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 1cf9_1_D DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STCQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN 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 53.985 54.000 -0.025 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.024 0.000 0.688 28 S N 0.239 115.917 115.700 -0.037 0.000 4.247 28 S HA -0.070 4.415 4.470 0.024 0.000 0.126 28 S C 1.158 175.721 174.600 -0.061 0.000 1.057 28 S CA -0.173 57.999 58.200 -0.047 0.000 0.853 28 S CB -1.151 62.027 63.200 -0.037 0.000 0.608 28 S HN 0.473 nan 8.310 nan 0.000 0.810 29 L N 0.215 121.399 121.223 -0.064 0.000 2.353 29 L HA 0.056 4.411 4.340 0.024 0.000 0.220 29 L C 1.506 178.313 176.870 -0.104 0.000 1.133 29 L CA 1.282 56.081 54.840 -0.068 0.000 0.798 29 L CB -0.617 41.411 42.059 -0.053 0.000 0.922 29 L HN 0.597 nan 8.230 nan 0.000 0.445 30 A N 1.165 123.879 122.820 -0.177 0.000 2.407 30 A HA 0.400 4.734 4.320 0.024 0.000 0.248 30 A C -1.888 175.599 177.584 -0.162 0.000 1.082 30 A CA -1.067 50.788 52.037 -0.304 0.000 0.785 30 A CB -0.382 18.206 19.000 -0.686 0.000 1.020 30 A HN -0.000 nan 8.150 nan 0.000 0.489 31 P HA 0.153 nan 4.420 nan 0.000 0.272 31 P C -0.066 177.253 177.300 0.032 0.000 1.223 31 P CA -0.071 63.031 63.100 0.004 0.000 0.784 31 P CB 0.909 32.641 31.700 0.054 0.000 0.923 32 E N 0.815 121.031 120.200 0.026 0.000 2.482 32 E HA -0.118 4.246 4.350 0.024 0.000 0.196 32 E C 0.898 177.528 176.600 0.050 0.000 1.047 32 E CA 0.735 57.155 56.400 0.033 0.000 0.869 32 E CB -0.437 29.273 29.700 0.016 0.000 0.836 32 E HN 0.426 nan 8.360 nan 0.000 0.520 33 D N -1.502 118.933 120.400 0.058 0.000 2.339 33 D HA 0.075 4.730 4.640 0.024 0.000 0.217 33 D C 1.120 177.459 176.300 0.065 0.000 1.050 33 D CA 0.598 54.629 54.000 0.051 0.000 0.856 33 D CB -0.321 40.501 40.800 0.036 0.000 0.922 33 D HN 0.115 nan 8.370 nan 0.000 0.518 34 G N 0.855 109.734 108.800 0.130 0.000 2.221 34 G HA2 -0.334 3.640 3.960 0.024 0.000 0.265 34 G HA3 -0.334 3.640 3.960 0.024 0.000 0.265 34 G C 0.908 175.800 174.900 -0.012 0.000 1.041 34 G CA 0.817 45.994 45.100 0.129 0.000 0.807 34 G HN 0.670 nan 8.290 nan 0.000 0.502 35 S N -0.085 115.665 115.700 0.083 0.000 2.603 35 S HA 0.001 4.486 4.470 0.024 0.000 0.220 35 S C 1.941 176.554 174.600 0.022 0.000 0.967 35 S CA 0.957 59.171 58.200 0.023 0.000 0.920 35 S CB -0.433 62.791 63.200 0.041 0.000 0.773 35 S HN 0.918 nan 8.310 nan 0.000 0.529 36 H N 1.051 120.129 119.070 0.013 0.000 2.428 36 H HA 0.204 4.774 4.556 0.024 0.000 0.296 36 H C 0.970 176.310 175.328 0.021 0.000 1.062 36 H CA 0.551 56.608 56.048 0.015 0.000 1.350 36 H CB -0.385 29.385 29.762 0.013 0.000 1.403 36 H HN 0.345 nan 8.280 nan 0.000 0.533 37 R N 3.082 123.224 120.500 -0.597 0.000 2.265 37 R HA 0.308 4.663 4.340 0.024 0.000 0.319 37 R C -2.531 173.671 176.300 -0.163 0.000 1.006 37 R CA -2.122 53.764 56.100 -0.357 0.000 0.880 37 R CB 0.742 30.742 30.300 -0.499 0.000 1.077 37 R HN 0.141 nan 8.270 nan 0.000 0.454 38 P HA 0.191 nan 4.420 nan 0.000 0.278 38 P C -1.014 176.278 177.300 -0.014 0.000 1.238 38 P CA -0.514 62.575 63.100 -0.018 0.000 0.794 38 P CB 1.171 32.886 31.700 0.026 0.000 0.955 39 A N 2.447 125.264 122.820 -0.004 0.000 2.511 39 A HA 0.384 4.718 4.320 0.024 0.000 0.242 39 A C 0.946 178.542 177.584 0.019 0.000 1.069 39 A CA 0.065 52.103 52.037 0.002 0.000 0.763 39 A CB -0.450 18.553 19.000 0.006 0.000 1.001 39 A HN 0.577 nan 8.150 nan 0.000 0.498 40 A N 2.267 125.097 122.820 0.018 0.000 3.118 40 A HA 0.520 4.854 4.320 0.024 0.000 0.256 40 A C 0.225 177.827 177.584 0.031 0.000 1.667 40 A CA 0.372 52.426 52.037 0.028 0.000 1.338 40 A CB -0.786 18.227 19.000 0.023 0.000 1.127 40 A HN 0.994 nan 8.150 nan 0.000 0.634 41 E N 0.388 120.609 120.200 0.035 0.000 2.388 41 E HA 0.477 4.841 4.350 0.024 0.000 0.280 41 E C -3.279 173.344 176.600 0.038 0.000 1.019 41 E CA -1.615 54.806 56.400 0.035 0.000 0.806 41 E CB 1.544 31.259 29.700 0.025 0.000 1.246 41 E HN 0.025 nan 8.360 nan 0.000 0.443 42 P HA 0.127 nan 4.420 nan 0.000 0.264 42 P C -0.856 176.458 177.300 0.023 0.000 1.193 42 P CA 0.137 63.254 63.100 0.027 0.000 0.763 42 P CB 0.399 32.101 31.700 0.004 0.000 0.810 43 T N 0.915 115.482 114.554 0.023 0.000 2.916 43 T HA 0.615 4.979 4.350 0.024 0.000 0.305 43 T C -3.045 171.652 174.700 -0.005 0.000 1.119 43 T CA -2.667 59.444 62.100 0.019 0.000 1.008 43 T CB 1.453 70.334 68.868 0.022 0.000 1.129 43 T HN 0.016 nan 8.240 nan 0.000 0.480 44 P HA 0.365 nan 4.420 nan 0.000 0.272 44 P C -2.671 174.529 177.300 -0.167 0.000 1.230 44 P CA -1.429 61.593 63.100 -0.130 0.000 0.788 44 P CB -0.858 30.847 31.700 0.008 0.000 0.949 45 P HA 0.051 nan 4.420 nan 0.000 0.264 45 P C 1.032 178.292 177.300 -0.068 0.000 1.193 45 P CA 1.354 64.360 63.100 -0.156 0.000 0.763 45 P CB -0.108 31.476 31.700 -0.194 0.000 0.810 46 G N 2.711 111.500 108.800 -0.018 0.000 2.205 46 G HA2 -0.365 3.610 3.960 0.024 0.000 0.261 46 G HA3 -0.365 3.610 3.960 0.024 0.000 0.261 46 G C 1.165 176.069 174.900 0.008 0.000 0.980 46 G CA 0.475 45.577 45.100 0.003 0.000 0.632 46 G HN 0.677 nan 8.290 nan 0.000 0.533 47 A N -1.196 121.626 122.820 0.003 0.000 1.968 47 A HA 0.405 4.739 4.320 0.024 0.000 0.217 47 A C 1.355 178.948 177.584 0.014 0.000 1.169 47 A CA 2.011 54.055 52.037 0.011 0.000 0.638 47 A CB 0.008 19.014 19.000 0.011 0.000 0.812 47 A HN 0.513 nan 8.150 nan 0.000 0.446 48 Q N -1.109 118.702 119.800 0.020 0.000 2.456 48 Q HA 0.443 4.797 4.340 0.024 0.000 0.283 48 Q C -2.983 173.036 176.000 0.032 0.000 1.084 48 Q CA -2.052 53.764 55.803 0.023 0.000 0.801 48 Q CB 0.993 29.748 28.738 0.028 0.000 1.434 48 Q HN 0.065 nan 8.270 nan 0.000 0.419 49 P HA 0.066 nan 4.420 nan 0.000 0.269 49 P C -0.263 177.074 177.300 0.061 0.000 1.209 49 P CA 0.014 63.134 63.100 0.033 0.000 0.776 49 P CB 0.303 32.019 31.700 0.027 0.000 0.876 50 T N -0.706 113.886 114.554 0.062 0.000 2.828 50 T HA 0.656 5.021 4.350 0.024 0.000 0.290 50 T C -0.025 174.767 174.700 0.153 0.000 1.019 50 T CA -0.501 61.687 62.100 0.147 0.000 1.031 50 T CB 0.795 69.704 68.868 0.068 0.000 1.001 50 T HN 0.583 nan 8.240 nan 0.000 0.531 51 A N 1.224 124.224 122.820 0.301 0.000 2.602 51 A HA 0.772 5.107 4.320 0.024 0.000 0.290 51 A C -3.098 174.750 177.584 0.441 0.000 1.114 51 A CA -1.959 50.237 52.037 0.265 0.000 0.683 51 A CB 0.391 19.503 19.000 0.186 0.000 1.281 51 A HN 0.647 nan 8.150 nan 0.000 0.416 52 P HA 0.128 nan 4.420 nan 0.000 0.264 52 P C 1.242 178.699 177.300 0.261 0.000 1.183 52 P CA 1.036 64.352 63.100 0.360 0.000 0.763 52 P CB 0.607 32.441 31.700 0.223 0.000 0.807 53 G N 2.558 111.471 108.800 0.189 0.000 2.513 53 G HA2 -0.322 3.653 3.960 0.024 0.000 0.219 53 G HA3 -0.322 3.653 3.960 0.024 0.000 0.219 53 G C 1.594 176.514 174.900 0.033 0.000 1.160 53 G CA 1.217 46.335 45.100 0.031 0.000 0.767 53 G HN 0.587 nan 8.290 nan 0.000 0.571 54 S N 0.084 115.808 115.700 0.040 0.000 2.447 54 S HA 0.103 4.587 4.470 0.024 0.000 0.233 54 S C 2.250 176.871 174.600 0.035 0.000 1.006 54 S CA 1.025 59.235 58.200 0.017 0.000 0.957 54 S CB -0.196 63.009 63.200 0.008 0.000 0.773 54 S HN 0.332 nan 8.310 nan 0.000 0.507 55 L N -0.006 121.255 121.223 0.063 0.000 2.202 55 L HA 0.248 4.602 4.340 0.024 0.000 0.205 55 L C 2.690 179.597 176.870 0.062 0.000 1.083 55 L CA 0.918 55.797 54.840 0.064 0.000 0.790 55 L CB -0.333 41.775 42.059 0.081 0.000 0.942 55 L HN 0.253 nan 8.230 nan 0.000 0.452 56 K N 1.352 121.800 120.400 0.079 0.000 2.103 56 K HA 0.029 4.364 4.320 0.024 0.000 0.204 56 K C 0.719 177.351 176.600 0.054 0.000 1.052 56 K CA 1.253 57.586 56.287 0.076 0.000 0.945 56 K CB 0.140 32.703 32.500 0.104 0.000 0.722 56 K HN 0.151 nan 8.250 nan 0.000 0.443 57 A N 0.801 123.645 122.820 0.040 0.000 3.317 57 A HA 0.352 4.687 4.320 0.024 0.000 0.307 57 A C -2.197 175.395 177.584 0.013 0.000 1.003 57 A CA -1.073 50.984 52.037 0.034 0.000 0.882 57 A CB 0.627 19.650 19.000 0.038 0.000 1.136 57 A HN 0.143 nan 8.150 nan 0.000 0.488 58 P HA -0.136 nan 4.420 nan 0.000 0.220 58 P C 0.176 177.471 177.300 -0.008 0.000 1.148 58 P CA 1.224 64.325 63.100 0.002 0.000 0.803 58 P CB 0.311 32.016 31.700 0.009 0.000 0.782 59 D N -0.999 119.401 120.400 0.000 0.000 2.340 59 D HA 0.012 4.666 4.640 0.024 0.000 0.220 59 D C 0.321 176.612 176.300 -0.016 0.000 1.039 59 D CA 0.599 54.596 54.000 -0.006 0.000 0.866 59 D CB -0.387 40.417 40.800 0.007 0.000 0.913 59 D HN 0.126 nan 8.370 nan 0.000 0.523 60 T N 1.958 116.501 114.554 -0.019 0.000 2.737 60 T HA 0.397 4.762 4.350 0.024 0.000 0.296 60 T C 0.319 174.975 174.700 -0.073 0.000 0.922 60 T CA -0.250 61.825 62.100 -0.043 0.000 1.079 60 T CB 1.100 69.944 68.868 -0.040 0.000 0.892 60 T HN -0.177 nan 8.240 nan 0.000 0.514 61 R N 2.554 123.002 120.500 -0.087 0.000 2.836 61 R HA 0.739 5.093 4.340 0.024 0.000 0.269 61 R C -0.720 175.516 176.300 -0.108 0.000 1.010 61 R CA -1.017 55.024 56.100 -0.097 0.000 0.930 61 R CB 1.444 31.695 30.300 -0.080 0.000 1.218 61 R HN 0.813 nan 8.270 nan 0.000 0.473 62 N N -2.420 116.219 118.700 -0.101 0.000 3.046 62 N HA 0.081 4.836 4.740 0.024 0.000 0.243 62 N C -0.065 175.396 175.510 -0.081 0.000 1.452 62 N CA -0.724 52.277 53.050 -0.081 0.000 0.882 62 N CB 0.544 39.009 38.487 -0.036 0.000 1.425 62 N HN 0.539 nan 8.380 nan 0.000 0.517 63 E N -0.066 120.101 120.200 -0.056 0.000 2.110 63 E HA -0.244 4.120 4.350 0.024 0.000 0.193 63 E C 1.056 177.585 176.600 -0.119 0.000 0.988 63 E CA 1.400 57.761 56.400 -0.065 0.000 0.804 63 E CB 0.074 29.759 29.700 -0.025 0.000 0.745 63 E HN 0.508 nan 8.360 nan 0.000 0.458 64 K N 0.785 121.083 120.400 -0.169 0.000 2.057 64 K HA -0.089 4.246 4.320 0.024 0.000 0.206 64 K C 2.125 178.565 176.600 -0.267 0.000 1.050 64 K CA 1.141 57.240 56.287 -0.313 0.000 0.935 64 K CB -0.388 31.773 32.500 -0.566 0.000 0.715 64 K HN 0.185 nan 8.250 nan 0.000 0.439 65 L N 0.794 121.869 121.223 -0.246 0.000 2.046 65 L HA -0.205 4.150 4.340 0.024 0.000 0.208 65 L C 1.870 178.626 176.870 -0.189 0.000 1.077 65 L CA 1.257 55.926 54.840 -0.284 0.000 0.747 65 L CB -0.561 41.328 42.059 -0.283 0.000 0.896 65 L HN 0.278 nan 8.230 nan 0.000 0.432 66 N N -0.437 118.178 118.700 -0.143 0.000 2.188 66 N HA -0.149 4.606 4.740 0.024 0.000 0.184 66 N C 2.067 177.518 175.510 -0.098 0.000 1.018 66 N CA 1.604 54.592 53.050 -0.104 0.000 0.858 66 N CB -0.304 38.135 38.487 -0.080 0.000 0.989 66 N HN 0.347 nan 8.380 nan 0.000 0.426 67 S N 0.150 115.780 115.700 -0.117 0.000 2.481 67 S HA 0.054 4.539 4.470 0.024 0.000 0.231 67 S C 1.783 176.319 174.600 -0.106 0.000 0.996 67 S CA 0.320 58.458 58.200 -0.103 0.000 0.942 67 S CB -0.352 62.781 63.200 -0.111 0.000 0.768 67 S HN 0.233 nan 8.310 nan 0.000 0.520 68 L N 0.795 121.940 121.223 -0.130 0.000 2.554 68 L HA 0.180 4.535 4.340 0.024 0.000 0.226 68 L C 2.630 179.451 176.870 -0.081 0.000 1.137 68 L CA 0.612 55.385 54.840 -0.113 0.000 0.863 68 L CB -0.384 41.590 42.059 -0.142 0.000 0.985 68 L HN 0.303 nan 8.230 nan 0.000 0.451 69 E N 1.201 121.356 120.200 -0.075 0.000 2.130 69 E HA -0.289 4.076 4.350 0.024 0.000 0.196 69 E C 1.732 178.309 176.600 -0.038 0.000 0.998 69 E CA 1.711 58.080 56.400 -0.052 0.000 0.806 69 E CB -0.102 29.571 29.700 -0.046 0.000 0.738 69 E HN 0.568 nan 8.360 nan 0.000 0.459 70 D N -0.378 119.998 120.400 -0.040 0.000 2.265 70 D HA -0.148 4.507 4.640 0.024 0.000 0.208 70 D C 1.580 177.862 176.300 -0.031 0.000 0.977 70 D CA 1.661 55.641 54.000 -0.033 0.000 0.871 70 D CB -0.177 40.603 40.800 -0.034 0.000 0.925 70 D HN 0.318 nan 8.370 nan 0.000 0.485 71 V N -3.515 116.379 119.914 -0.033 0.000 3.528 71 V HA 0.337 4.471 4.120 0.024 0.000 0.294 71 V C 0.864 176.948 176.094 -0.017 0.000 1.404 71 V CA -0.696 61.588 62.300 -0.026 0.000 1.065 71 V CB -0.453 31.354 31.823 -0.028 0.000 0.904 71 V HN -0.158 nan 8.190 nan 0.000 0.435 72 R N 2.143 122.633 120.500 -0.017 0.000 2.489 72 R HA 0.380 4.735 4.340 0.024 0.000 0.287 72 R C -0.154 176.146 176.300 -0.001 0.000 1.053 72 R CA 0.206 56.304 56.100 -0.003 0.000 1.036 72 R CB 0.578 30.876 30.300 -0.003 0.000 0.966 72 R HN 0.354 nan 8.270 nan 0.000 0.432 73 K N 1.423 121.826 120.400 0.006 0.000 2.323 73 K HA 0.300 4.635 4.320 0.024 0.000 0.259 73 K C 0.009 176.624 176.600 0.025 0.000 0.947 73 K CA -0.404 55.876 56.287 -0.011 0.000 0.819 73 K CB 1.983 34.461 32.500 -0.036 0.000 1.109 73 K HN 0.748 nan 8.250 nan 0.000 0.429 74 G N 0.431 109.263 108.800 0.053 0.000 2.504 74 G HA2 0.205 4.180 3.960 0.024 0.000 0.257 74 G HA3 0.205 4.180 3.960 0.024 0.000 0.257 74 G C 0.458 175.460 174.900 0.171 0.000 1.451 74 G CA 0.236 45.422 45.100 0.143 0.000 1.059 74 G HN 0.681 nan 8.290 nan 0.000 0.550 75 S N -2.580 113.295 115.700 0.291 0.000 2.961 75 S HA 0.131 4.615 4.470 0.024 0.000 0.253 75 S C 0.272 175.042 174.600 0.284 0.000 1.029 75 S CA -0.193 58.177 58.200 0.284 0.000 1.087 75 S CB 0.095 63.380 63.200 0.142 0.000 0.932 75 S HN 0.518 nan 8.310 nan 0.000 0.418 76 E N 3.119 123.403 120.200 0.140 0.000 2.414 76 E HA 0.253 4.618 4.350 0.024 0.000 0.263 76 E C -0.261 176.237 176.600 -0.170 0.000 1.000 76 E CA 0.224 56.631 56.400 0.012 0.000 0.914 76 E CB 0.041 29.744 29.700 0.004 0.000 0.948 76 E HN 0.384 nan 8.360 nan 0.000 0.444 77 N N 0.598 119.214 118.700 -0.141 0.000 2.753 77 N HA -0.224 4.531 4.740 0.024 0.000 0.251 77 N C -1.055 174.308 175.510 -0.246 0.000 1.097 77 N CA 1.208 54.138 53.050 -0.200 0.000 0.786 77 N CB -1.442 36.901 38.487 -0.240 0.000 1.137 77 N HN 0.375 nan 8.380 nan 0.000 0.566 78 Y N 0.413 120.717 120.300 0.006 0.000 2.453 78 Y HA 0.644 5.210 4.550 0.025 0.000 0.326 78 Y C 0.938 176.839 175.900 0.002 0.000 1.186 78 Y CA -0.546 57.557 58.100 0.004 0.000 1.200 78 Y CB 0.946 39.410 38.460 0.005 0.000 1.247 78 Y HN 0.112 nan 8.280 nan 0.000 0.482 79 A N 1.943 124.876 122.820 0.189 0.000 2.371 79 A HA 0.423 4.757 4.320 0.024 0.000 0.257 79 A C -0.816 176.816 177.584 0.079 0.000 1.089 79 A CA -0.502 51.593 52.037 0.098 0.000 0.794 79 A CB 0.086 19.132 19.000 0.076 0.000 1.029 79 A HN 0.701 nan 8.150 nan 0.000 0.488 80 L N 2.924 124.174 121.223 0.045 0.000 2.360 80 L HA 0.526 4.881 4.340 0.024 0.000 0.276 80 L C 0.597 177.475 176.870 0.012 0.000 1.121 80 L CA 1.003 55.856 54.840 0.022 0.000 0.845 80 L CB 0.450 42.514 42.059 0.008 0.000 1.143 80 L HN 0.892 nan 8.230 nan 0.000 0.452 81 T N 0.394 114.949 114.554 0.002 0.000 2.887 81 T HA 0.650 5.014 4.350 0.024 0.000 0.292 81 T C 0.216 174.915 174.700 -0.002 0.000 1.087 81 T CA -0.184 61.919 62.100 0.005 0.000 1.009 81 T CB 1.060 69.932 68.868 0.007 0.000 1.203 81 T HN 0.796 nan 8.240 nan 0.000 0.518 82 T N 0.352 114.918 114.554 0.020 0.000 2.701 82 T HA 0.196 4.560 4.350 0.024 0.000 0.303 82 T C 1.098 175.806 174.700 0.014 0.000 1.030 82 T CA -0.428 61.690 62.100 0.030 0.000 1.010 82 T CB -0.064 68.866 68.868 0.103 0.000 1.007 82 T HN 0.564 nan 8.240 nan 0.000 0.532 83 N N 0.598 119.305 118.700 0.011 0.000 2.381 83 N HA -0.074 4.680 4.740 0.024 0.000 0.182 83 N C 1.620 177.137 175.510 0.011 0.000 1.025 83 N CA 0.693 53.740 53.050 -0.005 0.000 0.888 83 N CB -0.171 38.315 38.487 -0.002 0.000 0.965 83 N HN 0.586 nan 8.380 nan 0.000 0.438 84 Q N -0.567 119.253 119.800 0.034 0.000 2.365 84 Q HA 0.201 4.556 4.340 0.024 0.000 0.203 84 Q C 0.853 176.868 176.000 0.025 0.000 0.929 84 Q CA 0.280 56.101 55.803 0.029 0.000 0.948 84 Q CB 0.455 29.215 28.738 0.037 0.000 1.043 84 Q HN 0.397 nan 8.270 nan 0.000 0.505 85 G N 0.336 109.150 108.800 0.023 0.000 2.157 85 G HA2 -0.237 3.737 3.960 0.024 0.000 0.239 85 G HA3 -0.237 3.737 3.960 0.024 0.000 0.239 85 G C 0.121 175.042 174.900 0.035 0.000 0.982 85 G CA 0.067 45.177 45.100 0.016 0.000 0.650 85 G HN 0.231 nan 8.290 nan 0.000 0.527 86 V N 2.124 122.076 119.914 0.063 0.000 2.455 86 V HA 0.338 4.473 4.120 0.024 0.000 0.273 86 V C 1.363 177.497 176.094 0.067 0.000 1.045 86 V CA -0.475 61.877 62.300 0.086 0.000 0.976 86 V CB 0.993 32.917 31.823 0.168 0.000 0.993 86 V HN 0.401 nan 8.190 nan 0.000 0.475 87 R N 4.313 124.844 120.500 0.053 0.000 2.623 87 R HA 0.304 4.659 4.340 0.024 0.000 0.271 87 R C -0.496 175.820 176.300 0.028 0.000 1.043 87 R CA 0.045 56.167 56.100 0.037 0.000 1.083 87 R CB 0.426 30.747 30.300 0.035 0.000 0.974 87 R HN 0.577 nan 8.270 nan 0.000 0.436 88 I N 1.916 122.489 120.570 0.006 0.000 2.359 88 I HA 0.156 4.340 4.170 0.024 0.000 0.294 88 I C 0.902 177.010 176.117 -0.015 0.000 0.987 88 I CA -0.044 61.243 61.300 -0.020 0.000 1.225 88 I CB 1.934 39.910 38.000 -0.041 0.000 1.366 88 I HN 0.749 nan 8.210 nan 0.000 0.466 89 A N 3.804 126.612 122.820 -0.021 0.000 1.924 89 A HA 0.034 4.369 4.320 0.024 0.000 0.211 89 A C 0.651 178.221 177.584 -0.024 0.000 1.198 89 A CA 0.894 52.921 52.037 -0.015 0.000 0.657 89 A CB 0.078 19.072 19.000 -0.010 0.000 0.852 89 A HN 0.683 nan 8.150 nan 0.000 0.454 90 D N -0.483 119.894 120.400 -0.038 0.000 2.440 90 D HA 0.331 4.986 4.640 0.024 0.000 0.252 90 D C -1.347 174.921 176.300 -0.053 0.000 1.180 90 D CA -0.343 53.632 54.000 -0.040 0.000 0.894 90 D CB 1.211 41.988 40.800 -0.039 0.000 1.111 90 D HN 0.076 nan 8.370 nan 0.000 0.544 91 D N 2.057 122.428 120.400 -0.047 0.000 2.395 91 D HA 0.052 4.707 4.640 0.024 0.000 0.226 91 D C 0.616 176.884 176.300 -0.053 0.000 1.146 91 D CA 0.247 54.214 54.000 -0.054 0.000 0.830 91 D CB 0.510 41.282 40.800 -0.045 0.000 0.958 91 D HN 0.217 nan 8.370 nan 0.000 0.501 92 Q N -0.650 119.120 119.800 -0.049 0.000 2.280 92 Q HA 0.276 4.631 4.340 0.024 0.000 0.228 92 Q C -0.153 175.818 176.000 -0.048 0.000 0.857 92 Q CA 0.215 55.990 55.803 -0.046 0.000 0.939 92 Q CB 0.799 29.515 28.738 -0.038 0.000 1.114 92 Q HN 0.196 nan 8.270 nan 0.000 0.514 93 N N 0.053 118.722 118.700 -0.051 0.000 2.277 93 N HA 0.300 5.055 4.740 0.024 0.000 0.286 93 N C -1.015 174.462 175.510 -0.056 0.000 1.140 93 N CA -0.244 52.777 53.050 -0.048 0.000 0.799 93 N CB 2.140 40.604 38.487 -0.039 0.000 1.596 93 N HN -0.181 nan 8.380 nan 0.000 0.473 94 S N 0.763 116.433 115.700 -0.050 0.000 2.603 94 S HA 0.277 4.761 4.470 0.024 0.000 0.268 94 S C 0.115 174.690 174.600 -0.042 0.000 1.317 94 S CA -0.532 57.638 58.200 -0.050 0.000 1.012 94 S CB 0.669 63.846 63.200 -0.038 0.000 0.926 94 S HN 0.377 nan 8.310 nan 0.000 0.539 95 L N 3.509 124.707 121.223 -0.042 0.000 2.319 95 L HA 0.442 4.797 4.340 0.024 0.000 0.280 95 L C 0.043 176.904 176.870 -0.014 0.000 1.099 95 L CA 0.369 55.193 54.840 -0.027 0.000 0.828 95 L CB -0.055 41.989 42.059 -0.025 0.000 1.150 95 L HN 0.717 nan 8.230 nan 0.000 0.442 96 R N 4.107 124.601 120.500 -0.010 0.000 2.836 96 R HA 0.861 5.215 4.340 0.024 0.000 0.269 96 R C -1.119 175.180 176.300 -0.001 0.000 1.010 96 R CA -0.878 55.219 56.100 -0.005 0.000 0.930 96 R CB 1.113 31.408 30.300 -0.008 0.000 1.218 96 R HN 0.573 nan 8.270 nan 0.000 0.473 97 A N 1.188 124.008 122.820 0.001 0.000 2.666 97 A HA 0.596 4.931 4.320 0.024 0.000 0.312 97 A C 0.505 178.089 177.584 0.000 0.000 1.471 97 A CA 0.288 52.327 52.037 0.002 0.000 1.134 97 A CB -0.897 18.106 19.000 0.004 0.000 1.129 97 A HN 1.198 nan 8.150 nan 0.000 0.539 98 G N 0.986 109.786 108.800 -0.001 0.000 2.712 98 G HA2 0.078 4.052 3.960 0.024 0.000 0.686 98 G HA3 0.078 4.052 3.960 0.024 0.000 0.686 98 G C 0.591 175.489 174.900 -0.005 0.000 1.181 98 G CA 0.033 45.131 45.100 -0.002 0.000 0.762 98 G HN 1.708 nan 8.290 nan 0.000 0.641 99 S N -0.080 115.616 115.700 -0.006 0.000 2.507 99 S HA -0.007 4.477 4.470 0.024 0.000 0.235 99 S C 1.490 176.085 174.600 -0.009 0.000 0.988 99 S CA 1.312 59.508 58.200 -0.008 0.000 0.944 99 S CB 0.054 63.248 63.200 -0.009 0.000 0.762 99 S HN 0.738 nan 8.310 nan 0.000 0.526 100 R N 1.069 121.565 120.500 -0.007 0.000 2.633 100 R HA 0.345 4.699 4.340 0.024 0.000 0.348 100 R C 0.812 177.109 176.300 -0.005 0.000 1.100 100 R CA 0.044 56.140 56.100 -0.007 0.000 1.068 100 R CB 0.733 31.030 30.300 -0.006 0.000 1.351 100 R HN 0.439 nan 8.270 nan 0.000 0.575 101 G N 1.744 110.542 108.800 -0.005 0.000 2.642 101 G HA2 0.398 4.373 3.960 0.024 0.000 0.291 101 G HA3 0.398 4.373 3.960 0.024 0.000 0.291 101 G C -2.420 172.478 174.900 -0.003 0.000 1.345 101 G CA -1.134 43.964 45.100 -0.003 0.000 1.043 101 G HN -0.101 nan 8.290 nan 0.000 0.528 102 P HA 0.202 nan 4.420 nan 0.000 0.275 102 P C -0.186 177.114 177.300 -0.000 0.000 1.228 102 P CA 0.007 63.108 63.100 0.000 0.000 0.786 102 P CB 0.780 32.482 31.700 0.003 0.000 0.927 103 T N 2.700 117.254 114.554 -0.001 0.000 2.907 103 T HA 0.268 4.632 4.350 0.024 0.000 0.298 103 T C 0.485 175.188 174.700 0.005 0.000 1.017 103 T CA -0.153 61.946 62.100 -0.001 0.000 1.118 103 T CB 0.042 68.908 68.868 -0.004 0.000 0.948 103 T HN 0.194 nan 8.240 nan 0.000 0.531 104 L N 3.506 124.733 121.223 0.008 0.000 2.325 104 L HA 0.317 4.672 4.340 0.024 0.000 0.279 104 L C 1.403 178.288 176.870 0.025 0.000 1.054 104 L CA -0.804 54.046 54.840 0.017 0.000 0.804 104 L CB 0.934 43.005 42.059 0.020 0.000 1.200 104 L HN 0.509 nan 8.230 nan 0.000 0.436 105 L N 2.304 123.546 121.223 0.031 0.000 2.187 105 L HA -0.199 4.155 4.340 0.024 0.000 0.213 105 L C 2.313 179.219 176.870 0.060 0.000 1.100 105 L CA 1.714 56.578 54.840 0.040 0.000 0.765 105 L CB -0.587 41.493 42.059 0.036 0.000 0.904 105 L HN 0.790 nan 8.230 nan 0.000 0.437 106 E N -1.625 118.615 120.200 0.067 0.000 2.516 106 E HA -0.165 4.200 4.350 0.024 0.000 0.199 106 E C 0.252 176.943 176.600 0.152 0.000 1.069 106 E CA 0.189 56.655 56.400 0.110 0.000 0.876 106 E CB -0.556 29.206 29.700 0.102 0.000 0.843 106 E HN 0.369 nan 8.360 nan 0.000 0.530 107 D N 1.385 121.830 120.400 0.075 0.000 2.429 107 D HA -0.073 4.582 4.640 0.024 0.000 0.253 107 D C 0.460 176.760 176.300 -0.000 0.000 1.294 107 D CA -0.320 53.678 54.000 -0.003 0.000 1.063 107 D CB -0.189 40.584 40.800 -0.045 0.000 1.096 107 D HN 0.312 nan 8.370 nan 0.000 0.516 108 F N 1.916 121.872 119.950 0.011 0.000 2.407 108 F HA 0.058 4.596 4.527 0.017 0.000 0.299 108 F C 1.602 177.411 175.800 0.015 0.000 1.097 108 F CA 0.154 58.162 58.000 0.014 0.000 1.422 108 F CB -0.588 38.419 39.000 0.012 0.000 1.067 108 F HN 0.186 nan 8.300 nan 0.000 0.539 109 I N 0.338 120.487 120.570 -0.702 0.000 2.277 109 I HA -0.172 4.012 4.170 0.024 0.000 0.243 109 I C 2.474 178.476 176.117 -0.191 0.000 1.094 109 I CA 0.959 61.972 61.300 -0.479 0.000 1.393 109 I CB -0.508 37.155 38.000 -0.560 0.000 1.078 109 I HN 0.276 nan 8.210 nan 0.000 0.417 110 L N 1.140 122.264 121.223 -0.165 0.000 1.989 110 L HA -0.205 4.149 4.340 0.024 0.000 0.211 110 L C 2.648 179.506 176.870 -0.020 0.000 1.071 110 L CA 1.879 56.672 54.840 -0.078 0.000 0.749 110 L CB -0.561 41.460 42.059 -0.064 0.000 0.890 110 L HN 0.050 nan 8.230 nan 0.000 0.431 111 R N -0.538 119.965 120.500 0.004 0.000 2.096 111 R HA -0.194 4.160 4.340 0.024 0.000 0.235 111 R C 2.333 178.682 176.300 0.082 0.000 1.127 111 R CA 1.654 57.788 56.100 0.057 0.000 0.968 111 R CB -0.422 29.925 30.300 0.078 0.000 0.861 111 R HN 0.613 nan 8.270 nan 0.000 0.440 112 E N 1.137 121.386 120.200 0.082 0.000 2.051 112 E HA -0.241 4.124 4.350 0.024 0.000 0.192 112 E C 1.969 178.636 176.600 0.112 0.000 0.991 112 E CA 1.288 57.751 56.400 0.104 0.000 0.799 112 E CB 0.091 29.852 29.700 0.101 0.000 0.748 112 E HN 0.153 nan 8.360 nan 0.000 0.449 113 K N 0.249 120.689 120.400 0.067 0.000 2.026 113 K HA -0.151 4.184 4.320 0.024 0.000 0.208 113 K C 2.158 178.835 176.600 0.129 0.000 1.048 113 K CA 1.390 57.718 56.287 0.067 0.000 0.929 113 K CB -0.051 32.448 32.500 -0.003 0.000 0.713 113 K HN 0.144 nan 8.250 nan 0.000 0.439 114 I N 1.363 121.995 120.570 0.104 0.000 2.252 114 I HA -0.199 3.986 4.170 0.024 0.000 0.245 114 I C 2.215 178.480 176.117 0.246 0.000 1.102 114 I CA 1.393 62.788 61.300 0.159 0.000 1.385 114 I CB -1.452 36.606 38.000 0.097 0.000 1.064 114 I HN 0.257 nan 8.210 nan 0.000 0.414 115 T N -0.248 114.430 114.554 0.207 0.000 2.684 115 T HA -0.241 4.123 4.350 0.024 0.000 0.267 115 T C 1.966 176.842 174.700 0.294 0.000 1.036 115 T CA 1.557 63.804 62.100 0.244 0.000 1.148 115 T CB -0.436 68.537 68.868 0.174 0.000 0.863 115 T HN 0.361 nan 8.240 nan 0.000 0.436 116 H N -0.158 119.013 119.070 0.168 0.000 2.389 116 H HA -0.042 4.528 4.556 0.023 0.000 0.299 116 H C 2.196 177.616 175.328 0.152 0.000 1.081 116 H CA 1.377 57.506 56.048 0.135 0.000 1.345 116 H CB -0.377 29.435 29.762 0.084 0.000 1.393 116 H HN 0.410 nan 8.280 nan 0.000 0.520 117 F N 2.197 122.238 119.950 0.153 0.000 2.075 117 F HA -0.196 4.343 4.527 0.020 0.000 0.297 117 F C 1.997 177.793 175.800 -0.006 0.000 1.113 117 F CA 1.792 59.830 58.000 0.064 0.000 1.218 117 F CB -0.454 38.574 39.000 0.046 0.000 0.984 117 F HN 0.043 nan 8.300 nan 0.000 0.472 118 D N -0.954 119.444 120.400 -0.004 0.000 2.271 118 D HA -0.192 4.463 4.640 0.024 0.000 0.207 118 D C 1.329 177.383 176.300 -0.410 0.000 0.983 118 D CA 1.383 55.245 54.000 -0.230 0.000 0.878 118 D CB -0.474 40.280 40.800 -0.077 0.000 0.920 118 D HN 0.534 nan 8.370 nan 0.000 0.479 119 H N -0.404 118.533 119.070 -0.221 0.000 2.469 119 H HA 0.197 4.763 4.556 0.016 0.000 0.286 119 H C 0.999 176.151 175.328 -0.293 0.000 1.106 119 H CA -0.081 55.836 56.048 -0.219 0.000 1.055 119 H CB 0.618 30.264 29.762 -0.193 0.000 1.618 119 H HN 0.259 nan 8.280 nan 0.000 0.559 120 E N 0.570 120.601 120.200 -0.281 0.000 2.106 120 E HA -0.055 4.309 4.350 0.024 0.000 0.192 120 E C 0.583 177.021 176.600 -0.270 0.000 0.984 120 E CA 0.547 56.753 56.400 -0.324 0.000 0.806 120 E CB 0.456 29.952 29.700 -0.340 0.000 0.750 120 E HN 0.156 nan 8.360 nan 0.000 0.458 121 R N 1.046 121.443 120.500 -0.172 0.000 2.531 121 R HA 0.331 4.685 4.340 0.024 0.000 0.273 121 R C 0.477 176.808 176.300 0.051 0.000 1.070 121 R CA -0.141 55.932 56.100 -0.045 0.000 1.112 121 R CB 0.426 30.688 30.300 -0.064 0.000 1.049 121 R HN 0.186 nan 8.270 nan 0.000 0.508 122 I N -1.399 119.263 120.570 0.153 0.000 3.002 122 I HA 0.590 4.774 4.170 0.024 0.000 0.310 122 I C -2.290 173.885 176.117 0.096 0.000 1.087 122 I CA -2.972 58.412 61.300 0.140 0.000 1.017 122 I CB 1.943 40.060 38.000 0.195 0.000 1.226 122 I HN 0.244 nan 8.210 nan 0.000 0.443 123 P HA 0.108 nan 4.420 nan 0.000 0.268 123 P C -0.893 176.431 177.300 0.041 0.000 1.204 123 P CA -0.082 63.041 63.100 0.038 0.000 0.768 123 P CB 0.433 32.146 31.700 0.023 0.000 0.842 124 E N 2.793 123.016 120.200 0.039 0.000 2.392 124 E HA 0.146 4.510 4.350 0.024 0.000 0.256 124 E C -0.440 176.174 176.600 0.024 0.000 1.145 124 E CA -0.781 55.645 56.400 0.043 0.000 0.929 124 E CB 0.579 30.307 29.700 0.047 0.000 0.998 124 E HN 0.260 nan 8.360 nan 0.000 0.442 125 R N 0.962 121.479 120.500 0.030 0.000 2.640 125 R HA -0.028 4.327 4.340 0.024 0.000 0.270 125 R C 1.276 177.583 176.300 0.011 0.000 1.024 125 R CA -0.405 55.706 56.100 0.018 0.000 1.085 125 R CB 0.242 30.574 30.300 0.053 0.000 0.963 125 R HN 0.589 nan 8.270 nan 0.000 0.426 126 I N 1.875 122.443 120.570 -0.003 0.000 2.163 126 I HA -0.155 4.029 4.170 0.024 0.000 0.243 126 I C 1.154 177.274 176.117 0.006 0.000 1.085 126 I CA 1.631 62.933 61.300 0.003 0.000 1.347 126 I CB -0.679 37.326 38.000 0.007 0.000 1.044 126 I HN 0.419 nan 8.210 nan 0.000 0.408 127 V N -3.177 116.753 119.914 0.028 0.000 3.001 127 V HA 0.513 4.648 4.120 0.024 0.000 0.314 127 V C 0.319 176.403 176.094 -0.018 0.000 1.099 127 V CA -0.832 61.445 62.300 -0.038 0.000 0.989 127 V CB 1.791 33.639 31.823 0.043 0.000 1.040 127 V HN 0.410 nan 8.190 nan 0.000 0.434 128 H N 0.326 119.453 119.070 0.094 0.000 2.862 128 H HA -0.198 4.372 4.556 0.024 0.000 0.290 128 H C 1.467 176.836 175.328 0.069 0.000 1.211 128 H CA 0.900 56.997 56.048 0.082 0.000 1.140 128 H CB -1.419 28.379 29.762 0.061 0.000 1.341 128 H HN 1.187 nan 8.280 nan 0.000 0.392 129 A N 0.470 123.337 122.820 0.078 0.000 2.067 129 A HA -0.067 4.268 4.320 0.024 0.000 0.219 129 A C 1.717 179.378 177.584 0.127 0.000 1.158 129 A CA 1.162 53.254 52.037 0.090 0.000 0.661 129 A CB -0.028 19.003 19.000 0.051 0.000 0.801 129 A HN 0.242 nan 8.150 nan 0.000 0.452 130 R N 0.171 120.753 120.500 0.136 0.000 2.196 130 R HA 0.514 4.869 4.340 0.024 0.000 0.340 130 R C -0.089 176.341 176.300 0.216 0.000 1.043 130 R CA 0.752 56.956 56.100 0.173 0.000 0.883 130 R CB 0.250 30.641 30.300 0.151 0.000 1.078 130 R HN 0.312 nan 8.270 nan 0.000 0.462 131 G N 0.706 109.657 108.800 0.251 0.000 2.646 131 G HA2 0.517 4.491 3.960 0.024 0.000 0.291 131 G HA3 0.517 4.491 3.960 0.024 0.000 0.291 131 G C -1.619 173.439 174.900 0.263 0.000 1.445 131 G CA -0.611 44.609 45.100 0.201 0.000 0.814 131 G HN 0.470 nan 8.290 nan 0.000 0.495 132 S N -1.097 114.707 115.700 0.173 0.000 2.547 132 S HA 0.882 5.366 4.470 0.024 0.000 0.281 132 S C -0.196 174.415 174.600 0.018 0.000 1.118 132 S CA -0.107 58.242 58.200 0.248 0.000 0.947 132 S CB 1.711 65.168 63.200 0.429 0.000 1.053 132 S HN 1.610 nan 8.310 nan 0.000 0.482 133 A N 1.549 124.324 122.820 -0.075 0.000 2.527 133 A HA 1.037 5.372 4.320 0.024 0.000 0.293 133 A C -0.958 176.421 177.584 -0.341 0.000 1.117 133 A CA -0.722 51.065 52.037 -0.417 0.000 0.723 133 A CB 1.613 20.172 19.000 -0.734 0.000 1.313 133 A HN 1.356 nan 8.150 nan 0.000 0.411 134 A N 0.353 122.819 122.820 -0.591 0.000 2.606 134 A HA 0.735 5.070 4.320 0.024 0.000 0.293 134 A C -1.160 176.221 177.584 -0.339 0.000 1.082 134 A CA -0.634 51.212 52.037 -0.319 0.000 0.685 134 A CB 0.825 19.731 19.000 -0.156 0.000 1.284 134 A HN 0.872 nan 8.150 nan 0.000 0.408 135 H N -0.255 118.825 119.070 0.017 0.000 2.481 135 H HA 0.664 5.235 4.556 0.024 0.000 0.339 135 H C 0.556 175.878 175.328 -0.009 0.000 1.131 135 H CA 0.803 56.922 56.048 0.118 0.000 1.301 135 H CB 1.865 31.704 29.762 0.129 0.000 1.476 135 H HN 1.102 nan 8.280 nan 0.000 0.529 136 G N 1.124 110.017 108.800 0.156 0.000 2.578 136 G HA2 0.369 4.343 3.960 0.024 0.000 0.302 136 G HA3 0.369 4.343 3.960 0.024 0.000 0.302 136 G C -2.034 172.993 174.900 0.212 0.000 1.243 136 G CA -0.644 44.512 45.100 0.093 0.000 0.843 136 G HN 0.594 nan 8.290 nan 0.000 0.486 137 Y N -1.662 118.667 120.300 0.049 0.000 2.571 137 Y HA 0.838 5.402 4.550 0.024 0.000 0.341 137 Y C -1.739 174.287 175.900 0.210 0.000 1.076 137 Y CA -2.311 55.863 58.100 0.123 0.000 1.029 137 Y CB 1.643 40.153 38.460 0.082 0.000 1.308 137 Y HN 0.765 nan 8.280 nan 0.000 0.461 138 F N 2.216 122.283 119.950 0.195 0.000 2.561 138 F HA 0.754 5.295 4.527 0.024 0.000 0.321 138 F C -1.147 174.832 175.800 0.299 0.000 1.065 138 F CA -0.648 57.477 58.000 0.209 0.000 0.934 138 F CB 2.338 41.583 39.000 0.409 0.000 1.215 138 F HN 0.804 nan 8.300 nan 0.000 0.471 139 Q N 5.892 125.139 119.800 -0.922 0.000 2.352 139 Q HA 0.432 4.787 4.340 0.024 0.000 0.270 139 Q C -3.031 172.363 176.000 -1.010 0.000 1.006 139 Q CA -2.192 53.233 55.803 -0.630 0.000 0.880 139 Q CB 3.049 31.695 28.738 -0.153 0.000 1.392 139 Q HN 0.349 nan 8.270 nan 0.000 0.401 140 P HA 0.087 nan 4.420 nan 0.000 0.278 140 P C -0.358 176.801 177.300 -0.235 0.000 1.238 140 P CA -0.112 62.738 63.100 -0.417 0.000 0.794 140 P CB 0.634 32.263 31.700 -0.118 0.000 0.955 141 Y N 1.206 121.448 120.300 -0.096 0.000 2.263 141 Y HA -0.041 4.523 4.550 0.024 0.000 0.292 141 Y C 1.497 177.371 175.900 -0.042 0.000 1.130 141 Y CA 1.160 59.225 58.100 -0.058 0.000 1.179 141 Y CB -0.312 38.121 38.460 -0.046 0.000 0.998 141 Y HN 0.414 nan 8.280 nan 0.000 0.532 142 K N -2.003 118.461 120.400 0.107 0.000 2.555 142 K HA 0.468 4.803 4.320 0.024 0.000 0.279 142 K C -0.597 176.008 176.600 0.010 0.000 0.986 142 K CA -0.874 55.444 56.287 0.052 0.000 0.880 142 K CB 1.651 34.182 32.500 0.052 0.000 1.474 142 K HN -0.254 nan 8.250 nan 0.000 0.433 143 S N 1.083 116.786 115.700 0.005 0.000 2.546 143 S HA 0.113 4.597 4.470 0.024 0.000 0.290 143 S C 0.356 174.945 174.600 -0.019 0.000 1.290 143 S CA -0.523 57.670 58.200 -0.010 0.000 1.069 143 S CB -0.235 62.963 63.200 -0.004 0.000 0.846 143 S HN 0.550 nan 8.310 nan 0.000 0.495 144 L N 4.883 126.083 121.223 -0.037 0.000 2.928 144 L HA 0.188 4.542 4.340 0.024 0.000 0.246 144 L C 1.768 178.620 176.870 -0.030 0.000 1.239 144 L CA -0.213 54.610 54.840 -0.028 0.000 1.035 144 L CB -0.117 41.925 42.059 -0.028 0.000 1.360 144 L HN 0.607 nan 8.230 nan 0.000 0.529 145 S N 0.160 115.842 115.700 -0.030 0.000 2.419 145 S HA -0.168 4.316 4.470 0.024 0.000 0.235 145 S C 1.330 175.913 174.600 -0.029 0.000 1.019 145 S CA 1.292 59.473 58.200 -0.032 0.000 0.982 145 S CB -0.079 63.107 63.200 -0.023 0.000 0.789 145 S HN 0.502 nan 8.310 nan 0.000 0.490 146 D N 1.370 121.758 120.400 -0.020 0.000 2.263 146 D HA -0.046 4.609 4.640 0.024 0.000 0.208 146 D C 1.647 177.932 176.300 -0.026 0.000 0.971 146 D CA 0.886 54.875 54.000 -0.019 0.000 0.867 146 D CB -0.122 40.672 40.800 -0.010 0.000 0.929 146 D HN 0.646 nan 8.370 nan 0.000 0.492 147 I N -4.393 116.162 120.570 -0.025 0.000 4.323 147 I HA 0.234 4.418 4.170 0.024 0.000 0.328 147 I C 0.371 176.450 176.117 -0.063 0.000 1.310 147 I CA -0.046 61.232 61.300 -0.037 0.000 1.186 147 I CB 1.156 39.154 38.000 -0.003 0.000 1.130 147 I HN -0.251 nan 8.210 nan 0.000 0.411 148 T N 1.711 116.228 114.554 -0.062 0.000 3.097 148 T HA 0.279 4.643 4.350 0.024 0.000 0.332 148 T C -0.142 174.504 174.700 -0.090 0.000 1.269 148 T CA -0.683 61.361 62.100 -0.093 0.000 1.076 148 T CB 1.690 70.494 68.868 -0.106 0.000 1.209 148 T HN 0.437 nan 8.240 nan 0.000 0.474 149 K N 2.666 123.011 120.400 -0.092 0.000 2.417 149 K HA 0.583 4.917 4.320 0.024 0.000 0.196 149 K C 0.746 177.302 176.600 -0.072 0.000 1.023 149 K CA -0.279 55.965 56.287 -0.072 0.000 1.122 149 K CB 0.243 32.707 32.500 -0.060 0.000 0.850 149 K HN 0.507 nan 8.250 nan 0.000 0.521 150 A N 2.065 124.817 122.820 -0.114 0.000 2.545 150 A HA -0.058 4.276 4.320 0.024 0.000 0.253 150 A C 0.577 178.115 177.584 -0.076 0.000 1.074 150 A CA 0.082 52.059 52.037 -0.101 0.000 0.760 150 A CB 0.072 18.931 19.000 -0.235 0.000 1.005 150 A HN 0.450 nan 8.150 nan 0.000 0.506 151 D N 2.252 122.682 120.400 0.050 0.000 2.123 151 D HA -0.251 4.403 4.640 0.024 0.000 0.196 151 D C 1.387 177.763 176.300 0.127 0.000 0.992 151 D CA 2.460 56.511 54.000 0.084 0.000 0.833 151 D CB -0.250 40.625 40.800 0.125 0.000 0.954 151 D HN 0.738 nan 8.370 nan 0.000 0.455 152 F N -0.434 119.540 119.950 0.039 0.000 2.494 152 F HA 0.116 4.657 4.527 0.025 0.000 0.298 152 F C 1.169 177.061 175.800 0.154 0.000 1.106 152 F CA 0.563 58.629 58.000 0.110 0.000 1.452 152 F CB -0.453 38.608 39.000 0.103 0.000 1.085 152 F HN -0.014 nan 8.300 nan 0.000 0.569 153 L N 0.695 121.648 121.223 -0.450 0.000 2.818 153 L HA 0.202 4.556 4.340 0.024 0.000 0.243 153 L C 1.851 178.636 176.870 -0.142 0.000 1.185 153 L CA 0.465 55.092 54.840 -0.356 0.000 0.988 153 L CB -0.185 41.531 42.059 -0.573 0.000 1.292 153 L HN 0.361 nan 8.230 nan 0.000 0.519 154 S N -2.685 112.975 115.700 -0.066 0.000 2.503 154 S HA 0.072 4.557 4.470 0.024 0.000 0.215 154 S C 0.425 175.024 174.600 -0.001 0.000 1.003 154 S CA -0.189 57.993 58.200 -0.030 0.000 0.910 154 S CB 0.383 63.578 63.200 -0.008 0.000 0.790 154 S HN 0.320 nan 8.310 nan 0.000 0.514 155 D N 0.552 120.962 120.400 0.017 0.000 2.977 155 D HA 0.305 4.959 4.640 0.024 0.000 0.220 155 D C -2.546 173.772 176.300 0.029 0.000 1.267 155 D CA -1.667 52.348 54.000 0.025 0.000 0.884 155 D CB 2.335 43.157 40.800 0.036 0.000 1.667 155 D HN -0.168 nan 8.370 nan 0.000 0.536 156 P HA -0.070 nan 4.420 nan 0.000 0.220 156 P C 0.651 177.970 177.300 0.031 0.000 1.148 156 P CA 0.789 63.903 63.100 0.023 0.000 0.803 156 P CB 0.511 32.234 31.700 0.039 0.000 0.782 157 N N -0.460 118.263 118.700 0.039 0.000 2.412 157 N HA -0.019 4.736 4.740 0.024 0.000 0.184 157 N C 0.730 176.274 175.510 0.057 0.000 1.101 157 N CA 0.389 53.464 53.050 0.042 0.000 0.881 157 N CB -0.094 38.414 38.487 0.035 0.000 0.969 157 N HN 0.266 nan 8.380 nan 0.000 0.459 158 K N 1.648 122.092 120.400 0.073 0.000 2.316 158 K HA 0.197 4.531 4.320 0.024 0.000 0.289 158 K C -0.448 176.244 176.600 0.153 0.000 1.070 158 K CA -0.156 56.198 56.287 0.110 0.000 0.928 158 K CB 0.512 33.090 32.500 0.130 0.000 1.039 158 K HN -0.100 nan 8.250 nan 0.000 0.480 159 I N 3.533 124.197 120.570 0.156 0.000 2.392 159 I HA 0.173 4.358 4.170 0.024 0.000 0.295 159 I C 0.030 176.316 176.117 0.282 0.000 0.985 159 I CA -0.484 60.943 61.300 0.212 0.000 1.221 159 I CB 1.787 39.866 38.000 0.131 0.000 1.366 159 I HN 0.547 nan 8.210 nan 0.000 0.467 160 T N 7.241 122.044 114.554 0.415 0.000 2.791 160 T HA 0.361 4.725 4.350 0.024 0.000 0.288 160 T C -2.472 172.476 174.700 0.413 0.000 0.999 160 T CA -1.336 61.025 62.100 0.435 0.000 0.952 160 T CB 1.775 71.004 68.868 0.601 0.000 0.938 160 T HN 0.280 nan 8.240 nan 0.000 0.444 161 P HA 0.247 nan 4.420 nan 0.000 0.269 161 P C -0.605 176.925 177.300 0.384 0.000 1.209 161 P CA -0.384 62.904 63.100 0.314 0.000 0.776 161 P CB 0.554 32.367 31.700 0.188 0.000 0.876 162 V N -0.233 119.852 119.914 0.285 0.000 3.102 162 V HA 0.731 4.866 4.120 0.024 0.000 0.312 162 V C -1.331 174.919 176.094 0.261 0.000 1.135 162 V CA -0.932 61.437 62.300 0.114 0.000 1.022 162 V CB 2.274 33.941 31.823 -0.260 0.000 1.056 162 V HN 0.306 nan 8.190 nan 0.000 0.436 163 F N 1.667 121.582 119.950 -0.058 0.000 2.536 163 F HA 0.835 5.377 4.527 0.024 0.000 0.322 163 F C -0.850 174.834 175.800 -0.194 0.000 1.144 163 F CA -0.752 57.161 58.000 -0.145 0.000 0.924 163 F CB 1.888 40.813 39.000 -0.125 0.000 1.181 163 F HN 0.521 nan 8.300 nan 0.000 0.438 164 V N 6.460 125.933 119.914 -0.736 0.000 2.555 164 V HA 0.596 4.731 4.120 0.024 0.000 0.302 164 V C -0.676 174.770 176.094 -1.080 0.000 1.038 164 V CA -0.873 60.917 62.300 -0.849 0.000 0.887 164 V CB 2.018 33.275 31.823 -0.943 0.000 0.991 164 V HN 0.725 nan 8.190 nan 0.000 0.434 165 R N 3.116 122.990 120.500 -1.043 0.000 2.476 165 R HA 0.606 4.960 4.340 0.024 0.000 0.305 165 R C -1.771 173.951 176.300 -0.964 0.000 0.965 165 R CA -0.429 55.159 56.100 -0.853 0.000 0.867 165 R CB 1.147 31.145 30.300 -0.504 0.000 1.176 165 R HN 0.518 nan 8.270 nan 0.000 0.447 166 F N 1.700 121.238 119.950 -0.687 0.000 2.432 166 F HA 0.543 5.084 4.527 0.024 0.000 0.329 166 F C 0.503 175.954 175.800 -0.581 0.000 1.076 166 F CA -0.099 57.370 58.000 -0.884 0.000 1.018 166 F CB 2.123 40.089 39.000 -1.724 0.000 1.201 166 F HN 0.619 nan 8.300 nan 0.000 0.489 167 S N -1.270 114.345 115.700 -0.142 0.000 2.625 167 S HA 0.665 5.150 4.470 0.024 0.000 0.271 167 S C -0.541 174.243 174.600 0.307 0.000 1.161 167 S CA -0.819 57.459 58.200 0.130 0.000 0.820 167 S CB 1.262 64.566 63.200 0.173 0.000 1.137 167 S HN 0.728 nan 8.310 nan 0.000 0.470 168 T N -1.819 112.935 114.554 0.332 0.000 2.793 168 T HA 0.485 4.850 4.350 0.024 0.000 0.299 168 T C 0.789 175.650 174.700 0.268 0.000 1.038 168 T CA -0.018 62.264 62.100 0.304 0.000 0.948 168 T CB 0.324 69.330 68.868 0.230 0.000 1.231 168 T HN 0.778 nan 8.240 nan 0.000 0.538 169 C N -0.917 118.443 119.300 0.100 0.000 2.683 169 C HA 0.306 4.781 4.460 0.024 0.000 0.491 169 C C 2.661 177.515 174.990 -0.226 0.000 1.342 169 C CA -0.084 58.767 59.018 -0.279 0.000 2.476 169 C CB -0.232 27.522 27.740 0.023 0.000 3.150 169 C HN 0.973 nan 8.230 nan 0.000 0.551 170 Q N 1.560 121.315 119.800 -0.075 0.000 2.089 170 Q HA 0.094 4.449 4.340 0.024 0.000 0.195 170 Q C 1.145 177.103 176.000 -0.070 0.000 0.963 170 Q CA 1.283 57.033 55.803 -0.088 0.000 0.834 170 Q CB -0.442 28.247 28.738 -0.082 0.000 0.906 170 Q HN 0.611 nan 8.270 nan 0.000 0.452 171 G N 0.034 108.816 108.800 -0.030 0.000 2.636 171 G HA2 0.351 4.325 3.960 0.024 0.000 0.246 171 G HA3 0.351 4.325 3.960 0.024 0.000 0.246 171 G C 0.206 175.099 174.900 -0.012 0.000 1.216 171 G CA 0.077 45.165 45.100 -0.020 0.000 0.854 171 G HN 0.343 nan 8.290 nan 0.000 0.572 172 G N -1.140 107.652 108.800 -0.014 0.000 2.653 172 G HA2 0.474 4.448 3.960 0.024 0.000 0.265 172 G HA3 0.474 4.448 3.960 0.024 0.000 0.265 172 G C 1.334 176.254 174.900 0.032 0.000 1.237 172 G CA 0.449 45.549 45.100 0.001 0.000 0.946 172 G HN 1.076 nan 8.290 nan 0.000 0.522 173 A N -0.846 122.003 122.820 0.047 0.000 2.019 173 A HA 0.141 4.475 4.320 0.024 0.000 0.219 173 A C 2.241 179.857 177.584 0.052 0.000 1.164 173 A CA 1.957 54.041 52.037 0.079 0.000 0.644 173 A CB -0.393 18.669 19.000 0.102 0.000 0.805 173 A HN 1.093 nan 8.150 nan 0.000 0.449 174 G N -0.180 108.633 108.800 0.021 0.000 3.284 174 G HA2 0.321 4.295 3.960 0.024 0.000 0.236 174 G HA3 0.321 4.295 3.960 0.024 0.000 0.236 174 G C 0.752 175.651 174.900 -0.002 0.000 1.158 174 G CA 0.668 45.768 45.100 0.000 0.000 0.774 174 G HN 0.659 nan 8.290 nan 0.000 0.545 175 S N -0.181 115.525 115.700 0.011 0.000 2.652 175 S HA 0.739 5.224 4.470 0.024 0.000 0.267 175 S C 0.415 175.027 174.600 0.020 0.000 1.201 175 S CA -0.071 58.133 58.200 0.006 0.000 0.996 175 S CB 1.506 64.711 63.200 0.008 0.000 1.054 175 S HN 0.548 nan 8.310 nan 0.000 0.561 176 A N 0.005 122.834 122.820 0.015 0.000 2.293 176 A HA 0.481 4.815 4.320 0.024 0.000 0.302 176 A C 0.539 178.145 177.584 0.037 0.000 1.119 176 A CA -0.649 51.394 52.037 0.011 0.000 0.823 176 A CB 0.068 19.056 19.000 -0.019 0.000 1.097 176 A HN 0.840 nan 8.150 nan 0.000 0.491 177 D N 0.585 120.996 120.400 0.018 0.000 2.103 177 D HA -0.071 4.583 4.640 0.024 0.000 0.199 177 D C 1.591 177.877 176.300 -0.023 0.000 0.978 177 D CA 2.262 56.284 54.000 0.036 0.000 0.829 177 D CB -0.255 40.514 40.800 -0.052 0.000 0.981 177 D HN 0.675 nan 8.370 nan 0.000 0.464 178 T N -0.040 114.420 114.554 -0.157 0.000 3.418 178 T HA 0.272 4.636 4.350 0.024 0.000 0.239 178 T C 0.869 175.571 174.700 0.004 0.000 0.905 178 T CA -0.557 61.462 62.100 -0.136 0.000 0.929 178 T CB -1.025 67.687 68.868 -0.259 0.000 1.121 178 T HN -0.067 nan 8.240 nan 0.000 0.608 179 V N -1.319 118.645 119.914 0.084 0.000 3.319 179 V HA 0.445 4.579 4.120 0.024 0.000 0.303 179 V C 0.658 176.903 176.094 0.252 0.000 1.094 179 V CA -1.420 60.978 62.300 0.163 0.000 1.106 179 V CB 0.468 32.373 31.823 0.138 0.000 1.099 179 V HN 0.552 nan 8.190 nan 0.000 0.476 180 R N 1.496 122.188 120.500 0.320 0.000 2.202 180 R HA 0.518 4.873 4.340 0.024 0.000 0.334 180 R C -1.032 175.359 176.300 0.152 0.000 1.036 180 R CA -0.105 56.140 56.100 0.242 0.000 0.878 180 R CB 0.287 30.654 30.300 0.112 0.000 1.067 180 R HN 1.077 nan 8.270 nan 0.000 0.457 181 D N 3.275 123.781 120.400 0.177 0.000 2.807 181 D HA 0.145 4.800 4.640 0.024 0.000 0.279 181 D C -0.724 175.719 176.300 0.237 0.000 1.247 181 D CA -0.611 53.493 54.000 0.174 0.000 0.749 181 D CB 1.104 42.003 40.800 0.165 0.000 1.264 181 D HN 0.228 nan 8.370 nan 0.000 0.421 182 I N 1.348 122.089 120.570 0.284 0.000 2.779 182 I HA 0.277 4.462 4.170 0.024 0.000 0.285 182 I C 0.871 177.188 176.117 0.334 0.000 1.134 182 I CA -0.099 61.383 61.300 0.303 0.000 1.398 182 I CB 0.051 38.268 38.000 0.361 0.000 1.404 182 I HN 0.260 nan 8.210 nan 0.000 0.587 183 R N 2.658 123.349 120.500 0.317 0.000 2.664 183 R HA 0.595 4.950 4.340 0.024 0.000 0.286 183 R C -0.051 176.400 176.300 0.251 0.000 0.967 183 R CA -0.801 55.492 56.100 0.322 0.000 0.933 183 R CB 1.467 31.959 30.300 0.320 0.000 1.146 183 R HN 0.812 nan 8.270 nan 0.000 0.468 184 G N 0.796 109.688 108.800 0.153 0.000 2.425 184 G HA2 0.506 4.481 3.960 0.024 0.000 0.302 184 G HA3 0.506 4.481 3.960 0.024 0.000 0.302 184 G C -1.330 173.550 174.900 -0.033 0.000 1.159 184 G CA -0.061 44.970 45.100 -0.116 0.000 0.865 184 G HN 0.338 nan 8.290 nan 0.000 0.515 185 F N 1.717 121.501 119.950 -0.277 0.000 2.941 185 F HA 0.646 5.187 4.527 0.024 0.000 0.359 185 F C -0.312 175.186 175.800 -0.505 0.000 1.231 185 F CA -1.829 55.945 58.000 -0.377 0.000 1.089 185 F CB 1.144 40.049 39.000 -0.158 0.000 1.407 185 F HN 0.676 nan 8.300 nan 0.000 0.538 186 A N 3.546 126.100 122.820 -0.443 0.000 2.318 186 A HA 0.794 5.129 4.320 0.024 0.000 0.317 186 A C -0.711 176.439 177.584 -0.723 0.000 1.159 186 A CA -0.477 51.131 52.037 -0.715 0.000 0.799 186 A CB 0.963 19.129 19.000 -1.391 0.000 1.194 186 A HN 0.555 nan 8.150 nan 0.000 0.479 187 T N 2.240 116.536 114.554 -0.431 0.000 2.809 187 T HA 0.382 4.747 4.350 0.024 0.000 0.284 187 T C -0.376 174.170 174.700 -0.256 0.000 0.992 187 T CA -0.445 61.422 62.100 -0.387 0.000 0.957 187 T CB 1.044 69.648 68.868 -0.441 0.000 0.942 187 T HN 0.625 nan 8.240 nan 0.000 0.439 188 K N 3.595 123.901 120.400 -0.155 0.000 2.281 188 K HA 0.439 4.774 4.320 0.024 0.000 0.272 188 K C -1.225 175.044 176.600 -0.551 0.000 1.048 188 K CA -0.575 55.525 56.287 -0.311 0.000 0.898 188 K CB 0.256 32.491 32.500 -0.442 0.000 1.128 188 K HN 0.372 nan 8.250 nan 0.000 0.460 189 F N 4.201 123.862 119.950 -0.481 0.000 2.391 189 F HA 0.226 4.768 4.527 0.024 0.000 0.359 189 F C -0.345 175.258 175.800 -0.328 0.000 1.122 189 F CA -0.520 57.261 58.000 -0.366 0.000 1.120 189 F CB 0.645 39.342 39.000 -0.504 0.000 1.142 189 F HN 0.429 nan 8.300 nan 0.000 0.483 190 Y N 1.816 122.166 120.300 0.084 0.000 2.632 190 Y HA 0.218 4.782 4.550 0.024 0.000 0.336 190 Y C 1.034 176.982 175.900 0.079 0.000 1.237 190 Y CA -0.829 57.303 58.100 0.053 0.000 1.595 190 Y CB -0.171 38.311 38.460 0.037 0.000 1.508 190 Y HN 0.554 nan 8.280 nan 0.000 0.480 191 T N -2.117 112.526 114.554 0.150 0.000 2.874 191 T HA 0.152 4.516 4.350 0.024 0.000 0.281 191 T C 1.027 175.813 174.700 0.143 0.000 0.994 191 T CA -0.685 61.504 62.100 0.148 0.000 1.015 191 T CB 1.056 69.979 68.868 0.092 0.000 1.028 191 T HN 0.662 nan 8.240 nan 0.000 0.523 192 E N 0.186 120.475 120.200 0.149 0.000 2.409 192 E HA -0.057 4.308 4.350 0.024 0.000 0.198 192 E C 1.083 177.744 176.600 0.102 0.000 1.024 192 E CA 0.763 57.234 56.400 0.118 0.000 0.861 192 E CB 0.126 29.894 29.700 0.114 0.000 0.788 192 E HN 0.742 nan 8.360 nan 0.000 0.521 193 E N 0.102 120.363 120.200 0.102 0.000 2.624 193 E HA 0.254 4.618 4.350 0.024 0.000 0.210 193 E C 0.124 176.763 176.600 0.065 0.000 0.997 193 E CA -0.236 56.216 56.400 0.086 0.000 0.999 193 E CB 1.289 31.042 29.700 0.090 0.000 1.040 193 E HN 0.173 nan 8.360 nan 0.000 0.469 194 G N 1.056 109.889 108.800 0.055 0.000 2.362 194 G HA2 -0.077 3.898 3.960 0.024 0.000 0.656 194 G HA3 -0.077 3.898 3.960 0.024 0.000 0.656 194 G C -1.101 173.797 174.900 -0.003 0.000 1.376 194 G CA -1.120 43.986 45.100 0.011 0.000 0.971 194 G HN -0.001 nan 8.290 nan 0.000 0.636 195 I N 0.884 121.415 120.570 -0.064 0.000 2.471 195 I HA 0.406 4.591 4.170 0.024 0.000 0.286 195 I C 0.054 176.162 176.117 -0.016 0.000 1.079 195 I CA -0.246 60.993 61.300 -0.102 0.000 1.398 195 I CB 0.688 38.559 38.000 -0.216 0.000 1.403 195 I HN 0.457 nan 8.210 nan 0.000 0.530 196 F N 6.831 126.662 119.950 -0.199 0.000 2.449 196 F HA 0.474 5.016 4.527 0.024 0.000 0.342 196 F C -0.561 175.192 175.800 -0.078 0.000 1.127 196 F CA -1.188 56.691 58.000 -0.201 0.000 0.975 196 F CB 0.836 39.567 39.000 -0.449 0.000 1.146 196 F HN 0.346 nan 8.300 nan 0.000 0.444 197 D N 6.226 126.456 120.400 -0.283 0.000 2.256 197 D HA 0.299 4.953 4.640 0.024 0.000 0.240 197 D C -1.176 174.697 176.300 -0.711 0.000 1.062 197 D CA -0.106 53.674 54.000 -0.368 0.000 0.832 197 D CB 2.159 42.940 40.800 -0.031 0.000 1.135 197 D HN 0.507 nan 8.370 nan 0.000 0.484 198 L N 3.849 124.636 121.223 -0.726 0.000 2.301 198 L HA 0.331 4.685 4.340 0.024 0.000 0.278 198 L C -1.205 175.455 176.870 -0.349 0.000 1.022 198 L CA -0.679 53.764 54.840 -0.662 0.000 0.854 198 L CB 1.246 42.865 42.059 -0.734 0.000 1.226 198 L HN 0.093 nan 8.230 nan 0.000 0.429 199 V N 6.090 125.852 119.914 -0.253 0.000 2.259 199 V HA 0.738 4.873 4.120 0.024 0.000 0.267 199 V C 0.789 176.794 176.094 -0.148 0.000 1.051 199 V CA 0.008 62.172 62.300 -0.227 0.000 0.830 199 V CB 0.223 31.913 31.823 -0.221 0.000 1.080 199 V HN 0.867 nan 8.190 nan 0.000 0.467 200 G N 3.169 111.877 108.800 -0.155 0.000 3.016 200 G HA2 0.645 4.620 3.960 0.024 0.000 0.270 200 G HA3 0.645 4.620 3.960 0.024 0.000 0.270 200 G C -0.866 174.006 174.900 -0.046 0.000 1.352 200 G CA -0.602 44.447 45.100 -0.085 0.000 1.060 200 G HN 0.467 nan 8.290 nan 0.000 0.538 201 N N -0.955 117.766 118.700 0.035 0.000 2.890 201 N HA 0.258 5.012 4.740 0.024 0.000 0.317 201 N C 0.510 176.164 175.510 0.239 0.000 1.355 201 N CA -0.741 52.380 53.050 0.120 0.000 0.803 201 N CB 1.245 39.800 38.487 0.113 0.000 1.465 201 N HN 0.527 nan 8.380 nan 0.000 0.591 202 N N -1.437 117.429 118.700 0.276 0.000 2.270 202 N HA -0.002 4.753 4.740 0.024 0.000 0.198 202 N C -0.532 175.213 175.510 0.392 0.000 1.117 202 N CA -0.062 53.211 53.050 0.371 0.000 0.845 202 N CB -0.122 38.568 38.487 0.339 0.000 0.980 202 N HN 0.534 nan 8.380 nan 0.000 0.486 203 T N -3.333 111.281 114.554 0.100 0.000 2.907 203 T HA 0.447 4.811 4.350 0.024 0.000 0.292 203 T C -2.525 171.594 174.700 -0.969 0.000 1.043 203 T CA -1.670 60.095 62.100 -0.560 0.000 1.003 203 T CB 2.994 71.404 68.868 -0.764 0.000 1.084 203 T HN -0.228 nan 8.240 nan 0.000 0.483 204 P HA 0.175 nan 4.420 nan 0.000 0.245 204 P C 0.372 177.133 177.300 -0.897 0.000 1.212 204 P CA 0.097 62.271 63.100 -1.542 0.000 0.774 204 P CB -0.056 30.567 31.700 -1.795 0.000 0.999 205 I N -4.728 115.300 120.570 -0.903 0.000 3.264 205 I HA 0.575 4.759 4.170 0.024 0.000 0.315 205 I C -1.232 174.598 176.117 -0.478 0.000 1.154 205 I CA -1.813 59.108 61.300 -0.631 0.000 0.962 205 I CB 1.190 38.763 38.000 -0.711 0.000 1.265 205 I HN -0.278 nan 8.210 nan 0.000 0.463 206 F N 0.652 120.315 119.950 -0.477 0.000 2.613 206 F HA 0.573 5.114 4.527 0.024 0.000 0.342 206 F C 0.387 175.939 175.800 -0.413 0.000 1.066 206 F CA -1.051 56.704 58.000 -0.409 0.000 1.002 206 F CB 1.486 40.374 39.000 -0.187 0.000 1.319 206 F HN 0.370 nan 8.300 nan 0.000 0.495 207 F N 1.740 120.887 119.950 -1.339 0.000 2.259 207 F HA 0.064 4.606 4.527 0.024 0.000 0.298 207 F C 0.750 176.264 175.800 -0.478 0.000 1.088 207 F CA 1.063 58.514 58.000 -0.915 0.000 1.358 207 F CB -0.324 37.734 39.000 -1.570 0.000 1.040 207 F HN 0.167 nan 8.300 nan 0.000 0.505 208 I N -3.446 117.097 120.570 -0.045 0.000 2.957 208 I HA 0.386 4.571 4.170 0.024 0.000 0.310 208 I C 0.549 176.800 176.117 0.224 0.000 1.063 208 I CA -0.809 60.569 61.300 0.131 0.000 1.033 208 I CB 1.729 39.863 38.000 0.223 0.000 1.230 208 I HN -0.174 nan 8.210 nan 0.000 0.447 209 Q N 0.204 120.138 119.800 0.223 0.000 2.324 209 Q HA 0.137 4.492 4.340 0.024 0.000 0.207 209 Q C -0.251 175.910 176.000 0.268 0.000 0.928 209 Q CA 0.641 56.615 55.803 0.285 0.000 0.890 209 Q CB 0.501 29.457 28.738 0.364 0.000 1.001 209 Q HN 0.667 nan 8.270 nan 0.000 0.517 210 D N -1.231 119.298 120.400 0.214 0.000 2.498 210 D HA 0.305 4.959 4.640 0.024 0.000 0.247 210 D C -0.033 176.385 176.300 0.197 0.000 1.070 210 D CA -0.187 53.912 54.000 0.164 0.000 0.842 210 D CB 1.899 42.772 40.800 0.122 0.000 1.361 210 D HN 0.055 nan 8.370 nan 0.000 0.484 211 A N 3.232 126.143 122.820 0.151 0.000 2.076 211 A HA -0.229 4.105 4.320 0.024 0.000 0.220 211 A C 1.766 179.461 177.584 0.184 0.000 1.160 211 A CA 1.557 53.680 52.037 0.143 0.000 0.653 211 A CB -0.720 18.310 19.000 0.050 0.000 0.801 211 A HN 0.801 nan 8.150 nan 0.000 0.455 212 H N 0.105 119.227 119.070 0.087 0.000 2.457 212 H HA -0.028 4.543 4.556 0.024 0.000 0.297 212 H C 1.615 177.014 175.328 0.118 0.000 1.092 212 H CA 1.878 57.971 56.048 0.075 0.000 1.309 212 H CB 0.105 29.890 29.762 0.038 0.000 1.382 212 H HN 0.368 nan 8.280 nan 0.000 0.535 213 K N -0.623 119.903 120.400 0.210 0.000 2.444 213 K HA -0.052 4.282 4.320 0.024 0.000 0.193 213 K C 1.400 178.132 176.600 0.220 0.000 1.024 213 K CA 0.012 56.424 56.287 0.209 0.000 1.077 213 K CB 0.030 32.701 32.500 0.285 0.000 0.833 213 K HN 0.255 nan 8.250 nan 0.000 0.517 214 F N 3.114 123.117 119.950 0.088 0.000 2.095 214 F HA -0.127 4.414 4.527 0.023 0.000 0.298 214 F C -1.064 174.743 175.800 0.012 0.000 1.104 214 F CA 1.077 59.150 58.000 0.121 0.000 1.232 214 F CB -0.795 38.267 39.000 0.102 0.000 0.987 214 F HN 0.013 nan 8.300 nan 0.000 0.475 215 P HA -0.125 nan 4.420 nan 0.000 0.217 215 P C 1.236 178.230 177.300 -0.510 0.000 1.150 215 P CA 1.754 64.624 63.100 -0.382 0.000 0.832 215 P CB -0.059 31.421 31.700 -0.367 0.000 0.787 216 D N -1.249 118.987 120.400 -0.273 0.000 2.097 216 D HA -0.157 4.497 4.640 0.024 0.000 0.195 216 D C 1.784 177.780 176.300 -0.507 0.000 0.989 216 D CA 1.036 54.904 54.000 -0.221 0.000 0.827 216 D CB -0.828 40.018 40.800 0.078 0.000 0.966 216 D HN 0.100 nan 8.370 nan 0.000 0.456 217 F N 1.951 121.480 119.950 -0.701 0.000 2.069 217 F HA -0.218 4.323 4.527 0.024 0.000 0.298 217 F C 2.260 177.678 175.800 -0.636 0.000 1.113 217 F CA 1.093 58.511 58.000 -0.970 0.000 1.214 217 F CB -0.503 38.176 39.000 -0.534 0.000 0.978 217 F HN -0.240 nan 8.300 nan 0.000 0.474 218 V N 0.404 119.910 119.914 -0.680 0.000 2.343 218 V HA -0.348 3.786 4.120 0.024 0.000 0.247 218 V C 2.412 178.280 176.094 -0.377 0.000 1.051 218 V CA 2.435 64.365 62.300 -0.617 0.000 1.036 218 V CB -1.070 30.406 31.823 -0.579 0.000 0.654 218 V HN 0.478 nan 8.190 nan 0.000 0.451 219 H N -0.223 118.607 119.070 -0.400 0.000 2.352 219 H HA -0.184 4.387 4.556 0.024 0.000 0.299 219 H C 2.341 177.503 175.328 -0.276 0.000 1.097 219 H CA 1.188 57.079 56.048 -0.263 0.000 1.311 219 H CB 0.004 29.660 29.762 -0.176 0.000 1.377 219 H HN 0.490 nan 8.280 nan 0.000 0.504 220 A N 0.394 123.021 122.820 -0.322 0.000 1.933 220 A HA -0.121 4.214 4.320 0.024 0.000 0.218 220 A C 2.539 179.963 177.584 -0.266 0.000 1.175 220 A CA 1.468 53.316 52.037 -0.316 0.000 0.628 220 A CB -0.726 17.952 19.000 -0.536 0.000 0.814 220 A HN 0.306 nan 8.150 nan 0.000 0.444 221 V N -0.204 119.433 119.914 -0.461 0.000 2.649 221 V HA -0.016 4.118 4.120 0.024 0.000 0.248 221 V C 1.024 177.086 176.094 -0.053 0.000 1.054 221 V CA 0.899 63.016 62.300 -0.306 0.000 1.073 221 V CB -0.461 31.000 31.823 -0.603 0.000 0.699 221 V HN 0.359 nan 8.190 nan 0.000 0.463 222 K N 0.856 121.179 120.400 -0.129 0.000 2.156 222 K HA 0.191 4.525 4.320 0.024 0.000 0.242 222 K C -2.237 174.305 176.600 -0.097 0.000 1.033 222 K CA -1.450 54.776 56.287 -0.102 0.000 0.878 222 K CB -0.621 31.803 32.500 -0.125 0.000 1.057 222 K HN 0.175 nan 8.250 nan 0.000 0.505 223 P HA -0.015 nan 4.420 nan 0.000 0.266 223 P C -0.542 176.674 177.300 -0.139 0.000 1.195 223 P CA 0.429 63.378 63.100 -0.251 0.000 0.768 223 P CB 0.341 31.909 31.700 -0.221 0.000 0.838 224 E N 5.303 125.456 120.200 -0.078 0.000 2.398 224 E HA -0.017 4.347 4.350 0.024 0.000 0.263 224 E C -1.261 175.394 176.600 0.091 0.000 1.046 224 E CA -1.229 55.242 56.400 0.119 0.000 0.908 224 E CB 0.142 30.039 29.700 0.328 0.000 0.963 224 E HN 0.434 nan 8.360 nan 0.000 0.431 225 P HA -0.184 nan 4.420 nan 0.000 0.222 225 P C 0.969 178.336 177.300 0.112 0.000 1.153 225 P CA 1.311 64.444 63.100 0.055 0.000 0.798 225 P CB 0.089 31.791 31.700 0.003 0.000 0.796 226 H N -0.779 118.330 119.070 0.064 0.000 2.363 226 H HA -0.067 4.504 4.556 0.024 0.000 0.301 226 H C 1.447 176.873 175.328 0.163 0.000 1.074 226 H CA 1.343 57.416 56.048 0.042 0.000 1.354 226 H CB -1.270 28.449 29.762 -0.072 0.000 1.397 226 H HN 0.316 nan 8.280 nan 0.000 0.516 227 W N -0.067 120.862 121.300 -0.618 0.000 2.714 227 W HA 0.702 5.376 4.660 0.024 0.000 0.353 227 W C 0.423 176.773 176.519 -0.281 0.000 0.999 227 W CA -1.272 55.836 57.345 -0.395 0.000 1.629 227 W CB -0.733 28.472 29.460 -0.425 0.000 1.106 227 W HN 0.388 nan 8.180 nan 0.000 0.545 228 A N 1.471 124.241 122.820 -0.084 0.000 2.519 228 A HA -0.126 4.209 4.320 0.024 0.000 0.297 228 A C -0.414 176.923 177.584 -0.412 0.000 1.472 228 A CA 1.454 53.370 52.037 -0.200 0.000 0.739 228 A CB -2.372 16.544 19.000 -0.141 0.000 1.096 228 A HN 0.470 nan 8.150 nan 0.000 0.414 229 I N 0.668 120.834 120.570 -0.672 0.000 2.769 229 I HA 0.548 4.733 4.170 0.024 0.000 0.298 229 I C -2.525 173.251 176.117 -0.569 0.000 1.128 229 I CA -2.398 58.431 61.300 -0.786 0.000 1.031 229 I CB 2.994 40.096 38.000 -1.497 0.000 1.235 229 I HN 0.212 nan 8.210 nan 0.000 0.423 230 P HA 0.317 nan 4.420 nan 0.000 0.292 230 P C -1.535 175.600 177.300 -0.275 0.000 1.300 230 P CA -0.849 62.025 63.100 -0.375 0.000 0.900 230 P CB 1.531 33.090 31.700 -0.235 0.000 1.139 231 Q N 0.953 120.637 119.800 -0.194 0.000 2.286 231 Q HA 0.482 4.836 4.340 0.024 0.000 0.257 231 Q C 1.123 177.083 176.000 -0.067 0.000 0.941 231 Q CA 1.027 56.752 55.803 -0.130 0.000 0.912 231 Q CB -0.306 28.365 28.738 -0.111 0.000 1.192 231 Q HN 0.819 nan 8.270 nan 0.000 0.410 232 G N 3.144 111.914 108.800 -0.050 0.000 2.179 232 G HA2 -0.294 3.681 3.960 0.024 0.000 0.257 232 G HA3 -0.294 3.681 3.960 0.024 0.000 0.257 232 G C -0.315 174.601 174.900 0.027 0.000 1.010 232 G CA 0.559 45.658 45.100 -0.002 0.000 0.736 232 G HN 0.545 nan 8.290 nan 0.000 0.513 233 Q N -1.022 118.783 119.800 0.008 0.000 2.359 233 Q HA 0.569 4.924 4.340 0.024 0.000 0.274 233 Q C 0.780 176.797 176.000 0.027 0.000 1.074 233 Q CA -0.116 55.720 55.803 0.055 0.000 0.810 233 Q CB 1.813 30.621 28.738 0.117 0.000 1.342 233 Q HN 0.425 nan 8.270 nan 0.000 0.427 234 S N -0.594 115.021 115.700 -0.141 0.000 2.556 234 S HA 0.218 4.702 4.470 0.024 0.000 0.216 234 S C 0.825 175.322 174.600 -0.172 0.000 0.970 234 S CA -0.085 57.795 58.200 -0.532 0.000 0.912 234 S CB 0.389 62.746 63.200 -1.406 0.000 0.790 234 S HN 0.579 nan 8.310 nan 0.000 0.504 235 A N 2.374 125.306 122.820 0.187 0.000 3.063 235 A HA 0.533 4.868 4.320 0.024 0.000 0.263 235 A C 0.082 177.884 177.584 0.363 0.000 1.736 235 A CA -0.583 51.649 52.037 0.324 0.000 1.408 235 A CB -1.205 17.933 19.000 0.229 0.000 1.108 235 A HN 0.885 nan 8.150 nan 0.000 0.621 236 H N -3.573 115.673 119.070 0.294 0.000 3.014 236 H HA 0.498 5.069 4.556 0.024 0.000 0.337 236 H C -0.365 175.155 175.328 0.319 0.000 1.320 236 H CA -0.779 55.413 56.048 0.239 0.000 1.128 236 H CB 0.325 30.188 29.762 0.168 0.000 1.862 236 H HN 0.067 nan 8.280 nan 0.000 0.536 237 D N 0.168 120.741 120.400 0.288 0.000 2.149 237 D HA -0.184 4.471 4.640 0.024 0.000 0.198 237 D C 2.063 178.435 176.300 0.120 0.000 0.990 237 D CA 2.777 56.889 54.000 0.186 0.000 0.839 237 D CB -0.246 40.639 40.800 0.140 0.000 0.948 237 D HN 0.778 nan 8.370 nan 0.000 0.460 238 T N -1.738 112.886 114.554 0.116 0.000 2.821 238 T HA -0.171 4.194 4.350 0.024 0.000 0.267 238 T C 1.889 176.537 174.700 -0.086 0.000 1.046 238 T CA 0.489 62.618 62.100 0.049 0.000 1.139 238 T CB -0.702 68.240 68.868 0.124 0.000 0.871 238 T HN 0.171 nan 8.240 nan 0.000 0.454 239 F N 0.891 120.543 119.950 -0.497 0.000 2.046 239 F HA 0.021 4.563 4.527 0.024 0.000 0.297 239 F C 1.919 177.463 175.800 -0.427 0.000 1.123 239 F CA 1.093 58.723 58.000 -0.616 0.000 1.199 239 F CB -0.588 37.862 39.000 -0.916 0.000 0.972 239 F HN 0.141 nan 8.300 nan 0.000 0.474 240 W N 0.683 121.946 121.300 -0.063 0.000 2.425 240 W HA -0.119 4.556 4.660 0.024 0.000 0.277 240 W C 2.313 178.764 176.519 -0.112 0.000 1.231 240 W CA 1.144 58.435 57.345 -0.090 0.000 1.248 240 W CB -0.670 28.813 29.460 0.038 0.000 1.117 240 W HN 0.110 nan 8.180 nan 0.000 0.568 241 D N -0.717 119.730 120.400 0.078 0.000 2.097 241 D HA -0.294 4.361 4.640 0.024 0.000 0.195 241 D C 1.880 178.186 176.300 0.010 0.000 0.989 241 D CA 1.474 55.499 54.000 0.041 0.000 0.827 241 D CB -0.497 40.335 40.800 0.054 0.000 0.966 241 D HN 0.203 nan 8.370 nan 0.000 0.456 242 Y N 0.282 120.478 120.300 -0.173 0.000 2.163 242 Y HA -0.150 4.415 4.550 0.025 0.000 0.288 242 Y C 2.248 178.015 175.900 -0.222 0.000 1.136 242 Y CA 1.341 59.325 58.100 -0.192 0.000 1.147 242 Y CB -0.411 37.902 38.460 -0.246 0.000 0.987 242 Y HN -0.118 nan 8.280 nan 0.000 0.509 243 V N 0.206 120.000 119.914 -0.200 0.000 2.287 243 V HA -0.348 3.786 4.120 0.024 0.000 0.248 243 V C 2.640 178.673 176.094 -0.100 0.000 1.053 243 V CA 2.279 64.447 62.300 -0.220 0.000 1.027 243 V CB -1.221 30.377 31.823 -0.375 0.000 0.646 243 V HN 0.674 nan 8.190 nan 0.000 0.447 244 S N -0.240 115.447 115.700 -0.021 0.000 2.419 244 S HA -0.112 4.372 4.470 0.024 0.000 0.233 244 S C 1.742 176.309 174.600 -0.054 0.000 1.016 244 S CA 1.581 59.792 58.200 0.018 0.000 0.974 244 S CB -0.470 62.767 63.200 0.062 0.000 0.786 244 S HN 0.563 nan 8.310 nan 0.000 0.492 245 L N -0.197 120.946 121.223 -0.135 0.000 2.554 245 L HA 0.314 4.668 4.340 0.024 0.000 0.225 245 L C 0.607 177.305 176.870 -0.287 0.000 1.104 245 L CA 0.166 54.899 54.840 -0.180 0.000 0.866 245 L CB 0.040 41.991 42.059 -0.180 0.000 1.047 245 L HN 0.245 nan 8.230 nan 0.000 0.468 246 Q N 0.020 119.601 119.800 -0.365 0.000 2.932 246 Q HA 0.241 4.595 4.340 0.024 0.000 0.248 246 Q C -1.965 173.805 176.000 -0.384 0.000 0.982 246 Q CA -1.523 54.021 55.803 -0.431 0.000 0.730 246 Q CB 1.534 29.898 28.738 -0.624 0.000 1.249 246 Q HN -0.035 nan 8.270 nan 0.000 0.476 247 P HA -0.227 nan 4.420 nan 0.000 0.221 247 P C 1.128 178.108 177.300 -0.532 0.000 1.145 247 P CA 1.189 64.017 63.100 -0.454 0.000 0.795 247 P CB 0.250 31.617 31.700 -0.555 0.000 0.775 248 E N 0.373 120.121 120.200 -0.753 0.000 2.219 248 E HA -0.232 4.133 4.350 0.024 0.000 0.198 248 E C 1.484 178.022 176.600 -0.103 0.000 0.998 248 E CA 2.023 58.237 56.400 -0.311 0.000 0.818 248 E CB -1.434 28.166 29.700 -0.167 0.000 0.741 248 E HN 0.307 nan 8.360 nan 0.000 0.477 249 T N -0.484 114.015 114.554 -0.092 0.000 2.995 249 T HA -0.013 4.351 4.350 0.024 0.000 0.269 249 T C 1.993 176.751 174.700 0.096 0.000 1.091 249 T CA 0.661 62.775 62.100 0.022 0.000 1.128 249 T CB -0.373 68.525 68.868 0.049 0.000 0.891 249 T HN 0.171 nan 8.240 nan 0.000 0.492 250 L N 0.012 121.292 121.223 0.096 0.000 2.131 250 L HA -0.089 4.266 4.340 0.024 0.000 0.210 250 L C 2.836 179.873 176.870 0.278 0.000 1.092 250 L CA 1.812 56.785 54.840 0.221 0.000 0.759 250 L CB -0.813 41.385 42.059 0.231 0.000 0.903 250 L HN 0.482 nan 8.230 nan 0.000 0.435 251 H N 0.106 119.220 119.070 0.075 0.000 2.293 251 H HA -0.210 4.360 4.556 0.024 0.000 0.300 251 H C 2.206 177.540 175.328 0.010 0.000 1.082 251 H CA 1.829 57.919 56.048 0.071 0.000 1.308 251 H CB 0.213 29.978 29.762 0.004 0.000 1.375 251 H HN 0.361 nan 8.280 nan 0.000 0.495 252 N N -0.164 118.371 118.700 -0.276 0.000 2.244 252 N HA -0.134 4.621 4.740 0.024 0.000 0.183 252 N C 1.956 177.312 175.510 -0.256 0.000 1.016 252 N CA 0.786 53.447 53.050 -0.650 0.000 0.866 252 N CB 0.246 37.846 38.487 -1.478 0.000 0.980 252 N HN 0.122 nan 8.380 nan 0.000 0.430 253 V N 1.672 121.646 119.914 0.100 0.000 2.332 253 V HA -0.255 3.879 4.120 0.024 0.000 0.248 253 V C 2.494 178.728 176.094 0.234 0.000 1.055 253 V CA 1.269 63.765 62.300 0.327 0.000 1.038 253 V CB -0.354 31.708 31.823 0.399 0.000 0.651 253 V HN 0.405 nan 8.190 nan 0.000 0.450 254 M N -1.694 118.078 119.600 0.287 0.000 2.080 254 M HA -0.216 4.279 4.480 0.024 0.000 0.260 254 M C 2.090 178.409 176.300 0.032 0.000 1.068 254 M CA 1.931 57.408 55.300 0.296 0.000 1.109 254 M CB -1.202 31.613 32.600 0.358 0.000 1.342 254 M HN 0.466 nan 8.290 nan 0.000 0.405 255 W N 0.458 121.509 121.300 -0.415 0.000 2.358 255 W HA -0.111 4.564 4.660 0.024 0.000 0.303 255 W C 2.777 179.242 176.519 -0.091 0.000 1.208 255 W CA 1.888 58.969 57.345 -0.440 0.000 1.274 255 W CB -0.870 28.249 29.460 -0.568 0.000 1.138 255 W HN 0.293 nan 8.180 nan 0.000 0.515 256 A N -0.712 122.207 122.820 0.164 0.000 1.930 256 A HA -0.184 4.150 4.320 0.024 0.000 0.217 256 A C 1.930 179.575 177.584 0.102 0.000 1.175 256 A CA 1.662 53.795 52.037 0.161 0.000 0.627 256 A CB -0.586 18.544 19.000 0.218 0.000 0.815 256 A HN 0.097 nan 8.150 nan 0.000 0.443 257 M N 0.713 120.330 119.600 0.028 0.000 2.419 257 M HA 0.012 4.506 4.480 0.024 0.000 0.264 257 M C 1.516 177.863 176.300 0.078 0.000 1.082 257 M CA 0.833 56.089 55.300 -0.074 0.000 1.119 257 M CB -1.432 30.887 32.600 -0.469 0.000 1.398 257 M HN 0.551 nan 8.290 nan 0.000 0.453 258 S N 0.432 116.238 115.700 0.176 0.000 2.626 258 S HA 0.060 4.545 4.470 0.024 0.000 0.257 258 S C 0.750 175.483 174.600 0.222 0.000 1.288 258 S CA -0.378 57.964 58.200 0.237 0.000 0.980 258 S CB 0.854 64.239 63.200 0.309 0.000 0.975 258 S HN 0.209 nan 8.310 nan 0.000 0.577 259 D N 0.240 120.790 120.400 0.249 0.000 2.378 259 D HA 0.011 4.665 4.640 0.024 0.000 0.222 259 D C 1.886 178.332 176.300 0.244 0.000 0.980 259 D CA 0.349 54.516 54.000 0.278 0.000 0.907 259 D CB -0.168 40.866 40.800 0.390 0.000 0.899 259 D HN 0.376 nan 8.370 nan 0.000 0.527 260 R N 0.319 120.957 120.500 0.230 0.000 2.127 260 R HA -0.059 4.296 4.340 0.024 0.000 0.238 260 R C 2.108 178.569 176.300 0.268 0.000 1.134 260 R CA 1.063 57.324 56.100 0.268 0.000 0.975 260 R CB -0.952 29.575 30.300 0.378 0.000 0.865 260 R HN 0.199 nan 8.270 nan 0.000 0.447 261 G N 1.273 110.220 108.800 0.245 0.000 2.776 261 G HA2 -0.016 3.959 3.960 0.024 0.000 0.209 261 G HA3 -0.016 3.959 3.960 0.024 0.000 0.209 261 G C 0.973 176.021 174.900 0.246 0.000 1.145 261 G CA 0.107 45.346 45.100 0.232 0.000 0.791 261 G HN 0.419 nan 8.290 nan 0.000 0.530 262 I N -2.034 118.690 120.570 0.255 0.000 2.926 262 I HA 0.350 4.534 4.170 0.024 0.000 0.295 262 I C -2.804 173.469 176.117 0.259 0.000 1.463 262 I CA -2.611 58.847 61.300 0.264 0.000 0.892 262 I CB 1.671 39.830 38.000 0.265 0.000 1.874 262 I HN -0.263 nan 8.210 nan 0.000 0.620 263 P HA 0.032 nan 4.420 nan 0.000 0.268 263 P C 0.531 177.951 177.300 0.198 0.000 1.208 263 P CA -0.095 63.104 63.100 0.164 0.000 0.777 263 P CB 1.228 32.956 31.700 0.048 0.000 0.875 264 R N 1.953 122.557 120.500 0.173 0.000 2.092 264 R HA 0.003 4.357 4.340 0.024 0.000 0.231 264 R C 0.588 177.012 176.300 0.207 0.000 1.119 264 R CA 1.583 57.841 56.100 0.263 0.000 0.970 264 R CB -0.454 29.977 30.300 0.220 0.000 0.864 264 R HN 0.616 nan 8.270 nan 0.000 0.440 265 S N -3.145 112.458 115.700 -0.162 0.000 2.587 265 S HA 0.200 4.684 4.470 0.024 0.000 0.269 265 S C -0.251 173.993 174.600 -0.594 0.000 1.154 265 S CA -0.852 57.056 58.200 -0.487 0.000 0.824 265 S CB -0.045 63.050 63.200 -0.174 0.000 1.118 265 S HN 0.067 nan 8.310 nan 0.000 0.462 266 Y N 1.694 121.620 120.300 -0.623 0.000 2.421 266 Y HA 0.131 4.696 4.550 0.024 0.000 0.292 266 Y C 2.414 177.978 175.900 -0.560 0.000 1.136 266 Y CA 1.089 58.703 58.100 -0.811 0.000 1.255 266 Y CB -0.373 37.215 38.460 -1.452 0.000 0.991 266 Y HN 0.581 nan 8.280 nan 0.000 0.552 267 R N -0.611 119.762 120.500 -0.212 0.000 2.237 267 R HA -0.045 4.309 4.340 0.024 0.000 0.219 267 R C 1.108 177.361 176.300 -0.079 0.000 1.080 267 R CA 1.510 57.534 56.100 -0.127 0.000 0.995 267 R CB -0.389 29.831 30.300 -0.134 0.000 0.875 267 R HN 0.303 nan 8.270 nan 0.000 0.462 268 T N -1.766 112.757 114.554 -0.053 0.000 3.308 268 T HA 0.369 4.733 4.350 0.024 0.000 0.270 268 T C 0.150 174.883 174.700 0.054 0.000 0.992 268 T CA -0.686 61.412 62.100 -0.003 0.000 0.931 268 T CB -0.098 68.756 68.868 -0.024 0.000 1.142 268 T HN 0.083 nan 8.240 nan 0.000 0.525 269 M N -1.361 118.315 119.600 0.126 0.000 2.593 269 M HA 0.728 5.222 4.480 0.024 0.000 0.290 269 M C -1.133 175.340 176.300 0.288 0.000 1.244 269 M CA -0.917 54.495 55.300 0.188 0.000 0.857 269 M CB 2.112 34.819 32.600 0.178 0.000 1.738 269 M HN -0.153 nan 8.290 nan 0.000 0.461 270 E N 0.234 120.604 120.200 0.283 0.000 2.342 270 E HA 0.673 5.037 4.350 0.024 0.000 0.257 270 E C -0.368 176.331 176.600 0.166 0.000 1.150 270 E CA -0.467 56.043 56.400 0.183 0.000 0.926 270 E CB 1.685 31.449 29.700 0.107 0.000 1.074 270 E HN 0.854 nan 8.360 nan 0.000 0.449 271 G N 0.654 109.354 108.800 -0.166 0.000 2.620 271 G HA2 0.609 4.583 3.960 0.024 0.000 0.301 271 G HA3 0.609 4.583 3.960 0.024 0.000 0.301 271 G C -1.555 172.929 174.900 -0.694 0.000 1.347 271 G CA -0.468 44.523 45.100 -0.181 0.000 0.971 271 G HN 0.270 nan 8.290 nan 0.000 0.488 272 F N -0.157 119.713 119.950 -0.134 0.000 2.601 272 F HA 0.534 5.076 4.527 0.024 0.000 0.309 272 F C 1.141 176.832 175.800 -0.181 0.000 1.089 272 F CA -0.450 57.401 58.000 -0.248 0.000 0.940 272 F CB 2.572 41.380 39.000 -0.319 0.000 1.273 272 F HN 0.598 nan 8.300 nan 0.000 0.450 273 G N 0.595 109.447 108.800 0.086 0.000 2.623 273 G HA2 0.142 4.117 3.960 0.024 0.000 0.214 273 G HA3 0.142 4.117 3.960 0.024 0.000 0.214 273 G C 1.138 176.085 174.900 0.079 0.000 1.138 273 G CA 0.911 46.111 45.100 0.167 0.000 0.794 273 G HN 0.781 nan 8.290 nan 0.000 0.535 274 I N -1.227 119.325 120.570 -0.031 0.000 4.724 274 I HA -0.309 3.875 4.170 0.024 0.000 0.043 274 I C 0.481 176.468 176.117 -0.217 0.000 0.628 274 I CA 1.382 62.536 61.300 -0.244 0.000 0.705 274 I CB -1.235 36.524 38.000 -0.401 0.000 0.661 274 I HN 0.247 nan 8.210 nan 0.000 0.155 275 H N 2.365 121.440 119.070 0.008 0.000 2.771 275 H HA 0.197 4.768 4.556 0.024 0.000 0.364 275 H C 0.043 175.310 175.328 -0.101 0.000 1.133 275 H CA 0.665 56.633 56.048 -0.133 0.000 1.423 275 H CB 0.203 29.721 29.762 -0.406 0.000 1.425 275 H HN 0.224 nan 8.280 nan 0.000 0.606 276 T N 3.909 118.439 114.554 -0.040 0.000 2.761 276 T HA 0.230 4.595 4.350 0.024 0.000 0.296 276 T C 0.229 174.872 174.700 -0.095 0.000 0.934 276 T CA -0.057 62.009 62.100 -0.055 0.000 1.091 276 T CB -0.212 68.574 68.868 -0.136 0.000 0.896 276 T HN 0.224 nan 8.240 nan 0.000 0.515 277 F N 1.570 121.498 119.950 -0.036 0.000 2.544 277 F HA 0.660 5.202 4.527 0.024 0.000 0.378 277 F C 1.089 176.861 175.800 -0.047 0.000 1.112 277 F CA -1.237 56.765 58.000 0.003 0.000 1.115 277 F CB 1.204 40.202 39.000 -0.002 0.000 1.436 277 F HN 0.197 nan 8.300 nan 0.000 0.496 278 R N 0.400 120.985 120.500 0.141 0.000 2.750 278 R HA 0.669 5.024 4.340 0.024 0.000 0.281 278 R C -1.646 174.550 176.300 -0.173 0.000 0.972 278 R CA -0.893 55.152 56.100 -0.092 0.000 0.912 278 R CB 2.027 32.212 30.300 -0.192 0.000 1.187 278 R HN 0.428 nan 8.270 nan 0.000 0.464 279 L N 3.204 124.275 121.223 -0.253 0.000 2.325 279 L HA 0.557 4.912 4.340 0.024 0.000 0.278 279 L C -0.516 176.204 176.870 -0.250 0.000 1.023 279 L CA -0.982 53.714 54.840 -0.240 0.000 0.811 279 L CB 1.415 43.336 42.059 -0.230 0.000 1.249 279 L HN 0.352 nan 8.230 nan 0.000 0.431 280 I N 2.606 123.050 120.570 -0.210 0.000 2.447 280 I HA 0.270 4.454 4.170 0.024 0.000 0.287 280 I C -0.283 175.749 176.117 -0.142 0.000 1.023 280 I CA -0.690 60.490 61.300 -0.200 0.000 1.083 280 I CB 1.364 39.255 38.000 -0.182 0.000 1.245 280 I HN 0.644 nan 8.210 nan 0.000 0.434 281 N N 5.041 123.670 118.700 -0.119 0.000 2.495 281 N HA 0.385 5.139 4.740 0.024 0.000 0.294 281 N C 0.867 176.336 175.510 -0.069 0.000 1.276 281 N CA -0.331 52.668 53.050 -0.085 0.000 0.973 281 N CB 0.480 38.925 38.487 -0.069 0.000 1.143 281 N HN 0.496 nan 8.380 nan 0.000 0.589 282 A N -0.869 121.920 122.820 -0.052 0.000 2.067 282 A HA -0.071 4.264 4.320 0.024 0.000 0.219 282 A C 1.377 178.940 177.584 -0.035 0.000 1.158 282 A CA 1.141 53.153 52.037 -0.042 0.000 0.661 282 A CB -0.670 18.311 19.000 -0.032 0.000 0.801 282 A HN 0.700 nan 8.150 nan 0.000 0.452 283 E N -1.271 118.909 120.200 -0.033 0.000 2.481 283 E HA 0.271 4.636 4.350 0.024 0.000 0.195 283 E C 1.296 177.885 176.600 -0.019 0.000 1.047 283 E CA 0.725 57.110 56.400 -0.024 0.000 0.867 283 E CB -0.180 29.506 29.700 -0.023 0.000 0.858 283 E HN 0.725 nan 8.360 nan 0.000 0.513 284 G N 0.952 109.738 108.800 -0.023 0.000 2.176 284 G HA2 -0.359 3.616 3.960 0.024 0.000 0.253 284 G HA3 -0.359 3.616 3.960 0.024 0.000 0.253 284 G C 0.334 175.250 174.900 0.027 0.000 0.979 284 G CA 0.250 45.355 45.100 0.007 0.000 0.641 284 G HN 0.275 nan 8.290 nan 0.000 0.530 285 K N 0.927 121.308 120.400 -0.032 0.000 2.368 285 K HA 0.608 4.942 4.320 0.024 0.000 0.282 285 K C 0.586 177.055 176.600 -0.219 0.000 1.035 285 K CA 0.307 56.547 56.287 -0.078 0.000 0.973 285 K CB 0.439 32.891 32.500 -0.080 0.000 0.957 285 K HN 0.572 nan 8.250 nan 0.000 0.474 286 A N 3.386 125.971 122.820 -0.392 0.000 2.305 286 A HA 0.414 4.748 4.320 0.024 0.000 0.322 286 A C -0.762 176.509 177.584 -0.522 0.000 1.187 286 A CA -0.516 51.127 52.037 -0.657 0.000 0.825 286 A CB 1.244 19.402 19.000 -1.404 0.000 1.164 286 A HN 0.695 nan 8.150 nan 0.000 0.498 287 T N 2.537 116.829 114.554 -0.437 0.000 2.824 287 T HA 0.519 4.883 4.350 0.024 0.000 0.282 287 T C -0.642 173.873 174.700 -0.309 0.000 0.993 287 T CA -0.063 61.842 62.100 -0.325 0.000 0.967 287 T CB 0.305 69.065 68.868 -0.179 0.000 0.960 287 T HN 0.344 nan 8.240 nan 0.000 0.441 288 F N 2.320 122.180 119.950 -0.151 0.000 2.471 288 F HA 0.488 5.029 4.527 0.024 0.000 0.353 288 F C 0.574 176.262 175.800 -0.187 0.000 1.113 288 F CA -0.362 57.547 58.000 -0.152 0.000 1.262 288 F CB 0.621 39.554 39.000 -0.111 0.000 1.146 288 F HN 0.172 nan 8.300 nan 0.000 0.578 289 V N 4.963 124.845 119.914 -0.054 0.000 2.888 289 V HA 0.582 4.716 4.120 0.024 0.000 0.309 289 V C -0.941 174.949 176.094 -0.341 0.000 1.114 289 V CA -0.800 61.323 62.300 -0.296 0.000 0.940 289 V CB 2.101 33.526 31.823 -0.663 0.000 1.021 289 V HN 0.753 nan 8.190 nan 0.000 0.426 290 R N 4.739 125.090 120.500 -0.248 0.000 2.514 290 R HA 0.551 4.905 4.340 0.024 0.000 0.301 290 R C -1.590 174.646 176.300 -0.106 0.000 0.962 290 R CA -0.455 55.552 56.100 -0.155 0.000 0.882 290 R CB 1.937 32.252 30.300 0.025 0.000 1.143 290 R HN 0.580 nan 8.270 nan 0.000 0.452 291 F N 2.439 122.433 119.950 0.074 0.000 2.394 291 F HA 0.322 4.864 4.527 0.024 0.000 0.340 291 F C 0.990 176.728 175.800 -0.102 0.000 1.105 291 F CA -0.034 57.967 58.000 0.000 0.000 1.124 291 F CB 0.814 39.707 39.000 -0.178 0.000 1.145 291 F HN 0.216 nan 8.300 nan 0.000 0.505 292 H N 1.322 120.397 119.070 0.009 0.000 2.690 292 H HA 0.278 4.849 4.556 0.024 0.000 0.368 292 H C -1.483 173.625 175.328 -0.366 0.000 1.150 292 H CA -0.961 54.979 56.048 -0.181 0.000 1.174 292 H CB 1.995 31.747 29.762 -0.016 0.000 1.684 292 H HN 0.670 nan 8.280 nan 0.000 0.538 293 W N 2.269 123.457 121.300 -0.186 0.000 2.538 293 W HA 0.307 4.982 4.660 0.024 0.000 0.322 293 W C -0.152 176.399 176.519 0.054 0.000 1.028 293 W CA -0.743 56.563 57.345 -0.065 0.000 1.228 293 W CB 1.764 31.059 29.460 -0.274 0.000 1.356 293 W HN 0.249 nan 8.180 nan 0.000 0.452 294 K N 5.513 126.182 120.400 0.447 0.000 2.185 294 K HA 0.401 4.736 4.320 0.024 0.000 0.269 294 K C -2.400 174.426 176.600 0.376 0.000 0.987 294 K CA -1.875 54.612 56.287 0.334 0.000 0.865 294 K CB 1.496 34.145 32.500 0.249 0.000 1.090 294 K HN 0.039 nan 8.250 nan 0.000 0.450 295 P HA 0.061 nan 4.420 nan 0.000 0.276 295 P C 0.373 177.684 177.300 0.018 0.000 1.253 295 P CA -0.057 63.110 63.100 0.111 0.000 0.766 295 P CB 0.703 32.480 31.700 0.128 0.000 0.845 296 L N 2.687 123.866 121.223 -0.074 0.000 2.465 296 L HA -0.081 4.274 4.340 0.024 0.000 0.224 296 L C 2.201 179.050 176.870 -0.034 0.000 1.145 296 L CA 1.094 55.922 54.840 -0.019 0.000 0.834 296 L CB -0.528 41.530 42.059 -0.002 0.000 0.944 296 L HN 0.353 nan 8.230 nan 0.000 0.451 297 A N -0.169 122.603 122.820 -0.079 0.000 2.208 297 A HA 0.411 4.745 4.320 0.024 0.000 0.209 297 A C 1.230 178.809 177.584 -0.007 0.000 1.161 297 A CA 0.699 52.707 52.037 -0.049 0.000 0.782 297 A CB -0.261 18.690 19.000 -0.082 0.000 0.816 297 A HN 0.439 nan 8.150 nan 0.000 0.477 298 G N -0.748 108.060 108.800 0.013 0.000 2.707 298 G HA2 -0.103 3.871 3.960 0.024 0.000 0.686 298 G HA3 -0.103 3.871 3.960 0.024 0.000 0.686 298 G C -0.670 174.254 174.900 0.040 0.000 1.315 298 G CA -0.479 44.648 45.100 0.044 0.000 0.832 298 G HN 0.427 nan 8.290 nan 0.000 0.573 299 K N 0.097 120.526 120.400 0.047 0.000 2.205 299 K HA 0.698 5.033 4.320 0.024 0.000 0.279 299 K C 0.250 176.832 176.600 -0.029 0.000 1.027 299 K CA 0.321 56.619 56.287 0.018 0.000 0.932 299 K CB 1.603 34.101 32.500 -0.002 0.000 1.032 299 K HN 1.567 nan 8.250 nan 0.000 0.466 300 A N 1.754 124.547 122.820 -0.046 0.000 2.532 300 A HA 0.491 4.826 4.320 0.024 0.000 0.296 300 A C -1.161 176.457 177.584 0.057 0.000 1.058 300 A CA -0.696 51.274 52.037 -0.112 0.000 0.729 300 A CB 1.516 20.299 19.000 -0.362 0.000 1.285 300 A HN 0.509 nan 8.150 nan 0.000 0.396 301 S N 0.766 116.656 115.700 0.318 0.000 2.671 301 S HA 0.792 5.276 4.470 0.024 0.000 0.299 301 S C 0.061 174.978 174.600 0.529 0.000 1.116 301 S CA -0.630 57.799 58.200 0.381 0.000 0.912 301 S CB 1.191 64.601 63.200 0.351 0.000 1.130 301 S HN 0.654 nan 8.310 nan 0.000 0.501 302 L N 1.195 122.623 121.223 0.341 0.000 2.543 302 L HA 0.547 4.901 4.340 0.024 0.000 0.231 302 L C -0.016 176.970 176.870 0.193 0.000 1.194 302 L CA -0.792 54.178 54.840 0.216 0.000 0.823 302 L CB 0.152 42.256 42.059 0.075 0.000 1.374 302 L HN 0.480 nan 8.230 nan 0.000 0.507 303 V N -3.141 116.782 119.914 0.016 0.000 2.732 303 V HA 0.170 4.304 4.120 0.024 0.000 0.310 303 V C 0.686 176.722 176.094 -0.098 0.000 1.053 303 V CA -0.808 61.464 62.300 -0.047 0.000 0.957 303 V CB 1.557 33.321 31.823 -0.098 0.000 1.018 303 V HN 0.929 nan 8.190 nan 0.000 0.452 304 W N 2.168 123.330 121.300 -0.230 0.000 2.318 304 W HA -0.251 4.424 4.660 0.024 0.000 0.313 304 W C 1.752 178.115 176.519 -0.261 0.000 1.221 304 W CA 2.640 59.849 57.345 -0.227 0.000 1.266 304 W CB -0.081 29.230 29.460 -0.247 0.000 1.150 304 W HN 1.000 nan 8.180 nan 0.000 0.496 305 D N 0.116 120.250 120.400 -0.444 0.000 2.144 305 D HA -0.277 4.377 4.640 0.024 0.000 0.199 305 D C 2.160 178.084 176.300 -0.626 0.000 0.984 305 D CA 2.058 55.739 54.000 -0.531 0.000 0.834 305 D CB -0.461 40.271 40.800 -0.114 0.000 0.955 305 D HN 0.382 nan 8.370 nan 0.000 0.465 306 E N -0.324 119.376 120.200 -0.834 0.000 2.051 306 E HA -0.212 4.152 4.350 0.024 0.000 0.192 306 E C 2.016 178.272 176.600 -0.574 0.000 0.991 306 E CA 1.104 56.967 56.400 -0.896 0.000 0.799 306 E CB -0.222 28.872 29.700 -1.009 0.000 0.748 306 E HN 0.301 nan 8.360 nan 0.000 0.449 307 A N 1.129 123.639 122.820 -0.516 0.000 1.877 307 A HA -0.263 4.072 4.320 0.024 0.000 0.216 307 A C 2.187 179.442 177.584 -0.548 0.000 1.186 307 A CA 1.823 53.607 52.037 -0.422 0.000 0.620 307 A CB -0.717 18.155 19.000 -0.214 0.000 0.822 307 A HN 0.454 nan 8.150 nan 0.000 0.443 308 Q N -0.346 118.897 119.800 -0.930 0.000 2.079 308 Q HA -0.176 4.178 4.340 0.024 0.000 0.200 308 Q C 1.941 177.658 176.000 -0.472 0.000 0.974 308 Q CA 1.715 57.008 55.803 -0.850 0.000 0.840 308 Q CB -0.098 27.841 28.738 -1.330 0.000 0.898 308 Q HN 0.690 nan 8.270 nan 0.000 0.430 309 K N 0.019 120.168 120.400 -0.419 0.000 2.148 309 K HA -0.134 4.201 4.320 0.024 0.000 0.204 309 K C 1.978 178.435 176.600 -0.239 0.000 1.050 309 K CA 0.681 56.814 56.287 -0.257 0.000 0.942 309 K CB -0.053 32.340 32.500 -0.178 0.000 0.724 309 K HN 0.146 nan 8.250 nan 0.000 0.446 310 L N 1.567 122.605 121.223 -0.309 0.000 2.201 310 L HA -0.134 4.221 4.340 0.024 0.000 0.212 310 L C 2.333 179.062 176.870 -0.236 0.000 1.105 310 L CA 1.874 56.526 54.840 -0.314 0.000 0.775 310 L CB -0.929 40.853 42.059 -0.461 0.000 0.913 310 L HN 0.310 nan 8.230 nan 0.000 0.440 311 T N -4.401 110.020 114.554 -0.220 0.000 2.833 311 T HA -0.091 4.273 4.350 0.024 0.000 0.269 311 T C 1.879 176.513 174.700 -0.110 0.000 1.054 311 T CA 1.079 63.092 62.100 -0.145 0.000 1.135 311 T CB -0.956 67.839 68.868 -0.120 0.000 0.869 311 T HN 0.360 nan 8.240 nan 0.000 0.466 312 G N 1.041 109.769 108.800 -0.120 0.000 2.411 312 G HA2 0.001 3.975 3.960 0.024 0.000 0.213 312 G HA3 0.001 3.975 3.960 0.024 0.000 0.213 312 G C 1.935 176.789 174.900 -0.076 0.000 1.166 312 G CA -0.206 44.842 45.100 -0.087 0.000 0.802 312 G HN 0.342 nan 8.290 nan 0.000 0.533 313 R N 0.112 120.556 120.500 -0.093 0.000 2.119 313 R HA 0.063 4.417 4.340 0.024 0.000 0.222 313 R C -0.167 176.103 176.300 -0.050 0.000 1.088 313 R CA 0.706 56.764 56.100 -0.069 0.000 0.984 313 R CB -0.043 30.209 30.300 -0.080 0.000 0.884 313 R HN 0.291 nan 8.270 nan 0.000 0.447 314 D N -0.122 120.241 120.400 -0.061 0.000 2.411 314 D HA 0.135 4.790 4.640 0.024 0.000 0.239 314 D C -2.066 174.231 176.300 -0.005 0.000 1.307 314 D CA -1.792 52.204 54.000 -0.006 0.000 0.930 314 D CB 1.367 42.208 40.800 0.068 0.000 1.395 314 D HN -0.130 nan 8.370 nan 0.000 0.536 315 P HA -0.011 nan 4.420 nan 0.000 0.228 315 P C 0.043 177.346 177.300 0.004 0.000 1.151 315 P CA 0.642 63.729 63.100 -0.023 0.000 0.770 315 P CB 0.523 32.207 31.700 -0.026 0.000 0.786 316 D N -1.368 119.046 120.400 0.025 0.000 2.525 316 D HA 0.072 4.726 4.640 0.024 0.000 0.229 316 D C 1.075 177.412 176.300 0.061 0.000 1.202 316 D CA -0.458 53.563 54.000 0.034 0.000 0.828 316 D CB -0.458 40.343 40.800 0.002 0.000 1.008 316 D HN 0.066 nan 8.370 nan 0.000 0.493 317 F N 1.332 121.216 119.950 -0.110 0.000 2.102 317 F HA -0.180 4.361 4.527 0.024 0.000 0.298 317 F C 2.029 177.790 175.800 -0.064 0.000 1.105 317 F CA 1.830 59.759 58.000 -0.119 0.000 1.239 317 F CB -0.057 38.821 39.000 -0.203 0.000 0.991 317 F HN 0.120 nan 8.300 nan 0.000 0.474 318 H N -1.208 117.788 119.070 -0.123 0.000 2.395 318 H HA -0.080 4.490 4.556 0.024 0.000 0.299 318 H C 2.408 177.637 175.328 -0.164 0.000 1.070 318 H CA 0.985 56.817 56.048 -0.359 0.000 1.356 318 H CB -0.130 29.228 29.762 -0.673 0.000 1.401 318 H HN 0.162 nan 8.280 nan 0.000 0.524 319 R N 1.288 121.878 120.500 0.149 0.000 2.083 319 R HA -0.147 4.207 4.340 0.024 0.000 0.237 319 R C 2.453 178.853 176.300 0.168 0.000 1.137 319 R CA 1.480 57.720 56.100 0.234 0.000 0.951 319 R CB -0.054 30.375 30.300 0.215 0.000 0.851 319 R HN 0.204 nan 8.270 nan 0.000 0.434 320 R N 0.290 120.815 120.500 0.043 0.000 2.066 320 R HA -0.136 4.218 4.340 0.024 0.000 0.232 320 R C 2.173 178.471 176.300 -0.003 0.000 1.131 320 R CA 1.628 57.736 56.100 0.014 0.000 0.955 320 R CB -0.227 30.043 30.300 -0.050 0.000 0.851 320 R HN 0.268 nan 8.270 nan 0.000 0.432 321 E N 0.653 120.745 120.200 -0.181 0.000 2.085 321 E HA -0.209 4.156 4.350 0.024 0.000 0.194 321 E C 1.985 178.556 176.600 -0.048 0.000 0.994 321 E CA 1.112 57.381 56.400 -0.219 0.000 0.801 321 E CB -0.079 29.320 29.700 -0.500 0.000 0.743 321 E HN 0.235 nan 8.360 nan 0.000 0.453 322 L N 0.833 122.075 121.223 0.031 0.000 1.994 322 L HA -0.161 4.194 4.340 0.024 0.000 0.208 322 L C 2.205 179.175 176.870 0.167 0.000 1.071 322 L CA 1.858 56.764 54.840 0.110 0.000 0.745 322 L CB -1.025 41.163 42.059 0.214 0.000 0.892 322 L HN 0.320 nan 8.230 nan 0.000 0.431 323 W N 0.981 122.316 121.300 0.058 0.000 2.333 323 W HA -0.227 4.447 4.660 0.024 0.000 0.316 323 W C 2.224 178.774 176.519 0.051 0.000 1.215 323 W CA 2.259 59.649 57.345 0.076 0.000 1.278 323 W CB -0.179 29.331 29.460 0.083 0.000 1.154 323 W HN 0.357 nan 8.180 nan 0.000 0.486 324 E N -0.025 120.350 120.200 0.290 0.000 2.208 324 E HA -0.109 4.255 4.350 0.024 0.000 0.193 324 E C 2.312 178.940 176.600 0.047 0.000 0.988 324 E CA 0.900 57.390 56.400 0.151 0.000 0.828 324 E CB -0.327 29.414 29.700 0.069 0.000 0.763 324 E HN 0.195 nan 8.360 nan 0.000 0.478 325 A N 1.390 124.237 122.820 0.044 0.000 1.877 325 A HA -0.173 4.162 4.320 0.024 0.000 0.216 325 A C 2.174 179.789 177.584 0.051 0.000 1.186 325 A CA 1.064 53.121 52.037 0.033 0.000 0.620 325 A CB -0.539 18.483 19.000 0.036 0.000 0.822 325 A HN 0.126 nan 8.150 nan 0.000 0.443 326 I N -0.308 120.313 120.570 0.084 0.000 2.226 326 I HA -0.250 3.934 4.170 0.024 0.000 0.245 326 I C 2.429 178.616 176.117 0.118 0.000 1.100 326 I CA 1.471 62.870 61.300 0.166 0.000 1.374 326 I CB -0.391 37.644 38.000 0.058 0.000 1.057 326 I HN 0.411 nan 8.210 nan 0.000 0.413 327 E N 0.742 120.960 120.200 0.030 0.000 2.204 327 E HA -0.187 4.177 4.350 0.024 0.000 0.195 327 E C 2.138 178.758 176.600 0.032 0.000 0.990 327 E CA 1.206 57.635 56.400 0.048 0.000 0.821 327 E CB -0.101 29.656 29.700 0.095 0.000 0.750 327 E HN 0.528 nan 8.360 nan 0.000 0.477 328 A N 0.023 122.841 122.820 -0.004 0.000 2.169 328 A HA 0.230 4.564 4.320 0.024 0.000 0.212 328 A C 1.785 179.311 177.584 -0.097 0.000 1.153 328 A CA 0.939 52.960 52.037 -0.026 0.000 0.756 328 A CB -0.032 18.951 19.000 -0.028 0.000 0.813 328 A HN 0.332 nan 8.150 nan 0.000 0.471 329 G N -0.410 108.245 108.800 -0.241 0.000 2.176 329 G HA2 -0.198 3.776 3.960 0.024 0.000 0.253 329 G HA3 -0.198 3.776 3.960 0.024 0.000 0.253 329 G C -0.195 174.241 174.900 -0.775 0.000 0.979 329 G CA 0.219 44.891 45.100 -0.714 0.000 0.641 329 G HN 0.464 nan 8.290 nan 0.000 0.530 330 D N 1.456 121.656 120.400 -0.333 0.000 2.801 330 D HA 0.303 4.957 4.640 0.024 0.000 0.232 330 D C 0.535 176.792 176.300 -0.071 0.000 1.128 330 D CA -0.191 53.706 54.000 -0.173 0.000 1.003 330 D CB -0.485 40.307 40.800 -0.013 0.000 1.110 330 D HN 0.187 nan 8.370 nan 0.000 0.477 331 F N 1.463 121.416 119.950 0.005 0.000 2.602 331 F HA 0.112 4.654 4.527 0.024 0.000 0.385 331 F C -1.503 174.271 175.800 -0.044 0.000 1.063 331 F CA -2.355 55.641 58.000 -0.008 0.000 1.233 331 F CB -0.603 38.403 39.000 0.010 0.000 1.067 331 F HN -0.020 nan 8.300 nan 0.000 0.564 332 P HA 0.083 nan 4.420 nan 0.000 0.267 332 P C -0.767 176.469 177.300 -0.106 0.000 1.209 332 P CA 0.161 63.242 63.100 -0.032 0.000 0.763 332 P CB 0.472 32.228 31.700 0.093 0.000 0.816 333 E N 2.333 122.338 120.200 -0.326 0.000 2.222 333 E HA 0.456 4.821 4.350 0.024 0.000 0.267 333 E C -1.070 175.252 176.600 -0.464 0.000 0.884 333 E CA -0.574 55.689 56.400 -0.228 0.000 0.764 333 E CB 1.463 31.123 29.700 -0.067 0.000 1.169 333 E HN 0.379 nan 8.360 nan 0.000 0.413 334 Y N 0.274 120.631 120.300 0.097 0.000 2.492 334 Y HA 0.241 4.806 4.550 0.024 0.000 0.346 334 Y C -0.245 175.876 175.900 0.369 0.000 0.997 334 Y CA -0.989 57.241 58.100 0.216 0.000 1.025 334 Y CB 1.939 40.487 38.460 0.147 0.000 1.263 334 Y HN 0.465 nan 8.280 nan 0.000 0.454 335 E N 2.731 123.256 120.200 0.541 0.000 2.146 335 E HA 0.410 4.774 4.350 0.024 0.000 0.282 335 E C -1.480 175.428 176.600 0.515 0.000 0.989 335 E CA -0.942 55.739 56.400 0.468 0.000 0.799 335 E CB 0.972 30.880 29.700 0.346 0.000 1.088 335 E HN 0.590 nan 8.360 nan 0.000 0.397 336 L N 4.449 125.918 121.223 0.409 0.000 2.367 336 L HA 0.506 4.860 4.340 0.024 0.000 0.275 336 L C -0.063 176.781 176.870 -0.044 0.000 1.129 336 L CA 0.603 55.417 54.840 -0.043 0.000 0.839 336 L CB 0.986 42.968 42.059 -0.129 0.000 1.133 336 L HN 0.592 nan 8.230 nan 0.000 0.453 337 G N 3.820 112.608 108.800 -0.021 0.000 2.620 337 G HA2 0.609 4.584 3.960 0.024 0.000 0.301 337 G HA3 0.609 4.584 3.960 0.024 0.000 0.301 337 G C -1.715 173.337 174.900 0.252 0.000 1.347 337 G CA -0.426 44.684 45.100 0.017 0.000 0.971 337 G HN 0.276 nan 8.290 nan 0.000 0.488 338 F N 0.100 120.061 119.950 0.019 0.000 2.482 338 F HA 0.497 5.038 4.527 0.024 0.000 0.331 338 F C 0.446 176.225 175.800 -0.034 0.000 1.115 338 F CA -1.457 56.545 58.000 0.003 0.000 0.955 338 F CB 2.276 41.263 39.000 -0.022 0.000 1.136 338 F HN 0.264 nan 8.300 nan 0.000 0.452 339 Q N 2.932 122.828 119.800 0.161 0.000 2.303 339 Q HA 0.475 4.829 4.340 0.024 0.000 0.257 339 Q C -1.308 174.724 176.000 0.053 0.000 0.941 339 Q CA -0.804 55.045 55.803 0.075 0.000 0.931 339 Q CB 1.808 30.596 28.738 0.082 0.000 1.215 339 Q HN 0.320 nan 8.270 nan 0.000 0.437 340 L N 4.439 125.703 121.223 0.068 0.000 2.313 340 L HA 0.541 4.895 4.340 0.024 0.000 0.283 340 L C -0.599 176.323 176.870 0.086 0.000 1.013 340 L CA -0.260 54.614 54.840 0.057 0.000 0.816 340 L CB 1.462 43.565 42.059 0.074 0.000 1.236 340 L HN 0.585 nan 8.230 nan 0.000 0.419 341 I N 5.414 126.053 120.570 0.115 0.000 2.466 341 I HA 0.364 4.548 4.170 0.024 0.000 0.289 341 I C -2.217 174.017 176.117 0.194 0.000 1.026 341 I CA -1.924 59.485 61.300 0.182 0.000 1.078 341 I CB 2.471 40.596 38.000 0.209 0.000 1.249 341 I HN 0.356 nan 8.210 nan 0.000 0.429 342 P HA 0.040 nan 4.420 nan 0.000 0.269 342 P C 0.560 177.933 177.300 0.121 0.000 1.215 342 P CA -0.020 63.122 63.100 0.070 0.000 0.780 342 P CB 0.891 32.622 31.700 0.052 0.000 0.898 343 E N 1.813 121.996 120.200 -0.028 0.000 2.118 343 E HA -0.252 4.113 4.350 0.024 0.000 0.195 343 E C 1.280 177.963 176.600 0.139 0.000 0.992 343 E CA 1.380 57.750 56.400 -0.050 0.000 0.804 343 E CB 0.040 29.639 29.700 -0.169 0.000 0.741 343 E HN 0.598 nan 8.360 nan 0.000 0.458 344 E N -0.384 119.872 120.200 0.093 0.000 2.516 344 E HA -0.113 4.251 4.350 0.024 0.000 0.199 344 E C 0.428 177.094 176.600 0.109 0.000 1.069 344 E CA 0.762 57.227 56.400 0.109 0.000 0.876 344 E CB 0.220 29.963 29.700 0.072 0.000 0.843 344 E HN 0.136 nan 8.360 nan 0.000 0.530 345 D N 0.905 121.373 120.400 0.114 0.000 2.402 345 D HA -0.009 4.645 4.640 0.024 0.000 0.216 345 D C 1.064 177.395 176.300 0.050 0.000 1.128 345 D CA 0.003 54.041 54.000 0.064 0.000 0.833 345 D CB 0.240 41.088 40.800 0.080 0.000 0.971 345 D HN 0.362 nan 8.370 nan 0.000 0.503 346 E N -0.223 119.977 120.200 0.001 0.000 2.130 346 E HA -0.193 4.172 4.350 0.024 0.000 0.196 346 E C 0.388 176.692 176.600 -0.493 0.000 0.998 346 E CA 1.121 57.312 56.400 -0.348 0.000 0.806 346 E CB 0.047 29.373 29.700 -0.623 0.000 0.738 346 E HN 0.188 nan 8.360 nan 0.000 0.459 347 F N -0.111 119.845 119.950 0.011 0.000 2.668 347 F HA 0.266 4.808 4.527 0.024 0.000 0.297 347 F C 1.164 176.894 175.800 -0.116 0.000 1.124 347 F CA -0.107 57.874 58.000 -0.033 0.000 1.353 347 F CB 0.607 39.597 39.000 -0.017 0.000 0.992 347 F HN -0.163 nan 8.300 nan 0.000 0.524 348 K N -0.044 120.270 120.400 -0.143 0.000 2.404 348 K HA 0.156 4.490 4.320 0.024 0.000 0.194 348 K C -0.194 175.993 176.600 -0.688 0.000 1.023 348 K CA 0.272 56.315 56.287 -0.406 0.000 1.094 348 K CB 0.203 32.384 32.500 -0.532 0.000 0.841 348 K HN 0.169 nan 8.250 nan 0.000 0.523 349 F N 0.372 120.161 119.950 -0.267 0.000 2.457 349 F HA 0.164 4.705 4.527 0.024 0.000 0.330 349 F C 1.388 176.980 175.800 -0.347 0.000 1.069 349 F CA -0.934 56.797 58.000 -0.448 0.000 1.009 349 F CB 0.660 38.995 39.000 -1.108 0.000 1.276 349 F HN -0.200 nan 8.300 nan 0.000 0.492 350 D N 0.261 120.634 120.400 -0.046 0.000 2.348 350 D HA -0.013 4.641 4.640 0.024 0.000 0.216 350 D C -0.149 176.212 176.300 0.102 0.000 0.970 350 D CA 0.988 55.029 54.000 0.069 0.000 0.889 350 D CB -0.184 40.739 40.800 0.204 0.000 0.912 350 D HN 0.247 nan 8.370 nan 0.000 0.524 351 F N -0.697 119.334 119.950 0.136 0.000 2.575 351 F HA 0.587 5.129 4.527 0.024 0.000 0.330 351 F C -0.156 175.623 175.800 -0.034 0.000 1.056 351 F CA -1.662 56.335 58.000 -0.005 0.000 0.964 351 F CB 0.751 39.714 39.000 -0.062 0.000 1.258 351 F HN -0.440 nan 8.300 nan 0.000 0.484 352 D N 1.552 121.955 120.400 0.005 0.000 2.277 352 D HA 0.288 4.942 4.640 0.024 0.000 0.249 352 D C 1.059 177.292 176.300 -0.112 0.000 1.134 352 D CA -0.092 53.855 54.000 -0.089 0.000 0.863 352 D CB 1.359 42.115 40.800 -0.074 0.000 1.143 352 D HN 0.666 nan 8.370 nan 0.000 0.458 353 L N 2.834 123.943 121.223 -0.189 0.000 2.265 353 L HA -0.124 4.230 4.340 0.024 0.000 0.215 353 L C 1.740 178.482 176.870 -0.214 0.000 1.117 353 L CA 0.760 55.464 54.840 -0.225 0.000 0.782 353 L CB -0.166 41.614 42.059 -0.465 0.000 0.914 353 L HN 0.481 nan 8.230 nan 0.000 0.441 354 L N -1.026 120.095 121.223 -0.170 0.000 2.591 354 L HA 0.067 4.422 4.340 0.024 0.000 0.228 354 L C 0.409 177.230 176.870 -0.083 0.000 1.133 354 L CA -0.142 54.671 54.840 -0.046 0.000 0.880 354 L CB -0.232 41.916 42.059 0.149 0.000 1.033 354 L HN 0.085 nan 8.230 nan 0.000 0.450 355 D N 1.859 121.975 120.400 -0.473 0.000 2.347 355 D HA 0.112 4.767 4.640 0.024 0.000 0.235 355 D C -1.514 174.594 176.300 -0.319 0.000 1.149 355 D CA -2.261 51.266 54.000 -0.789 0.000 0.850 355 D CB 1.557 41.608 40.800 -1.249 0.000 1.061 355 D HN -0.059 nan 8.370 nan 0.000 0.487 356 P HA -0.047 nan 4.420 nan 0.000 0.242 356 P C 0.772 177.985 177.300 -0.145 0.000 1.197 356 P CA 0.579 63.621 63.100 -0.098 0.000 0.765 356 P CB 0.012 31.740 31.700 0.047 0.000 0.936 357 T N -4.161 110.301 114.554 -0.152 0.000 3.144 357 T HA 0.164 4.529 4.350 0.024 0.000 0.249 357 T C 0.691 175.302 174.700 -0.147 0.000 1.089 357 T CA -0.146 61.869 62.100 -0.142 0.000 0.989 357 T CB -0.193 68.638 68.868 -0.061 0.000 0.992 357 T HN -0.114 nan 8.240 nan 0.000 0.540 358 K N 2.079 122.309 120.400 -0.284 0.000 2.292 358 K HA 0.546 4.880 4.320 0.024 0.000 0.257 358 K C -0.386 176.033 176.600 -0.301 0.000 0.940 358 K CA -0.838 55.178 56.287 -0.453 0.000 0.811 358 K CB 2.378 34.474 32.500 -0.674 0.000 1.120 358 K HN 0.278 nan 8.250 nan 0.000 0.428 359 L N -0.220 120.976 121.223 -0.044 0.000 2.416 359 L HA 0.625 4.980 4.340 0.024 0.000 0.262 359 L C -0.003 176.639 176.870 -0.380 0.000 1.093 359 L CA -0.365 54.370 54.840 -0.177 0.000 0.801 359 L CB 0.266 42.300 42.059 -0.042 0.000 1.191 359 L HN 0.456 nan 8.230 nan 0.000 0.459 360 I N 1.646 122.094 120.570 -0.204 0.000 2.330 360 I HA 0.361 4.546 4.170 0.024 0.000 0.286 360 I C -2.129 173.985 176.117 -0.004 0.000 1.025 360 I CA -1.749 59.477 61.300 -0.123 0.000 1.197 360 I CB 1.191 39.166 38.000 -0.041 0.000 1.358 360 I HN 0.461 nan 8.210 nan 0.000 0.467 361 P HA 0.049 nan 4.420 nan 0.000 0.267 361 P C 0.337 177.695 177.300 0.097 0.000 1.205 361 P CA 0.051 63.187 63.100 0.061 0.000 0.765 361 P CB 0.611 32.342 31.700 0.051 0.000 0.828 362 E N 1.860 122.125 120.200 0.109 0.000 2.265 362 E HA -0.195 4.170 4.350 0.024 0.000 0.196 362 E C 1.302 177.951 176.600 0.083 0.000 0.996 362 E CA 0.839 57.293 56.400 0.090 0.000 0.832 362 E CB 0.005 29.760 29.700 0.091 0.000 0.756 362 E HN 0.526 nan 8.360 nan 0.000 0.491 363 E N 0.355 120.606 120.200 0.085 0.000 2.204 363 E HA -0.127 4.237 4.350 0.024 0.000 0.194 363 E C 2.066 178.727 176.600 0.103 0.000 0.989 363 E CA 0.679 57.127 56.400 0.080 0.000 0.824 363 E CB 0.097 29.838 29.700 0.068 0.000 0.756 363 E HN 0.382 nan 8.360 nan 0.000 0.477 364 L N -0.287 121.018 121.223 0.138 0.000 2.168 364 L HA 0.064 4.418 4.340 0.024 0.000 0.203 364 L C 0.685 177.670 176.870 0.191 0.000 1.078 364 L CA 0.492 55.452 54.840 0.200 0.000 0.780 364 L CB 0.392 42.640 42.059 0.315 0.000 0.939 364 L HN -0.195 nan 8.230 nan 0.000 0.451 365 V N 1.523 121.524 119.914 0.145 0.000 2.462 365 V HA 0.310 4.444 4.120 0.024 0.000 0.288 365 V C -2.365 173.770 176.094 0.068 0.000 1.020 365 V CA -1.376 60.995 62.300 0.118 0.000 0.857 365 V CB 1.675 33.562 31.823 0.107 0.000 1.013 365 V HN -0.028 nan 8.190 nan 0.000 0.431 366 P HA 0.198 nan 4.420 nan 0.000 0.272 366 P C -0.349 176.944 177.300 -0.012 0.000 1.230 366 P CA -0.050 63.065 63.100 0.026 0.000 0.788 366 P CB 1.288 33.009 31.700 0.035 0.000 0.949 367 V N 3.162 123.038 119.914 -0.063 0.000 2.432 367 V HA 0.084 4.218 4.120 0.024 0.000 0.271 367 V C 0.838 176.917 176.094 -0.025 0.000 1.046 367 V CA 0.014 62.240 62.300 -0.123 0.000 0.945 367 V CB 0.082 31.742 31.823 -0.271 0.000 0.992 367 V HN 0.468 nan 8.190 nan 0.000 0.471 368 Q N 4.699 124.506 119.800 0.013 0.000 2.279 368 Q HA 0.366 4.720 4.340 0.024 0.000 0.256 368 Q C -0.104 175.894 176.000 -0.002 0.000 0.937 368 Q CA -0.439 55.376 55.803 0.020 0.000 0.933 368 Q CB 1.306 30.068 28.738 0.039 0.000 1.189 368 Q HN 0.593 nan 8.270 nan 0.000 0.417 369 R N 1.448 121.973 120.500 0.041 0.000 2.522 369 R HA 0.015 4.370 4.340 0.024 0.000 0.284 369 R C 0.375 176.719 176.300 0.073 0.000 1.032 369 R CA -0.042 56.127 56.100 0.116 0.000 1.049 369 R CB 0.541 30.969 30.300 0.212 0.000 0.956 369 R HN 0.462 nan 8.270 nan 0.000 0.422 370 V N 1.293 121.166 119.914 -0.069 0.000 3.219 370 V HA 0.301 4.436 4.120 0.024 0.000 0.240 370 V C 0.743 176.587 176.094 -0.417 0.000 1.222 370 V CA 1.047 63.184 62.300 -0.273 0.000 1.181 370 V CB 1.080 32.480 31.823 -0.705 0.000 0.941 370 V HN 1.009 nan 8.190 nan 0.000 0.471 371 G N -0.318 108.130 108.800 -0.586 0.000 2.495 371 G HA2 0.514 4.489 3.960 0.024 0.000 0.294 371 G HA3 0.514 4.489 3.960 0.024 0.000 0.294 371 G C -1.853 172.708 174.900 -0.564 0.000 1.397 371 G CA -0.517 43.978 45.100 -1.009 0.000 0.790 371 G HN 0.052 nan 8.290 nan 0.000 0.486 372 K N -0.577 119.522 120.400 -0.502 0.000 2.375 372 K HA 0.761 5.096 4.320 0.024 0.000 0.249 372 K C -1.043 175.598 176.600 0.068 0.000 0.942 372 K CA -0.836 55.444 56.287 -0.013 0.000 0.806 372 K CB 2.182 34.713 32.500 0.052 0.000 1.227 372 K HN 0.563 nan 8.250 nan 0.000 0.430 373 M N 4.449 124.196 119.600 0.245 0.000 2.253 373 M HA 0.392 4.886 4.480 0.024 0.000 0.314 373 M C -1.818 174.454 176.300 -0.046 0.000 1.019 373 M CA -0.798 54.589 55.300 0.145 0.000 0.932 373 M CB 1.774 34.488 32.600 0.189 0.000 1.606 373 M HN 0.355 nan 8.290 nan 0.000 0.430 374 V N 5.877 125.611 119.914 -0.300 0.000 2.487 374 V HA 0.455 4.589 4.120 0.024 0.000 0.298 374 V C -0.984 174.982 176.094 -0.214 0.000 1.028 374 V CA -0.754 61.387 62.300 -0.265 0.000 0.860 374 V CB 1.735 33.286 31.823 -0.453 0.000 0.991 374 V HN 0.711 nan 8.190 nan 0.000 0.427 375 L N 5.788 126.965 121.223 -0.077 0.000 2.264 375 L HA 0.481 4.835 4.340 0.024 0.000 0.287 375 L C 0.731 177.497 176.870 -0.173 0.000 1.039 375 L CA 0.140 54.931 54.840 -0.081 0.000 0.829 375 L CB 0.819 42.884 42.059 0.011 0.000 1.211 375 L HN 0.800 nan 8.230 nan 0.000 0.427 376 N N 1.846 120.341 118.700 -0.342 0.000 2.197 376 N HA 0.173 4.928 4.740 0.024 0.000 0.228 376 N C 0.029 175.320 175.510 -0.365 0.000 1.212 376 N CA -0.347 52.221 53.050 -0.805 0.000 0.883 376 N CB 0.715 38.443 38.487 -1.265 0.000 1.107 376 N HN 0.418 nan 8.380 nan 0.000 0.519 377 R N 0.169 120.579 120.500 -0.150 0.000 2.535 377 R HA 0.300 4.654 4.340 0.024 0.000 0.274 377 R C -1.237 175.012 176.300 -0.086 0.000 1.090 377 R CA -0.560 55.479 56.100 -0.100 0.000 0.930 377 R CB 1.280 31.531 30.300 -0.082 0.000 1.223 377 R HN 0.047 nan 8.270 nan 0.000 0.441 378 N N 3.075 121.613 118.700 -0.269 0.000 2.381 378 N HA 0.303 5.057 4.740 0.024 0.000 0.254 378 N C -2.264 173.183 175.510 -0.106 0.000 1.264 378 N CA -1.174 51.591 53.050 -0.475 0.000 0.942 378 N CB 0.494 38.096 38.487 -1.475 0.000 1.190 378 N HN 0.344 nan 8.380 nan 0.000 0.495 379 P HA 0.114 nan 4.420 nan 0.000 0.274 379 P C 0.016 177.498 177.300 0.303 0.000 1.260 379 P CA -0.081 63.202 63.100 0.306 0.000 0.793 379 P CB 1.055 32.984 31.700 0.382 0.000 1.048 380 D N -1.104 119.450 120.400 0.258 0.000 2.201 380 D HA -0.012 4.643 4.640 0.024 0.000 0.209 380 D C 0.476 176.952 176.300 0.293 0.000 0.961 380 D CA 1.320 55.468 54.000 0.247 0.000 0.861 380 D CB 0.216 41.104 40.800 0.146 0.000 0.997 380 D HN 0.385 nan 8.370 nan 0.000 0.486 381 N N -0.194 118.672 118.700 0.277 0.000 2.410 381 N HA 0.007 4.762 4.740 0.024 0.000 0.287 381 N C -0.017 175.704 175.510 0.352 0.000 1.044 381 N CA -0.349 52.879 53.050 0.296 0.000 0.881 381 N CB 1.617 40.245 38.487 0.234 0.000 1.405 381 N HN -0.191 nan 8.380 nan 0.000 0.490 382 F N 4.568 124.669 119.950 0.251 0.000 2.102 382 F HA -0.110 4.431 4.527 0.023 0.000 0.298 382 F C 1.696 177.617 175.800 0.202 0.000 1.105 382 F CA 1.369 59.517 58.000 0.246 0.000 1.239 382 F CB -0.257 38.864 39.000 0.201 0.000 0.991 382 F HN 0.613 nan 8.300 nan 0.000 0.474 383 F N 0.885 121.102 119.950 0.446 0.000 2.069 383 F HA -0.192 4.350 4.527 0.025 0.000 0.298 383 F C 2.369 178.243 175.800 0.123 0.000 1.113 383 F CA 2.069 60.237 58.000 0.280 0.000 1.214 383 F CB -1.006 38.121 39.000 0.211 0.000 0.978 383 F HN 0.014 nan 8.300 nan 0.000 0.474 384 A N -0.414 122.554 122.820 0.246 0.000 1.902 384 A HA -0.186 4.149 4.320 0.024 0.000 0.217 384 A C 2.077 179.609 177.584 -0.086 0.000 1.181 384 A CA 2.080 54.173 52.037 0.093 0.000 0.623 384 A CB -0.720 18.377 19.000 0.163 0.000 0.818 384 A HN 0.602 nan 8.150 nan 0.000 0.443 385 E N -1.361 118.802 120.200 -0.061 0.000 2.132 385 E HA -0.025 4.339 4.350 0.024 0.000 0.193 385 E C 1.975 178.486 176.600 -0.150 0.000 0.951 385 E CA 0.729 57.030 56.400 -0.165 0.000 0.843 385 E CB -0.110 29.542 29.700 -0.080 0.000 0.807 385 E HN 0.763 nan 8.360 nan 0.000 0.467 386 N N 0.622 119.231 118.700 -0.152 0.000 2.182 386 N HA -0.177 4.578 4.740 0.024 0.000 0.186 386 N C 1.957 177.310 175.510 -0.263 0.000 1.036 386 N CA 0.875 53.783 53.050 -0.236 0.000 0.850 386 N CB 0.187 38.105 38.487 -0.950 0.000 1.010 386 N HN -0.113 nan 8.380 nan 0.000 0.432 387 E N 0.702 120.686 120.200 -0.360 0.000 2.110 387 E HA -0.150 4.214 4.350 0.024 0.000 0.193 387 E C 1.472 177.889 176.600 -0.305 0.000 0.988 387 E CA 1.444 57.695 56.400 -0.248 0.000 0.804 387 E CB 0.017 29.552 29.700 -0.276 0.000 0.745 387 E HN 0.473 nan 8.360 nan 0.000 0.458 388 Q N -0.303 119.257 119.800 -0.400 0.000 2.403 388 Q HA 0.260 4.615 4.340 0.024 0.000 0.203 388 Q C -0.032 175.858 176.000 -0.183 0.000 0.932 388 Q CA 0.155 55.782 55.803 -0.293 0.000 0.945 388 Q CB 0.510 29.072 28.738 -0.294 0.000 1.045 388 Q HN 0.215 nan 8.270 nan 0.000 0.511 389 A N 1.126 123.857 122.820 -0.148 0.000 2.498 389 A HA 0.456 4.790 4.320 0.024 0.000 0.239 389 A C -0.129 177.349 177.584 -0.177 0.000 1.068 389 A CA 0.241 52.172 52.037 -0.177 0.000 0.766 389 A CB 0.237 19.225 19.000 -0.019 0.000 1.003 389 A HN 0.276 nan 8.150 nan 0.000 0.497 390 A N 2.178 124.814 122.820 -0.307 0.000 2.357 390 A HA 0.713 5.047 4.320 0.024 0.000 0.295 390 A C -0.909 176.536 177.584 -0.232 0.000 1.121 390 A CA -0.409 51.526 52.037 -0.169 0.000 0.742 390 A CB 0.440 19.363 19.000 -0.129 0.000 1.181 390 A HN 0.640 nan 8.150 nan 0.000 0.454 391 F N 1.768 121.714 119.950 -0.007 0.000 2.492 391 F HA 0.639 5.181 4.527 0.024 0.000 0.327 391 F C 0.339 176.061 175.800 -0.131 0.000 1.079 391 F CA -0.261 57.710 58.000 -0.048 0.000 0.967 391 F CB 1.928 40.865 39.000 -0.106 0.000 1.169 391 F HN 0.650 nan 8.300 nan 0.000 0.472 392 H N 3.863 122.762 119.070 -0.284 0.000 2.966 392 H HA 0.307 4.877 4.556 0.024 0.000 0.347 392 H C -2.391 172.564 175.328 -0.622 0.000 1.048 392 H CA -2.640 52.976 56.048 -0.720 0.000 1.295 392 H CB 2.918 32.007 29.762 -1.122 0.000 1.744 392 H HN 0.217 nan 8.280 nan 0.000 0.513 393 P HA -0.013 nan 4.420 nan 0.000 0.226 393 P C 1.151 178.525 177.300 0.124 0.000 1.153 393 P CA 1.061 64.115 63.100 -0.078 0.000 0.777 393 P CB 0.118 31.771 31.700 -0.079 0.000 0.794 394 G N -1.100 107.654 108.800 -0.076 0.000 2.598 394 G HA2 -0.137 3.838 3.960 0.024 0.000 0.215 394 G HA3 -0.137 3.838 3.960 0.024 0.000 0.215 394 G C 0.418 175.298 174.900 -0.034 0.000 1.131 394 G CA -0.005 45.022 45.100 -0.121 0.000 0.785 394 G HN 0.424 nan 8.290 nan 0.000 0.539 395 H N 0.766 119.751 119.070 -0.142 0.000 3.118 395 H HA 0.349 4.919 4.556 0.024 0.000 0.266 395 H C 0.503 175.868 175.328 0.063 0.000 1.465 395 H CA -0.769 55.232 56.048 -0.079 0.000 1.460 395 H CB 0.050 29.774 29.762 -0.063 0.000 1.661 395 H HN 0.353 nan 8.280 nan 0.000 0.516 396 I N -0.063 120.561 120.570 0.089 0.000 3.100 396 I HA 0.689 4.874 4.170 0.024 0.000 0.312 396 I C -0.162 175.902 176.117 -0.088 0.000 1.063 396 I CA -1.402 59.887 61.300 -0.018 0.000 1.031 396 I CB 1.893 39.760 38.000 -0.222 0.000 1.243 396 I HN 0.139 nan 8.210 nan 0.000 0.483 397 V N -2.033 117.820 119.914 -0.102 0.000 3.102 397 V HA 0.662 4.797 4.120 0.024 0.000 0.312 397 V C -2.866 173.300 176.094 0.120 0.000 1.135 397 V CA -2.557 59.750 62.300 0.010 0.000 1.022 397 V CB 1.083 32.903 31.823 -0.005 0.000 1.056 397 V HN 0.633 nan 8.190 nan 0.000 0.436 398 P HA 0.375 nan 4.420 nan 0.000 0.263 398 P C 0.894 178.181 177.300 -0.021 0.000 1.195 398 P CA 1.870 65.026 63.100 0.093 0.000 0.762 398 P CB 0.622 32.361 31.700 0.065 0.000 0.799 399 G N 1.863 110.608 108.800 -0.091 0.000 2.231 399 G HA2 -0.147 3.828 3.960 0.024 0.000 0.206 399 G HA3 -0.147 3.828 3.960 0.024 0.000 0.206 399 G C -0.273 174.534 174.900 -0.155 0.000 0.996 399 G CA -0.457 44.570 45.100 -0.122 0.000 0.645 399 G HN 0.446 nan 8.290 nan 0.000 0.498 400 L N 0.080 121.222 121.223 -0.134 0.000 2.301 400 L HA 0.916 5.270 4.340 0.024 0.000 0.264 400 L C -0.542 176.267 176.870 -0.101 0.000 1.016 400 L CA -1.052 53.688 54.840 -0.167 0.000 0.821 400 L CB 2.114 43.994 42.059 -0.298 0.000 1.346 400 L HN 0.103 nan 8.230 nan 0.000 0.429 401 D N -0.841 119.497 120.400 -0.104 0.000 2.665 401 D HA 0.460 5.114 4.640 0.024 0.000 0.287 401 D C -1.298 174.983 176.300 -0.032 0.000 1.266 401 D CA -0.312 53.611 54.000 -0.128 0.000 0.830 401 D CB 2.000 42.795 40.800 -0.009 0.000 1.356 401 D HN 0.033 nan 8.370 nan 0.000 0.437 402 F N 0.020 120.108 119.950 0.230 0.000 2.321 402 F HA 0.566 5.107 4.527 0.024 0.000 0.318 402 F C 1.452 177.292 175.800 0.065 0.000 1.129 402 F CA -0.227 57.855 58.000 0.136 0.000 1.074 402 F CB 0.762 39.810 39.000 0.080 0.000 1.432 402 F HN 0.219 nan 8.300 nan 0.000 0.502 403 T N -3.105 111.560 114.554 0.185 0.000 2.742 403 T HA 0.345 4.709 4.350 0.024 0.000 0.282 403 T C -0.020 174.720 174.700 0.068 0.000 1.025 403 T CA -0.901 61.283 62.100 0.140 0.000 1.020 403 T CB 1.157 70.090 68.868 0.107 0.000 1.317 403 T HN 0.321 nan 8.240 nan 0.000 0.538 404 N N 1.204 119.947 118.700 0.073 0.000 2.370 404 N HA 0.065 4.820 4.740 0.024 0.000 0.198 404 N C 0.045 175.565 175.510 0.017 0.000 1.156 404 N CA 0.050 53.123 53.050 0.038 0.000 0.839 404 N CB -0.412 38.113 38.487 0.063 0.000 0.989 404 N HN 0.705 nan 8.380 nan 0.000 0.468 405 D N 2.287 122.686 120.400 -0.001 0.000 2.581 405 D HA -0.078 4.577 4.640 0.024 0.000 0.238 405 D C -1.410 174.890 176.300 -0.001 0.000 1.145 405 D CA -0.893 53.133 54.000 0.044 0.000 0.866 405 D CB 1.340 42.120 40.800 -0.035 0.000 1.151 405 D HN 0.132 nan 8.370 nan 0.000 0.500 406 P HA -0.086 nan 4.420 nan 0.000 0.229 406 P C 1.514 178.827 177.300 0.022 0.000 1.160 406 P CA 0.145 63.254 63.100 0.015 0.000 0.777 406 P CB 0.375 32.072 31.700 -0.005 0.000 0.814 407 L N -0.192 121.070 121.223 0.065 0.000 2.084 407 L HA 0.013 4.367 4.340 0.024 0.000 0.202 407 L C 2.368 179.181 176.870 -0.095 0.000 1.074 407 L CA 1.269 56.151 54.840 0.071 0.000 0.757 407 L CB -1.579 40.608 42.059 0.213 0.000 0.918 407 L HN -0.185 nan 8.230 nan 0.000 0.444 408 L N -0.404 120.593 121.223 -0.376 0.000 2.043 408 L HA -0.248 4.106 4.340 0.024 0.000 0.212 408 L C 2.456 179.102 176.870 -0.374 0.000 1.075 408 L CA 1.842 56.243 54.840 -0.731 0.000 0.752 408 L CB -0.860 40.496 42.059 -1.171 0.000 0.891 408 L HN 0.397 nan 8.230 nan 0.000 0.432 409 Q N -0.283 119.362 119.800 -0.259 0.000 2.096 409 Q HA -0.147 4.208 4.340 0.024 0.000 0.204 409 Q C 2.102 178.030 176.000 -0.119 0.000 0.982 409 Q CA 1.732 57.417 55.803 -0.196 0.000 0.850 409 Q CB -0.687 27.979 28.738 -0.119 0.000 0.901 409 Q HN 0.718 nan 8.270 nan 0.000 0.422 410 G N 0.413 109.172 108.800 -0.069 0.000 2.430 410 G HA2 -0.193 3.782 3.960 0.024 0.000 0.216 410 G HA3 -0.193 3.782 3.960 0.024 0.000 0.216 410 G C 1.509 176.432 174.900 0.038 0.000 1.146 410 G CA 0.064 45.165 45.100 0.001 0.000 0.793 410 G HN 0.232 nan 8.290 nan 0.000 0.537 411 R N -0.089 120.395 120.500 -0.028 0.000 2.105 411 R HA -0.004 4.351 4.340 0.024 0.000 0.239 411 R C 2.508 178.904 176.300 0.160 0.000 1.135 411 R CA 0.931 57.072 56.100 0.068 0.000 0.967 411 R CB -0.479 29.844 30.300 0.039 0.000 0.861 411 R HN 0.340 nan 8.270 nan 0.000 0.442 412 L N -0.479 120.764 121.223 0.034 0.000 2.081 412 L HA -0.233 4.122 4.340 0.024 0.000 0.212 412 L C 2.315 179.319 176.870 0.223 0.000 1.080 412 L CA 1.319 56.200 54.840 0.069 0.000 0.754 412 L CB -0.482 41.448 42.059 -0.216 0.000 0.893 412 L HN 0.176 nan 8.230 nan 0.000 0.433 413 F N 0.040 120.015 119.950 0.041 0.000 2.163 413 F HA -0.168 4.374 4.527 0.024 0.000 0.297 413 F C 2.799 178.620 175.800 0.035 0.000 1.094 413 F CA 1.499 59.527 58.000 0.046 0.000 1.290 413 F CB -0.211 38.794 39.000 0.009 0.000 1.017 413 F HN -0.059 nan 8.300 nan 0.000 0.483 414 S N -0.808 114.878 115.700 -0.022 0.000 2.383 414 S HA -0.195 4.289 4.470 0.024 0.000 0.227 414 S C 2.041 176.407 174.600 -0.390 0.000 1.026 414 S CA 1.349 59.409 58.200 -0.234 0.000 0.981 414 S CB -0.663 62.433 63.200 -0.174 0.000 0.818 414 S HN 0.485 nan 8.310 nan 0.000 0.472 415 Y N 1.842 121.818 120.300 -0.540 0.000 2.163 415 Y HA -0.036 4.529 4.550 0.024 0.000 0.288 415 Y C 3.039 178.591 175.900 -0.579 0.000 1.136 415 Y CA 1.583 59.261 58.100 -0.704 0.000 1.147 415 Y CB -1.283 36.419 38.460 -1.263 0.000 0.987 415 Y HN 0.214 nan 8.280 nan 0.000 0.509 416 T N -0.274 114.105 114.554 -0.291 0.000 2.684 416 T HA -0.250 4.114 4.350 0.024 0.000 0.267 416 T C 1.538 176.133 174.700 -0.175 0.000 1.036 416 T CA 1.873 63.935 62.100 -0.063 0.000 1.148 416 T CB -0.543 68.389 68.868 0.106 0.000 0.863 416 T HN 0.366 nan 8.240 nan 0.000 0.436 417 D N 0.205 120.424 120.400 -0.301 0.000 2.092 417 D HA -0.114 4.540 4.640 0.024 0.000 0.193 417 D C 2.317 178.493 176.300 -0.206 0.000 0.994 417 D CA 1.682 55.507 54.000 -0.292 0.000 0.828 417 D CB -0.517 39.969 40.800 -0.523 0.000 0.963 417 D HN 0.255 nan 8.370 nan 0.000 0.450 418 T N -1.090 113.317 114.554 -0.245 0.000 2.867 418 T HA -0.121 4.244 4.350 0.024 0.000 0.268 418 T C 1.835 176.416 174.700 -0.199 0.000 1.057 418 T CA 1.342 63.324 62.100 -0.197 0.000 1.136 418 T CB -0.154 68.576 68.868 -0.230 0.000 0.874 418 T HN 0.229 nan 8.240 nan 0.000 0.466 419 Q N -0.018 119.606 119.800 -0.294 0.000 2.172 419 Q HA -0.001 4.354 4.340 0.024 0.000 0.200 419 Q C 2.208 178.038 176.000 -0.284 0.000 0.964 419 Q CA 0.919 56.482 55.803 -0.400 0.000 0.855 419 Q CB -0.058 28.215 28.738 -0.776 0.000 0.918 419 Q HN 0.456 nan 8.270 nan 0.000 0.444 420 I N 0.796 121.279 120.570 -0.145 0.000 2.226 420 I HA -0.247 3.937 4.170 0.024 0.000 0.245 420 I C 2.518 178.655 176.117 0.034 0.000 1.100 420 I CA 1.768 63.096 61.300 0.047 0.000 1.374 420 I CB -1.630 36.427 38.000 0.095 0.000 1.057 420 I HN 0.221 nan 8.210 nan 0.000 0.413 421 S N 0.836 116.531 115.700 -0.008 0.000 2.371 421 S HA -0.169 4.316 4.470 0.024 0.000 0.224 421 S C 2.219 176.824 174.600 0.009 0.000 1.029 421 S CA 0.702 58.909 58.200 0.011 0.000 0.978 421 S CB -0.533 62.669 63.200 0.003 0.000 0.833 421 S HN 0.344 nan 8.310 nan 0.000 0.466 422 R N 0.903 121.385 120.500 -0.030 0.000 2.083 422 R HA 0.104 4.458 4.340 0.024 0.000 0.237 422 R C 1.454 177.753 176.300 -0.001 0.000 1.137 422 R CA 1.600 57.685 56.100 -0.024 0.000 0.951 422 R CB -0.314 29.947 30.300 -0.065 0.000 0.851 422 R HN 0.475 nan 8.270 nan 0.000 0.434 423 L N -0.814 120.404 121.223 -0.009 0.000 2.818 423 L HA 0.324 4.679 4.340 0.024 0.000 0.243 423 L C 0.887 177.820 176.870 0.105 0.000 1.185 423 L CA 0.298 55.154 54.840 0.028 0.000 0.988 423 L CB 1.134 43.198 42.059 0.009 0.000 1.292 423 L HN 0.594 nan 8.230 nan 0.000 0.519 424 G N -0.337 108.549 108.800 0.143 0.000 2.176 424 G HA2 -0.129 3.846 3.960 0.024 0.000 0.253 424 G HA3 -0.129 3.846 3.960 0.024 0.000 0.253 424 G C 0.425 175.499 174.900 0.291 0.000 0.979 424 G CA -0.127 45.127 45.100 0.257 0.000 0.641 424 G HN 0.767 nan 8.290 nan 0.000 0.530 425 G N -1.545 107.411 108.800 0.261 0.000 2.327 425 G HA2 0.626 4.601 3.960 0.024 0.000 0.291 425 G HA3 0.626 4.601 3.960 0.024 0.000 0.291 425 G C -2.426 172.659 174.900 0.309 0.000 1.290 425 G CA 0.426 45.669 45.100 0.238 0.000 0.857 425 G HN 0.398 nan 8.290 nan 0.000 0.520 426 P HA 0.143 nan 4.420 nan 0.000 0.255 426 P C 0.166 177.481 177.300 0.026 0.000 1.248 426 P CA 0.297 63.516 63.100 0.198 0.000 0.807 426 P CB 0.294 32.071 31.700 0.128 0.000 1.150 427 N N 0.470 119.194 118.700 0.040 0.000 2.376 427 N HA 0.086 4.840 4.740 0.024 0.000 0.249 427 N C 0.900 176.239 175.510 -0.286 0.000 1.140 427 N CA -0.218 52.729 53.050 -0.171 0.000 0.870 427 N CB -0.467 37.969 38.487 -0.086 0.000 1.124 427 N HN 0.243 nan 8.380 nan 0.000 0.505 428 F N 0.420 120.377 119.950 0.011 0.000 2.451 428 F HA -0.023 4.518 4.527 0.023 0.000 0.299 428 F C 2.186 177.944 175.800 -0.070 0.000 1.101 428 F CA 0.590 58.568 58.000 -0.036 0.000 1.436 428 F CB -0.669 38.336 39.000 0.008 0.000 1.074 428 F HN 0.162 nan 8.300 nan 0.000 0.553 429 H N 0.388 119.138 119.070 -0.533 0.000 2.546 429 H HA 0.101 4.672 4.556 0.025 0.000 0.277 429 H C 0.784 175.978 175.328 -0.223 0.000 1.004 429 H CA 1.211 57.044 56.048 -0.358 0.000 1.231 429 H CB -0.703 28.717 29.762 -0.570 0.000 1.382 429 H HN 0.514 nan 8.280 nan 0.000 0.580 430 E N 0.994 120.811 120.200 -0.637 0.000 2.474 430 E HA 0.183 4.547 4.350 0.024 0.000 0.194 430 E C 0.313 176.803 176.600 -0.182 0.000 1.041 430 E CA -0.277 55.899 56.400 -0.374 0.000 0.874 430 E CB 0.547 30.018 29.700 -0.382 0.000 0.914 430 E HN 0.408 nan 8.360 nan 0.000 0.498 431 I N 2.860 123.347 120.570 -0.139 0.000 2.598 431 I HA -0.051 4.133 4.170 0.024 0.000 0.284 431 I C -1.550 174.514 176.117 -0.088 0.000 1.140 431 I CA -1.434 59.813 61.300 -0.088 0.000 1.420 431 I CB 0.555 38.519 38.000 -0.061 0.000 1.387 431 I HN -0.183 nan 8.210 nan 0.000 0.553 432 P HA -0.266 nan 4.420 nan 0.000 0.217 432 P C 1.728 178.960 177.300 -0.114 0.000 1.162 432 P CA 1.363 64.409 63.100 -0.089 0.000 0.901 432 P CB 0.154 31.807 31.700 -0.077 0.000 0.793 433 I N -0.932 119.544 120.570 -0.156 0.000 2.454 433 I HA -0.186 3.999 4.170 0.024 0.000 0.254 433 I C 1.308 177.352 176.117 -0.122 0.000 1.156 433 I CA 1.698 62.857 61.300 -0.236 0.000 1.433 433 I CB -0.649 37.094 38.000 -0.428 0.000 1.082 433 I HN -0.100 nan 8.210 nan 0.000 0.432 434 N N 0.527 119.176 118.700 -0.085 0.000 2.422 434 N HA 0.057 4.811 4.740 0.024 0.000 0.181 434 N C 0.280 175.808 175.510 0.029 0.000 1.080 434 N CA 0.169 53.202 53.050 -0.029 0.000 0.893 434 N CB -0.028 38.463 38.487 0.006 0.000 0.973 434 N HN 0.367 nan 8.380 nan 0.000 0.456 435 R N 1.662 122.172 120.500 0.016 0.000 2.590 435 R HA 0.157 4.512 4.340 0.024 0.000 0.274 435 R C -2.141 174.217 176.300 0.097 0.000 1.061 435 R CA -1.123 54.987 56.100 0.016 0.000 1.081 435 R CB -0.057 30.233 30.300 -0.016 0.000 0.984 435 R HN 0.053 nan 8.270 nan 0.000 0.448 436 P HA 0.015 nan 4.420 nan 0.000 0.272 436 P C 0.439 177.796 177.300 0.096 0.000 1.240 436 P CA -0.109 63.062 63.100 0.119 0.000 0.791 436 P CB 0.617 32.347 31.700 0.052 0.000 0.978 437 T N -3.399 111.222 114.554 0.111 0.000 3.037 437 T HA 0.071 4.435 4.350 0.024 0.000 0.251 437 T C 1.012 175.747 174.700 0.057 0.000 1.079 437 T CA 0.041 62.165 62.100 0.040 0.000 1.067 437 T CB -1.027 67.849 68.868 0.014 0.000 0.948 437 T HN 0.605 nan 8.240 nan 0.000 0.496 438 C N 1.531 120.881 119.300 0.083 0.000 2.396 438 C HA 0.730 5.204 4.460 0.024 0.000 0.359 438 C C -2.425 172.620 174.990 0.092 0.000 1.307 438 C CA -2.400 56.668 59.018 0.083 0.000 2.392 438 C CB -0.239 27.555 27.740 0.090 0.000 2.245 438 C HN 0.169 nan 8.230 nan 0.000 0.615 439 P HA 0.298 nan 4.420 nan 0.000 0.268 439 P C -1.206 176.180 177.300 0.142 0.000 1.205 439 P CA 0.439 63.618 63.100 0.133 0.000 0.771 439 P CB 0.010 31.826 31.700 0.194 0.000 0.858 440 Y N 1.258 121.466 120.300 -0.154 0.000 2.354 440 Y HA 0.640 5.204 4.550 0.023 0.000 0.330 440 Y C -1.509 174.080 175.900 -0.519 0.000 1.011 440 Y CA -0.956 57.028 58.100 -0.193 0.000 1.099 440 Y CB 1.192 39.557 38.460 -0.159 0.000 1.179 440 Y HN 0.438 nan 8.280 nan 0.000 0.442 441 H N 4.128 123.095 119.070 -0.171 0.000 2.966 441 H HA 0.542 5.113 4.556 0.025 0.000 0.347 441 H C -1.156 174.048 175.328 -0.206 0.000 1.048 441 H CA -0.781 55.085 56.048 -0.302 0.000 1.295 441 H CB 1.500 31.125 29.762 -0.228 0.000 1.744 441 H HN 0.881 nan 8.280 nan 0.000 0.513 442 N N 0.440 119.017 118.700 -0.204 0.000 3.449 442 N HA 0.207 4.961 4.740 0.024 0.000 0.312 442 N C -1.122 174.147 175.510 -0.402 0.000 1.582 442 N CA -0.922 51.971 53.050 -0.262 0.000 0.850 442 N CB 0.685 39.179 38.487 0.012 0.000 1.822 442 N HN 0.249 nan 8.380 nan 0.000 0.577 443 F N -0.440 119.551 119.950 0.069 0.000 2.664 443 F HA 0.368 4.909 4.527 0.024 0.000 0.303 443 F C 0.495 176.339 175.800 0.073 0.000 1.092 443 F CA -0.274 57.763 58.000 0.062 0.000 1.305 443 F CB 0.069 39.102 39.000 0.055 0.000 1.054 443 F HN 0.169 nan 8.300 nan 0.000 0.565 444 Q N 1.579 121.487 119.800 0.180 0.000 2.332 444 Q HA 0.354 4.708 4.340 0.024 0.000 0.263 444 Q C 0.145 176.224 176.000 0.131 0.000 0.979 444 Q CA 0.097 55.987 55.803 0.146 0.000 0.885 444 Q CB 1.036 29.838 28.738 0.107 0.000 1.218 444 Q HN 0.096 nan 8.270 nan 0.000 0.405 445 R N 1.580 122.151 120.500 0.118 0.000 2.855 445 R HA 0.349 4.704 4.340 0.024 0.000 0.266 445 R C -0.507 175.845 176.300 0.086 0.000 1.034 445 R CA -0.634 55.528 56.100 0.102 0.000 0.944 445 R CB 1.052 31.414 30.300 0.103 0.000 1.219 445 R HN 0.711 nan 8.270 nan 0.000 0.474 446 D N -0.197 120.246 120.400 0.071 0.000 3.396 446 D HA -0.207 4.448 4.640 0.024 0.000 0.196 446 D C 0.353 176.687 176.300 0.056 0.000 1.347 446 D CA 2.061 56.094 54.000 0.055 0.000 1.106 446 D CB -1.168 39.661 40.800 0.048 0.000 0.619 446 D HN 0.899 nan 8.370 nan 0.000 0.728 447 G N -1.071 107.756 108.800 0.044 0.000 2.716 447 G HA2 0.141 4.115 3.960 0.024 0.000 0.686 447 G HA3 0.141 4.115 3.960 0.024 0.000 0.686 447 G C -0.147 174.762 174.900 0.015 0.000 1.337 447 G CA 0.132 45.257 45.100 0.042 0.000 0.829 447 G HN 0.790 nan 8.290 nan 0.000 0.599 448 M N 1.545 121.133 119.600 -0.019 0.000 2.246 448 M HA 0.378 4.872 4.480 0.024 0.000 0.327 448 M C 1.323 177.586 176.300 -0.061 0.000 1.090 448 M CA 1.455 56.669 55.300 -0.142 0.000 1.087 448 M CB -0.675 31.760 32.600 -0.276 0.000 1.587 448 M HN 1.354 nan 8.290 nan 0.000 0.444 449 H N -0.393 118.687 119.070 0.016 0.000 2.770 449 H HA -0.181 4.390 4.556 0.024 0.000 0.309 449 H C -0.422 174.900 175.328 -0.010 0.000 1.206 449 H CA 0.603 56.654 56.048 0.006 0.000 1.147 449 H CB -1.748 28.020 29.762 0.011 0.000 1.422 449 H HN 0.567 nan 8.280 nan 0.000 0.420 450 R N 1.167 121.712 120.500 0.074 0.000 2.401 450 R HA 0.137 4.491 4.340 0.024 0.000 0.299 450 R C 0.872 177.189 176.300 0.030 0.000 1.064 450 R CA -0.073 56.053 56.100 0.042 0.000 1.000 450 R CB 0.402 30.724 30.300 0.038 0.000 0.973 450 R HN 0.323 nan 8.270 nan 0.000 0.438 451 M N 2.492 122.094 119.600 0.003 0.000 2.556 451 M HA 0.240 4.734 4.480 0.024 0.000 0.264 451 M C 0.868 177.166 176.300 -0.003 0.000 1.163 451 M CA 0.864 56.161 55.300 -0.004 0.000 1.186 451 M CB -0.719 31.863 32.600 -0.029 0.000 1.321 451 M HN 0.707 nan 8.290 nan 0.000 0.485 452 G N 1.964 110.765 108.800 0.001 0.000 2.343 452 G HA2 0.390 4.365 3.960 0.024 0.000 0.254 452 G HA3 0.390 4.365 3.960 0.024 0.000 0.254 452 G C -0.370 174.528 174.900 -0.004 0.000 1.277 452 G CA -0.342 44.755 45.100 -0.005 0.000 0.909 452 G HN 0.308 nan 8.290 nan 0.000 0.502 453 I N 2.930 123.491 120.570 -0.014 0.000 2.307 453 I HA 0.100 4.284 4.170 0.024 0.000 0.287 453 I C -0.279 175.829 176.117 -0.015 0.000 1.054 453 I CA -0.524 60.772 61.300 -0.006 0.000 1.218 453 I CB 0.964 38.961 38.000 -0.004 0.000 1.398 453 I HN 0.345 nan 8.210 nan 0.000 0.475 454 D N 4.874 125.270 120.400 -0.007 0.000 2.348 454 D HA 0.084 4.739 4.640 0.024 0.000 0.253 454 D C 1.162 177.464 176.300 0.004 0.000 1.161 454 D CA 0.205 54.197 54.000 -0.012 0.000 0.876 454 D CB 1.792 42.593 40.800 0.001 0.000 1.160 454 D HN 0.564 nan 8.370 nan 0.000 0.459 455 T N -0.875 113.677 114.554 -0.003 0.000 3.040 455 T HA -0.045 4.319 4.350 0.024 0.000 0.250 455 T C 0.846 175.557 174.700 0.018 0.000 1.058 455 T CA -0.552 61.552 62.100 0.006 0.000 0.988 455 T CB 0.185 69.050 68.868 -0.004 0.000 0.993 455 T HN 0.116 nan 8.240 nan 0.000 0.519 456 N N 3.266 121.978 118.700 0.020 0.000 2.412 456 N HA 0.090 4.845 4.740 0.024 0.000 0.258 456 N C -1.692 173.860 175.510 0.070 0.000 1.236 456 N CA -1.491 51.585 53.050 0.043 0.000 0.882 456 N CB 1.413 39.927 38.487 0.045 0.000 1.066 456 N HN 0.032 nan 8.380 nan 0.000 0.465 457 P HA -0.018 nan 4.420 nan 0.000 0.218 457 P C -0.546 176.823 177.300 0.114 0.000 1.148 457 P CA 0.994 64.143 63.100 0.082 0.000 0.822 457 P CB 0.175 31.918 31.700 0.072 0.000 0.784 458 A N 0.542 123.425 122.820 0.104 0.000 2.303 458 A HA 0.397 4.732 4.320 0.024 0.000 0.317 458 A C 0.478 178.192 177.584 0.217 0.000 1.149 458 A CA -0.573 51.504 52.037 0.066 0.000 0.822 458 A CB -0.046 18.832 19.000 -0.204 0.000 1.131 458 A HN 0.297 nan 8.150 nan 0.000 0.493 459 N N -0.280 118.586 118.700 0.276 0.000 2.365 459 N HA 0.345 5.100 4.740 0.024 0.000 0.257 459 N C -0.920 174.773 175.510 0.306 0.000 1.287 459 N CA -0.362 52.915 53.050 0.379 0.000 0.882 459 N CB 0.425 39.080 38.487 0.280 0.000 1.250 459 N HN 0.663 nan 8.380 nan 0.000 0.507 460 Y N -0.755 119.435 120.300 -0.184 0.000 2.625 460 Y HA 0.725 5.289 4.550 0.024 0.000 0.338 460 Y C -1.460 173.869 175.900 -0.952 0.000 1.123 460 Y CA -1.403 56.416 58.100 -0.469 0.000 1.046 460 Y CB 0.993 39.328 38.460 -0.208 0.000 1.299 460 Y HN 0.089 nan 8.280 nan 0.000 0.464 461 E N 0.749 120.481 120.200 -0.779 0.000 2.366 461 E HA 0.633 4.997 4.350 0.024 0.000 0.278 461 E C -3.211 173.270 176.600 -0.198 0.000 0.923 461 E CA -1.961 54.070 56.400 -0.616 0.000 0.761 461 E CB 1.681 30.946 29.700 -0.724 0.000 1.231 461 E HN 0.591 nan 8.360 nan 0.000 0.443 462 P HA 0.283 nan 4.420 nan 0.000 0.275 462 P C -1.251 175.972 177.300 -0.128 0.000 1.227 462 P CA -0.413 62.608 63.100 -0.131 0.000 0.781 462 P CB 0.538 32.201 31.700 -0.062 0.000 0.906 463 N N -1.247 117.308 118.700 -0.241 0.000 2.284 463 N HA 0.350 5.104 4.740 0.024 0.000 0.289 463 N C 0.277 175.725 175.510 -0.104 0.000 1.179 463 N CA -0.762 52.147 53.050 -0.236 0.000 0.774 463 N CB 1.460 39.534 38.487 -0.690 0.000 1.548 463 N HN 0.194 nan 8.380 nan 0.000 0.473 464 S N 0.435 116.123 115.700 -0.020 0.000 2.497 464 S HA 0.005 4.490 4.470 0.024 0.000 0.218 464 S C 1.565 176.177 174.600 0.019 0.000 1.023 464 S CA -0.032 58.168 58.200 -0.001 0.000 0.913 464 S CB -0.777 62.437 63.200 0.022 0.000 0.800 464 S HN 0.711 nan 8.310 nan 0.000 0.505 465 I N -0.600 119.987 120.570 0.029 0.000 2.756 465 I HA 0.181 4.366 4.170 0.024 0.000 0.262 465 I C 1.179 177.328 176.117 0.052 0.000 1.225 465 I CA 1.323 62.653 61.300 0.050 0.000 1.472 465 I CB -0.394 37.656 38.000 0.083 0.000 1.094 465 I HN 0.200 nan 8.210 nan 0.000 0.454 466 N N 1.078 119.807 118.700 0.049 0.000 2.365 466 N HA 0.046 4.801 4.740 0.024 0.000 0.257 466 N C -0.129 175.491 175.510 0.184 0.000 1.287 466 N CA -0.072 53.047 53.050 0.116 0.000 0.882 466 N CB 0.068 38.635 38.487 0.134 0.000 1.250 466 N HN 0.175 nan 8.380 nan 0.000 0.507 467 D N 0.852 121.313 120.400 0.102 0.000 2.751 467 D HA -0.260 4.395 4.640 0.024 0.000 0.233 467 D C -0.019 176.200 176.300 -0.135 0.000 1.149 467 D CA 1.101 55.135 54.000 0.058 0.000 0.682 467 D CB -1.250 39.666 40.800 0.193 0.000 1.068 467 D HN 0.518 nan 8.370 nan 0.000 0.429 468 N N -1.789 116.842 118.700 -0.115 0.000 2.828 468 N HA -0.250 4.505 4.740 0.024 0.000 0.248 468 N C -0.787 174.630 175.510 -0.155 0.000 1.044 468 N CA 1.445 54.384 53.050 -0.184 0.000 0.851 468 N CB -1.266 37.071 38.487 -0.251 0.000 1.136 468 N HN 0.519 nan 8.380 nan 0.000 0.572 469 W N 1.081 122.427 121.300 0.078 0.000 2.381 469 W HA 0.446 5.120 4.660 0.024 0.000 0.329 469 W C -1.641 174.921 176.519 0.071 0.000 1.157 469 W CA -1.597 55.781 57.345 0.056 0.000 1.240 469 W CB 0.541 29.985 29.460 -0.027 0.000 1.199 469 W HN -0.048 nan 8.180 nan 0.000 0.579 470 P HA 0.174 nan 4.420 nan 0.000 0.274 470 P C -0.676 176.753 177.300 0.214 0.000 1.231 470 P CA -0.076 63.174 63.100 0.250 0.000 0.790 470 P CB 0.952 32.650 31.700 -0.002 0.000 0.951 471 R N 0.997 121.581 120.500 0.140 0.000 2.668 471 R HA 0.334 4.688 4.340 0.024 0.000 0.279 471 R C 0.338 176.653 176.300 0.025 0.000 0.976 471 R CA -0.833 55.227 56.100 -0.068 0.000 0.978 471 R CB 1.190 31.211 30.300 -0.466 0.000 1.133 471 R HN 0.489 nan 8.270 nan 0.000 0.484 472 E N 0.622 120.828 120.200 0.010 0.000 2.422 472 E HA 0.057 4.421 4.350 0.024 0.000 0.260 472 E C -0.526 176.086 176.600 0.020 0.000 1.108 472 E CA 0.539 56.961 56.400 0.036 0.000 0.943 472 E CB 0.675 30.390 29.700 0.025 0.000 0.961 472 E HN 0.351 nan 8.360 nan 0.000 0.443 473 T N 3.004 117.583 114.554 0.042 0.000 2.848 473 T HA 0.351 4.716 4.350 0.024 0.000 0.285 473 T C -2.421 172.297 174.700 0.031 0.000 0.995 473 T CA -1.581 60.542 62.100 0.038 0.000 0.970 473 T CB 1.454 70.357 68.868 0.060 0.000 0.976 473 T HN 0.257 nan 8.240 nan 0.000 0.441 474 P HA 0.273 nan 4.420 nan 0.000 0.271 474 P C -2.515 174.788 177.300 0.005 0.000 1.233 474 P CA -1.346 61.758 63.100 0.006 0.000 0.789 474 P CB -0.386 31.314 31.700 -0.002 0.000 0.951 475 P HA 0.364 nan 4.420 nan 0.000 0.274 475 P C -0.153 177.134 177.300 -0.023 0.000 1.237 475 P CA 0.200 63.282 63.100 -0.030 0.000 0.793 475 P CB 0.854 32.517 31.700 -0.062 0.000 0.977 476 G N 0.564 109.349 108.800 -0.025 0.000 2.495 476 G HA2 0.376 4.351 3.960 0.024 0.000 0.294 476 G HA3 0.376 4.351 3.960 0.024 0.000 0.294 476 G C -2.576 172.312 174.900 -0.021 0.000 1.397 476 G CA -0.720 44.369 45.100 -0.018 0.000 0.790 476 G HN 0.124 nan 8.290 nan 0.000 0.486 477 P HA 0.092 nan 4.420 nan 0.000 0.218 477 P C 0.008 177.302 177.300 -0.011 0.000 1.149 477 P CA 1.275 64.365 63.100 -0.017 0.000 0.817 477 P CB 0.007 31.699 31.700 -0.013 0.000 0.785 478 K N -2.646 117.754 120.400 0.000 0.000 2.527 478 K HA 0.512 4.847 4.320 0.024 0.000 0.260 478 K C -0.097 176.516 176.600 0.022 0.000 0.937 478 K CA -1.021 55.273 56.287 0.012 0.000 0.826 478 K CB 0.924 33.434 32.500 0.016 0.000 1.359 478 K HN -0.335 nan 8.250 nan 0.000 0.434 479 R N -0.543 119.977 120.500 0.033 0.000 3.758 479 R HA -0.135 4.220 4.340 0.024 0.000 0.299 479 R C 0.145 176.470 176.300 0.043 0.000 1.182 479 R CA 1.204 57.331 56.100 0.043 0.000 0.809 479 R CB -2.265 28.061 30.300 0.043 0.000 1.249 479 R HN 1.029 nan 8.270 nan 0.000 0.497 480 G N -0.947 107.874 108.800 0.035 0.000 2.491 480 G HA2 0.633 4.608 3.960 0.024 0.000 0.327 480 G HA3 0.633 4.608 3.960 0.024 0.000 0.327 480 G C 0.343 175.272 174.900 0.049 0.000 1.189 480 G CA 0.050 45.168 45.100 0.031 0.000 0.956 480 G HN 0.244 nan 8.290 nan 0.000 0.491 481 G N -1.314 107.515 108.800 0.049 0.000 2.606 481 G HA2 0.398 4.372 3.960 0.024 0.000 0.252 481 G HA3 0.398 4.372 3.960 0.024 0.000 0.252 481 G C -0.686 174.268 174.900 0.090 0.000 1.206 481 G CA -0.509 44.641 45.100 0.083 0.000 0.861 481 G HN 0.477 nan 8.290 nan 0.000 0.561 482 F N 0.266 120.222 119.950 0.010 0.000 2.427 482 F HA 0.447 4.989 4.527 0.025 0.000 0.352 482 F C 0.441 176.246 175.800 0.009 0.000 1.100 482 F CA -0.419 57.581 58.000 0.001 0.000 1.191 482 F CB 1.003 40.003 39.000 -0.001 0.000 1.128 482 F HN 0.452 nan 8.300 nan 0.000 0.533 483 E N 4.040 123.877 120.200 -0.606 0.000 2.256 483 E HA 0.331 4.695 4.350 0.024 0.000 0.268 483 E C -1.158 175.090 176.600 -0.585 0.000 0.877 483 E CA -0.802 55.383 56.400 -0.357 0.000 0.757 483 E CB 1.621 31.205 29.700 -0.192 0.000 1.183 483 E HN 0.642 nan 8.360 nan 0.000 0.418 484 S N 2.410 118.001 115.700 -0.181 0.000 2.576 484 S HA 0.016 4.500 4.470 0.024 0.000 0.276 484 S C -0.582 173.992 174.600 -0.043 0.000 1.339 484 S CA -0.367 57.809 58.200 -0.039 0.000 1.039 484 S CB 0.175 63.492 63.200 0.195 0.000 0.902 484 S HN 0.481 nan 8.310 nan 0.000 0.516 485 Y N 2.499 122.733 120.300 -0.111 0.000 2.620 485 Y HA -0.014 4.550 4.550 0.024 0.000 0.330 485 Y C 0.817 176.694 175.900 -0.038 0.000 1.186 485 Y CA 0.097 58.142 58.100 -0.091 0.000 1.467 485 Y CB 0.156 38.561 38.460 -0.092 0.000 1.262 485 Y HN 0.573 nan 8.280 nan 0.000 0.550 486 Q N 5.476 124.883 119.800 -0.655 0.000 3.159 486 Q HA -0.003 4.351 4.340 0.024 0.000 0.280 486 Q C -0.216 175.482 176.000 -0.502 0.000 1.403 486 Q CA 0.041 55.574 55.803 -0.449 0.000 0.957 486 Q CB -0.234 28.319 28.738 -0.308 0.000 1.729 486 Q HN 0.647 nan 8.270 nan 0.000 0.551 487 E N 1.769 121.770 120.200 -0.330 0.000 2.392 487 E HA 0.016 4.381 4.350 0.024 0.000 0.264 487 E C -0.357 176.215 176.600 -0.047 0.000 1.024 487 E CA -0.370 55.965 56.400 -0.110 0.000 0.903 487 E CB 0.725 30.492 29.700 0.113 0.000 0.963 487 E HN 0.276 nan 8.360 nan 0.000 0.432 488 R N 3.213 123.709 120.500 -0.006 0.000 2.389 488 R HA 0.209 4.563 4.340 0.024 0.000 0.295 488 R C -1.204 175.119 176.300 0.039 0.000 1.075 488 R CA -0.425 55.680 56.100 0.008 0.000 1.005 488 R CB 0.710 31.022 30.300 0.020 0.000 0.987 488 R HN 0.319 nan 8.270 nan 0.000 0.452 489 V N 4.253 124.183 119.914 0.027 0.000 2.459 489 V HA 0.366 4.501 4.120 0.024 0.000 0.295 489 V C -0.481 175.627 176.094 0.023 0.000 1.029 489 V CA -0.505 61.815 62.300 0.033 0.000 0.874 489 V CB 1.568 33.407 31.823 0.027 0.000 0.985 489 V HN 0.846 nan 8.190 nan 0.000 0.438 490 E N 2.287 122.502 120.200 0.026 0.000 2.313 490 E HA 0.642 5.006 4.350 0.024 0.000 0.280 490 E C -0.366 176.241 176.600 0.012 0.000 0.898 490 E CA -0.093 56.316 56.400 0.015 0.000 0.803 490 E CB 1.813 31.523 29.700 0.016 0.000 1.286 490 E HN 1.038 nan 8.360 nan 0.000 0.401 491 G N 2.509 111.311 108.800 0.004 0.000 2.321 491 G HA2 0.093 4.068 3.960 0.024 0.000 0.298 491 G HA3 0.093 4.068 3.960 0.024 0.000 0.298 491 G C -1.496 173.400 174.900 -0.007 0.000 1.385 491 G CA -0.984 44.114 45.100 -0.002 0.000 0.856 491 G HN 0.343 nan 8.290 nan 0.000 0.584 492 N N 0.140 118.832 118.700 -0.012 0.000 2.476 492 N HA 0.342 5.097 4.740 0.024 0.000 0.275 492 N C -0.146 175.352 175.510 -0.020 0.000 1.190 492 N CA -0.295 52.746 53.050 -0.015 0.000 0.977 492 N CB 1.134 39.611 38.487 -0.017 0.000 1.200 492 N HN 0.457 nan 8.380 nan 0.000 0.515 493 K N 0.942 121.330 120.400 -0.021 0.000 2.351 493 K HA 0.192 4.527 4.320 0.024 0.000 0.287 493 K C -0.361 176.219 176.600 -0.034 0.000 1.068 493 K CA -0.139 56.132 56.287 -0.027 0.000 0.998 493 K CB -0.036 32.450 32.500 -0.025 0.000 0.968 493 K HN 0.345 nan 8.250 nan 0.000 0.464 494 V N 0.260 120.149 119.914 -0.042 0.000 2.925 494 V HA 0.470 4.605 4.120 0.024 0.000 0.311 494 V C -0.607 175.447 176.094 -0.066 0.000 1.104 494 V CA -1.335 60.936 62.300 -0.049 0.000 0.954 494 V CB 2.042 33.837 31.823 -0.046 0.000 1.022 494 V HN 0.633 nan 8.190 nan 0.000 0.427 495 R N 2.333 122.790 120.500 -0.073 0.000 2.522 495 R HA 0.595 4.949 4.340 0.024 0.000 0.290 495 R C -0.525 175.724 176.300 -0.084 0.000 1.216 495 R CA -0.133 55.909 56.100 -0.096 0.000 1.250 495 R CB 0.811 31.040 30.300 -0.117 0.000 1.143 495 R HN 0.945 nan 8.270 nan 0.000 0.553 496 E N 2.022 122.170 120.200 -0.088 0.000 2.304 496 E HA 0.226 4.590 4.350 0.024 0.000 0.277 496 E C -1.245 175.288 176.600 -0.112 0.000 0.898 496 E CA -1.022 55.330 56.400 -0.080 0.000 0.764 496 E CB 1.474 31.135 29.700 -0.065 0.000 1.216 496 E HN 0.097 nan 8.360 nan 0.000 0.419 497 R N 1.879 122.317 120.500 -0.103 0.000 2.438 497 R HA 0.210 4.564 4.340 0.024 0.000 0.287 497 R C -0.504 175.686 176.300 -0.183 0.000 1.077 497 R CA 0.104 56.107 56.100 -0.163 0.000 1.034 497 R CB 1.128 31.387 30.300 -0.069 0.000 0.993 497 R HN 0.429 nan 8.270 nan 0.000 0.459 498 S N 4.933 120.427 115.700 -0.344 0.000 2.549 498 S HA 0.121 4.605 4.470 0.024 0.000 0.286 498 S C -1.479 173.107 174.600 -0.024 0.000 1.314 498 S CA -1.215 56.878 58.200 -0.178 0.000 1.062 498 S CB 0.643 63.722 63.200 -0.201 0.000 0.865 498 S HN 0.554 nan 8.310 nan 0.000 0.498 499 P HA -0.100 nan 4.420 nan 0.000 0.219 499 P C 1.522 178.878 177.300 0.094 0.000 1.146 499 P CA 1.283 64.410 63.100 0.046 0.000 0.808 499 P CB -0.246 31.469 31.700 0.025 0.000 0.779 500 S N -1.851 113.946 115.700 0.162 0.000 2.469 500 S HA -0.120 4.365 4.470 0.024 0.000 0.238 500 S C 1.489 176.245 174.600 0.260 0.000 0.998 500 S CA 0.838 59.159 58.200 0.203 0.000 0.957 500 S CB -1.439 61.909 63.200 0.247 0.000 0.764 500 S HN -0.031 nan 8.310 nan 0.000 0.514 501 F N 2.250 122.189 119.950 -0.018 0.000 2.789 501 F HA 0.380 4.922 4.527 0.024 0.000 0.300 501 F C 1.946 177.676 175.800 -0.117 0.000 1.132 501 F CA -0.723 57.261 58.000 -0.028 0.000 1.404 501 F CB -0.600 38.416 39.000 0.027 0.000 1.114 501 F HN 0.341 nan 8.300 nan 0.000 0.584 502 G N 0.720 109.516 108.800 -0.006 0.000 3.401 502 G HA2 0.119 4.093 3.960 0.024 0.000 0.251 502 G HA3 0.119 4.093 3.960 0.024 0.000 0.251 502 G C -0.105 174.387 174.900 -0.681 0.000 0.960 502 G CA 0.143 45.053 45.100 -0.318 0.000 1.900 502 G HN 0.044 nan 8.290 nan 0.000 0.645 503 E N 0.299 119.993 120.200 -0.843 0.000 2.274 503 E HA 0.302 4.666 4.350 0.024 0.000 0.269 503 E C -0.979 175.214 176.600 -0.678 0.000 0.891 503 E CA -0.736 55.276 56.400 -0.647 0.000 0.784 503 E CB 1.493 31.050 29.700 -0.238 0.000 1.225 503 E HN 0.221 nan 8.360 nan 0.000 0.412 504 Y N 2.614 122.720 120.300 -0.323 0.000 2.471 504 Y HA 0.220 4.785 4.550 0.024 0.000 0.249 504 Y C 0.609 176.222 175.900 -0.478 0.000 1.116 504 Y CA -0.139 57.673 58.100 -0.480 0.000 1.240 504 Y CB 0.449 38.450 38.460 -0.766 0.000 1.251 504 Y HN 0.420 nan 8.280 nan 0.000 0.527 505 Y N -1.452 118.933 120.300 0.141 0.000 2.430 505 Y HA 0.102 4.667 4.550 0.024 0.000 0.254 505 Y C 2.343 178.307 175.900 0.106 0.000 1.088 505 Y CA 0.141 58.318 58.100 0.128 0.000 1.267 505 Y CB -0.144 38.394 38.460 0.131 0.000 1.204 505 Y HN 0.052 nan 8.280 nan 0.000 0.515 506 S N -0.859 114.979 115.700 0.230 0.000 2.406 506 S HA -0.175 4.310 4.470 0.024 0.000 0.228 506 S C 1.424 176.116 174.600 0.153 0.000 1.020 506 S CA 1.488 59.807 58.200 0.199 0.000 0.965 506 S CB -0.504 62.815 63.200 0.197 0.000 0.798 506 S HN 0.409 nan 8.310 nan 0.000 0.488 507 H N 2.934 121.924 119.070 -0.134 0.000 2.326 507 H HA 0.178 4.749 4.556 0.024 0.000 0.301 507 H C -0.594 174.531 175.328 -0.338 0.000 1.081 507 H CA 1.326 57.139 56.048 -0.392 0.000 1.334 507 H CB -1.852 27.427 29.762 -0.805 0.000 1.385 507 H HN 0.374 nan 8.280 nan 0.000 0.504 508 P HA -0.206 nan 4.420 nan 0.000 0.216 508 P C 1.517 178.993 177.300 0.293 0.000 1.157 508 P CA 1.942 65.175 63.100 0.222 0.000 0.880 508 P CB 0.044 31.908 31.700 0.273 0.000 0.791 509 R N -0.395 120.237 120.500 0.219 0.000 2.092 509 R HA -0.124 4.231 4.340 0.024 0.000 0.231 509 R C 2.170 178.603 176.300 0.222 0.000 1.119 509 R CA 1.132 57.371 56.100 0.232 0.000 0.970 509 R CB -1.116 29.283 30.300 0.165 0.000 0.864 509 R HN 0.063 nan 8.270 nan 0.000 0.440 510 L N 0.492 121.786 121.223 0.119 0.000 2.042 510 L HA -0.141 4.213 4.340 0.024 0.000 0.210 510 L C 2.028 178.962 176.870 0.107 0.000 1.076 510 L CA 1.748 56.622 54.840 0.057 0.000 0.749 510 L CB -0.682 41.332 42.059 -0.075 0.000 0.893 510 L HN 0.256 nan 8.230 nan 0.000 0.432 511 F N -0.712 119.269 119.950 0.051 0.000 2.102 511 F HA -0.260 4.282 4.527 0.024 0.000 0.298 511 F C 2.303 178.100 175.800 -0.004 0.000 1.105 511 F CA 2.082 60.089 58.000 0.013 0.000 1.239 511 F CB -0.737 38.298 39.000 0.058 0.000 0.991 511 F HN 0.392 nan 8.300 nan 0.000 0.474 512 W N 1.386 122.686 121.300 0.000 0.000 2.317 512 W HA -0.265 4.410 4.660 0.024 0.000 0.318 512 W C 1.736 178.141 176.519 -0.191 0.000 1.227 512 W CA 1.985 59.276 57.345 -0.091 0.000 1.269 512 W CB -0.829 28.663 29.460 0.053 0.000 1.155 512 W HN 0.071 nan 8.180 nan 0.000 0.484 513 L N 1.157 122.293 121.223 -0.144 0.000 2.456 513 L HA -0.139 4.216 4.340 0.024 0.000 0.224 513 L C 2.307 178.985 176.870 -0.320 0.000 1.148 513 L CA 0.893 55.577 54.840 -0.259 0.000 0.825 513 L CB -0.605 41.434 42.059 -0.032 0.000 0.937 513 L HN -0.120 nan 8.230 nan 0.000 0.450 514 S N -1.539 113.950 115.700 -0.351 0.000 2.558 514 S HA 0.059 4.544 4.470 0.024 0.000 0.217 514 S C 0.739 175.060 174.600 -0.464 0.000 0.975 514 S CA 0.027 58.024 58.200 -0.338 0.000 0.912 514 S CB 0.083 63.115 63.200 -0.279 0.000 0.776 514 S HN 0.289 nan 8.310 nan 0.000 0.526 515 Q N 2.345 121.761 119.800 -0.641 0.000 2.299 515 Q HA 0.246 4.600 4.340 0.024 0.000 0.246 515 Q C 0.590 176.201 176.000 -0.648 0.000 0.935 515 Q CA -0.060 55.326 55.803 -0.696 0.000 0.887 515 Q CB 0.440 28.683 28.738 -0.826 0.000 1.223 515 Q HN 0.435 nan 8.270 nan 0.000 0.439 516 T N -1.295 112.839 114.554 -0.700 0.000 2.795 516 T HA 0.108 4.473 4.350 0.024 0.000 0.314 516 T C -1.698 172.544 174.700 -0.763 0.000 1.069 516 T CA -1.218 60.424 62.100 -0.764 0.000 1.071 516 T CB 0.257 68.406 68.868 -1.198 0.000 0.988 516 T HN 0.254 nan 8.240 nan 0.000 0.543 517 P HA -0.057 nan 4.420 nan 0.000 0.215 517 P C 1.386 178.476 177.300 -0.350 0.000 1.153 517 P CA 1.141 64.023 63.100 -0.363 0.000 0.853 517 P CB -0.269 31.335 31.700 -0.160 0.000 0.788 518 F N -0.092 119.663 119.950 -0.325 0.000 2.259 518 F HA 0.054 4.595 4.527 0.024 0.000 0.298 518 F C 1.831 177.276 175.800 -0.592 0.000 1.088 518 F CA 0.760 58.503 58.000 -0.427 0.000 1.358 518 F CB -1.635 37.108 39.000 -0.428 0.000 1.040 518 F HN -0.102 nan 8.300 nan 0.000 0.505 519 E N 0.640 120.284 120.200 -0.926 0.000 2.077 519 E HA -0.221 4.143 4.350 0.024 0.000 0.193 519 E C 2.207 178.605 176.600 -0.337 0.000 0.989 519 E CA 1.536 57.606 56.400 -0.550 0.000 0.800 519 E CB -0.300 29.024 29.700 -0.626 0.000 0.746 519 E HN 0.634 nan 8.360 nan 0.000 0.452 520 Q N 0.246 119.772 119.800 -0.458 0.000 2.084 520 Q HA -0.203 4.152 4.340 0.024 0.000 0.202 520 Q C 2.272 178.294 176.000 0.036 0.000 0.978 520 Q CA 1.366 56.938 55.803 -0.384 0.000 0.844 520 Q CB -0.156 28.115 28.738 -0.778 0.000 0.898 520 Q HN 0.028 nan 8.270 nan 0.000 0.426 521 R N 0.385 120.877 120.500 -0.014 0.000 2.081 521 R HA -0.162 4.193 4.340 0.024 0.000 0.235 521 R C 1.696 178.152 176.300 0.260 0.000 1.131 521 R CA 1.896 58.075 56.100 0.132 0.000 0.960 521 R CB -0.407 29.944 30.300 0.085 0.000 0.856 521 R HN 0.457 nan 8.270 nan 0.000 0.436 522 H N -0.660 118.503 119.070 0.155 0.000 2.387 522 H HA -0.056 4.515 4.556 0.024 0.000 0.299 522 H C 2.037 177.480 175.328 0.191 0.000 1.090 522 H CA 1.303 57.456 56.048 0.175 0.000 1.332 522 H CB -0.029 29.845 29.762 0.187 0.000 1.386 522 H HN 0.196 nan 8.280 nan 0.000 0.516 523 I N 0.133 120.912 120.570 0.348 0.000 2.142 523 I HA -0.268 3.917 4.170 0.024 0.000 0.240 523 I C 2.326 178.734 176.117 0.485 0.000 1.078 523 I CA 0.852 62.400 61.300 0.413 0.000 1.343 523 I CB -0.232 38.102 38.000 0.556 0.000 1.046 523 I HN 0.080 nan 8.210 nan 0.000 0.405 524 V N 1.054 121.247 119.914 0.465 0.000 2.278 524 V HA -0.362 3.772 4.120 0.024 0.000 0.251 524 V C 2.088 178.361 176.094 0.298 0.000 1.062 524 V CA 2.263 64.781 62.300 0.364 0.000 1.038 524 V CB -0.741 31.248 31.823 0.277 0.000 0.646 524 V HN 0.434 nan 8.190 nan 0.000 0.447 525 D N 0.291 120.848 120.400 0.262 0.000 2.144 525 D HA -0.098 4.556 4.640 0.024 0.000 0.199 525 D C 2.168 178.546 176.300 0.131 0.000 0.984 525 D CA 1.557 55.678 54.000 0.200 0.000 0.834 525 D CB -0.671 40.256 40.800 0.212 0.000 0.955 525 D HN 0.480 nan 8.370 nan 0.000 0.465 526 G N 0.033 108.891 108.800 0.098 0.000 2.433 526 G HA2 -0.255 3.720 3.960 0.024 0.000 0.216 526 G HA3 -0.255 3.720 3.960 0.024 0.000 0.216 526 G C 1.466 176.369 174.900 0.005 0.000 1.186 526 G CA 0.262 45.327 45.100 -0.057 0.000 0.779 526 G HN 0.163 nan 8.290 nan 0.000 0.543 527 F N 1.954 121.946 119.950 0.071 0.000 2.091 527 F HA -0.138 4.404 4.527 0.024 0.000 0.299 527 F C 3.205 178.930 175.800 -0.125 0.000 1.103 527 F CA 1.771 59.750 58.000 -0.035 0.000 1.228 527 F CB -0.450 38.539 39.000 -0.018 0.000 0.984 527 F HN 0.098 nan 8.300 nan 0.000 0.477 528 S N -0.185 115.611 115.700 0.159 0.000 2.368 528 S HA -0.211 4.274 4.470 0.024 0.000 0.225 528 S C 1.857 176.476 174.600 0.032 0.000 1.030 528 S CA 1.251 59.490 58.200 0.066 0.000 0.999 528 S CB -0.871 62.389 63.200 0.101 0.000 0.844 528 S HN 0.392 nan 8.310 nan 0.000 0.459 529 F N 2.620 122.529 119.950 -0.067 0.000 2.075 529 F HA -0.127 4.415 4.527 0.024 0.000 0.297 529 F C 2.364 178.099 175.800 -0.109 0.000 1.113 529 F CA 1.587 59.535 58.000 -0.086 0.000 1.218 529 F CB -0.301 38.587 39.000 -0.187 0.000 0.984 529 F HN 0.134 nan 8.300 nan 0.000 0.472 530 E N 0.493 120.684 120.200 -0.016 0.000 2.051 530 E HA -0.201 4.163 4.350 0.024 0.000 0.192 530 E C 2.350 178.754 176.600 -0.326 0.000 0.991 530 E CA 1.581 57.925 56.400 -0.093 0.000 0.799 530 E CB -0.498 29.291 29.700 0.148 0.000 0.748 530 E HN 0.473 nan 8.360 nan 0.000 0.449 531 L N 1.416 122.361 121.223 -0.465 0.000 2.275 531 L HA -0.122 4.233 4.340 0.024 0.000 0.215 531 L C 2.659 179.365 176.870 -0.273 0.000 1.119 531 L CA 0.994 55.549 54.840 -0.476 0.000 0.790 531 L CB -0.445 41.343 42.059 -0.451 0.000 0.919 531 L HN 0.144 nan 8.230 nan 0.000 0.443 532 S N -0.928 114.625 115.700 -0.245 0.000 2.481 532 S HA -0.085 4.400 4.470 0.024 0.000 0.231 532 S C 1.756 176.240 174.600 -0.194 0.000 0.996 532 S CA 0.476 58.559 58.200 -0.195 0.000 0.942 532 S CB -0.063 63.024 63.200 -0.188 0.000 0.768 532 S HN 0.235 nan 8.310 nan 0.000 0.520 533 K N 1.258 121.518 120.400 -0.234 0.000 2.444 533 K HA 0.358 4.692 4.320 0.024 0.000 0.193 533 K C -0.026 176.563 176.600 -0.020 0.000 1.024 533 K CA -0.074 56.133 56.287 -0.132 0.000 1.077 533 K CB -0.219 32.200 32.500 -0.136 0.000 0.833 533 K HN 0.325 nan 8.250 nan 0.000 0.517 534 V N 2.021 121.904 119.914 -0.052 0.000 2.432 534 V HA 0.013 4.148 4.120 0.024 0.000 0.271 534 V C 1.651 177.736 176.094 -0.015 0.000 1.046 534 V CA -0.137 62.164 62.300 0.002 0.000 0.945 534 V CB 1.466 33.258 31.823 -0.051 0.000 0.992 534 V HN -0.138 nan 8.190 nan 0.000 0.471 535 V N 5.012 124.940 119.914 0.023 0.000 2.488 535 V HA -0.017 4.117 4.120 0.024 0.000 0.246 535 V C 1.284 177.374 176.094 -0.007 0.000 1.046 535 V CA 1.141 63.451 62.300 0.017 0.000 1.053 535 V CB -0.519 31.332 31.823 0.046 0.000 0.679 535 V HN 0.747 nan 8.190 nan 0.000 0.458 536 R N 1.003 121.478 120.500 -0.041 0.000 2.248 536 R HA 0.182 4.536 4.340 0.024 0.000 0.337 536 R C -1.680 174.533 176.300 -0.144 0.000 1.085 536 R CA -1.433 54.626 56.100 -0.069 0.000 0.934 536 R CB 0.573 30.781 30.300 -0.154 0.000 1.034 536 R HN 0.253 nan 8.270 nan 0.000 0.465 537 P HA -0.233 nan 4.420 nan 0.000 0.216 537 P C 0.827 178.112 177.300 -0.024 0.000 1.150 537 P CA 1.265 64.353 63.100 -0.020 0.000 0.843 537 P CB -0.035 31.685 31.700 0.033 0.000 0.787 538 Y N -1.137 119.166 120.300 0.005 0.000 2.256 538 Y HA -0.134 4.431 4.550 0.024 0.000 0.288 538 Y C 1.969 177.879 175.900 0.016 0.000 1.155 538 Y CA 0.868 58.973 58.100 0.007 0.000 1.203 538 Y CB -1.753 36.712 38.460 0.008 0.000 0.980 538 Y HN -0.100 nan 8.280 nan 0.000 0.530 539 I N 0.880 121.029 120.570 -0.701 0.000 2.252 539 I HA -0.263 3.922 4.170 0.024 0.000 0.245 539 I C 2.592 178.620 176.117 -0.148 0.000 1.102 539 I CA 1.447 62.503 61.300 -0.407 0.000 1.385 539 I CB -0.420 37.333 38.000 -0.412 0.000 1.064 539 I HN 0.203 nan 8.210 nan 0.000 0.414 540 R N 0.866 121.274 120.500 -0.153 0.000 2.096 540 R HA -0.205 4.150 4.340 0.024 0.000 0.240 540 R C 2.118 178.374 176.300 -0.073 0.000 1.139 540 R CA 1.655 57.680 56.100 -0.125 0.000 0.952 540 R CB -0.535 29.691 30.300 -0.122 0.000 0.854 540 R HN 0.506 nan 8.270 nan 0.000 0.436 541 E N 0.531 120.710 120.200 -0.036 0.000 2.077 541 E HA -0.177 4.188 4.350 0.024 0.000 0.193 541 E C 2.167 178.777 176.600 0.017 0.000 0.989 541 E CA 0.928 57.328 56.400 -0.002 0.000 0.800 541 E CB -0.128 29.594 29.700 0.036 0.000 0.746 541 E HN 0.319 nan 8.360 nan 0.000 0.452 542 R N 0.531 121.056 120.500 0.041 0.000 2.096 542 R HA -0.115 4.240 4.340 0.024 0.000 0.235 542 R C 2.459 178.790 176.300 0.052 0.000 1.127 542 R CA 1.044 57.181 56.100 0.062 0.000 0.968 542 R CB -0.272 30.080 30.300 0.087 0.000 0.861 542 R HN 0.036 nan 8.270 nan 0.000 0.440 543 V N 0.208 120.147 119.914 0.042 0.000 2.358 543 V HA -0.209 3.926 4.120 0.024 0.000 0.246 543 V C 2.265 178.356 176.094 -0.006 0.000 1.047 543 V CA 1.541 63.880 62.300 0.066 0.000 1.035 543 V CB -0.271 31.605 31.823 0.088 0.000 0.658 543 V HN 0.137 nan 8.190 nan 0.000 0.452 544 V N 0.574 120.456 119.914 -0.053 0.000 2.392 544 V HA -0.322 3.812 4.120 0.024 0.000 0.249 544 V C 2.298 178.358 176.094 -0.056 0.000 1.059 544 V CA 2.487 64.732 62.300 -0.093 0.000 1.051 544 V CB -0.706 31.064 31.823 -0.088 0.000 0.658 544 V HN 0.685 nan 8.190 nan 0.000 0.455 545 D N -0.914 119.486 120.400 -0.001 0.000 2.144 545 D HA -0.195 4.460 4.640 0.024 0.000 0.199 545 D C 2.249 178.637 176.300 0.147 0.000 0.984 545 D CA 1.073 55.103 54.000 0.050 0.000 0.834 545 D CB 0.006 40.854 40.800 0.080 0.000 0.955 545 D HN 0.308 nan 8.370 nan 0.000 0.465 546 Q N -0.178 119.684 119.800 0.104 0.000 2.119 546 Q HA -0.048 4.307 4.340 0.024 0.000 0.201 546 Q C 2.512 178.551 176.000 0.066 0.000 0.972 546 Q CA 0.633 56.502 55.803 0.111 0.000 0.847 546 Q CB -0.277 28.538 28.738 0.128 0.000 0.903 546 Q HN 0.459 nan 8.270 nan 0.000 0.433 547 L N 0.027 121.226 121.223 -0.041 0.000 2.191 547 L HA -0.112 4.242 4.340 0.024 0.000 0.212 547 L C 2.262 179.026 176.870 -0.175 0.000 1.103 547 L CA 0.917 55.655 54.840 -0.169 0.000 0.769 547 L CB -0.612 41.241 42.059 -0.344 0.000 0.908 547 L HN 0.081 nan 8.230 nan 0.000 0.438 548 A N -0.753 121.987 122.820 -0.132 0.000 2.121 548 A HA -0.177 4.158 4.320 0.024 0.000 0.218 548 A C 1.707 179.136 177.584 -0.259 0.000 1.154 548 A CA 1.065 52.988 52.037 -0.190 0.000 0.679 548 A CB -0.677 18.216 19.000 -0.178 0.000 0.795 548 A HN 0.439 nan 8.150 nan 0.000 0.458 549 H N -1.208 117.658 119.070 -0.340 0.000 2.551 549 H HA 0.254 4.825 4.556 0.024 0.000 0.266 549 H C 1.517 176.584 175.328 -0.436 0.000 0.977 549 H CA 0.937 56.661 56.048 -0.541 0.000 1.163 549 H CB 0.033 29.066 29.762 -1.215 0.000 1.381 549 H HN 0.504 nan 8.280 nan 0.000 0.581 550 I N -1.144 119.336 120.570 -0.150 0.000 2.900 550 I HA 0.077 4.262 4.170 0.024 0.000 0.251 550 I C -0.132 175.913 176.117 -0.120 0.000 1.102 550 I CA 0.465 61.736 61.300 -0.048 0.000 1.457 550 I CB 0.720 38.720 38.000 0.001 0.000 1.285 550 I HN 0.094 nan 8.210 nan 0.000 0.459 551 D N -0.729 119.526 120.400 -0.241 0.000 2.871 551 D HA 0.175 4.830 4.640 0.024 0.000 0.209 551 D C 0.369 176.504 176.300 -0.275 0.000 1.292 551 D CA -0.367 53.473 54.000 -0.267 0.000 0.869 551 D CB 1.242 41.762 40.800 -0.466 0.000 1.663 551 D HN -0.160 nan 8.370 nan 0.000 0.557 552 L N 2.566 123.690 121.223 -0.166 0.000 2.083 552 L HA -0.085 4.270 4.340 0.024 0.000 0.209 552 L C 1.755 178.544 176.870 -0.135 0.000 1.083 552 L CA 1.797 56.551 54.840 -0.143 0.000 0.752 552 L CB -0.951 41.053 42.059 -0.091 0.000 0.899 552 L HN 0.637 nan 8.230 nan 0.000 0.433 553 T N 0.161 114.659 114.554 -0.092 0.000 2.708 553 T HA -0.222 4.142 4.350 0.024 0.000 0.266 553 T C 1.995 176.624 174.700 -0.118 0.000 1.037 553 T CA 1.087 63.172 62.100 -0.026 0.000 1.146 553 T CB -0.243 68.698 68.868 0.123 0.000 0.865 553 T HN 0.238 nan 8.240 nan 0.000 0.435 554 L N 0.570 121.559 121.223 -0.390 0.000 2.012 554 L HA -0.145 4.210 4.340 0.024 0.000 0.210 554 L C 2.810 179.447 176.870 -0.387 0.000 1.073 554 L CA 1.721 56.181 54.840 -0.634 0.000 0.748 554 L CB -0.650 40.672 42.059 -1.228 0.000 0.891 554 L HN 0.300 nan 8.230 nan 0.000 0.431 555 A N -0.738 121.876 122.820 -0.342 0.000 1.902 555 A HA -0.268 4.067 4.320 0.024 0.000 0.217 555 A C 2.061 179.546 177.584 -0.165 0.000 1.181 555 A CA 1.669 53.554 52.037 -0.253 0.000 0.623 555 A CB -0.523 18.346 19.000 -0.217 0.000 0.818 555 A HN 0.607 nan 8.150 nan 0.000 0.443 556 Q N -0.673 119.052 119.800 -0.126 0.000 2.084 556 Q HA -0.119 4.236 4.340 0.024 0.000 0.202 556 Q C 2.432 178.403 176.000 -0.050 0.000 0.978 556 Q CA 1.406 57.165 55.803 -0.073 0.000 0.844 556 Q CB -0.387 28.321 28.738 -0.049 0.000 0.898 556 Q HN 0.691 nan 8.270 nan 0.000 0.426 557 A N 0.295 123.090 122.820 -0.042 0.000 1.898 557 A HA -0.126 4.208 4.320 0.024 0.000 0.216 557 A C 2.321 179.903 177.584 -0.004 0.000 1.181 557 A CA 1.296 53.336 52.037 0.004 0.000 0.620 557 A CB -0.615 18.417 19.000 0.052 0.000 0.819 557 A HN 0.208 nan 8.150 nan 0.000 0.442 558 V N -0.139 119.745 119.914 -0.050 0.000 2.358 558 V HA -0.207 3.927 4.120 0.024 0.000 0.246 558 V C 3.048 179.109 176.094 -0.055 0.000 1.047 558 V CA 1.789 64.059 62.300 -0.051 0.000 1.035 558 V CB -1.234 30.507 31.823 -0.137 0.000 0.658 558 V HN 0.605 nan 8.190 nan 0.000 0.452 559 A N -0.097 122.680 122.820 -0.072 0.000 1.908 559 A HA -0.292 4.042 4.320 0.024 0.000 0.218 559 A C 2.351 179.917 177.584 -0.030 0.000 1.181 559 A CA 2.301 54.304 52.037 -0.057 0.000 0.627 559 A CB -0.525 18.440 19.000 -0.059 0.000 0.818 559 A HN 0.522 nan 8.150 nan 0.000 0.445 560 K N -0.386 120.003 120.400 -0.019 0.000 2.063 560 K HA -0.192 4.143 4.320 0.024 0.000 0.208 560 K C 1.454 178.058 176.600 0.007 0.000 1.048 560 K CA 1.623 57.909 56.287 -0.002 0.000 0.928 560 K CB -0.223 32.282 32.500 0.009 0.000 0.713 560 K HN 0.443 nan 8.250 nan 0.000 0.442 561 N N 0.749 119.457 118.700 0.013 0.000 2.381 561 N HA -0.103 4.651 4.740 0.024 0.000 0.182 561 N C 1.333 176.847 175.510 0.006 0.000 1.025 561 N CA 0.842 53.906 53.050 0.024 0.000 0.888 561 N CB 0.063 38.577 38.487 0.046 0.000 0.965 561 N HN 0.284 nan 8.380 nan 0.000 0.438 562 L N -0.714 120.501 121.223 -0.014 0.000 2.607 562 L HA 0.249 4.604 4.340 0.024 0.000 0.228 562 L C 0.978 177.837 176.870 -0.020 0.000 1.123 562 L CA -0.053 54.771 54.840 -0.027 0.000 0.890 562 L CB -0.132 41.897 42.059 -0.052 0.000 1.103 562 L HN 0.083 nan 8.230 nan 0.000 0.468 563 G N 1.455 110.249 108.800 -0.010 0.000 2.198 563 G HA2 -0.281 3.693 3.960 0.024 0.000 0.260 563 G HA3 -0.281 3.693 3.960 0.024 0.000 0.260 563 G C 0.082 174.976 174.900 -0.010 0.000 1.025 563 G CA 0.056 45.152 45.100 -0.006 0.000 0.769 563 G HN 0.326 nan 8.290 nan 0.000 0.507 564 I N -0.047 120.512 120.570 -0.018 0.000 2.412 564 I HA 0.451 4.635 4.170 0.024 0.000 0.296 564 I C 0.280 176.384 176.117 -0.021 0.000 0.987 564 I CA -0.745 60.542 61.300 -0.020 0.000 1.180 564 I CB 1.884 39.866 38.000 -0.031 0.000 1.340 564 I HN 0.218 nan 8.210 nan 0.000 0.455 565 E N 6.493 126.682 120.200 -0.018 0.000 2.158 565 E HA 0.445 4.809 4.350 0.024 0.000 0.271 565 E C -1.068 175.516 176.600 -0.026 0.000 0.911 565 E CA -0.667 55.721 56.400 -0.020 0.000 0.767 565 E CB 1.258 30.949 29.700 -0.014 0.000 1.120 565 E HN 0.467 nan 8.360 nan 0.000 0.405 566 L N 3.221 124.423 121.223 -0.034 0.000 2.467 566 L HA 0.175 4.529 4.340 0.024 0.000 0.270 566 L C 1.058 177.907 176.870 -0.035 0.000 1.205 566 L CA -0.233 54.582 54.840 -0.042 0.000 0.828 566 L CB 0.514 42.539 42.059 -0.056 0.000 1.101 566 L HN 0.697 nan 8.230 nan 0.000 0.479 567 T N -3.143 111.390 114.554 -0.036 0.000 2.788 567 T HA 0.102 4.466 4.350 0.024 0.000 0.280 567 T C 0.683 175.361 174.700 -0.038 0.000 0.984 567 T CA -0.808 61.274 62.100 -0.031 0.000 0.972 567 T CB 1.016 69.868 68.868 -0.026 0.000 1.039 567 T HN 0.502 nan 8.240 nan 0.000 0.530 568 D N 0.589 120.970 120.400 -0.031 0.000 2.144 568 D HA -0.102 4.553 4.640 0.024 0.000 0.200 568 D C 1.822 178.096 176.300 -0.043 0.000 0.978 568 D CA 1.209 55.188 54.000 -0.034 0.000 0.833 568 D CB -0.167 40.617 40.800 -0.025 0.000 0.961 568 D HN 0.722 nan 8.370 nan 0.000 0.470 569 D N 0.989 121.362 120.400 -0.043 0.000 2.144 569 D HA -0.167 4.487 4.640 0.024 0.000 0.200 569 D C 1.848 178.096 176.300 -0.086 0.000 0.978 569 D CA 0.660 54.627 54.000 -0.055 0.000 0.833 569 D CB -0.505 40.270 40.800 -0.042 0.000 0.961 569 D HN 0.292 nan 8.370 nan 0.000 0.470 570 Q N 0.234 119.983 119.800 -0.086 0.000 2.119 570 Q HA 0.007 4.361 4.340 0.024 0.000 0.201 570 Q C 2.584 178.508 176.000 -0.127 0.000 0.972 570 Q CA 0.579 56.308 55.803 -0.123 0.000 0.847 570 Q CB -0.074 28.606 28.738 -0.097 0.000 0.903 570 Q HN 0.305 nan 8.270 nan 0.000 0.433 571 L N 0.701 121.870 121.223 -0.090 0.000 2.191 571 L HA -0.146 4.208 4.340 0.024 0.000 0.212 571 L C 1.280 178.101 176.870 -0.082 0.000 1.103 571 L CA 0.581 55.373 54.840 -0.080 0.000 0.769 571 L CB -0.158 41.867 42.059 -0.056 0.000 0.908 571 L HN 0.244 nan 8.230 nan 0.000 0.438 572 N N -0.109 118.540 118.700 -0.084 0.000 2.235 572 N HA 0.222 4.977 4.740 0.024 0.000 0.209 572 N C 0.312 175.762 175.510 -0.100 0.000 1.122 572 N CA 0.047 53.051 53.050 -0.076 0.000 0.845 572 N CB 0.583 39.036 38.487 -0.056 0.000 1.004 572 N HN 0.238 nan 8.380 nan 0.000 0.499 573 I N 1.252 121.730 120.570 -0.153 0.000 2.598 573 I HA -0.082 4.102 4.170 0.024 0.000 0.284 573 I C 1.171 177.200 176.117 -0.147 0.000 1.140 573 I CA 0.484 61.662 61.300 -0.204 0.000 1.420 573 I CB 0.514 38.276 38.000 -0.396 0.000 1.387 573 I HN -0.137 nan 8.210 nan 0.000 0.553 574 T N 8.183 122.677 114.554 -0.100 0.000 2.901 574 T HA 0.213 4.577 4.350 0.024 0.000 0.301 574 T C -2.072 172.595 174.700 -0.055 0.000 1.012 574 T CA -1.284 60.781 62.100 -0.058 0.000 1.135 574 T CB 0.485 69.338 68.868 -0.025 0.000 0.936 574 T HN 0.363 nan 8.240 nan 0.000 0.539 575 P HA 0.224 nan 4.420 nan 0.000 0.267 575 P C -2.534 174.781 177.300 0.026 0.000 1.200 575 P CA -1.247 61.845 63.100 -0.014 0.000 0.772 575 P CB -0.466 31.235 31.700 0.002 0.000 0.855 576 P HA 0.232 nan 4.420 nan 0.000 0.272 576 P C -2.452 174.903 177.300 0.092 0.000 1.240 576 P CA -1.299 61.868 63.100 0.111 0.000 0.791 576 P CB -1.090 30.722 31.700 0.187 0.000 0.978 577 P HA 0.113 nan 4.420 nan 0.000 0.272 577 P C -0.219 177.133 177.300 0.086 0.000 1.240 577 P CA 0.087 63.236 63.100 0.082 0.000 0.791 577 P CB 0.192 31.942 31.700 0.083 0.000 0.978 578 D N -0.399 120.044 120.400 0.072 0.000 2.369 578 D HA 0.068 4.722 4.640 0.024 0.000 0.241 578 D C -0.108 176.243 176.300 0.086 0.000 1.271 578 D CA 0.012 54.052 54.000 0.066 0.000 0.942 578 D CB 0.257 41.090 40.800 0.055 0.000 1.129 578 D HN -0.025 nan 8.370 nan 0.000 0.476 579 V N 1.742 121.699 119.914 0.072 0.000 2.288 579 V HA 0.066 4.201 4.120 0.024 0.000 0.266 579 V C -0.016 176.173 176.094 0.158 0.000 1.048 579 V CA -0.454 61.916 62.300 0.118 0.000 0.842 579 V CB -0.621 31.190 31.823 -0.020 0.000 1.064 579 V HN 0.569 nan 8.190 nan 0.000 0.472 580 N N 4.305 123.107 118.700 0.170 0.000 2.725 580 N HA -0.218 4.537 4.740 0.024 0.000 0.251 580 N C 1.184 176.752 175.510 0.098 0.000 1.031 580 N CA 1.096 54.230 53.050 0.140 0.000 0.720 580 N CB -0.935 37.678 38.487 0.209 0.000 0.930 580 N HN 1.227 nan 8.380 nan 0.000 0.543 581 G N -2.447 106.398 108.800 0.075 0.000 2.205 581 G HA2 -0.330 3.645 3.960 0.024 0.000 0.261 581 G HA3 -0.330 3.645 3.960 0.024 0.000 0.261 581 G C -0.020 174.911 174.900 0.051 0.000 0.980 581 G CA 0.308 45.441 45.100 0.054 0.000 0.632 581 G HN 0.361 nan 8.290 nan 0.000 0.533 582 L N 0.574 121.832 121.223 0.058 0.000 2.319 582 L HA 0.539 4.893 4.340 0.024 0.000 0.280 582 L C 1.261 178.148 176.870 0.028 0.000 1.099 582 L CA 0.437 55.302 54.840 0.042 0.000 0.828 582 L CB 1.389 43.475 42.059 0.045 0.000 1.150 582 L HN 0.170 nan 8.230 nan 0.000 0.442 583 K N 3.443 123.854 120.400 0.019 0.000 2.373 583 K HA 0.193 4.527 4.320 0.024 0.000 0.202 583 K C -0.625 175.971 176.600 -0.005 0.000 1.025 583 K CA -0.019 56.276 56.287 0.014 0.000 1.115 583 K CB 0.278 32.787 32.500 0.014 0.000 0.858 583 K HN 0.637 nan 8.250 nan 0.000 0.525 584 K N -0.706 119.686 120.400 -0.013 0.000 2.991 584 K HA 0.159 4.494 4.320 0.024 0.000 0.309 584 K C -2.273 174.312 176.600 -0.025 0.000 1.122 584 K CA -0.985 55.278 56.287 -0.039 0.000 0.879 584 K CB 0.676 33.133 32.500 -0.071 0.000 1.418 584 K HN -0.194 nan 8.250 nan 0.000 0.369 585 D N 1.787 122.166 120.400 -0.036 0.000 2.478 585 D HA 0.331 4.985 4.640 0.024 0.000 0.240 585 D C -2.212 174.073 176.300 -0.024 0.000 1.364 585 D CA -2.046 51.952 54.000 -0.004 0.000 0.987 585 D CB 2.214 43.033 40.800 0.032 0.000 1.328 585 D HN 0.270 nan 8.370 nan 0.000 0.584 586 P HA -0.096 nan 4.420 nan 0.000 0.223 586 P C 1.219 178.514 177.300 -0.008 0.000 1.144 586 P CA 0.837 63.911 63.100 -0.043 0.000 0.783 586 P CB 0.198 31.882 31.700 -0.026 0.000 0.771 587 S N -1.315 114.413 115.700 0.047 0.000 2.555 587 S HA -0.012 4.473 4.470 0.024 0.000 0.230 587 S C 1.573 176.264 174.600 0.151 0.000 0.978 587 S CA 0.569 58.833 58.200 0.107 0.000 0.934 587 S CB -1.286 62.002 63.200 0.147 0.000 0.766 587 S HN 0.139 nan 8.310 nan 0.000 0.533 588 L N 1.216 122.490 121.223 0.086 0.000 2.558 588 L HA 0.242 4.596 4.340 0.024 0.000 0.225 588 L C 1.376 178.156 176.870 -0.150 0.000 1.128 588 L CA 0.016 54.909 54.840 0.089 0.000 0.868 588 L CB -0.196 41.907 42.059 0.074 0.000 1.006 588 L HN 0.327 nan 8.230 nan 0.000 0.454 589 S N -0.440 115.154 115.700 -0.177 0.000 2.585 589 S HA 0.324 4.808 4.470 0.024 0.000 0.277 589 S C 1.016 175.502 174.600 -0.191 0.000 1.241 589 S CA -0.618 57.418 58.200 -0.274 0.000 1.041 589 S CB 1.469 64.510 63.200 -0.266 0.000 0.987 589 S HN 0.159 nan 8.310 nan 0.000 0.512 590 L N 2.877 123.908 121.223 -0.321 0.000 2.131 590 L HA 0.064 4.419 4.340 0.024 0.000 0.206 590 L C 0.821 177.457 176.870 -0.390 0.000 1.087 590 L CA 1.044 55.606 54.840 -0.463 0.000 0.767 590 L CB -0.224 41.215 42.059 -1.032 0.000 0.917 590 L HN 0.765 nan 8.230 nan 0.000 0.441 591 Y N -2.342 117.944 120.300 -0.023 0.000 2.471 591 Y HA 0.339 4.904 4.550 0.024 0.000 0.249 591 Y C 2.083 177.995 175.900 0.021 0.000 1.116 591 Y CA -0.145 57.988 58.100 0.054 0.000 1.240 591 Y CB -0.392 38.122 38.460 0.090 0.000 1.251 591 Y HN -0.043 nan 8.280 nan 0.000 0.527 592 A N 0.319 123.166 122.820 0.045 0.000 1.972 592 A HA -0.033 4.301 4.320 0.024 0.000 0.219 592 A C 0.709 178.326 177.584 0.053 0.000 1.169 592 A CA 1.251 53.290 52.037 0.003 0.000 0.635 592 A CB -0.639 18.303 19.000 -0.098 0.000 0.810 592 A HN 0.237 nan 8.150 nan 0.000 0.446 593 I N 1.527 122.137 120.570 0.067 0.000 2.359 593 I HA 0.272 4.456 4.170 0.024 0.000 0.284 593 I C -2.231 173.954 176.117 0.114 0.000 1.018 593 I CA -2.342 59.005 61.300 0.078 0.000 1.173 593 I CB 1.620 39.656 38.000 0.059 0.000 1.326 593 I HN 0.039 nan 8.210 nan 0.000 0.462 594 P HA 0.026 nan 4.420 nan 0.000 0.263 594 P C -0.471 176.900 177.300 0.117 0.000 1.175 594 P CA 0.334 63.522 63.100 0.147 0.000 0.761 594 P CB 0.580 32.354 31.700 0.124 0.000 0.794 595 D N 0.507 120.984 120.400 0.127 0.000 2.704 595 D HA 0.081 4.735 4.640 0.024 0.000 0.291 595 D C 0.565 176.920 176.300 0.093 0.000 1.610 595 D CA -0.370 53.688 54.000 0.097 0.000 0.807 595 D CB -0.588 40.267 40.800 0.091 0.000 1.233 595 D HN 0.343 nan 8.370 nan 0.000 0.445 596 G N 0.491 109.358 108.800 0.111 0.000 2.334 596 G HA2 0.320 4.295 3.960 0.024 0.000 0.261 596 G HA3 0.320 4.295 3.960 0.024 0.000 0.261 596 G C -0.577 174.363 174.900 0.066 0.000 1.257 596 G CA 0.035 45.196 45.100 0.101 0.000 0.935 596 G HN 0.111 nan 8.290 nan 0.000 0.480 597 D N 1.415 121.845 120.400 0.050 0.000 2.248 597 D HA 0.303 4.958 4.640 0.024 0.000 0.246 597 D C 0.446 176.762 176.300 0.027 0.000 1.027 597 D CA -0.710 53.307 54.000 0.029 0.000 0.853 597 D CB 2.245 43.054 40.800 0.015 0.000 1.243 597 D HN 0.069 nan 8.370 nan 0.000 0.462 598 V N 3.181 123.102 119.914 0.011 0.000 3.661 598 V HA 0.146 4.281 4.120 0.024 0.000 0.271 598 V C 0.811 176.894 176.094 -0.018 0.000 1.315 598 V CA 0.059 62.363 62.300 0.007 0.000 1.072 598 V CB -0.299 31.523 31.823 -0.001 0.000 0.830 598 V HN 0.486 nan 8.190 nan 0.000 0.443 599 K N 0.388 120.769 120.400 -0.032 0.000 2.447 599 K HA 0.345 4.679 4.320 0.024 0.000 0.281 599 K C 1.130 177.704 176.600 -0.043 0.000 1.031 599 K CA 1.130 57.379 56.287 -0.063 0.000 1.019 599 K CB 0.279 32.744 32.500 -0.059 0.000 0.918 599 K HN 0.434 nan 8.250 nan 0.000 0.476 600 G N 3.261 112.020 108.800 -0.069 0.000 2.234 600 G HA2 -0.201 3.773 3.960 0.024 0.000 0.235 600 G HA3 -0.201 3.773 3.960 0.024 0.000 0.235 600 G C 0.072 175.051 174.900 0.132 0.000 0.997 600 G CA -0.335 44.806 45.100 0.069 0.000 0.623 600 G HN 0.554 nan 8.290 nan 0.000 0.514 601 R N -0.027 120.511 120.500 0.064 0.000 2.738 601 R HA 0.708 5.063 4.340 0.024 0.000 0.275 601 R C 0.054 176.430 176.300 0.126 0.000 1.121 601 R CA -0.109 56.050 56.100 0.098 0.000 1.207 601 R CB 0.809 31.152 30.300 0.071 0.000 1.141 601 R HN 0.647 nan 8.270 nan 0.000 0.571 602 V N 0.206 120.201 119.914 0.136 0.000 2.925 602 V HA 0.473 4.607 4.120 0.024 0.000 0.311 602 V C -1.167 174.993 176.094 0.110 0.000 1.104 602 V CA -0.758 61.633 62.300 0.152 0.000 0.954 602 V CB 2.587 34.519 31.823 0.182 0.000 1.022 602 V HN 0.347 nan 8.190 nan 0.000 0.427 603 V N 5.237 125.211 119.914 0.099 0.000 2.540 603 V HA 0.798 4.933 4.120 0.024 0.000 0.302 603 V C 0.392 176.538 176.094 0.088 0.000 1.035 603 V CA -0.236 62.110 62.300 0.076 0.000 0.873 603 V CB 1.685 33.538 31.823 0.050 0.000 0.992 603 V HN 1.167 nan 8.190 nan 0.000 0.428 604 A N 5.940 128.818 122.820 0.096 0.000 2.363 604 A HA 0.789 5.124 4.320 0.024 0.000 0.270 604 A C -0.452 177.144 177.584 0.021 0.000 1.121 604 A CA -0.235 51.850 52.037 0.080 0.000 0.800 604 A CB 0.173 19.241 19.000 0.114 0.000 1.052 604 A HN 0.772 nan 8.150 nan 0.000 0.493 605 I N 3.345 123.923 120.570 0.014 0.000 2.382 605 I HA 0.195 4.379 4.170 0.024 0.000 0.285 605 I C -0.719 175.404 176.117 0.011 0.000 1.007 605 I CA -0.196 61.112 61.300 0.014 0.000 1.142 605 I CB 1.349 39.371 38.000 0.037 0.000 1.289 605 I HN 0.494 nan 8.210 nan 0.000 0.453 606 L N 7.194 128.401 121.223 -0.027 0.000 2.295 606 L HA 0.408 4.762 4.340 0.024 0.000 0.288 606 L C 0.054 177.004 176.870 0.133 0.000 1.079 606 L CA -0.290 54.570 54.840 0.034 0.000 0.830 606 L CB 0.096 42.021 42.059 -0.223 0.000 1.200 606 L HN 0.437 nan 8.230 nan 0.000 0.438 607 L N 3.587 124.946 121.223 0.227 0.000 2.468 607 L HA 0.339 4.693 4.340 0.024 0.000 0.254 607 L C 0.128 177.160 176.870 0.269 0.000 1.171 607 L CA -0.390 54.543 54.840 0.156 0.000 0.809 607 L CB 1.086 43.159 42.059 0.023 0.000 1.155 607 L HN 0.721 nan 8.230 nan 0.000 0.473 608 N N -2.285 116.479 118.700 0.107 0.000 2.697 608 N HA 0.219 4.974 4.740 0.024 0.000 0.272 608 N C -0.373 175.100 175.510 -0.062 0.000 1.381 608 N CA -0.769 52.378 53.050 0.161 0.000 0.797 608 N CB 0.776 39.363 38.487 0.166 0.000 1.523 608 N HN 0.522 nan 8.380 nan 0.000 0.518 609 D N -1.448 118.951 120.400 -0.002 0.000 2.378 609 D HA -0.049 4.606 4.640 0.024 0.000 0.227 609 D C -0.386 175.878 176.300 -0.060 0.000 1.012 609 D CA 0.889 54.837 54.000 -0.087 0.000 0.905 609 D CB -0.105 40.708 40.800 0.023 0.000 0.895 609 D HN 0.547 nan 8.370 nan 0.000 0.532 610 E N 0.550 120.731 120.200 -0.032 0.000 4.139 610 E HA 0.171 4.535 4.350 0.024 0.000 0.227 610 E C -0.844 175.742 176.600 -0.023 0.000 1.187 610 E CA -0.448 55.936 56.400 -0.027 0.000 1.324 610 E CB 1.427 31.120 29.700 -0.010 0.000 1.207 610 E HN -0.004 nan 8.360 nan 0.000 0.422 611 V N 1.442 121.334 119.914 -0.036 0.000 2.673 611 V HA 0.017 4.151 4.120 0.024 0.000 0.303 611 V C 1.121 177.199 176.094 -0.027 0.000 1.046 611 V CA 0.332 62.617 62.300 -0.026 0.000 1.126 611 V CB 0.638 32.441 31.823 -0.034 0.000 0.934 611 V HN 0.306 nan 8.190 nan 0.000 0.487 612 R N 3.583 124.068 120.500 -0.025 0.000 2.309 612 R HA 0.075 4.430 4.340 0.024 0.000 0.331 612 R C 1.507 177.787 176.300 -0.033 0.000 1.116 612 R CA 0.418 56.500 56.100 -0.031 0.000 0.970 612 R CB 0.285 30.562 30.300 -0.038 0.000 1.024 612 R HN 0.968 nan 8.270 nan 0.000 0.472 613 S N 3.086 118.769 115.700 -0.030 0.000 2.440 613 S HA -0.230 4.255 4.470 0.024 0.000 0.238 613 S C 1.907 176.489 174.600 -0.028 0.000 1.010 613 S CA 0.913 59.097 58.200 -0.027 0.000 0.972 613 S CB -0.090 63.096 63.200 -0.024 0.000 0.774 613 S HN 0.696 nan 8.310 nan 0.000 0.501 614 A N 2.450 125.249 122.820 -0.034 0.000 1.902 614 A HA -0.125 4.210 4.320 0.024 0.000 0.217 614 A C 2.015 179.571 177.584 -0.047 0.000 1.181 614 A CA 1.641 53.656 52.037 -0.037 0.000 0.623 614 A CB -0.820 18.155 19.000 -0.042 0.000 0.818 614 A HN 0.452 nan 8.150 nan 0.000 0.443 615 D N -0.030 120.332 120.400 -0.063 0.000 2.084 615 D HA -0.119 4.536 4.640 0.024 0.000 0.194 615 D C 1.977 178.252 176.300 -0.042 0.000 0.990 615 D CA 0.927 54.877 54.000 -0.084 0.000 0.826 615 D CB -0.391 40.345 40.800 -0.107 0.000 0.971 615 D HN 0.374 nan 8.370 nan 0.000 0.453 616 L N 0.389 121.597 121.223 -0.026 0.000 2.042 616 L HA -0.165 4.189 4.340 0.024 0.000 0.210 616 L C 2.535 179.404 176.870 -0.001 0.000 1.076 616 L CA 0.719 55.555 54.840 -0.007 0.000 0.749 616 L CB -0.264 41.790 42.059 -0.009 0.000 0.893 616 L HN 0.096 nan 8.230 nan 0.000 0.432 617 L N -0.738 120.480 121.223 -0.008 0.000 2.017 617 L HA -0.222 4.132 4.340 0.024 0.000 0.208 617 L C 2.838 179.710 176.870 0.003 0.000 1.073 617 L CA 1.346 56.184 54.840 -0.003 0.000 0.745 617 L CB -0.710 41.345 42.059 -0.008 0.000 0.894 617 L HN 0.253 nan 8.230 nan 0.000 0.432 618 A N 0.097 122.916 122.820 -0.001 0.000 1.902 618 A HA -0.183 4.151 4.320 0.024 0.000 0.217 618 A C 2.198 179.804 177.584 0.036 0.000 1.181 618 A CA 1.522 53.566 52.037 0.011 0.000 0.623 618 A CB -0.630 18.368 19.000 -0.003 0.000 0.818 618 A HN 0.350 nan 8.150 nan 0.000 0.443 619 I N -0.362 120.233 120.570 0.041 0.000 2.113 619 I HA -0.260 3.925 4.170 0.024 0.000 0.238 619 I C 2.378 178.524 176.117 0.049 0.000 1.070 619 I CA 1.334 62.677 61.300 0.071 0.000 1.332 619 I CB -0.379 37.667 38.000 0.077 0.000 1.044 619 I HN 0.283 nan 8.210 nan 0.000 0.402 620 L N 0.324 121.567 121.223 0.033 0.000 2.131 620 L HA -0.214 4.140 4.340 0.024 0.000 0.210 620 L C 2.567 179.448 176.870 0.018 0.000 1.092 620 L CA 1.323 56.179 54.840 0.026 0.000 0.759 620 L CB -0.597 41.476 42.059 0.023 0.000 0.903 620 L HN 0.234 nan 8.230 nan 0.000 0.435 621 K N 0.278 120.688 120.400 0.016 0.000 2.155 621 K HA -0.094 4.240 4.320 0.024 0.000 0.203 621 K C 2.195 178.801 176.600 0.009 0.000 1.052 621 K CA 1.005 57.298 56.287 0.011 0.000 0.948 621 K CB 0.026 32.531 32.500 0.009 0.000 0.728 621 K HN 0.260 nan 8.250 nan 0.000 0.448 622 A N 1.307 124.138 122.820 0.019 0.000 1.898 622 A HA -0.117 4.217 4.320 0.024 0.000 0.216 622 A C 2.052 179.638 177.584 0.003 0.000 1.181 622 A CA 1.094 53.142 52.037 0.018 0.000 0.620 622 A CB -0.525 18.499 19.000 0.039 0.000 0.819 622 A HN 0.243 nan 8.150 nan 0.000 0.442 623 L N -0.834 120.392 121.223 0.005 0.000 2.017 623 L HA -0.165 4.189 4.340 0.024 0.000 0.208 623 L C 2.679 179.524 176.870 -0.041 0.000 1.073 623 L CA 1.481 56.312 54.840 -0.015 0.000 0.745 623 L CB -0.482 41.577 42.059 -0.001 0.000 0.894 623 L HN 0.279 nan 8.230 nan 0.000 0.432 624 K N 0.701 121.085 120.400 -0.027 0.000 2.103 624 K HA -0.151 4.183 4.320 0.024 0.000 0.207 624 K C 2.026 178.603 176.600 -0.038 0.000 1.048 624 K CA 1.586 57.852 56.287 -0.035 0.000 0.930 624 K CB -0.193 32.301 32.500 -0.010 0.000 0.716 624 K HN 0.280 nan 8.250 nan 0.000 0.444 625 A N 0.881 123.686 122.820 -0.025 0.000 2.070 625 A HA -0.096 4.238 4.320 0.024 0.000 0.220 625 A C 1.591 179.156 177.584 -0.032 0.000 1.159 625 A CA 1.322 53.346 52.037 -0.022 0.000 0.656 625 A CB -0.049 18.944 19.000 -0.011 0.000 0.800 625 A HN 0.111 nan 8.150 nan 0.000 0.453 626 K N -1.398 118.976 120.400 -0.043 0.000 2.373 626 K HA 0.243 4.578 4.320 0.024 0.000 0.202 626 K C 0.904 177.454 176.600 -0.082 0.000 1.025 626 K CA 0.505 56.763 56.287 -0.049 0.000 1.115 626 K CB -0.072 32.404 32.500 -0.039 0.000 0.858 626 K HN 0.716 nan 8.250 nan 0.000 0.525 627 G N 1.366 110.097 108.800 -0.114 0.000 2.176 627 G HA2 -0.228 3.746 3.960 0.024 0.000 0.252 627 G HA3 -0.228 3.746 3.960 0.024 0.000 0.252 627 G C -0.021 174.684 174.900 -0.325 0.000 1.024 627 G CA 0.246 45.231 45.100 -0.191 0.000 0.755 627 G HN 0.103 nan 8.290 nan 0.000 0.507 628 V N 0.505 120.264 119.914 -0.258 0.000 2.481 628 V HA 0.520 4.654 4.120 0.024 0.000 0.286 628 V C 0.743 176.660 176.094 -0.294 0.000 1.042 628 V CA -0.801 61.349 62.300 -0.250 0.000 0.928 628 V CB 1.283 33.049 31.823 -0.094 0.000 0.986 628 V HN 0.451 nan 8.190 nan 0.000 0.462 629 H N 1.641 120.724 119.070 0.020 0.000 2.508 629 H HA 0.761 5.332 4.556 0.024 0.000 0.358 629 H C 0.182 175.530 175.328 0.034 0.000 1.212 629 H CA 0.133 56.196 56.048 0.025 0.000 1.356 629 H CB 1.284 31.063 29.762 0.029 0.000 1.525 629 H HN 0.855 nan 8.280 nan 0.000 0.578 630 A N 1.195 124.120 122.820 0.176 0.000 2.435 630 A HA 0.533 4.867 4.320 0.024 0.000 0.304 630 A C -1.130 176.514 177.584 0.100 0.000 1.064 630 A CA -1.009 51.094 52.037 0.110 0.000 0.727 630 A CB 1.109 20.154 19.000 0.076 0.000 1.284 630 A HN 0.789 nan 8.150 nan 0.000 0.415 631 K N 2.491 122.943 120.400 0.087 0.000 2.502 631 K HA 0.642 4.977 4.320 0.024 0.000 0.254 631 K C -1.583 175.053 176.600 0.060 0.000 0.947 631 K CA -0.450 55.882 56.287 0.075 0.000 0.834 631 K CB 1.151 33.705 32.500 0.091 0.000 1.112 631 K HN 0.515 nan 8.250 nan 0.000 0.427 632 L N 4.516 125.766 121.223 0.046 0.000 2.325 632 L HA 0.271 4.625 4.340 0.024 0.000 0.284 632 L C -0.600 176.293 176.870 0.039 0.000 1.089 632 L CA -0.978 53.885 54.840 0.037 0.000 0.836 632 L CB 0.142 42.214 42.059 0.020 0.000 1.184 632 L HN 0.495 nan 8.230 nan 0.000 0.444 633 L N 4.335 125.593 121.223 0.059 0.000 2.344 633 L HA 0.581 4.935 4.340 0.024 0.000 0.272 633 L C -0.367 176.531 176.870 0.047 0.000 1.035 633 L CA -0.290 54.575 54.840 0.041 0.000 0.807 633 L CB 1.362 43.485 42.059 0.106 0.000 1.237 633 L HN 0.343 nan 8.230 nan 0.000 0.442 634 Y N -0.887 119.101 120.300 -0.521 0.000 2.840 634 Y HA 0.268 4.832 4.550 0.024 0.000 0.324 634 Y C 0.950 176.103 175.900 -1.245 0.000 1.378 634 Y CA -0.587 57.083 58.100 -0.717 0.000 1.077 634 Y CB 1.390 39.693 38.460 -0.262 0.000 1.361 634 Y HN 0.568 nan 8.280 nan 0.000 0.459 635 S N 0.812 115.516 115.700 -1.659 0.000 2.561 635 S HA 0.197 4.681 4.470 0.024 0.000 0.225 635 S C 0.143 174.395 174.600 -0.580 0.000 0.977 635 S CA 0.562 58.150 58.200 -1.020 0.000 0.926 635 S CB -0.245 62.514 63.200 -0.735 0.000 0.769 635 S HN 0.635 nan 8.310 nan 0.000 0.533 636 R N -1.444 118.791 120.500 -0.441 0.000 2.766 636 R HA 0.607 4.961 4.340 0.024 0.000 0.270 636 R C -0.914 175.365 176.300 -0.035 0.000 1.035 636 R CA -1.117 54.889 56.100 -0.157 0.000 0.911 636 R CB 0.494 30.753 30.300 -0.068 0.000 1.243 636 R HN -0.046 nan 8.270 nan 0.000 0.460 637 M N -0.038 119.553 119.600 -0.015 0.000 2.363 637 M HA 0.536 5.031 4.480 0.024 0.000 0.280 637 M C 0.906 177.225 176.300 0.031 0.000 1.182 637 M CA 0.828 56.131 55.300 0.006 0.000 0.974 637 M CB 0.758 33.354 32.600 -0.007 0.000 1.452 637 M HN 1.062 nan 8.290 nan 0.000 0.507 638 G N 0.855 109.665 108.800 0.018 0.000 2.715 638 G HA2 -0.102 3.873 3.960 0.024 0.000 0.221 638 G HA3 -0.102 3.873 3.960 0.024 0.000 0.221 638 G C -0.952 173.948 174.900 -0.000 0.000 1.204 638 G CA 0.028 45.135 45.100 0.012 0.000 1.063 638 G HN 0.925 nan 8.290 nan 0.000 0.586 639 E N -1.278 118.914 120.200 -0.013 0.000 2.413 639 E HA 0.663 5.027 4.350 0.024 0.000 0.277 639 E C -0.633 175.911 176.600 -0.092 0.000 0.958 639 E CA -0.676 55.695 56.400 -0.048 0.000 0.779 639 E CB 2.464 32.143 29.700 -0.036 0.000 1.278 639 E HN 1.643 nan 8.360 nan 0.000 0.456 640 V N -1.753 118.070 119.914 -0.152 0.000 3.001 640 V HA 0.742 4.876 4.120 0.024 0.000 0.314 640 V C -0.490 175.524 176.094 -0.133 0.000 1.099 640 V CA -0.687 61.486 62.300 -0.212 0.000 0.989 640 V CB 1.736 33.302 31.823 -0.428 0.000 1.040 640 V HN 0.760 nan 8.190 nan 0.000 0.434 641 T N 2.586 117.073 114.554 -0.110 0.000 2.779 641 T HA 0.776 5.140 4.350 0.024 0.000 0.280 641 T C 0.276 174.935 174.700 -0.069 0.000 0.987 641 T CA 0.224 62.281 62.100 -0.072 0.000 0.966 641 T CB 1.352 70.191 68.868 -0.050 0.000 0.933 641 T HN 1.340 nan 8.240 nan 0.000 0.442 642 A N 2.325 125.112 122.820 -0.056 0.000 2.296 642 A HA 0.383 4.717 4.320 0.024 0.000 0.264 642 A C 1.580 179.142 177.584 -0.035 0.000 1.097 642 A CA -0.335 51.673 52.037 -0.047 0.000 0.811 642 A CB 0.051 19.027 19.000 -0.040 0.000 1.072 642 A HN 0.930 nan 8.150 nan 0.000 0.495 643 D N 0.223 120.605 120.400 -0.030 0.000 2.172 643 D HA -0.235 4.419 4.640 0.024 0.000 0.196 643 D C 0.686 176.973 176.300 -0.021 0.000 0.999 643 D CA 1.858 55.843 54.000 -0.024 0.000 0.856 643 D CB -0.302 40.485 40.800 -0.022 0.000 0.934 643 D HN 0.609 nan 8.370 nan 0.000 0.453 644 D N -1.498 118.889 120.400 -0.022 0.000 2.358 644 D HA 0.206 4.861 4.640 0.024 0.000 0.224 644 D C 1.553 177.842 176.300 -0.018 0.000 1.123 644 D CA 0.373 54.362 54.000 -0.019 0.000 0.833 644 D CB -0.125 40.665 40.800 -0.018 0.000 0.946 644 D HN 0.444 nan 8.370 nan 0.000 0.505 645 G N -0.011 108.776 108.800 -0.021 0.000 2.175 645 G HA2 -0.260 3.715 3.960 0.024 0.000 0.244 645 G HA3 -0.260 3.715 3.960 0.024 0.000 0.244 645 G C 0.377 175.264 174.900 -0.022 0.000 0.982 645 G CA 0.193 45.281 45.100 -0.021 0.000 0.641 645 G HN 0.419 nan 8.290 nan 0.000 0.527 646 T N 1.473 116.012 114.554 -0.024 0.000 2.817 646 T HA 0.399 4.764 4.350 0.024 0.000 0.295 646 T C 0.713 175.395 174.700 -0.031 0.000 0.958 646 T CA 0.044 62.130 62.100 -0.024 0.000 1.157 646 T CB 1.997 70.851 68.868 -0.023 0.000 0.898 646 T HN 0.395 nan 8.240 nan 0.000 0.536 647 V N 5.600 125.497 119.914 -0.027 0.000 2.455 647 V HA 0.173 4.307 4.120 0.024 0.000 0.273 647 V C -0.056 176.017 176.094 -0.034 0.000 1.045 647 V CA -0.546 61.735 62.300 -0.033 0.000 0.976 647 V CB 0.752 32.561 31.823 -0.025 0.000 0.993 647 V HN 0.555 nan 8.190 nan 0.000 0.475 648 L N 9.442 130.635 121.223 -0.049 0.000 2.276 648 L HA 0.495 4.849 4.340 0.024 0.000 0.286 648 L C -2.094 174.747 176.870 -0.048 0.000 1.024 648 L CA -2.307 52.503 54.840 -0.049 0.000 0.826 648 L CB 1.579 43.595 42.059 -0.072 0.000 1.211 648 L HN 0.427 nan 8.230 nan 0.000 0.422 649 P HA 0.199 nan 4.420 nan 0.000 0.276 649 P C -0.304 176.987 177.300 -0.015 0.000 1.235 649 P CA -0.130 62.959 63.100 -0.019 0.000 0.772 649 P CB 0.864 32.560 31.700 -0.007 0.000 0.871 650 I N 2.800 123.363 120.570 -0.012 0.000 2.371 650 I HA 0.169 4.354 4.170 0.024 0.000 0.290 650 I C 1.622 177.742 176.117 0.006 0.000 1.028 650 I CA -0.336 60.964 61.300 -0.001 0.000 1.345 650 I CB 1.369 39.378 38.000 0.015 0.000 1.407 650 I HN 0.368 nan 8.210 nan 0.000 0.501 651 A N 5.365 128.192 122.820 0.012 0.000 1.935 651 A HA 0.562 4.896 4.320 0.024 0.000 0.214 651 A C 0.969 178.563 177.584 0.016 0.000 1.178 651 A CA 1.216 53.264 52.037 0.019 0.000 0.640 651 A CB 0.040 19.059 19.000 0.031 0.000 0.825 651 A HN 0.809 nan 8.150 nan 0.000 0.447 652 A N -2.100 120.725 122.820 0.007 0.000 2.566 652 A HA 0.575 4.909 4.320 0.024 0.000 0.290 652 A C -0.071 177.479 177.584 -0.057 0.000 1.071 652 A CA 0.102 52.139 52.037 -0.001 0.000 0.658 652 A CB -0.239 18.784 19.000 0.039 0.000 1.285 652 A HN 0.777 nan 8.150 nan 0.000 0.427 653 T N -1.736 112.770 114.554 -0.081 0.000 2.847 653 T HA 0.560 4.925 4.350 0.024 0.000 0.279 653 T C 0.741 175.395 174.700 -0.075 0.000 0.984 653 T CA -0.146 61.821 62.100 -0.222 0.000 0.988 653 T CB 0.077 68.846 68.868 -0.166 0.000 1.040 653 T HN 0.485 nan 8.240 nan 0.000 0.528 654 F N 0.765 120.730 119.950 0.025 0.000 2.126 654 F HA 0.046 4.588 4.527 0.024 0.000 0.299 654 F C 2.882 178.823 175.800 0.235 0.000 1.096 654 F CA 1.212 59.282 58.000 0.117 0.000 1.255 654 F CB -1.570 37.475 39.000 0.075 0.000 0.997 654 F HN 0.762 nan 8.300 nan 0.000 0.479 655 A N -0.005 122.994 122.820 0.299 0.000 1.970 655 A HA 0.122 4.457 4.320 0.024 0.000 0.216 655 A C 2.565 180.223 177.584 0.122 0.000 1.170 655 A CA 1.340 53.487 52.037 0.183 0.000 0.645 655 A CB -1.454 17.607 19.000 0.101 0.000 0.816 655 A HN 0.385 nan 8.150 nan 0.000 0.447 656 G N -0.738 108.119 108.800 0.096 0.000 2.422 656 G HA2 0.251 4.225 3.960 0.024 0.000 0.218 656 G HA3 0.251 4.225 3.960 0.024 0.000 0.218 656 G C 0.687 175.639 174.900 0.087 0.000 1.140 656 G CA 1.010 46.148 45.100 0.063 0.000 0.775 656 G HN 1.087 nan 8.290 nan 0.000 0.545 657 A N 0.629 123.539 122.820 0.150 0.000 3.030 657 A HA 0.702 5.037 4.320 0.024 0.000 0.335 657 A C -2.658 175.085 177.584 0.265 0.000 1.089 657 A CA -1.138 51.002 52.037 0.171 0.000 0.807 657 A CB 1.180 20.277 19.000 0.163 0.000 1.099 657 A HN 0.086 nan 8.150 nan 0.000 0.474 658 P HA -0.017 nan 4.420 nan 0.000 0.270 658 P C 1.398 178.535 177.300 -0.272 0.000 1.221 658 P CA 0.591 63.644 63.100 -0.078 0.000 0.788 658 P CB 0.713 32.353 31.700 -0.100 0.000 0.904 659 S N 1.051 116.214 115.700 -0.895 0.000 2.440 659 S HA -0.173 4.312 4.470 0.024 0.000 0.238 659 S C 1.752 176.208 174.600 -0.240 0.000 1.010 659 S CA 1.159 58.992 58.200 -0.611 0.000 0.972 659 S CB -1.346 61.463 63.200 -0.651 0.000 0.774 659 S HN 0.334 nan 8.310 nan 0.000 0.501 660 L N 1.897 122.986 121.223 -0.223 0.000 2.129 660 L HA -0.117 4.237 4.340 0.024 0.000 0.212 660 L C 2.957 179.662 176.870 -0.276 0.000 1.087 660 L CA 1.691 56.399 54.840 -0.220 0.000 0.757 660 L CB -1.506 40.396 42.059 -0.262 0.000 0.896 660 L HN 0.634 nan 8.230 nan 0.000 0.434 661 T N -3.150 111.308 114.554 -0.161 0.000 3.129 661 T HA 0.206 4.571 4.350 0.024 0.000 0.251 661 T C 0.392 175.184 174.700 0.153 0.000 1.117 661 T CA 0.172 62.260 62.100 -0.019 0.000 1.034 661 T CB -0.474 68.470 68.868 0.126 0.000 0.968 661 T HN 0.173 nan 8.240 nan 0.000 0.526 662 V N -2.673 117.293 119.914 0.087 0.000 3.113 662 V HA 0.586 4.720 4.120 0.024 0.000 0.316 662 V C -0.166 175.973 176.094 0.076 0.000 1.125 662 V CA -0.968 61.406 62.300 0.122 0.000 1.026 662 V CB 2.120 34.028 31.823 0.142 0.000 1.080 662 V HN 0.002 nan 8.190 nan 0.000 0.444 663 D N 0.752 121.197 120.400 0.074 0.000 2.392 663 D HA 0.524 5.178 4.640 0.024 0.000 0.206 663 D C 0.517 176.799 176.300 -0.029 0.000 1.046 663 D CA 1.367 55.383 54.000 0.027 0.000 0.865 663 D CB 1.583 42.421 40.800 0.063 0.000 0.969 663 D HN 0.983 nan 8.370 nan 0.000 0.509 664 A N 0.127 122.948 122.820 0.001 0.000 2.601 664 A HA 0.546 4.881 4.320 0.024 0.000 0.291 664 A C -1.651 175.945 177.584 0.021 0.000 1.075 664 A CA -0.545 51.479 52.037 -0.022 0.000 0.671 664 A CB 1.485 20.459 19.000 -0.045 0.000 1.277 664 A HN -0.110 nan 8.150 nan 0.000 0.417 665 V N 1.190 121.106 119.914 0.004 0.000 2.577 665 V HA 0.549 4.683 4.120 0.024 0.000 0.303 665 V C -0.694 175.396 176.094 -0.006 0.000 1.042 665 V CA -0.203 62.110 62.300 0.022 0.000 0.872 665 V CB 1.510 33.358 31.823 0.042 0.000 0.998 665 V HN 0.703 nan 8.190 nan 0.000 0.423 666 I N 4.180 124.755 120.570 0.009 0.000 2.474 666 I HA 0.575 4.759 4.170 0.024 0.000 0.294 666 I C -0.814 175.325 176.117 0.035 0.000 1.005 666 I CA -1.009 60.322 61.300 0.051 0.000 1.113 666 I CB 2.272 40.335 38.000 0.104 0.000 1.289 666 I HN 0.268 nan 8.210 nan 0.000 0.436 667 V N 7.357 127.311 119.914 0.067 0.000 2.325 667 V HA 0.314 4.448 4.120 0.024 0.000 0.280 667 V C -2.091 174.059 176.094 0.095 0.000 1.016 667 V CA -1.545 60.782 62.300 0.044 0.000 0.818 667 V CB 1.280 33.103 31.823 0.000 0.000 1.019 667 V HN 0.578 nan 8.190 nan 0.000 0.434 668 P HA 0.196 nan 4.420 nan 0.000 0.274 668 P C 0.159 177.473 177.300 0.024 0.000 1.256 668 P CA -0.253 62.863 63.100 0.026 0.000 0.795 668 P CB 1.120 32.829 31.700 0.015 0.000 1.038 669 C N 0.005 119.295 119.300 -0.017 0.000 2.560 669 C HA 0.763 5.238 4.460 0.024 0.000 0.334 669 C C 1.169 176.161 174.990 0.002 0.000 1.404 669 C CA 1.483 60.497 59.018 -0.007 0.000 2.410 669 C CB -0.551 27.167 27.740 -0.037 0.000 2.268 669 C HN 0.928 nan 8.230 nan 0.000 0.673 670 G N 1.041 109.844 108.800 0.004 0.000 2.292 670 G HA2 -0.018 3.957 3.960 0.024 0.000 0.194 670 G HA3 -0.018 3.957 3.960 0.024 0.000 0.194 670 G C -0.733 174.174 174.900 0.012 0.000 1.329 670 G CA -0.033 45.069 45.100 0.004 0.000 1.100 670 G HN 1.021 nan 8.290 nan 0.000 0.470 671 N N 1.443 120.156 118.700 0.021 0.000 2.739 671 N HA 0.163 4.918 4.740 0.024 0.000 0.266 671 N C 1.331 176.869 175.510 0.047 0.000 1.168 671 N CA -0.640 52.425 53.050 0.026 0.000 1.055 671 N CB -0.104 38.400 38.487 0.028 0.000 1.393 671 N HN 0.367 nan 8.380 nan 0.000 0.514 672 I N 2.122 122.709 120.570 0.028 0.000 2.454 672 I HA -0.201 3.983 4.170 0.024 0.000 0.254 672 I C 2.408 178.521 176.117 -0.007 0.000 1.156 672 I CA 0.674 61.989 61.300 0.025 0.000 1.433 672 I CB -1.395 36.584 38.000 -0.035 0.000 1.082 672 I HN 0.499 nan 8.210 nan 0.000 0.432 673 A N 0.776 123.587 122.820 -0.015 0.000 1.978 673 A HA -0.283 4.052 4.320 0.024 0.000 0.220 673 A C 2.077 179.676 177.584 0.025 0.000 1.170 673 A CA 2.094 54.120 52.037 -0.019 0.000 0.636 673 A CB -0.720 18.270 19.000 -0.016 0.000 0.810 673 A HN 0.427 nan 8.150 nan 0.000 0.448 674 D N 0.216 120.656 120.400 0.067 0.000 2.182 674 D HA -0.146 4.508 4.640 0.024 0.000 0.201 674 D C 1.491 177.880 176.300 0.148 0.000 0.986 674 D CA 1.739 55.808 54.000 0.115 0.000 0.847 674 D CB -0.188 40.710 40.800 0.163 0.000 0.942 674 D HN 0.653 nan 8.370 nan 0.000 0.467 675 I N -4.306 116.368 120.570 0.173 0.000 4.240 675 I HA 0.498 4.683 4.170 0.024 0.000 0.331 675 I C 1.759 178.008 176.117 0.220 0.000 1.381 675 I CA -0.149 61.286 61.300 0.225 0.000 1.136 675 I CB 0.262 38.447 38.000 0.309 0.000 1.137 675 I HN -0.090 nan 8.210 nan 0.000 0.411 676 A N 1.348 124.200 122.820 0.053 0.000 2.015 676 A HA -0.120 4.214 4.320 0.024 0.000 0.219 676 A C 1.802 179.369 177.584 -0.028 0.000 1.163 676 A CA 1.759 53.707 52.037 -0.148 0.000 0.646 676 A CB -0.445 18.380 19.000 -0.292 0.000 0.806 676 A HN 0.470 nan 8.150 nan 0.000 0.448 677 D N -0.447 119.964 120.400 0.018 0.000 2.350 677 D HA -0.027 4.628 4.640 0.024 0.000 0.213 677 D C 0.203 176.537 176.300 0.057 0.000 1.031 677 D CA -0.018 53.997 54.000 0.025 0.000 0.861 677 D CB -0.134 40.676 40.800 0.016 0.000 0.926 677 D HN 0.330 nan 8.370 nan 0.000 0.520 678 N N 1.142 119.897 118.700 0.092 0.000 2.431 678 N HA 0.004 4.759 4.740 0.024 0.000 0.265 678 N C 1.261 176.828 175.510 0.095 0.000 1.184 678 N CA 0.057 53.167 53.050 0.100 0.000 0.943 678 N CB 1.450 40.023 38.487 0.143 0.000 1.080 678 N HN -0.037 nan 8.380 nan 0.000 0.477 679 G N 3.229 112.077 108.800 0.079 0.000 2.422 679 G HA2 -0.237 3.738 3.960 0.024 0.000 0.218 679 G HA3 -0.237 3.738 3.960 0.024 0.000 0.218 679 G C 0.992 175.952 174.900 0.100 0.000 1.146 679 G CA 0.516 45.663 45.100 0.078 0.000 0.769 679 G HN 0.677 nan 8.290 nan 0.000 0.547 680 D N 1.129 121.596 120.400 0.112 0.000 2.117 680 D HA -0.074 4.580 4.640 0.024 0.000 0.197 680 D C 2.838 179.156 176.300 0.031 0.000 0.987 680 D CA 1.162 55.257 54.000 0.158 0.000 0.829 680 D CB -0.137 40.826 40.800 0.271 0.000 0.961 680 D HN 0.351 nan 8.370 nan 0.000 0.460 681 A N 1.728 124.428 122.820 -0.199 0.000 1.898 681 A HA -0.178 4.156 4.320 0.024 0.000 0.216 681 A C 2.026 179.422 177.584 -0.313 0.000 1.181 681 A CA 1.141 52.822 52.037 -0.593 0.000 0.620 681 A CB -0.428 18.219 19.000 -0.588 0.000 0.819 681 A HN 0.149 nan 8.150 nan 0.000 0.442 682 N N -1.472 117.197 118.700 -0.051 0.000 2.120 682 N HA -0.182 4.573 4.740 0.024 0.000 0.188 682 N C 1.711 177.212 175.510 -0.015 0.000 1.024 682 N CA 1.775 54.834 53.050 0.015 0.000 0.852 682 N CB -0.466 38.102 38.487 0.135 0.000 1.003 682 N HN 0.637 nan 8.380 nan 0.000 0.424 683 Y N 0.932 121.204 120.300 -0.047 0.000 2.224 683 Y HA -0.246 4.319 4.550 0.024 0.000 0.289 683 Y C 2.315 178.169 175.900 -0.078 0.000 1.146 683 Y CA 1.196 59.265 58.100 -0.053 0.000 1.182 683 Y CB -0.594 37.843 38.460 -0.038 0.000 0.983 683 Y HN 0.040 nan 8.280 nan 0.000 0.524 684 Y N 0.200 120.388 120.300 -0.187 0.000 2.151 684 Y HA -0.308 4.257 4.550 0.024 0.000 0.284 684 Y C 2.113 177.813 175.900 -0.333 0.000 1.166 684 Y CA 2.220 60.167 58.100 -0.254 0.000 1.163 684 Y CB -0.430 37.867 38.460 -0.273 0.000 0.974 684 Y HN 0.136 nan 8.280 nan 0.000 0.511 685 L N -1.308 119.830 121.223 -0.142 0.000 2.109 685 L HA -0.210 4.144 4.340 0.024 0.000 0.207 685 L C 2.374 179.122 176.870 -0.204 0.000 1.086 685 L CA 1.120 55.858 54.840 -0.170 0.000 0.760 685 L CB -0.526 41.394 42.059 -0.231 0.000 0.910 685 L HN 0.261 nan 8.230 nan 0.000 0.437 686 M N -0.370 119.057 119.600 -0.288 0.000 2.117 686 M HA -0.216 4.278 4.480 0.024 0.000 0.262 686 M C 2.276 178.328 176.300 -0.414 0.000 1.065 686 M CA 1.718 56.844 55.300 -0.290 0.000 1.114 686 M CB -0.360 32.066 32.600 -0.290 0.000 1.361 686 M HN 0.233 nan 8.290 nan 0.000 0.408 687 E N 0.664 120.421 120.200 -0.738 0.000 2.047 687 E HA -0.191 4.173 4.350 0.024 0.000 0.191 687 E C 2.016 178.235 176.600 -0.636 0.000 0.987 687 E CA 1.335 57.250 56.400 -0.809 0.000 0.799 687 E CB -0.008 29.142 29.700 -0.916 0.000 0.752 687 E HN 0.456 nan 8.360 nan 0.000 0.449 688 A N 0.431 123.001 122.820 -0.416 0.000 1.908 688 A HA -0.230 4.104 4.320 0.024 0.000 0.218 688 A C 2.075 179.544 177.584 -0.191 0.000 1.181 688 A CA 1.659 53.548 52.037 -0.247 0.000 0.627 688 A CB -1.026 17.890 19.000 -0.141 0.000 0.818 688 A HN 0.587 nan 8.150 nan 0.000 0.445 689 Y N 0.528 120.665 120.300 -0.271 0.000 2.145 689 Y HA -0.216 4.348 4.550 0.024 0.000 0.286 689 Y C 2.414 178.190 175.900 -0.207 0.000 1.145 689 Y CA 2.398 60.371 58.100 -0.211 0.000 1.148 689 Y CB -0.215 38.136 38.460 -0.182 0.000 0.981 689 Y HN 0.313 nan 8.280 nan 0.000 0.507 690 K N -0.587 119.691 120.400 -0.203 0.000 2.147 690 K HA -0.204 4.131 4.320 0.024 0.000 0.205 690 K C 0.838 177.330 176.600 -0.180 0.000 1.049 690 K CA 1.845 57.999 56.287 -0.220 0.000 0.936 690 K CB -0.434 31.933 32.500 -0.221 0.000 0.722 690 K HN 0.592 nan 8.250 nan 0.000 0.446 691 H N 0.575 119.523 119.070 -0.203 0.000 2.538 691 H HA 0.181 4.751 4.556 0.024 0.000 0.286 691 H C -0.003 175.167 175.328 -0.264 0.000 1.035 691 H CA -0.012 55.915 56.048 -0.202 0.000 1.169 691 H CB 0.061 29.702 29.762 -0.202 0.000 1.417 691 H HN 0.115 nan 8.280 nan 0.000 0.567 692 L N -0.097 120.980 121.223 -0.243 0.000 4.232 692 L HA -0.288 4.066 4.340 0.024 0.000 0.415 692 L C -0.245 176.371 176.870 -0.424 0.000 1.168 692 L CA 0.665 55.273 54.840 -0.386 0.000 0.966 692 L CB -1.689 40.122 42.059 -0.413 0.000 2.052 692 L HN 0.325 nan 8.230 nan 0.000 0.887 693 K N 0.828 121.041 120.400 -0.311 0.000 2.144 693 K HA 0.448 4.783 4.320 0.024 0.000 0.270 693 K C -2.106 174.356 176.600 -0.230 0.000 1.005 693 K CA -1.764 54.358 56.287 -0.275 0.000 0.932 693 K CB 0.684 33.076 32.500 -0.180 0.000 1.021 693 K HN -0.205 nan 8.250 nan 0.000 0.462 694 P HA 0.068 nan 4.420 nan 0.000 0.268 694 P C -0.761 176.468 177.300 -0.118 0.000 1.204 694 P CA 0.332 63.328 63.100 -0.173 0.000 0.768 694 P CB 0.455 32.053 31.700 -0.171 0.000 0.842 695 I N 1.710 122.224 120.570 -0.094 0.000 2.545 695 I HA 0.621 4.805 4.170 0.024 0.000 0.292 695 I C -0.382 175.685 176.117 -0.084 0.000 1.040 695 I CA -0.836 60.427 61.300 -0.062 0.000 1.068 695 I CB 2.222 40.212 38.000 -0.017 0.000 1.251 695 I HN 0.258 nan 8.210 nan 0.000 0.424 696 A N 7.542 130.317 122.820 -0.075 0.000 2.343 696 A HA 0.862 5.197 4.320 0.024 0.000 0.308 696 A C -1.125 176.545 177.584 0.142 0.000 1.092 696 A CA -0.431 51.541 52.037 -0.109 0.000 0.751 696 A CB 0.887 19.674 19.000 -0.355 0.000 1.203 696 A HN 0.646 nan 8.150 nan 0.000 0.452 697 L N 2.206 123.571 121.223 0.237 0.000 2.333 697 L HA 0.758 5.112 4.340 0.024 0.000 0.280 697 L C 0.314 177.380 176.870 0.327 0.000 1.004 697 L CA -0.592 54.402 54.840 0.257 0.000 0.820 697 L CB 1.962 44.121 42.059 0.167 0.000 1.247 697 L HN 0.762 nan 8.230 nan 0.000 0.416 698 A N 2.124 125.043 122.820 0.164 0.000 2.324 698 A HA 0.837 5.171 4.320 0.024 0.000 0.330 698 A C 0.687 178.252 177.584 -0.031 0.000 1.165 698 A CA 0.260 52.258 52.037 -0.064 0.000 0.813 698 A CB 1.196 20.002 19.000 -0.323 0.000 1.197 698 A HN 0.974 nan 8.150 nan 0.000 0.484 699 G N 1.643 110.413 108.800 -0.050 0.000 2.672 699 G HA2 -0.368 3.607 3.960 0.024 0.000 0.324 699 G HA3 -0.368 3.607 3.960 0.024 0.000 0.324 699 G C 0.624 175.521 174.900 -0.004 0.000 1.286 699 G CA 0.912 45.993 45.100 -0.032 0.000 1.004 699 G HN 0.732 nan 8.290 nan 0.000 0.548 700 D N 1.356 121.751 120.400 -0.008 0.000 2.309 700 D HA 0.111 4.765 4.640 0.024 0.000 0.212 700 D C 2.624 178.926 176.300 0.003 0.000 0.968 700 D CA 1.411 55.404 54.000 -0.013 0.000 0.882 700 D CB -0.576 40.211 40.800 -0.022 0.000 0.918 700 D HN 0.699 nan 8.370 nan 0.000 0.503 701 A N 0.795 123.653 122.820 0.063 0.000 2.125 701 A HA -0.157 4.177 4.320 0.024 0.000 0.219 701 A C 2.053 179.745 177.584 0.179 0.000 1.156 701 A CA 0.656 52.798 52.037 0.175 0.000 0.671 701 A CB -0.378 18.738 19.000 0.193 0.000 0.794 701 A HN 0.140 nan 8.150 nan 0.000 0.459 702 R N 0.006 120.560 120.500 0.091 0.000 2.293 702 R HA -0.092 4.262 4.340 0.024 0.000 0.219 702 R C 1.614 177.928 176.300 0.024 0.000 1.091 702 R CA 1.179 57.321 56.100 0.070 0.000 1.004 702 R CB -0.184 30.142 30.300 0.044 0.000 0.865 702 R HN 0.545 nan 8.270 nan 0.000 0.469 703 K N -0.168 120.204 120.400 -0.046 0.000 2.209 703 K HA -0.119 4.216 4.320 0.024 0.000 0.204 703 K C 1.342 177.848 176.600 -0.156 0.000 1.048 703 K CA 1.107 57.310 56.287 -0.140 0.000 0.940 703 K CB -0.108 32.243 32.500 -0.248 0.000 0.729 703 K HN 0.122 nan 8.250 nan 0.000 0.451 704 F N 2.055 121.982 119.950 -0.039 0.000 2.546 704 F HA -0.082 4.459 4.527 0.024 0.000 0.298 704 F C 1.848 177.602 175.800 -0.077 0.000 1.120 704 F CA 0.994 58.959 58.000 -0.057 0.000 1.456 704 F CB -0.215 38.751 39.000 -0.057 0.000 1.088 704 F HN -0.058 nan 8.300 nan 0.000 0.572 705 K N 0.010 120.459 120.400 0.081 0.000 2.152 705 K HA -0.181 4.153 4.320 0.024 0.000 0.206 705 K C 2.328 178.902 176.600 -0.042 0.000 1.048 705 K CA 1.165 57.451 56.287 -0.001 0.000 0.933 705 K CB -0.410 32.087 32.500 -0.005 0.000 0.721 705 K HN 0.266 nan 8.250 nan 0.000 0.447 706 A N 0.985 123.787 122.820 -0.031 0.000 1.930 706 A HA -0.135 4.199 4.320 0.024 0.000 0.217 706 A C 2.149 179.704 177.584 -0.048 0.000 1.175 706 A CA 1.865 53.875 52.037 -0.044 0.000 0.627 706 A CB -0.837 18.137 19.000 -0.043 0.000 0.815 706 A HN 0.272 nan 8.150 nan 0.000 0.443 707 T N 0.956 115.499 114.554 -0.018 0.000 2.759 707 T HA -0.124 4.240 4.350 0.024 0.000 0.269 707 T C 1.455 176.091 174.700 -0.106 0.000 1.042 707 T CA 1.594 63.684 62.100 -0.016 0.000 1.140 707 T CB -0.552 68.357 68.868 0.068 0.000 0.864 707 T HN 0.731 nan 8.240 nan 0.000 0.455 708 I N -1.731 118.724 120.570 -0.192 0.000 3.891 708 I HA 0.460 4.645 4.170 0.024 0.000 0.331 708 I C 0.196 176.055 176.117 -0.429 0.000 1.406 708 I CA -0.545 60.494 61.300 -0.435 0.000 1.139 708 I CB -0.383 37.204 38.000 -0.688 0.000 1.056 708 I HN -0.052 nan 8.210 nan 0.000 0.399 709 K N 1.335 121.607 120.400 -0.214 0.000 3.003 709 K HA -0.159 4.176 4.320 0.024 0.000 0.257 709 K C -0.160 176.367 176.600 -0.122 0.000 0.958 709 K CA 0.511 56.717 56.287 -0.136 0.000 0.707 709 K CB -1.276 31.164 32.500 -0.101 0.000 1.279 709 K HN 0.521 nan 8.250 nan 0.000 0.479 710 I N 0.785 121.275 120.570 -0.133 0.000 2.472 710 I HA 0.178 4.363 4.170 0.024 0.000 0.290 710 I C 1.015 177.111 176.117 -0.034 0.000 1.016 710 I CA -0.086 61.170 61.300 -0.073 0.000 1.348 710 I CB 1.159 39.115 38.000 -0.074 0.000 1.417 710 I HN 0.255 nan 8.210 nan 0.000 0.521 711 A N 4.197 127.011 122.820 -0.011 0.000 2.492 711 A HA -0.054 4.280 4.320 0.024 0.000 0.236 711 A C 1.257 178.838 177.584 -0.005 0.000 1.078 711 A CA 0.039 52.073 52.037 -0.005 0.000 0.773 711 A CB 0.059 19.061 19.000 0.004 0.000 1.023 711 A HN 0.873 nan 8.150 nan 0.000 0.504 712 D N -0.244 120.154 120.400 -0.005 0.000 2.117 712 D HA -0.133 4.521 4.640 0.024 0.000 0.197 712 D C 1.891 178.192 176.300 0.002 0.000 0.987 712 D CA 1.718 55.716 54.000 -0.003 0.000 0.829 712 D CB 0.091 40.889 40.800 -0.004 0.000 0.961 712 D HN 0.711 nan 8.370 nan 0.000 0.460 713 Q N -0.463 119.339 119.800 0.004 0.000 2.230 713 Q HA 0.159 4.514 4.340 0.024 0.000 0.202 713 Q C 1.026 177.031 176.000 0.009 0.000 0.963 713 Q CA 0.698 56.505 55.803 0.006 0.000 0.866 713 Q CB 0.464 29.206 28.738 0.006 0.000 0.931 713 Q HN 0.285 nan 8.270 nan 0.000 0.452 714 G N 1.214 110.020 108.800 0.009 0.000 2.434 714 G HA2 -0.090 3.885 3.960 0.024 0.000 0.671 714 G HA3 -0.090 3.885 3.960 0.024 0.000 0.671 714 G C -1.474 173.434 174.900 0.013 0.000 1.280 714 G CA -0.409 44.698 45.100 0.012 0.000 0.975 714 G HN 0.239 nan 8.290 nan 0.000 0.510 715 E N -1.173 119.035 120.200 0.014 0.000 2.380 715 E HA 0.527 4.891 4.350 0.024 0.000 0.281 715 E C -0.819 175.781 176.600 -0.000 0.000 0.999 715 E CA -0.935 55.474 56.400 0.015 0.000 0.800 715 E CB 1.304 31.026 29.700 0.037 0.000 1.228 715 E HN 0.591 nan 8.360 nan 0.000 0.436 716 E N 0.576 120.768 120.200 -0.013 0.000 2.417 716 E HA 0.297 4.662 4.350 0.024 0.000 0.261 716 E C 0.665 177.228 176.600 -0.062 0.000 1.000 716 E CA 1.341 57.718 56.400 -0.038 0.000 0.919 716 E CB 0.637 30.313 29.700 -0.040 0.000 0.955 716 E HN 0.865 nan 8.360 nan 0.000 0.455 717 G N 3.354 112.104 108.800 -0.083 0.000 2.231 717 G HA2 -0.187 3.788 3.960 0.024 0.000 0.206 717 G HA3 -0.187 3.788 3.960 0.024 0.000 0.206 717 G C 0.027 174.878 174.900 -0.082 0.000 0.996 717 G CA -0.578 44.453 45.100 -0.116 0.000 0.645 717 G HN 0.428 nan 8.290 nan 0.000 0.498 718 I N 2.382 122.926 120.570 -0.043 0.000 2.354 718 I HA 0.481 4.665 4.170 0.024 0.000 0.286 718 I C 0.443 176.526 176.117 -0.057 0.000 1.007 718 I CA -1.246 60.038 61.300 -0.027 0.000 1.167 718 I CB 1.200 39.212 38.000 0.021 0.000 1.320 718 I HN -0.090 nan 8.210 nan 0.000 0.458 719 V N 7.409 127.253 119.914 -0.116 0.000 2.461 719 V HA 0.374 4.509 4.120 0.024 0.000 0.275 719 V C 0.283 176.343 176.094 -0.057 0.000 1.047 719 V CA -0.440 61.751 62.300 -0.182 0.000 0.955 719 V CB 1.019 32.575 31.823 -0.444 0.000 0.988 719 V HN 0.863 nan 8.190 nan 0.000 0.471 720 E N 4.282 124.522 120.200 0.067 0.000 2.343 720 E HA 0.879 5.244 4.350 0.024 0.000 0.278 720 E C -0.942 175.802 176.600 0.240 0.000 0.910 720 E CA -0.938 55.583 56.400 0.202 0.000 0.757 720 E CB 2.586 32.353 29.700 0.112 0.000 1.218 720 E HN 0.780 nan 8.360 nan 0.000 0.435 721 A N 1.910 124.884 122.820 0.256 0.000 2.564 721 A HA 0.380 4.714 4.320 0.024 0.000 0.291 721 A C -0.662 176.935 177.584 0.022 0.000 1.102 721 A CA -0.606 51.516 52.037 0.141 0.000 0.660 721 A CB 1.142 20.276 19.000 0.223 0.000 1.283 721 A HN 0.594 nan 8.150 nan 0.000 0.430 722 D N 0.373 120.763 120.400 -0.018 0.000 2.224 722 D HA 0.103 4.758 4.640 0.024 0.000 0.205 722 D C 0.972 177.206 176.300 -0.110 0.000 0.965 722 D CA 2.107 56.078 54.000 -0.047 0.000 0.852 722 D CB 0.202 40.983 40.800 -0.032 0.000 0.947 722 D HN 0.753 nan 8.370 nan 0.000 0.494 723 S N -1.372 114.220 115.700 -0.179 0.000 2.607 723 S HA 0.653 5.138 4.470 0.024 0.000 0.273 723 S C -0.983 173.301 174.600 -0.526 0.000 1.148 723 S CA -0.808 57.228 58.200 -0.272 0.000 0.833 723 S CB 2.002 65.104 63.200 -0.164 0.000 1.130 723 S HN -0.034 nan 8.310 nan 0.000 0.470 724 A N 2.285 124.734 122.820 -0.617 0.000 3.004 724 A HA 0.553 4.887 4.320 0.024 0.000 0.286 724 A C 0.045 177.479 177.584 -0.249 0.000 1.632 724 A CA -0.268 51.277 52.037 -0.820 0.000 1.339 724 A CB -1.411 17.242 19.000 -0.579 0.000 1.136 724 A HN 0.858 nan 8.150 nan 0.000 0.577 725 D N 0.041 120.370 120.400 -0.119 0.000 2.784 725 D HA 0.549 5.204 4.640 0.024 0.000 0.256 725 D C 1.322 177.661 176.300 0.065 0.000 1.129 725 D CA 0.101 54.094 54.000 -0.013 0.000 1.102 725 D CB -0.288 40.492 40.800 -0.034 0.000 1.330 725 D HN 0.241 nan 8.370 nan 0.000 0.626 726 G N 0.293 109.121 108.800 0.047 0.000 3.665 726 G HA2 -0.429 3.545 3.960 0.024 0.000 0.251 726 G HA3 -0.429 3.545 3.960 0.024 0.000 0.251 726 G C 1.424 176.371 174.900 0.079 0.000 0.940 726 G CA 3.260 48.392 45.100 0.053 0.000 0.741 726 G HN 0.942 nan 8.290 nan 0.000 1.302 727 S N -0.213 115.536 115.700 0.082 0.000 2.447 727 S HA 0.002 4.486 4.470 0.024 0.000 0.233 727 S C 2.128 176.796 174.600 0.113 0.000 1.006 727 S CA 1.458 59.704 58.200 0.076 0.000 0.957 727 S CB -0.349 62.885 63.200 0.057 0.000 0.773 727 S HN 0.538 nan 8.310 nan 0.000 0.507 728 F N 2.304 122.251 119.950 -0.004 0.000 2.069 728 F HA -0.066 4.476 4.527 0.024 0.000 0.298 728 F C 2.258 178.053 175.800 -0.007 0.000 1.113 728 F CA 1.860 59.857 58.000 -0.005 0.000 1.214 728 F CB -0.265 38.733 39.000 -0.003 0.000 0.978 728 F HN 0.170 nan 8.300 nan 0.000 0.474 729 M N 0.210 119.936 119.600 0.210 0.000 2.319 729 M HA -0.118 4.376 4.480 0.024 0.000 0.265 729 M C 1.513 177.810 176.300 -0.005 0.000 1.068 729 M CA 1.412 56.760 55.300 0.080 0.000 1.118 729 M CB -1.355 31.326 32.600 0.135 0.000 1.395 729 M HN 0.185 nan 8.290 nan 0.000 0.435 730 D N 0.126 120.532 120.400 0.009 0.000 2.144 730 D HA -0.131 4.523 4.640 0.024 0.000 0.200 730 D C 1.890 178.165 176.300 -0.042 0.000 0.978 730 D CA 1.039 55.033 54.000 -0.010 0.000 0.833 730 D CB -0.034 40.770 40.800 0.006 0.000 0.961 730 D HN 0.446 nan 8.370 nan 0.000 0.470 731 E N 0.353 120.513 120.200 -0.067 0.000 2.051 731 E HA -0.125 4.240 4.350 0.024 0.000 0.192 731 E C 1.990 178.507 176.600 -0.139 0.000 0.991 731 E CA 0.340 56.680 56.400 -0.100 0.000 0.799 731 E CB -0.058 29.569 29.700 -0.123 0.000 0.748 731 E HN 0.177 nan 8.360 nan 0.000 0.449 732 L N 1.074 122.175 121.223 -0.203 0.000 2.046 732 L HA -0.170 4.184 4.340 0.024 0.000 0.208 732 L C 2.090 178.887 176.870 -0.121 0.000 1.077 732 L CA 1.619 56.336 54.840 -0.206 0.000 0.747 732 L CB -0.527 41.362 42.059 -0.284 0.000 0.896 732 L HN 0.245 nan 8.230 nan 0.000 0.432 733 L N -0.563 120.609 121.223 -0.085 0.000 2.141 733 L HA -0.194 4.161 4.340 0.024 0.000 0.209 733 L C 2.442 179.285 176.870 -0.044 0.000 1.094 733 L CA 1.380 56.189 54.840 -0.052 0.000 0.763 733 L CB -0.687 41.352 42.059 -0.033 0.000 0.908 733 L HN 0.258 nan 8.230 nan 0.000 0.437 734 T N 0.108 114.633 114.554 -0.050 0.000 2.737 734 T HA -0.127 4.238 4.350 0.024 0.000 0.265 734 T C 1.950 176.619 174.700 -0.051 0.000 1.038 734 T CA 1.148 63.224 62.100 -0.039 0.000 1.144 734 T CB -0.181 68.663 68.868 -0.039 0.000 0.866 734 T HN 0.187 nan 8.240 nan 0.000 0.434 735 L N 0.400 121.574 121.223 -0.083 0.000 2.083 735 L HA -0.065 4.290 4.340 0.024 0.000 0.209 735 L C 2.664 179.470 176.870 -0.106 0.000 1.083 735 L CA 1.241 56.013 54.840 -0.113 0.000 0.752 735 L CB -0.553 41.418 42.059 -0.147 0.000 0.899 735 L HN 0.310 nan 8.230 nan 0.000 0.433 736 M N -0.804 118.749 119.600 -0.078 0.000 2.229 736 M HA -0.141 4.354 4.480 0.024 0.000 0.264 736 M C 2.428 178.731 176.300 0.006 0.000 1.063 736 M CA 1.571 56.844 55.300 -0.046 0.000 1.114 736 M CB -0.483 32.098 32.600 -0.032 0.000 1.387 736 M HN 0.304 nan 8.290 nan 0.000 0.420 737 A N 0.315 123.139 122.820 0.007 0.000 2.015 737 A HA 0.103 4.437 4.320 0.024 0.000 0.219 737 A C 2.182 179.810 177.584 0.073 0.000 1.163 737 A CA 1.556 53.617 52.037 0.040 0.000 0.646 737 A CB -0.572 18.444 19.000 0.027 0.000 0.806 737 A HN 0.484 nan 8.150 nan 0.000 0.448 738 A N -2.487 120.356 122.820 0.039 0.000 2.251 738 A HA 0.325 4.659 4.320 0.024 0.000 0.209 738 A C 0.971 178.597 177.584 0.071 0.000 1.187 738 A CA 1.319 53.392 52.037 0.061 0.000 0.823 738 A CB -0.491 18.499 19.000 -0.015 0.000 0.846 738 A HN 0.959 nan 8.150 nan 0.000 0.486 739 H N -1.444 117.579 119.070 -0.078 0.000 4.856 739 H HA -0.194 4.376 4.556 0.024 0.000 0.059 739 H C 0.055 175.182 175.328 -0.335 0.000 0.596 739 H CA 2.380 58.366 56.048 -0.104 0.000 0.946 739 H CB -0.575 29.234 29.762 0.078 0.000 0.453 739 H HN 0.455 nan 8.280 nan 0.000 0.801 740 R N -0.254 119.723 120.500 -0.871 0.000 2.867 740 R HA 0.614 4.969 4.340 0.024 0.000 0.268 740 R C -0.671 174.782 176.300 -1.411 0.000 1.014 740 R CA -0.327 55.004 56.100 -1.283 0.000 0.946 740 R CB 1.657 30.930 30.300 -1.711 0.000 1.208 740 R HN 0.092 nan 8.270 nan 0.000 0.477 741 V N 2.512 121.817 119.914 -1.016 0.000 2.221 741 V HA 0.103 4.237 4.120 0.024 0.000 0.258 741 V C 0.638 176.335 176.094 -0.661 0.000 1.179 741 V CA -0.403 61.469 62.300 -0.714 0.000 1.022 741 V CB -0.333 31.221 31.823 -0.449 0.000 1.228 741 V HN 0.707 nan 8.190 nan 0.000 0.487 742 W N 1.625 122.653 121.300 -0.452 0.000 2.392 742 W HA -0.170 4.504 4.660 0.024 0.000 0.279 742 W C 2.533 178.836 176.519 -0.360 0.000 1.225 742 W CA 0.817 57.800 57.345 -0.603 0.000 1.233 742 W CB -0.478 28.238 29.460 -1.240 0.000 1.122 742 W HN 0.650 nan 8.180 nan 0.000 0.561 743 S N 0.882 116.533 115.700 -0.081 0.000 2.442 743 S HA -0.195 4.290 4.470 0.024 0.000 0.236 743 S C 1.736 176.301 174.600 -0.060 0.000 1.007 743 S CA 1.033 59.207 58.200 -0.042 0.000 0.965 743 S CB -0.489 62.686 63.200 -0.042 0.000 0.773 743 S HN 0.404 nan 8.310 nan 0.000 0.504 744 R N 0.688 121.111 120.500 -0.128 0.000 2.307 744 R HA 0.229 4.583 4.340 0.024 0.000 0.199 744 R C 1.785 178.021 176.300 -0.107 0.000 1.000 744 R CA 0.362 56.369 56.100 -0.154 0.000 1.023 744 R CB -0.398 29.705 30.300 -0.330 0.000 0.908 744 R HN 0.495 nan 8.270 nan 0.000 0.473 745 I N 1.908 122.453 120.570 -0.041 0.000 2.151 745 I HA -0.250 3.935 4.170 0.024 0.000 0.243 745 I C -0.744 175.400 176.117 0.044 0.000 1.080 745 I CA 1.444 62.763 61.300 0.031 0.000 1.339 745 I CB -1.078 36.981 38.000 0.100 0.000 1.039 745 I HN 0.172 nan 8.210 nan 0.000 0.409 746 P HA -0.159 nan 4.420 nan 0.000 0.218 746 P C 1.196 178.528 177.300 0.054 0.000 1.149 746 P CA 1.537 64.668 63.100 0.052 0.000 0.817 746 P CB -0.112 31.616 31.700 0.047 0.000 0.785 747 K N -0.146 120.283 120.400 0.048 0.000 2.296 747 K HA 0.037 4.371 4.320 0.024 0.000 0.200 747 K C 2.109 178.782 176.600 0.122 0.000 1.048 747 K CA 0.831 57.171 56.287 0.089 0.000 0.966 747 K CB -0.498 32.077 32.500 0.124 0.000 0.754 747 K HN 0.282 nan 8.250 nan 0.000 0.466 748 I N -1.114 119.495 120.570 0.064 0.000 2.830 748 I HA -0.122 4.063 4.170 0.024 0.000 0.263 748 I C 0.977 177.145 176.117 0.086 0.000 1.230 748 I CA 1.262 62.607 61.300 0.075 0.000 1.480 748 I CB -0.124 37.861 38.000 -0.024 0.000 1.095 748 I HN -0.005 nan 8.210 nan 0.000 0.455 749 D N 2.012 122.460 120.400 0.080 0.000 2.224 749 D HA -0.172 4.483 4.640 0.024 0.000 0.205 749 D C 1.811 178.153 176.300 0.070 0.000 0.965 749 D CA 1.085 55.131 54.000 0.076 0.000 0.852 749 D CB 0.140 40.986 40.800 0.076 0.000 0.947 749 D HN 0.397 nan 8.370 nan 0.000 0.494 750 K N 0.449 120.891 120.400 0.070 0.000 2.418 750 K HA 0.010 4.344 4.320 0.024 0.000 0.195 750 K C 0.566 177.196 176.600 0.051 0.000 1.035 750 K CA 0.182 56.502 56.287 0.056 0.000 1.003 750 K CB 0.299 32.829 32.500 0.050 0.000 0.793 750 K HN -0.064 nan 8.250 nan 0.000 0.494 751 I N 3.636 124.244 120.570 0.063 0.000 2.371 751 I HA 0.146 4.331 4.170 0.024 0.000 0.290 751 I C -2.106 174.039 176.117 0.046 0.000 1.028 751 I CA -2.318 59.010 61.300 0.046 0.000 1.345 751 I CB 0.994 39.032 38.000 0.064 0.000 1.407 751 I HN 0.046 nan 8.210 nan 0.000 0.501 752 P HA 0.399 nan 4.420 nan 0.000 0.247 752 P C -0.717 176.637 177.300 0.090 0.000 1.756 752 P CA -0.023 63.112 63.100 0.059 0.000 1.117 752 P CB 0.634 32.364 31.700 0.050 0.000 1.869 753 A N 0.000 122.872 122.820 0.086 0.000 2.254 753 A HA 0.000 4.334 4.320 0.024 0.000 0.244 753 A CA 0.000 52.111 52.037 0.123 0.000 0.836 753 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486