 0.058 0.000 0.998 665 V HN 0.693 nan 8.190 nan 0.000 0.423 666 I N 4.364 124.949 120.570 0.025 0.000 2.465 666 I HA 0.577 4.761 4.170 0.022 0.000 0.291 666 I C -0.861 175.289 176.117 0.055 0.000 1.014 666 I CA -0.985 60.358 61.300 0.073 0.000 1.093 666 I CB 2.314 40.388 38.000 0.123 0.000 1.267 666 I HN 0.270 nan 8.210 nan 0.000 0.431 667 V N 7.328 127.296 119.914 0.090 0.000 2.349 667 V HA 0.351 4.484 4.120 0.022 0.000 0.284 667 V C -2.179 173.979 176.094 0.107 0.000 1.014 667 V CA -1.571 60.776 62.300 0.078 0.000 0.826 667 V CB 1.250 33.118 31.823 0.075 0.000 1.009 667 V HN 0.554 nan 8.190 nan 0.000 0.431 668 P HA 0.223 nan 4.420 nan 0.000 0.276 668 P C 0.137 177.447 177.300 0.016 0.000 1.252 668 P CA -0.369 62.737 63.100 0.010 0.000 0.802 668 P CB 1.103 32.799 31.700 -0.007 0.000 1.035 669 C N 0.508 119.791 119.300 -0.027 0.000 2.639 669 C HA 0.681 5.154 4.460 0.022 0.000 0.360 669 C C 1.242 176.225 174.990 -0.012 0.000 1.351 669 C CA 1.677 60.684 59.018 -0.019 0.000 2.408 669 C CB -0.907 26.802 27.740 -0.050 0.000 2.517 669 C HN 0.904 nan 8.230 nan 0.000 0.696 670 G N 1.590 110.384 108.800 -0.009 0.000 2.439 670 G HA2 0.043 4.016 3.960 0.022 0.000 0.186 670 G HA3 0.043 4.016 3.960 0.022 0.000 0.186 670 G C -0.869 174.030 174.900 -0.002 0.000 1.260 670 G CA -0.132 44.963 45.100 -0.008 0.000 1.020 670 G HN 0.953 nan 8.290 nan 0.000 0.470 671 N N 1.456 120.161 118.700 0.008 0.000 2.663 671 N HA 0.181 4.934 4.740 0.022 0.000 0.250 671 N C 1.139 176.667 175.510 0.030 0.000 1.129 671 N CA -0.664 52.394 53.050 0.013 0.000 0.995 671 N CB 0.029 38.526 38.487 0.018 0.000 1.324 671 N HN 0.332 nan 8.380 nan 0.000 0.512 672 I N 2.200 122.773 120.570 0.005 0.000 2.493 672 I HA -0.174 4.009 4.170 0.022 0.000 0.254 672 I C 2.350 178.450 176.117 -0.028 0.000 1.160 672 I CA 0.661 61.956 61.300 -0.009 0.000 1.445 672 I CB -1.346 36.601 38.000 -0.087 0.000 1.086 672 I HN 0.500 nan 8.210 nan 0.000 0.433 673 A N 0.631 123.436 122.820 -0.026 0.000 2.070 673 A HA -0.250 4.084 4.320 0.022 0.000 0.220 673 A C 2.040 179.638 177.584 0.024 0.000 1.159 673 A CA 1.795 53.819 52.037 -0.022 0.000 0.656 673 A CB -0.629 18.358 19.000 -0.022 0.000 0.800 673 A HN 0.407 nan 8.150 nan 0.000 0.453 674 D N 0.540 120.979 120.400 0.064 0.000 2.123 674 D HA -0.152 4.501 4.640 0.022 0.000 0.196 674 D C 1.544 177.932 176.300 0.147 0.000 0.992 674 D CA 1.787 55.856 54.000 0.115 0.000 0.833 674 D CB -0.175 40.721 40.800 0.160 0.000 0.954 674 D HN 0.632 nan 8.370 nan 0.000 0.455 675 I N -3.853 116.819 120.570 0.170 0.000 4.082 675 I HA 0.482 4.665 4.170 0.022 0.000 0.337 675 I C 1.840 178.075 176.117 0.197 0.000 1.352 675 I CA -0.080 61.347 61.300 0.212 0.000 1.097 675 I CB 0.140 38.320 38.000 0.299 0.000 1.048 675 I HN -0.094 nan 8.210 nan 0.000 0.393 676 A N 1.631 124.486 122.820 0.058 0.000 1.986 676 A HA -0.185 4.148 4.320 0.022 0.000 0.220 676 A C 1.501 179.099 177.584 0.022 0.000 1.171 676 A CA 2.119 54.100 52.037 -0.092 0.000 0.640 676 A CB -0.435 18.458 19.000 -0.179 0.000 0.811 676 A HN 0.506 nan 8.150 nan 0.000 0.451 677 D N -0.925 119.502 120.400 0.045 0.000 2.440 677 D HA 0.054 4.707 4.640 0.022 0.000 0.216 677 D C -0.091 176.246 176.300 0.061 0.000 1.150 677 D CA -0.222 53.805 54.000 0.044 0.000 0.832 677 D CB -0.171 40.641 40.800 0.020 0.000 0.992 677 D HN 0.356 nan 8.370 nan 0.000 0.502 678 N N 0.913 119.665 118.700 0.086 0.000 2.442 678 N HA 0.044 4.797 4.740 0.022 0.000 0.265 678 N C 1.378 176.922 175.510 0.056 0.000 1.138 678 N CA 0.082 53.178 53.050 0.077 0.000 0.956 678 N CB 1.526 40.081 38.487 0.113 0.000 1.067 678 N HN 0.014 nan 8.380 nan 0.000 0.474 679 G N 3.347 112.180 108.800 0.056 0.000 2.446 679 G HA2 -0.275 3.699 3.960 0.022 0.000 0.217 679 G HA3 -0.275 3.699 3.960 0.022 0.000 0.217 679 G C 0.948 175.890 174.900 0.070 0.000 1.168 679 G CA 0.599 45.731 45.100 0.053 0.000 0.771 679 G HN 0.619 nan 8.290 nan 0.000 0.551 680 D N 0.857 121.309 120.400 0.085 0.000 2.117 680 D HA -0.026 4.627 4.640 0.022 0.000 0.197 680 D C 2.814 179.096 176.300 -0.030 0.000 0.987 680 D CA 1.250 55.330 54.000 0.133 0.000 0.829 680 D CB -0.463 40.489 40.800 0.253 0.000 0.961 680 D HN 0.304 nan 8.370 nan 0.000 0.460 681 A N 0.923 123.556 122.820 -0.312 0.000 1.902 681 A HA -0.187 4.146 4.320 0.022 0.000 0.217 681 A C 2.028 179.373 177.584 -0.399 0.000 1.181 681 A CA 1.293 52.886 52.037 -0.740 0.000 0.623 681 A CB -0.483 18.051 19.000 -0.776 0.000 0.818 681 A HN 0.175 nan 8.150 nan 0.000 0.443 682 N N -1.527 117.081 118.700 -0.154 0.000 2.084 682 N HA -0.183 4.570 4.740 0.022 0.000 0.190 682 N C 1.743 177.217 175.510 -0.061 0.000 1.030 682 N CA 1.788 54.793 53.050 -0.074 0.000 0.849 682 N CB -0.452 38.080 38.487 0.075 0.000 1.012 682 N HN 0.602 nan 8.380 nan 0.000 0.423 683 Y N 1.122 121.372 120.300 -0.082 0.000 2.165 683 Y HA -0.274 4.290 4.550 0.022 0.000 0.286 683 Y C 2.314 178.157 175.900 -0.095 0.000 1.155 683 Y CA 1.306 59.359 58.100 -0.078 0.000 1.164 683 Y CB -0.706 37.718 38.460 -0.059 0.000 0.978 683 Y HN 0.067 nan 8.280 nan 0.000 0.513 684 Y N 0.121 120.292 120.300 -0.215 0.000 2.102 684 Y HA -0.354 4.209 4.550 0.022 0.000 0.280 684 Y C 2.289 177.987 175.900 -0.337 0.000 1.178 684 Y CA 2.309 60.252 58.100 -0.262 0.000 1.146 684 Y CB -0.571 37.733 38.460 -0.260 0.000 0.968 684 Y HN 0.137 nan 8.280 nan 0.000 0.504 685 L N -1.211 119.935 121.223 -0.129 0.000 2.093 685 L HA -0.256 4.097 4.340 0.022 0.000 0.208 685 L C 2.396 179.141 176.870 -0.209 0.000 1.085 685 L CA 1.391 56.130 54.840 -0.168 0.000 0.755 685 L CB -0.491 41.412 42.059 -0.260 0.000 0.904 685 L HN 0.325 nan 8.230 nan 0.000 0.435 686 M N -0.556 118.861 119.600 -0.305 0.000 2.117 686 M HA -0.228 4.265 4.480 0.022 0.000 0.262 686 M C 2.245 178.282 176.300 -0.439 0.000 1.065 686 M CA 1.717 56.831 55.300 -0.311 0.000 1.114 686 M CB -0.313 32.097 32.600 -0.317 0.000 1.361 686 M HN 0.200 nan 8.290 nan 0.000 0.408 687 E N 0.481 120.232 120.200 -0.748 0.000 2.047 687 E HA -0.187 4.176 4.350 0.022 0.000 0.191 687 E C 1.980 178.209 176.600 -0.618 0.000 0.987 687 E CA 1.321 57.244 56.400 -0.796 0.000 0.799 687 E CB -0.011 29.191 29.700 -0.830 0.000 0.752 687 E HN 0.472 nan 8.360 nan 0.000 0.449 688 A N 0.177 122.756 122.820 -0.401 0.000 1.933 688 A HA -0.195 4.138 4.320 0.022 0.000 0.218 688 A C 2.018 179.498 177.584 -0.173 0.000 1.175 688 A CA 1.393 53.293 52.037 -0.229 0.000 0.628 688 A CB -0.842 18.082 19.000 -0.127 0.000 0.814 688 A HN 0.573 nan 8.150 nan 0.000 0.444 689 Y N 0.535 120.676 120.300 -0.264 0.000 2.163 689 Y HA -0.173 4.390 4.550 0.022 0.000 0.288 689 Y C 2.381 178.158 175.900 -0.204 0.000 1.136 689 Y CA 2.259 60.235 58.100 -0.207 0.000 1.147 689 Y CB -0.193 38.160 38.460 -0.178 0.000 0.987 689 Y HN 0.316 nan 8.280 nan 0.000 0.509 690 K N -0.533 119.748 120.400 -0.198 0.000 2.103 690 K HA -0.226 4.108 4.320 0.022 0.000 0.207 690 K C 1.018 177.515 176.600 -0.173 0.000 1.048 690 K CA 2.029 58.179 56.287 -0.228 0.000 0.930 690 K CB -0.483 31.848 32.500 -0.282 0.000 0.716 690 K HN 0.575 nan 8.250 nan 0.000 0.444 691 H N 0.685 119.636 119.070 -0.198 0.000 2.566 691 H HA 0.159 4.729 4.556 0.022 0.000 0.280 691 H C 0.039 175.209 175.328 -0.264 0.000 1.042 691 H CA 0.160 56.089 56.048 -0.199 0.000 1.168 691 H CB -0.023 29.619 29.762 -0.200 0.000 1.340 691 H HN 0.146 nan 8.280 nan 0.000 0.597 692 L N -0.230 120.849 121.223 -0.240 0.000 4.232 692 L HA -0.302 4.051 4.340 0.022 0.000 0.415 692 L C -0.164 176.451 176.870 -0.425 0.000 1.168 692 L CA 0.644 55.250 54.840 -0.391 0.000 0.966 692 L CB -1.768 40.037 42.059 -0.422 0.000 2.052 692 L HN 0.326 nan 8.230 nan 0.000 0.887 693 K N 0.898 121.112 120.400 -0.311 0.000 2.237 693 K HA 0.390 4.723 4.320 0.022 0.000 0.270 693 K C -2.081 174.384 176.600 -0.225 0.000 1.015 693 K CA -1.663 54.461 56.287 -0.272 0.000 0.949 693 K CB 0.457 32.853 32.500 -0.173 0.000 0.976 693 K HN -0.172 nan 8.250 nan 0.000 0.472 694 P HA 0.104 nan 4.420 nan 0.000 0.271 694 P C -0.759 176.479 177.300 -0.103 0.000 1.216 694 P CA 0.247 63.251 63.100 -0.161 0.000 0.771 694 P CB 0.463 32.067 31.700 -0.161 0.000 0.864 695 I N 1.843 122.367 120.570 -0.077 0.000 2.509 695 I HA 0.654 4.837 4.170 0.022 0.000 0.293 695 I C -0.241 175.835 176.117 -0.068 0.000 1.020 695 I CA -0.882 60.391 61.300 -0.044 0.000 1.088 695 I CB 2.203 40.204 38.000 0.001 0.000 1.267 695 I HN 0.263 nan 8.210 nan 0.000 0.430 696 A N 7.408 130.198 122.820 -0.050 0.000 2.343 696 A HA 0.854 5.188 4.320 0.022 0.000 0.308 696 A C -1.128 176.553 177.584 0.161 0.000 1.092 696 A CA -0.433 51.553 52.037 -0.084 0.000 0.751 696 A CB 0.999 19.841 19.000 -0.263 0.000 1.203 696 A HN 0.661 nan 8.150 nan 0.000 0.452 697 L N 2.359 123.725 121.223 0.238 0.000 2.343 697 L HA 0.701 5.055 4.340 0.022 0.000 0.278 697 L C 0.304 177.386 176.870 0.353 0.000 0.996 697 L CA -0.552 54.450 54.840 0.271 0.000 0.831 697 L CB 1.899 44.062 42.059 0.174 0.000 1.232 697 L HN 0.790 nan 8.230 nan 0.000 0.413 698 A N 2.407 125.350 122.820 0.205 0.000 2.305 698 A HA 0.821 5.154 4.320 0.022 0.000 0.322 698 A C 0.735 178.313 177.584 -0.010 0.000 1.187 698 A CA 0.343 52.371 52.037 -0.014 0.000 0.825 698 A CB 1.117 19.921 19.000 -0.328 0.000 1.164 698 A HN 0.973 nan 8.150 nan 0.000 0.498 699 G N 2.082 110.867 108.800 -0.025 0.000 2.651 699 G HA2 -0.365 3.608 3.960 0.022 0.000 0.315 699 G HA3 -0.365 3.608 3.960 0.022 0.000 0.315 699 G C 0.525 175.421 174.900 -0.007 0.000 1.258 699 G CA 0.963 46.049 45.100 -0.023 0.000 1.002 699 G HN 0.710 nan 8.290 nan 0.000 0.551 700 D N 1.394 121.781 120.400 -0.021 0.000 2.350 700 D HA 0.226 4.879 4.640 0.022 0.000 0.216 700 D C 2.562 178.834 176.300 -0.047 0.000 0.968 700 D CA 1.534 55.510 54.000 -0.039 0.000 0.894 700 D CB -0.646 40.123 40.800 -0.052 0.000 0.909 700 D HN 0.775 nan 8.370 nan 0.000 0.520 701 A N 0.664 123.496 122.820 0.020 0.000 2.070 701 A HA -0.175 4.159 4.320 0.022 0.000 0.220 701 A C 2.006 179.666 177.584 0.126 0.000 1.159 701 A CA 0.782 52.891 52.037 0.121 0.000 0.656 701 A CB -0.393 18.730 19.000 0.207 0.000 0.800 701 A HN 0.150 nan 8.150 nan 0.000 0.453 702 R N -0.331 120.206 120.500 0.061 0.000 2.293 702 R HA -0.081 4.272 4.340 0.022 0.000 0.219 702 R C 1.723 178.015 176.300 -0.013 0.000 1.091 702 R CA 1.141 57.270 56.100 0.048 0.000 1.004 702 R CB -0.204 30.117 30.300 0.035 0.000 0.865 702 R HN 0.508 nan 8.270 nan 0.000 0.469 703 K N -0.112 120.223 120.400 -0.108 0.000 2.152 703 K HA -0.128 4.205 4.320 0.022 0.000 0.206 703 K C 1.195 177.670 176.600 -0.208 0.000 1.048 703 K CA 1.231 57.397 56.287 -0.202 0.000 0.933 703 K CB -0.066 32.231 32.500 -0.339 0.000 0.721 703 K HN 0.085 nan 8.250 nan 0.000 0.447 704 F N 1.516 121.441 119.950 -0.043 0.000 2.546 704 F HA -0.076 4.464 4.527 0.022 0.000 0.298 704 F C 1.664 177.413 175.800 -0.084 0.000 1.120 704 F CA 0.921 58.883 58.000 -0.063 0.000 1.456 704 F CB -0.173 38.789 39.000 -0.063 0.000 1.088 704 F HN -0.074 nan 8.300 nan 0.000 0.572 705 K N 0.008 120.452 120.400 0.073 0.000 2.211 705 K HA -0.148 4.185 4.320 0.022 0.000 0.204 705 K C 2.286 178.861 176.600 -0.042 0.000 1.047 705 K CA 1.131 57.414 56.287 -0.007 0.000 0.935 705 K CB -0.365 32.129 32.500 -0.011 0.000 0.728 705 K HN 0.259 nan 8.250 nan 0.000 0.452 706 A N 0.859 123.662 122.820 -0.028 0.000 1.968 706 A HA -0.101 4.232 4.320 0.022 0.000 0.217 706 A C 2.133 179.695 177.584 -0.036 0.000 1.169 706 A CA 1.574 53.588 52.037 -0.038 0.000 0.638 706 A CB -0.659 18.318 19.000 -0.038 0.000 0.812 706 A HN 0.204 nan 8.150 nan 0.000 0.446 707 T N 1.075 115.628 114.554 -0.002 0.000 2.684 707 T HA -0.138 4.225 4.350 0.022 0.000 0.267 707 T C 1.470 176.112 174.700 -0.098 0.000 1.036 707 T CA 1.658 63.755 62.100 -0.005 0.000 1.148 707 T CB -0.541 68.374 68.868 0.078 0.000 0.863 707 T HN 0.718 nan 8.240 nan 0.000 0.436 708 I N -1.258 119.201 120.570 -0.185 0.000 3.864 708 I HA 0.352 4.535 4.170 0.022 0.000 0.326 708 I C -0.362 175.527 176.117 -0.380 0.000 1.444 708 I CA -0.459 60.595 61.300 -0.409 0.000 1.195 708 I CB -0.575 37.005 38.000 -0.700 0.000 1.124 708 I HN 0.010 nan 8.210 nan 0.000 0.407 709 K N 1.753 122.039 120.400 -0.190 0.000 3.540 709 K HA -0.152 4.181 4.320 0.022 0.000 0.274 709 K C -0.312 176.217 176.600 -0.118 0.000 0.890 709 K CA 0.622 56.838 56.287 -0.118 0.000 0.701 709 K CB -1.525 30.929 32.500 -0.076 0.000 1.523 709 K HN 0.573 nan 8.250 nan 0.000 0.450 710 I N 0.862 121.359 120.570 -0.121 0.000 2.392 710 I HA 0.238 4.421 4.170 0.022 0.000 0.295 710 I C 0.950 177.045 176.117 -0.036 0.000 0.985 710 I CA -0.567 60.685 61.300 -0.080 0.000 1.221 710 I CB 1.456 39.401 38.000 -0.092 0.000 1.366 710 I HN 0.355 nan 8.210 nan 0.000 0.467 711 A N 4.399 127.211 122.820 -0.014 0.000 2.547 711 A HA -0.029 4.304 4.320 0.022 0.000 0.233 711 A C 0.952 178.532 177.584 -0.007 0.000 1.067 711 A CA -0.025 52.008 52.037 -0.007 0.000 0.763 711 A CB 0.072 19.073 19.000 0.002 0.000 1.007 711 A HN 0.822 nan 8.150 nan 0.000 0.506 712 D N 0.073 120.469 120.400 -0.007 0.000 2.104 712 D HA -0.191 4.462 4.640 0.022 0.000 0.194 712 D C 2.013 178.312 176.300 -0.000 0.000 0.994 712 D CA 1.925 55.922 54.000 -0.005 0.000 0.830 712 D CB -0.106 40.691 40.800 -0.005 0.000 0.959 712 D HN 0.793 nan 8.370 nan 0.000 0.452 713 Q N 0.650 120.451 119.800 0.001 0.000 2.437 713 Q HA 0.015 4.368 4.340 0.022 0.000 0.210 713 Q C 0.638 176.641 176.000 0.005 0.000 0.972 713 Q CA 1.257 57.062 55.803 0.003 0.000 0.903 713 Q CB 0.087 28.827 28.738 0.004 0.000 0.967 713 Q HN 0.207 nan 8.270 nan 0.000 0.486 714 G N 0.942 109.745 108.800 0.004 0.000 2.592 714 G HA2 -0.178 3.796 3.960 0.022 0.000 0.684 714 G HA3 -0.178 3.796 3.960 0.022 0.000 0.684 714 G C -1.345 173.559 174.900 0.007 0.000 1.291 714 G CA -0.215 44.888 45.100 0.005 0.000 0.891 714 G HN 0.551 nan 8.290 nan 0.000 0.544 715 E N -0.847 119.357 120.200 0.007 0.000 2.378 715 E HA 0.486 4.849 4.350 0.022 0.000 0.283 715 E C -0.559 176.039 176.600 -0.004 0.000 0.979 715 E CA -0.779 55.628 56.400 0.011 0.000 0.795 715 E CB 1.149 30.871 29.700 0.035 0.000 1.221 715 E HN 0.622 nan 8.360 nan 0.000 0.428 716 E N 1.053 121.243 120.200 -0.016 0.000 2.529 716 E HA 0.195 4.558 4.350 0.022 0.000 0.259 716 E C 0.706 177.269 176.600 -0.061 0.000 0.966 716 E CA 1.832 58.207 56.400 -0.041 0.000 0.937 716 E CB 0.659 30.332 29.700 -0.044 0.000 0.923 716 E HN 0.888 nan 8.360 nan 0.000 0.468 717 G N 3.273 112.021 108.800 -0.086 0.000 2.232 717 G HA2 -0.204 3.769 3.960 0.022 0.000 0.226 717 G HA3 -0.204 3.769 3.960 0.022 0.000 0.226 717 G C 0.117 174.970 174.900 -0.080 0.000 0.996 717 G CA -0.400 44.630 45.100 -0.115 0.000 0.626 717 G HN 0.445 nan 8.290 nan 0.000 0.509 718 I N 2.249 122.791 120.570 -0.046 0.000 2.354 718 I HA 0.471 4.654 4.170 0.022 0.000 0.286 718 I C 0.443 176.513 176.117 -0.078 0.000 1.007 718 I CA -1.023 60.256 61.300 -0.035 0.000 1.167 718 I CB 1.292 39.300 38.000 0.014 0.000 1.320 718 I HN -0.092 nan 8.210 nan 0.000 0.458 719 V N 7.504 127.330 119.914 -0.146 0.000 2.498 719 V HA 0.355 4.488 4.120 0.022 0.000 0.279 719 V C 0.267 176.266 176.094 -0.158 0.000 1.048 719 V CA -0.378 61.772 62.300 -0.250 0.000 0.967 719 V CB 1.151 32.668 31.823 -0.510 0.000 0.988 719 V HN 0.863 nan 8.190 nan 0.000 0.473 720 E N 4.301 124.482 120.200 -0.032 0.000 2.343 720 E HA 0.869 5.233 4.350 0.022 0.000 0.278 720 E C -0.986 175.745 176.600 0.218 0.000 0.910 720 E CA -0.933 55.556 56.400 0.148 0.000 0.757 720 E CB 2.543 32.296 29.700 0.088 0.000 1.218 720 E HN 0.782 nan 8.360 nan 0.000 0.435 721 A N 1.855 124.850 122.820 0.293 0.000 2.540 721 A HA 0.360 4.693 4.320 0.022 0.000 0.291 721 A C -0.552 177.079 177.584 0.079 0.000 1.083 721 A CA -0.571 51.579 52.037 0.188 0.000 0.650 721 A CB 1.065 20.223 19.000 0.263 0.000 1.292 721 A HN 0.600 nan 8.150 nan 0.000 0.435 722 D N 0.410 120.826 120.400 0.027 0.000 2.178 722 D HA 0.058 4.711 4.640 0.022 0.000 0.202 722 D C 0.997 177.254 176.300 -0.072 0.000 0.974 722 D CA 2.228 56.218 54.000 -0.016 0.000 0.841 722 D CB 0.086 40.879 40.800 -0.013 0.000 0.953 722 D HN 0.786 nan 8.370 nan 0.000 0.478 723 S N -1.698 113.926 115.700 -0.126 0.000 2.607 723 S HA 0.632 5.115 4.470 0.022 0.000 0.273 723 S C -0.427 173.886 174.600 -0.479 0.000 1.148 723 S CA -0.621 57.440 58.200 -0.231 0.000 0.833 723 S CB 1.968 65.082 63.200 -0.144 0.000 1.130 723 S HN -0.041 nan 8.310 nan 0.000 0.470 724 A N 1.126 123.567 122.820 -0.633 0.000 2.916 724 A HA 0.349 4.683 4.320 0.022 0.000 0.254 724 A C 0.745 178.112 177.584 -0.361 0.000 1.544 724 A CA 0.321 51.741 52.037 -1.029 0.000 1.224 724 A CB -1.466 17.085 19.000 -0.748 0.000 1.012 724 A HN 0.837 nan 8.150 nan 0.000 0.636 725 D N -0.701 119.594 120.400 -0.174 0.000 2.634 725 D HA 0.154 4.807 4.640 0.022 0.000 0.262 725 D C 1.684 178.008 176.300 0.040 0.000 1.354 725 D CA 1.108 55.084 54.000 -0.039 0.000 1.028 725 D CB -0.870 39.903 40.800 -0.045 0.000 1.061 725 D HN 0.098 nan 8.370 nan 0.000 0.387 726 G N -0.046 108.786 108.800 0.054 0.000 2.572 726 G HA2 -0.075 3.898 3.960 0.022 0.000 0.214 726 G HA3 -0.075 3.898 3.960 0.022 0.000 0.214 726 G C 1.616 176.566 174.900 0.083 0.000 1.246 726 G CA 1.332 46.465 45.100 0.056 0.000 0.835 726 G HN 0.493 nan 8.290 nan 0.000 0.551 727 S N -0.429 115.324 115.700 0.089 0.000 2.527 727 S HA 0.083 4.566 4.470 0.022 0.000 0.222 727 S C 2.006 176.671 174.600 0.109 0.000 0.985 727 S CA 0.586 58.833 58.200 0.078 0.000 0.921 727 S CB -0.357 62.872 63.200 0.049 0.000 0.772 727 S HN 0.248 nan 8.310 nan 0.000 0.529 728 F N 2.411 122.359 119.950 -0.003 0.000 2.043 728 F HA -0.138 4.402 4.527 0.022 0.000 0.297 728 F C 2.321 178.118 175.800 -0.005 0.000 1.121 728 F CA 2.045 60.043 58.000 -0.003 0.000 1.199 728 F CB -0.223 38.776 39.000 -0.002 0.000 0.968 728 F HN 0.190 nan 8.300 nan 0.000 0.478 729 M N -0.114 119.630 119.600 0.240 0.000 2.200 729 M HA -0.154 4.340 4.480 0.022 0.000 0.265 729 M C 1.766 178.079 176.300 0.022 0.000 1.066 729 M CA 1.292 56.667 55.300 0.126 0.000 1.127 729 M CB -1.306 31.385 32.600 0.152 0.000 1.379 729 M HN 0.128 nan 8.290 nan 0.000 0.420 730 D N 0.458 120.872 120.400 0.024 0.000 2.144 730 D HA -0.138 4.516 4.640 0.022 0.000 0.199 730 D C 1.966 178.246 176.300 -0.033 0.000 0.984 730 D CA 1.120 55.120 54.000 -0.001 0.000 0.834 730 D CB -0.097 40.709 40.800 0.010 0.000 0.955 730 D HN 0.468 nan 8.370 nan 0.000 0.465 731 E N 0.243 120.406 120.200 -0.060 0.000 2.072 731 E HA -0.107 4.257 4.350 0.022 0.000 0.191 731 E C 2.084 178.606 176.600 -0.130 0.000 0.985 731 E CA 0.148 56.491 56.400 -0.095 0.000 0.801 731 E CB -0.030 29.597 29.700 -0.122 0.000 0.750 731 E HN 0.136 nan 8.360 nan 0.000 0.452 732 L N 1.081 122.197 121.223 -0.178 0.000 2.046 732 L HA -0.158 4.195 4.340 0.022 0.000 0.208 732 L C 2.025 178.837 176.870 -0.097 0.000 1.077 732 L CA 1.587 56.324 54.840 -0.171 0.000 0.747 732 L CB -0.477 41.461 42.059 -0.202 0.000 0.896 732 L HN 0.226 nan 8.230 nan 0.000 0.432 733 L N -0.588 120.597 121.223 -0.062 0.000 2.156 733 L HA -0.161 4.192 4.340 0.022 0.000 0.208 733 L C 2.419 179.269 176.870 -0.034 0.000 1.095 733 L CA 1.274 56.092 54.840 -0.036 0.000 0.770 733 L CB -0.640 41.408 42.059 -0.018 0.000 0.914 733 L HN 0.221 nan 8.230 nan 0.000 0.439 734 T N 0.081 114.611 114.554 -0.041 0.000 2.777 734 T HA -0.113 4.250 4.350 0.022 0.000 0.266 734 T C 1.948 176.621 174.700 -0.046 0.000 1.040 734 T CA 1.111 63.192 62.100 -0.032 0.000 1.141 734 T CB -0.173 68.676 68.868 -0.032 0.000 0.868 734 T HN 0.175 nan 8.240 nan 0.000 0.444 735 L N 0.367 121.544 121.223 -0.077 0.000 2.046 735 L HA -0.057 4.296 4.340 0.022 0.000 0.208 735 L C 2.668 179.479 176.870 -0.099 0.000 1.077 735 L CA 1.262 56.037 54.840 -0.107 0.000 0.747 735 L CB -0.556 41.418 42.059 -0.142 0.000 0.896 735 L HN 0.292 nan 8.230 nan 0.000 0.432 736 M N -0.814 118.744 119.600 -0.070 0.000 2.229 736 M HA -0.158 4.336 4.480 0.022 0.000 0.264 736 M C 2.459 178.765 176.300 0.011 0.000 1.063 736 M CA 1.622 56.898 55.300 -0.039 0.000 1.114 736 M CB -0.494 32.093 32.600 -0.023 0.000 1.387 736 M HN 0.317 nan 8.290 nan 0.000 0.420 737 A N 0.313 123.140 122.820 0.012 0.000 2.015 737 A HA 0.061 4.394 4.320 0.022 0.000 0.219 737 A C 2.131 179.761 177.584 0.077 0.000 1.163 737 A CA 1.676 53.738 52.037 0.043 0.000 0.646 737 A CB -0.594 18.424 19.000 0.030 0.000 0.806 737 A HN 0.493 nan 8.150 nan 0.000 0.448 738 A N -2.529 120.318 122.820 0.044 0.000 2.307 738 A HA 0.370 4.703 4.320 0.022 0.000 0.218 738 A C 0.899 178.523 177.584 0.066 0.000 1.228 738 A CA 1.156 53.235 52.037 0.070 0.000 0.857 738 A CB -0.533 18.472 19.000 0.007 0.000 0.897 738 A HN 0.927 nan 8.150 nan 0.000 0.495 739 H N -1.014 118.009 119.070 -0.078 0.000 4.891 739 H HA -0.209 4.360 4.556 0.022 0.000 0.059 739 H C 0.079 175.191 175.328 -0.360 0.000 0.587 739 H CA 2.494 58.474 56.048 -0.114 0.000 0.970 739 H CB -0.539 29.256 29.762 0.055 0.000 0.535 739 H HN 0.465 nan 8.280 nan 0.000 0.802 740 R N -0.401 119.560 120.500 -0.899 0.000 2.808 740 R HA 0.580 4.934 4.340 0.022 0.000 0.272 740 R C -0.603 174.843 176.300 -1.423 0.000 0.995 740 R CA -0.266 55.054 56.100 -1.300 0.000 0.917 740 R CB 1.741 30.952 30.300 -1.814 0.000 1.217 740 R HN 0.083 nan 8.270 nan 0.000 0.471 741 V N 2.475 121.792 119.914 -0.996 0.000 2.096 741 V HA 0.076 4.209 4.120 0.022 0.000 0.259 741 V C 0.808 176.523 176.094 -0.632 0.000 1.420 741 V CA -0.415 61.469 62.300 -0.693 0.000 1.336 741 V CB -0.768 30.794 31.823 -0.435 0.000 1.394 741 V HN 0.709 nan 8.190 nan 0.000 0.494 742 W N 1.345 122.364 121.300 -0.468 0.000 2.331 742 W HA -0.244 4.429 4.660 0.022 0.000 0.291 742 W C 2.554 178.860 176.519 -0.355 0.000 1.214 742 W CA 0.992 57.968 57.345 -0.616 0.000 1.228 742 W CB -0.605 28.049 29.460 -1.344 0.000 1.135 742 W HN 0.634 nan 8.180 nan 0.000 0.537 743 S N 0.766 116.417 115.700 -0.083 0.000 2.500 743 S HA -0.169 4.314 4.470 0.022 0.000 0.239 743 S C 1.734 176.298 174.600 -0.060 0.000 0.989 743 S CA 1.063 59.239 58.200 -0.040 0.000 0.951 743 S CB -0.422 62.755 63.200 -0.038 0.000 0.759 743 S HN 0.456 nan 8.310 nan 0.000 0.523 744 R N 0.598 121.020 120.500 -0.130 0.000 2.275 744 R HA 0.253 4.607 4.340 0.022 0.000 0.199 744 R C 1.787 178.026 176.300 -0.102 0.000 0.989 744 R CA 0.386 56.393 56.100 -0.154 0.000 1.016 744 R CB -0.375 29.729 30.300 -0.327 0.000 0.918 744 R HN 0.476 nan 8.270 nan 0.000 0.473 745 I N 2.078 122.624 120.570 -0.040 0.000 2.113 745 I HA -0.270 3.913 4.170 0.022 0.000 0.242 745 I C -0.780 175.365 176.117 0.046 0.000 1.057 745 I CA 1.577 62.898 61.300 0.035 0.000 1.314 745 I CB -0.967 37.103 38.000 0.118 0.000 1.022 745 I HN 0.188 nan 8.210 nan 0.000 0.408 746 P HA -0.165 nan 4.420 nan 0.000 0.220 746 P C 0.910 178.239 177.300 0.049 0.000 1.148 746 P CA 1.493 64.624 63.100 0.052 0.000 0.803 746 P CB -0.172 31.557 31.700 0.048 0.000 0.782 747 K N -0.276 120.147 120.400 0.039 0.000 2.400 747 K HA 0.111 4.444 4.320 0.022 0.000 0.194 747 K C 1.912 178.566 176.600 0.089 0.000 1.033 747 K CA 0.720 57.048 56.287 0.069 0.000 1.021 747 K CB -0.431 32.130 32.500 0.102 0.000 0.808 747 K HN 0.298 nan 8.250 nan 0.000 0.505 748 I N -1.568 119.029 120.570 0.044 0.000 3.251 748 I HA 0.030 4.213 4.170 0.022 0.000 0.277 748 I C 1.329 177.485 176.117 0.066 0.000 1.268 748 I CA 0.872 62.203 61.300 0.050 0.000 1.449 748 I CB -0.004 37.979 38.000 -0.028 0.000 1.083 748 I HN -0.186 nan 8.210 nan 0.000 0.464 749 D N 1.981 122.422 120.400 0.068 0.000 2.310 749 D HA -0.171 4.482 4.640 0.022 0.000 0.212 749 D C 2.014 178.353 176.300 0.066 0.000 0.965 749 D CA 1.042 55.084 54.000 0.071 0.000 0.879 749 D CB 0.185 41.029 40.800 0.073 0.000 0.921 749 D HN 0.436 nan 8.370 nan 0.000 0.510 750 K N -0.149 120.290 120.400 0.064 0.000 2.211 750 K HA -0.002 4.331 4.320 0.022 0.000 0.201 750 K C 0.702 177.334 176.600 0.054 0.000 1.052 750 K CA -0.052 56.269 56.287 0.056 0.000 0.973 750 K CB 0.145 32.679 32.500 0.056 0.000 0.766 750 K HN -0.082 nan 8.250 nan 0.000 0.466 751 I N 3.936 124.545 120.570 0.065 0.000 2.662 751 I HA 0.040 4.223 4.170 0.022 0.000 0.285 751 I C -2.202 173.946 176.117 0.051 0.000 1.161 751 I CA -2.289 59.046 61.300 0.058 0.000 1.415 751 I CB 0.733 38.784 38.000 0.086 0.000 1.385 751 I HN 0.165 nan 8.210 nan 0.000 0.552 752 P HA 0.421 nan 4.420 nan 0.000 0.256 752 P C -0.887 176.466 177.300 0.088 0.000 1.689 752 P CA -0.172 62.963 63.100 0.058 0.000 1.124 752 P CB 0.416 32.144 31.700 0.047 0.000 1.766 753 A N 0.000 122.875 122.820 0.092 0.000 2.254 753 A HA 0.000 4.333 4.320 0.022 0.000 0.244 753 A CA 0.000 52.135 52.037 0.164 0.000 0.836 753 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486