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 1ggj_1_A DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGANTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.283 176.300 -0.028 0.000 2.045 27 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 27 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 28 S N 1.560 117.244 115.700 -0.028 0.000 4.001 28 S HA 0.176 4.685 4.470 0.063 0.000 0.457 28 S C 0.289 174.863 174.600 -0.043 0.000 0.787 28 S CA 0.741 58.922 58.200 -0.032 0.000 1.758 28 S CB -1.744 61.440 63.200 -0.026 0.000 1.159 28 S HN 0.516 nan 8.310 nan 0.000 0.562 29 L N 0.022 121.210 121.223 -0.057 0.000 2.286 29 L HA 1.005 5.383 4.340 0.063 0.000 0.265 29 L C 0.411 177.198 176.870 -0.138 0.000 1.012 29 L CA -1.376 53.411 54.840 -0.088 0.000 0.818 29 L CB 0.265 42.278 42.059 -0.076 0.000 1.337 29 L HN 0.464 nan 8.230 nan 0.000 0.438 30 A N 0.553 123.225 122.820 -0.246 0.000 2.547 30 A HA 0.470 4.829 4.320 0.063 0.000 0.233 30 A C -2.000 175.432 177.584 -0.254 0.000 1.067 30 A CA -0.467 51.291 52.037 -0.464 0.000 0.763 30 A CB -1.213 17.186 19.000 -1.002 0.000 1.007 30 A HN 0.710 nan 8.150 nan 0.000 0.506 31 P HA 0.060 nan 4.420 nan 0.000 0.270 31 P C 0.385 177.658 177.300 -0.046 0.000 1.223 31 P CA 0.008 63.071 63.100 -0.061 0.000 0.785 31 P CB 0.615 32.317 31.700 0.002 0.000 0.923 32 E N 1.394 121.583 120.200 -0.018 0.000 2.077 32 E HA -0.220 4.168 4.350 0.063 0.000 0.193 32 E C 1.186 177.800 176.600 0.022 0.000 0.989 32 E CA 1.856 58.254 56.400 -0.005 0.000 0.800 32 E CB -0.665 29.033 29.700 -0.003 0.000 0.746 32 E HN 0.503 nan 8.360 nan 0.000 0.452 33 D N -0.886 119.534 120.400 0.034 0.000 2.378 33 D HA -0.007 4.671 4.640 0.063 0.000 0.227 33 D C 1.215 177.565 176.300 0.083 0.000 1.012 33 D CA 0.908 54.937 54.000 0.048 0.000 0.905 33 D CB -0.560 40.262 40.800 0.037 0.000 0.895 33 D HN 0.314 nan 8.370 nan 0.000 0.532 34 G N 0.321 109.214 108.800 0.154 0.000 2.198 34 G HA2 -0.330 3.668 3.960 0.063 0.000 0.260 34 G HA3 -0.330 3.668 3.960 0.063 0.000 0.260 34 G C 0.863 175.864 174.900 0.168 0.000 1.025 34 G CA 0.817 46.069 45.100 0.253 0.000 0.769 34 G HN 0.678 nan 8.290 nan 0.000 0.507 35 S N -0.653 115.150 115.700 0.173 0.000 2.593 35 S HA 0.129 4.637 4.470 0.063 0.000 0.217 35 S C 1.585 176.241 174.600 0.092 0.000 0.966 35 S CA 0.935 59.185 58.200 0.084 0.000 0.914 35 S CB -0.455 62.783 63.200 0.063 0.000 0.776 35 S HN 1.010 nan 8.310 nan 0.000 0.523 36 H N 0.678 119.755 119.070 0.010 0.000 2.470 36 H HA 0.295 4.889 4.556 0.063 0.000 0.289 36 H C 1.103 176.442 175.328 0.018 0.000 1.033 36 H CA 0.209 56.264 56.048 0.012 0.000 1.331 36 H CB -0.019 29.749 29.762 0.010 0.000 1.414 36 H HN 0.314 nan 8.280 nan 0.000 0.545 37 R N 1.971 122.135 120.500 -0.559 0.000 2.338 37 R HA 0.322 4.700 4.340 0.063 0.000 0.317 37 R C -2.756 173.447 176.300 -0.162 0.000 0.968 37 R CA -2.440 53.429 56.100 -0.384 0.000 0.849 37 R CB 0.911 30.902 30.300 -0.515 0.000 1.128 37 R HN 0.107 nan 8.270 nan 0.000 0.448 38 P HA 0.073 nan 4.420 nan 0.000 0.268 38 P C -0.968 176.322 177.300 -0.018 0.000 1.204 38 P CA -0.192 62.895 63.100 -0.023 0.000 0.768 38 P CB 1.075 32.786 31.700 0.019 0.000 0.842 39 A N 3.142 125.958 122.820 -0.006 0.000 2.511 39 A HA 0.380 4.738 4.320 0.063 0.000 0.242 39 A C 0.910 178.503 177.584 0.014 0.000 1.069 39 A CA 0.128 52.165 52.037 0.000 0.000 0.763 39 A CB -0.325 18.678 19.000 0.005 0.000 1.001 39 A HN 0.572 nan 8.150 nan 0.000 0.498 40 A N 2.825 125.654 122.820 0.014 0.000 3.135 40 A HA 0.513 4.871 4.320 0.063 0.000 0.253 40 A C 0.229 177.831 177.584 0.029 0.000 1.638 40 A CA -0.063 51.988 52.037 0.024 0.000 1.295 40 A CB -0.419 18.593 19.000 0.019 0.000 1.106 40 A HN 0.739 nan 8.150 nan 0.000 0.648 41 E N 0.146 120.365 120.200 0.033 0.000 2.412 41 E HA 0.375 4.763 4.350 0.063 0.000 0.279 41 E C -3.150 173.473 176.600 0.038 0.000 0.984 41 E CA -1.994 54.427 56.400 0.036 0.000 0.788 41 E CB 1.719 31.435 29.700 0.027 0.000 1.277 41 E HN 0.028 nan 8.360 nan 0.000 0.455 42 P HA 0.086 nan 4.420 nan 0.000 0.263 42 P C -0.633 176.678 177.300 0.018 0.000 1.195 42 P CA 0.241 63.358 63.100 0.028 0.000 0.762 42 P CB 0.206 31.913 31.700 0.012 0.000 0.799 43 T N 1.109 115.670 114.554 0.011 0.000 2.903 43 T HA 0.627 5.015 4.350 0.063 0.000 0.299 43 T C -2.981 171.694 174.700 -0.042 0.000 1.093 43 T CA -2.778 59.322 62.100 0.000 0.000 1.002 43 T CB 1.554 70.426 68.868 0.007 0.000 1.127 43 T HN 0.038 nan 8.240 nan 0.000 0.488 44 P HA 0.331 nan 4.420 nan 0.000 0.272 44 P C -2.713 174.447 177.300 -0.233 0.000 1.223 44 P CA -1.500 61.451 63.100 -0.248 0.000 0.784 44 P CB -0.984 30.656 31.700 -0.099 0.000 0.923 45 P HA 0.030 nan 4.420 nan 0.000 0.264 45 P C 1.142 178.390 177.300 -0.087 0.000 1.183 45 P CA 1.402 64.399 63.100 -0.172 0.000 0.763 45 P CB -0.175 31.421 31.700 -0.173 0.000 0.807 46 G N 2.524 111.302 108.800 -0.036 0.000 2.253 46 G HA2 -0.367 3.631 3.960 0.063 0.000 0.251 46 G HA3 -0.367 3.631 3.960 0.063 0.000 0.251 46 G C 1.214 176.109 174.900 -0.010 0.000 0.998 46 G CA 0.536 45.627 45.100 -0.014 0.000 0.621 46 G HN 0.682 nan 8.290 nan 0.000 0.524 47 A N -0.972 121.839 122.820 -0.016 0.000 1.930 47 A HA 0.364 4.722 4.320 0.063 0.000 0.217 47 A C 1.384 178.969 177.584 0.002 0.000 1.175 47 A CA 2.131 54.164 52.037 -0.006 0.000 0.627 47 A CB -0.049 18.946 19.000 -0.009 0.000 0.815 47 A HN 0.515 nan 8.150 nan 0.000 0.443 48 Q N -1.086 118.718 119.800 0.007 0.000 2.456 48 Q HA 0.453 4.831 4.340 0.063 0.000 0.283 48 Q C -2.947 173.065 176.000 0.020 0.000 1.084 48 Q CA -2.202 53.609 55.803 0.013 0.000 0.801 48 Q CB 1.068 29.817 28.738 0.018 0.000 1.434 48 Q HN 0.100 nan 8.270 nan 0.000 0.419 49 P HA 0.038 nan 4.420 nan 0.000 0.269 49 P C -0.173 177.153 177.300 0.044 0.000 1.209 49 P CA 0.048 63.158 63.100 0.017 0.000 0.776 49 P CB 0.223 31.930 31.700 0.012 0.000 0.876 50 T N -0.654 113.926 114.554 0.042 0.000 2.828 50 T HA 0.638 5.026 4.350 0.063 0.000 0.290 50 T C -0.003 174.781 174.700 0.140 0.000 1.019 50 T CA -0.476 61.699 62.100 0.125 0.000 1.031 50 T CB 0.749 69.636 68.868 0.031 0.000 1.001 50 T HN 0.612 nan 8.240 nan 0.000 0.531 51 A N 1.312 124.314 122.820 0.304 0.000 2.599 51 A HA 0.768 5.126 4.320 0.063 0.000 0.290 51 A C -3.059 174.788 177.584 0.439 0.000 1.101 51 A CA -1.940 50.254 52.037 0.262 0.000 0.674 51 A CB 0.468 19.567 19.000 0.165 0.000 1.277 51 A HN 0.670 nan 8.150 nan 0.000 0.419 52 P HA 0.098 nan 4.420 nan 0.000 0.263 52 P C 1.240 178.684 177.300 0.240 0.000 1.175 52 P CA 1.024 64.334 63.100 0.350 0.000 0.761 52 P CB 0.427 32.259 31.700 0.220 0.000 0.794 53 G N 2.599 111.498 108.800 0.165 0.000 2.469 53 G HA2 -0.316 3.682 3.960 0.063 0.000 0.219 53 G HA3 -0.316 3.682 3.960 0.063 0.000 0.219 53 G C 1.557 176.470 174.900 0.021 0.000 1.150 53 G CA 1.180 46.294 45.100 0.024 0.000 0.763 53 G HN 0.601 nan 8.290 nan 0.000 0.561 54 S N 0.017 115.732 115.700 0.026 0.000 2.481 54 S HA 0.139 4.647 4.470 0.063 0.000 0.231 54 S C 2.208 176.825 174.600 0.028 0.000 0.996 54 S CA 0.849 59.053 58.200 0.007 0.000 0.942 54 S CB -0.164 63.034 63.200 -0.003 0.000 0.768 54 S HN 0.331 nan 8.310 nan 0.000 0.520 55 L N -0.138 121.118 121.223 0.055 0.000 2.253 55 L HA 0.266 4.644 4.340 0.063 0.000 0.205 55 L C 2.671 179.573 176.870 0.054 0.000 1.078 55 L CA 0.774 55.647 54.840 0.054 0.000 0.805 55 L CB -0.358 41.741 42.059 0.067 0.000 0.963 55 L HN 0.234 nan 8.230 nan 0.000 0.459 56 K N 1.522 121.965 120.400 0.072 0.000 2.062 56 K HA 0.028 4.386 4.320 0.063 0.000 0.205 56 K C 0.659 177.290 176.600 0.050 0.000 1.051 56 K CA 1.305 57.635 56.287 0.071 0.000 0.941 56 K CB 0.089 32.648 32.500 0.099 0.000 0.719 56 K HN 0.156 nan 8.250 nan 0.000 0.440 57 A N 0.799 123.641 122.820 0.037 0.000 3.082 57 A HA 0.363 4.721 4.320 0.063 0.000 0.328 57 A C -2.249 175.340 177.584 0.009 0.000 1.089 57 A CA -1.090 50.965 52.037 0.031 0.000 0.802 57 A CB 0.783 19.807 19.000 0.040 0.000 1.138 57 A HN 0.133 nan 8.150 nan 0.000 0.474 58 P HA -0.107 nan 4.420 nan 0.000 0.221 58 P C 0.218 177.511 177.300 -0.011 0.000 1.150 58 P CA 1.169 64.268 63.100 -0.002 0.000 0.800 58 P CB 0.318 32.021 31.700 0.005 0.000 0.787 59 D N -0.862 119.535 120.400 -0.004 0.000 2.347 59 D HA -0.007 4.671 4.640 0.063 0.000 0.213 59 D C 0.358 176.645 176.300 -0.022 0.000 0.985 59 D CA 0.694 54.688 54.000 -0.009 0.000 0.879 59 D CB -0.623 40.179 40.800 0.004 0.000 0.919 59 D HN 0.134 nan 8.370 nan 0.000 0.526 60 T N 2.099 116.638 114.554 -0.025 0.000 2.727 60 T HA 0.338 4.726 4.350 0.063 0.000 0.295 60 T C 0.572 175.227 174.700 -0.075 0.000 0.915 60 T CA -0.152 61.918 62.100 -0.050 0.000 1.066 60 T CB 1.139 69.977 68.868 -0.050 0.000 0.891 60 T HN -0.066 nan 8.240 nan 0.000 0.516 61 R N 2.644 123.091 120.500 -0.088 0.000 2.888 61 R HA 0.702 5.080 4.340 0.063 0.000 0.264 61 R C -0.621 175.615 176.300 -0.106 0.000 1.045 61 R CA -1.054 54.989 56.100 -0.096 0.000 0.962 61 R CB 1.600 31.850 30.300 -0.082 0.000 1.210 61 R HN 0.783 nan 8.270 nan 0.000 0.479 62 N N -1.801 116.840 118.700 -0.098 0.000 3.185 62 N HA -0.037 4.741 4.740 0.063 0.000 0.238 62 N C -0.159 175.303 175.510 -0.080 0.000 1.451 62 N CA -0.816 52.187 53.050 -0.078 0.000 0.888 62 N CB 0.738 39.207 38.487 -0.030 0.000 1.413 62 N HN 0.623 nan 8.380 nan 0.000 0.511 63 E N -0.119 120.047 120.200 -0.057 0.000 2.118 63 E HA -0.261 4.127 4.350 0.063 0.000 0.195 63 E C 1.058 177.584 176.600 -0.124 0.000 0.992 63 E CA 1.483 57.844 56.400 -0.066 0.000 0.804 63 E CB 0.085 29.770 29.700 -0.025 0.000 0.741 63 E HN 0.485 nan 8.360 nan 0.000 0.458 64 K N 0.717 121.005 120.400 -0.188 0.000 2.025 64 K HA -0.096 4.262 4.320 0.063 0.000 0.207 64 K C 2.068 178.505 176.600 -0.272 0.000 1.049 64 K CA 1.229 57.312 56.287 -0.340 0.000 0.933 64 K CB -0.464 31.656 32.500 -0.634 0.000 0.714 64 K HN 0.181 nan 8.250 nan 0.000 0.438 65 L N 0.848 121.926 121.223 -0.242 0.000 2.042 65 L HA -0.235 4.143 4.340 0.063 0.000 0.210 65 L C 1.841 178.597 176.870 -0.190 0.000 1.076 65 L CA 1.396 56.071 54.840 -0.276 0.000 0.749 65 L CB -0.587 41.306 42.059 -0.276 0.000 0.893 65 L HN 0.271 nan 8.230 nan 0.000 0.432 66 N N -0.454 118.160 118.700 -0.143 0.000 2.188 66 N HA -0.144 4.634 4.740 0.063 0.000 0.184 66 N C 2.060 177.511 175.510 -0.098 0.000 1.018 66 N CA 1.576 54.564 53.050 -0.103 0.000 0.858 66 N CB -0.452 37.987 38.487 -0.080 0.000 0.989 66 N HN 0.356 nan 8.380 nan 0.000 0.426 67 S N 0.562 116.193 115.700 -0.115 0.000 2.442 67 S HA 0.003 4.511 4.470 0.063 0.000 0.236 67 S C 1.779 176.318 174.600 -0.101 0.000 1.007 67 S CA 0.481 58.620 58.200 -0.101 0.000 0.965 67 S CB -0.510 62.622 63.200 -0.114 0.000 0.773 67 S HN 0.252 nan 8.310 nan 0.000 0.504 68 L N 0.735 121.884 121.223 -0.124 0.000 2.552 68 L HA 0.174 4.552 4.340 0.063 0.000 0.227 68 L C 2.618 179.442 176.870 -0.076 0.000 1.146 68 L CA 0.571 55.346 54.840 -0.108 0.000 0.858 68 L CB -0.393 41.583 42.059 -0.140 0.000 0.969 68 L HN 0.283 nan 8.230 nan 0.000 0.451 69 E N 1.019 121.178 120.200 -0.069 0.000 2.204 69 E HA -0.248 4.140 4.350 0.063 0.000 0.195 69 E C 1.695 178.275 176.600 -0.033 0.000 0.990 69 E CA 1.438 57.810 56.400 -0.047 0.000 0.821 69 E CB -0.046 29.629 29.700 -0.042 0.000 0.750 69 E HN 0.572 nan 8.360 nan 0.000 0.477 70 D N -0.535 119.845 120.400 -0.035 0.000 2.218 70 D HA -0.147 4.531 4.640 0.063 0.000 0.204 70 D C 1.645 177.932 176.300 -0.021 0.000 0.976 70 D CA 1.652 55.637 54.000 -0.025 0.000 0.853 70 D CB -0.399 40.385 40.800 -0.026 0.000 0.939 70 D HN 0.303 nan 8.370 nan 0.000 0.481 71 V N -3.365 116.535 119.914 -0.023 0.000 3.643 71 V HA 0.303 4.461 4.120 0.063 0.000 0.280 71 V C 0.909 176.998 176.094 -0.008 0.000 1.351 71 V CA -0.652 61.641 62.300 -0.013 0.000 1.073 71 V CB -0.533 31.283 31.823 -0.012 0.000 0.863 71 V HN -0.144 nan 8.190 nan 0.000 0.436 72 R N 2.009 122.502 120.500 -0.012 0.000 2.537 72 R HA 0.422 4.800 4.340 0.063 0.000 0.280 72 R C -0.268 176.034 176.300 0.004 0.000 1.058 72 R CA 0.124 56.225 56.100 0.001 0.000 1.057 72 R CB 0.648 30.948 30.300 -0.001 0.000 0.973 72 R HN 0.361 nan 8.270 nan 0.000 0.438 73 K N 1.021 121.427 120.400 0.011 0.000 2.376 73 K HA 0.332 4.690 4.320 0.063 0.000 0.257 73 K C -0.014 176.604 176.600 0.030 0.000 0.939 73 K CA -0.407 55.877 56.287 -0.006 0.000 0.809 73 K CB 1.829 34.309 32.500 -0.033 0.000 1.121 73 K HN 0.697 nan 8.250 nan 0.000 0.425 74 G N 0.513 109.352 108.800 0.064 0.000 2.546 74 G HA2 0.269 4.267 3.960 0.063 0.000 0.239 74 G HA3 0.269 4.267 3.960 0.063 0.000 0.239 74 G C 0.267 175.268 174.900 0.169 0.000 1.476 74 G CA 0.310 45.498 45.100 0.145 0.000 1.064 74 G HN 0.767 nan 8.290 nan 0.000 0.561 75 S N -2.805 113.065 115.700 0.284 0.000 2.138 75 S HA 0.063 4.571 4.470 0.063 0.000 0.214 75 S C 0.140 174.899 174.600 0.266 0.000 0.829 75 S CA -0.102 58.266 58.200 0.279 0.000 1.385 75 S CB -0.120 63.163 63.200 0.138 0.000 0.905 75 S HN 0.519 nan 8.310 nan 0.000 0.374 76 E N 3.212 123.500 120.200 0.147 0.000 2.415 76 E HA 0.304 4.692 4.350 0.063 0.000 0.263 76 E C -0.226 176.321 176.600 -0.087 0.000 0.995 76 E CA 0.242 56.667 56.400 0.043 0.000 0.915 76 E CB 0.015 29.729 29.700 0.023 0.000 0.951 76 E HN 0.401 nan 8.360 nan 0.000 0.449 77 N N 0.648 119.295 118.700 -0.089 0.000 2.948 77 N HA -0.195 4.583 4.740 0.063 0.000 0.239 77 N C -1.208 174.170 175.510 -0.220 0.000 0.954 77 N CA 1.084 54.030 53.050 -0.173 0.000 0.941 77 N CB -1.367 36.974 38.487 -0.243 0.000 1.101 77 N HN 0.397 nan 8.380 nan 0.000 0.579 78 Y N 0.651 120.958 120.300 0.011 0.000 2.420 78 Y HA 0.665 5.254 4.550 0.064 0.000 0.334 78 Y C 0.858 176.762 175.900 0.007 0.000 1.094 78 Y CA -0.642 57.464 58.100 0.009 0.000 1.126 78 Y CB 1.146 39.612 38.460 0.010 0.000 1.217 78 Y HN 0.124 nan 8.280 nan 0.000 0.462 79 A N 2.596 125.535 122.820 0.199 0.000 2.425 79 A HA 0.386 4.744 4.320 0.063 0.000 0.249 79 A C -0.671 176.962 177.584 0.082 0.000 1.084 79 A CA -0.504 51.596 52.037 0.104 0.000 0.781 79 A CB 0.015 19.064 19.000 0.082 0.000 1.019 79 A HN 0.723 nan 8.150 nan 0.000 0.490 80 L N 3.250 124.503 121.223 0.049 0.000 2.410 80 L HA 0.479 4.857 4.340 0.063 0.000 0.273 80 L C 0.671 177.551 176.870 0.017 0.000 1.144 80 L CA 1.184 56.040 54.840 0.026 0.000 0.863 80 L CB 0.178 42.243 42.059 0.011 0.000 1.140 80 L HN 0.909 nan 8.230 nan 0.000 0.463 81 T N 0.513 115.071 114.554 0.007 0.000 2.864 81 T HA 0.703 5.091 4.350 0.063 0.000 0.289 81 T C 0.266 174.970 174.700 0.006 0.000 1.082 81 T CA -0.162 61.945 62.100 0.011 0.000 1.009 81 T CB 1.019 69.896 68.868 0.014 0.000 1.234 81 T HN 0.773 nan 8.240 nan 0.000 0.526 82 T N 0.073 114.645 114.554 0.031 0.000 2.732 82 T HA 0.272 4.660 4.350 0.063 0.000 0.287 82 T C 0.980 175.700 174.700 0.032 0.000 0.993 82 T CA -0.611 61.517 62.100 0.046 0.000 0.966 82 T CB -0.044 68.897 68.868 0.122 0.000 1.047 82 T HN 0.564 nan 8.240 nan 0.000 0.527 83 N N 0.272 118.997 118.700 0.041 0.000 2.494 83 N HA -0.037 4.741 4.740 0.063 0.000 0.182 83 N C 1.474 177.006 175.510 0.036 0.000 1.076 83 N CA 0.415 53.481 53.050 0.027 0.000 0.908 83 N CB -0.097 38.415 38.487 0.042 0.000 0.967 83 N HN 0.528 nan 8.380 nan 0.000 0.449 84 Q N -0.398 119.434 119.800 0.054 0.000 2.320 84 Q HA 0.190 4.568 4.340 0.063 0.000 0.201 84 Q C 0.720 176.741 176.000 0.035 0.000 0.910 84 Q CA 0.059 55.888 55.803 0.043 0.000 0.946 84 Q CB 0.384 29.151 28.738 0.049 0.000 1.062 84 Q HN 0.381 nan 8.270 nan 0.000 0.503 85 G N 0.451 109.270 108.800 0.032 0.000 2.132 85 G HA2 -0.234 3.764 3.960 0.063 0.000 0.234 85 G HA3 -0.234 3.764 3.960 0.063 0.000 0.234 85 G C 0.047 174.970 174.900 0.040 0.000 0.989 85 G CA 0.154 45.268 45.100 0.023 0.000 0.676 85 G HN 0.220 nan 8.290 nan 0.000 0.522 86 V N 1.513 121.467 119.914 0.066 0.000 2.432 86 V HA 0.383 4.541 4.120 0.063 0.000 0.275 86 V C 1.263 177.398 176.094 0.069 0.000 1.043 86 V CA -0.698 61.653 62.300 0.086 0.000 0.925 86 V CB 1.169 33.087 31.823 0.159 0.000 0.985 86 V HN 0.409 nan 8.190 nan 0.000 0.466 87 R N 4.410 124.943 120.500 0.054 0.000 2.570 87 R HA 0.320 4.698 4.340 0.063 0.000 0.277 87 R C -0.488 175.829 176.300 0.027 0.000 1.039 87 R CA 0.008 56.131 56.100 0.038 0.000 1.065 87 R CB 0.456 30.777 30.300 0.036 0.000 0.964 87 R HN 0.577 nan 8.270 nan 0.000 0.428 88 I N 2.236 122.810 120.570 0.007 0.000 2.353 88 I HA 0.098 4.306 4.170 0.063 0.000 0.293 88 I C 1.043 177.151 176.117 -0.016 0.000 0.992 88 I CA 0.038 61.326 61.300 -0.020 0.000 1.268 88 I CB 1.826 39.803 38.000 -0.037 0.000 1.387 88 I HN 0.779 nan 8.210 nan 0.000 0.478 89 A N 4.207 127.014 122.820 -0.022 0.000 1.911 89 A HA -0.008 4.350 4.320 0.063 0.000 0.212 89 A C 0.675 178.244 177.584 -0.024 0.000 1.189 89 A CA 0.972 52.999 52.037 -0.016 0.000 0.639 89 A CB 0.029 19.022 19.000 -0.012 0.000 0.839 89 A HN 0.689 nan 8.150 nan 0.000 0.449 90 D N -0.668 119.709 120.400 -0.038 0.000 2.469 90 D HA 0.343 5.021 4.640 0.063 0.000 0.251 90 D C -1.380 174.888 176.300 -0.052 0.000 1.173 90 D CA -0.392 53.584 54.000 -0.040 0.000 0.882 90 D CB 1.226 42.003 40.800 -0.039 0.000 1.129 90 D HN 0.038 nan 8.370 nan 0.000 0.549 91 D N 2.099 122.472 120.400 -0.046 0.000 2.460 91 D HA 0.067 4.745 4.640 0.063 0.000 0.229 91 D C 0.602 176.871 176.300 -0.051 0.000 1.170 91 D CA 0.224 54.193 54.000 -0.052 0.000 0.827 91 D CB 0.502 41.276 40.800 -0.043 0.000 0.973 91 D HN 0.219 nan 8.370 nan 0.000 0.496 92 Q N -0.628 119.143 119.800 -0.048 0.000 2.280 92 Q HA 0.271 4.649 4.340 0.063 0.000 0.228 92 Q C -0.161 175.810 176.000 -0.048 0.000 0.857 92 Q CA 0.258 56.034 55.803 -0.045 0.000 0.939 92 Q CB 0.769 29.485 28.738 -0.037 0.000 1.114 92 Q HN 0.202 nan 8.270 nan 0.000 0.514 93 N N -0.073 118.596 118.700 -0.052 0.000 2.242 93 N HA 0.316 5.094 4.740 0.063 0.000 0.292 93 N C -0.941 174.534 175.510 -0.058 0.000 1.125 93 N CA -0.253 52.767 53.050 -0.050 0.000 0.783 93 N CB 2.098 40.560 38.487 -0.041 0.000 1.558 93 N HN -0.183 nan 8.380 nan 0.000 0.472 94 S N 0.713 116.382 115.700 -0.052 0.000 2.603 94 S HA 0.270 4.778 4.470 0.063 0.000 0.268 94 S C 0.167 174.740 174.600 -0.046 0.000 1.317 94 S CA -0.554 57.614 58.200 -0.053 0.000 1.012 94 S CB 0.688 63.863 63.200 -0.041 0.000 0.926 94 S HN 0.404 nan 8.310 nan 0.000 0.539 95 L N 3.179 124.374 121.223 -0.047 0.000 2.319 95 L HA 0.477 4.855 4.340 0.063 0.000 0.280 95 L C 0.013 176.872 176.870 -0.018 0.000 1.099 95 L CA 0.273 55.094 54.840 -0.033 0.000 0.828 95 L CB 0.025 42.065 42.059 -0.032 0.000 1.150 95 L HN 0.753 nan 8.230 nan 0.000 0.442 96 R N 4.129 124.622 120.500 -0.013 0.000 2.799 96 R HA 0.843 5.221 4.340 0.063 0.000 0.270 96 R C -1.191 175.107 176.300 -0.003 0.000 1.010 96 R CA -0.819 55.277 56.100 -0.007 0.000 0.916 96 R CB 1.149 31.442 30.300 -0.010 0.000 1.228 96 R HN 0.591 nan 8.270 nan 0.000 0.469 97 A N 1.334 124.154 122.820 -0.000 0.000 2.671 97 A HA 0.572 4.930 4.320 0.063 0.000 0.306 97 A C 0.640 178.224 177.584 -0.001 0.000 1.473 97 A CA 0.380 52.417 52.037 0.001 0.000 1.155 97 A CB -1.013 17.989 19.000 0.004 0.000 1.123 97 A HN 1.262 nan 8.150 nan 0.000 0.545 98 G N 1.132 109.931 108.800 -0.002 0.000 2.692 98 G HA2 0.045 4.043 3.960 0.063 0.000 0.686 98 G HA3 0.045 4.043 3.960 0.063 0.000 0.686 98 G C 0.691 175.587 174.900 -0.006 0.000 1.243 98 G CA 0.177 45.275 45.100 -0.003 0.000 0.782 98 G HN 1.871 nan 8.290 nan 0.000 0.625 99 S N -0.067 115.629 115.700 -0.007 0.000 2.507 99 S HA -0.002 4.506 4.470 0.063 0.000 0.235 99 S C 1.533 176.127 174.600 -0.010 0.000 0.988 99 S CA 1.454 59.649 58.200 -0.009 0.000 0.944 99 S CB 0.032 63.226 63.200 -0.010 0.000 0.762 99 S HN 0.751 nan 8.310 nan 0.000 0.526 100 R N 0.622 121.117 120.500 -0.008 0.000 2.613 100 R HA 0.336 4.714 4.340 0.063 0.000 0.361 100 R C 0.830 177.126 176.300 -0.006 0.000 1.072 100 R CA 0.072 56.167 56.100 -0.008 0.000 1.089 100 R CB 0.881 31.177 30.300 -0.007 0.000 1.343 100 R HN 0.438 nan 8.270 nan 0.000 0.571 101 G N 1.682 110.479 108.800 -0.006 0.000 2.557 101 G HA2 0.388 4.386 3.960 0.063 0.000 0.302 101 G HA3 0.388 4.386 3.960 0.063 0.000 0.302 101 G C -2.415 172.482 174.900 -0.004 0.000 1.311 101 G CA -1.153 43.945 45.100 -0.004 0.000 1.030 101 G HN -0.114 nan 8.290 nan 0.000 0.509 102 P HA 0.185 nan 4.420 nan 0.000 0.271 102 P C -0.110 177.189 177.300 -0.001 0.000 1.218 102 P CA 0.002 63.101 63.100 -0.001 0.000 0.780 102 P CB 0.734 32.435 31.700 0.002 0.000 0.901 103 T N 3.161 117.713 114.554 -0.003 0.000 2.901 103 T HA 0.239 4.627 4.350 0.063 0.000 0.301 103 T C 0.555 175.257 174.700 0.004 0.000 1.012 103 T CA -0.083 62.015 62.100 -0.003 0.000 1.135 103 T CB -0.027 68.837 68.868 -0.007 0.000 0.936 103 T HN 0.191 nan 8.240 nan 0.000 0.539 104 L N 3.446 124.673 121.223 0.007 0.000 2.357 104 L HA 0.337 4.715 4.340 0.063 0.000 0.273 104 L C 1.451 178.336 176.870 0.025 0.000 1.080 104 L CA -0.813 54.037 54.840 0.017 0.000 0.803 104 L CB 0.663 42.733 42.059 0.020 0.000 1.174 104 L HN 0.494 nan 8.230 nan 0.000 0.443 105 L N 1.894 123.136 121.223 0.032 0.000 2.265 105 L HA -0.167 4.211 4.340 0.063 0.000 0.215 105 L C 2.220 179.129 176.870 0.064 0.000 1.117 105 L CA 1.552 56.418 54.840 0.043 0.000 0.782 105 L CB -0.588 41.493 42.059 0.038 0.000 0.914 105 L HN 0.793 nan 8.230 nan 0.000 0.441 106 E N -1.668 118.575 120.200 0.071 0.000 2.511 106 E HA -0.139 4.249 4.350 0.063 0.000 0.196 106 E C 0.128 176.824 176.600 0.160 0.000 1.066 106 E CA 0.105 56.575 56.400 0.117 0.000 0.871 106 E CB -0.463 29.300 29.700 0.104 0.000 0.863 106 E HN 0.342 nan 8.360 nan 0.000 0.520 107 D N 1.239 121.687 120.400 0.080 0.000 2.470 107 D HA -0.030 4.648 4.640 0.063 0.000 0.226 107 D C 0.444 176.754 176.300 0.017 0.000 1.196 107 D CA -0.554 53.444 54.000 -0.004 0.000 0.979 107 D CB -0.155 40.615 40.800 -0.049 0.000 1.059 107 D HN 0.309 nan 8.370 nan 0.000 0.515 108 F N 1.944 121.903 119.950 0.015 0.000 2.407 108 F HA 0.078 4.643 4.527 0.063 0.000 0.299 108 F C 1.624 177.437 175.800 0.021 0.000 1.097 108 F CA 0.153 58.164 58.000 0.020 0.000 1.422 108 F CB -0.564 38.446 39.000 0.018 0.000 1.067 108 F HN 0.173 nan 8.300 nan 0.000 0.539 109 I N 0.453 120.622 120.570 -0.668 0.000 2.202 109 I HA -0.213 3.995 4.170 0.063 0.000 0.242 109 I C 2.496 178.512 176.117 -0.169 0.000 1.091 109 I CA 1.161 62.191 61.300 -0.450 0.000 1.368 109 I CB -0.512 37.168 38.000 -0.533 0.000 1.058 109 I HN 0.296 nan 8.210 nan 0.000 0.410 110 L N 1.187 122.320 121.223 -0.150 0.000 1.994 110 L HA -0.185 4.193 4.340 0.063 0.000 0.208 110 L C 2.621 179.486 176.870 -0.009 0.000 1.071 110 L CA 1.849 56.647 54.840 -0.070 0.000 0.745 110 L CB -0.611 41.410 42.059 -0.062 0.000 0.892 110 L HN 0.049 nan 8.230 nan 0.000 0.431 111 R N -0.564 119.950 120.500 0.023 0.000 2.120 111 R HA -0.166 4.212 4.340 0.063 0.000 0.234 111 R C 2.290 178.650 176.300 0.099 0.000 1.123 111 R CA 1.446 57.587 56.100 0.070 0.000 0.975 111 R CB -0.374 29.980 30.300 0.090 0.000 0.866 111 R HN 0.596 nan 8.270 nan 0.000 0.446 112 E N 1.242 121.505 120.200 0.105 0.000 2.047 112 E HA -0.221 4.167 4.350 0.063 0.000 0.191 112 E C 1.929 178.609 176.600 0.133 0.000 0.987 112 E CA 1.156 57.635 56.400 0.131 0.000 0.799 112 E CB 0.122 29.904 29.700 0.137 0.000 0.752 112 E HN 0.140 nan 8.360 nan 0.000 0.449 113 K N 0.302 120.749 120.400 0.079 0.000 2.032 113 K HA -0.163 4.195 4.320 0.063 0.000 0.209 113 K C 2.140 178.816 176.600 0.126 0.000 1.048 113 K CA 1.485 57.815 56.287 0.072 0.000 0.927 113 K CB -0.056 32.444 32.500 0.002 0.000 0.712 113 K HN 0.152 nan 8.250 nan 0.000 0.441 114 I N 1.238 121.868 120.570 0.100 0.000 2.252 114 I HA -0.193 4.015 4.170 0.063 0.000 0.245 114 I C 2.215 178.456 176.117 0.208 0.000 1.102 114 I CA 1.367 62.749 61.300 0.137 0.000 1.385 114 I CB -1.602 36.442 38.000 0.074 0.000 1.064 114 I HN 0.237 nan 8.210 nan 0.000 0.414 115 T N -0.107 114.559 114.554 0.188 0.000 2.652 115 T HA -0.242 4.146 4.350 0.063 0.000 0.267 115 T C 1.967 176.832 174.700 0.274 0.000 1.039 115 T CA 1.588 63.827 62.100 0.232 0.000 1.153 115 T CB -0.521 68.480 68.868 0.221 0.000 0.863 115 T HN 0.345 nan 8.240 nan 0.000 0.428 116 H N -0.109 119.066 119.070 0.175 0.000 2.352 116 H HA -0.096 4.498 4.556 0.064 0.000 0.299 116 H C 2.206 177.602 175.328 0.112 0.000 1.097 116 H CA 1.769 57.901 56.048 0.140 0.000 1.311 116 H CB -0.441 29.382 29.762 0.101 0.000 1.377 116 H HN 0.392 nan 8.280 nan 0.000 0.504 117 F N 2.062 122.093 119.950 0.135 0.000 2.102 117 F HA -0.193 4.373 4.527 0.065 0.000 0.298 117 F C 2.047 177.809 175.800 -0.063 0.000 1.105 117 F CA 1.722 59.743 58.000 0.036 0.000 1.239 117 F CB -0.379 38.629 39.000 0.014 0.000 0.991 117 F HN 0.055 nan 8.300 nan 0.000 0.474 118 D N -1.059 119.273 120.400 -0.114 0.000 2.265 118 D HA -0.161 4.518 4.640 0.063 0.000 0.208 118 D C 1.070 176.986 176.300 -0.640 0.000 0.977 118 D CA 1.258 55.017 54.000 -0.402 0.000 0.871 118 D CB -0.413 40.155 40.800 -0.386 0.000 0.925 118 D HN 0.513 nan 8.370 nan 0.000 0.485 119 H N -0.363 118.593 119.070 -0.190 0.000 2.467 119 H HA 0.238 4.832 4.556 0.064 0.000 0.275 119 H C 0.933 176.106 175.328 -0.259 0.000 1.131 119 H CA -0.122 55.810 56.048 -0.194 0.000 0.989 119 H CB 0.492 30.158 29.762 -0.160 0.000 1.696 119 H HN 0.249 nan 8.280 nan 0.000 0.574 120 E N 0.730 120.780 120.200 -0.251 0.000 2.107 120 E HA -0.026 4.362 4.350 0.063 0.000 0.191 120 E C 0.526 176.987 176.600 -0.233 0.000 0.982 120 E CA 0.460 56.686 56.400 -0.290 0.000 0.809 120 E CB 0.481 29.983 29.700 -0.330 0.000 0.756 120 E HN 0.183 nan 8.360 nan 0.000 0.459 121 R N 1.359 121.771 120.500 -0.147 0.000 2.441 121 R HA 0.310 4.688 4.340 0.063 0.000 0.284 121 R C 0.433 176.766 176.300 0.054 0.000 1.070 121 R CA -0.130 55.953 56.100 -0.027 0.000 1.047 121 R CB 0.497 30.769 30.300 -0.046 0.000 1.016 121 R HN 0.192 nan 8.270 nan 0.000 0.477 122 I N -0.934 119.724 120.570 0.147 0.000 2.740 122 I HA 0.557 4.765 4.170 0.063 0.000 0.303 122 I C -2.316 173.861 176.117 0.099 0.000 1.044 122 I CA -2.987 58.397 61.300 0.140 0.000 1.064 122 I CB 2.008 40.126 38.000 0.196 0.000 1.249 122 I HN 0.249 nan 8.210 nan 0.000 0.433 123 P HA 0.079 nan 4.420 nan 0.000 0.265 123 P C -0.886 176.443 177.300 0.049 0.000 1.193 123 P CA 0.016 63.142 63.100 0.043 0.000 0.765 123 P CB 0.419 32.133 31.700 0.025 0.000 0.823 124 E N 2.618 122.849 120.200 0.051 0.000 2.342 124 E HA 0.256 4.644 4.350 0.063 0.000 0.257 124 E C -0.481 176.145 176.600 0.044 0.000 1.150 124 E CA -0.967 55.470 56.400 0.060 0.000 0.926 124 E CB 0.678 30.420 29.700 0.070 0.000 1.074 124 E HN 0.247 nan 8.360 nan 0.000 0.449 125 R N 0.844 121.376 120.500 0.053 0.000 2.585 125 R HA -0.016 4.362 4.340 0.063 0.000 0.275 125 R C 1.293 177.627 176.300 0.056 0.000 1.018 125 R CA -0.393 55.736 56.100 0.048 0.000 1.072 125 R CB 0.210 30.559 30.300 0.081 0.000 0.953 125 R HN 0.566 nan 8.270 nan 0.000 0.419 126 I N 2.185 122.781 120.570 0.043 0.000 2.151 126 I HA -0.174 4.034 4.170 0.063 0.000 0.243 126 I C 1.274 177.440 176.117 0.082 0.000 1.080 126 I CA 1.618 62.953 61.300 0.057 0.000 1.339 126 I CB -1.167 36.870 38.000 0.061 0.000 1.039 126 I HN 0.401 nan 8.210 nan 0.000 0.409 127 V N -3.201 116.794 119.914 0.135 0.000 3.001 127 V HA 0.515 4.673 4.120 0.063 0.000 0.314 127 V C 0.394 176.649 176.094 0.269 0.000 1.099 127 V CA -0.849 61.558 62.300 0.178 0.000 0.989 127 V CB 1.760 33.755 31.823 0.287 0.000 1.040 127 V HN 0.452 nan 8.190 nan 0.000 0.434 128 H N 0.473 119.603 119.070 0.100 0.000 2.862 128 H HA -0.213 4.381 4.556 0.064 0.000 0.290 128 H C 1.506 176.881 175.328 0.078 0.000 1.211 128 H CA 0.744 56.845 56.048 0.089 0.000 1.140 128 H CB -1.236 28.567 29.762 0.068 0.000 1.341 128 H HN 1.158 nan 8.280 nan 0.000 0.392 129 A N 0.755 123.663 122.820 0.147 0.000 1.972 129 A HA -0.109 4.249 4.320 0.063 0.000 0.219 129 A C 1.742 179.417 177.584 0.152 0.000 1.169 129 A CA 1.298 53.413 52.037 0.130 0.000 0.635 129 A CB -0.067 18.988 19.000 0.091 0.000 0.810 129 A HN 0.244 nan 8.150 nan 0.000 0.446 130 R N 0.498 121.088 120.500 0.151 0.000 2.220 130 R HA 0.494 4.872 4.340 0.063 0.000 0.340 130 R C -0.138 176.293 176.300 0.218 0.000 1.076 130 R CA 0.587 56.795 56.100 0.180 0.000 0.920 130 R CB -0.035 30.357 30.300 0.153 0.000 1.062 130 R HN 0.302 nan 8.270 nan 0.000 0.469 131 G N 0.952 109.904 108.800 0.254 0.000 2.690 131 G HA2 0.529 4.527 3.960 0.063 0.000 0.293 131 G HA3 0.529 4.527 3.960 0.063 0.000 0.293 131 G C -1.523 173.546 174.900 0.282 0.000 1.399 131 G CA -0.591 44.632 45.100 0.204 0.000 0.890 131 G HN 0.474 nan 8.290 nan 0.000 0.485 132 S N -0.809 115.013 115.700 0.204 0.000 2.532 132 S HA 0.857 5.365 4.470 0.063 0.000 0.299 132 S C -0.089 174.541 174.600 0.050 0.000 1.105 132 S CA -0.346 58.022 58.200 0.281 0.000 1.018 132 S CB 1.725 65.204 63.200 0.465 0.000 1.021 132 S HN 1.366 nan 8.310 nan 0.000 0.483 133 A N 1.730 124.533 122.820 -0.028 0.000 2.423 133 A HA 1.025 5.383 4.320 0.063 0.000 0.304 133 A C -0.724 176.710 177.584 -0.250 0.000 1.104 133 A CA -0.786 51.042 52.037 -0.349 0.000 0.757 133 A CB 1.578 20.192 19.000 -0.643 0.000 1.313 133 A HN 1.248 nan 8.150 nan 0.000 0.423 134 A N 0.452 122.991 122.820 -0.467 0.000 2.594 134 A HA 0.751 5.109 4.320 0.063 0.000 0.291 134 A C -1.024 176.421 177.584 -0.231 0.000 1.105 134 A CA -0.644 51.265 52.037 -0.213 0.000 0.694 134 A CB 0.811 19.761 19.000 -0.084 0.000 1.291 134 A HN 0.886 nan 8.150 nan 0.000 0.410 135 H N -0.487 118.631 119.070 0.080 0.000 2.496 135 H HA 0.693 5.287 4.556 0.063 0.000 0.342 135 H C 0.525 175.873 175.328 0.033 0.000 1.170 135 H CA 0.609 56.754 56.048 0.161 0.000 1.274 135 H CB 1.908 31.756 29.762 0.144 0.000 1.538 135 H HN 1.104 nan 8.280 nan 0.000 0.542 136 G N 0.485 109.398 108.800 0.190 0.000 2.578 136 G HA2 0.379 4.377 3.960 0.063 0.000 0.302 136 G HA3 0.379 4.377 3.960 0.063 0.000 0.302 136 G C -2.063 172.975 174.900 0.230 0.000 1.243 136 G CA -0.711 44.458 45.100 0.114 0.000 0.843 136 G HN 0.629 nan 8.290 nan 0.000 0.486 137 Y N -1.770 118.572 120.300 0.071 0.000 2.571 137 Y HA 0.833 5.421 4.550 0.063 0.000 0.341 137 Y C -1.628 174.412 175.900 0.233 0.000 1.076 137 Y CA -1.889 56.295 58.100 0.139 0.000 1.029 137 Y CB 1.909 40.422 38.460 0.087 0.000 1.308 137 Y HN 0.775 nan 8.280 nan 0.000 0.461 138 F N 2.067 122.164 119.950 0.246 0.000 2.577 138 F HA 0.722 5.288 4.527 0.065 0.000 0.318 138 F C -1.254 174.735 175.800 0.315 0.000 1.065 138 F CA -0.687 57.463 58.000 0.251 0.000 0.929 138 F CB 2.407 41.692 39.000 0.474 0.000 1.237 138 F HN 0.777 nan 8.300 nan 0.000 0.468 139 Q N 5.938 125.161 119.800 -0.961 0.000 2.281 139 Q HA 0.403 4.781 4.340 0.063 0.000 0.263 139 Q C -2.912 172.447 176.000 -1.068 0.000 0.989 139 Q CA -2.303 53.106 55.803 -0.656 0.000 0.852 139 Q CB 2.887 31.526 28.738 -0.165 0.000 1.337 139 Q HN 0.339 nan 8.270 nan 0.000 0.418 140 P HA 0.034 nan 4.420 nan 0.000 0.274 140 P C -0.411 176.738 177.300 -0.250 0.000 1.231 140 P CA 0.184 63.032 63.100 -0.419 0.000 0.790 140 P CB 0.553 32.185 31.700 -0.114 0.000 0.951 141 Y N 0.853 121.093 120.300 -0.101 0.000 2.263 141 Y HA -0.073 4.515 4.550 0.064 0.000 0.292 141 Y C 1.489 177.362 175.900 -0.045 0.000 1.130 141 Y CA 0.626 58.688 58.100 -0.063 0.000 1.179 141 Y CB 0.159 38.591 38.460 -0.047 0.000 0.998 141 Y HN 0.364 nan 8.280 nan 0.000 0.532 142 K N -1.162 119.296 120.400 0.097 0.000 2.522 142 K HA 0.423 4.781 4.320 0.063 0.000 0.275 142 K C -0.898 175.708 176.600 0.010 0.000 1.006 142 K CA -0.961 55.356 56.287 0.050 0.000 0.890 142 K CB 1.590 34.121 32.500 0.051 0.000 1.475 142 K HN -0.257 nan 8.250 nan 0.000 0.441 143 S N 0.664 116.367 115.700 0.005 0.000 2.549 143 S HA 0.154 4.662 4.470 0.063 0.000 0.286 143 S C 0.298 174.888 174.600 -0.015 0.000 1.314 143 S CA -0.591 57.602 58.200 -0.011 0.000 1.062 143 S CB -0.162 63.035 63.200 -0.006 0.000 0.865 143 S HN 0.541 nan 8.310 nan 0.000 0.498 144 L N 4.714 125.917 121.223 -0.033 0.000 3.062 144 L HA 0.167 4.545 4.340 0.063 0.000 0.255 144 L C 1.872 178.725 176.870 -0.029 0.000 1.274 144 L CA -0.133 54.695 54.840 -0.021 0.000 1.047 144 L CB -0.065 41.988 42.059 -0.009 0.000 1.402 144 L HN 0.843 nan 8.230 nan 0.000 0.550 145 S N -2.029 113.653 115.700 -0.030 0.000 2.447 145 S HA -0.157 4.351 4.470 0.063 0.000 0.233 145 S C 1.243 175.825 174.600 -0.031 0.000 1.006 145 S CA 0.924 59.103 58.200 -0.034 0.000 0.957 145 S CB -0.090 63.094 63.200 -0.026 0.000 0.773 145 S HN 0.398 nan 8.310 nan 0.000 0.507 146 D N 2.255 122.643 120.400 -0.021 0.000 2.178 146 D HA -0.004 4.674 4.640 0.063 0.000 0.202 146 D C 1.885 178.166 176.300 -0.031 0.000 0.974 146 D CA 1.486 55.474 54.000 -0.021 0.000 0.841 146 D CB -0.234 40.559 40.800 -0.010 0.000 0.953 146 D HN 0.788 nan 8.370 nan 0.000 0.478 147 I N -3.692 116.860 120.570 -0.030 0.000 4.035 147 I HA 0.209 4.417 4.170 0.063 0.000 0.321 147 I C 0.444 176.514 176.117 -0.078 0.000 1.289 147 I CA 0.090 61.362 61.300 -0.047 0.000 1.236 147 I CB 1.027 39.018 38.000 -0.015 0.000 1.076 147 I HN -0.239 nan 8.210 nan 0.000 0.418 148 T N 1.571 116.081 114.554 -0.072 0.000 2.982 148 T HA 0.315 4.703 4.350 0.063 0.000 0.321 148 T C -0.144 174.496 174.700 -0.099 0.000 1.229 148 T CA -0.731 61.306 62.100 -0.105 0.000 1.044 148 T CB 1.740 70.532 68.868 -0.128 0.000 1.184 148 T HN 0.437 nan 8.240 nan 0.000 0.477 149 K N 2.508 122.848 120.400 -0.100 0.000 2.437 149 K HA 0.608 4.966 4.320 0.063 0.000 0.198 149 K C 0.690 177.243 176.600 -0.078 0.000 1.024 149 K CA -0.391 55.850 56.287 -0.077 0.000 1.148 149 K CB 0.305 32.767 32.500 -0.063 0.000 0.860 149 K HN 0.492 nan 8.250 nan 0.000 0.515 150 A N 1.941 124.687 122.820 -0.125 0.000 2.524 150 A HA -0.042 4.316 4.320 0.063 0.000 0.250 150 A C 0.548 178.074 177.584 -0.098 0.000 1.078 150 A CA 0.006 51.974 52.037 -0.116 0.000 0.761 150 A CB 0.130 18.978 19.000 -0.254 0.000 1.012 150 A HN 0.452 nan 8.150 nan 0.000 0.500 151 D N 2.084 122.511 120.400 0.045 0.000 2.123 151 D HA -0.233 4.445 4.640 0.063 0.000 0.196 151 D C 1.369 177.737 176.300 0.114 0.000 0.992 151 D CA 2.314 56.361 54.000 0.078 0.000 0.833 151 D CB -0.251 40.621 40.800 0.121 0.000 0.954 151 D HN 0.737 nan 8.370 nan 0.000 0.455 152 F N -0.730 119.242 119.950 0.036 0.000 2.641 152 F HA 0.136 4.702 4.527 0.064 0.000 0.298 152 F C 1.019 176.909 175.800 0.151 0.000 1.146 152 F CA 0.398 58.461 58.000 0.105 0.000 1.464 152 F CB -0.238 38.817 39.000 0.091 0.000 1.101 152 F HN -0.054 nan 8.300 nan 0.000 0.585 153 L N 0.642 121.573 121.223 -0.487 0.000 2.857 153 L HA 0.215 4.593 4.340 0.063 0.000 0.249 153 L C 1.911 178.691 176.870 -0.149 0.000 1.172 153 L CA 0.358 54.991 54.840 -0.345 0.000 0.980 153 L CB 0.033 41.763 42.059 -0.549 0.000 1.299 153 L HN 0.307 nan 8.230 nan 0.000 0.535 154 S N -2.230 113.422 115.700 -0.081 0.000 2.503 154 S HA 0.036 4.544 4.470 0.063 0.000 0.217 154 S C 0.432 175.028 174.600 -0.007 0.000 0.999 154 S CA -0.023 58.154 58.200 -0.038 0.000 0.914 154 S CB 0.175 63.364 63.200 -0.018 0.000 0.782 154 S HN 0.350 nan 8.310 nan 0.000 0.520 155 D N 0.728 121.135 120.400 0.012 0.000 2.970 155 D HA 0.362 5.041 4.640 0.063 0.000 0.230 155 D C -2.480 173.833 176.300 0.023 0.000 1.276 155 D CA -2.019 51.993 54.000 0.021 0.000 0.910 155 D CB 2.218 43.038 40.800 0.033 0.000 1.590 155 D HN -0.150 nan 8.370 nan 0.000 0.551 156 P HA -0.045 nan 4.420 nan 0.000 0.222 156 P C 0.337 177.650 177.300 0.022 0.000 1.147 156 P CA 0.734 63.843 63.100 0.015 0.000 0.790 156 P CB 0.417 32.137 31.700 0.033 0.000 0.780 157 N N -0.472 118.247 118.700 0.031 0.000 2.238 157 N HA 0.080 4.858 4.740 0.063 0.000 0.222 157 N C 0.163 175.700 175.510 0.045 0.000 1.133 157 N CA 0.081 53.151 53.050 0.034 0.000 0.854 157 N CB 0.642 39.146 38.487 0.028 0.000 1.041 157 N HN 0.237 nan 8.380 nan 0.000 0.510 158 K N 1.204 121.641 120.400 0.061 0.000 2.316 158 K HA 0.421 4.779 4.320 0.063 0.000 0.267 158 K C -0.435 176.248 176.600 0.138 0.000 1.025 158 K CA -0.371 55.972 56.287 0.092 0.000 0.896 158 K CB 1.428 33.987 32.500 0.099 0.000 1.124 158 K HN -0.055 nan 8.250 nan 0.000 0.451 159 I N 2.100 122.754 120.570 0.139 0.000 2.440 159 I HA 0.160 4.368 4.170 0.063 0.000 0.294 159 I C 0.032 176.312 176.117 0.273 0.000 0.995 159 I CA -0.146 61.275 61.300 0.201 0.000 1.306 159 I CB 1.875 39.948 38.000 0.121 0.000 1.407 159 I HN 0.443 nan 8.210 nan 0.000 0.501 160 T N 6.894 121.694 114.554 0.410 0.000 2.815 160 T HA 0.359 4.747 4.350 0.063 0.000 0.289 160 T C -2.538 172.425 174.700 0.439 0.000 1.000 160 T CA -1.389 60.979 62.100 0.447 0.000 0.958 160 T CB 1.462 70.696 68.868 0.611 0.000 0.944 160 T HN 0.223 nan 8.240 nan 0.000 0.442 161 P HA 0.226 nan 4.420 nan 0.000 0.268 161 P C -0.477 177.066 177.300 0.406 0.000 1.205 161 P CA -0.375 62.916 63.100 0.320 0.000 0.771 161 P CB 0.462 32.261 31.700 0.165 0.000 0.858 162 V N 0.421 120.511 119.914 0.294 0.000 3.001 162 V HA 0.744 4.902 4.120 0.063 0.000 0.314 162 V C -1.186 175.079 176.094 0.285 0.000 1.099 162 V CA -0.990 61.389 62.300 0.131 0.000 0.989 162 V CB 2.210 33.903 31.823 -0.217 0.000 1.040 162 V HN 0.319 nan 8.190 nan 0.000 0.434 163 F N 2.072 122.016 119.950 -0.010 0.000 2.536 163 F HA 0.829 5.394 4.527 0.062 0.000 0.322 163 F C -0.879 174.826 175.800 -0.158 0.000 1.144 163 F CA -0.764 57.165 58.000 -0.119 0.000 0.924 163 F CB 1.924 40.864 39.000 -0.101 0.000 1.181 163 F HN 0.518 nan 8.300 nan 0.000 0.438 164 V N 6.564 126.038 119.914 -0.734 0.000 2.555 164 V HA 0.579 4.737 4.120 0.063 0.000 0.302 164 V C -0.683 174.784 176.094 -1.044 0.000 1.038 164 V CA -0.847 60.958 62.300 -0.824 0.000 0.887 164 V CB 2.003 33.301 31.823 -0.875 0.000 0.991 164 V HN 0.721 nan 8.190 nan 0.000 0.434 165 R N 3.409 123.287 120.500 -1.037 0.000 2.439 165 R HA 0.599 4.977 4.340 0.063 0.000 0.310 165 R C -1.619 174.104 176.300 -0.961 0.000 0.955 165 R CA -0.412 55.175 56.100 -0.855 0.000 0.853 165 R CB 1.066 31.040 30.300 -0.544 0.000 1.171 165 R HN 0.558 nan 8.270 nan 0.000 0.449 166 F N 2.062 121.601 119.950 -0.684 0.000 2.397 166 F HA 0.504 5.070 4.527 0.065 0.000 0.331 166 F C 0.689 176.137 175.800 -0.586 0.000 1.090 166 F CA -0.032 57.435 58.000 -0.889 0.000 1.065 166 F CB 2.031 39.976 39.000 -1.759 0.000 1.184 166 F HN 0.614 nan 8.300 nan 0.000 0.499 167 S N -0.785 114.841 115.700 -0.123 0.000 2.752 167 S HA 0.738 5.246 4.470 0.063 0.000 0.284 167 S C -0.620 174.121 174.600 0.235 0.000 1.189 167 S CA -0.748 57.524 58.200 0.120 0.000 0.835 167 S CB 1.523 64.836 63.200 0.188 0.000 1.192 167 S HN 0.676 nan 8.310 nan 0.000 0.506 168 T N -1.981 112.702 114.554 0.214 0.000 2.876 168 T HA 0.746 5.134 4.350 0.063 0.000 0.277 168 T C 0.691 175.373 174.700 -0.030 0.000 0.997 168 T CA -0.301 61.894 62.100 0.158 0.000 0.966 168 T CB 0.731 69.697 68.868 0.162 0.000 1.312 168 T HN 0.539 nan 8.240 nan 0.000 0.598 169 V N -0.051 119.808 119.914 -0.092 0.000 2.840 169 V HA 0.091 4.249 4.120 0.063 0.000 0.234 169 V C 2.800 178.819 176.094 -0.125 0.000 1.159 169 V CA 0.404 62.531 62.300 -0.289 0.000 1.194 169 V CB -0.456 31.289 31.823 -0.129 0.000 0.971 169 V HN 0.865 nan 8.190 nan 0.000 0.494 170 Q N 1.042 120.804 119.800 -0.063 0.000 2.020 170 Q HA 0.005 4.383 4.340 0.063 0.000 0.198 170 Q C 1.333 177.311 176.000 -0.038 0.000 0.974 170 Q CA 1.518 57.282 55.803 -0.065 0.000 0.829 170 Q CB -0.542 28.145 28.738 -0.086 0.000 0.894 170 Q HN 0.594 nan 8.270 nan 0.000 0.433 171 G N -0.188 108.605 108.800 -0.012 0.000 2.664 171 G HA2 0.323 4.321 3.960 0.063 0.000 0.242 171 G HA3 0.323 4.321 3.960 0.063 0.000 0.242 171 G C 0.193 175.103 174.900 0.016 0.000 1.225 171 G CA 0.089 45.189 45.100 -0.001 0.000 0.849 171 G HN 0.362 nan 8.290 nan 0.000 0.581 172 G N -1.076 107.730 108.800 0.009 0.000 2.653 172 G HA2 0.477 4.475 3.960 0.063 0.000 0.265 172 G HA3 0.477 4.475 3.960 0.063 0.000 0.265 172 G C 1.319 176.249 174.900 0.050 0.000 1.237 172 G CA 0.439 45.553 45.100 0.022 0.000 0.946 172 G HN 1.085 nan 8.290 nan 0.000 0.522 173 A N -0.646 122.213 122.820 0.065 0.000 2.019 173 A HA 0.132 4.490 4.320 0.063 0.000 0.219 173 A C 2.278 179.899 177.584 0.061 0.000 1.164 173 A CA 1.924 54.018 52.037 0.094 0.000 0.644 173 A CB -0.429 18.645 19.000 0.123 0.000 0.805 173 A HN 1.090 nan 8.150 nan 0.000 0.449 174 G N -0.036 108.781 108.800 0.029 0.000 3.181 174 G HA2 0.305 4.303 3.960 0.063 0.000 0.219 174 G HA3 0.305 4.303 3.960 0.063 0.000 0.219 174 G C 0.752 175.654 174.900 0.004 0.000 1.182 174 G CA 0.645 45.748 45.100 0.005 0.000 0.791 174 G HN 0.654 nan 8.290 nan 0.000 0.537 175 S N -0.286 115.427 115.700 0.020 0.000 2.661 175 S HA 0.748 5.256 4.470 0.063 0.000 0.265 175 S C 0.432 175.048 174.600 0.027 0.000 1.225 175 S CA -0.151 58.058 58.200 0.015 0.000 0.986 175 S CB 1.532 64.743 63.200 0.018 0.000 1.008 175 S HN 0.512 nan 8.310 nan 0.000 0.565 176 A N 0.029 122.862 122.820 0.021 0.000 2.286 176 A HA 0.459 4.818 4.320 0.063 0.000 0.286 176 A C 0.515 178.129 177.584 0.049 0.000 1.097 176 A CA -0.587 51.461 52.037 0.018 0.000 0.821 176 A CB -0.052 18.941 19.000 -0.013 0.000 1.076 176 A HN 0.840 nan 8.150 nan 0.000 0.490 177 D N 0.331 120.751 120.400 0.033 0.000 2.137 177 D HA -0.053 4.625 4.640 0.063 0.000 0.202 177 D C 1.623 177.944 176.300 0.035 0.000 0.970 177 D CA 2.220 56.262 54.000 0.071 0.000 0.837 177 D CB -0.223 40.574 40.800 -0.005 0.000 0.981 177 D HN 0.669 nan 8.370 nan 0.000 0.475 178 T N -0.152 114.332 114.554 -0.117 0.000 3.406 178 T HA 0.278 4.666 4.350 0.063 0.000 0.244 178 T C 0.833 175.544 174.700 0.019 0.000 0.949 178 T CA -0.555 61.485 62.100 -0.101 0.000 0.926 178 T CB -0.988 67.718 68.868 -0.270 0.000 1.089 178 T HN -0.073 nan 8.240 nan 0.000 0.604 179 V N -1.313 118.660 119.914 0.098 0.000 3.264 179 V HA 0.473 4.631 4.120 0.063 0.000 0.304 179 V C 0.648 176.898 176.094 0.260 0.000 1.086 179 V CA -1.478 60.924 62.300 0.170 0.000 1.090 179 V CB 0.532 32.440 31.823 0.141 0.000 1.112 179 V HN 0.533 nan 8.190 nan 0.000 0.472 180 R N 1.523 122.227 120.500 0.341 0.000 2.216 180 R HA 0.494 4.873 4.340 0.063 0.000 0.332 180 R C -1.017 175.373 176.300 0.150 0.000 1.056 180 R CA -0.072 56.183 56.100 0.258 0.000 0.901 180 R CB 0.162 30.551 30.300 0.148 0.000 1.039 180 R HN 1.062 nan 8.270 nan 0.000 0.456 181 D N 3.213 123.708 120.400 0.159 0.000 2.755 181 D HA 0.181 4.859 4.640 0.063 0.000 0.277 181 D C -0.695 175.719 176.300 0.189 0.000 1.261 181 D CA -0.600 53.483 54.000 0.137 0.000 0.759 181 D CB 1.178 42.049 40.800 0.119 0.000 1.279 181 D HN 0.227 nan 8.370 nan 0.000 0.420 182 I N 1.267 121.968 120.570 0.218 0.000 2.823 182 I HA 0.277 4.485 4.170 0.063 0.000 0.290 182 I C 0.825 177.079 176.117 0.228 0.000 1.091 182 I CA -0.129 61.310 61.300 0.231 0.000 1.365 182 I CB 0.192 38.366 38.000 0.291 0.000 1.427 182 I HN 0.247 nan 8.210 nan 0.000 0.583 183 R N 2.547 123.198 120.500 0.252 0.000 2.589 183 R HA 0.567 4.945 4.340 0.063 0.000 0.293 183 R C -0.113 176.364 176.300 0.295 0.000 0.963 183 R CA -0.716 55.546 56.100 0.270 0.000 0.905 183 R CB 1.620 32.095 30.300 0.290 0.000 1.144 183 R HN 0.813 nan 8.270 nan 0.000 0.459 184 G N 1.005 109.994 108.800 0.315 0.000 2.400 184 G HA2 0.498 4.496 3.960 0.063 0.000 0.301 184 G HA3 0.498 4.496 3.960 0.063 0.000 0.301 184 G C -1.306 173.645 174.900 0.084 0.000 1.154 184 G CA -0.097 45.170 45.100 0.279 0.000 0.852 184 G HN 0.354 nan 8.290 nan 0.000 0.511 185 F N 2.053 121.887 119.950 -0.193 0.000 2.949 185 F HA 0.641 5.205 4.527 0.063 0.000 0.376 185 F C -0.127 175.358 175.800 -0.524 0.000 1.205 185 F CA -1.878 55.889 58.000 -0.387 0.000 1.155 185 F CB 1.008 39.892 39.000 -0.193 0.000 1.495 185 F HN 0.642 nan 8.300 nan 0.000 0.551 186 A N 3.297 125.823 122.820 -0.490 0.000 2.288 186 A HA 0.772 5.130 4.320 0.063 0.000 0.320 186 A C -0.497 176.612 177.584 -0.791 0.000 1.217 186 A CA -0.390 51.182 52.037 -0.774 0.000 0.840 186 A CB 0.684 18.830 19.000 -1.424 0.000 1.179 186 A HN 0.525 nan 8.150 nan 0.000 0.504 187 T N 2.340 116.586 114.554 -0.513 0.000 2.812 187 T HA 0.405 4.793 4.350 0.063 0.000 0.282 187 T C -0.324 174.182 174.700 -0.323 0.000 0.990 187 T CA -0.503 61.315 62.100 -0.471 0.000 0.960 187 T CB 1.130 69.661 68.868 -0.561 0.000 0.948 187 T HN 0.639 nan 8.240 nan 0.000 0.438 188 K N 3.371 123.667 120.400 -0.172 0.000 2.263 188 K HA 0.444 4.802 4.320 0.063 0.000 0.272 188 K C -1.305 174.958 176.600 -0.562 0.000 1.033 188 K CA -0.605 55.496 56.287 -0.309 0.000 0.884 188 K CB 0.375 32.649 32.500 -0.377 0.000 1.107 188 K HN 0.412 nan 8.250 nan 0.000 0.460 189 F N 4.460 124.123 119.950 -0.479 0.000 2.391 189 F HA 0.237 4.801 4.527 0.062 0.000 0.359 189 F C -0.457 175.134 175.800 -0.348 0.000 1.122 189 F CA -0.588 57.192 58.000 -0.366 0.000 1.120 189 F CB 0.678 39.376 39.000 -0.504 0.000 1.142 189 F HN 0.449 nan 8.300 nan 0.000 0.483 190 Y N 1.935 122.291 120.300 0.094 0.000 2.636 190 Y HA 0.233 4.821 4.550 0.064 0.000 0.341 190 Y C 1.027 176.987 175.900 0.100 0.000 1.169 190 Y CA -0.863 57.277 58.100 0.067 0.000 1.498 190 Y CB -0.214 38.274 38.460 0.048 0.000 1.362 190 Y HN 0.538 nan 8.280 nan 0.000 0.494 191 T N -2.378 112.278 114.554 0.169 0.000 2.862 191 T HA 0.195 4.583 4.350 0.063 0.000 0.276 191 T C 0.958 175.757 174.700 0.164 0.000 0.974 191 T CA -0.779 61.428 62.100 0.179 0.000 0.966 191 T CB 1.114 70.067 68.868 0.142 0.000 1.072 191 T HN 0.638 nan 8.240 nan 0.000 0.538 192 E N -0.052 120.248 120.200 0.166 0.000 2.418 192 E HA -0.036 4.352 4.350 0.063 0.000 0.197 192 E C 0.893 177.562 176.600 0.115 0.000 1.026 192 E CA 0.673 57.152 56.400 0.131 0.000 0.862 192 E CB 0.113 29.884 29.700 0.120 0.000 0.799 192 E HN 0.726 nan 8.360 nan 0.000 0.518 193 E N 0.218 120.490 120.200 0.120 0.000 2.734 193 E HA 0.269 4.657 4.350 0.063 0.000 0.211 193 E C 0.134 176.789 176.600 0.092 0.000 0.991 193 E CA -0.238 56.225 56.400 0.105 0.000 1.065 193 E CB 1.349 31.113 29.700 0.108 0.000 1.047 193 E HN 0.182 nan 8.360 nan 0.000 0.470 194 G N 1.121 109.971 108.800 0.082 0.000 2.357 194 G HA2 -0.094 3.904 3.960 0.063 0.000 0.643 194 G HA3 -0.094 3.904 3.960 0.063 0.000 0.643 194 G C -0.958 173.958 174.900 0.027 0.000 1.358 194 G CA -1.109 44.017 45.100 0.044 0.000 0.986 194 G HN 0.025 nan 8.290 nan 0.000 0.620 195 I N 0.589 121.140 120.570 -0.032 0.000 2.496 195 I HA 0.409 4.617 4.170 0.063 0.000 0.285 195 I C -0.106 176.025 176.117 0.023 0.000 1.080 195 I CA -0.021 61.233 61.300 -0.076 0.000 1.404 195 I CB 0.966 38.854 38.000 -0.187 0.000 1.403 195 I HN 0.461 nan 8.210 nan 0.000 0.539 196 F N 6.554 126.398 119.950 -0.176 0.000 2.460 196 F HA 0.435 4.998 4.527 0.061 0.000 0.341 196 F C -0.647 175.111 175.800 -0.071 0.000 1.130 196 F CA -1.217 56.671 58.000 -0.186 0.000 0.962 196 F CB 0.782 39.509 39.000 -0.455 0.000 1.171 196 F HN 0.334 nan 8.300 nan 0.000 0.436 197 D N 7.049 127.242 120.400 -0.344 0.000 2.329 197 D HA 0.232 4.910 4.640 0.063 0.000 0.232 197 D C -0.569 175.265 176.300 -0.777 0.000 1.088 197 D CA 0.028 53.779 54.000 -0.415 0.000 0.835 197 D CB 2.279 43.033 40.800 -0.075 0.000 1.078 197 D HN 0.628 nan 8.370 nan 0.000 0.495 198 L N 3.418 124.120 121.223 -0.867 0.000 2.287 198 L HA 0.240 4.618 4.340 0.063 0.000 0.280 198 L C -0.851 175.782 176.870 -0.395 0.000 1.055 198 L CA -0.608 53.790 54.840 -0.736 0.000 0.863 198 L CB 0.523 42.178 42.059 -0.674 0.000 1.245 198 L HN 0.052 nan 8.230 nan 0.000 0.432 199 V N 5.182 124.906 119.914 -0.316 0.000 2.270 199 V HA 0.495 4.653 4.120 0.063 0.000 0.263 199 V C 0.832 176.823 176.094 -0.171 0.000 1.066 199 V CA -0.256 61.873 62.300 -0.285 0.000 0.857 199 V CB 0.319 31.941 31.823 -0.336 0.000 1.099 199 V HN 0.806 nan 8.190 nan 0.000 0.476 200 G N 2.739 111.453 108.800 -0.143 0.000 3.119 200 G HA2 0.938 4.936 3.960 0.063 0.000 0.206 200 G HA3 0.938 4.936 3.960 0.063 0.000 0.206 200 G C -0.662 174.265 174.900 0.044 0.000 1.313 200 G CA -0.124 44.950 45.100 -0.043 0.000 1.010 200 G HN 0.963 nan 8.290 nan 0.000 0.578 201 A N -1.175 121.723 122.820 0.131 0.000 2.567 201 A HA 0.610 4.968 4.320 0.063 0.000 0.289 201 A C 0.176 177.951 177.584 0.317 0.000 1.177 201 A CA -0.105 52.065 52.037 0.221 0.000 0.694 201 A CB 1.180 20.285 19.000 0.174 0.000 1.292 201 A HN 0.815 nan 8.150 nan 0.000 0.425 202 N N -0.140 118.753 118.700 0.321 0.000 2.322 202 N HA 0.069 4.847 4.740 0.063 0.000 0.194 202 N C -0.021 175.726 175.510 0.396 0.000 1.126 202 N CA 0.914 54.205 53.050 0.402 0.000 0.845 202 N CB 0.198 38.893 38.487 0.346 0.000 0.976 202 N HN 0.810 nan 8.380 nan 0.000 0.475 203 T N -3.397 111.208 114.554 0.085 0.000 2.900 203 T HA 0.440 4.828 4.350 0.063 0.000 0.295 203 T C -2.608 171.500 174.700 -0.986 0.000 1.044 203 T CA -1.602 60.122 62.100 -0.627 0.000 0.995 203 T CB 3.014 71.419 68.868 -0.770 0.000 1.072 203 T HN -0.250 nan 8.240 nan 0.000 0.473 204 P HA 0.181 nan 4.420 nan 0.000 0.245 204 P C 0.439 177.234 177.300 -0.841 0.000 1.212 204 P CA 0.114 62.322 63.100 -1.488 0.000 0.774 204 P CB -0.084 30.637 31.700 -1.633 0.000 0.999 205 I N -4.380 115.679 120.570 -0.851 0.000 3.264 205 I HA 0.559 4.768 4.170 0.063 0.000 0.315 205 I C -1.333 174.519 176.117 -0.442 0.000 1.154 205 I CA -2.091 58.855 61.300 -0.589 0.000 0.962 205 I CB 1.399 39.018 38.000 -0.635 0.000 1.265 205 I HN -0.239 nan 8.210 nan 0.000 0.463 206 F N 0.648 120.328 119.950 -0.449 0.000 2.613 206 F HA 0.520 5.087 4.527 0.066 0.000 0.342 206 F C 0.303 175.878 175.800 -0.374 0.000 1.066 206 F CA -0.739 57.040 58.000 -0.368 0.000 1.002 206 F CB 1.848 40.758 39.000 -0.149 0.000 1.319 206 F HN 0.382 nan 8.300 nan 0.000 0.495 207 F N 2.237 121.402 119.950 -1.308 0.000 2.259 207 F HA 0.040 4.605 4.527 0.062 0.000 0.298 207 F C 0.724 176.224 175.800 -0.499 0.000 1.088 207 F CA 0.758 58.195 58.000 -0.939 0.000 1.358 207 F CB -0.240 37.835 39.000 -1.542 0.000 1.040 207 F HN 0.140 nan 8.300 nan 0.000 0.505 208 I N -3.115 117.409 120.570 -0.078 0.000 2.957 208 I HA 0.382 4.590 4.170 0.063 0.000 0.310 208 I C 0.447 176.703 176.117 0.231 0.000 1.063 208 I CA -0.844 60.533 61.300 0.128 0.000 1.033 208 I CB 1.852 39.987 38.000 0.225 0.000 1.230 208 I HN -0.140 nan 8.210 nan 0.000 0.447 209 Q N 0.282 120.220 119.800 0.230 0.000 2.259 209 Q HA 0.128 4.506 4.340 0.063 0.000 0.201 209 Q C -0.225 175.937 176.000 0.270 0.000 0.938 209 Q CA 0.613 56.591 55.803 0.291 0.000 0.872 209 Q CB 0.437 29.414 28.738 0.398 0.000 0.971 209 Q HN 0.656 nan 8.270 nan 0.000 0.494 210 D N -1.006 119.526 120.400 0.219 0.000 2.362 210 D HA 0.305 4.983 4.640 0.063 0.000 0.247 210 D C 0.058 176.478 176.300 0.201 0.000 1.050 210 D CA -0.197 53.904 54.000 0.168 0.000 0.839 210 D CB 1.856 42.728 40.800 0.119 0.000 1.283 210 D HN 0.058 nan 8.370 nan 0.000 0.477 211 A N 3.372 126.284 122.820 0.152 0.000 2.024 211 A HA -0.239 4.119 4.320 0.063 0.000 0.220 211 A C 1.811 179.516 177.584 0.202 0.000 1.164 211 A CA 1.724 53.851 52.037 0.149 0.000 0.643 211 A CB -0.795 18.236 19.000 0.052 0.000 0.806 211 A HN 0.831 nan 8.150 nan 0.000 0.451 212 H N -0.001 119.128 119.070 0.099 0.000 2.457 212 H HA -0.030 4.563 4.556 0.061 0.000 0.297 212 H C 1.579 176.982 175.328 0.124 0.000 1.092 212 H CA 1.934 58.032 56.048 0.083 0.000 1.309 212 H CB 0.044 29.830 29.762 0.040 0.000 1.382 212 H HN 0.409 nan 8.280 nan 0.000 0.535 213 K N -0.595 119.925 120.400 0.200 0.000 2.404 213 K HA -0.034 4.324 4.320 0.063 0.000 0.194 213 K C 1.364 178.097 176.600 0.223 0.000 1.023 213 K CA -0.016 56.388 56.287 0.194 0.000 1.094 213 K CB 0.064 32.727 32.500 0.272 0.000 0.841 213 K HN 0.288 nan 8.250 nan 0.000 0.523 214 F N 2.967 122.971 119.950 0.089 0.000 2.091 214 F HA -0.179 4.387 4.527 0.063 0.000 0.299 214 F C -0.985 174.825 175.800 0.017 0.000 1.103 214 F CA 1.524 59.599 58.000 0.124 0.000 1.228 214 F CB -0.481 38.580 39.000 0.102 0.000 0.984 214 F HN 0.032 nan 8.300 nan 0.000 0.477 215 P HA -0.144 nan 4.420 nan 0.000 0.218 215 P C 0.988 177.950 177.300 -0.563 0.000 1.148 215 P CA 1.766 64.616 63.100 -0.417 0.000 0.822 215 P CB -0.081 31.401 31.700 -0.363 0.000 0.784 216 D N -1.297 118.928 120.400 -0.291 0.000 2.084 216 D HA -0.148 4.530 4.640 0.063 0.000 0.196 216 D C 1.823 177.824 176.300 -0.497 0.000 0.985 216 D CA 1.021 54.896 54.000 -0.209 0.000 0.826 216 D CB -0.886 39.964 40.800 0.083 0.000 0.978 216 D HN 0.148 nan 8.370 nan 0.000 0.456 217 F N 1.865 121.391 119.950 -0.707 0.000 2.075 217 F HA -0.234 4.331 4.527 0.062 0.000 0.297 217 F C 2.279 177.683 175.800 -0.660 0.000 1.113 217 F CA 1.204 58.600 58.000 -1.006 0.000 1.218 217 F CB -0.235 38.396 39.000 -0.615 0.000 0.984 217 F HN -0.246 nan 8.300 nan 0.000 0.472 218 V N 0.387 119.876 119.914 -0.708 0.000 2.343 218 V HA -0.351 3.807 4.120 0.063 0.000 0.247 218 V C 2.288 178.159 176.094 -0.371 0.000 1.051 218 V CA 2.479 64.403 62.300 -0.626 0.000 1.036 218 V CB -1.125 30.362 31.823 -0.560 0.000 0.654 218 V HN 0.486 nan 8.190 nan 0.000 0.451 219 H N -0.225 118.619 119.070 -0.377 0.000 2.387 219 H HA -0.129 4.465 4.556 0.063 0.000 0.299 219 H C 2.348 177.535 175.328 -0.234 0.000 1.090 219 H CA 1.043 56.949 56.048 -0.236 0.000 1.332 219 H CB 0.007 29.678 29.762 -0.151 0.000 1.386 219 H HN 0.486 nan 8.280 nan 0.000 0.516 220 A N 0.432 123.100 122.820 -0.253 0.000 1.933 220 A HA -0.125 4.233 4.320 0.063 0.000 0.218 220 A C 2.492 179.946 177.584 -0.217 0.000 1.175 220 A CA 1.543 53.425 52.037 -0.258 0.000 0.628 220 A CB -0.700 18.004 19.000 -0.494 0.000 0.814 220 A HN 0.312 nan 8.150 nan 0.000 0.444 221 V N -0.344 119.310 119.914 -0.432 0.000 2.878 221 V HA 0.027 4.185 4.120 0.063 0.000 0.250 221 V C 0.878 176.941 176.094 -0.051 0.000 1.075 221 V CA 0.621 62.729 62.300 -0.319 0.000 1.096 221 V CB -0.444 30.974 31.823 -0.675 0.000 0.724 221 V HN 0.343 nan 8.190 nan 0.000 0.467 222 K N 1.228 121.558 120.400 -0.116 0.000 2.187 222 K HA 0.208 4.566 4.320 0.063 0.000 0.247 222 K C -2.310 174.237 176.600 -0.088 0.000 1.019 222 K CA -1.582 54.653 56.287 -0.087 0.000 0.893 222 K CB -0.308 32.134 32.500 -0.096 0.000 1.025 222 K HN 0.159 nan 8.250 nan 0.000 0.500 223 P HA -0.065 nan 4.420 nan 0.000 0.261 223 P C -0.578 176.648 177.300 -0.124 0.000 1.173 223 P CA 0.563 63.520 63.100 -0.238 0.000 0.760 223 P CB 0.246 31.824 31.700 -0.204 0.000 0.783 224 E N 5.836 126.000 120.200 -0.060 0.000 2.413 224 E HA -0.040 4.348 4.350 0.063 0.000 0.263 224 E C -1.134 175.526 176.600 0.101 0.000 1.015 224 E CA -1.177 55.299 56.400 0.128 0.000 0.916 224 E CB 0.099 30.006 29.700 0.344 0.000 0.947 224 E HN 0.431 nan 8.360 nan 0.000 0.440 225 P HA -0.230 nan 4.420 nan 0.000 0.218 225 P C 1.047 178.415 177.300 0.113 0.000 1.149 225 P CA 1.529 64.668 63.100 0.065 0.000 0.817 225 P CB -0.012 31.703 31.700 0.025 0.000 0.785 226 H N -0.887 118.211 119.070 0.046 0.000 2.326 226 H HA -0.085 4.509 4.556 0.063 0.000 0.301 226 H C 1.609 177.025 175.328 0.148 0.000 1.081 226 H CA 1.512 57.577 56.048 0.028 0.000 1.334 226 H CB -1.425 28.284 29.762 -0.088 0.000 1.385 226 H HN 0.315 nan 8.280 nan 0.000 0.504 227 W N 0.201 121.093 121.300 -0.679 0.000 3.008 227 W HA 0.691 5.389 4.660 0.062 0.000 0.355 227 W C 0.475 176.816 176.519 -0.297 0.000 1.095 227 W CA -1.020 56.075 57.345 -0.418 0.000 1.738 227 W CB -0.732 28.478 29.460 -0.415 0.000 1.091 227 W HN 0.441 nan 8.180 nan 0.000 0.574 228 A N 1.304 124.099 122.820 -0.042 0.000 2.667 228 A HA -0.140 4.218 4.320 0.063 0.000 0.298 228 A C -0.432 176.929 177.584 -0.372 0.000 1.483 228 A CA 1.397 53.334 52.037 -0.166 0.000 0.738 228 A CB -2.386 16.542 19.000 -0.119 0.000 1.067 228 A HN 0.472 nan 8.150 nan 0.000 0.451 229 I N 0.550 120.761 120.570 -0.599 0.000 2.686 229 I HA 0.541 4.749 4.170 0.063 0.000 0.295 229 I C -2.508 173.305 176.117 -0.506 0.000 1.114 229 I CA -2.361 58.489 61.300 -0.750 0.000 1.038 229 I CB 3.027 40.100 38.000 -1.545 0.000 1.238 229 I HN 0.216 nan 8.210 nan 0.000 0.420 230 P HA 0.309 nan 4.420 nan 0.000 0.292 230 P C -1.552 175.596 177.300 -0.253 0.000 1.300 230 P CA -0.849 62.044 63.100 -0.345 0.000 0.900 230 P CB 1.534 33.114 31.700 -0.200 0.000 1.139 231 Q N 0.958 120.653 119.800 -0.176 0.000 2.288 231 Q HA 0.471 4.849 4.340 0.063 0.000 0.258 231 Q C 1.081 177.050 176.000 -0.052 0.000 0.957 231 Q CA 0.923 56.658 55.803 -0.112 0.000 0.919 231 Q CB -0.424 28.257 28.738 -0.095 0.000 1.185 231 Q HN 0.812 nan 8.270 nan 0.000 0.408 232 G N 3.486 112.264 108.800 -0.038 0.000 2.283 232 G HA2 -0.302 3.696 3.960 0.063 0.000 0.280 232 G HA3 -0.302 3.696 3.960 0.063 0.000 0.280 232 G C -0.445 174.477 174.900 0.035 0.000 1.029 232 G CA 0.665 45.766 45.100 0.003 0.000 0.840 232 G HN 0.557 nan 8.290 nan 0.000 0.505 233 Q N -1.183 118.631 119.800 0.022 0.000 2.315 233 Q HA 0.569 4.947 4.340 0.063 0.000 0.273 233 Q C 0.784 176.818 176.000 0.057 0.000 1.053 233 Q CA -0.165 55.683 55.803 0.074 0.000 0.817 233 Q CB 1.846 30.666 28.738 0.138 0.000 1.326 233 Q HN 0.450 nan 8.270 nan 0.000 0.423 234 S N -0.510 115.137 115.700 -0.089 0.000 2.535 234 S HA 0.204 4.712 4.470 0.063 0.000 0.214 234 S C 0.930 175.471 174.600 -0.097 0.000 0.980 234 S CA 0.018 57.932 58.200 -0.476 0.000 0.907 234 S CB 0.418 62.910 63.200 -1.181 0.000 0.790 234 S HN 0.596 nan 8.310 nan 0.000 0.510 235 A N 2.468 125.420 122.820 0.220 0.000 3.026 235 A HA 0.510 4.868 4.320 0.063 0.000 0.272 235 A C 0.076 177.872 177.584 0.354 0.000 1.782 235 A CA -0.471 51.764 52.037 0.330 0.000 1.451 235 A CB -1.354 17.745 19.000 0.165 0.000 1.081 235 A HN 0.895 nan 8.150 nan 0.000 0.611 236 H N -3.330 115.931 119.070 0.317 0.000 3.042 236 H HA 0.498 5.091 4.556 0.063 0.000 0.346 236 H C -0.182 175.330 175.328 0.307 0.000 1.294 236 H CA -0.699 55.493 56.048 0.240 0.000 1.141 236 H CB 0.252 30.119 29.762 0.174 0.000 1.872 236 H HN 0.100 nan 8.280 nan 0.000 0.541 237 D N 0.371 120.951 120.400 0.300 0.000 2.126 237 D HA -0.233 4.445 4.640 0.063 0.000 0.190 237 D C 2.121 178.502 176.300 0.136 0.000 1.001 237 D CA 3.386 57.498 54.000 0.188 0.000 0.841 237 D CB -0.341 40.542 40.800 0.139 0.000 0.949 237 D HN 0.806 nan 8.370 nan 0.000 0.446 238 T N -1.572 113.075 114.554 0.156 0.000 2.759 238 T HA -0.234 4.154 4.350 0.063 0.000 0.269 238 T C 1.917 176.584 174.700 -0.055 0.000 1.042 238 T CA 0.927 63.076 62.100 0.083 0.000 1.140 238 T CB -0.770 68.198 68.868 0.166 0.000 0.864 238 T HN 0.203 nan 8.240 nan 0.000 0.455 239 F N 0.615 120.280 119.950 -0.476 0.000 2.113 239 F HA 0.103 4.667 4.527 0.062 0.000 0.297 239 F C 1.871 177.422 175.800 -0.415 0.000 1.103 239 F CA 0.701 58.347 58.000 -0.590 0.000 1.248 239 F CB -0.504 37.947 39.000 -0.914 0.000 0.999 239 F HN 0.141 nan 8.300 nan 0.000 0.475 240 W N 0.620 121.878 121.300 -0.071 0.000 2.425 240 W HA -0.097 4.602 4.660 0.065 0.000 0.277 240 W C 2.257 178.709 176.519 -0.112 0.000 1.231 240 W CA 0.994 58.284 57.345 -0.092 0.000 1.248 240 W CB -0.546 28.930 29.460 0.027 0.000 1.117 240 W HN 0.078 nan 8.180 nan 0.000 0.568 241 D N -0.677 119.767 120.400 0.074 0.000 2.084 241 D HA -0.281 4.397 4.640 0.063 0.000 0.196 241 D C 1.889 178.189 176.300 0.001 0.000 0.985 241 D CA 1.415 55.442 54.000 0.046 0.000 0.826 241 D CB -0.597 40.240 40.800 0.062 0.000 0.978 241 D HN 0.175 nan 8.370 nan 0.000 0.456 242 Y N 0.480 120.682 120.300 -0.164 0.000 2.128 242 Y HA -0.229 4.359 4.550 0.063 0.000 0.284 242 Y C 2.275 178.036 175.900 -0.231 0.000 1.154 242 Y CA 1.645 59.629 58.100 -0.194 0.000 1.149 242 Y CB -0.395 37.910 38.460 -0.258 0.000 0.976 242 Y HN -0.101 nan 8.280 nan 0.000 0.505 243 V N 0.027 119.802 119.914 -0.231 0.000 2.332 243 V HA -0.335 3.823 4.120 0.063 0.000 0.248 243 V C 2.588 178.613 176.094 -0.115 0.000 1.055 243 V CA 2.165 64.317 62.300 -0.248 0.000 1.038 243 V CB -1.189 30.382 31.823 -0.421 0.000 0.651 243 V HN 0.664 nan 8.190 nan 0.000 0.450 244 S N -0.058 115.620 115.700 -0.037 0.000 2.419 244 S HA -0.076 4.432 4.470 0.063 0.000 0.233 244 S C 1.690 176.250 174.600 -0.067 0.000 1.016 244 S CA 1.413 59.617 58.200 0.007 0.000 0.974 244 S CB -0.454 62.782 63.200 0.061 0.000 0.786 244 S HN 0.552 nan 8.310 nan 0.000 0.492 245 L N 0.126 121.260 121.223 -0.148 0.000 2.607 245 L HA 0.341 4.719 4.340 0.063 0.000 0.228 245 L C 0.516 177.209 176.870 -0.295 0.000 1.123 245 L CA 0.075 54.804 54.840 -0.185 0.000 0.890 245 L CB 0.075 42.033 42.059 -0.168 0.000 1.103 245 L HN 0.230 nan 8.230 nan 0.000 0.468 246 Q N 0.180 119.759 119.800 -0.368 0.000 3.244 246 Q HA 0.228 4.607 4.340 0.063 0.000 0.249 246 Q C -1.903 173.868 176.000 -0.381 0.000 0.951 246 Q CA -1.467 54.074 55.803 -0.437 0.000 0.740 246 Q CB 1.468 29.821 28.738 -0.642 0.000 1.334 246 Q HN -0.021 nan 8.270 nan 0.000 0.448 247 P HA -0.258 nan 4.420 nan 0.000 0.218 247 P C 1.019 178.019 177.300 -0.500 0.000 1.146 247 P CA 1.381 64.209 63.100 -0.454 0.000 0.813 247 P CB 0.233 31.624 31.700 -0.514 0.000 0.778 248 E N 0.436 120.236 120.200 -0.666 0.000 2.219 248 E HA -0.196 4.192 4.350 0.063 0.000 0.198 248 E C 1.560 178.122 176.600 -0.063 0.000 0.998 248 E CA 1.889 58.173 56.400 -0.193 0.000 0.818 248 E CB -1.350 28.306 29.700 -0.073 0.000 0.741 248 E HN 0.320 nan 8.360 nan 0.000 0.477 249 T N -0.709 113.800 114.554 -0.074 0.000 3.035 249 T HA 0.023 4.411 4.350 0.063 0.000 0.268 249 T C 1.941 176.689 174.700 0.080 0.000 1.109 249 T CA 0.390 62.500 62.100 0.015 0.000 1.119 249 T CB -0.330 68.569 68.868 0.051 0.000 0.900 249 T HN 0.153 nan 8.240 nan 0.000 0.503 250 L N 0.185 121.466 121.223 0.095 0.000 2.042 250 L HA -0.132 4.246 4.340 0.063 0.000 0.210 250 L C 2.884 179.905 176.870 0.251 0.000 1.076 250 L CA 2.062 57.028 54.840 0.210 0.000 0.749 250 L CB -0.843 41.352 42.059 0.227 0.000 0.893 250 L HN 0.484 nan 8.230 nan 0.000 0.432 251 H N 0.066 119.177 119.070 0.067 0.000 2.290 251 H HA -0.222 4.372 4.556 0.064 0.000 0.298 251 H C 2.149 177.464 175.328 -0.022 0.000 1.087 251 H CA 1.935 58.018 56.048 0.060 0.000 1.291 251 H CB 0.157 29.928 29.762 0.016 0.000 1.369 251 H HN 0.374 nan 8.280 nan 0.000 0.492 252 N N -0.083 118.408 118.700 -0.348 0.000 2.309 252 N HA -0.121 4.657 4.740 0.063 0.000 0.182 252 N C 1.935 177.233 175.510 -0.355 0.000 1.018 252 N CA 0.656 53.293 53.050 -0.688 0.000 0.876 252 N CB 0.276 37.931 38.487 -1.386 0.000 0.972 252 N HN 0.133 nan 8.380 nan 0.000 0.434 253 V N 1.508 121.425 119.914 0.004 0.000 2.407 253 V HA -0.226 3.932 4.120 0.063 0.000 0.248 253 V C 2.467 178.653 176.094 0.153 0.000 1.055 253 V CA 1.148 63.593 62.300 0.242 0.000 1.049 253 V CB -0.317 31.713 31.823 0.345 0.000 0.662 253 V HN 0.387 nan 8.190 nan 0.000 0.455 254 M N -1.517 118.205 119.600 0.204 0.000 2.080 254 M HA -0.208 4.310 4.480 0.063 0.000 0.260 254 M C 2.061 178.305 176.300 -0.094 0.000 1.068 254 M CA 1.887 57.303 55.300 0.193 0.000 1.109 254 M CB -1.293 31.436 32.600 0.216 0.000 1.342 254 M HN 0.466 nan 8.290 nan 0.000 0.405 255 W N 0.381 121.366 121.300 -0.525 0.000 2.358 255 W HA -0.103 4.596 4.660 0.065 0.000 0.303 255 W C 2.767 179.193 176.519 -0.155 0.000 1.208 255 W CA 1.910 58.941 57.345 -0.525 0.000 1.274 255 W CB -1.043 28.063 29.460 -0.590 0.000 1.138 255 W HN 0.306 nan 8.180 nan 0.000 0.515 256 A N -0.662 122.220 122.820 0.103 0.000 1.902 256 A HA -0.205 4.153 4.320 0.063 0.000 0.217 256 A C 1.948 179.578 177.584 0.077 0.000 1.181 256 A CA 1.826 53.935 52.037 0.120 0.000 0.623 256 A CB -0.640 18.464 19.000 0.173 0.000 0.818 256 A HN 0.099 nan 8.150 nan 0.000 0.443 257 M N 0.735 120.334 119.600 -0.002 0.000 2.394 257 M HA 0.005 4.523 4.480 0.063 0.000 0.264 257 M C 1.526 177.872 176.300 0.076 0.000 1.073 257 M CA 0.820 56.071 55.300 -0.082 0.000 1.111 257 M CB -1.450 30.866 32.600 -0.473 0.000 1.401 257 M HN 0.564 nan 8.290 nan 0.000 0.448 258 S N 0.131 115.930 115.700 0.164 0.000 2.641 258 S HA 0.074 4.582 4.470 0.063 0.000 0.261 258 S C 0.783 175.520 174.600 0.229 0.000 1.257 258 S CA -0.418 57.926 58.200 0.241 0.000 0.983 258 S CB 0.821 64.212 63.200 0.319 0.000 0.990 258 S HN 0.201 nan 8.310 nan 0.000 0.572 259 D N 0.123 120.678 120.400 0.259 0.000 2.378 259 D HA 0.033 4.711 4.640 0.063 0.000 0.222 259 D C 1.825 178.278 176.300 0.255 0.000 0.980 259 D CA 0.323 54.497 54.000 0.290 0.000 0.907 259 D CB -0.154 40.886 40.800 0.399 0.000 0.899 259 D HN 0.378 nan 8.370 nan 0.000 0.527 260 R N 0.163 120.808 120.500 0.241 0.000 2.193 260 R HA -0.035 4.343 4.340 0.063 0.000 0.229 260 R C 2.020 178.481 176.300 0.267 0.000 1.110 260 R CA 0.871 57.138 56.100 0.277 0.000 0.988 260 R CB -0.686 29.845 30.300 0.385 0.000 0.871 260 R HN 0.171 nan 8.270 nan 0.000 0.458 261 G N 1.210 110.154 108.800 0.240 0.000 2.744 261 G HA2 -0.010 3.989 3.960 0.063 0.000 0.211 261 G HA3 -0.010 3.989 3.960 0.063 0.000 0.211 261 G C 1.006 176.051 174.900 0.242 0.000 1.143 261 G CA 0.085 45.318 45.100 0.221 0.000 0.788 261 G HN 0.407 nan 8.290 nan 0.000 0.534 262 I N -2.135 118.589 120.570 0.257 0.000 2.917 262 I HA 0.342 4.550 4.170 0.063 0.000 0.292 262 I C -2.843 173.430 176.117 0.261 0.000 1.510 262 I CA -2.508 58.951 61.300 0.267 0.000 0.858 262 I CB 1.736 39.898 38.000 0.270 0.000 1.862 262 I HN -0.256 nan 8.210 nan 0.000 0.615 263 P HA 0.023 nan 4.420 nan 0.000 0.267 263 P C 0.520 177.957 177.300 0.229 0.000 1.200 263 P CA -0.052 63.153 63.100 0.175 0.000 0.772 263 P CB 1.328 33.066 31.700 0.063 0.000 0.855 264 R N 2.062 122.689 120.500 0.213 0.000 2.115 264 R HA 0.015 4.393 4.340 0.063 0.000 0.230 264 R C 0.578 177.064 176.300 0.310 0.000 1.111 264 R CA 1.434 57.710 56.100 0.294 0.000 0.976 264 R CB -0.365 30.072 30.300 0.228 0.000 0.870 264 R HN 0.568 nan 8.270 nan 0.000 0.445 265 S N -2.934 112.758 115.700 -0.015 0.000 2.587 265 S HA 0.228 4.736 4.470 0.063 0.000 0.269 265 S C -0.374 173.954 174.600 -0.453 0.000 1.154 265 S CA -0.884 57.162 58.200 -0.257 0.000 0.824 265 S CB 0.180 63.331 63.200 -0.082 0.000 1.118 265 S HN 0.097 nan 8.310 nan 0.000 0.462 266 Y N 1.859 121.831 120.300 -0.546 0.000 2.421 266 Y HA 0.120 4.709 4.550 0.065 0.000 0.292 266 Y C 2.360 177.920 175.900 -0.567 0.000 1.136 266 Y CA 0.996 58.626 58.100 -0.785 0.000 1.255 266 Y CB -0.304 37.322 38.460 -1.390 0.000 0.991 266 Y HN 0.563 nan 8.280 nan 0.000 0.552 267 R N -0.600 119.788 120.500 -0.186 0.000 2.189 267 R HA -0.032 4.346 4.340 0.063 0.000 0.218 267 R C 0.974 177.260 176.300 -0.023 0.000 1.074 267 R CA 1.502 57.553 56.100 -0.081 0.000 0.991 267 R CB -0.376 29.861 30.300 -0.104 0.000 0.883 267 R HN 0.285 nan 8.270 nan 0.000 0.457 268 T N -1.375 113.171 114.554 -0.013 0.000 3.316 268 T HA 0.400 4.788 4.350 0.063 0.000 0.253 268 T C 0.100 174.851 174.700 0.085 0.000 0.995 268 T CA -0.688 61.432 62.100 0.033 0.000 1.031 268 T CB -0.141 68.729 68.868 0.004 0.000 1.125 268 T HN 0.087 nan 8.240 nan 0.000 0.539 269 M N -1.254 118.435 119.600 0.149 0.000 2.593 269 M HA 0.715 5.233 4.480 0.063 0.000 0.290 269 M C -1.300 175.183 176.300 0.305 0.000 1.244 269 M CA -0.868 54.557 55.300 0.209 0.000 0.857 269 M CB 2.187 34.898 32.600 0.185 0.000 1.738 269 M HN -0.126 nan 8.290 nan 0.000 0.461 270 E N 0.542 120.926 120.200 0.307 0.000 2.345 270 E HA 0.638 5.026 4.350 0.063 0.000 0.259 270 E C -0.247 176.481 176.600 0.213 0.000 1.117 270 E CA -0.537 55.991 56.400 0.213 0.000 0.913 270 E CB 1.574 31.331 29.700 0.096 0.000 1.057 270 E HN 0.851 nan 8.360 nan 0.000 0.432 271 G N 0.929 109.719 108.800 -0.017 0.000 2.542 271 G HA2 0.618 4.616 3.960 0.063 0.000 0.311 271 G HA3 0.618 4.616 3.960 0.063 0.000 0.311 271 G C -1.439 173.168 174.900 -0.489 0.000 1.298 271 G CA -0.431 44.671 45.100 0.003 0.000 0.973 271 G HN 0.277 nan 8.290 nan 0.000 0.487 272 F N -0.101 119.828 119.950 -0.035 0.000 2.619 272 F HA 0.510 5.075 4.527 0.063 0.000 0.308 272 F C 1.010 176.732 175.800 -0.129 0.000 1.097 272 F CA -0.599 57.292 58.000 -0.182 0.000 0.953 272 F CB 2.608 41.446 39.000 -0.271 0.000 1.287 272 F HN 0.590 nan 8.300 nan 0.000 0.446 273 G N 0.755 109.622 108.800 0.113 0.000 2.880 273 G HA2 0.214 4.212 3.960 0.063 0.000 0.209 273 G HA3 0.214 4.212 3.960 0.063 0.000 0.209 273 G C 1.156 176.099 174.900 0.072 0.000 1.157 273 G CA 0.683 45.892 45.100 0.180 0.000 0.779 273 G HN 0.792 nan 8.290 nan 0.000 0.539 274 I N -0.884 119.653 120.570 -0.055 0.000 4.624 274 I HA -0.331 3.877 4.170 0.063 0.000 0.049 274 I C 0.637 176.607 176.117 -0.244 0.000 0.621 274 I CA 1.643 62.787 61.300 -0.260 0.000 0.836 274 I CB -1.111 36.626 38.000 -0.438 0.000 0.765 274 I HN 0.267 nan 8.210 nan 0.000 0.159 275 H N 1.855 120.919 119.070 -0.009 0.000 2.607 275 H HA 0.282 4.876 4.556 0.065 0.000 0.367 275 H C 0.037 175.289 175.328 -0.126 0.000 1.181 275 H CA 0.456 56.411 56.048 -0.155 0.000 1.402 275 H CB 0.259 29.770 29.762 -0.419 0.000 1.474 275 H HN 0.181 nan 8.280 nan 0.000 0.596 276 T N 3.315 117.831 114.554 -0.062 0.000 2.794 276 T HA 0.283 4.671 4.350 0.063 0.000 0.296 276 T C 0.202 174.833 174.700 -0.114 0.000 0.949 276 T CA -0.074 61.983 62.100 -0.072 0.000 1.101 276 T CB -0.115 68.667 68.868 -0.143 0.000 0.905 276 T HN 0.252 nan 8.240 nan 0.000 0.516 277 F N 1.195 121.104 119.950 -0.069 0.000 2.656 277 F HA 0.680 5.244 4.527 0.061 0.000 0.394 277 F C 1.010 176.772 175.800 -0.063 0.000 1.168 277 F CA -1.403 56.587 58.000 -0.017 0.000 1.135 277 F CB 1.370 40.360 39.000 -0.017 0.000 1.480 277 F HN 0.170 nan 8.300 nan 0.000 0.500 278 R N 0.341 120.907 120.500 0.111 0.000 2.807 278 R HA 0.660 5.038 4.340 0.063 0.000 0.276 278 R C -1.700 174.485 176.300 -0.193 0.000 0.979 278 R CA -0.913 55.114 56.100 -0.123 0.000 0.928 278 R CB 2.126 32.294 30.300 -0.221 0.000 1.191 278 R HN 0.424 nan 8.270 nan 0.000 0.471 279 L N 3.378 124.436 121.223 -0.275 0.000 2.317 279 L HA 0.536 4.914 4.340 0.063 0.000 0.281 279 L C -0.612 176.100 176.870 -0.263 0.000 1.024 279 L CA -0.929 53.754 54.840 -0.261 0.000 0.810 279 L CB 1.478 43.380 42.059 -0.261 0.000 1.240 279 L HN 0.356 nan 8.230 nan 0.000 0.427 280 I N 2.895 123.333 120.570 -0.221 0.000 2.436 280 I HA 0.284 4.492 4.170 0.063 0.000 0.289 280 I C -0.181 175.846 176.117 -0.151 0.000 1.010 280 I CA -0.704 60.471 61.300 -0.208 0.000 1.098 280 I CB 1.436 39.322 38.000 -0.190 0.000 1.266 280 I HN 0.622 nan 8.210 nan 0.000 0.434 281 N N 4.870 123.495 118.700 -0.126 0.000 2.476 281 N HA 0.381 5.159 4.740 0.063 0.000 0.287 281 N C 0.815 176.282 175.510 -0.073 0.000 1.262 281 N CA -0.375 52.620 53.050 -0.091 0.000 0.980 281 N CB 0.526 38.968 38.487 -0.076 0.000 1.163 281 N HN 0.521 nan 8.380 nan 0.000 0.592 282 A N -0.693 122.093 122.820 -0.056 0.000 2.067 282 A HA -0.100 4.258 4.320 0.063 0.000 0.219 282 A C 1.478 179.040 177.584 -0.036 0.000 1.158 282 A CA 1.184 53.195 52.037 -0.044 0.000 0.661 282 A CB -0.782 18.199 19.000 -0.033 0.000 0.801 282 A HN 0.811 nan 8.150 nan 0.000 0.452 283 E N -1.691 118.489 120.200 -0.034 0.000 2.489 283 E HA 0.298 4.686 4.350 0.063 0.000 0.193 283 E C 1.136 177.725 176.600 -0.018 0.000 1.057 283 E CA 0.418 56.803 56.400 -0.025 0.000 0.866 283 E CB 0.053 29.740 29.700 -0.022 0.000 0.916 283 E HN 0.692 nan 8.360 nan 0.000 0.500 284 G N 1.908 110.694 108.800 -0.023 0.000 2.175 284 G HA2 -0.335 3.663 3.960 0.063 0.000 0.244 284 G HA3 -0.335 3.663 3.960 0.063 0.000 0.244 284 G C 0.283 175.196 174.900 0.023 0.000 0.982 284 G CA 0.129 45.234 45.100 0.010 0.000 0.641 284 G HN 0.227 nan 8.290 nan 0.000 0.527 285 K N 1.031 121.409 120.400 -0.038 0.000 2.368 285 K HA 0.607 4.965 4.320 0.063 0.000 0.282 285 K C 0.583 177.054 176.600 -0.215 0.000 1.035 285 K CA 0.307 56.544 56.287 -0.083 0.000 0.973 285 K CB 0.442 32.895 32.500 -0.078 0.000 0.957 285 K HN 0.585 nan 8.250 nan 0.000 0.474 286 A N 3.526 126.117 122.820 -0.382 0.000 2.290 286 A HA 0.394 4.752 4.320 0.063 0.000 0.310 286 A C -0.770 176.499 177.584 -0.525 0.000 1.202 286 A CA -0.507 51.138 52.037 -0.654 0.000 0.837 286 A CB 1.107 19.301 19.000 -1.343 0.000 1.139 286 A HN 0.709 nan 8.150 nan 0.000 0.509 287 T N 2.666 116.947 114.554 -0.455 0.000 2.812 287 T HA 0.513 4.901 4.350 0.063 0.000 0.282 287 T C -0.644 173.844 174.700 -0.353 0.000 0.990 287 T CA -0.076 61.815 62.100 -0.348 0.000 0.960 287 T CB 0.330 69.079 68.868 -0.198 0.000 0.948 287 T HN 0.342 nan 8.240 nan 0.000 0.438 288 F N 2.319 122.175 119.950 -0.157 0.000 2.484 288 F HA 0.499 5.063 4.527 0.062 0.000 0.360 288 F C 0.580 176.261 175.800 -0.197 0.000 1.101 288 F CA -0.381 57.523 58.000 -0.161 0.000 1.251 288 F CB 0.645 39.574 39.000 -0.118 0.000 1.132 288 F HN 0.195 nan 8.300 nan 0.000 0.570 289 V N 4.937 124.805 119.914 -0.076 0.000 2.925 289 V HA 0.628 4.786 4.120 0.063 0.000 0.311 289 V C -0.998 174.876 176.094 -0.366 0.000 1.104 289 V CA -0.794 61.316 62.300 -0.317 0.000 0.954 289 V CB 2.177 33.584 31.823 -0.694 0.000 1.022 289 V HN 0.764 nan 8.190 nan 0.000 0.427 290 R N 4.734 125.064 120.500 -0.284 0.000 2.534 290 R HA 0.539 4.917 4.340 0.063 0.000 0.301 290 R C -1.684 174.555 176.300 -0.102 0.000 0.961 290 R CA -0.439 55.544 56.100 -0.195 0.000 0.871 290 R CB 2.021 32.316 30.300 -0.008 0.000 1.170 290 R HN 0.596 nan 8.270 nan 0.000 0.446 291 F N 2.348 122.346 119.950 0.081 0.000 2.385 291 F HA 0.364 4.928 4.527 0.062 0.000 0.336 291 F C 1.015 176.748 175.800 -0.111 0.000 1.100 291 F CA -0.105 57.914 58.000 0.032 0.000 1.116 291 F CB 0.832 39.752 39.000 -0.134 0.000 1.166 291 F HN 0.204 nan 8.300 nan 0.000 0.511 292 H N 0.959 120.025 119.070 -0.007 0.000 2.768 292 H HA 0.269 4.863 4.556 0.064 0.000 0.371 292 H C -1.573 173.514 175.328 -0.402 0.000 1.151 292 H CA -1.010 54.922 56.048 -0.193 0.000 1.165 292 H CB 1.993 31.727 29.762 -0.046 0.000 1.722 292 H HN 0.675 nan 8.280 nan 0.000 0.543 293 W N 2.268 123.479 121.300 -0.149 0.000 2.538 293 W HA 0.319 5.016 4.660 0.062 0.000 0.322 293 W C -0.118 176.439 176.519 0.063 0.000 1.028 293 W CA -0.767 56.541 57.345 -0.061 0.000 1.228 293 W CB 1.730 31.026 29.460 -0.274 0.000 1.356 293 W HN 0.270 nan 8.180 nan 0.000 0.452 294 K N 5.636 126.305 120.400 0.448 0.000 2.265 294 K HA 0.391 4.749 4.320 0.063 0.000 0.267 294 K C -2.427 174.408 176.600 0.391 0.000 0.994 294 K CA -1.910 54.579 56.287 0.336 0.000 0.860 294 K CB 1.467 34.111 32.500 0.240 0.000 1.099 294 K HN 0.040 nan 8.250 nan 0.000 0.448 295 P HA 0.054 nan 4.420 nan 0.000 0.276 295 P C 0.364 177.687 177.300 0.040 0.000 1.264 295 P CA -0.067 63.130 63.100 0.161 0.000 0.769 295 P CB 0.645 32.456 31.700 0.185 0.000 0.840 296 L N 2.500 123.689 121.223 -0.055 0.000 2.551 296 L HA -0.054 4.324 4.340 0.063 0.000 0.228 296 L C 2.040 178.897 176.870 -0.022 0.000 1.153 296 L CA 0.934 55.769 54.840 -0.008 0.000 0.851 296 L CB -0.565 41.493 42.059 -0.002 0.000 0.959 296 L HN 0.332 nan 8.230 nan 0.000 0.451 297 A N -0.073 122.713 122.820 -0.056 0.000 2.275 297 A HA 0.459 4.817 4.320 0.063 0.000 0.212 297 A C 1.224 178.812 177.584 0.007 0.000 1.201 297 A CA 0.569 52.587 52.037 -0.032 0.000 0.843 297 A CB -0.199 18.766 19.000 -0.059 0.000 0.873 297 A HN 0.438 nan 8.150 nan 0.000 0.492 298 G N -0.503 108.316 108.800 0.032 0.000 2.712 298 G HA2 -0.122 3.876 3.960 0.063 0.000 0.683 298 G HA3 -0.122 3.876 3.960 0.063 0.000 0.683 298 G C -0.670 174.270 174.900 0.067 0.000 1.320 298 G CA -0.489 44.648 45.100 0.062 0.000 0.847 298 G HN 0.441 nan 8.290 nan 0.000 0.553 299 K N 0.118 120.565 120.400 0.079 0.000 2.183 299 K HA 0.728 5.086 4.320 0.063 0.000 0.274 299 K C 0.167 176.790 176.600 0.039 0.000 1.009 299 K CA 0.196 56.521 56.287 0.062 0.000 0.888 299 K CB 1.787 34.312 32.500 0.042 0.000 1.078 299 K HN 1.521 nan 8.250 nan 0.000 0.459 300 A N 1.746 124.578 122.820 0.020 0.000 2.532 300 A HA 0.553 4.911 4.320 0.063 0.000 0.296 300 A C -1.174 176.481 177.584 0.119 0.000 1.058 300 A CA -0.691 51.320 52.037 -0.043 0.000 0.729 300 A CB 1.581 20.343 19.000 -0.397 0.000 1.285 300 A HN 0.510 nan 8.150 nan 0.000 0.396 301 S N 0.692 116.624 115.700 0.387 0.000 2.632 301 S HA 0.778 5.286 4.470 0.063 0.000 0.289 301 S C -0.081 174.831 174.600 0.519 0.000 1.115 301 S CA -0.629 57.815 58.200 0.406 0.000 0.889 301 S CB 1.238 64.663 63.200 0.374 0.000 1.116 301 S HN 0.658 nan 8.310 nan 0.000 0.486 302 L N 1.236 122.656 121.223 0.328 0.000 2.543 302 L HA 0.577 4.955 4.340 0.063 0.000 0.231 302 L C 0.002 176.978 176.870 0.177 0.000 1.194 302 L CA -0.860 54.094 54.840 0.189 0.000 0.823 302 L CB 0.170 42.249 42.059 0.034 0.000 1.374 302 L HN 0.487 nan 8.230 nan 0.000 0.507 303 V N -3.144 116.772 119.914 0.004 0.000 2.732 303 V HA 0.170 4.328 4.120 0.063 0.000 0.310 303 V C 0.734 176.778 176.094 -0.083 0.000 1.053 303 V CA -0.794 61.485 62.300 -0.034 0.000 0.957 303 V CB 1.539 33.307 31.823 -0.092 0.000 1.018 303 V HN 0.933 nan 8.190 nan 0.000 0.452 304 W N 2.055 123.230 121.300 -0.208 0.000 2.302 304 W HA -0.276 4.422 4.660 0.063 0.000 0.320 304 W C 1.831 178.197 176.519 -0.255 0.000 1.241 304 W CA 2.723 59.938 57.345 -0.217 0.000 1.264 304 W CB -0.105 29.211 29.460 -0.239 0.000 1.154 304 W HN 1.015 nan 8.180 nan 0.000 0.483 305 D N 0.068 120.208 120.400 -0.433 0.000 2.104 305 D HA -0.300 4.378 4.640 0.063 0.000 0.194 305 D C 2.146 178.089 176.300 -0.594 0.000 0.994 305 D CA 2.285 55.991 54.000 -0.490 0.000 0.830 305 D CB -0.561 40.197 40.800 -0.070 0.000 0.959 305 D HN 0.395 nan 8.370 nan 0.000 0.452 306 E N -0.321 119.375 120.200 -0.841 0.000 2.058 306 E HA -0.247 4.141 4.350 0.063 0.000 0.194 306 E C 2.021 178.273 176.600 -0.580 0.000 0.997 306 E CA 1.248 57.101 56.400 -0.912 0.000 0.801 306 E CB -0.275 28.775 29.700 -1.083 0.000 0.746 306 E HN 0.318 nan 8.360 nan 0.000 0.450 307 A N 1.030 123.532 122.820 -0.530 0.000 1.883 307 A HA -0.270 4.088 4.320 0.063 0.000 0.217 307 A C 2.202 179.458 177.584 -0.546 0.000 1.186 307 A CA 1.839 53.615 52.037 -0.434 0.000 0.624 307 A CB -0.754 18.103 19.000 -0.238 0.000 0.822 307 A HN 0.459 nan 8.150 nan 0.000 0.444 308 Q N -0.614 118.641 119.800 -0.908 0.000 2.050 308 Q HA -0.201 4.177 4.340 0.063 0.000 0.202 308 Q C 2.203 177.928 176.000 -0.457 0.000 0.980 308 Q CA 1.886 57.187 55.803 -0.837 0.000 0.840 308 Q CB -0.142 27.849 28.738 -1.246 0.000 0.898 308 Q HN 0.671 nan 8.270 nan 0.000 0.424 309 K N 0.021 120.172 120.400 -0.416 0.000 2.148 309 K HA -0.149 4.209 4.320 0.063 0.000 0.204 309 K C 2.042 178.505 176.600 -0.229 0.000 1.050 309 K CA 0.663 56.799 56.287 -0.251 0.000 0.942 309 K CB -0.038 32.357 32.500 -0.175 0.000 0.724 309 K HN 0.163 nan 8.250 nan 0.000 0.446 310 L N 1.376 122.420 121.223 -0.297 0.000 2.201 310 L HA -0.132 4.246 4.340 0.063 0.000 0.212 310 L C 2.163 178.900 176.870 -0.221 0.000 1.105 310 L CA 2.097 56.759 54.840 -0.297 0.000 0.775 310 L CB -0.840 40.955 42.059 -0.440 0.000 0.913 310 L HN 0.317 nan 8.230 nan 0.000 0.440 311 T N -4.400 110.030 114.554 -0.205 0.000 2.881 311 T HA -0.053 4.335 4.350 0.063 0.000 0.270 311 T C 1.848 176.490 174.700 -0.098 0.000 1.068 311 T CA 0.943 62.964 62.100 -0.132 0.000 1.131 311 T CB -0.953 67.850 68.868 -0.109 0.000 0.871 311 T HN 0.373 nan 8.240 nan 0.000 0.479 312 G N 1.238 109.973 108.800 -0.109 0.000 2.437 312 G HA2 -0.008 3.990 3.960 0.063 0.000 0.212 312 G HA3 -0.008 3.990 3.960 0.063 0.000 0.212 312 G C 1.887 176.745 174.900 -0.069 0.000 1.174 312 G CA -0.251 44.801 45.100 -0.079 0.000 0.811 312 G HN 0.284 nan 8.290 nan 0.000 0.537 313 R N 0.378 120.828 120.500 -0.084 0.000 2.092 313 R HA 0.038 4.416 4.340 0.063 0.000 0.231 313 R C -0.129 176.147 176.300 -0.042 0.000 1.119 313 R CA 0.857 56.920 56.100 -0.061 0.000 0.970 313 R CB -0.336 29.920 30.300 -0.073 0.000 0.864 313 R HN 0.374 nan 8.270 nan 0.000 0.440 314 D N -0.648 119.723 120.400 -0.049 0.000 2.337 314 D HA 0.138 4.816 4.640 0.063 0.000 0.238 314 D C -2.149 174.149 176.300 -0.003 0.000 1.331 314 D CA -1.732 52.268 54.000 0.001 0.000 0.967 314 D CB 1.416 42.259 40.800 0.073 0.000 1.382 314 D HN -0.147 nan 8.370 nan 0.000 0.549 315 P HA 0.008 nan 4.420 nan 0.000 0.228 315 P C 0.010 177.313 177.300 0.005 0.000 1.151 315 P CA 0.671 63.760 63.100 -0.020 0.000 0.770 315 P CB 0.494 32.181 31.700 -0.023 0.000 0.786 316 D N -1.476 118.936 120.400 0.019 0.000 2.463 316 D HA 0.079 4.758 4.640 0.063 0.000 0.224 316 D C 1.174 177.495 176.300 0.035 0.000 1.174 316 D CA -0.458 53.556 54.000 0.023 0.000 0.829 316 D CB -0.493 40.301 40.800 -0.011 0.000 0.993 316 D HN 0.109 nan 8.370 nan 0.000 0.497 317 F N 1.292 121.170 119.950 -0.120 0.000 2.095 317 F HA -0.231 4.334 4.527 0.063 0.000 0.298 317 F C 2.041 177.779 175.800 -0.103 0.000 1.104 317 F CA 1.877 59.792 58.000 -0.142 0.000 1.232 317 F CB 0.061 38.919 39.000 -0.236 0.000 0.987 317 F HN 0.096 nan 8.300 nan 0.000 0.475 318 H N -1.289 117.688 119.070 -0.156 0.000 2.395 318 H HA -0.052 4.542 4.556 0.063 0.000 0.299 318 H C 2.343 177.547 175.328 -0.207 0.000 1.070 318 H CA 0.910 56.721 56.048 -0.395 0.000 1.356 318 H CB -0.082 29.256 29.762 -0.706 0.000 1.401 318 H HN 0.174 nan 8.280 nan 0.000 0.524 319 R N 1.144 121.709 120.500 0.109 0.000 2.075 319 R HA -0.099 4.279 4.340 0.063 0.000 0.232 319 R C 2.408 178.795 176.300 0.145 0.000 1.126 319 R CA 1.121 57.347 56.100 0.212 0.000 0.963 319 R CB 0.034 30.457 30.300 0.205 0.000 0.858 319 R HN 0.193 nan 8.270 nan 0.000 0.435 320 R N 0.327 120.830 120.500 0.005 0.000 2.066 320 R HA -0.123 4.255 4.340 0.063 0.000 0.232 320 R C 2.137 178.414 176.300 -0.039 0.000 1.131 320 R CA 1.508 57.593 56.100 -0.024 0.000 0.955 320 R CB -0.204 30.046 30.300 -0.084 0.000 0.851 320 R HN 0.229 nan 8.270 nan 0.000 0.432 321 E N 0.785 120.846 120.200 -0.232 0.000 2.077 321 E HA -0.208 4.180 4.350 0.063 0.000 0.193 321 E C 2.011 178.573 176.600 -0.063 0.000 0.989 321 E CA 1.139 57.386 56.400 -0.256 0.000 0.800 321 E CB -0.097 29.266 29.700 -0.563 0.000 0.746 321 E HN 0.263 nan 8.360 nan 0.000 0.452 322 L N 0.831 122.061 121.223 0.012 0.000 2.017 322 L HA -0.151 4.227 4.340 0.063 0.000 0.208 322 L C 2.279 179.249 176.870 0.166 0.000 1.073 322 L CA 1.869 56.767 54.840 0.097 0.000 0.745 322 L CB -0.935 41.238 42.059 0.191 0.000 0.894 322 L HN 0.309 nan 8.230 nan 0.000 0.432 323 W N 0.916 122.248 121.300 0.053 0.000 2.338 323 W HA -0.220 4.478 4.660 0.062 0.000 0.304 323 W C 2.208 178.753 176.519 0.043 0.000 1.212 323 W CA 2.207 59.596 57.345 0.074 0.000 1.264 323 W CB -0.119 29.388 29.460 0.078 0.000 1.142 323 W HN 0.364 nan 8.180 nan 0.000 0.512 324 E N -0.125 120.245 120.200 0.284 0.000 2.152 324 E HA -0.117 4.271 4.350 0.063 0.000 0.192 324 E C 2.360 178.987 176.600 0.045 0.000 0.983 324 E CA 0.986 57.475 56.400 0.148 0.000 0.818 324 E CB -0.318 29.418 29.700 0.059 0.000 0.758 324 E HN 0.177 nan 8.360 nan 0.000 0.467 325 A N 1.320 124.165 122.820 0.040 0.000 1.877 325 A HA -0.181 4.177 4.320 0.063 0.000 0.216 325 A C 2.164 179.758 177.584 0.016 0.000 1.186 325 A CA 1.106 53.157 52.037 0.023 0.000 0.620 325 A CB -0.562 18.453 19.000 0.025 0.000 0.822 325 A HN 0.132 nan 8.150 nan 0.000 0.443 326 I N -0.453 120.152 120.570 0.057 0.000 2.226 326 I HA -0.239 3.969 4.170 0.063 0.000 0.245 326 I C 2.450 178.621 176.117 0.091 0.000 1.100 326 I CA 1.459 62.837 61.300 0.131 0.000 1.374 326 I CB -0.394 37.634 38.000 0.047 0.000 1.057 326 I HN 0.421 nan 8.210 nan 0.000 0.413 327 E N 0.725 120.938 120.200 0.022 0.000 2.204 327 E HA -0.167 4.221 4.350 0.063 0.000 0.194 327 E C 2.089 178.698 176.600 0.016 0.000 0.989 327 E CA 1.137 57.562 56.400 0.043 0.000 0.824 327 E CB -0.064 29.697 29.700 0.101 0.000 0.756 327 E HN 0.503 nan 8.360 nan 0.000 0.477 328 A N -0.006 122.798 122.820 -0.027 0.000 2.218 328 A HA 0.242 4.600 4.320 0.063 0.000 0.209 328 A C 1.753 179.262 177.584 -0.124 0.000 1.168 328 A CA 0.909 52.914 52.037 -0.053 0.000 0.804 328 A CB -0.022 18.939 19.000 -0.063 0.000 0.834 328 A HN 0.328 nan 8.150 nan 0.000 0.482 329 G N -0.436 108.184 108.800 -0.300 0.000 2.175 329 G HA2 -0.202 3.796 3.960 0.063 0.000 0.244 329 G HA3 -0.202 3.796 3.960 0.063 0.000 0.244 329 G C -0.137 174.201 174.900 -0.937 0.000 0.982 329 G CA 0.249 44.878 45.100 -0.785 0.000 0.641 329 G HN 0.433 nan 8.290 nan 0.000 0.527 330 D N 1.109 121.237 120.400 -0.454 0.000 2.994 330 D HA 0.284 4.962 4.640 0.063 0.000 0.240 330 D C 0.763 176.967 176.300 -0.160 0.000 1.195 330 D CA -0.223 53.630 54.000 -0.246 0.000 0.957 330 D CB -0.811 39.961 40.800 -0.047 0.000 1.105 330 D HN 0.441 nan 8.370 nan 0.000 0.477 331 F N 1.528 121.482 119.950 0.007 0.000 2.590 331 F HA 0.065 4.631 4.527 0.064 0.000 0.389 331 F C -1.345 174.425 175.800 -0.049 0.000 1.049 331 F CA -1.857 56.138 58.000 -0.008 0.000 1.199 331 F CB -0.129 38.876 39.000 0.009 0.000 1.058 331 F HN -0.080 nan 8.300 nan 0.000 0.556 332 P HA 0.014 nan 4.420 nan 0.000 0.262 332 P C -1.022 176.204 177.300 -0.122 0.000 1.199 332 P CA 0.314 63.391 63.100 -0.038 0.000 0.763 332 P CB 0.389 32.139 31.700 0.084 0.000 0.790 333 E N 2.725 122.719 120.200 -0.343 0.000 2.210 333 E HA 0.428 4.816 4.350 0.063 0.000 0.266 333 E C -0.990 175.289 176.600 -0.535 0.000 0.883 333 E CA -0.598 55.648 56.400 -0.257 0.000 0.761 333 E CB 1.417 31.075 29.700 -0.069 0.000 1.156 333 E HN 0.375 nan 8.360 nan 0.000 0.412 334 Y N 0.524 120.908 120.300 0.140 0.000 2.462 334 Y HA 0.240 4.828 4.550 0.065 0.000 0.346 334 Y C -0.106 176.035 175.900 0.402 0.000 0.976 334 Y CA -0.980 57.278 58.100 0.264 0.000 1.044 334 Y CB 2.003 40.589 38.460 0.210 0.000 1.230 334 Y HN 0.493 nan 8.280 nan 0.000 0.455 335 E N 3.177 123.706 120.200 0.548 0.000 2.109 335 E HA 0.375 4.763 4.350 0.063 0.000 0.278 335 E C -1.486 175.369 176.600 0.425 0.000 0.954 335 E CA -0.971 55.694 56.400 0.441 0.000 0.779 335 E CB 0.944 30.844 29.700 0.333 0.000 1.093 335 E HN 0.602 nan 8.360 nan 0.000 0.401 336 L N 4.514 125.910 121.223 0.288 0.000 2.410 336 L HA 0.496 4.874 4.340 0.063 0.000 0.273 336 L C -0.098 176.685 176.870 -0.145 0.000 1.152 336 L CA 0.648 55.389 54.840 -0.166 0.000 0.855 336 L CB 0.965 42.881 42.059 -0.238 0.000 1.129 336 L HN 0.589 nan 8.230 nan 0.000 0.463 337 G N 4.587 113.311 108.800 -0.128 0.000 2.620 337 G HA2 0.562 4.560 3.960 0.063 0.000 0.301 337 G HA3 0.562 4.560 3.960 0.063 0.000 0.301 337 G C -1.608 173.396 174.900 0.174 0.000 1.347 337 G CA -0.523 44.545 45.100 -0.053 0.000 0.971 337 G HN 0.468 nan 8.290 nan 0.000 0.488 338 F N 0.066 120.033 119.950 0.028 0.000 2.495 338 F HA 0.427 4.992 4.527 0.064 0.000 0.327 338 F C 0.363 176.163 175.800 -0.000 0.000 1.103 338 F CA -0.962 57.058 58.000 0.032 0.000 0.949 338 F CB 2.680 41.684 39.000 0.006 0.000 1.142 338 F HN 0.112 nan 8.300 nan 0.000 0.457 339 Q N 4.200 124.128 119.800 0.212 0.000 2.368 339 Q HA 0.477 4.855 4.340 0.063 0.000 0.256 339 Q C -1.172 174.874 176.000 0.076 0.000 0.980 339 Q CA -0.514 55.359 55.803 0.116 0.000 0.887 339 Q CB 1.994 30.817 28.738 0.140 0.000 1.221 339 Q HN 0.530 nan 8.270 nan 0.000 0.458 340 L N 4.469 125.743 121.223 0.086 0.000 2.296 340 L HA 0.594 4.972 4.340 0.063 0.000 0.286 340 L C -0.469 176.456 176.870 0.092 0.000 1.023 340 L CA -0.538 54.339 54.840 0.061 0.000 0.812 340 L CB 1.200 43.299 42.059 0.066 0.000 1.223 340 L HN 0.483 nan 8.230 nan 0.000 0.421 341 I N 4.120 124.760 120.570 0.116 0.000 2.447 341 I HA 0.360 4.568 4.170 0.063 0.000 0.287 341 I C -2.330 173.904 176.117 0.195 0.000 1.023 341 I CA -2.129 59.282 61.300 0.185 0.000 1.083 341 I CB 2.260 40.394 38.000 0.224 0.000 1.245 341 I HN 0.276 nan 8.210 nan 0.000 0.434 342 P HA 0.020 nan 4.420 nan 0.000 0.267 342 P C 0.662 178.042 177.300 0.134 0.000 1.200 342 P CA 0.018 63.163 63.100 0.075 0.000 0.772 342 P CB 0.890 32.623 31.700 0.055 0.000 0.855 343 E N 1.442 121.640 120.200 -0.003 0.000 2.118 343 E HA -0.267 4.121 4.350 0.063 0.000 0.195 343 E C 0.863 177.576 176.600 0.189 0.000 0.992 343 E CA 1.404 57.812 56.400 0.013 0.000 0.804 343 E CB 0.026 29.635 29.700 -0.151 0.000 0.741 343 E HN 0.424 nan 8.360 nan 0.000 0.458 344 E N 0.561 120.835 120.200 0.123 0.000 2.409 344 E HA -0.115 4.273 4.350 0.063 0.000 0.198 344 E C 0.617 177.297 176.600 0.133 0.000 1.024 344 E CA 0.869 57.345 56.400 0.127 0.000 0.861 344 E CB 0.059 29.803 29.700 0.075 0.000 0.788 344 E HN 0.242 nan 8.360 nan 0.000 0.521 345 D N 0.080 120.562 120.400 0.136 0.000 2.368 345 D HA -0.007 4.671 4.640 0.063 0.000 0.218 345 D C 1.239 177.587 176.300 0.080 0.000 1.112 345 D CA 0.042 54.089 54.000 0.079 0.000 0.834 345 D CB 0.069 40.910 40.800 0.068 0.000 0.953 345 D HN 0.303 nan 8.370 nan 0.000 0.505 346 E N -0.064 120.182 120.200 0.078 0.000 2.070 346 E HA -0.206 4.182 4.350 0.063 0.000 0.197 346 E C 0.447 176.780 176.600 -0.444 0.000 1.004 346 E CA 1.170 57.410 56.400 -0.267 0.000 0.805 346 E CB 0.007 29.461 29.700 -0.410 0.000 0.744 346 E HN 0.228 nan 8.360 nan 0.000 0.451 347 F N -0.070 119.878 119.950 -0.003 0.000 2.639 347 F HA 0.259 4.824 4.527 0.063 0.000 0.300 347 F C 1.286 177.030 175.800 -0.094 0.000 1.109 347 F CA -0.086 57.894 58.000 -0.035 0.000 1.335 347 F CB 0.533 39.522 39.000 -0.018 0.000 1.014 347 F HN -0.155 nan 8.300 nan 0.000 0.537 348 K N -0.117 120.234 120.400 -0.081 0.000 2.404 348 K HA 0.141 4.499 4.320 0.063 0.000 0.194 348 K C -0.153 176.121 176.600 -0.543 0.000 1.023 348 K CA 0.229 56.335 56.287 -0.302 0.000 1.094 348 K CB 0.207 32.474 32.500 -0.389 0.000 0.841 348 K HN 0.155 nan 8.250 nan 0.000 0.523 349 F N 0.834 120.618 119.950 -0.277 0.000 2.461 349 F HA 0.077 4.643 4.527 0.064 0.000 0.332 349 F C 1.332 176.938 175.800 -0.323 0.000 1.073 349 F CA -1.105 56.643 58.000 -0.420 0.000 1.017 349 F CB 0.551 38.941 39.000 -1.017 0.000 1.301 349 F HN -0.032 nan 8.300 nan 0.000 0.492 350 D N -0.745 119.654 120.400 -0.002 0.000 2.340 350 D HA 0.042 4.720 4.640 0.063 0.000 0.220 350 D C -0.358 176.028 176.300 0.144 0.000 1.039 350 D CA 0.210 54.262 54.000 0.087 0.000 0.866 350 D CB -0.787 40.100 40.800 0.145 0.000 0.913 350 D HN 0.239 nan 8.370 nan 0.000 0.523 351 F N -1.427 118.591 119.950 0.113 0.000 2.598 351 F HA 0.531 5.096 4.527 0.063 0.000 0.327 351 F C -0.120 175.645 175.800 -0.058 0.000 1.057 351 F CA -1.744 56.244 58.000 -0.020 0.000 0.957 351 F CB 0.936 39.886 39.000 -0.083 0.000 1.278 351 F HN -0.341 nan 8.300 nan 0.000 0.484 352 D N 1.622 122.011 120.400 -0.020 0.000 2.304 352 D HA 0.183 4.861 4.640 0.063 0.000 0.250 352 D C 0.989 177.191 176.300 -0.162 0.000 1.107 352 D CA -0.072 53.846 54.000 -0.136 0.000 0.885 352 D CB 1.562 42.283 40.800 -0.131 0.000 1.192 352 D HN 0.738 nan 8.370 nan 0.000 0.436 353 L N 3.279 124.339 121.223 -0.272 0.000 2.191 353 L HA -0.121 4.257 4.340 0.063 0.000 0.212 353 L C 1.903 178.618 176.870 -0.258 0.000 1.103 353 L CA 0.735 55.401 54.840 -0.291 0.000 0.769 353 L CB -0.049 41.706 42.059 -0.508 0.000 0.908 353 L HN 0.447 nan 8.230 nan 0.000 0.438 354 L N -0.893 120.193 121.223 -0.229 0.000 2.612 354 L HA 0.074 4.452 4.340 0.063 0.000 0.230 354 L C 0.241 177.029 176.870 -0.137 0.000 1.140 354 L CA -0.137 54.639 54.840 -0.106 0.000 0.896 354 L CB -0.329 41.761 42.059 0.053 0.000 1.065 354 L HN 0.077 nan 8.230 nan 0.000 0.447 355 D N 1.830 121.934 120.400 -0.493 0.000 2.359 355 D HA 0.145 4.823 4.640 0.063 0.000 0.230 355 D C -1.549 174.545 176.300 -0.344 0.000 1.118 355 D CA -2.331 51.177 54.000 -0.820 0.000 0.844 355 D CB 1.628 41.638 40.800 -1.316 0.000 1.059 355 D HN -0.090 nan 8.370 nan 0.000 0.493 356 P HA -0.052 nan 4.420 nan 0.000 0.242 356 P C 0.809 178.025 177.300 -0.139 0.000 1.197 356 P CA 0.634 63.678 63.100 -0.093 0.000 0.765 356 P CB -0.017 31.721 31.700 0.063 0.000 0.936 357 T N -4.517 109.944 114.554 -0.155 0.000 3.107 357 T HA 0.149 4.537 4.350 0.063 0.000 0.249 357 T C 0.745 175.350 174.700 -0.159 0.000 1.096 357 T CA -0.060 61.956 62.100 -0.141 0.000 1.012 357 T CB -0.162 68.668 68.868 -0.064 0.000 0.977 357 T HN -0.134 nan 8.240 nan 0.000 0.527 358 K N 2.289 122.500 120.400 -0.316 0.000 2.274 358 K HA 0.545 4.903 4.320 0.063 0.000 0.262 358 K C -0.317 176.076 176.600 -0.345 0.000 0.961 358 K CA -0.849 55.102 56.287 -0.559 0.000 0.833 358 K CB 2.103 34.177 32.500 -0.710 0.000 1.102 358 K HN 0.312 nan 8.250 nan 0.000 0.436 359 L N 0.010 121.168 121.223 -0.109 0.000 2.416 359 L HA 0.642 5.020 4.340 0.063 0.000 0.262 359 L C -0.028 176.687 176.870 -0.259 0.000 1.093 359 L CA -0.376 54.385 54.840 -0.133 0.000 0.801 359 L CB 0.325 42.387 42.059 0.005 0.000 1.191 359 L HN 0.449 nan 8.230 nan 0.000 0.459 360 I N 1.547 122.054 120.570 -0.104 0.000 2.330 360 I HA 0.361 4.569 4.170 0.063 0.000 0.286 360 I C -2.131 174.017 176.117 0.053 0.000 1.025 360 I CA -1.756 59.530 61.300 -0.022 0.000 1.197 360 I CB 1.109 39.106 38.000 -0.004 0.000 1.358 360 I HN 0.463 nan 8.210 nan 0.000 0.467 361 P HA -0.007 nan 4.420 nan 0.000 0.261 361 P C 0.407 177.779 177.300 0.119 0.000 1.183 361 P CA 0.203 63.355 63.100 0.086 0.000 0.761 361 P CB 0.538 32.278 31.700 0.066 0.000 0.785 362 E N 2.071 122.348 120.200 0.127 0.000 2.204 362 E HA -0.209 4.179 4.350 0.063 0.000 0.195 362 E C 1.347 178.002 176.600 0.092 0.000 0.990 362 E CA 0.855 57.317 56.400 0.104 0.000 0.821 362 E CB -0.011 29.752 29.700 0.104 0.000 0.750 362 E HN 0.528 nan 8.360 nan 0.000 0.477 363 E N 0.360 120.615 120.200 0.092 0.000 2.204 363 E HA -0.118 4.270 4.350 0.063 0.000 0.194 363 E C 2.056 178.720 176.600 0.107 0.000 0.989 363 E CA 0.661 57.112 56.400 0.084 0.000 0.824 363 E CB 0.102 29.844 29.700 0.071 0.000 0.756 363 E HN 0.366 nan 8.360 nan 0.000 0.477 364 L N -0.441 120.870 121.223 0.147 0.000 2.145 364 L HA 0.053 4.431 4.340 0.063 0.000 0.201 364 L C 0.631 177.626 176.870 0.209 0.000 1.075 364 L CA 0.477 55.444 54.840 0.212 0.000 0.773 364 L CB 0.421 42.681 42.059 0.336 0.000 0.936 364 L HN -0.206 nan 8.230 nan 0.000 0.451 365 V N 1.346 121.363 119.914 0.171 0.000 2.445 365 V HA 0.299 4.457 4.120 0.063 0.000 0.283 365 V C -2.387 173.760 176.094 0.089 0.000 1.014 365 V CA -1.480 60.905 62.300 0.142 0.000 0.852 365 V CB 1.388 33.297 31.823 0.143 0.000 1.021 365 V HN -0.026 nan 8.190 nan 0.000 0.435 366 P HA 0.131 nan 4.420 nan 0.000 0.269 366 P C -0.258 177.043 177.300 0.003 0.000 1.215 366 P CA 0.075 63.197 63.100 0.037 0.000 0.780 366 P CB 1.050 32.774 31.700 0.041 0.000 0.898 367 V N 3.384 123.264 119.914 -0.057 0.000 2.427 367 V HA 0.085 4.243 4.120 0.063 0.000 0.268 367 V C 0.931 177.012 176.094 -0.023 0.000 1.046 367 V CA -0.006 62.223 62.300 -0.119 0.000 0.970 367 V CB -0.014 31.641 31.823 -0.279 0.000 1.001 367 V HN 0.566 nan 8.190 nan 0.000 0.476 368 Q N 5.723 125.536 119.800 0.022 0.000 2.286 368 Q HA 0.312 4.690 4.340 0.063 0.000 0.257 368 Q C 0.042 176.044 176.000 0.003 0.000 0.941 368 Q CA -0.544 55.278 55.803 0.031 0.000 0.912 368 Q CB 0.716 29.489 28.738 0.060 0.000 1.192 368 Q HN 0.641 nan 8.270 nan 0.000 0.410 369 R N 2.558 123.084 120.500 0.042 0.000 2.489 369 R HA 0.085 4.463 4.340 0.063 0.000 0.287 369 R C 0.211 176.552 176.300 0.068 0.000 1.053 369 R CA -0.142 56.026 56.100 0.114 0.000 1.036 369 R CB 0.850 31.279 30.300 0.214 0.000 0.966 369 R HN 0.594 nan 8.270 nan 0.000 0.432 370 V N 1.281 121.133 119.914 -0.103 0.000 3.090 370 V HA 0.345 4.503 4.120 0.063 0.000 0.237 370 V C 0.737 176.539 176.094 -0.487 0.000 1.209 370 V CA 0.962 63.067 62.300 -0.324 0.000 1.209 370 V CB 1.026 32.402 31.823 -0.745 0.000 0.971 370 V HN 0.992 nan 8.190 nan 0.000 0.477 371 G N -0.262 108.120 108.800 -0.698 0.000 2.441 371 G HA2 0.488 4.486 3.960 0.063 0.000 0.294 371 G HA3 0.488 4.486 3.960 0.063 0.000 0.294 371 G C -1.866 172.675 174.900 -0.598 0.000 1.393 371 G CA -0.548 43.883 45.100 -1.115 0.000 0.796 371 G HN 0.077 nan 8.290 nan 0.000 0.494 372 K N -0.473 119.629 120.400 -0.496 0.000 2.316 372 K HA 0.758 5.116 4.320 0.063 0.000 0.251 372 K C -0.836 175.817 176.600 0.089 0.000 0.934 372 K CA -0.809 55.471 56.287 -0.010 0.000 0.802 372 K CB 1.992 34.539 32.500 0.079 0.000 1.171 372 K HN 0.568 nan 8.250 nan 0.000 0.426 373 M N 4.732 124.506 119.600 0.290 0.000 2.253 373 M HA 0.390 4.908 4.480 0.063 0.000 0.314 373 M C -1.825 174.481 176.300 0.009 0.000 1.019 373 M CA -0.765 54.670 55.300 0.224 0.000 0.932 373 M CB 1.684 34.472 32.600 0.313 0.000 1.606 373 M HN 0.363 nan 8.290 nan 0.000 0.430 374 V N 5.744 125.503 119.914 -0.257 0.000 2.487 374 V HA 0.481 4.639 4.120 0.063 0.000 0.298 374 V C -1.046 174.911 176.094 -0.228 0.000 1.028 374 V CA -0.801 61.330 62.300 -0.281 0.000 0.860 374 V CB 1.857 33.366 31.823 -0.523 0.000 0.991 374 V HN 0.662 nan 8.190 nan 0.000 0.427 375 L N 5.852 127.036 121.223 -0.064 0.000 2.277 375 L HA 0.499 4.877 4.340 0.063 0.000 0.284 375 L C 0.650 177.470 176.870 -0.083 0.000 1.028 375 L CA 0.032 54.852 54.840 -0.032 0.000 0.835 375 L CB 1.062 43.156 42.059 0.059 0.000 1.215 375 L HN 0.851 nan 8.230 nan 0.000 0.425 376 N N 2.156 120.718 118.700 -0.229 0.000 2.200 376 N HA 0.164 4.942 4.740 0.063 0.000 0.224 376 N C 0.101 175.481 175.510 -0.217 0.000 1.179 376 N CA -0.223 52.477 53.050 -0.584 0.000 0.877 376 N CB 0.734 38.531 38.487 -1.150 0.000 1.072 376 N HN 0.378 nan 8.380 nan 0.000 0.519 377 R N 0.127 120.587 120.500 -0.066 0.000 2.536 377 R HA 0.295 4.673 4.340 0.063 0.000 0.269 377 R C -1.270 174.997 176.300 -0.056 0.000 1.113 377 R CA -0.586 55.481 56.100 -0.054 0.000 0.948 377 R CB 1.331 31.597 30.300 -0.056 0.000 1.237 377 R HN 0.066 nan 8.270 nan 0.000 0.441 378 N N 3.167 121.709 118.700 -0.264 0.000 2.467 378 N HA 0.288 5.066 4.740 0.063 0.000 0.262 378 N C -2.271 173.165 175.510 -0.122 0.000 1.234 378 N CA -1.163 51.589 53.050 -0.496 0.000 0.952 378 N CB 0.611 38.142 38.487 -1.593 0.000 1.158 378 N HN 0.319 nan 8.380 nan 0.000 0.463 379 P HA 0.123 nan 4.420 nan 0.000 0.274 379 P C 0.122 177.587 177.300 0.276 0.000 1.260 379 P CA -0.113 63.163 63.100 0.295 0.000 0.793 379 P CB 1.105 33.027 31.700 0.370 0.000 1.048 380 D N -1.153 119.390 120.400 0.238 0.000 2.197 380 D HA -0.015 4.663 4.640 0.063 0.000 0.212 380 D C 0.436 176.905 176.300 0.282 0.000 0.963 380 D CA 1.337 55.474 54.000 0.228 0.000 0.864 380 D CB 0.153 41.030 40.800 0.129 0.000 1.009 380 D HN 0.376 nan 8.370 nan 0.000 0.479 381 N N -0.149 118.710 118.700 0.265 0.000 2.448 381 N HA 0.011 4.790 4.740 0.063 0.000 0.279 381 N C 0.131 175.848 175.510 0.345 0.000 1.025 381 N CA -0.331 52.894 53.050 0.291 0.000 0.898 381 N CB 1.556 40.184 38.487 0.235 0.000 1.303 381 N HN -0.148 nan 8.380 nan 0.000 0.495 382 F N 4.427 124.535 119.950 0.262 0.000 2.065 382 F HA -0.214 4.351 4.527 0.064 0.000 0.298 382 F C 1.740 177.676 175.800 0.225 0.000 1.112 382 F CA 1.644 59.800 58.000 0.260 0.000 1.212 382 F CB -0.162 38.967 39.000 0.215 0.000 0.975 382 F HN 0.619 nan 8.300 nan 0.000 0.476 383 F N 0.898 121.106 119.950 0.430 0.000 2.046 383 F HA -0.222 4.343 4.527 0.063 0.000 0.297 383 F C 2.358 178.228 175.800 0.117 0.000 1.123 383 F CA 2.060 60.227 58.000 0.279 0.000 1.199 383 F CB -1.039 38.088 39.000 0.211 0.000 0.972 383 F HN 0.012 nan 8.300 nan 0.000 0.474 384 A N -0.360 122.598 122.820 0.229 0.000 1.908 384 A HA -0.205 4.153 4.320 0.063 0.000 0.218 384 A C 2.082 179.602 177.584 -0.108 0.000 1.181 384 A CA 2.167 54.243 52.037 0.066 0.000 0.627 384 A CB -0.755 18.343 19.000 0.164 0.000 0.818 384 A HN 0.639 nan 8.150 nan 0.000 0.445 385 E N -1.526 118.626 120.200 -0.080 0.000 2.132 385 E HA -0.060 4.328 4.350 0.063 0.000 0.193 385 E C 1.998 178.519 176.600 -0.132 0.000 0.951 385 E CA 0.434 56.729 56.400 -0.176 0.000 0.843 385 E CB -0.143 29.494 29.700 -0.106 0.000 0.807 385 E HN 0.576 nan 8.360 nan 0.000 0.467 386 N N 1.445 120.058 118.700 -0.144 0.000 2.176 386 N HA -0.168 4.610 4.740 0.063 0.000 0.187 386 N C 1.843 177.201 175.510 -0.253 0.000 1.043 386 N CA 1.414 54.330 53.050 -0.223 0.000 0.851 386 N CB -0.015 37.956 38.487 -0.860 0.000 1.018 386 N HN -0.076 nan 8.380 nan 0.000 0.436 387 E N 0.838 120.831 120.200 -0.345 0.000 2.097 387 E HA -0.150 4.238 4.350 0.063 0.000 0.196 387 E C 1.809 178.232 176.600 -0.294 0.000 1.000 387 E CA 1.601 57.868 56.400 -0.221 0.000 0.804 387 E CB -0.203 29.392 29.700 -0.175 0.000 0.740 387 E HN 0.512 nan 8.360 nan 0.000 0.454 388 Q N -0.398 119.155 119.800 -0.412 0.000 2.451 388 Q HA 0.193 4.571 4.340 0.063 0.000 0.206 388 Q C 0.093 175.979 176.000 -0.190 0.000 0.947 388 Q CA 0.300 55.915 55.803 -0.314 0.000 0.937 388 Q CB 0.271 28.802 28.738 -0.345 0.000 1.025 388 Q HN 0.236 nan 8.270 nan 0.000 0.511 389 A N 1.224 123.952 122.820 -0.153 0.000 2.520 389 A HA 0.405 4.763 4.320 0.063 0.000 0.245 389 A C -0.123 177.350 177.584 -0.184 0.000 1.072 389 A CA 0.212 52.139 52.037 -0.183 0.000 0.761 389 A CB 0.177 19.128 19.000 -0.082 0.000 1.004 389 A HN 0.272 nan 8.150 nan 0.000 0.499 390 A N 2.812 125.482 122.820 -0.250 0.000 2.291 390 A HA 0.709 5.067 4.320 0.063 0.000 0.311 390 A C -0.730 176.739 177.584 -0.192 0.000 1.224 390 A CA -0.405 51.534 52.037 -0.163 0.000 0.821 390 A CB 0.181 19.058 19.000 -0.205 0.000 1.172 390 A HN 0.650 nan 8.150 nan 0.000 0.494 391 F N 1.034 120.987 119.950 0.005 0.000 2.450 391 F HA 0.627 5.191 4.527 0.063 0.000 0.332 391 F C 0.294 176.064 175.800 -0.050 0.000 1.093 391 F CA -0.111 57.871 58.000 -0.030 0.000 1.003 391 F CB 2.042 40.971 39.000 -0.119 0.000 1.151 391 F HN 0.754 nan 8.300 nan 0.000 0.474 392 H N 3.436 122.363 119.070 -0.239 0.000 3.042 392 H HA 0.294 4.893 4.556 0.072 0.000 0.345 392 H C -2.445 172.504 175.328 -0.633 0.000 1.052 392 H CA -1.837 53.818 56.048 -0.656 0.000 1.311 392 H CB 2.709 31.977 29.762 -0.823 0.000 1.810 392 H HN 0.182 nan 8.280 nan 0.000 0.505 393 P HA -0.029 nan 4.420 nan 0.000 0.225 393 P C 1.187 178.303 177.300 -0.305 0.000 1.148 393 P CA 1.422 64.171 63.100 -0.586 0.000 0.779 393 P CB 0.112 31.524 31.700 -0.480 0.000 0.780 394 G N -1.075 107.283 108.800 -0.737 0.000 2.534 394 G HA2 -0.150 3.848 3.960 0.063 0.000 0.217 394 G HA3 -0.150 3.848 3.960 0.063 0.000 0.217 394 G C 0.474 175.583 174.900 0.349 0.000 1.128 394 G CA -0.002 45.116 45.100 0.030 0.000 0.784 394 G HN 0.431 nan 8.290 nan 0.000 0.542 395 H N 0.852 120.036 119.070 0.190 0.000 3.216 395 H HA 0.321 4.911 4.556 0.058 0.000 0.263 395 H C 0.619 176.052 175.328 0.175 0.000 1.601 395 H CA -0.786 55.350 56.048 0.147 0.000 1.509 395 H CB -0.164 29.654 29.762 0.095 0.000 1.759 395 H HN 0.385 nan 8.280 nan 0.000 0.533 396 I N -0.497 120.206 120.570 0.222 0.000 3.205 396 I HA 0.673 4.881 4.170 0.063 0.000 0.310 396 I C -0.084 176.034 176.117 0.002 0.000 1.089 396 I CA -1.387 59.969 61.300 0.093 0.000 1.023 396 I CB 1.790 39.726 38.000 -0.106 0.000 1.269 396 I HN 0.106 nan 8.210 nan 0.000 0.512 397 V N -2.394 117.504 119.914 -0.026 0.000 3.130 397 V HA 0.658 4.816 4.120 0.063 0.000 0.310 397 V C -2.857 173.343 176.094 0.177 0.000 1.158 397 V CA -2.531 59.815 62.300 0.078 0.000 1.029 397 V CB 1.010 32.862 31.823 0.048 0.000 1.057 397 V HN 0.639 nan 8.190 nan 0.000 0.436 398 P HA 0.334 nan 4.420 nan 0.000 0.262 398 P C 0.943 178.233 177.300 -0.017 0.000 1.182 398 P CA 2.004 65.162 63.100 0.096 0.000 0.761 398 P CB 0.580 32.315 31.700 0.059 0.000 0.795 399 G N 1.625 110.363 108.800 -0.102 0.000 2.213 399 G HA2 -0.167 3.832 3.960 0.063 0.000 0.226 399 G HA3 -0.167 3.832 3.960 0.063 0.000 0.226 399 G C -0.252 174.554 174.900 -0.157 0.000 0.992 399 G CA -0.399 44.624 45.100 -0.128 0.000 0.632 399 G HN 0.458 nan 8.290 nan 0.000 0.511 400 L N 0.078 121.223 121.223 -0.130 0.000 2.323 400 L HA 0.908 5.286 4.340 0.063 0.000 0.265 400 L C -0.533 176.275 176.870 -0.103 0.000 1.012 400 L CA -1.038 53.705 54.840 -0.163 0.000 0.820 400 L CB 2.100 43.990 42.059 -0.282 0.000 1.334 400 L HN 0.111 nan 8.230 nan 0.000 0.427 401 D N -0.532 119.798 120.400 -0.116 0.000 2.665 401 D HA 0.453 5.131 4.640 0.063 0.000 0.287 401 D C -1.195 175.068 176.300 -0.061 0.000 1.266 401 D CA -0.342 53.562 54.000 -0.160 0.000 0.830 401 D CB 1.897 42.672 40.800 -0.041 0.000 1.356 401 D HN 0.117 nan 8.370 nan 0.000 0.437 402 F N -0.210 119.883 119.950 0.239 0.000 2.294 402 F HA 0.583 5.149 4.527 0.064 0.000 0.319 402 F C 1.457 177.298 175.800 0.068 0.000 1.107 402 F CA -0.242 57.838 58.000 0.134 0.000 1.094 402 F CB 1.031 40.074 39.000 0.072 0.000 1.508 402 F HN 0.248 nan 8.300 nan 0.000 0.506 403 T N -3.394 111.276 114.554 0.194 0.000 2.778 403 T HA 0.308 4.696 4.350 0.063 0.000 0.293 403 T C -0.235 174.500 174.700 0.058 0.000 1.144 403 T CA -0.969 61.212 62.100 0.135 0.000 1.010 403 T CB 1.259 70.181 68.868 0.090 0.000 1.325 403 T HN 0.338 nan 8.240 nan 0.000 0.515 404 N N 1.006 119.741 118.700 0.060 0.000 2.383 404 N HA 0.078 4.856 4.740 0.063 0.000 0.192 404 N C 0.020 175.532 175.510 0.004 0.000 1.141 404 N CA 0.046 53.113 53.050 0.029 0.000 0.851 404 N CB -0.379 38.143 38.487 0.059 0.000 0.976 404 N HN 0.698 nan 8.380 nan 0.000 0.465 405 D N 2.404 122.790 120.400 -0.023 0.000 2.662 405 D HA -0.090 4.588 4.640 0.063 0.000 0.237 405 D C -1.339 174.938 176.300 -0.038 0.000 1.154 405 D CA -0.827 53.175 54.000 0.002 0.000 0.861 405 D CB 1.195 41.937 40.800 -0.098 0.000 1.146 405 D HN 0.159 nan 8.370 nan 0.000 0.518 406 P HA -0.112 nan 4.420 nan 0.000 0.229 406 P C 1.518 178.827 177.300 0.014 0.000 1.160 406 P CA 0.173 63.279 63.100 0.010 0.000 0.777 406 P CB 0.397 32.096 31.700 -0.003 0.000 0.814 407 L N -0.118 121.130 121.223 0.041 0.000 2.084 407 L HA 0.008 4.386 4.340 0.063 0.000 0.202 407 L C 2.384 179.167 176.870 -0.145 0.000 1.074 407 L CA 1.287 56.151 54.840 0.040 0.000 0.757 407 L CB -1.645 40.527 42.059 0.189 0.000 0.918 407 L HN -0.179 nan 8.230 nan 0.000 0.444 408 L N -0.338 120.612 121.223 -0.455 0.000 2.043 408 L HA -0.246 4.132 4.340 0.063 0.000 0.212 408 L C 2.455 179.072 176.870 -0.423 0.000 1.075 408 L CA 1.843 56.202 54.840 -0.800 0.000 0.752 408 L CB -0.978 40.341 42.059 -1.234 0.000 0.891 408 L HN 0.399 nan 8.230 nan 0.000 0.432 409 Q N -0.073 119.551 119.800 -0.292 0.000 2.077 409 Q HA -0.178 4.200 4.340 0.063 0.000 0.206 409 Q C 2.126 178.048 176.000 -0.131 0.000 0.989 409 Q CA 1.952 57.631 55.803 -0.206 0.000 0.853 409 Q CB -0.915 27.750 28.738 -0.122 0.000 0.907 409 Q HN 0.712 nan 8.270 nan 0.000 0.418 410 G N 0.379 109.135 108.800 -0.074 0.000 2.448 410 G HA2 -0.206 3.792 3.960 0.063 0.000 0.218 410 G HA3 -0.206 3.792 3.960 0.063 0.000 0.218 410 G C 1.504 176.427 174.900 0.039 0.000 1.135 410 G CA 0.167 45.270 45.100 0.005 0.000 0.784 410 G HN 0.252 nan 8.290 nan 0.000 0.543 411 R N -0.109 120.366 120.500 -0.041 0.000 2.096 411 R HA 0.043 4.421 4.340 0.063 0.000 0.235 411 R C 2.472 178.850 176.300 0.129 0.000 1.127 411 R CA 0.799 56.929 56.100 0.049 0.000 0.968 411 R CB -0.448 29.838 30.300 -0.023 0.000 0.861 411 R HN 0.344 nan 8.270 nan 0.000 0.440 412 L N -0.350 120.848 121.223 -0.042 0.000 2.127 412 L HA -0.205 4.173 4.340 0.063 0.000 0.211 412 L C 2.310 179.325 176.870 0.242 0.000 1.089 412 L CA 1.187 56.029 54.840 0.004 0.000 0.757 412 L CB -0.492 41.427 42.059 -0.233 0.000 0.899 412 L HN 0.151 nan 8.230 nan 0.000 0.434 413 F N 0.247 120.235 119.950 0.064 0.000 2.128 413 F HA -0.193 4.355 4.527 0.035 0.000 0.295 413 F C 2.814 178.661 175.800 0.079 0.000 1.100 413 F CA 1.605 59.639 58.000 0.056 0.000 1.260 413 F CB -0.281 38.731 39.000 0.020 0.000 1.009 413 F HN -0.040 nan 8.300 nan 0.000 0.476 414 S N -0.675 115.052 115.700 0.044 0.000 2.368 414 S HA -0.224 4.284 4.470 0.063 0.000 0.224 414 S C 2.059 176.555 174.600 -0.173 0.000 1.029 414 S CA 1.492 59.610 58.200 -0.136 0.000 0.988 414 S CB -0.848 62.309 63.200 -0.072 0.000 0.838 414 S HN 0.552 nan 8.310 nan 0.000 0.462 415 Y N 1.472 121.764 120.300 -0.012 0.000 2.421 415 Y HA -0.029 4.556 4.550 0.058 0.000 0.292 415 Y C 2.857 178.486 175.900 -0.451 0.000 1.136 415 Y CA 1.208 59.292 58.100 -0.028 0.000 1.255 415 Y CB -0.577 38.312 38.460 0.715 0.000 0.991 415 Y HN 0.287 nan 8.280 nan 0.000 0.552 416 T N -0.866 113.370 114.554 -0.530 0.000 2.809 416 T HA -0.153 4.235 4.350 0.063 0.000 0.260 416 T C 1.381 175.901 174.700 -0.301 0.000 1.039 416 T CA 1.368 63.228 62.100 -0.399 0.000 1.141 416 T CB -0.373 68.313 68.868 -0.305 0.000 0.869 416 T HN 0.318 nan 8.240 nan 0.000 0.437 417 D N 1.074 121.231 120.400 -0.404 0.000 2.103 417 D HA -0.155 4.523 4.640 0.063 0.000 0.190 417 D C 2.290 178.446 176.300 -0.241 0.000 0.997 417 D CA 1.877 55.653 54.000 -0.374 0.000 0.833 417 D CB -0.647 39.747 40.800 -0.676 0.000 0.961 417 D HN 0.218 nan 8.370 nan 0.000 0.447 418 T N -1.073 113.333 114.554 -0.247 0.000 2.721 418 T HA -0.238 4.150 4.350 0.063 0.000 0.268 418 T C 1.710 176.298 174.700 -0.187 0.000 1.038 418 T CA 1.888 63.877 62.100 -0.185 0.000 1.145 418 T CB -0.288 68.464 68.868 -0.194 0.000 0.858 418 T HN 0.197 nan 8.240 nan 0.000 0.459 419 Q N 0.003 119.629 119.800 -0.289 0.000 2.488 419 Q HA 0.155 4.533 4.340 0.063 0.000 0.211 419 Q C 1.994 177.905 176.000 -0.148 0.000 0.967 419 Q CA 0.382 55.990 55.803 -0.325 0.000 0.926 419 Q CB -0.069 28.224 28.738 -0.741 0.000 0.992 419 Q HN 0.473 nan 8.270 nan 0.000 0.506 420 I N -0.087 120.437 120.570 -0.077 0.000 2.361 420 I HA -0.214 3.994 4.170 0.063 0.000 0.251 420 I C 2.067 178.186 176.117 0.004 0.000 1.133 420 I CA 1.625 62.930 61.300 0.009 0.000 1.413 420 I CB -1.225 36.783 38.000 0.013 0.000 1.073 420 I HN 0.261 nan 8.210 nan 0.000 0.424 421 S N 0.035 115.723 115.700 -0.021 0.000 2.460 421 S HA -0.008 4.500 4.470 0.063 0.000 0.226 421 S C 2.159 176.752 174.600 -0.012 0.000 1.057 421 S CA -0.078 58.118 58.200 -0.006 0.000 0.948 421 S CB -0.202 62.997 63.200 -0.002 0.000 0.822 421 S HN 0.266 nan 8.310 nan 0.000 0.512 422 R N 0.907 121.383 120.500 -0.040 0.000 2.081 422 R HA 0.158 4.536 4.340 0.063 0.000 0.235 422 R C 1.196 177.477 176.300 -0.032 0.000 1.131 422 R CA 1.505 57.581 56.100 -0.040 0.000 0.960 422 R CB -0.243 30.013 30.300 -0.073 0.000 0.856 422 R HN 0.458 nan 8.270 nan 0.000 0.436 423 L N -0.726 120.469 121.223 -0.046 0.000 2.910 423 L HA 0.333 4.711 4.340 0.063 0.000 0.252 423 L C 0.820 177.710 176.870 0.032 0.000 1.195 423 L CA 0.247 55.079 54.840 -0.014 0.000 1.003 423 L CB 1.154 43.199 42.059 -0.024 0.000 1.328 423 L HN 0.546 nan 8.230 nan 0.000 0.540 424 G N 0.043 108.861 108.800 0.030 0.000 2.184 424 G HA2 -0.152 3.846 3.960 0.063 0.000 0.264 424 G HA3 -0.152 3.846 3.960 0.063 0.000 0.264 424 G C 0.479 175.418 174.900 0.065 0.000 0.975 424 G CA 0.113 45.239 45.100 0.043 0.000 0.642 424 G HN 0.810 nan 8.290 nan 0.000 0.536 425 G N -1.783 107.075 108.800 0.098 0.000 2.341 425 G HA2 0.595 4.593 3.960 0.063 0.000 0.293 425 G HA3 0.595 4.593 3.960 0.063 0.000 0.293 425 G C -2.121 172.904 174.900 0.209 0.000 1.298 425 G CA 0.372 45.543 45.100 0.119 0.000 0.868 425 G HN 0.431 nan 8.290 nan 0.000 0.540 426 P HA 0.100 nan 4.420 nan 0.000 0.245 426 P C 0.386 177.708 177.300 0.037 0.000 1.206 426 P CA 0.411 63.599 63.100 0.146 0.000 0.781 426 P CB 0.200 31.951 31.700 0.086 0.000 0.994 427 N N 0.389 119.114 118.700 0.040 0.000 2.327 427 N HA 0.053 4.831 4.740 0.063 0.000 0.231 427 N C 1.022 176.406 175.510 -0.209 0.000 1.130 427 N CA -0.161 52.826 53.050 -0.105 0.000 0.845 427 N CB -0.608 37.842 38.487 -0.063 0.000 1.073 427 N HN 0.263 nan 8.380 nan 0.000 0.496 428 F N 0.911 120.847 119.950 -0.022 0.000 2.333 428 F HA -0.079 4.476 4.527 0.048 0.000 0.300 428 F C 2.223 177.964 175.800 -0.099 0.000 1.083 428 F CA 0.811 58.771 58.000 -0.067 0.000 1.395 428 F CB -0.752 38.228 39.000 -0.034 0.000 1.056 428 F HN 0.165 nan 8.300 nan 0.000 0.529 429 H N 0.456 119.153 119.070 -0.621 0.000 2.521 429 H HA 0.029 4.623 4.556 0.062 0.000 0.286 429 H C 0.915 176.097 175.328 -0.244 0.000 1.034 429 H CA 1.414 57.194 56.048 -0.445 0.000 1.278 429 H CB -0.823 28.538 29.762 -0.668 0.000 1.386 429 H HN 0.529 nan 8.280 nan 0.000 0.567 430 E N 0.944 120.731 120.200 -0.688 0.000 2.478 430 E HA 0.164 4.552 4.350 0.063 0.000 0.194 430 E C 0.345 176.833 176.600 -0.188 0.000 1.045 430 E CA -0.235 55.922 56.400 -0.404 0.000 0.868 430 E CB 0.434 29.913 29.700 -0.369 0.000 0.885 430 E HN 0.442 nan 8.360 nan 0.000 0.505 431 I N 2.723 123.205 120.570 -0.147 0.000 2.598 431 I HA -0.038 4.170 4.170 0.063 0.000 0.284 431 I C -1.535 174.525 176.117 -0.095 0.000 1.140 431 I CA -1.628 59.614 61.300 -0.097 0.000 1.420 431 I CB 0.596 38.552 38.000 -0.074 0.000 1.387 431 I HN -0.194 nan 8.210 nan 0.000 0.553 432 P HA -0.284 nan 4.420 nan 0.000 0.218 432 P C 1.742 178.974 177.300 -0.114 0.000 1.165 432 P CA 1.456 64.503 63.100 -0.088 0.000 0.922 432 P CB 0.146 31.801 31.700 -0.075 0.000 0.794 433 I N -0.734 119.741 120.570 -0.158 0.000 2.335 433 I HA -0.223 3.986 4.170 0.063 0.000 0.251 433 I C 1.409 177.453 176.117 -0.122 0.000 1.129 433 I CA 1.752 62.910 61.300 -0.236 0.000 1.402 433 I CB -0.784 36.963 38.000 -0.422 0.000 1.069 433 I HN -0.083 nan 8.210 nan 0.000 0.424 434 N N 0.731 119.377 118.700 -0.091 0.000 2.463 434 N HA 0.002 4.781 4.740 0.063 0.000 0.181 434 N C 0.275 175.790 175.510 0.009 0.000 1.078 434 N CA 0.244 53.270 53.050 -0.040 0.000 0.902 434 N CB -0.176 38.313 38.487 0.003 0.000 0.970 434 N HN 0.410 nan 8.380 nan 0.000 0.451 435 R N 1.674 122.176 120.500 0.003 0.000 2.489 435 R HA 0.162 4.540 4.340 0.063 0.000 0.287 435 R C -2.261 174.103 176.300 0.107 0.000 1.053 435 R CA -1.271 54.837 56.100 0.013 0.000 1.036 435 R CB -0.163 30.131 30.300 -0.010 0.000 0.966 435 R HN 0.020 nan 8.270 nan 0.000 0.432 436 P HA -0.037 nan 4.420 nan 0.000 0.269 436 P C 0.612 177.982 177.300 0.118 0.000 1.209 436 P CA 0.091 63.273 63.100 0.136 0.000 0.776 436 P CB 0.699 32.438 31.700 0.065 0.000 0.876 437 T N -2.248 112.384 114.554 0.130 0.000 3.057 437 T HA 0.038 4.427 4.350 0.063 0.000 0.254 437 T C 0.893 175.635 174.700 0.070 0.000 1.094 437 T CA 0.054 62.187 62.100 0.055 0.000 1.088 437 T CB -0.965 67.915 68.868 0.021 0.000 0.934 437 T HN 0.582 nan 8.240 nan 0.000 0.497 438 C N 1.670 121.029 119.300 0.098 0.000 2.422 438 C HA 0.752 5.251 4.460 0.063 0.000 0.364 438 C C -2.351 172.701 174.990 0.102 0.000 1.251 438 C CA -2.518 56.557 59.018 0.095 0.000 2.441 438 C CB 0.095 27.897 27.740 0.103 0.000 2.393 438 C HN 0.200 nan 8.230 nan 0.000 0.606 439 P HA 0.289 nan 4.420 nan 0.000 0.267 439 P C -1.184 176.200 177.300 0.140 0.000 1.200 439 P CA 0.465 63.634 63.100 0.115 0.000 0.772 439 P CB -0.042 31.768 31.700 0.183 0.000 0.855 440 Y N 0.240 120.458 120.300 -0.135 0.000 2.358 440 Y HA 0.604 5.191 4.550 0.063 0.000 0.324 440 Y C -1.704 173.937 175.900 -0.432 0.000 1.123 440 Y CA -0.859 57.145 58.100 -0.161 0.000 1.067 440 Y CB 1.088 39.466 38.460 -0.136 0.000 1.230 440 Y HN 0.432 nan 8.280 nan 0.000 0.429 441 H N 4.028 122.981 119.070 -0.195 0.000 2.966 441 H HA 0.531 5.125 4.556 0.063 0.000 0.347 441 H C -1.174 174.035 175.328 -0.199 0.000 1.048 441 H CA -0.782 55.079 56.048 -0.312 0.000 1.295 441 H CB 1.623 31.237 29.762 -0.247 0.000 1.744 441 H HN 0.878 nan 8.280 nan 0.000 0.513 442 N N 0.491 119.099 118.700 -0.154 0.000 3.439 442 N HA 0.254 5.032 4.740 0.063 0.000 0.313 442 N C -1.027 174.277 175.510 -0.343 0.000 1.598 442 N CA -0.946 51.985 53.050 -0.199 0.000 0.830 442 N CB 0.860 39.367 38.487 0.033 0.000 1.849 442 N HN 0.285 nan 8.380 nan 0.000 0.598 443 F N -0.516 119.471 119.950 0.062 0.000 2.639 443 F HA 0.359 4.920 4.527 0.057 0.000 0.302 443 F C 0.335 176.173 175.800 0.064 0.000 1.097 443 F CA -0.373 57.658 58.000 0.052 0.000 1.294 443 F CB 0.234 39.258 39.000 0.040 0.000 1.027 443 F HN 0.139 nan 8.300 nan 0.000 0.550 444 Q N 1.751 121.658 119.800 0.178 0.000 2.313 444 Q HA 0.350 4.728 4.340 0.063 0.000 0.266 444 Q C 0.085 176.158 176.000 0.121 0.000 0.989 444 Q CA 0.073 55.957 55.803 0.135 0.000 0.890 444 Q CB 0.996 29.791 28.738 0.094 0.000 1.200 444 Q HN 0.121 nan 8.270 nan 0.000 0.396 445 R N 1.855 122.421 120.500 0.110 0.000 2.855 445 R HA 0.357 4.735 4.340 0.063 0.000 0.266 445 R C -0.447 175.900 176.300 0.079 0.000 1.034 445 R CA -0.657 55.499 56.100 0.094 0.000 0.944 445 R CB 1.111 31.469 30.300 0.096 0.000 1.219 445 R HN 0.709 nan 8.270 nan 0.000 0.474 446 D N -0.141 120.298 120.400 0.066 0.000 3.307 446 D HA -0.222 4.456 4.640 0.063 0.000 0.197 446 D C 0.475 176.810 176.300 0.058 0.000 1.363 446 D CA 2.046 56.078 54.000 0.054 0.000 1.100 446 D CB -1.129 39.700 40.800 0.049 0.000 0.616 446 D HN 0.901 nan 8.370 nan 0.000 0.719 447 G N -1.388 107.444 108.800 0.054 0.000 2.699 447 G HA2 0.177 4.175 3.960 0.063 0.000 0.686 447 G HA3 0.177 4.175 3.960 0.063 0.000 0.686 447 G C -0.321 174.615 174.900 0.060 0.000 1.301 447 G CA 0.048 45.183 45.100 0.059 0.000 0.816 447 G HN 0.754 nan 8.290 nan 0.000 0.595 448 M N 1.054 120.695 119.600 0.068 0.000 2.251 448 M HA 0.451 4.970 4.480 0.063 0.000 0.343 448 M C 1.093 177.475 176.300 0.137 0.000 1.245 448 M CA 1.247 56.597 55.300 0.084 0.000 1.061 448 M CB -0.602 32.047 32.600 0.081 0.000 1.723 448 M HN 1.530 nan 8.290 nan 0.000 0.449 449 H N 1.047 120.123 119.070 0.008 0.000 2.604 449 H HA -0.195 4.398 4.556 0.061 0.000 0.321 449 H C -0.643 174.679 175.328 -0.010 0.000 1.132 449 H CA 0.619 56.668 56.048 0.002 0.000 1.129 449 H CB -0.593 29.171 29.762 0.005 0.000 1.526 449 H HN 0.626 nan 8.280 nan 0.000 0.415 450 R N 1.629 122.156 120.500 0.045 0.000 2.421 450 R HA 0.031 4.409 4.340 0.063 0.000 0.305 450 R C 0.911 177.215 176.300 0.007 0.000 1.039 450 R CA 0.107 56.225 56.100 0.031 0.000 1.003 450 R CB 0.266 30.579 30.300 0.021 0.000 0.959 450 R HN 0.413 nan 8.270 nan 0.000 0.427 451 M N 2.727 122.343 119.600 0.028 0.000 2.398 451 M HA 0.204 4.722 4.480 0.063 0.000 0.261 451 M C 0.926 177.224 176.300 -0.004 0.000 1.125 451 M CA 1.124 56.434 55.300 0.018 0.000 1.183 451 M CB -0.958 31.660 32.600 0.030 0.000 1.322 451 M HN 0.720 nan 8.290 nan 0.000 0.467 452 G N 2.016 110.815 108.800 -0.000 0.000 2.313 452 G HA2 0.323 4.321 3.960 0.063 0.000 0.250 452 G HA3 0.323 4.321 3.960 0.063 0.000 0.250 452 G C -0.312 174.581 174.900 -0.012 0.000 1.281 452 G CA -0.291 44.802 45.100 -0.010 0.000 0.917 452 G HN 0.342 nan 8.290 nan 0.000 0.501 453 I N 3.138 123.695 120.570 -0.022 0.000 2.307 453 I HA 0.096 4.304 4.170 0.063 0.000 0.287 453 I C -0.195 175.910 176.117 -0.020 0.000 1.054 453 I CA -0.503 60.787 61.300 -0.016 0.000 1.218 453 I CB 0.815 38.805 38.000 -0.016 0.000 1.398 453 I HN 0.372 nan 8.210 nan 0.000 0.475 454 D N 4.637 125.030 120.400 -0.011 0.000 2.351 454 D HA 0.079 4.757 4.640 0.063 0.000 0.251 454 D C 1.137 177.438 176.300 0.001 0.000 1.137 454 D CA 0.258 54.251 54.000 -0.012 0.000 0.879 454 D CB 1.865 42.664 40.800 -0.001 0.000 1.181 454 D HN 0.549 nan 8.370 nan 0.000 0.448 455 T N -0.973 113.580 114.554 -0.003 0.000 3.054 455 T HA -0.042 4.347 4.350 0.063 0.000 0.255 455 T C 0.783 175.492 174.700 0.014 0.000 1.035 455 T CA -0.557 61.546 62.100 0.004 0.000 0.941 455 T CB 0.179 69.043 68.868 -0.006 0.000 1.026 455 T HN 0.118 nan 8.240 nan 0.000 0.533 456 N N 3.410 122.119 118.700 0.016 0.000 2.411 456 N HA 0.102 4.880 4.740 0.063 0.000 0.261 456 N C -1.575 173.973 175.510 0.062 0.000 1.248 456 N CA -1.547 51.524 53.050 0.035 0.000 0.885 456 N CB 1.462 39.965 38.487 0.028 0.000 1.062 456 N HN 0.050 nan 8.380 nan 0.000 0.471 457 P HA -0.057 nan 4.420 nan 0.000 0.216 457 P C -0.422 176.939 177.300 0.101 0.000 1.150 457 P CA 1.124 64.269 63.100 0.076 0.000 0.843 457 P CB 0.146 31.887 31.700 0.068 0.000 0.787 458 A N 0.356 123.224 122.820 0.081 0.000 2.295 458 A HA 0.450 4.808 4.320 0.063 0.000 0.318 458 A C 0.459 178.139 177.584 0.160 0.000 1.134 458 A CA -0.555 51.484 52.037 0.004 0.000 0.827 458 A CB 0.066 18.847 19.000 -0.365 0.000 1.136 458 A HN 0.308 nan 8.150 nan 0.000 0.493 459 N N -0.649 118.171 118.700 0.200 0.000 2.377 459 N HA 0.371 5.150 4.740 0.063 0.000 0.259 459 N C -0.972 174.701 175.510 0.272 0.000 1.332 459 N CA -0.376 52.882 53.050 0.347 0.000 0.877 459 N CB 0.436 39.084 38.487 0.268 0.000 1.299 459 N HN 0.690 nan 8.380 nan 0.000 0.501 460 Y N -1.102 119.072 120.300 -0.210 0.000 2.624 460 Y HA 0.670 5.255 4.550 0.059 0.000 0.334 460 Y C -1.687 173.601 175.900 -1.020 0.000 1.155 460 Y CA -1.312 56.485 58.100 -0.505 0.000 1.046 460 Y CB 0.951 39.279 38.460 -0.221 0.000 1.316 460 Y HN 0.091 nan 8.280 nan 0.000 0.457 461 E N 0.888 120.631 120.200 -0.762 0.000 2.366 461 E HA 0.658 5.046 4.350 0.063 0.000 0.278 461 E C -3.212 173.282 176.600 -0.177 0.000 0.923 461 E CA -1.963 54.069 56.400 -0.613 0.000 0.761 461 E CB 1.780 31.057 29.700 -0.705 0.000 1.231 461 E HN 0.565 nan 8.360 nan 0.000 0.443 462 P HA 0.304 nan 4.420 nan 0.000 0.278 462 P C -1.284 175.980 177.300 -0.060 0.000 1.238 462 P CA -0.472 62.563 63.100 -0.108 0.000 0.794 462 P CB 0.540 32.209 31.700 -0.052 0.000 0.955 463 N N -1.409 117.180 118.700 -0.186 0.000 2.229 463 N HA 0.355 5.133 4.740 0.063 0.000 0.298 463 N C 0.275 175.746 175.510 -0.064 0.000 1.114 463 N CA -0.770 52.190 53.050 -0.151 0.000 0.776 463 N CB 1.531 39.647 38.487 -0.618 0.000 1.501 463 N HN 0.188 nan 8.380 nan 0.000 0.474 464 S N 0.780 116.488 115.700 0.015 0.000 2.497 464 S HA 0.001 4.509 4.470 0.063 0.000 0.218 464 S C 1.559 176.176 174.600 0.028 0.000 1.023 464 S CA -0.029 58.178 58.200 0.011 0.000 0.913 464 S CB -0.776 62.440 63.200 0.026 0.000 0.800 464 S HN 0.713 nan 8.310 nan 0.000 0.505 465 I N -0.532 120.065 120.570 0.045 0.000 2.614 465 I HA 0.165 4.373 4.170 0.063 0.000 0.258 465 I C 1.474 177.626 176.117 0.059 0.000 1.189 465 I CA 1.449 62.784 61.300 0.060 0.000 1.462 465 I CB -0.399 37.655 38.000 0.090 0.000 1.092 465 I HN 0.196 nan 8.210 nan 0.000 0.442 466 N N 1.017 119.750 118.700 0.055 0.000 2.235 466 N HA 0.016 4.794 4.740 0.063 0.000 0.231 466 N C -0.025 175.595 175.510 0.184 0.000 1.177 466 N CA 0.050 53.172 53.050 0.119 0.000 0.874 466 N CB 0.051 38.620 38.487 0.137 0.000 1.097 466 N HN 0.258 nan 8.380 nan 0.000 0.518 467 D N 0.689 121.140 120.400 0.086 0.000 2.772 467 D HA -0.251 4.427 4.640 0.063 0.000 0.233 467 D C -0.118 176.062 176.300 -0.201 0.000 1.143 467 D CA 1.028 55.036 54.000 0.014 0.000 0.700 467 D CB -1.520 39.360 40.800 0.133 0.000 1.076 467 D HN 0.446 nan 8.370 nan 0.000 0.430 468 N N -1.639 116.974 118.700 -0.145 0.000 2.800 468 N HA -0.244 4.534 4.740 0.063 0.000 0.250 468 N C -0.821 174.600 175.510 -0.149 0.000 1.078 468 N CA 1.467 54.406 53.050 -0.186 0.000 0.804 468 N CB -1.321 37.004 38.487 -0.269 0.000 1.135 468 N HN 0.539 nan 8.380 nan 0.000 0.565 469 W N 1.109 122.456 121.300 0.078 0.000 2.381 469 W HA 0.454 5.151 4.660 0.062 0.000 0.329 469 W C -1.694 174.826 176.519 0.003 0.000 1.157 469 W CA -1.678 55.685 57.345 0.030 0.000 1.240 469 W CB 0.558 29.989 29.460 -0.048 0.000 1.199 469 W HN -0.039 nan 8.180 nan 0.000 0.579 470 P HA 0.174 nan 4.420 nan 0.000 0.275 470 P C -0.604 176.819 177.300 0.205 0.000 1.227 470 P CA -0.121 63.093 63.100 0.191 0.000 0.781 470 P CB 0.924 32.595 31.700 -0.048 0.000 0.906 471 R N 1.430 122.058 120.500 0.215 0.000 2.536 471 R HA 0.308 4.686 4.340 0.063 0.000 0.279 471 R C 0.421 176.762 176.300 0.068 0.000 1.001 471 R CA -0.779 55.322 56.100 0.001 0.000 1.027 471 R CB 0.944 31.037 30.300 -0.345 0.000 1.096 471 R HN 0.492 nan 8.270 nan 0.000 0.502 472 E N 0.644 120.870 120.200 0.043 0.000 2.422 472 E HA 0.028 4.416 4.350 0.063 0.000 0.260 472 E C -0.544 176.084 176.600 0.047 0.000 1.108 472 E CA 0.647 57.083 56.400 0.059 0.000 0.943 472 E CB 0.649 30.375 29.700 0.044 0.000 0.961 472 E HN 0.365 nan 8.360 nan 0.000 0.443 473 T N 3.440 118.032 114.554 0.062 0.000 2.840 473 T HA 0.323 4.711 4.350 0.063 0.000 0.287 473 T C -2.439 172.287 174.700 0.044 0.000 0.991 473 T CA -1.624 60.510 62.100 0.056 0.000 0.964 473 T CB 1.366 70.278 68.868 0.074 0.000 0.954 473 T HN 0.242 nan 8.240 nan 0.000 0.438 474 P HA 0.178 nan 4.420 nan 0.000 0.267 474 P C -2.458 174.850 177.300 0.013 0.000 1.201 474 P CA -1.062 62.047 63.100 0.016 0.000 0.775 474 P CB -0.446 31.258 31.700 0.008 0.000 0.854 475 P HA 0.318 nan 4.420 nan 0.000 0.272 475 P C 0.037 177.326 177.300 -0.018 0.000 1.223 475 P CA 0.313 63.400 63.100 -0.022 0.000 0.784 475 P CB 0.636 32.304 31.700 -0.054 0.000 0.923 476 G N 0.659 109.446 108.800 -0.023 0.000 2.488 476 G HA2 0.409 4.407 3.960 0.063 0.000 0.301 476 G HA3 0.409 4.407 3.960 0.063 0.000 0.301 476 G C -2.569 172.319 174.900 -0.021 0.000 1.339 476 G CA -0.750 44.341 45.100 -0.016 0.000 0.803 476 G HN 0.118 nan 8.290 nan 0.000 0.482 477 P HA 0.094 nan 4.420 nan 0.000 0.217 477 P C 0.278 177.571 177.300 -0.012 0.000 1.151 477 P CA 1.149 64.238 63.100 -0.018 0.000 0.828 477 P CB 0.262 31.955 31.700 -0.013 0.000 0.788 478 K N -1.415 118.985 120.400 0.000 0.000 2.502 478 K HA 0.387 4.745 4.320 0.063 0.000 0.257 478 K C -0.182 176.432 176.600 0.023 0.000 0.938 478 K CA -0.858 55.436 56.287 0.012 0.000 0.819 478 K CB 1.941 34.449 32.500 0.014 0.000 1.333 478 K HN -0.342 nan 8.250 nan 0.000 0.434 479 R N -0.330 120.192 120.500 0.036 0.000 3.641 479 R HA -0.145 4.233 4.340 0.063 0.000 0.286 479 R C -0.120 176.209 176.300 0.048 0.000 1.153 479 R CA 0.969 57.098 56.100 0.048 0.000 0.775 479 R CB -2.145 28.182 30.300 0.046 0.000 1.215 479 R HN 0.949 nan 8.270 nan 0.000 0.474 480 G N -0.964 107.860 108.800 0.040 0.000 2.488 480 G HA2 0.630 4.628 3.960 0.063 0.000 0.318 480 G HA3 0.630 4.628 3.960 0.063 0.000 0.318 480 G C 0.340 175.274 174.900 0.056 0.000 1.188 480 G CA 0.079 45.201 45.100 0.036 0.000 0.944 480 G HN 0.247 nan 8.290 nan 0.000 0.495 481 G N -1.237 107.599 108.800 0.060 0.000 2.572 481 G HA2 0.410 4.409 3.960 0.063 0.000 0.261 481 G HA3 0.410 4.409 3.960 0.063 0.000 0.261 481 G C -0.635 174.328 174.900 0.104 0.000 1.197 481 G CA -0.564 44.596 45.100 0.099 0.000 0.870 481 G HN 0.468 nan 8.290 nan 0.000 0.548 482 F N 0.331 120.299 119.950 0.029 0.000 2.495 482 F HA 0.369 4.937 4.527 0.069 0.000 0.365 482 F C 0.567 176.384 175.800 0.027 0.000 1.090 482 F CA -0.129 57.885 58.000 0.022 0.000 1.235 482 F CB 0.853 39.869 39.000 0.027 0.000 1.119 482 F HN 0.440 nan 8.300 nan 0.000 0.562 483 E N 4.196 124.056 120.200 -0.566 0.000 2.256 483 E HA 0.299 4.687 4.350 0.063 0.000 0.268 483 E C -1.175 175.131 176.600 -0.489 0.000 0.877 483 E CA -0.780 55.446 56.400 -0.291 0.000 0.757 483 E CB 1.538 31.142 29.700 -0.159 0.000 1.183 483 E HN 0.618 nan 8.360 nan 0.000 0.418 484 S N 2.686 118.323 115.700 -0.106 0.000 2.564 484 S HA 0.002 4.510 4.470 0.063 0.000 0.278 484 S C -0.543 174.049 174.600 -0.014 0.000 1.333 484 S CA -0.343 57.868 58.200 0.019 0.000 1.048 484 S CB 0.114 63.449 63.200 0.225 0.000 0.900 484 S HN 0.477 nan 8.310 nan 0.000 0.505 485 Y N 2.796 123.037 120.300 -0.099 0.000 2.717 485 Y HA -0.033 4.554 4.550 0.062 0.000 0.330 485 Y C 0.802 176.686 175.900 -0.026 0.000 1.217 485 Y CA 0.171 58.221 58.100 -0.083 0.000 1.506 485 Y CB 0.149 38.559 38.460 -0.083 0.000 1.268 485 Y HN 0.580 nan 8.280 nan 0.000 0.561 486 Q N 5.486 124.901 119.800 -0.642 0.000 3.184 486 Q HA 0.023 4.401 4.340 0.063 0.000 0.288 486 Q C -0.240 175.450 176.000 -0.516 0.000 1.412 486 Q CA -0.062 55.478 55.803 -0.439 0.000 0.991 486 Q CB -0.159 28.399 28.738 -0.300 0.000 1.688 486 Q HN 0.653 nan 8.270 nan 0.000 0.554 487 E N 1.531 121.523 120.200 -0.347 0.000 2.384 487 E HA 0.003 4.391 4.350 0.063 0.000 0.266 487 E C -0.223 176.348 176.600 -0.047 0.000 1.012 487 E CA -0.543 55.790 56.400 -0.112 0.000 0.901 487 E CB 0.646 30.425 29.700 0.133 0.000 0.967 487 E HN 0.122 nan 8.360 nan 0.000 0.435 488 R N 3.245 123.739 120.500 -0.009 0.000 2.401 488 R HA 0.176 4.554 4.340 0.063 0.000 0.299 488 R C -1.497 174.827 176.300 0.040 0.000 1.064 488 R CA -0.138 55.967 56.100 0.008 0.000 1.000 488 R CB 0.648 30.961 30.300 0.021 0.000 0.973 488 R HN 0.289 nan 8.270 nan 0.000 0.438 489 V N 5.151 125.081 119.914 0.027 0.000 2.417 489 V HA 0.423 4.582 4.120 0.063 0.000 0.291 489 V C -0.441 175.668 176.094 0.024 0.000 1.024 489 V CA -0.532 61.789 62.300 0.035 0.000 0.861 489 V CB 1.616 33.457 31.823 0.030 0.000 0.985 489 V HN 0.815 nan 8.190 nan 0.000 0.436 490 E N 2.756 122.971 120.200 0.026 0.000 2.378 490 E HA 0.652 5.040 4.350 0.063 0.000 0.282 490 E C -0.205 176.402 176.600 0.012 0.000 0.910 490 E CA -0.302 56.107 56.400 0.015 0.000 0.816 490 E CB 2.066 31.774 29.700 0.013 0.000 1.359 490 E HN 0.982 nan 8.360 nan 0.000 0.397 491 G N 2.327 111.130 108.800 0.004 0.000 2.338 491 G HA2 0.182 4.180 3.960 0.063 0.000 0.295 491 G HA3 0.182 4.180 3.960 0.063 0.000 0.295 491 G C -1.428 173.467 174.900 -0.007 0.000 1.461 491 G CA -1.003 44.096 45.100 -0.002 0.000 0.817 491 G HN 0.345 nan 8.290 nan 0.000 0.556 492 N N -0.094 118.599 118.700 -0.012 0.000 2.476 492 N HA 0.419 5.197 4.740 0.063 0.000 0.275 492 N C -0.192 175.307 175.510 -0.019 0.000 1.190 492 N CA -0.544 52.497 53.050 -0.015 0.000 0.977 492 N CB 1.001 39.478 38.487 -0.016 0.000 1.200 492 N HN 0.373 nan 8.380 nan 0.000 0.515 493 K N 1.233 121.620 120.400 -0.020 0.000 2.294 493 K HA 0.157 4.515 4.320 0.063 0.000 0.288 493 K C -0.715 175.865 176.600 -0.034 0.000 1.072 493 K CA -0.176 56.095 56.287 -0.026 0.000 0.960 493 K CB -0.336 32.150 32.500 -0.024 0.000 1.043 493 K HN 0.338 nan 8.250 nan 0.000 0.455 494 V N 0.116 120.005 119.914 -0.041 0.000 2.914 494 V HA 0.493 4.651 4.120 0.063 0.000 0.314 494 V C -0.307 175.748 176.094 -0.065 0.000 1.084 494 V CA -1.333 60.938 62.300 -0.048 0.000 0.963 494 V CB 2.076 33.872 31.823 -0.045 0.000 1.025 494 V HN 0.586 nan 8.190 nan 0.000 0.432 495 R N 2.029 122.486 120.500 -0.072 0.000 2.937 495 R HA 0.518 4.896 4.340 0.063 0.000 0.264 495 R C -0.471 175.780 176.300 -0.083 0.000 1.334 495 R CA -0.105 55.939 56.100 -0.095 0.000 1.516 495 R CB 0.631 30.863 30.300 -0.114 0.000 1.187 495 R HN 0.929 nan 8.270 nan 0.000 0.609 496 E N 1.621 121.770 120.200 -0.086 0.000 2.308 496 E HA 0.252 4.640 4.350 0.063 0.000 0.275 496 E C -1.167 175.363 176.600 -0.116 0.000 0.890 496 E CA -1.078 55.274 56.400 -0.081 0.000 0.754 496 E CB 1.686 31.347 29.700 -0.066 0.000 1.207 496 E HN 0.073 nan 8.360 nan 0.000 0.426 497 R N 1.743 122.178 120.500 -0.108 0.000 2.438 497 R HA 0.181 4.559 4.340 0.063 0.000 0.287 497 R C -0.482 175.695 176.300 -0.205 0.000 1.077 497 R CA 0.126 56.122 56.100 -0.172 0.000 1.034 497 R CB 1.079 31.335 30.300 -0.072 0.000 0.993 497 R HN 0.397 nan 8.270 nan 0.000 0.459 498 S N 4.798 120.251 115.700 -0.413 0.000 2.560 498 S HA 0.116 4.624 4.470 0.063 0.000 0.284 498 S C -1.541 173.031 174.600 -0.048 0.000 1.327 498 S CA -1.211 56.846 58.200 -0.238 0.000 1.055 498 S CB 0.665 63.690 63.200 -0.292 0.000 0.868 498 S HN 0.570 nan 8.310 nan 0.000 0.506 499 P HA -0.077 nan 4.420 nan 0.000 0.218 499 P C 1.461 178.816 177.300 0.091 0.000 1.149 499 P CA 1.131 64.258 63.100 0.045 0.000 0.817 499 P CB -0.154 31.564 31.700 0.029 0.000 0.785 500 S N -2.013 113.784 115.700 0.161 0.000 2.474 500 S HA -0.087 4.421 4.470 0.063 0.000 0.235 500 S C 1.450 176.195 174.600 0.241 0.000 0.997 500 S CA 0.779 59.095 58.200 0.194 0.000 0.949 500 S CB -1.356 61.987 63.200 0.240 0.000 0.766 500 S HN -0.035 nan 8.310 nan 0.000 0.517 501 F N 2.229 122.160 119.950 -0.030 0.000 2.743 501 F HA 0.382 4.947 4.527 0.063 0.000 0.297 501 F C 2.084 177.800 175.800 -0.140 0.000 1.131 501 F CA -0.772 57.202 58.000 -0.043 0.000 1.426 501 F CB -0.798 38.211 39.000 0.014 0.000 1.116 501 F HN 0.344 nan 8.300 nan 0.000 0.583 502 G N 0.545 109.347 108.800 0.003 0.000 3.397 502 G HA2 0.020 4.018 3.960 0.063 0.000 0.248 502 G HA3 0.020 4.018 3.960 0.063 0.000 0.248 502 G C 0.074 174.551 174.900 -0.706 0.000 1.284 502 G CA 0.207 45.139 45.100 -0.279 0.000 1.570 502 G HN 0.063 nan 8.290 nan 0.000 0.587 503 E N 0.010 119.700 120.200 -0.851 0.000 2.260 503 E HA 0.308 4.696 4.350 0.063 0.000 0.266 503 E C -0.858 175.285 176.600 -0.762 0.000 0.887 503 E CA -0.801 55.171 56.400 -0.712 0.000 0.777 503 E CB 1.388 30.931 29.700 -0.262 0.000 1.205 503 E HN 0.234 nan 8.360 nan 0.000 0.414 504 Y N 2.722 122.805 120.300 -0.361 0.000 2.453 504 Y HA 0.192 4.780 4.550 0.063 0.000 0.247 504 Y C 0.740 176.354 175.900 -0.476 0.000 1.124 504 Y CA -0.135 57.671 58.100 -0.490 0.000 1.243 504 Y CB 0.362 38.404 38.460 -0.696 0.000 1.213 504 Y HN 0.414 nan 8.280 nan 0.000 0.523 505 Y N -1.081 119.306 120.300 0.145 0.000 2.498 505 Y HA 0.071 4.659 4.550 0.064 0.000 0.259 505 Y C 2.432 178.394 175.900 0.103 0.000 1.086 505 Y CA 0.098 58.277 58.100 0.132 0.000 1.287 505 Y CB -0.427 38.117 38.460 0.140 0.000 1.146 505 Y HN 0.081 nan 8.280 nan 0.000 0.523 506 S N -0.576 115.249 115.700 0.209 0.000 2.382 506 S HA -0.216 4.292 4.470 0.063 0.000 0.228 506 S C 1.640 176.303 174.600 0.105 0.000 1.027 506 S CA 1.614 59.917 58.200 0.171 0.000 0.991 506 S CB -0.796 62.511 63.200 0.179 0.000 0.823 506 S HN 0.546 nan 8.310 nan 0.000 0.469 507 H N 2.473 121.449 119.070 -0.157 0.000 2.333 507 H HA 0.057 4.651 4.556 0.064 0.000 0.302 507 H C -0.474 174.681 175.328 -0.288 0.000 1.075 507 H CA 1.384 57.181 56.048 -0.418 0.000 1.348 507 H CB -1.376 27.855 29.762 -0.884 0.000 1.393 507 H HN 0.402 nan 8.280 nan 0.000 0.509 508 P HA -0.201 nan 4.420 nan 0.000 0.216 508 P C 1.655 179.145 177.300 0.316 0.000 1.157 508 P CA 1.596 64.867 63.100 0.284 0.000 0.880 508 P CB -0.138 31.742 31.700 0.300 0.000 0.791 509 R N -0.512 120.122 120.500 0.223 0.000 2.073 509 R HA -0.104 4.274 4.340 0.063 0.000 0.229 509 R C 2.181 178.609 176.300 0.214 0.000 1.120 509 R CA 1.009 57.245 56.100 0.226 0.000 0.967 509 R CB -1.046 29.348 30.300 0.157 0.000 0.862 509 R HN 0.056 nan 8.270 nan 0.000 0.436 510 L N 0.697 121.985 121.223 0.109 0.000 2.013 510 L HA -0.179 4.199 4.340 0.063 0.000 0.212 510 L C 2.004 178.926 176.870 0.087 0.000 1.073 510 L CA 1.844 56.709 54.840 0.041 0.000 0.753 510 L CB -0.831 41.170 42.059 -0.096 0.000 0.890 510 L HN 0.242 nan 8.230 nan 0.000 0.432 511 F N -0.733 119.242 119.950 0.041 0.000 2.075 511 F HA -0.281 4.284 4.527 0.064 0.000 0.297 511 F C 2.358 178.163 175.800 0.009 0.000 1.113 511 F CA 2.241 60.246 58.000 0.008 0.000 1.218 511 F CB -0.699 38.336 39.000 0.058 0.000 0.984 511 F HN 0.400 nan 8.300 nan 0.000 0.472 512 W N 1.412 122.727 121.300 0.026 0.000 2.318 512 W HA -0.263 4.435 4.660 0.063 0.000 0.313 512 W C 1.756 178.159 176.519 -0.194 0.000 1.221 512 W CA 1.945 59.243 57.345 -0.078 0.000 1.266 512 W CB -0.744 28.752 29.460 0.061 0.000 1.150 512 W HN 0.097 nan 8.180 nan 0.000 0.496 513 L N 1.084 122.240 121.223 -0.113 0.000 2.362 513 L HA -0.149 4.229 4.340 0.063 0.000 0.219 513 L C 2.381 179.058 176.870 -0.321 0.000 1.134 513 L CA 1.020 55.711 54.840 -0.249 0.000 0.807 513 L CB -0.697 41.337 42.059 -0.041 0.000 0.927 513 L HN -0.149 nan 8.230 nan 0.000 0.447 514 S N -1.402 114.089 115.700 -0.348 0.000 2.527 514 S HA 0.040 4.548 4.470 0.063 0.000 0.222 514 S C 0.763 175.075 174.600 -0.481 0.000 0.985 514 S CA 0.159 58.148 58.200 -0.353 0.000 0.921 514 S CB 0.008 63.025 63.200 -0.305 0.000 0.772 514 S HN 0.312 nan 8.310 nan 0.000 0.529 515 Q N 2.129 121.543 119.800 -0.644 0.000 2.260 515 Q HA 0.276 4.654 4.340 0.063 0.000 0.242 515 Q C 0.601 176.217 176.000 -0.640 0.000 0.932 515 Q CA -0.102 55.289 55.803 -0.687 0.000 0.891 515 Q CB 0.322 28.593 28.738 -0.779 0.000 1.222 515 Q HN 0.411 nan 8.270 nan 0.000 0.453 516 T N -1.918 112.214 114.554 -0.703 0.000 2.766 516 T HA 0.156 4.544 4.350 0.063 0.000 0.295 516 T C -1.735 172.503 174.700 -0.769 0.000 1.024 516 T CA -1.361 60.287 62.100 -0.754 0.000 1.018 516 T CB 0.300 68.483 68.868 -1.142 0.000 1.002 516 T HN 0.215 nan 8.240 nan 0.000 0.532 517 P HA -0.065 nan 4.420 nan 0.000 0.215 517 P C 1.441 178.516 177.300 -0.374 0.000 1.153 517 P CA 1.193 64.063 63.100 -0.384 0.000 0.853 517 P CB -0.287 31.305 31.700 -0.180 0.000 0.788 518 F N -0.068 119.682 119.950 -0.334 0.000 2.259 518 F HA 0.029 4.594 4.527 0.063 0.000 0.298 518 F C 1.836 177.254 175.800 -0.637 0.000 1.088 518 F CA 0.853 58.585 58.000 -0.447 0.000 1.358 518 F CB -1.636 37.090 39.000 -0.457 0.000 1.040 518 F HN -0.085 nan 8.300 nan 0.000 0.505 519 E N 0.556 120.207 120.200 -0.914 0.000 2.106 519 E HA -0.191 4.197 4.350 0.063 0.000 0.192 519 E C 2.219 178.630 176.600 -0.315 0.000 0.984 519 E CA 1.297 57.379 56.400 -0.530 0.000 0.806 519 E CB -0.262 29.094 29.700 -0.572 0.000 0.750 519 E HN 0.621 nan 8.360 nan 0.000 0.458 520 Q N 0.379 119.911 119.800 -0.447 0.000 2.084 520 Q HA -0.179 4.199 4.340 0.063 0.000 0.202 520 Q C 2.312 178.326 176.000 0.024 0.000 0.978 520 Q CA 1.047 56.613 55.803 -0.396 0.000 0.844 520 Q CB -0.190 28.036 28.738 -0.853 0.000 0.898 520 Q HN 0.143 nan 8.270 nan 0.000 0.426 521 R N 0.409 120.903 120.500 -0.009 0.000 2.091 521 R HA -0.179 4.199 4.340 0.063 0.000 0.238 521 R C 1.770 178.242 176.300 0.286 0.000 1.136 521 R CA 1.693 57.882 56.100 0.148 0.000 0.959 521 R CB -0.229 30.138 30.300 0.112 0.000 0.856 521 R HN 0.516 nan 8.270 nan 0.000 0.437 522 H N -0.285 118.881 119.070 0.160 0.000 2.387 522 H HA -0.079 4.515 4.556 0.063 0.000 0.299 522 H C 2.254 177.699 175.328 0.195 0.000 1.090 522 H CA 1.300 57.457 56.048 0.181 0.000 1.332 522 H CB 0.017 29.895 29.762 0.194 0.000 1.386 522 H HN 0.228 nan 8.280 nan 0.000 0.516 523 I N 0.193 120.978 120.570 0.358 0.000 2.179 523 I HA -0.259 3.949 4.170 0.063 0.000 0.242 523 I C 2.341 178.739 176.117 0.470 0.000 1.088 523 I CA 0.792 62.337 61.300 0.408 0.000 1.357 523 I CB -0.200 38.126 38.000 0.544 0.000 1.051 523 I HN 0.087 nan 8.210 nan 0.000 0.409 524 V N 1.057 121.239 119.914 0.446 0.000 2.255 524 V HA -0.332 3.826 4.120 0.063 0.000 0.247 524 V C 2.095 178.360 176.094 0.285 0.000 1.051 524 V CA 2.210 64.723 62.300 0.354 0.000 1.018 524 V CB -0.685 31.311 31.823 0.287 0.000 0.641 524 V HN 0.428 nan 8.190 nan 0.000 0.445 525 D N 0.333 120.885 120.400 0.252 0.000 2.144 525 D HA -0.110 4.568 4.640 0.063 0.000 0.199 525 D C 2.148 178.525 176.300 0.129 0.000 0.984 525 D CA 1.566 55.681 54.000 0.192 0.000 0.834 525 D CB -0.606 40.311 40.800 0.194 0.000 0.955 525 D HN 0.495 nan 8.370 nan 0.000 0.465 526 G N 0.101 108.958 108.800 0.095 0.000 2.433 526 G HA2 -0.244 3.754 3.960 0.063 0.000 0.216 526 G HA3 -0.244 3.754 3.960 0.063 0.000 0.216 526 G C 1.470 176.384 174.900 0.023 0.000 1.186 526 G CA 0.179 45.251 45.100 -0.046 0.000 0.779 526 G HN 0.165 nan 8.290 nan 0.000 0.543 527 F N 1.895 121.878 119.950 0.055 0.000 2.134 527 F HA -0.074 4.491 4.527 0.063 0.000 0.299 527 F C 3.161 178.868 175.800 -0.156 0.000 1.097 527 F CA 1.610 59.573 58.000 -0.061 0.000 1.264 527 F CB -0.256 38.723 39.000 -0.036 0.000 1.001 527 F HN 0.091 nan 8.300 nan 0.000 0.479 528 S N -0.041 115.747 115.700 0.147 0.000 2.355 528 S HA -0.209 4.299 4.470 0.063 0.000 0.222 528 S C 1.874 176.490 174.600 0.026 0.000 1.031 528 S CA 1.241 59.475 58.200 0.057 0.000 0.993 528 S CB -0.883 62.373 63.200 0.095 0.000 0.859 528 S HN 0.406 nan 8.310 nan 0.000 0.453 529 F N 2.723 122.630 119.950 -0.072 0.000 2.046 529 F HA -0.162 4.403 4.527 0.063 0.000 0.297 529 F C 2.471 178.202 175.800 -0.115 0.000 1.123 529 F CA 1.677 59.623 58.000 -0.091 0.000 1.199 529 F CB -0.283 38.593 39.000 -0.207 0.000 0.972 529 F HN 0.109 nan 8.300 nan 0.000 0.474 530 E N 0.692 120.805 120.200 -0.147 0.000 2.038 530 E HA -0.251 4.137 4.350 0.063 0.000 0.195 530 E C 2.360 178.709 176.600 -0.418 0.000 1.000 530 E CA 1.887 58.154 56.400 -0.223 0.000 0.803 530 E CB -0.681 29.028 29.700 0.015 0.000 0.750 530 E HN 0.497 nan 8.360 nan 0.000 0.448 531 L N 1.404 122.312 121.223 -0.526 0.000 2.191 531 L HA -0.154 4.224 4.340 0.063 0.000 0.212 531 L C 2.739 179.434 176.870 -0.292 0.000 1.103 531 L CA 1.197 55.735 54.840 -0.504 0.000 0.769 531 L CB -0.527 41.264 42.059 -0.447 0.000 0.908 531 L HN 0.155 nan 8.230 nan 0.000 0.438 532 S N -0.697 114.850 115.700 -0.255 0.000 2.442 532 S HA -0.123 4.385 4.470 0.063 0.000 0.236 532 S C 1.766 176.251 174.600 -0.192 0.000 1.007 532 S CA 0.681 58.765 58.200 -0.193 0.000 0.965 532 S CB -0.125 62.971 63.200 -0.173 0.000 0.773 532 S HN 0.294 nan 8.310 nan 0.000 0.504 533 K N 1.147 121.404 120.400 -0.239 0.000 2.404 533 K HA 0.325 4.683 4.320 0.063 0.000 0.194 533 K C -0.074 176.508 176.600 -0.030 0.000 1.023 533 K CA 0.002 56.205 56.287 -0.141 0.000 1.094 533 K CB 0.082 32.475 32.500 -0.177 0.000 0.841 533 K HN 0.324 nan 8.250 nan 0.000 0.523 534 V N 2.315 122.190 119.914 -0.064 0.000 2.427 534 V HA -0.001 4.158 4.120 0.063 0.000 0.268 534 V C 1.774 177.848 176.094 -0.033 0.000 1.046 534 V CA -0.083 62.207 62.300 -0.017 0.000 0.970 534 V CB 1.204 32.989 31.823 -0.062 0.000 1.001 534 V HN -0.124 nan 8.190 nan 0.000 0.476 535 V N 5.243 125.161 119.914 0.006 0.000 2.358 535 V HA -0.086 4.072 4.120 0.063 0.000 0.246 535 V C 1.357 177.432 176.094 -0.032 0.000 1.047 535 V CA 1.395 63.696 62.300 0.001 0.000 1.035 535 V CB -0.458 31.385 31.823 0.033 0.000 0.658 535 V HN 0.776 nan 8.190 nan 0.000 0.452 536 R N 1.018 121.470 120.500 -0.080 0.000 2.242 536 R HA 0.167 4.545 4.340 0.063 0.000 0.334 536 R C -1.724 174.442 176.300 -0.224 0.000 1.071 536 R CA -1.385 54.628 56.100 -0.146 0.000 0.922 536 R CB 0.438 30.569 30.300 -0.282 0.000 1.023 536 R HN 0.270 nan 8.270 nan 0.000 0.458 537 P HA -0.201 nan 4.420 nan 0.000 0.218 537 P C 0.786 178.057 177.300 -0.048 0.000 1.149 537 P CA 1.139 64.207 63.100 -0.054 0.000 0.817 537 P CB -0.027 31.678 31.700 0.009 0.000 0.785 538 Y N -1.130 119.171 120.300 0.002 0.000 2.274 538 Y HA -0.095 4.493 4.550 0.063 0.000 0.290 538 Y C 1.997 177.904 175.900 0.011 0.000 1.145 538 Y CA 0.747 58.849 58.100 0.003 0.000 1.203 538 Y CB -1.785 36.677 38.460 0.003 0.000 0.984 538 Y HN -0.131 nan 8.280 nan 0.000 0.533 539 I N 1.050 121.210 120.570 -0.683 0.000 2.179 539 I HA -0.279 3.929 4.170 0.063 0.000 0.242 539 I C 2.552 178.590 176.117 -0.131 0.000 1.088 539 I CA 1.637 62.714 61.300 -0.371 0.000 1.357 539 I CB -0.452 37.312 38.000 -0.393 0.000 1.051 539 I HN 0.234 nan 8.210 nan 0.000 0.409 540 R N 0.909 121.321 120.500 -0.146 0.000 2.083 540 R HA -0.191 4.187 4.340 0.063 0.000 0.237 540 R C 2.111 178.369 176.300 -0.070 0.000 1.137 540 R CA 1.529 57.558 56.100 -0.119 0.000 0.951 540 R CB -0.523 29.701 30.300 -0.126 0.000 0.851 540 R HN 0.482 nan 8.270 nan 0.000 0.434 541 E N 0.653 120.833 120.200 -0.034 0.000 2.077 541 E HA -0.175 4.213 4.350 0.063 0.000 0.193 541 E C 2.179 178.788 176.600 0.016 0.000 0.989 541 E CA 1.019 57.418 56.400 -0.003 0.000 0.800 541 E CB -0.075 29.644 29.700 0.031 0.000 0.746 541 E HN 0.315 nan 8.360 nan 0.000 0.452 542 R N 0.364 120.891 120.500 0.044 0.000 2.096 542 R HA -0.110 4.269 4.340 0.063 0.000 0.235 542 R C 2.435 178.763 176.300 0.047 0.000 1.127 542 R CA 1.075 57.211 56.100 0.061 0.000 0.968 542 R CB -0.256 30.100 30.300 0.095 0.000 0.861 542 R HN 0.049 nan 8.270 nan 0.000 0.440 543 V N 0.284 120.224 119.914 0.044 0.000 2.358 543 V HA -0.190 3.968 4.120 0.063 0.000 0.246 543 V C 2.276 178.357 176.094 -0.022 0.000 1.047 543 V CA 1.433 63.772 62.300 0.065 0.000 1.035 543 V CB -0.249 31.639 31.823 0.108 0.000 0.658 543 V HN 0.126 nan 8.190 nan 0.000 0.452 544 V N 0.541 120.416 119.914 -0.064 0.000 2.343 544 V HA -0.313 3.845 4.120 0.063 0.000 0.247 544 V C 2.308 178.362 176.094 -0.066 0.000 1.051 544 V CA 2.472 64.709 62.300 -0.105 0.000 1.036 544 V CB -0.670 31.096 31.823 -0.095 0.000 0.654 544 V HN 0.659 nan 8.190 nan 0.000 0.451 545 D N -0.775 119.619 120.400 -0.010 0.000 2.123 545 D HA -0.204 4.474 4.640 0.063 0.000 0.196 545 D C 2.274 178.650 176.300 0.126 0.000 0.992 545 D CA 1.227 55.254 54.000 0.045 0.000 0.833 545 D CB -0.023 40.819 40.800 0.070 0.000 0.954 545 D HN 0.339 nan 8.370 nan 0.000 0.455 546 Q N -0.270 119.574 119.800 0.074 0.000 2.119 546 Q HA -0.080 4.298 4.340 0.063 0.000 0.201 546 Q C 2.553 178.580 176.000 0.045 0.000 0.972 546 Q CA 0.641 56.493 55.803 0.081 0.000 0.847 546 Q CB -0.190 28.610 28.738 0.102 0.000 0.903 546 Q HN 0.466 nan 8.270 nan 0.000 0.433 547 L N 0.051 121.237 121.223 -0.062 0.000 2.131 547 L HA -0.121 4.258 4.340 0.063 0.000 0.210 547 L C 2.335 179.094 176.870 -0.185 0.000 1.092 547 L CA 0.929 55.657 54.840 -0.187 0.000 0.759 547 L CB -0.638 41.203 42.059 -0.363 0.000 0.903 547 L HN 0.088 nan 8.230 nan 0.000 0.435 548 A N -0.797 121.937 122.820 -0.143 0.000 2.121 548 A HA -0.190 4.168 4.320 0.063 0.000 0.218 548 A C 1.704 179.105 177.584 -0.304 0.000 1.154 548 A CA 1.189 53.103 52.037 -0.205 0.000 0.679 548 A CB -0.714 18.171 19.000 -0.192 0.000 0.795 548 A HN 0.447 nan 8.150 nan 0.000 0.458 549 H N -1.284 117.567 119.070 -0.366 0.000 2.551 549 H HA 0.272 4.867 4.556 0.064 0.000 0.266 549 H C 1.566 176.611 175.328 -0.472 0.000 0.964 549 H CA 0.925 56.613 56.048 -0.601 0.000 1.180 549 H CB 0.089 29.024 29.762 -1.378 0.000 1.408 549 H HN 0.505 nan 8.280 nan 0.000 0.563 550 I N -1.139 119.329 120.570 -0.170 0.000 2.681 550 I HA 0.083 4.291 4.170 0.063 0.000 0.247 550 I C -0.136 175.906 176.117 -0.125 0.000 1.091 550 I CA 0.480 61.749 61.300 -0.051 0.000 1.442 550 I CB 0.659 38.661 38.000 0.003 0.000 1.219 550 I HN 0.084 nan 8.210 nan 0.000 0.451 551 D N -1.125 119.129 120.400 -0.243 0.000 2.871 551 D HA 0.233 4.911 4.640 0.063 0.000 0.209 551 D C 0.051 176.188 176.300 -0.271 0.000 1.292 551 D CA -0.415 53.427 54.000 -0.263 0.000 0.869 551 D CB 1.412 41.936 40.800 -0.460 0.000 1.663 551 D HN -0.192 nan 8.370 nan 0.000 0.557 552 L N 2.329 123.452 121.223 -0.167 0.000 2.141 552 L HA 0.028 4.406 4.340 0.063 0.000 0.209 552 L C 2.256 179.055 176.870 -0.119 0.000 1.094 552 L CA 1.661 56.416 54.840 -0.141 0.000 0.763 552 L CB -0.821 41.181 42.059 -0.097 0.000 0.908 552 L HN 0.633 nan 8.230 nan 0.000 0.437 553 T N -0.364 114.148 114.554 -0.069 0.000 2.708 553 T HA -0.192 4.196 4.350 0.063 0.000 0.266 553 T C 1.831 176.495 174.700 -0.060 0.000 1.037 553 T CA 1.608 63.714 62.100 0.010 0.000 1.146 553 T CB -0.318 68.648 68.868 0.163 0.000 0.865 553 T HN 0.217 nan 8.240 nan 0.000 0.435 554 L N 1.644 122.675 121.223 -0.319 0.000 2.005 554 L HA 0.132 4.510 4.340 0.063 0.000 0.207 554 L C 2.609 179.253 176.870 -0.377 0.000 1.072 554 L CA 2.079 56.549 54.840 -0.616 0.000 0.744 554 L CB -1.245 39.928 42.059 -1.476 0.000 0.895 554 L HN 0.191 nan 8.230 nan 0.000 0.433 555 A N -0.892 121.722 122.820 -0.345 0.000 1.883 555 A HA -0.302 4.056 4.320 0.063 0.000 0.217 555 A C 2.290 179.773 177.584 -0.167 0.000 1.186 555 A CA 2.141 54.024 52.037 -0.258 0.000 0.624 555 A CB -0.800 18.069 19.000 -0.218 0.000 0.822 555 A HN 0.692 nan 8.150 nan 0.000 0.444 556 Q N -1.087 118.639 119.800 -0.124 0.000 2.124 556 Q HA -0.079 4.299 4.340 0.063 0.000 0.202 556 Q C 2.397 178.371 176.000 -0.044 0.000 0.977 556 Q CA 1.259 57.020 55.803 -0.070 0.000 0.850 556 Q CB -0.326 28.385 28.738 -0.045 0.000 0.901 556 Q HN 0.709 nan 8.270 nan 0.000 0.429 557 A N -0.137 122.663 122.820 -0.034 0.000 1.930 557 A HA -0.120 4.238 4.320 0.063 0.000 0.217 557 A C 2.224 179.810 177.584 0.002 0.000 1.175 557 A CA 1.188 53.234 52.037 0.015 0.000 0.627 557 A CB -0.498 18.547 19.000 0.075 0.000 0.815 557 A HN 0.218 nan 8.150 nan 0.000 0.443 558 V N -0.118 119.768 119.914 -0.047 0.000 2.307 558 V HA -0.207 3.951 4.120 0.063 0.000 0.245 558 V C 3.069 179.130 176.094 -0.056 0.000 1.045 558 V CA 1.788 64.056 62.300 -0.053 0.000 1.024 558 V CB -1.309 30.427 31.823 -0.145 0.000 0.651 558 V HN 0.597 nan 8.190 nan 0.000 0.449 559 A N -0.118 122.658 122.820 -0.074 0.000 1.917 559 A HA -0.325 4.033 4.320 0.063 0.000 0.219 559 A C 2.364 179.929 177.584 -0.032 0.000 1.182 559 A CA 2.463 54.465 52.037 -0.059 0.000 0.633 559 A CB -0.571 18.392 19.000 -0.062 0.000 0.819 559 A HN 0.521 nan 8.150 nan 0.000 0.448 560 K N -0.643 119.747 120.400 -0.018 0.000 2.057 560 K HA -0.179 4.179 4.320 0.063 0.000 0.207 560 K C 1.465 178.070 176.600 0.008 0.000 1.049 560 K CA 1.522 57.809 56.287 -0.001 0.000 0.931 560 K CB -0.226 32.280 32.500 0.010 0.000 0.714 560 K HN 0.428 nan 8.250 nan 0.000 0.440 561 N N 0.827 119.535 118.700 0.014 0.000 2.381 561 N HA -0.091 4.687 4.740 0.063 0.000 0.182 561 N C 1.386 176.900 175.510 0.008 0.000 1.025 561 N CA 0.799 53.864 53.050 0.025 0.000 0.888 561 N CB 0.067 38.581 38.487 0.043 0.000 0.965 561 N HN 0.257 nan 8.380 nan 0.000 0.438 562 L N -0.755 120.460 121.223 -0.013 0.000 2.607 562 L HA 0.243 4.621 4.340 0.063 0.000 0.228 562 L C 0.894 177.752 176.870 -0.020 0.000 1.123 562 L CA -0.074 54.749 54.840 -0.028 0.000 0.890 562 L CB -0.120 41.907 42.059 -0.053 0.000 1.103 562 L HN 0.086 nan 8.230 nan 0.000 0.468 563 G N 1.583 110.377 108.800 -0.010 0.000 2.221 563 G HA2 -0.289 3.709 3.960 0.063 0.000 0.265 563 G HA3 -0.289 3.709 3.960 0.063 0.000 0.265 563 G C 0.008 174.902 174.900 -0.011 0.000 1.041 563 G CA 0.129 45.226 45.100 -0.006 0.000 0.807 563 G HN 0.326 nan 8.290 nan 0.000 0.502 564 I N -0.552 120.007 120.570 -0.018 0.000 2.460 564 I HA 0.503 4.711 4.170 0.063 0.000 0.298 564 I C 0.184 176.288 176.117 -0.021 0.000 0.989 564 I CA -0.935 60.352 61.300 -0.021 0.000 1.173 564 I CB 1.847 39.828 38.000 -0.032 0.000 1.338 564 I HN 0.074 nan 8.210 nan 0.000 0.456 565 E N 5.479 125.668 120.200 -0.018 0.000 2.133 565 E HA 0.413 4.801 4.350 0.063 0.000 0.274 565 E C -1.016 175.569 176.600 -0.025 0.000 0.930 565 E CA -0.472 55.916 56.400 -0.019 0.000 0.770 565 E CB 0.977 30.669 29.700 -0.013 0.000 1.104 565 E HN 0.373 nan 8.360 nan 0.000 0.403 566 L N 3.735 124.938 121.223 -0.033 0.000 2.453 566 L HA 0.174 4.552 4.340 0.063 0.000 0.272 566 L C 1.004 177.854 176.870 -0.033 0.000 1.182 566 L CA -0.236 54.580 54.840 -0.040 0.000 0.858 566 L CB 0.314 42.340 42.059 -0.055 0.000 1.120 566 L HN 0.660 nan 8.230 nan 0.000 0.474 567 T N -2.077 112.458 114.554 -0.032 0.000 2.788 567 T HA 0.066 4.454 4.350 0.063 0.000 0.287 567 T C 0.780 175.460 174.700 -0.034 0.000 1.007 567 T CA -0.738 61.346 62.100 -0.027 0.000 1.005 567 T CB 1.069 69.924 68.868 -0.021 0.000 1.012 567 T HN 0.509 nan 8.240 nan 0.000 0.530 568 D N 0.368 120.751 120.400 -0.028 0.000 2.144 568 D HA -0.052 4.626 4.640 0.063 0.000 0.199 568 D C 1.671 177.947 176.300 -0.039 0.000 0.984 568 D CA 1.151 55.133 54.000 -0.031 0.000 0.834 568 D CB -0.358 40.429 40.800 -0.022 0.000 0.955 568 D HN 0.614 nan 8.370 nan 0.000 0.465 569 D N 0.403 120.780 120.400 -0.038 0.000 2.117 569 D HA -0.114 4.564 4.640 0.063 0.000 0.197 569 D C 2.080 178.334 176.300 -0.077 0.000 0.987 569 D CA 0.758 54.730 54.000 -0.047 0.000 0.829 569 D CB -0.210 40.571 40.800 -0.033 0.000 0.961 569 D HN 0.288 nan 8.370 nan 0.000 0.460 570 Q N -0.281 119.472 119.800 -0.078 0.000 2.124 570 Q HA -0.041 4.337 4.340 0.063 0.000 0.202 570 Q C 2.270 178.196 176.000 -0.123 0.000 0.977 570 Q CA 0.671 56.406 55.803 -0.114 0.000 0.850 570 Q CB -0.059 28.627 28.738 -0.087 0.000 0.901 570 Q HN 0.316 nan 8.270 nan 0.000 0.429 571 L N 0.537 121.708 121.223 -0.087 0.000 2.275 571 L HA -0.125 4.253 4.340 0.063 0.000 0.215 571 L C 1.459 178.281 176.870 -0.081 0.000 1.119 571 L CA 0.560 55.353 54.840 -0.078 0.000 0.790 571 L CB -0.157 41.869 42.059 -0.054 0.000 0.919 571 L HN 0.219 nan 8.230 nan 0.000 0.443 572 N N 0.096 118.746 118.700 -0.083 0.000 2.235 572 N HA 0.225 5.003 4.740 0.063 0.000 0.209 572 N C 0.232 175.681 175.510 -0.102 0.000 1.122 572 N CA 0.013 53.017 53.050 -0.076 0.000 0.845 572 N CB 0.596 39.050 38.487 -0.054 0.000 1.004 572 N HN 0.250 nan 8.380 nan 0.000 0.499 573 I N 1.744 122.219 120.570 -0.158 0.000 2.533 573 I HA -0.026 4.182 4.170 0.063 0.000 0.284 573 I C 0.478 176.499 176.117 -0.160 0.000 1.109 573 I CA 0.196 61.366 61.300 -0.217 0.000 1.412 573 I CB 0.555 38.299 38.000 -0.427 0.000 1.396 573 I HN -0.153 nan 8.210 nan 0.000 0.543 574 T N 8.088 122.576 114.554 -0.110 0.000 2.834 574 T HA 0.156 4.544 4.350 0.063 0.000 0.298 574 T C -2.040 172.623 174.700 -0.062 0.000 0.966 574 T CA -0.951 61.111 62.100 -0.063 0.000 1.141 574 T CB -0.023 68.830 68.868 -0.026 0.000 0.905 574 T HN 0.383 nan 8.240 nan 0.000 0.535 575 P HA 0.163 nan 4.420 nan 0.000 0.267 575 P C -2.412 174.903 177.300 0.024 0.000 1.200 575 P CA -1.293 61.794 63.100 -0.021 0.000 0.772 575 P CB -0.559 31.141 31.700 -0.001 0.000 0.855 576 P HA 0.207 nan 4.420 nan 0.000 0.269 576 P C -2.413 174.940 177.300 0.089 0.000 1.215 576 P CA -1.231 61.938 63.100 0.114 0.000 0.780 576 P CB -1.076 30.738 31.700 0.190 0.000 0.898 577 P HA 0.079 nan 4.420 nan 0.000 0.269 577 P C -0.149 177.198 177.300 0.079 0.000 1.217 577 P CA 0.287 63.433 63.100 0.076 0.000 0.783 577 P CB 0.259 32.006 31.700 0.078 0.000 0.898 578 D N -0.166 120.273 120.400 0.065 0.000 2.360 578 D HA 0.093 4.771 4.640 0.063 0.000 0.242 578 D C -0.173 176.170 176.300 0.071 0.000 1.184 578 D CA -0.003 54.031 54.000 0.056 0.000 0.930 578 D CB 0.497 41.325 40.800 0.046 0.000 1.161 578 D HN -0.032 nan 8.370 nan 0.000 0.447 579 V N 2.247 122.191 119.914 0.050 0.000 2.353 579 V HA 0.053 4.211 4.120 0.063 0.000 0.264 579 V C 0.171 176.352 176.094 0.144 0.000 1.049 579 V CA -0.408 61.947 62.300 0.092 0.000 0.896 579 V CB -0.406 31.373 31.823 -0.074 0.000 1.025 579 V HN 0.595 nan 8.190 nan 0.000 0.475 580 N N 4.550 123.354 118.700 0.173 0.000 2.714 580 N HA -0.230 4.548 4.740 0.063 0.000 0.252 580 N C 1.177 176.744 175.510 0.095 0.000 1.014 580 N CA 0.916 54.050 53.050 0.141 0.000 0.735 580 N CB -0.855 37.752 38.487 0.201 0.000 0.924 580 N HN 1.261 nan 8.380 nan 0.000 0.540 581 G N -1.783 107.060 108.800 0.072 0.000 2.179 581 G HA2 -0.338 3.660 3.960 0.063 0.000 0.260 581 G HA3 -0.338 3.660 3.960 0.063 0.000 0.260 581 G C 0.147 175.074 174.900 0.045 0.000 0.977 581 G CA 0.376 45.507 45.100 0.051 0.000 0.641 581 G HN 0.414 nan 8.290 nan 0.000 0.533 582 L N 0.297 121.550 121.223 0.050 0.000 2.319 582 L HA 0.382 4.761 4.340 0.063 0.000 0.280 582 L C 1.508 178.390 176.870 0.019 0.000 1.099 582 L CA -0.256 54.604 54.840 0.033 0.000 0.828 582 L CB 1.082 43.160 42.059 0.032 0.000 1.150 582 L HN 0.066 nan 8.230 nan 0.000 0.442 583 K N 3.150 123.557 120.400 0.011 0.000 2.358 583 K HA 0.135 4.493 4.320 0.063 0.000 0.197 583 K C -0.322 176.270 176.600 -0.013 0.000 1.025 583 K CA 0.129 56.419 56.287 0.006 0.000 1.104 583 K CB 0.438 32.941 32.500 0.005 0.000 0.855 583 K HN 0.577 nan 8.250 nan 0.000 0.531 584 K N -0.311 120.077 120.400 -0.021 0.000 2.736 584 K HA 0.213 4.571 4.320 0.063 0.000 0.290 584 K C -2.191 174.389 176.600 -0.033 0.000 1.033 584 K CA -0.946 55.313 56.287 -0.048 0.000 0.852 584 K CB 1.232 33.686 32.500 -0.077 0.000 1.494 584 K HN -0.222 nan 8.250 nan 0.000 0.378 585 D N 1.365 121.737 120.400 -0.047 0.000 2.354 585 D HA 0.268 4.946 4.640 0.063 0.000 0.230 585 D C -2.252 174.027 176.300 -0.036 0.000 1.361 585 D CA -1.745 52.246 54.000 -0.014 0.000 0.992 585 D CB 2.112 42.926 40.800 0.022 0.000 1.409 585 D HN 0.262 nan 8.370 nan 0.000 0.573 586 P HA -0.101 nan 4.420 nan 0.000 0.225 586 P C 1.309 178.600 177.300 -0.015 0.000 1.148 586 P CA 0.826 63.895 63.100 -0.052 0.000 0.779 586 P CB 0.180 31.860 31.700 -0.034 0.000 0.780 587 S N -0.965 114.759 115.700 0.041 0.000 2.474 587 S HA -0.056 4.452 4.470 0.063 0.000 0.235 587 S C 1.719 176.407 174.600 0.147 0.000 0.997 587 S CA 0.752 59.015 58.200 0.105 0.000 0.949 587 S CB -1.390 61.899 63.200 0.148 0.000 0.766 587 S HN 0.141 nan 8.310 nan 0.000 0.517 588 L N 1.257 122.531 121.223 0.085 0.000 2.492 588 L HA 0.196 4.575 4.340 0.063 0.000 0.223 588 L C 1.453 178.218 176.870 -0.175 0.000 1.132 588 L CA 0.162 55.046 54.840 0.073 0.000 0.850 588 L CB -0.299 41.777 42.059 0.028 0.000 0.966 588 L HN 0.334 nan 8.230 nan 0.000 0.454 589 S N -0.412 115.168 115.700 -0.201 0.000 2.586 589 S HA 0.294 4.803 4.470 0.063 0.000 0.274 589 S C 1.052 175.529 174.600 -0.204 0.000 1.281 589 S CA -0.627 57.395 58.200 -0.296 0.000 1.035 589 S CB 1.393 64.416 63.200 -0.294 0.000 0.962 589 S HN 0.159 nan 8.310 nan 0.000 0.512 590 L N 3.220 124.241 121.223 -0.336 0.000 2.109 590 L HA 0.028 4.406 4.340 0.063 0.000 0.207 590 L C 0.874 177.464 176.870 -0.467 0.000 1.086 590 L CA 1.102 55.660 54.840 -0.471 0.000 0.760 590 L CB -0.271 41.238 42.059 -0.917 0.000 0.910 590 L HN 0.773 nan 8.230 nan 0.000 0.437 591 Y N -2.223 118.080 120.300 0.006 0.000 2.453 591 Y HA 0.354 4.943 4.550 0.064 0.000 0.247 591 Y C 2.161 178.078 175.900 0.029 0.000 1.124 591 Y CA -0.166 57.984 58.100 0.084 0.000 1.243 591 Y CB -0.591 37.972 38.460 0.171 0.000 1.213 591 Y HN -0.039 nan 8.280 nan 0.000 0.523 592 A N 1.106 123.942 122.820 0.027 0.000 1.903 592 A HA -0.141 4.218 4.320 0.063 0.000 0.219 592 A C 0.987 178.605 177.584 0.056 0.000 1.191 592 A CA 1.288 53.320 52.037 -0.008 0.000 0.638 592 A CB -0.898 18.049 19.000 -0.089 0.000 0.823 592 A HN 0.319 nan 8.150 nan 0.000 0.451 593 I N 1.198 121.805 120.570 0.063 0.000 2.330 593 I HA 0.242 4.450 4.170 0.063 0.000 0.286 593 I C -2.414 173.772 176.117 0.116 0.000 1.025 593 I CA -2.217 59.129 61.300 0.077 0.000 1.197 593 I CB 1.227 39.261 38.000 0.056 0.000 1.358 593 I HN 0.034 nan 8.210 nan 0.000 0.467 594 P HA -0.064 nan 4.420 nan 0.000 0.261 594 P C -0.191 177.185 177.300 0.127 0.000 1.165 594 P CA 0.456 63.647 63.100 0.152 0.000 0.759 594 P CB 0.418 32.192 31.700 0.123 0.000 0.772 595 D N 1.098 121.583 120.400 0.143 0.000 2.783 595 D HA 0.053 4.731 4.640 0.063 0.000 0.306 595 D C 0.231 176.595 176.300 0.107 0.000 1.633 595 D CA -0.365 53.702 54.000 0.112 0.000 0.796 595 D CB -0.406 40.459 40.800 0.108 0.000 1.230 595 D HN 0.339 nan 8.370 nan 0.000 0.441 596 G N 0.745 109.615 108.800 0.117 0.000 2.367 596 G HA2 0.316 4.314 3.960 0.063 0.000 0.280 596 G HA3 0.316 4.314 3.960 0.063 0.000 0.280 596 G C -0.639 174.300 174.900 0.065 0.000 1.175 596 G CA -0.086 45.076 45.100 0.103 0.000 1.001 596 G HN 0.141 nan 8.290 nan 0.000 0.437 597 D N 1.797 122.227 120.400 0.050 0.000 2.308 597 D HA 0.236 4.914 4.640 0.063 0.000 0.242 597 D C 1.203 177.516 176.300 0.021 0.000 1.059 597 D CA -0.712 53.304 54.000 0.028 0.000 0.830 597 D CB 2.030 42.841 40.800 0.017 0.000 1.161 597 D HN 0.220 nan 8.370 nan 0.000 0.494 598 V N 1.764 121.684 119.914 0.009 0.000 3.506 598 V HA 0.227 4.385 4.120 0.063 0.000 0.263 598 V C 0.943 177.021 176.094 -0.027 0.000 1.203 598 V CA 0.022 62.322 62.300 0.001 0.000 1.133 598 V CB -0.802 31.018 31.823 -0.005 0.000 0.802 598 V HN 0.389 nan 8.190 nan 0.000 0.459 599 K N 1.476 121.852 120.400 -0.039 0.000 2.472 599 K HA 0.396 4.754 4.320 0.063 0.000 0.280 599 K C 1.234 177.796 176.600 -0.064 0.000 1.028 599 K CA 1.308 57.551 56.287 -0.074 0.000 1.045 599 K CB 0.078 32.538 32.500 -0.066 0.000 0.902 599 K HN 0.757 nan 8.250 nan 0.000 0.478 600 G N 3.102 111.836 108.800 -0.109 0.000 2.217 600 G HA2 -0.225 3.774 3.960 0.063 0.000 0.246 600 G HA3 -0.225 3.774 3.960 0.063 0.000 0.246 600 G C 0.059 175.003 174.900 0.074 0.000 0.990 600 G CA -0.105 44.995 45.100 0.001 0.000 0.627 600 G HN 0.572 nan 8.290 nan 0.000 0.522 601 R N -0.057 120.459 120.500 0.027 0.000 2.738 601 R HA 0.665 5.043 4.340 0.063 0.000 0.275 601 R C 0.091 176.450 176.300 0.099 0.000 1.121 601 R CA 0.080 56.224 56.100 0.074 0.000 1.207 601 R CB 0.867 31.203 30.300 0.059 0.000 1.141 601 R HN 0.751 nan 8.270 nan 0.000 0.571 602 V N 0.298 120.285 119.914 0.122 0.000 2.841 602 V HA 0.446 4.604 4.120 0.063 0.000 0.310 602 V C -1.083 175.075 176.094 0.108 0.000 1.090 602 V CA -0.744 61.640 62.300 0.139 0.000 0.930 602 V CB 2.463 34.391 31.823 0.176 0.000 1.014 602 V HN 0.358 nan 8.190 nan 0.000 0.425 603 V N 5.651 125.623 119.914 0.096 0.000 2.513 603 V HA 0.808 4.966 4.120 0.063 0.000 0.299 603 V C 0.525 176.671 176.094 0.087 0.000 1.035 603 V CA -0.146 62.201 62.300 0.078 0.000 0.889 603 V CB 1.680 33.535 31.823 0.053 0.000 0.988 603 V HN 1.198 nan 8.190 nan 0.000 0.440 604 A N 6.027 128.905 122.820 0.096 0.000 2.320 604 A HA 0.757 5.115 4.320 0.063 0.000 0.287 604 A C -0.419 177.171 177.584 0.010 0.000 1.181 604 A CA -0.275 51.807 52.037 0.075 0.000 0.831 604 A CB -0.022 19.070 19.000 0.152 0.000 1.102 604 A HN 0.768 nan 8.150 nan 0.000 0.513 605 I N 3.664 124.235 120.570 0.002 0.000 2.330 605 I HA 0.202 4.410 4.170 0.063 0.000 0.289 605 I C -0.530 175.581 176.117 -0.009 0.000 1.001 605 I CA -0.222 61.078 61.300 -0.001 0.000 1.193 605 I CB 1.332 39.343 38.000 0.019 0.000 1.345 605 I HN 0.489 nan 8.210 nan 0.000 0.461 606 L N 7.451 128.659 121.223 -0.025 0.000 2.312 606 L HA 0.391 4.769 4.340 0.063 0.000 0.287 606 L C 0.050 176.999 176.870 0.132 0.000 1.091 606 L CA -0.307 54.575 54.840 0.070 0.000 0.846 606 L CB 0.142 42.131 42.059 -0.116 0.000 1.219 606 L HN 0.460 nan 8.230 nan 0.000 0.439 607 L N 3.547 124.876 121.223 0.176 0.000 2.468 607 L HA 0.330 4.708 4.340 0.063 0.000 0.254 607 L C 0.146 177.148 176.870 0.220 0.000 1.171 607 L CA -0.391 54.505 54.840 0.095 0.000 0.809 607 L CB 0.862 42.877 42.059 -0.073 0.000 1.155 607 L HN 0.689 nan 8.230 nan 0.000 0.473 608 N N -2.246 116.490 118.700 0.060 0.000 2.697 608 N HA 0.244 5.022 4.740 0.063 0.000 0.272 608 N C -0.659 174.784 175.510 -0.112 0.000 1.381 608 N CA -0.805 52.326 53.050 0.135 0.000 0.797 608 N CB 0.793 39.378 38.487 0.165 0.000 1.523 608 N HN 0.518 nan 8.380 nan 0.000 0.518 609 D N -1.941 118.441 120.400 -0.031 0.000 2.324 609 D HA 0.067 4.745 4.640 0.063 0.000 0.235 609 D C -0.264 176.000 176.300 -0.061 0.000 1.095 609 D CA 0.459 54.397 54.000 -0.104 0.000 0.871 609 D CB -0.051 40.766 40.800 0.028 0.000 0.906 609 D HN 0.646 nan 8.370 nan 0.000 0.522 610 E N 0.103 120.278 120.200 -0.041 0.000 3.844 610 E HA 0.179 4.567 4.350 0.063 0.000 0.260 610 E C -1.377 175.206 176.600 -0.028 0.000 1.163 610 E CA -0.406 55.976 56.400 -0.030 0.000 1.261 610 E CB 0.308 30.002 29.700 -0.010 0.000 1.261 610 E HN -0.075 nan 8.360 nan 0.000 0.399 611 V N 1.927 121.813 119.914 -0.047 0.000 2.673 611 V HA 0.103 4.261 4.120 0.063 0.000 0.303 611 V C 0.942 177.016 176.094 -0.034 0.000 1.046 611 V CA 0.199 62.476 62.300 -0.038 0.000 1.126 611 V CB 0.836 32.627 31.823 -0.052 0.000 0.934 611 V HN 0.402 nan 8.190 nan 0.000 0.487 612 R N 3.429 123.911 120.500 -0.031 0.000 2.345 612 R HA 0.040 4.418 4.340 0.063 0.000 0.331 612 R C 1.597 177.872 176.300 -0.041 0.000 1.067 612 R CA 0.479 56.557 56.100 -0.036 0.000 0.962 612 R CB 0.394 30.668 30.300 -0.042 0.000 0.987 612 R HN 1.009 nan 8.270 nan 0.000 0.451 613 S N 3.105 118.783 115.700 -0.036 0.000 2.419 613 S HA -0.198 4.310 4.470 0.063 0.000 0.233 613 S C 1.914 176.492 174.600 -0.036 0.000 1.016 613 S CA 0.910 59.089 58.200 -0.034 0.000 0.974 613 S CB -0.010 63.172 63.200 -0.030 0.000 0.786 613 S HN 0.676 nan 8.310 nan 0.000 0.492 614 A N 2.374 125.170 122.820 -0.040 0.000 1.877 614 A HA -0.100 4.258 4.320 0.063 0.000 0.216 614 A C 2.003 179.551 177.584 -0.059 0.000 1.186 614 A CA 1.656 53.667 52.037 -0.044 0.000 0.620 614 A CB -0.947 18.026 19.000 -0.045 0.000 0.822 614 A HN 0.471 nan 8.150 nan 0.000 0.443 615 D N -0.421 119.931 120.400 -0.079 0.000 2.104 615 D HA -0.138 4.540 4.640 0.063 0.000 0.194 615 D C 1.830 178.085 176.300 -0.075 0.000 0.994 615 D CA 1.210 55.141 54.000 -0.114 0.000 0.830 615 D CB -0.441 40.275 40.800 -0.140 0.000 0.959 615 D HN 0.293 nan 8.370 nan 0.000 0.452 616 L N 0.414 121.607 121.223 -0.050 0.000 2.079 616 L HA -0.134 4.244 4.340 0.063 0.000 0.210 616 L C 2.189 179.049 176.870 -0.017 0.000 1.081 616 L CA 1.058 55.881 54.840 -0.027 0.000 0.752 616 L CB -0.447 41.597 42.059 -0.026 0.000 0.896 616 L HN 0.048 nan 8.230 nan 0.000 0.433 617 L N -0.664 120.545 121.223 -0.022 0.000 2.046 617 L HA -0.105 4.273 4.340 0.063 0.000 0.208 617 L C 2.434 179.299 176.870 -0.008 0.000 1.077 617 L CA 2.084 56.916 54.840 -0.014 0.000 0.747 617 L CB -0.879 41.170 42.059 -0.017 0.000 0.896 617 L HN 0.209 nan 8.230 nan 0.000 0.432 618 A N -0.399 122.411 122.820 -0.016 0.000 1.930 618 A HA -0.106 4.252 4.320 0.063 0.000 0.217 618 A C 2.258 179.854 177.584 0.020 0.000 1.175 618 A CA 1.771 53.805 52.037 -0.005 0.000 0.627 618 A CB -0.798 18.188 19.000 -0.023 0.000 0.815 618 A HN 0.514 nan 8.150 nan 0.000 0.443 619 I N -0.166 120.416 120.570 0.019 0.000 2.099 619 I HA -0.284 3.924 4.170 0.063 0.000 0.239 619 I C 2.368 178.509 176.117 0.040 0.000 1.066 619 I CA 1.418 62.751 61.300 0.054 0.000 1.324 619 I CB -0.353 37.678 38.000 0.051 0.000 1.037 619 I HN 0.296 nan 8.210 nan 0.000 0.401 620 L N 0.398 121.635 121.223 0.024 0.000 2.093 620 L HA -0.198 4.181 4.340 0.063 0.000 0.208 620 L C 2.654 179.533 176.870 0.015 0.000 1.085 620 L CA 1.046 55.898 54.840 0.021 0.000 0.755 620 L CB -0.779 41.290 42.059 0.016 0.000 0.904 620 L HN 0.277 nan 8.230 nan 0.000 0.435 621 K N 1.285 121.693 120.400 0.013 0.000 2.026 621 K HA -0.195 4.163 4.320 0.063 0.000 0.208 621 K C 2.084 178.690 176.600 0.010 0.000 1.048 621 K CA 1.718 58.011 56.287 0.009 0.000 0.929 621 K CB -0.107 32.398 32.500 0.008 0.000 0.713 621 K HN 0.241 nan 8.250 nan 0.000 0.439 622 A N 1.822 124.654 122.820 0.019 0.000 1.902 622 A HA -0.107 4.251 4.320 0.063 0.000 0.217 622 A C 2.397 179.986 177.584 0.009 0.000 1.181 622 A CA 1.363 53.413 52.037 0.021 0.000 0.623 622 A CB -0.578 18.448 19.000 0.043 0.000 0.818 622 A HN 0.341 nan 8.150 nan 0.000 0.443 623 L N -0.695 120.534 121.223 0.010 0.000 2.056 623 L HA -0.185 4.193 4.340 0.063 0.000 0.207 623 L C 2.667 179.517 176.870 -0.032 0.000 1.078 623 L CA 1.904 56.739 54.840 -0.008 0.000 0.749 623 L CB -0.481 41.582 42.059 0.005 0.000 0.901 623 L HN 0.485 nan 8.230 nan 0.000 0.433 624 K N 0.620 121.009 120.400 -0.018 0.000 2.097 624 K HA -0.183 4.176 4.320 0.063 0.000 0.206 624 K C 2.122 178.703 176.600 -0.031 0.000 1.049 624 K CA 1.315 57.587 56.287 -0.025 0.000 0.933 624 K CB -0.047 32.450 32.500 -0.005 0.000 0.717 624 K HN 0.256 nan 8.250 nan 0.000 0.442 625 A N 1.353 124.162 122.820 -0.019 0.000 1.933 625 A HA -0.116 4.242 4.320 0.063 0.000 0.218 625 A C 1.665 179.233 177.584 -0.027 0.000 1.175 625 A CA 1.378 53.405 52.037 -0.017 0.000 0.628 625 A CB -0.154 18.842 19.000 -0.007 0.000 0.814 625 A HN 0.173 nan 8.150 nan 0.000 0.444 626 K N -1.268 119.110 120.400 -0.036 0.000 2.404 626 K HA 0.183 4.541 4.320 0.063 0.000 0.194 626 K C 0.985 177.539 176.600 -0.078 0.000 1.023 626 K CA 0.657 56.917 56.287 -0.044 0.000 1.094 626 K CB -0.089 32.390 32.500 -0.035 0.000 0.841 626 K HN 0.747 nan 8.250 nan 0.000 0.523 627 G N 1.532 110.267 108.800 -0.108 0.000 2.176 627 G HA2 -0.232 3.766 3.960 0.063 0.000 0.252 627 G HA3 -0.232 3.766 3.960 0.063 0.000 0.252 627 G C 0.059 174.762 174.900 -0.328 0.000 1.024 627 G CA 0.222 45.209 45.100 -0.187 0.000 0.755 627 G HN 0.120 nan 8.290 nan 0.000 0.507 628 V N 2.345 122.109 119.914 -0.249 0.000 2.465 628 V HA 0.460 4.618 4.120 0.063 0.000 0.279 628 V C 0.791 176.731 176.094 -0.256 0.000 1.045 628 V CA -1.056 61.104 62.300 -0.233 0.000 0.938 628 V CB 1.236 33.006 31.823 -0.087 0.000 0.986 628 V HN 0.367 nan 8.190 nan 0.000 0.467 629 H N 2.390 121.470 119.070 0.017 0.000 2.509 629 H HA 0.783 5.377 4.556 0.063 0.000 0.359 629 H C 0.089 175.434 175.328 0.028 0.000 1.253 629 H CA -0.199 55.860 56.048 0.019 0.000 1.373 629 H CB 1.823 31.597 29.762 0.020 0.000 1.555 629 H HN 0.756 nan 8.280 nan 0.000 0.586 630 A N 1.092 124.016 122.820 0.173 0.000 2.435 630 A HA 0.524 4.882 4.320 0.063 0.000 0.304 630 A C -0.827 176.808 177.584 0.085 0.000 1.064 630 A CA -0.940 51.159 52.037 0.103 0.000 0.727 630 A CB 1.385 20.428 19.000 0.071 0.000 1.284 630 A HN 0.731 nan 8.150 nan 0.000 0.415 631 K N 2.460 122.903 120.400 0.072 0.000 2.450 631 K HA 0.658 5.016 4.320 0.063 0.000 0.257 631 K C -1.454 175.166 176.600 0.034 0.000 0.953 631 K CA -0.477 55.844 56.287 0.056 0.000 0.844 631 K CB 1.351 33.894 32.500 0.072 0.000 1.103 631 K HN 0.507 nan 8.250 nan 0.000 0.429 632 L N 5.230 126.462 121.223 0.016 0.000 2.315 632 L HA 0.326 4.704 4.340 0.063 0.000 0.283 632 L C -0.385 176.476 176.870 -0.016 0.000 1.089 632 L CA -0.626 54.212 54.840 -0.002 0.000 0.833 632 L CB -0.014 42.036 42.059 -0.015 0.000 1.170 632 L HN 0.526 nan 8.230 nan 0.000 0.442 633 L N 3.738 124.947 121.223 -0.022 0.000 2.330 633 L HA 0.612 4.990 4.340 0.063 0.000 0.271 633 L C -0.747 176.018 176.870 -0.174 0.000 1.013 633 L CA -0.759 54.024 54.840 -0.096 0.000 0.816 633 L CB 1.872 43.890 42.059 -0.068 0.000 1.287 633 L HN 0.388 nan 8.230 nan 0.000 0.435 634 Y N -0.706 119.168 120.300 -0.710 0.000 2.840 634 Y HA 0.189 4.777 4.550 0.063 0.000 0.324 634 Y C 0.715 175.893 175.900 -1.203 0.000 1.378 634 Y CA -0.981 56.612 58.100 -0.846 0.000 1.077 634 Y CB 1.581 39.843 38.460 -0.329 0.000 1.361 634 Y HN 0.550 nan 8.280 nan 0.000 0.459 635 S N 0.737 115.605 115.700 -1.387 0.000 2.593 635 S HA 0.247 4.755 4.470 0.063 0.000 0.217 635 S C 0.088 174.403 174.600 -0.475 0.000 0.966 635 S CA 0.338 58.061 58.200 -0.795 0.000 0.914 635 S CB -0.185 62.683 63.200 -0.552 0.000 0.776 635 S HN 0.614 nan 8.310 nan 0.000 0.523 636 R N -1.370 118.900 120.500 -0.382 0.000 2.766 636 R HA 0.633 5.011 4.340 0.063 0.000 0.270 636 R C -0.977 175.307 176.300 -0.028 0.000 1.035 636 R CA -1.090 54.929 56.100 -0.135 0.000 0.911 636 R CB 0.490 30.750 30.300 -0.067 0.000 1.243 636 R HN -0.075 nan 8.270 nan 0.000 0.460 637 M N -0.072 119.523 119.600 -0.008 0.000 2.310 637 M HA 0.555 5.073 4.480 0.063 0.000 0.241 637 M C 1.011 177.328 176.300 0.028 0.000 1.162 637 M CA 0.707 56.010 55.300 0.005 0.000 0.958 637 M CB 0.555 33.150 32.600 -0.008 0.000 1.348 637 M HN 1.044 nan 8.290 nan 0.000 0.541 638 G N 0.787 109.595 108.800 0.013 0.000 2.662 638 G HA2 -0.150 3.848 3.960 0.063 0.000 0.236 638 G HA3 -0.150 3.848 3.960 0.063 0.000 0.236 638 G C -0.728 174.171 174.900 -0.001 0.000 1.212 638 G CA -0.320 44.785 45.100 0.010 0.000 0.968 638 G HN 0.619 nan 8.290 nan 0.000 0.576 639 E N -1.068 119.128 120.200 -0.007 0.000 2.393 639 E HA 0.599 4.987 4.350 0.063 0.000 0.273 639 E C -0.603 175.950 176.600 -0.078 0.000 0.918 639 E CA -0.461 55.915 56.400 -0.041 0.000 0.773 639 E CB 2.996 32.676 29.700 -0.033 0.000 1.275 639 E HN 1.242 nan 8.360 nan 0.000 0.451 640 V N -1.516 118.313 119.914 -0.141 0.000 2.823 640 V HA 0.698 4.856 4.120 0.063 0.000 0.312 640 V C -0.517 175.496 176.094 -0.135 0.000 1.072 640 V CA -0.698 61.477 62.300 -0.208 0.000 0.937 640 V CB 1.861 33.427 31.823 -0.427 0.000 1.013 640 V HN 0.616 nan 8.190 nan 0.000 0.430 641 T N 3.426 117.916 114.554 -0.108 0.000 2.771 641 T HA 0.765 5.153 4.350 0.063 0.000 0.281 641 T C 0.465 175.121 174.700 -0.073 0.000 0.982 641 T CA 0.292 62.348 62.100 -0.073 0.000 0.978 641 T CB 1.384 70.223 68.868 -0.048 0.000 0.930 641 T HN 1.343 nan 8.240 nan 0.000 0.447 642 A N 2.428 125.210 122.820 -0.063 0.000 2.292 642 A HA 0.328 4.686 4.320 0.063 0.000 0.265 642 A C 1.539 179.099 177.584 -0.040 0.000 1.133 642 A CA -0.277 51.727 52.037 -0.054 0.000 0.807 642 A CB -0.002 18.970 19.000 -0.047 0.000 1.102 642 A HN 0.892 nan 8.150 nan 0.000 0.502 643 D N -0.542 119.838 120.400 -0.034 0.000 2.263 643 D HA -0.163 4.515 4.640 0.063 0.000 0.208 643 D C 0.548 176.834 176.300 -0.023 0.000 0.971 643 D CA 1.450 55.435 54.000 -0.026 0.000 0.867 643 D CB -0.226 40.560 40.800 -0.023 0.000 0.929 643 D HN 0.579 nan 8.370 nan 0.000 0.492 644 D N -1.519 118.867 120.400 -0.024 0.000 2.368 644 D HA 0.206 4.884 4.640 0.063 0.000 0.218 644 D C 1.612 177.900 176.300 -0.020 0.000 1.112 644 D CA 0.276 54.263 54.000 -0.021 0.000 0.834 644 D CB -0.054 40.734 40.800 -0.020 0.000 0.953 644 D HN 0.315 nan 8.370 nan 0.000 0.505 645 G N -0.023 108.763 108.800 -0.023 0.000 2.176 645 G HA2 -0.267 3.731 3.960 0.063 0.000 0.253 645 G HA3 -0.267 3.731 3.960 0.063 0.000 0.253 645 G C 0.393 175.279 174.900 -0.024 0.000 0.979 645 G CA 0.245 45.332 45.100 -0.022 0.000 0.641 645 G HN 0.417 nan 8.290 nan 0.000 0.530 646 T N 1.583 116.121 114.554 -0.027 0.000 2.817 646 T HA 0.394 4.782 4.350 0.063 0.000 0.295 646 T C 0.723 175.401 174.700 -0.035 0.000 0.958 646 T CA 0.105 62.188 62.100 -0.027 0.000 1.157 646 T CB 1.819 70.671 68.868 -0.027 0.000 0.898 646 T HN 0.427 nan 8.240 nan 0.000 0.536 647 V N 6.466 126.361 119.914 -0.031 0.000 2.427 647 V HA 0.222 4.381 4.120 0.063 0.000 0.268 647 V C 0.316 176.386 176.094 -0.040 0.000 1.046 647 V CA -0.326 61.952 62.300 -0.037 0.000 0.970 647 V CB 0.216 32.022 31.823 -0.027 0.000 1.001 647 V HN 0.688 nan 8.190 nan 0.000 0.476 648 L N 8.691 129.880 121.223 -0.057 0.000 2.276 648 L HA 0.448 4.826 4.340 0.063 0.000 0.286 648 L C -2.224 174.611 176.870 -0.058 0.000 1.024 648 L CA -1.843 52.962 54.840 -0.057 0.000 0.826 648 L CB 1.931 43.944 42.059 -0.075 0.000 1.211 648 L HN 0.415 nan 8.230 nan 0.000 0.422 649 P HA 0.159 nan 4.420 nan 0.000 0.271 649 P C -0.481 176.801 177.300 -0.030 0.000 1.216 649 P CA 0.041 63.124 63.100 -0.028 0.000 0.771 649 P CB 0.956 32.647 31.700 -0.016 0.000 0.864 650 I N 2.488 123.042 120.570 -0.026 0.000 2.325 650 I HA 0.175 4.383 4.170 0.063 0.000 0.291 650 I C 1.652 177.760 176.117 -0.015 0.000 1.019 650 I CA -0.423 60.863 61.300 -0.023 0.000 1.302 650 I CB 1.362 39.358 38.000 -0.007 0.000 1.401 650 I HN 0.363 nan 8.210 nan 0.000 0.485 651 A N 5.478 128.290 122.820 -0.013 0.000 1.898 651 A HA 0.385 4.743 4.320 0.063 0.000 0.216 651 A C 1.040 178.623 177.584 -0.002 0.000 1.181 651 A CA 1.553 53.589 52.037 -0.002 0.000 0.620 651 A CB -0.052 18.953 19.000 0.010 0.000 0.819 651 A HN 0.840 nan 8.150 nan 0.000 0.442 652 A N -2.606 120.206 122.820 -0.013 0.000 2.566 652 A HA 0.561 4.919 4.320 0.063 0.000 0.290 652 A C -0.044 177.500 177.584 -0.067 0.000 1.071 652 A CA 0.073 52.101 52.037 -0.015 0.000 0.658 652 A CB -0.305 18.710 19.000 0.024 0.000 1.285 652 A HN 0.853 nan 8.150 nan 0.000 0.427 653 T N -1.593 112.917 114.554 -0.074 0.000 2.847 653 T HA 0.571 4.959 4.350 0.063 0.000 0.279 653 T C 0.990 175.652 174.700 -0.065 0.000 0.984 653 T CA 0.088 62.080 62.100 -0.180 0.000 0.988 653 T CB 0.103 68.900 68.868 -0.118 0.000 1.040 653 T HN 0.482 nan 8.240 nan 0.000 0.528 654 F N 0.556 120.535 119.950 0.047 0.000 2.091 654 F HA -0.050 4.515 4.527 0.063 0.000 0.299 654 F C 2.994 178.927 175.800 0.222 0.000 1.103 654 F CA 1.144 59.225 58.000 0.135 0.000 1.228 654 F CB -0.683 38.371 39.000 0.091 0.000 0.984 654 F HN 0.706 nan 8.300 nan 0.000 0.477 655 A N 0.292 123.288 122.820 0.293 0.000 1.968 655 A HA 0.025 4.383 4.320 0.063 0.000 0.217 655 A C 2.435 180.095 177.584 0.127 0.000 1.169 655 A CA 1.425 53.573 52.037 0.185 0.000 0.638 655 A CB -1.459 17.610 19.000 0.115 0.000 0.812 655 A HN 0.399 nan 8.150 nan 0.000 0.446 656 G N -0.610 108.251 108.800 0.101 0.000 2.408 656 G HA2 0.223 4.221 3.960 0.063 0.000 0.217 656 G HA3 0.223 4.221 3.960 0.063 0.000 0.217 656 G C 0.710 175.661 174.900 0.085 0.000 1.150 656 G CA 1.034 46.173 45.100 0.066 0.000 0.776 656 G HN 1.112 nan 8.290 nan 0.000 0.542 657 A N 0.966 123.870 122.820 0.140 0.000 2.842 657 A HA 0.692 5.050 4.320 0.063 0.000 0.339 657 A C -2.561 175.168 177.584 0.241 0.000 1.177 657 A CA -1.246 50.886 52.037 0.157 0.000 0.797 657 A CB 1.211 20.301 19.000 0.151 0.000 1.094 657 A HN 0.117 nan 8.150 nan 0.000 0.474 658 P HA -0.022 nan 4.420 nan 0.000 0.270 658 P C 1.352 178.491 177.300 -0.268 0.000 1.221 658 P CA 0.514 63.559 63.100 -0.092 0.000 0.788 658 P CB 0.657 32.289 31.700 -0.114 0.000 0.904 659 S N 0.742 115.934 115.700 -0.847 0.000 2.442 659 S HA -0.147 4.361 4.470 0.063 0.000 0.236 659 S C 1.810 176.266 174.600 -0.240 0.000 1.007 659 S CA 0.974 58.796 58.200 -0.630 0.000 0.965 659 S CB -1.308 61.410 63.200 -0.803 0.000 0.773 659 S HN 0.347 nan 8.310 nan 0.000 0.504 660 L N 1.831 122.917 121.223 -0.227 0.000 2.081 660 L HA -0.119 4.259 4.340 0.063 0.000 0.212 660 L C 3.099 179.798 176.870 -0.285 0.000 1.080 660 L CA 1.766 56.467 54.840 -0.232 0.000 0.754 660 L CB -1.597 40.300 42.059 -0.268 0.000 0.893 660 L HN 0.634 nan 8.230 nan 0.000 0.433 661 T N -2.994 111.461 114.554 -0.166 0.000 3.088 661 T HA 0.127 4.515 4.350 0.063 0.000 0.259 661 T C 0.542 175.333 174.700 0.152 0.000 1.122 661 T CA 0.336 62.432 62.100 -0.006 0.000 1.095 661 T CB -0.462 68.479 68.868 0.123 0.000 0.930 661 T HN 0.190 nan 8.240 nan 0.000 0.508 662 V N -2.251 117.716 119.914 0.088 0.000 3.166 662 V HA 0.572 4.730 4.120 0.063 0.000 0.317 662 V C 0.040 176.181 176.094 0.077 0.000 1.136 662 V CA -0.911 61.464 62.300 0.125 0.000 1.035 662 V CB 2.019 33.931 31.823 0.150 0.000 1.110 662 V HN -0.001 nan 8.190 nan 0.000 0.450 663 D N 0.688 121.136 120.400 0.080 0.000 2.388 663 D HA 0.494 5.172 4.640 0.063 0.000 0.208 663 D C 0.549 176.839 176.300 -0.017 0.000 1.035 663 D CA 1.444 55.469 54.000 0.042 0.000 0.875 663 D CB 1.528 42.375 40.800 0.079 0.000 0.984 663 D HN 0.958 nan 8.370 nan 0.000 0.508 664 A N 0.110 122.935 122.820 0.008 0.000 2.586 664 A HA 0.564 4.922 4.320 0.063 0.000 0.290 664 A C -1.576 176.026 177.584 0.030 0.000 1.086 664 A CA -0.527 51.500 52.037 -0.017 0.000 0.665 664 A CB 1.538 20.515 19.000 -0.039 0.000 1.279 664 A HN -0.110 nan 8.150 nan 0.000 0.423 665 V N 0.819 120.744 119.914 0.017 0.000 2.709 665 V HA 0.589 4.747 4.120 0.063 0.000 0.308 665 V C -0.769 175.327 176.094 0.003 0.000 1.062 665 V CA -0.237 62.084 62.300 0.034 0.000 0.901 665 V CB 1.658 33.520 31.823 0.064 0.000 1.003 665 V HN 0.703 nan 8.190 nan 0.000 0.425 666 I N 3.893 124.471 120.570 0.013 0.000 2.465 666 I HA 0.554 4.762 4.170 0.063 0.000 0.291 666 I C -0.938 175.195 176.117 0.028 0.000 1.014 666 I CA -0.927 60.408 61.300 0.059 0.000 1.093 666 I CB 2.306 40.376 38.000 0.117 0.000 1.267 666 I HN 0.282 nan 8.210 nan 0.000 0.431 667 V N 7.433 127.379 119.914 0.053 0.000 2.349 667 V HA 0.343 4.501 4.120 0.063 0.000 0.284 667 V C -2.211 173.924 176.094 0.068 0.000 1.014 667 V CA -1.623 60.685 62.300 0.013 0.000 0.826 667 V CB 1.190 32.971 31.823 -0.069 0.000 1.009 667 V HN 0.544 nan 8.190 nan 0.000 0.431 668 P HA 0.237 nan 4.420 nan 0.000 0.276 668 P C 0.176 177.483 177.300 0.012 0.000 1.244 668 P CA -0.288 62.811 63.100 -0.001 0.000 0.801 668 P CB 1.138 32.829 31.700 -0.014 0.000 1.006 669 C N 0.813 120.100 119.300 -0.022 0.000 2.640 669 C HA 0.732 5.230 4.460 0.063 0.000 0.330 669 C C 1.271 176.264 174.990 0.006 0.000 1.416 669 C CA 1.564 60.582 59.018 -0.001 0.000 2.396 669 C CB -0.715 27.009 27.740 -0.027 0.000 2.330 669 C HN 0.913 nan 8.230 nan 0.000 0.704 670 G N 1.555 110.362 108.800 0.012 0.000 2.366 670 G HA2 0.041 4.039 3.960 0.063 0.000 0.190 670 G HA3 0.041 4.039 3.960 0.063 0.000 0.190 670 G C -1.073 173.840 174.900 0.022 0.000 1.299 670 G CA -0.016 45.090 45.100 0.010 0.000 1.056 670 G HN 0.909 nan 8.290 nan 0.000 0.468 671 N N 1.749 120.467 118.700 0.031 0.000 2.807 671 N HA 0.272 5.050 4.740 0.063 0.000 0.259 671 N C 1.584 177.133 175.510 0.066 0.000 1.149 671 N CA -0.457 52.616 53.050 0.039 0.000 1.042 671 N CB -0.082 38.428 38.487 0.039 0.000 1.367 671 N HN 0.372 nan 8.380 nan 0.000 0.516 672 I N 1.431 122.035 120.570 0.056 0.000 2.493 672 I HA -0.160 4.048 4.170 0.063 0.000 0.254 672 I C 2.012 178.152 176.117 0.038 0.000 1.160 672 I CA 0.624 61.968 61.300 0.074 0.000 1.445 672 I CB -1.485 36.539 38.000 0.041 0.000 1.086 672 I HN 0.526 nan 8.210 nan 0.000 0.433 673 A N 0.695 123.523 122.820 0.013 0.000 2.024 673 A HA -0.281 4.077 4.320 0.063 0.000 0.220 673 A C 2.070 179.677 177.584 0.039 0.000 1.164 673 A CA 2.086 54.124 52.037 0.001 0.000 0.643 673 A CB -0.692 18.307 19.000 -0.002 0.000 0.806 673 A HN 0.433 nan 8.150 nan 0.000 0.451 674 D N 0.419 120.869 120.400 0.084 0.000 2.097 674 D HA -0.142 4.536 4.640 0.063 0.000 0.195 674 D C 1.596 177.985 176.300 0.149 0.000 0.989 674 D CA 1.782 55.859 54.000 0.127 0.000 0.827 674 D CB -0.208 40.704 40.800 0.187 0.000 0.966 674 D HN 0.631 nan 8.370 nan 0.000 0.456 675 I N -3.500 117.184 120.570 0.190 0.000 4.018 675 I HA 0.476 4.684 4.170 0.063 0.000 0.337 675 I C 1.851 178.090 176.117 0.203 0.000 1.327 675 I CA -0.041 61.394 61.300 0.225 0.000 1.100 675 I CB 0.192 38.384 38.000 0.319 0.000 1.025 675 I HN -0.082 nan 8.210 nan 0.000 0.396 676 A N 1.617 124.465 122.820 0.048 0.000 1.978 676 A HA -0.161 4.197 4.320 0.063 0.000 0.220 676 A C 1.618 179.136 177.584 -0.110 0.000 1.170 676 A CA 1.940 53.859 52.037 -0.197 0.000 0.636 676 A CB -0.448 18.397 19.000 -0.258 0.000 0.810 676 A HN 0.525 nan 8.150 nan 0.000 0.448 677 D N -0.588 119.799 120.400 -0.022 0.000 2.402 677 D HA 0.021 4.699 4.640 0.063 0.000 0.216 677 D C -0.028 176.289 176.300 0.029 0.000 1.128 677 D CA -0.175 53.820 54.000 -0.008 0.000 0.833 677 D CB -0.196 40.597 40.800 -0.013 0.000 0.971 677 D HN 0.338 nan 8.370 nan 0.000 0.503 678 N N 1.241 119.978 118.700 0.061 0.000 2.420 678 N HA 0.018 4.796 4.740 0.063 0.000 0.262 678 N C 1.370 176.913 175.510 0.055 0.000 1.144 678 N CA 0.023 53.111 53.050 0.064 0.000 0.952 678 N CB 1.454 39.994 38.487 0.087 0.000 1.081 678 N HN -0.003 nan 8.380 nan 0.000 0.480 679 G N 3.571 112.402 108.800 0.052 0.000 2.476 679 G HA2 -0.285 3.713 3.960 0.063 0.000 0.218 679 G HA3 -0.285 3.713 3.960 0.063 0.000 0.218 679 G C 0.969 175.917 174.900 0.079 0.000 1.164 679 G CA 0.680 45.813 45.100 0.056 0.000 0.768 679 G HN 0.598 nan 8.290 nan 0.000 0.560 680 D N 0.851 121.303 120.400 0.087 0.000 2.144 680 D HA -0.004 4.674 4.640 0.063 0.000 0.199 680 D C 2.794 179.074 176.300 -0.034 0.000 0.984 680 D CA 1.203 55.281 54.000 0.131 0.000 0.834 680 D CB -0.470 40.475 40.800 0.242 0.000 0.955 680 D HN 0.319 nan 8.370 nan 0.000 0.465 681 A N 0.918 123.539 122.820 -0.332 0.000 1.898 681 A HA -0.179 4.179 4.320 0.063 0.000 0.216 681 A C 2.020 179.426 177.584 -0.297 0.000 1.181 681 A CA 1.217 52.815 52.037 -0.731 0.000 0.620 681 A CB -0.460 18.048 19.000 -0.820 0.000 0.819 681 A HN 0.170 nan 8.150 nan 0.000 0.442 682 N N -1.578 117.112 118.700 -0.017 0.000 2.106 682 N HA -0.177 4.601 4.740 0.063 0.000 0.188 682 N C 1.726 177.260 175.510 0.040 0.000 1.029 682 N CA 1.760 54.865 53.050 0.092 0.000 0.848 682 N CB -0.394 38.188 38.487 0.159 0.000 1.007 682 N HN 0.676 nan 8.380 nan 0.000 0.423 683 Y N 0.589 120.872 120.300 -0.030 0.000 2.333 683 Y HA -0.246 4.342 4.550 0.063 0.000 0.290 683 Y C 2.322 178.187 175.900 -0.058 0.000 1.144 683 Y CA 1.032 59.107 58.100 -0.043 0.000 1.228 683 Y CB -0.248 38.190 38.460 -0.037 0.000 0.985 683 Y HN 0.053 nan 8.280 nan 0.000 0.542 684 Y N 0.316 120.484 120.300 -0.219 0.000 2.114 684 Y HA -0.329 4.259 4.550 0.063 0.000 0.282 684 Y C 2.049 177.759 175.900 -0.317 0.000 1.165 684 Y CA 2.145 60.088 58.100 -0.261 0.000 1.148 684 Y CB -0.423 37.888 38.460 -0.249 0.000 0.972 684 Y HN 0.112 nan 8.280 nan 0.000 0.504 685 L N -1.117 120.049 121.223 -0.095 0.000 2.109 685 L HA -0.243 4.135 4.340 0.063 0.000 0.207 685 L C 2.407 179.172 176.870 -0.175 0.000 1.086 685 L CA 1.297 56.065 54.840 -0.121 0.000 0.760 685 L CB -0.521 41.446 42.059 -0.153 0.000 0.910 685 L HN 0.292 nan 8.230 nan 0.000 0.437 686 M N -0.572 118.869 119.600 -0.265 0.000 2.159 686 M HA -0.229 4.289 4.480 0.063 0.000 0.263 686 M C 2.217 178.267 176.300 -0.417 0.000 1.063 686 M CA 1.701 56.832 55.300 -0.283 0.000 1.110 686 M CB -0.402 32.048 32.600 -0.251 0.000 1.374 686 M HN 0.242 nan 8.290 nan 0.000 0.411 687 E N 0.655 120.413 120.200 -0.735 0.000 2.028 687 E HA -0.172 4.216 4.350 0.063 0.000 0.191 687 E C 2.055 178.294 176.600 -0.601 0.000 0.988 687 E CA 1.259 57.187 56.400 -0.786 0.000 0.799 687 E CB 0.004 29.191 29.700 -0.855 0.000 0.755 687 E HN 0.449 nan 8.360 nan 0.000 0.447 688 A N 0.422 123.005 122.820 -0.395 0.000 1.908 688 A HA -0.235 4.123 4.320 0.063 0.000 0.218 688 A C 2.075 179.551 177.584 -0.181 0.000 1.181 688 A CA 1.683 53.583 52.037 -0.228 0.000 0.627 688 A CB -1.039 17.887 19.000 -0.124 0.000 0.818 688 A HN 0.579 nan 8.150 nan 0.000 0.445 689 Y N 0.382 120.526 120.300 -0.261 0.000 2.145 689 Y HA -0.222 4.367 4.550 0.064 0.000 0.286 689 Y C 2.440 178.216 175.900 -0.207 0.000 1.145 689 Y CA 2.400 60.377 58.100 -0.205 0.000 1.148 689 Y CB -0.240 38.117 38.460 -0.172 0.000 0.981 689 Y HN 0.299 nan 8.280 nan 0.000 0.507 690 K N -0.503 119.811 120.400 -0.145 0.000 2.074 690 K HA -0.249 4.110 4.320 0.063 0.000 0.209 690 K C 1.162 177.652 176.600 -0.182 0.000 1.048 690 K CA 2.136 58.303 56.287 -0.200 0.000 0.926 690 K CB -0.467 31.838 32.500 -0.324 0.000 0.713 690 K HN 0.589 nan 8.250 nan 0.000 0.444 691 H N 0.292 119.248 119.070 -0.190 0.000 2.566 691 H HA 0.146 4.740 4.556 0.064 0.000 0.280 691 H C -0.044 175.117 175.328 -0.279 0.000 1.042 691 H CA 0.062 55.986 56.048 -0.206 0.000 1.168 691 H CB -0.044 29.593 29.762 -0.207 0.000 1.340 691 H HN 0.143 nan 8.280 nan 0.000 0.597 692 L N -0.026 121.044 121.223 -0.255 0.000 3.865 692 L HA -0.287 4.091 4.340 0.063 0.000 0.408 692 L C -0.320 176.276 176.870 -0.456 0.000 1.209 692 L CA 0.643 55.234 54.840 -0.416 0.000 0.940 692 L CB -1.661 40.131 42.059 -0.445 0.000 1.971 692 L HN 0.313 nan 8.230 nan 0.000 0.899 693 K N 0.683 120.884 120.400 -0.333 0.000 2.118 693 K HA 0.510 4.869 4.320 0.063 0.000 0.267 693 K C -2.177 174.283 176.600 -0.234 0.000 0.991 693 K CA -1.802 54.315 56.287 -0.283 0.000 0.916 693 K CB 0.819 33.208 32.500 -0.184 0.000 1.041 693 K HN -0.208 nan 8.250 nan 0.000 0.455 694 P HA 0.100 nan 4.420 nan 0.000 0.271 694 P C -0.789 176.443 177.300 -0.113 0.000 1.216 694 P CA 0.256 63.254 63.100 -0.171 0.000 0.771 694 P CB 0.432 32.030 31.700 -0.170 0.000 0.864 695 I N 1.826 122.342 120.570 -0.090 0.000 2.545 695 I HA 0.629 4.837 4.170 0.063 0.000 0.292 695 I C -0.272 175.794 176.117 -0.084 0.000 1.040 695 I CA -0.910 60.358 61.300 -0.054 0.000 1.068 695 I CB 2.236 40.234 38.000 -0.004 0.000 1.251 695 I HN 0.256 nan 8.210 nan 0.000 0.424 696 A N 7.584 130.360 122.820 -0.074 0.000 2.343 696 A HA 0.858 5.216 4.320 0.063 0.000 0.308 696 A C -1.083 176.586 177.584 0.142 0.000 1.092 696 A CA -0.427 51.538 52.037 -0.119 0.000 0.751 696 A CB 0.935 19.710 19.000 -0.376 0.000 1.203 696 A HN 0.670 nan 8.150 nan 0.000 0.452 697 L N 2.373 123.729 121.223 0.223 0.000 2.349 697 L HA 0.712 5.090 4.340 0.063 0.000 0.278 697 L C 0.304 177.379 176.870 0.343 0.000 0.996 697 L CA -0.528 54.465 54.840 0.254 0.000 0.825 697 L CB 1.918 44.074 42.059 0.163 0.000 1.243 697 L HN 0.777 nan 8.230 nan 0.000 0.412 698 A N 2.409 125.347 122.820 0.196 0.000 2.317 698 A HA 0.841 5.199 4.320 0.063 0.000 0.327 698 A C 0.670 178.258 177.584 0.006 0.000 1.178 698 A CA 0.307 52.341 52.037 -0.004 0.000 0.817 698 A CB 1.156 19.981 19.000 -0.292 0.000 1.189 698 A HN 0.973 nan 8.150 nan 0.000 0.489 699 G N 2.039 110.834 108.800 -0.007 0.000 2.622 699 G HA2 -0.341 3.657 3.960 0.063 0.000 0.307 699 G HA3 -0.341 3.657 3.960 0.063 0.000 0.307 699 G C 0.481 175.395 174.900 0.023 0.000 1.226 699 G CA 0.867 45.966 45.100 -0.002 0.000 0.997 699 G HN 0.703 nan 8.290 nan 0.000 0.551 700 D N 1.425 121.836 120.400 0.019 0.000 2.350 700 D HA 0.251 4.929 4.640 0.063 0.000 0.216 700 D C 2.541 178.869 176.300 0.047 0.000 0.968 700 D CA 1.501 55.511 54.000 0.016 0.000 0.894 700 D CB -0.611 40.190 40.800 0.001 0.000 0.909 700 D HN 0.785 nan 8.370 nan 0.000 0.520 701 A N 0.580 123.465 122.820 0.109 0.000 2.070 701 A HA -0.164 4.194 4.320 0.063 0.000 0.220 701 A C 2.055 179.782 177.584 0.239 0.000 1.159 701 A CA 0.785 52.965 52.037 0.237 0.000 0.656 701 A CB -0.353 18.767 19.000 0.200 0.000 0.800 701 A HN 0.129 nan 8.150 nan 0.000 0.453 702 R N -0.387 120.190 120.500 0.129 0.000 2.241 702 R HA -0.047 4.332 4.340 0.063 0.000 0.224 702 R C 1.376 177.712 176.300 0.061 0.000 1.101 702 R CA 0.837 56.998 56.100 0.101 0.000 0.995 702 R CB -0.060 30.281 30.300 0.069 0.000 0.870 702 R HN 0.253 nan 8.270 nan 0.000 0.463 703 K N -0.025 120.378 120.400 0.005 0.000 2.362 703 K HA -0.093 4.265 4.320 0.063 0.000 0.200 703 K C 1.374 177.887 176.600 -0.144 0.000 1.046 703 K CA 1.044 57.276 56.287 -0.093 0.000 0.952 703 K CB -0.105 32.291 32.500 -0.174 0.000 0.753 703 K HN 0.228 nan 8.250 nan 0.000 0.466 704 F N 1.364 121.294 119.950 -0.034 0.000 2.604 704 F HA -0.058 4.507 4.527 0.064 0.000 0.298 704 F C 1.995 177.752 175.800 -0.071 0.000 1.131 704 F CA 0.751 58.720 58.000 -0.052 0.000 1.457 704 F CB 0.043 39.012 39.000 -0.052 0.000 1.095 704 F HN -0.033 nan 8.300 nan 0.000 0.574 705 K N 0.239 120.691 120.400 0.088 0.000 2.160 705 K HA -0.217 4.141 4.320 0.063 0.000 0.206 705 K C 2.325 178.899 176.600 -0.043 0.000 1.047 705 K CA 1.143 57.432 56.287 0.004 0.000 0.930 705 K CB -0.378 32.122 32.500 -0.001 0.000 0.720 705 K HN 0.267 nan 8.250 nan 0.000 0.450 706 A N 0.980 123.777 122.820 -0.038 0.000 1.883 706 A HA -0.192 4.166 4.320 0.063 0.000 0.217 706 A C 2.197 179.748 177.584 -0.055 0.000 1.186 706 A CA 2.212 54.218 52.037 -0.052 0.000 0.624 706 A CB -1.114 17.851 19.000 -0.057 0.000 0.822 706 A HN 0.308 nan 8.150 nan 0.000 0.444 707 T N 1.045 115.584 114.554 -0.025 0.000 2.685 707 T HA -0.181 4.207 4.350 0.063 0.000 0.268 707 T C 1.297 175.946 174.700 -0.085 0.000 1.034 707 T CA 1.592 63.684 62.100 -0.013 0.000 1.149 707 T CB -0.750 68.163 68.868 0.076 0.000 0.860 707 T HN 0.745 nan 8.240 nan 0.000 0.449 708 I N -1.395 119.076 120.570 -0.165 0.000 3.257 708 I HA 0.423 4.631 4.170 0.063 0.000 0.325 708 I C -0.492 175.422 176.117 -0.338 0.000 1.287 708 I CA -0.931 60.148 61.300 -0.369 0.000 1.263 708 I CB -0.323 37.279 38.000 -0.663 0.000 1.550 708 I HN -0.263 nan 8.210 nan 0.000 0.505 709 K N 2.567 122.859 120.400 -0.181 0.000 4.678 709 K HA -0.039 4.319 4.320 0.063 0.000 0.256 709 K C -0.852 175.672 176.600 -0.127 0.000 0.721 709 K CA 0.894 57.110 56.287 -0.118 0.000 0.722 709 K CB -1.033 31.422 32.500 -0.075 0.000 2.169 709 K HN 0.756 nan 8.250 nan 0.000 0.381 710 I N 0.086 120.582 120.570 -0.123 0.000 2.741 710 I HA 0.364 4.572 4.170 0.063 0.000 0.288 710 I C -1.208 174.883 176.117 -0.043 0.000 1.482 710 I CA 0.189 61.441 61.300 -0.080 0.000 1.050 710 I CB 1.518 39.440 38.000 -0.130 0.000 1.388 710 I HN 0.553 nan 8.210 nan 0.000 0.428 711 A N 4.296 127.110 122.820 -0.010 0.000 2.443 711 A HA -0.169 4.189 4.320 0.063 0.000 0.685 711 A C -0.234 177.346 177.584 -0.007 0.000 0.261 711 A CA 1.353 53.390 52.037 0.000 0.000 0.268 711 A CB -0.820 18.188 19.000 0.013 0.000 3.947 711 A HN 0.911 nan 8.150 nan 0.000 0.548 712 D N 0.455 120.854 120.400 -0.002 0.000 3.105 712 D HA 0.064 4.742 4.640 0.063 0.000 0.291 712 D C 1.924 178.226 176.300 0.003 0.000 1.218 712 D CA 0.487 54.485 54.000 -0.002 0.000 1.029 712 D CB -0.296 40.503 40.800 -0.003 0.000 1.207 712 D HN 0.549 nan 8.370 nan 0.000 0.437 713 Q N 0.582 120.385 119.800 0.005 0.000 1.975 713 Q HA 0.124 4.502 4.340 0.063 0.000 0.205 713 Q C 1.064 177.070 176.000 0.010 0.000 0.990 713 Q CA 1.712 57.519 55.803 0.007 0.000 0.845 713 Q CB -0.418 28.324 28.738 0.007 0.000 0.913 713 Q HN 0.356 nan 8.270 nan 0.000 0.420 714 G N -0.648 108.158 108.800 0.010 0.000 2.349 714 G HA2 0.382 4.380 3.960 0.063 0.000 0.294 714 G HA3 0.382 4.380 3.960 0.063 0.000 0.294 714 G C -1.928 172.979 174.900 0.012 0.000 1.380 714 G CA -0.515 44.591 45.100 0.011 0.000 0.811 714 G HN 0.082 nan 8.290 nan 0.000 0.519 715 E N -0.248 119.959 120.200 0.012 0.000 2.335 715 E HA 0.348 4.736 4.350 0.063 0.000 0.280 715 E C -0.888 175.710 176.600 -0.004 0.000 0.918 715 E CA -0.548 55.861 56.400 0.015 0.000 0.765 715 E CB 1.812 31.539 29.700 0.046 0.000 1.218 715 E HN 0.478 nan 8.360 nan 0.000 0.425 716 E N 1.693 121.882 120.200 -0.018 0.000 2.493 716 E HA 0.237 4.625 4.350 0.063 0.000 0.255 716 E C 0.680 177.237 176.600 -0.072 0.000 0.999 716 E CA 1.388 57.760 56.400 -0.046 0.000 0.934 716 E CB 0.574 30.246 29.700 -0.047 0.000 0.940 716 E HN 0.831 nan 8.360 nan 0.000 0.473 717 G N 3.315 112.059 108.800 -0.095 0.000 2.316 717 G HA2 -0.186 3.813 3.960 0.063 0.000 0.203 717 G HA3 -0.186 3.813 3.960 0.063 0.000 0.203 717 G C -0.008 174.834 174.900 -0.096 0.000 0.999 717 G CA -0.612 44.409 45.100 -0.132 0.000 0.649 717 G HN 0.417 nan 8.290 nan 0.000 0.489 718 I N 2.436 122.976 120.570 -0.049 0.000 2.355 718 I HA 0.543 4.751 4.170 0.063 0.000 0.288 718 I C 0.397 176.471 176.117 -0.071 0.000 0.999 718 I CA -1.253 60.027 61.300 -0.033 0.000 1.163 718 I CB 1.185 39.201 38.000 0.027 0.000 1.316 718 I HN -0.079 nan 8.210 nan 0.000 0.454 719 V N 7.325 127.157 119.914 -0.137 0.000 2.465 719 V HA 0.432 4.590 4.120 0.063 0.000 0.279 719 V C 0.215 176.240 176.094 -0.114 0.000 1.045 719 V CA -0.458 61.711 62.300 -0.218 0.000 0.938 719 V CB 1.359 32.893 31.823 -0.482 0.000 0.986 719 V HN 0.882 nan 8.190 nan 0.000 0.467 720 E N 4.054 124.260 120.200 0.009 0.000 2.366 720 E HA 0.888 5.276 4.350 0.063 0.000 0.278 720 E C -1.025 175.712 176.600 0.228 0.000 0.923 720 E CA -1.001 55.498 56.400 0.166 0.000 0.761 720 E CB 2.622 32.380 29.700 0.097 0.000 1.231 720 E HN 0.850 nan 8.360 nan 0.000 0.443 721 A N 1.642 124.619 122.820 0.261 0.000 2.544 721 A HA 0.323 4.682 4.320 0.063 0.000 0.291 721 A C -0.653 176.971 177.584 0.068 0.000 1.055 721 A CA -0.593 51.546 52.037 0.169 0.000 0.651 721 A CB 1.058 20.203 19.000 0.242 0.000 1.296 721 A HN 0.600 nan 8.150 nan 0.000 0.431 722 D N 0.512 120.924 120.400 0.021 0.000 2.219 722 D HA 0.051 4.729 4.640 0.063 0.000 0.205 722 D C 1.080 177.340 176.300 -0.067 0.000 0.970 722 D CA 2.257 56.249 54.000 -0.013 0.000 0.851 722 D CB 0.075 40.869 40.800 -0.011 0.000 0.943 722 D HN 0.827 nan 8.370 nan 0.000 0.488 723 S N -1.532 114.095 115.700 -0.122 0.000 2.671 723 S HA 0.694 5.202 4.470 0.063 0.000 0.277 723 S C -0.975 173.340 174.600 -0.476 0.000 1.165 723 S CA -0.943 57.121 58.200 -0.227 0.000 0.822 723 S CB 2.130 65.242 63.200 -0.148 0.000 1.150 723 S HN -0.006 nan 8.310 nan 0.000 0.479 724 A N 1.822 124.274 122.820 -0.614 0.000 2.506 724 A HA 0.609 4.967 4.320 0.063 0.000 0.320 724 A C -0.160 177.221 177.584 -0.339 0.000 1.424 724 A CA -0.409 51.050 52.037 -0.963 0.000 1.044 724 A CB -1.138 17.383 19.000 -0.798 0.000 1.140 724 A HN 0.848 nan 8.150 nan 0.000 0.538 725 D N 1.279 121.593 120.400 -0.144 0.000 2.666 725 D HA 0.518 5.196 4.640 0.063 0.000 0.252 725 D C 1.309 177.662 176.300 0.089 0.000 1.143 725 D CA 0.092 54.088 54.000 -0.006 0.000 1.096 725 D CB -0.044 40.757 40.800 0.001 0.000 1.260 725 D HN 0.149 nan 8.370 nan 0.000 0.633 726 G N -0.716 108.121 108.800 0.061 0.000 2.418 726 G HA2 -0.273 3.725 3.960 0.063 0.000 0.217 726 G HA3 -0.273 3.725 3.960 0.063 0.000 0.217 726 G C 1.473 176.423 174.900 0.084 0.000 1.158 726 G CA 1.387 46.525 45.100 0.064 0.000 0.771 726 G HN 0.483 nan 8.290 nan 0.000 0.545 727 S N -0.359 115.394 115.700 0.089 0.000 2.383 727 S HA -0.083 4.425 4.470 0.063 0.000 0.227 727 S C 2.081 176.755 174.600 0.122 0.000 1.026 727 S CA 1.332 59.583 58.200 0.084 0.000 0.981 727 S CB -0.402 62.840 63.200 0.070 0.000 0.818 727 S HN 0.366 nan 8.310 nan 0.000 0.472 728 F N 2.080 122.027 119.950 -0.004 0.000 2.102 728 F HA -0.008 4.557 4.527 0.063 0.000 0.298 728 F C 2.091 177.887 175.800 -0.007 0.000 1.105 728 F CA 1.680 59.677 58.000 -0.005 0.000 1.239 728 F CB -0.370 38.628 39.000 -0.003 0.000 0.991 728 F HN 0.183 nan 8.300 nan 0.000 0.474 729 M N 0.324 120.094 119.600 0.284 0.000 2.175 729 M HA -0.158 4.360 4.480 0.063 0.000 0.264 729 M C 1.741 178.054 176.300 0.021 0.000 1.063 729 M CA 1.302 56.685 55.300 0.137 0.000 1.119 729 M CB -1.337 31.363 32.600 0.166 0.000 1.377 729 M HN 0.151 nan 8.290 nan 0.000 0.415 730 D N 0.399 120.815 120.400 0.027 0.000 2.144 730 D HA -0.129 4.549 4.640 0.063 0.000 0.200 730 D C 1.964 178.243 176.300 -0.035 0.000 0.978 730 D CA 1.024 55.024 54.000 -0.001 0.000 0.833 730 D CB -0.133 40.673 40.800 0.010 0.000 0.961 730 D HN 0.474 nan 8.370 nan 0.000 0.470 731 E N 0.424 120.588 120.200 -0.060 0.000 2.058 731 E HA -0.140 4.248 4.350 0.063 0.000 0.194 731 E C 2.118 178.637 176.600 -0.135 0.000 0.997 731 E CA 0.302 56.643 56.400 -0.099 0.000 0.801 731 E CB -0.064 29.558 29.700 -0.130 0.000 0.746 731 E HN 0.150 nan 8.360 nan 0.000 0.450 732 L N 1.069 122.178 121.223 -0.190 0.000 2.046 732 L HA -0.165 4.213 4.340 0.063 0.000 0.208 732 L C 2.171 178.977 176.870 -0.108 0.000 1.077 732 L CA 1.544 56.272 54.840 -0.186 0.000 0.747 732 L CB -0.519 41.400 42.059 -0.235 0.000 0.896 732 L HN 0.230 nan 8.230 nan 0.000 0.432 733 L N -0.543 120.638 121.223 -0.071 0.000 2.141 733 L HA -0.197 4.181 4.340 0.063 0.000 0.209 733 L C 2.437 179.284 176.870 -0.039 0.000 1.094 733 L CA 1.500 56.314 54.840 -0.042 0.000 0.763 733 L CB -0.694 41.351 42.059 -0.023 0.000 0.908 733 L HN 0.245 nan 8.230 nan 0.000 0.437 734 T N 0.025 114.553 114.554 -0.044 0.000 2.821 734 T HA -0.128 4.260 4.350 0.063 0.000 0.267 734 T C 1.956 176.626 174.700 -0.050 0.000 1.046 734 T CA 1.087 63.165 62.100 -0.036 0.000 1.139 734 T CB -0.161 68.687 68.868 -0.035 0.000 0.871 734 T HN 0.184 nan 8.240 nan 0.000 0.454 735 L N 0.300 121.475 121.223 -0.081 0.000 2.017 735 L HA -0.063 4.315 4.340 0.063 0.000 0.208 735 L C 2.715 179.521 176.870 -0.106 0.000 1.073 735 L CA 1.327 56.099 54.840 -0.113 0.000 0.745 735 L CB -0.517 41.455 42.059 -0.146 0.000 0.894 735 L HN 0.301 nan 8.230 nan 0.000 0.432 736 M N -0.716 118.838 119.600 -0.078 0.000 2.159 736 M HA -0.197 4.321 4.480 0.063 0.000 0.263 736 M C 2.498 178.801 176.300 0.006 0.000 1.063 736 M CA 1.721 56.995 55.300 -0.042 0.000 1.110 736 M CB -0.564 32.020 32.600 -0.026 0.000 1.374 736 M HN 0.327 nan 8.290 nan 0.000 0.411 737 A N 0.489 123.312 122.820 0.005 0.000 1.940 737 A HA -0.067 4.291 4.320 0.063 0.000 0.219 737 A C 2.187 179.811 177.584 0.067 0.000 1.176 737 A CA 1.942 53.999 52.037 0.035 0.000 0.631 737 A CB -0.740 18.275 19.000 0.025 0.000 0.814 737 A HN 0.529 nan 8.150 nan 0.000 0.446 738 A N -2.967 119.874 122.820 0.035 0.000 2.278 738 A HA 0.347 4.706 4.320 0.063 0.000 0.212 738 A C 0.945 178.566 177.584 0.061 0.000 1.213 738 A CA 1.287 53.361 52.037 0.062 0.000 0.840 738 A CB -0.493 18.505 19.000 -0.002 0.000 0.866 738 A HN 0.967 nan 8.150 nan 0.000 0.489 739 H N -1.237 117.777 119.070 -0.094 0.000 4.856 739 H HA -0.184 4.410 4.556 0.064 0.000 0.059 739 H C 0.022 175.129 175.328 -0.368 0.000 0.596 739 H CA 2.377 58.342 56.048 -0.138 0.000 0.946 739 H CB -0.580 29.197 29.762 0.024 0.000 0.453 739 H HN 0.457 nan 8.280 nan 0.000 0.801 740 R N -0.197 119.729 120.500 -0.957 0.000 2.837 740 R HA 0.612 4.990 4.340 0.063 0.000 0.271 740 R C -0.630 174.811 176.300 -1.432 0.000 0.993 740 R CA -0.324 54.959 56.100 -1.361 0.000 0.931 740 R CB 1.813 30.957 30.300 -1.927 0.000 1.206 740 R HN 0.090 nan 8.270 nan 0.000 0.474 741 V N 2.602 121.907 119.914 -1.016 0.000 2.221 741 V HA 0.104 4.262 4.120 0.063 0.000 0.258 741 V C 0.657 176.372 176.094 -0.632 0.000 1.179 741 V CA -0.402 61.474 62.300 -0.706 0.000 1.022 741 V CB -0.284 31.262 31.823 -0.461 0.000 1.228 741 V HN 0.721 nan 8.190 nan 0.000 0.487 742 W N 1.598 122.623 121.300 -0.459 0.000 2.392 742 W HA -0.157 4.541 4.660 0.063 0.000 0.279 742 W C 2.471 178.784 176.519 -0.343 0.000 1.225 742 W CA 0.757 57.746 57.345 -0.593 0.000 1.233 742 W CB -0.367 28.380 29.460 -1.188 0.000 1.122 742 W HN 0.653 nan 8.180 nan 0.000 0.561 743 S N 0.591 116.251 115.700 -0.067 0.000 2.515 743 S HA -0.100 4.409 4.470 0.063 0.000 0.231 743 S C 1.700 176.266 174.600 -0.056 0.000 0.987 743 S CA 0.694 58.874 58.200 -0.034 0.000 0.936 743 S CB -0.327 62.851 63.200 -0.036 0.000 0.766 743 S HN 0.397 nan 8.310 nan 0.000 0.528 744 R N 0.513 120.938 120.500 -0.125 0.000 2.276 744 R HA 0.289 4.667 4.340 0.063 0.000 0.196 744 R C 1.715 177.956 176.300 -0.097 0.000 0.961 744 R CA 0.238 56.244 56.100 -0.157 0.000 1.024 744 R CB -0.339 29.748 30.300 -0.354 0.000 0.940 744 R HN 0.457 nan 8.270 nan 0.000 0.480 745 I N 1.952 122.501 120.570 -0.035 0.000 2.113 745 I HA -0.274 3.934 4.170 0.063 0.000 0.242 745 I C -0.837 175.311 176.117 0.052 0.000 1.064 745 I CA 1.618 62.943 61.300 0.041 0.000 1.320 745 I CB -0.993 37.075 38.000 0.114 0.000 1.028 745 I HN 0.163 nan 8.210 nan 0.000 0.406 746 P HA -0.205 nan 4.420 nan 0.000 0.216 746 P C 1.073 178.408 177.300 0.058 0.000 1.150 746 P CA 1.701 64.835 63.100 0.056 0.000 0.843 746 P CB -0.170 31.559 31.700 0.048 0.000 0.787 747 K N -0.530 119.904 120.400 0.057 0.000 2.418 747 K HA 0.060 4.418 4.320 0.063 0.000 0.195 747 K C 2.077 178.750 176.600 0.123 0.000 1.035 747 K CA 0.797 57.140 56.287 0.093 0.000 1.003 747 K CB -0.415 32.167 32.500 0.138 0.000 0.793 747 K HN 0.326 nan 8.250 nan 0.000 0.494 748 I N -1.130 119.492 120.570 0.086 0.000 2.617 748 I HA -0.072 4.136 4.170 0.063 0.000 0.256 748 I C 0.814 176.983 176.117 0.087 0.000 1.167 748 I CA 1.154 62.510 61.300 0.095 0.000 1.469 748 I CB -0.116 37.901 38.000 0.029 0.000 1.098 748 I HN -0.089 nan 8.210 nan 0.000 0.436 749 D N 1.933 122.382 120.400 0.081 0.000 2.352 749 D HA -0.068 4.610 4.640 0.063 0.000 0.232 749 D C 1.703 178.043 176.300 0.068 0.000 1.055 749 D CA 0.418 54.465 54.000 0.077 0.000 0.891 749 D CB 0.213 41.063 40.800 0.083 0.000 0.897 749 D HN 0.509 nan 8.370 nan 0.000 0.529 750 K N 1.157 121.596 120.400 0.065 0.000 2.262 750 K HA -0.006 4.352 4.320 0.063 0.000 0.200 750 K C 0.866 177.494 176.600 0.047 0.000 1.058 750 K CA -0.094 56.224 56.287 0.052 0.000 0.974 750 K CB 0.394 32.921 32.500 0.045 0.000 0.910 750 K HN 0.077 nan 8.250 nan 0.000 0.484 751 I N 2.615 123.218 120.570 0.056 0.000 2.752 751 I HA 0.084 4.292 4.170 0.063 0.000 0.289 751 I C -2.332 173.813 176.117 0.047 0.000 1.197 751 I CA -1.587 59.737 61.300 0.041 0.000 1.432 751 I CB -0.236 37.790 38.000 0.043 0.000 1.359 751 I HN -0.033 nan 8.210 nan 0.000 0.571 752 P HA 0.480 nan 4.420 nan 0.000 0.247 752 P C -0.681 176.677 177.300 0.096 0.000 1.756 752 P CA 0.020 63.154 63.100 0.056 0.000 1.117 752 P CB 0.261 31.986 31.700 0.041 0.000 1.869 753 A N 0.000 122.884 122.820 0.106 0.000 2.254 753 A HA 0.000 4.358 4.320 0.063 0.000 0.244 753 A CA 0.000 52.160 52.037 0.204 0.000 0.836 753 A CB 0.000 19.041 19.000 0.068 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486