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 1gg9_1_C DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VNARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN 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 0.000 176.278 176.300 -0.036 0.000 2.045 27 D CA 0.000 53.983 54.000 -0.029 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.024 0.000 0.688 28 S N -0.029 115.646 115.700 -0.041 0.000 2.941 28 S HA 0.371 4.896 4.470 0.092 0.000 0.251 28 S C 1.169 175.733 174.600 -0.061 0.000 1.029 28 S CA -0.279 57.893 58.200 -0.047 0.000 1.062 28 S CB -0.246 62.934 63.200 -0.034 0.000 0.977 28 S HN 0.146 nan 8.310 nan 0.000 0.552 29 L N 0.928 122.108 121.223 -0.072 0.000 2.095 29 L HA 0.326 4.721 4.340 0.092 0.000 0.204 29 L C 1.584 178.377 176.870 -0.128 0.000 1.080 29 L CA 0.574 55.367 54.840 -0.079 0.000 0.759 29 L CB -0.827 41.195 42.059 -0.063 0.000 0.914 29 L HN 0.423 nan 8.230 nan 0.000 0.439 30 A N 1.422 124.116 122.820 -0.211 0.000 2.483 30 A HA 0.298 4.673 4.320 0.092 0.000 0.238 30 A C -1.992 175.443 177.584 -0.247 0.000 1.070 30 A CA -0.938 50.852 52.037 -0.412 0.000 0.770 30 A CB -0.660 17.858 19.000 -0.803 0.000 1.008 30 A HN 0.043 nan 8.150 nan 0.000 0.497 31 P HA 0.101 nan 4.420 nan 0.000 0.269 31 P C 0.169 177.452 177.300 -0.029 0.000 1.215 31 P CA 0.002 63.068 63.100 -0.057 0.000 0.780 31 P CB 0.820 32.525 31.700 0.009 0.000 0.898 32 E N 1.346 121.540 120.200 -0.009 0.000 2.150 32 E HA -0.196 4.209 4.350 0.092 0.000 0.193 32 E C 1.209 177.828 176.600 0.031 0.000 0.985 32 E CA 1.588 57.991 56.400 0.005 0.000 0.814 32 E CB -0.488 29.212 29.700 0.000 0.000 0.752 32 E HN 0.522 nan 8.360 nan 0.000 0.466 33 D N -1.369 119.055 120.400 0.040 0.000 2.371 33 D HA 0.000 4.695 4.640 0.092 0.000 0.221 33 D C 1.254 177.600 176.300 0.077 0.000 0.986 33 D CA 0.899 54.927 54.000 0.048 0.000 0.899 33 D CB -0.372 40.449 40.800 0.036 0.000 0.902 33 D HN 0.232 nan 8.370 nan 0.000 0.530 34 G N 0.215 109.101 108.800 0.143 0.000 2.143 34 G HA2 -0.343 3.672 3.960 0.092 0.000 0.248 34 G HA3 -0.343 3.672 3.960 0.092 0.000 0.248 34 G C 0.972 175.967 174.900 0.157 0.000 0.991 34 G CA 0.831 46.065 45.100 0.223 0.000 0.689 34 G HN 0.720 nan 8.290 nan 0.000 0.522 35 S N 0.419 116.216 115.700 0.161 0.000 2.603 35 S HA -0.019 4.506 4.470 0.092 0.000 0.229 35 S C 1.843 176.504 174.600 0.102 0.000 0.972 35 S CA 1.146 59.398 58.200 0.087 0.000 0.935 35 S CB -0.512 62.728 63.200 0.065 0.000 0.769 35 S HN 0.958 nan 8.310 nan 0.000 0.536 36 H N 0.762 119.838 119.070 0.011 0.000 2.535 36 H HA 0.308 4.919 4.556 0.091 0.000 0.273 36 H C 0.752 176.091 175.328 0.019 0.000 0.983 36 H CA 0.048 56.103 56.048 0.013 0.000 1.238 36 H CB -0.252 29.517 29.762 0.011 0.000 1.412 36 H HN 0.356 nan 8.280 nan 0.000 0.562 37 R N 2.363 122.535 120.500 -0.546 0.000 2.295 37 R HA 0.349 4.744 4.340 0.092 0.000 0.324 37 R C -2.664 173.542 176.300 -0.157 0.000 0.968 37 R CA -1.965 53.902 56.100 -0.389 0.000 0.837 37 R CB 0.970 30.964 30.300 -0.509 0.000 1.133 37 R HN 0.077 nan 8.270 nan 0.000 0.450 38 P HA 0.092 nan 4.420 nan 0.000 0.271 38 P C -0.958 176.332 177.300 -0.017 0.000 1.216 38 P CA -0.253 62.835 63.100 -0.019 0.000 0.771 38 P CB 1.062 32.776 31.700 0.023 0.000 0.864 39 A N 3.183 125.998 122.820 -0.007 0.000 2.565 39 A HA 0.332 4.707 4.320 0.092 0.000 0.237 39 A C 0.913 178.505 177.584 0.013 0.000 1.053 39 A CA 0.254 52.290 52.037 -0.001 0.000 0.755 39 A CB -0.452 18.550 19.000 0.004 0.000 0.980 39 A HN 0.585 nan 8.150 nan 0.000 0.506 40 A N 3.400 126.227 122.820 0.012 0.000 3.091 40 A HA 0.516 4.891 4.320 0.092 0.000 0.264 40 A C 0.315 177.915 177.584 0.026 0.000 1.673 40 A CA 0.158 52.209 52.037 0.022 0.000 1.362 40 A CB -0.813 18.197 19.000 0.017 0.000 1.137 40 A HN 0.932 nan 8.150 nan 0.000 0.617 41 E N -0.635 119.583 120.200 0.030 0.000 2.401 41 E HA 0.423 4.828 4.350 0.092 0.000 0.280 41 E C -3.298 173.322 176.600 0.033 0.000 1.039 41 E CA -2.396 54.023 56.400 0.032 0.000 0.814 41 E CB 0.505 30.219 29.700 0.023 0.000 1.275 41 E HN 0.046 nan 8.360 nan 0.000 0.448 42 P HA 0.064 nan 4.420 nan 0.000 0.262 42 P C -0.747 176.560 177.300 0.011 0.000 1.199 42 P CA 0.418 63.530 63.100 0.021 0.000 0.763 42 P CB 0.359 32.063 31.700 0.006 0.000 0.790 43 T N 1.314 115.872 114.554 0.006 0.000 2.909 43 T HA 0.643 5.048 4.350 0.092 0.000 0.299 43 T C -2.964 171.714 174.700 -0.038 0.000 1.073 43 T CA -2.706 59.392 62.100 -0.002 0.000 0.999 43 T CB 1.888 70.759 68.868 0.006 0.000 1.098 43 T HN 0.049 nan 8.240 nan 0.000 0.477 44 P HA 0.351 nan 4.420 nan 0.000 0.274 44 P C -2.782 174.385 177.300 -0.222 0.000 1.246 44 P CA -1.674 61.296 63.100 -0.217 0.000 0.795 44 P CB -0.941 30.692 31.700 -0.112 0.000 1.006 45 P HA 0.034 nan 4.420 nan 0.000 0.261 45 P C 1.072 178.319 177.300 -0.089 0.000 1.183 45 P CA 1.524 64.513 63.100 -0.185 0.000 0.761 45 P CB -0.436 31.139 31.700 -0.208 0.000 0.785 46 G N 3.045 111.825 108.800 -0.033 0.000 2.176 46 G HA2 -0.333 3.681 3.960 0.092 0.000 0.253 46 G HA3 -0.333 3.681 3.960 0.092 0.000 0.253 46 G C 1.118 176.015 174.900 -0.005 0.000 0.979 46 G CA 0.370 45.464 45.100 -0.009 0.000 0.641 46 G HN 0.664 nan 8.290 nan 0.000 0.530 47 A N -1.237 121.576 122.820 -0.012 0.000 1.968 47 A HA 0.424 4.799 4.320 0.092 0.000 0.217 47 A C 1.352 178.939 177.584 0.005 0.000 1.169 47 A CA 1.952 53.987 52.037 -0.003 0.000 0.638 47 A CB 0.018 19.014 19.000 -0.007 0.000 0.812 47 A HN 0.483 nan 8.150 nan 0.000 0.446 48 Q N -1.077 118.730 119.800 0.010 0.000 2.456 48 Q HA 0.445 4.840 4.340 0.092 0.000 0.283 48 Q C -2.988 173.028 176.000 0.026 0.000 1.084 48 Q CA -2.068 53.746 55.803 0.017 0.000 0.801 48 Q CB 1.171 29.922 28.738 0.022 0.000 1.434 48 Q HN 0.079 nan 8.270 nan 0.000 0.419 49 P HA 0.077 nan 4.420 nan 0.000 0.271 49 P C -0.256 177.077 177.300 0.055 0.000 1.216 49 P CA -0.044 63.072 63.100 0.027 0.000 0.776 49 P CB 0.242 31.955 31.700 0.021 0.000 0.881 50 T N -0.518 114.070 114.554 0.058 0.000 2.813 50 T HA 0.591 4.996 4.350 0.092 0.000 0.297 50 T C 0.040 174.837 174.700 0.161 0.000 1.036 50 T CA -0.477 61.710 62.100 0.145 0.000 1.044 50 T CB 0.591 69.493 68.868 0.056 0.000 0.993 50 T HN 0.590 nan 8.240 nan 0.000 0.535 51 A N 1.667 124.686 122.820 0.331 0.000 2.594 51 A HA 0.781 5.156 4.320 0.092 0.000 0.291 51 A C -3.057 174.801 177.584 0.455 0.000 1.105 51 A CA -2.093 50.110 52.037 0.277 0.000 0.694 51 A CB 0.653 19.760 19.000 0.178 0.000 1.291 51 A HN 0.653 nan 8.150 nan 0.000 0.410 52 P HA 0.124 nan 4.420 nan 0.000 0.264 52 P C 1.250 178.703 177.300 0.255 0.000 1.183 52 P CA 0.961 64.282 63.100 0.368 0.000 0.763 52 P CB 0.564 32.400 31.700 0.226 0.000 0.807 53 G N 2.683 111.593 108.800 0.184 0.000 2.513 53 G HA2 -0.331 3.684 3.960 0.092 0.000 0.219 53 G HA3 -0.331 3.684 3.960 0.092 0.000 0.219 53 G C 1.576 176.493 174.900 0.029 0.000 1.160 53 G CA 1.269 46.386 45.100 0.028 0.000 0.767 53 G HN 0.593 nan 8.290 nan 0.000 0.571 54 S N -0.031 115.690 115.700 0.035 0.000 2.481 54 S HA 0.146 4.671 4.470 0.092 0.000 0.231 54 S C 2.231 176.850 174.600 0.032 0.000 0.996 54 S CA 0.880 59.087 58.200 0.012 0.000 0.942 54 S CB -0.155 63.045 63.200 -0.000 0.000 0.768 54 S HN 0.331 nan 8.310 nan 0.000 0.520 55 L N 0.006 121.264 121.223 0.059 0.000 2.202 55 L HA 0.228 4.623 4.340 0.092 0.000 0.205 55 L C 2.712 179.614 176.870 0.054 0.000 1.083 55 L CA 0.952 55.826 54.840 0.057 0.000 0.790 55 L CB -0.394 41.708 42.059 0.071 0.000 0.942 55 L HN 0.266 nan 8.230 nan 0.000 0.452 56 K N 1.498 121.942 120.400 0.073 0.000 2.057 56 K HA -0.019 4.356 4.320 0.092 0.000 0.206 56 K C 0.742 177.372 176.600 0.049 0.000 1.050 56 K CA 1.440 57.770 56.287 0.071 0.000 0.935 56 K CB 0.038 32.597 32.500 0.100 0.000 0.715 56 K HN 0.164 nan 8.250 nan 0.000 0.439 57 A N 0.768 123.609 122.820 0.036 0.000 3.258 57 A HA 0.354 4.729 4.320 0.092 0.000 0.318 57 A C -2.158 175.431 177.584 0.010 0.000 0.990 57 A CA -1.102 50.953 52.037 0.029 0.000 0.885 57 A CB 0.622 19.642 19.000 0.034 0.000 1.090 57 A HN 0.172 nan 8.150 nan 0.000 0.479 58 P HA -0.142 nan 4.420 nan 0.000 0.218 58 P C 0.253 177.547 177.300 -0.011 0.000 1.149 58 P CA 1.211 64.310 63.100 -0.001 0.000 0.817 58 P CB 0.295 31.998 31.700 0.005 0.000 0.785 59 D N -0.840 119.559 120.400 -0.003 0.000 2.355 59 D HA 0.004 4.699 4.640 0.092 0.000 0.218 59 D C 0.400 176.687 176.300 -0.022 0.000 1.004 59 D CA 0.613 54.607 54.000 -0.009 0.000 0.880 59 D CB -0.397 40.404 40.800 0.002 0.000 0.911 59 D HN 0.163 nan 8.370 nan 0.000 0.528 60 T N 2.733 117.271 114.554 -0.026 0.000 2.851 60 T HA 0.286 4.691 4.350 0.092 0.000 0.298 60 T C 0.609 175.263 174.700 -0.077 0.000 0.977 60 T CA -0.340 61.728 62.100 -0.052 0.000 1.126 60 T CB 1.304 70.139 68.868 -0.055 0.000 0.916 60 T HN 0.131 nan 8.240 nan 0.000 0.529 61 R N 1.766 122.210 120.500 -0.094 0.000 2.764 61 R HA 0.602 4.997 4.340 0.092 0.000 0.270 61 R C -1.505 174.728 176.300 -0.111 0.000 1.014 61 R CA -0.948 55.091 56.100 -0.101 0.000 0.904 61 R CB 1.156 31.406 30.300 -0.084 0.000 1.236 61 R HN 0.744 nan 8.270 nan 0.000 0.466 62 N N -1.625 117.014 118.700 -0.101 0.000 3.020 62 N HA 0.104 4.899 4.740 0.092 0.000 0.248 62 N C 0.085 175.549 175.510 -0.076 0.000 1.480 62 N CA -0.578 52.426 53.050 -0.077 0.000 0.874 62 N CB 0.702 39.175 38.487 -0.023 0.000 1.433 62 N HN 0.710 nan 8.380 nan 0.000 0.530 63 E N -0.228 119.944 120.200 -0.048 0.000 2.085 63 E HA -0.277 4.128 4.350 0.092 0.000 0.194 63 E C 1.067 177.596 176.600 -0.117 0.000 0.994 63 E CA 1.519 57.885 56.400 -0.057 0.000 0.801 63 E CB 0.063 29.756 29.700 -0.011 0.000 0.743 63 E HN 0.487 nan 8.360 nan 0.000 0.453 64 K N 0.749 121.044 120.400 -0.174 0.000 2.025 64 K HA -0.089 4.285 4.320 0.092 0.000 0.207 64 K C 2.117 178.548 176.600 -0.282 0.000 1.049 64 K CA 1.203 57.288 56.287 -0.337 0.000 0.933 64 K CB -0.452 31.697 32.500 -0.586 0.000 0.714 64 K HN 0.184 nan 8.250 nan 0.000 0.438 65 L N 0.856 121.929 121.223 -0.249 0.000 2.083 65 L HA -0.207 4.188 4.340 0.092 0.000 0.209 65 L C 1.835 178.588 176.870 -0.194 0.000 1.083 65 L CA 1.257 55.925 54.840 -0.286 0.000 0.752 65 L CB -0.591 41.294 42.059 -0.290 0.000 0.899 65 L HN 0.258 nan 8.230 nan 0.000 0.433 66 N N -0.324 118.288 118.700 -0.146 0.000 2.188 66 N HA -0.149 4.646 4.740 0.092 0.000 0.184 66 N C 2.062 177.511 175.510 -0.103 0.000 1.018 66 N CA 1.641 54.627 53.050 -0.107 0.000 0.858 66 N CB -0.426 38.012 38.487 -0.081 0.000 0.989 66 N HN 0.360 nan 8.380 nan 0.000 0.426 67 S N 0.356 115.984 115.700 -0.120 0.000 2.474 67 S HA 0.039 4.564 4.470 0.092 0.000 0.235 67 S C 1.830 176.362 174.600 -0.113 0.000 0.997 67 S CA 0.392 58.527 58.200 -0.108 0.000 0.949 67 S CB -0.461 62.667 63.200 -0.118 0.000 0.766 67 S HN 0.233 nan 8.310 nan 0.000 0.517 68 L N 0.777 121.917 121.223 -0.139 0.000 2.478 68 L HA 0.148 4.543 4.340 0.092 0.000 0.223 68 L C 2.693 179.510 176.870 -0.088 0.000 1.140 68 L CA 0.701 55.467 54.840 -0.123 0.000 0.842 68 L CB -0.434 41.531 42.059 -0.157 0.000 0.953 68 L HN 0.289 nan 8.230 nan 0.000 0.452 69 E N 1.313 121.465 120.200 -0.081 0.000 2.130 69 E HA -0.276 4.129 4.350 0.092 0.000 0.196 69 E C 1.582 178.158 176.600 -0.040 0.000 0.998 69 E CA 1.782 58.149 56.400 -0.056 0.000 0.806 69 E CB -0.065 29.605 29.700 -0.050 0.000 0.738 69 E HN 0.615 nan 8.360 nan 0.000 0.459 70 D N -0.728 119.647 120.400 -0.041 0.000 2.264 70 D HA -0.135 4.560 4.640 0.092 0.000 0.208 70 D C 1.644 177.927 176.300 -0.028 0.000 0.966 70 D CA 1.357 55.339 54.000 -0.031 0.000 0.864 70 D CB -0.386 40.395 40.800 -0.031 0.000 0.933 70 D HN 0.303 nan 8.370 nan 0.000 0.499 71 V N -3.585 116.310 119.914 -0.031 0.000 3.578 71 V HA 0.319 4.494 4.120 0.092 0.000 0.290 71 V C 0.767 176.851 176.094 -0.017 0.000 1.376 71 V CA -0.673 61.614 62.300 -0.022 0.000 1.083 71 V CB -0.626 31.184 31.823 -0.022 0.000 0.911 71 V HN -0.146 nan 8.190 nan 0.000 0.433 72 R N 2.973 123.462 120.500 -0.019 0.000 2.491 72 R HA 0.438 4.832 4.340 0.092 0.000 0.283 72 R C -0.262 176.036 176.300 -0.004 0.000 1.072 72 R CA 0.051 56.147 56.100 -0.007 0.000 1.048 72 R CB 0.662 30.957 30.300 -0.008 0.000 0.983 72 R HN 0.600 nan 8.270 nan 0.000 0.450 73 K N 1.035 121.437 120.400 0.003 0.000 2.324 73 K HA 0.453 4.828 4.320 0.092 0.000 0.253 73 K C -0.050 176.562 176.600 0.021 0.000 0.932 73 K CA -0.915 55.364 56.287 -0.014 0.000 0.799 73 K CB 2.321 34.790 32.500 -0.052 0.000 1.154 73 K HN 0.589 nan 8.250 nan 0.000 0.425 74 G N 0.423 109.251 108.800 0.047 0.000 2.531 74 G HA2 0.327 4.342 3.960 0.092 0.000 0.253 74 G HA3 0.327 4.342 3.960 0.092 0.000 0.253 74 G C 0.396 175.392 174.900 0.160 0.000 1.439 74 G CA 0.157 45.337 45.100 0.134 0.000 1.056 74 G HN 0.772 nan 8.290 nan 0.000 0.555 75 S N -2.892 112.982 115.700 0.291 0.000 2.126 75 S HA 0.095 4.620 4.470 0.092 0.000 0.242 75 S C 0.191 174.953 174.600 0.269 0.000 0.898 75 S CA -0.112 58.259 58.200 0.286 0.000 1.395 75 S CB -0.095 63.189 63.200 0.139 0.000 0.966 75 S HN 0.486 nan 8.310 nan 0.000 0.435 76 E N 2.847 123.134 120.200 0.146 0.000 2.415 76 E HA 0.230 4.635 4.350 0.092 0.000 0.263 76 E C -0.217 176.310 176.600 -0.122 0.000 0.995 76 E CA 0.249 56.665 56.400 0.028 0.000 0.915 76 E CB 0.091 29.797 29.700 0.010 0.000 0.951 76 E HN 0.397 nan 8.360 nan 0.000 0.449 77 N N 1.024 119.662 118.700 -0.104 0.000 2.878 77 N HA -0.218 4.577 4.740 0.092 0.000 0.247 77 N C -1.134 174.239 175.510 -0.228 0.000 1.021 77 N CA 1.112 54.053 53.050 -0.181 0.000 0.873 77 N CB -1.305 37.029 38.487 -0.255 0.000 1.128 77 N HN 0.377 nan 8.380 nan 0.000 0.571 78 Y N 0.609 120.914 120.300 0.009 0.000 2.419 78 Y HA 0.641 5.247 4.550 0.093 0.000 0.328 78 Y C 0.931 176.834 175.900 0.005 0.000 1.162 78 Y CA -0.550 57.554 58.100 0.007 0.000 1.174 78 Y CB 1.054 39.518 38.460 0.008 0.000 1.228 78 Y HN 0.116 nan 8.280 nan 0.000 0.473 79 A N 2.423 125.358 122.820 0.192 0.000 2.371 79 A HA 0.431 4.806 4.320 0.092 0.000 0.257 79 A C -0.824 176.808 177.584 0.080 0.000 1.089 79 A CA -0.536 51.562 52.037 0.101 0.000 0.794 79 A CB 0.149 19.195 19.000 0.076 0.000 1.029 79 A HN 0.703 nan 8.150 nan 0.000 0.488 80 L N 2.708 123.959 121.223 0.047 0.000 2.360 80 L HA 0.517 4.912 4.340 0.092 0.000 0.276 80 L C 0.613 177.491 176.870 0.013 0.000 1.121 80 L CA 1.044 55.898 54.840 0.023 0.000 0.845 80 L CB 0.319 42.384 42.059 0.009 0.000 1.143 80 L HN 0.909 nan 8.230 nan 0.000 0.452 81 T N 0.449 115.005 114.554 0.003 0.000 2.864 81 T HA 0.692 5.097 4.350 0.092 0.000 0.289 81 T C 0.240 174.938 174.700 -0.002 0.000 1.082 81 T CA -0.162 61.941 62.100 0.006 0.000 1.009 81 T CB 1.062 69.936 68.868 0.010 0.000 1.234 81 T HN 0.765 nan 8.240 nan 0.000 0.526 82 T N 0.160 114.725 114.554 0.019 0.000 2.732 82 T HA 0.257 4.662 4.350 0.092 0.000 0.287 82 T C 0.999 175.712 174.700 0.021 0.000 0.993 82 T CA -0.607 61.511 62.100 0.030 0.000 0.966 82 T CB -0.058 68.869 68.868 0.098 0.000 1.047 82 T HN 0.568 nan 8.240 nan 0.000 0.527 83 N N 0.375 119.091 118.700 0.026 0.000 2.550 83 N HA -0.043 4.751 4.740 0.092 0.000 0.186 83 N C 1.464 176.991 175.510 0.028 0.000 1.110 83 N CA 0.404 53.462 53.050 0.014 0.000 0.912 83 N CB -0.113 38.389 38.487 0.025 0.000 0.968 83 N HN 0.521 nan 8.380 nan 0.000 0.448 84 Q N -0.570 119.259 119.800 0.049 0.000 2.360 84 Q HA 0.194 4.589 4.340 0.092 0.000 0.202 84 Q C 0.868 176.889 176.000 0.036 0.000 0.915 84 Q CA 0.137 55.966 55.803 0.044 0.000 0.943 84 Q CB 0.447 29.221 28.738 0.060 0.000 1.064 84 Q HN 0.393 nan 8.270 nan 0.000 0.511 85 G N 0.444 109.263 108.800 0.031 0.000 2.141 85 G HA2 -0.235 3.780 3.960 0.092 0.000 0.242 85 G HA3 -0.235 3.780 3.960 0.092 0.000 0.242 85 G C 0.096 175.021 174.900 0.041 0.000 0.982 85 G CA 0.168 45.282 45.100 0.023 0.000 0.662 85 G HN 0.212 nan 8.290 nan 0.000 0.527 86 V N 1.766 121.721 119.914 0.068 0.000 2.461 86 V HA 0.350 4.525 4.120 0.092 0.000 0.275 86 V C 1.328 177.461 176.094 0.066 0.000 1.047 86 V CA -0.503 61.850 62.300 0.090 0.000 0.955 86 V CB 1.055 32.981 31.823 0.173 0.000 0.988 86 V HN 0.404 nan 8.190 nan 0.000 0.471 87 R N 4.335 124.868 120.500 0.054 0.000 2.590 87 R HA 0.379 4.774 4.340 0.092 0.000 0.274 87 R C -0.518 175.796 176.300 0.024 0.000 1.061 87 R CA -0.105 56.017 56.100 0.036 0.000 1.081 87 R CB 0.567 30.889 30.300 0.035 0.000 0.984 87 R HN 0.576 nan 8.270 nan 0.000 0.448 88 I N 1.876 122.448 120.570 0.003 0.000 2.359 88 I HA 0.136 4.361 4.170 0.092 0.000 0.294 88 I C 0.912 177.019 176.117 -0.017 0.000 0.987 88 I CA -0.001 61.284 61.300 -0.024 0.000 1.225 88 I CB 1.904 39.878 38.000 -0.043 0.000 1.366 88 I HN 0.770 nan 8.210 nan 0.000 0.466 89 A N 3.961 126.768 122.820 -0.022 0.000 1.924 89 A HA 0.033 4.408 4.320 0.092 0.000 0.211 89 A C 0.641 178.211 177.584 -0.023 0.000 1.198 89 A CA 0.826 52.854 52.037 -0.015 0.000 0.657 89 A CB 0.084 19.078 19.000 -0.009 0.000 0.852 89 A HN 0.673 nan 8.150 nan 0.000 0.454 90 D N -0.439 119.939 120.400 -0.036 0.000 2.440 90 D HA 0.341 5.036 4.640 0.092 0.000 0.252 90 D C -1.272 174.997 176.300 -0.051 0.000 1.180 90 D CA -0.345 53.632 54.000 -0.038 0.000 0.894 90 D CB 1.217 41.995 40.800 -0.036 0.000 1.111 90 D HN 0.075 nan 8.370 nan 0.000 0.544 91 D N 1.989 122.362 120.400 -0.045 0.000 2.395 91 D HA 0.042 4.737 4.640 0.092 0.000 0.226 91 D C 0.715 176.985 176.300 -0.051 0.000 1.146 91 D CA 0.271 54.240 54.000 -0.052 0.000 0.830 91 D CB 0.517 41.291 40.800 -0.043 0.000 0.958 91 D HN 0.222 nan 8.370 nan 0.000 0.501 92 Q N -0.630 119.142 119.800 -0.046 0.000 2.350 92 Q HA 0.256 4.651 4.340 0.092 0.000 0.225 92 Q C -0.072 175.900 176.000 -0.047 0.000 0.878 92 Q CA 0.279 56.056 55.803 -0.044 0.000 0.935 92 Q CB 0.694 29.410 28.738 -0.036 0.000 1.099 92 Q HN 0.210 nan 8.270 nan 0.000 0.527 93 N N -0.085 118.585 118.700 -0.049 0.000 2.284 93 N HA 0.337 5.131 4.740 0.092 0.000 0.289 93 N C -0.954 174.524 175.510 -0.054 0.000 1.179 93 N CA -0.296 52.726 53.050 -0.047 0.000 0.774 93 N CB 2.060 40.524 38.487 -0.038 0.000 1.548 93 N HN -0.188 nan 8.380 nan 0.000 0.473 94 S N 0.635 116.306 115.700 -0.048 0.000 2.632 94 S HA 0.331 4.855 4.470 0.092 0.000 0.271 94 S C 0.055 174.632 174.600 -0.038 0.000 1.260 94 S CA -0.595 57.576 58.200 -0.047 0.000 1.010 94 S CB 0.836 64.014 63.200 -0.037 0.000 0.965 94 S HN 0.393 nan 8.310 nan 0.000 0.534 95 L N 3.669 124.870 121.223 -0.037 0.000 2.313 95 L HA 0.408 4.802 4.340 0.092 0.000 0.282 95 L C 0.073 176.937 176.870 -0.010 0.000 1.092 95 L CA 0.361 55.188 54.840 -0.021 0.000 0.831 95 L CB -0.145 41.906 42.059 -0.014 0.000 1.159 95 L HN 0.706 nan 8.230 nan 0.000 0.442 96 R N 4.236 124.731 120.500 -0.007 0.000 2.836 96 R HA 0.859 5.254 4.340 0.092 0.000 0.269 96 R C -1.061 175.239 176.300 0.001 0.000 1.010 96 R CA -0.857 55.242 56.100 -0.003 0.000 0.930 96 R CB 1.135 31.431 30.300 -0.007 0.000 1.218 96 R HN 0.573 nan 8.270 nan 0.000 0.473 97 A N 1.242 124.063 122.820 0.002 0.000 2.666 97 A HA 0.571 4.946 4.320 0.092 0.000 0.312 97 A C 0.587 178.171 177.584 0.001 0.000 1.471 97 A CA 0.339 52.378 52.037 0.004 0.000 1.134 97 A CB -0.968 18.035 19.000 0.005 0.000 1.129 97 A HN 1.205 nan 8.150 nan 0.000 0.539 98 G N 1.119 109.919 108.800 0.000 0.000 2.692 98 G HA2 0.044 4.059 3.960 0.092 0.000 0.686 98 G HA3 0.044 4.059 3.960 0.092 0.000 0.686 98 G C 0.646 175.544 174.900 -0.004 0.000 1.243 98 G CA 0.090 45.189 45.100 -0.001 0.000 0.782 98 G HN 1.797 nan 8.290 nan 0.000 0.625 99 S N -0.243 115.453 115.700 -0.005 0.000 2.515 99 S HA 0.013 4.538 4.470 0.092 0.000 0.231 99 S C 1.489 176.084 174.600 -0.008 0.000 0.987 99 S CA 1.373 59.568 58.200 -0.008 0.000 0.936 99 S CB 0.074 63.269 63.200 -0.008 0.000 0.766 99 S HN 0.754 nan 8.310 nan 0.000 0.528 100 R N 0.807 121.303 120.500 -0.007 0.000 2.629 100 R HA 0.342 4.736 4.340 0.092 0.000 0.386 100 R C 0.822 177.119 176.300 -0.005 0.000 1.071 100 R CA 0.006 56.102 56.100 -0.007 0.000 1.104 100 R CB 0.860 31.156 30.300 -0.006 0.000 1.370 100 R HN 0.416 nan 8.270 nan 0.000 0.574 101 G N 1.754 110.551 108.800 -0.005 0.000 2.537 101 G HA2 0.383 4.398 3.960 0.092 0.000 0.297 101 G HA3 0.383 4.398 3.960 0.092 0.000 0.297 101 G C -2.385 172.513 174.900 -0.003 0.000 1.310 101 G CA -1.133 43.965 45.100 -0.003 0.000 1.027 101 G HN -0.108 nan 8.290 nan 0.000 0.505 102 P HA 0.212 nan 4.420 nan 0.000 0.275 102 P C -0.151 177.150 177.300 0.000 0.000 1.228 102 P CA -0.077 63.023 63.100 0.000 0.000 0.786 102 P CB 0.810 32.512 31.700 0.003 0.000 0.927 103 T N 3.030 117.583 114.554 -0.001 0.000 2.901 103 T HA 0.239 4.643 4.350 0.092 0.000 0.301 103 T C 0.546 175.250 174.700 0.007 0.000 1.012 103 T CA -0.113 61.987 62.100 -0.001 0.000 1.135 103 T CB -0.048 68.817 68.868 -0.004 0.000 0.936 103 T HN 0.180 nan 8.240 nan 0.000 0.539 104 L N 3.603 124.832 121.223 0.010 0.000 2.375 104 L HA 0.299 4.694 4.340 0.092 0.000 0.271 104 L C 1.484 178.371 176.870 0.029 0.000 1.107 104 L CA -0.770 54.082 54.840 0.020 0.000 0.806 104 L CB 0.614 42.688 42.059 0.024 0.000 1.146 104 L HN 0.509 nan 8.230 nan 0.000 0.447 105 L N 2.120 123.363 121.223 0.034 0.000 2.191 105 L HA -0.179 4.215 4.340 0.092 0.000 0.212 105 L C 2.328 179.237 176.870 0.065 0.000 1.103 105 L CA 1.609 56.474 54.840 0.043 0.000 0.769 105 L CB -0.603 41.479 42.059 0.038 0.000 0.908 105 L HN 0.798 nan 8.230 nan 0.000 0.438 106 E N -1.473 118.769 120.200 0.071 0.000 2.516 106 E HA -0.183 4.221 4.350 0.092 0.000 0.199 106 E C 0.217 176.919 176.600 0.169 0.000 1.069 106 E CA 0.275 56.743 56.400 0.113 0.000 0.876 106 E CB -0.540 29.218 29.700 0.097 0.000 0.843 106 E HN 0.372 nan 8.360 nan 0.000 0.530 107 D N 1.203 121.661 120.400 0.097 0.000 2.441 107 D HA -0.055 4.640 4.640 0.092 0.000 0.243 107 D C 0.455 176.778 176.300 0.038 0.000 1.257 107 D CA -0.439 53.580 54.000 0.031 0.000 1.027 107 D CB -0.162 40.623 40.800 -0.024 0.000 1.084 107 D HN 0.305 nan 8.370 nan 0.000 0.514 108 F N 2.053 122.012 119.950 0.014 0.000 2.407 108 F HA 0.077 4.657 4.527 0.089 0.000 0.299 108 F C 1.595 177.408 175.800 0.021 0.000 1.097 108 F CA 0.170 58.181 58.000 0.019 0.000 1.422 108 F CB -0.620 38.390 39.000 0.016 0.000 1.067 108 F HN 0.190 nan 8.300 nan 0.000 0.539 109 I N 0.392 120.535 120.570 -0.712 0.000 2.233 109 I HA -0.186 4.039 4.170 0.092 0.000 0.243 109 I C 2.480 178.480 176.117 -0.194 0.000 1.093 109 I CA 1.053 62.056 61.300 -0.495 0.000 1.380 109 I CB -0.502 37.148 38.000 -0.584 0.000 1.067 109 I HN 0.286 nan 8.210 nan 0.000 0.413 110 L N 1.085 122.212 121.223 -0.160 0.000 1.994 110 L HA -0.192 4.203 4.340 0.092 0.000 0.208 110 L C 2.632 179.491 176.870 -0.018 0.000 1.071 110 L CA 1.856 56.650 54.840 -0.076 0.000 0.745 110 L CB -0.549 41.473 42.059 -0.062 0.000 0.892 110 L HN 0.038 nan 8.230 nan 0.000 0.431 111 R N -0.550 119.957 120.500 0.012 0.000 2.096 111 R HA -0.183 4.212 4.340 0.092 0.000 0.235 111 R C 2.335 178.688 176.300 0.087 0.000 1.127 111 R CA 1.596 57.733 56.100 0.061 0.000 0.968 111 R CB -0.381 29.970 30.300 0.083 0.000 0.861 111 R HN 0.596 nan 8.270 nan 0.000 0.440 112 E N 1.085 121.338 120.200 0.087 0.000 2.051 112 E HA -0.244 4.160 4.350 0.092 0.000 0.192 112 E C 1.946 178.619 176.600 0.123 0.000 0.991 112 E CA 1.288 57.757 56.400 0.115 0.000 0.799 112 E CB 0.094 29.860 29.700 0.111 0.000 0.748 112 E HN 0.145 nan 8.360 nan 0.000 0.449 113 K N 0.305 120.746 120.400 0.070 0.000 2.032 113 K HA -0.158 4.217 4.320 0.092 0.000 0.209 113 K C 2.127 178.806 176.600 0.131 0.000 1.048 113 K CA 1.476 57.808 56.287 0.074 0.000 0.927 113 K CB -0.060 32.442 32.500 0.002 0.000 0.712 113 K HN 0.157 nan 8.250 nan 0.000 0.441 114 I N 1.255 121.883 120.570 0.097 0.000 2.315 114 I HA -0.185 4.040 4.170 0.092 0.000 0.248 114 I C 2.161 178.411 176.117 0.220 0.000 1.117 114 I CA 1.327 62.709 61.300 0.137 0.000 1.404 114 I CB -1.459 36.581 38.000 0.067 0.000 1.071 114 I HN 0.244 nan 8.210 nan 0.000 0.419 115 T N -0.266 114.405 114.554 0.195 0.000 2.708 115 T HA -0.221 4.184 4.350 0.092 0.000 0.266 115 T C 1.966 176.836 174.700 0.284 0.000 1.037 115 T CA 1.421 63.666 62.100 0.241 0.000 1.146 115 T CB -0.423 68.568 68.868 0.205 0.000 0.865 115 T HN 0.346 nan 8.240 nan 0.000 0.435 116 H N -0.063 119.114 119.070 0.178 0.000 2.353 116 H HA -0.069 4.539 4.556 0.088 0.000 0.300 116 H C 2.205 177.603 175.328 0.117 0.000 1.090 116 H CA 1.605 57.737 56.048 0.140 0.000 1.327 116 H CB -0.445 29.373 29.762 0.094 0.000 1.383 116 H HN 0.405 nan 8.280 nan 0.000 0.508 117 F N 2.083 122.113 119.950 0.133 0.000 2.095 117 F HA -0.217 4.283 4.527 -0.045 0.000 0.298 117 F C 2.050 177.818 175.800 -0.053 0.000 1.104 117 F CA 1.882 59.906 58.000 0.041 0.000 1.232 117 F CB -0.370 38.642 39.000 0.021 0.000 0.987 117 F HN 0.065 nan 8.300 nan 0.000 0.475 118 D N -0.986 119.365 120.400 -0.082 0.000 2.221 118 D HA -0.173 4.522 4.640 0.092 0.000 0.204 118 D C 1.332 177.277 176.300 -0.590 0.000 0.982 118 D CA 1.369 55.168 54.000 -0.335 0.000 0.857 118 D CB -0.468 40.175 40.800 -0.262 0.000 0.934 118 D HN 0.509 nan 8.370 nan 0.000 0.475 119 H N -0.014 118.932 119.070 -0.207 0.000 2.488 119 H HA 0.217 4.854 4.556 0.135 0.000 0.294 119 H C 0.919 176.074 175.328 -0.287 0.000 1.088 119 H CA -0.032 55.886 56.048 -0.216 0.000 1.086 119 H CB 0.440 30.090 29.762 -0.188 0.000 1.569 119 H HN 0.304 nan 8.280 nan 0.000 0.548 120 E N 0.653 120.678 120.200 -0.293 0.000 2.152 120 E HA -0.028 4.377 4.350 0.092 0.000 0.192 120 E C 0.552 176.988 176.600 -0.274 0.000 0.983 120 E CA 0.404 56.608 56.400 -0.327 0.000 0.818 120 E CB 0.474 29.959 29.700 -0.358 0.000 0.758 120 E HN 0.201 nan 8.360 nan 0.000 0.467 121 R N 1.314 121.711 120.500 -0.172 0.000 2.490 121 R HA 0.374 4.769 4.340 0.092 0.000 0.278 121 R C 0.477 176.807 176.300 0.050 0.000 1.069 121 R CA -0.212 55.862 56.100 -0.042 0.000 1.080 121 R CB 0.691 30.958 30.300 -0.055 0.000 1.030 121 R HN 0.146 nan 8.270 nan 0.000 0.491 122 I N -1.397 119.262 120.570 0.149 0.000 2.892 122 I HA 0.563 4.788 4.170 0.092 0.000 0.306 122 I C -2.331 173.838 176.117 0.088 0.000 1.078 122 I CA -3.019 58.358 61.300 0.129 0.000 1.032 122 I CB 1.903 40.010 38.000 0.178 0.000 1.229 122 I HN 0.238 nan 8.210 nan 0.000 0.435 123 P HA 0.079 nan 4.420 nan 0.000 0.265 123 P C -0.835 176.485 177.300 0.033 0.000 1.193 123 P CA 0.015 63.133 63.100 0.031 0.000 0.765 123 P CB 0.394 32.102 31.700 0.013 0.000 0.823 124 E N 2.683 122.903 120.200 0.034 0.000 2.369 124 E HA 0.222 4.627 4.350 0.092 0.000 0.255 124 E C -0.445 176.165 176.600 0.017 0.000 1.172 124 E CA -0.899 55.525 56.400 0.039 0.000 0.932 124 E CB 0.632 30.360 29.700 0.048 0.000 1.040 124 E HN 0.256 nan 8.360 nan 0.000 0.454 125 R N 0.631 121.142 120.500 0.019 0.000 2.640 125 R HA -0.002 4.392 4.340 0.092 0.000 0.270 125 R C 1.099 177.402 176.300 0.006 0.000 1.024 125 R CA -0.092 56.009 56.100 0.002 0.000 1.085 125 R CB 0.187 30.496 30.300 0.015 0.000 0.963 125 R HN 0.624 nan 8.270 nan 0.000 0.426 126 I N 3.052 123.616 120.570 -0.010 0.000 2.208 126 I HA -0.200 4.025 4.170 0.092 0.000 0.245 126 I C 0.389 176.523 176.117 0.029 0.000 1.097 126 I CA 1.438 62.742 61.300 0.007 0.000 1.363 126 I CB 0.382 38.383 38.000 0.003 0.000 1.051 126 I HN 0.413 nan 8.210 nan 0.000 0.413 127 V N -2.208 117.733 119.914 0.046 0.000 2.962 127 V HA 0.546 4.721 4.120 0.092 0.000 0.313 127 V C -0.042 176.095 176.094 0.073 0.000 1.099 127 V CA -0.687 61.662 62.300 0.081 0.000 0.971 127 V CB 1.417 33.339 31.823 0.165 0.000 1.028 127 V HN 0.416 nan 8.190 nan 0.000 0.430 128 N N 0.382 119.133 118.700 0.086 0.000 2.776 128 N HA -0.174 4.621 4.740 0.092 0.000 0.249 128 N C 0.979 176.530 175.510 0.067 0.000 1.111 128 N CA 1.090 54.187 53.050 0.078 0.000 0.711 128 N CB -1.299 37.224 38.487 0.061 0.000 1.065 128 N HN 1.291 nan 8.380 nan 0.000 0.556 129 A N -0.417 122.443 122.820 0.067 0.000 1.972 129 A HA -0.048 4.327 4.320 0.092 0.000 0.219 129 A C 1.431 179.078 177.584 0.105 0.000 1.169 129 A CA 1.304 53.384 52.037 0.073 0.000 0.635 129 A CB -0.032 19.003 19.000 0.058 0.000 0.810 129 A HN 0.312 nan 8.150 nan 0.000 0.446 130 R N 0.292 120.859 120.500 0.112 0.000 2.196 130 R HA 0.503 4.898 4.340 0.092 0.000 0.340 130 R C -0.157 176.245 176.300 0.169 0.000 1.043 130 R CA 0.691 56.880 56.100 0.148 0.000 0.883 130 R CB 0.111 30.493 30.300 0.135 0.000 1.078 130 R HN 0.330 nan 8.270 nan 0.000 0.462 131 G N 0.967 109.892 108.800 0.209 0.000 2.698 131 G HA2 0.492 4.507 3.960 0.092 0.000 0.293 131 G HA3 0.492 4.507 3.960 0.092 0.000 0.293 131 G C -1.601 173.442 174.900 0.238 0.000 1.437 131 G CA -0.611 44.583 45.100 0.156 0.000 0.852 131 G HN 0.477 nan 8.290 nan 0.000 0.499 132 S N -0.854 114.945 115.700 0.165 0.000 2.521 132 S HA 0.893 5.418 4.470 0.092 0.000 0.295 132 S C -0.052 174.552 174.600 0.006 0.000 1.098 132 S CA -0.250 58.099 58.200 0.249 0.000 0.999 132 S CB 1.774 65.235 63.200 0.434 0.000 1.034 132 S HN 1.505 nan 8.310 nan 0.000 0.483 133 A N 1.531 124.319 122.820 -0.054 0.000 2.479 133 A HA 1.036 5.411 4.320 0.092 0.000 0.296 133 A C -0.933 176.475 177.584 -0.293 0.000 1.121 133 A CA -0.806 50.990 52.037 -0.402 0.000 0.743 133 A CB 1.601 20.162 19.000 -0.732 0.000 1.323 133 A HN 1.386 nan 8.150 nan 0.000 0.415 134 A N 0.340 122.836 122.820 -0.540 0.000 2.604 134 A HA 0.688 5.063 4.320 0.092 0.000 0.295 134 A C -1.091 176.331 177.584 -0.269 0.000 1.067 134 A CA -0.658 51.227 52.037 -0.254 0.000 0.683 134 A CB 0.690 19.628 19.000 -0.104 0.000 1.281 134 A HN 0.874 nan 8.150 nan 0.000 0.407 135 H N -0.194 118.933 119.070 0.095 0.000 2.505 135 H HA 0.665 5.276 4.556 0.091 0.000 0.355 135 H C 0.676 176.027 175.328 0.037 0.000 1.179 135 H CA 1.072 57.223 56.048 0.173 0.000 1.343 135 H CB 1.779 31.622 29.762 0.134 0.000 1.501 135 H HN 1.149 nan 8.280 nan 0.000 0.569 136 G N 0.514 109.432 108.800 0.197 0.000 2.500 136 G HA2 0.371 4.386 3.960 0.092 0.000 0.299 136 G HA3 0.371 4.386 3.960 0.092 0.000 0.299 136 G C -2.053 173.001 174.900 0.257 0.000 1.242 136 G CA -0.671 44.509 45.100 0.133 0.000 0.859 136 G HN 0.632 nan 8.290 nan 0.000 0.481 137 Y N -1.739 118.606 120.300 0.075 0.000 2.571 137 Y HA 0.829 5.434 4.550 0.091 0.000 0.341 137 Y C -1.787 174.259 175.900 0.243 0.000 1.076 137 Y CA -1.901 56.287 58.100 0.147 0.000 1.029 137 Y CB 1.921 40.437 38.460 0.093 0.000 1.308 137 Y HN 0.794 nan 8.280 nan 0.000 0.461 138 F N 2.664 122.750 119.950 0.228 0.000 2.563 138 F HA 0.688 5.270 4.527 0.092 0.000 0.316 138 F C -1.193 174.786 175.800 0.299 0.000 1.076 138 F CA -0.601 57.538 58.000 0.231 0.000 0.921 138 F CB 2.323 41.602 39.000 0.465 0.000 1.209 138 F HN 0.800 nan 8.300 nan 0.000 0.462 139 Q N 7.248 126.503 119.800 -0.908 0.000 2.268 139 Q HA 0.484 4.879 4.340 0.092 0.000 0.266 139 Q C -3.070 172.294 176.000 -1.060 0.000 1.006 139 Q CA -2.259 53.160 55.803 -0.639 0.000 0.824 139 Q CB 3.008 31.668 28.738 -0.130 0.000 1.306 139 Q HN 0.355 nan 8.270 nan 0.000 0.424 140 P HA 0.076 nan 4.420 nan 0.000 0.277 140 P C -0.473 176.666 177.300 -0.269 0.000 1.240 140 P CA 0.019 62.830 63.100 -0.483 0.000 0.798 140 P CB 0.573 32.181 31.700 -0.153 0.000 0.979 141 Y N 0.873 121.106 120.300 -0.112 0.000 2.314 141 Y HA -0.066 4.539 4.550 0.092 0.000 0.293 141 Y C 1.506 177.376 175.900 -0.050 0.000 1.129 141 Y CA 0.545 58.604 58.100 -0.069 0.000 1.201 141 Y CB 0.168 38.598 38.460 -0.051 0.000 0.999 141 Y HN 0.357 nan 8.280 nan 0.000 0.541 142 K N -0.931 119.523 120.400 0.090 0.000 2.555 142 K HA 0.404 4.779 4.320 0.092 0.000 0.279 142 K C -0.946 175.654 176.600 0.001 0.000 0.986 142 K CA -0.955 55.358 56.287 0.043 0.000 0.880 142 K CB 1.602 34.130 32.500 0.047 0.000 1.474 142 K HN -0.229 nan 8.250 nan 0.000 0.433 143 S N 0.924 116.623 115.700 -0.002 0.000 2.549 143 S HA 0.168 4.693 4.470 0.092 0.000 0.283 143 S C 0.353 174.940 174.600 -0.021 0.000 1.320 143 S CA -0.633 57.556 58.200 -0.017 0.000 1.058 143 S CB -0.178 63.017 63.200 -0.008 0.000 0.882 143 S HN 0.553 nan 8.310 nan 0.000 0.498 144 L N 4.815 126.015 121.223 -0.038 0.000 2.928 144 L HA 0.156 4.551 4.340 0.092 0.000 0.246 144 L C 1.976 178.830 176.870 -0.027 0.000 1.239 144 L CA -0.096 54.730 54.840 -0.024 0.000 1.035 144 L CB -0.167 41.883 42.059 -0.016 0.000 1.360 144 L HN 0.863 nan 8.230 nan 0.000 0.529 145 S N -1.715 113.967 115.700 -0.029 0.000 2.419 145 S HA -0.187 4.338 4.470 0.092 0.000 0.235 145 S C 1.259 175.843 174.600 -0.026 0.000 1.019 145 S CA 1.173 59.355 58.200 -0.030 0.000 0.982 145 S CB -0.144 63.043 63.200 -0.022 0.000 0.789 145 S HN 0.404 nan 8.310 nan 0.000 0.490 146 D N 2.121 122.510 120.400 -0.018 0.000 2.219 146 D HA 0.003 4.698 4.640 0.092 0.000 0.205 146 D C 1.826 178.110 176.300 -0.026 0.000 0.970 146 D CA 1.435 55.424 54.000 -0.018 0.000 0.851 146 D CB -0.253 40.541 40.800 -0.010 0.000 0.943 146 D HN 0.812 nan 8.370 nan 0.000 0.488 147 I N -4.112 116.443 120.570 -0.024 0.000 4.187 147 I HA 0.231 4.456 4.170 0.092 0.000 0.326 147 I C 0.449 176.528 176.117 -0.064 0.000 1.302 147 I CA -0.010 61.267 61.300 -0.038 0.000 1.196 147 I CB 1.094 39.091 38.000 -0.006 0.000 1.095 147 I HN -0.249 nan 8.210 nan 0.000 0.411 148 T N 1.483 116.002 114.554 -0.057 0.000 2.982 148 T HA 0.329 4.734 4.350 0.092 0.000 0.321 148 T C -0.172 174.481 174.700 -0.078 0.000 1.229 148 T CA -0.712 61.337 62.100 -0.084 0.000 1.044 148 T CB 1.751 70.563 68.868 -0.093 0.000 1.184 148 T HN 0.430 nan 8.240 nan 0.000 0.477 149 K N 2.386 122.738 120.400 -0.080 0.000 2.410 149 K HA 0.604 4.979 4.320 0.092 0.000 0.200 149 K C 0.664 177.234 176.600 -0.050 0.000 1.023 149 K CA -0.382 55.870 56.287 -0.058 0.000 1.149 149 K CB 0.317 32.786 32.500 -0.051 0.000 0.859 149 K HN 0.481 nan 8.250 nan 0.000 0.514 150 A N 1.995 124.768 122.820 -0.079 0.000 2.522 150 A HA -0.038 4.337 4.320 0.092 0.000 0.256 150 A C 0.525 178.086 177.584 -0.038 0.000 1.086 150 A CA -0.009 51.998 52.037 -0.050 0.000 0.763 150 A CB 0.064 18.995 19.000 -0.115 0.000 1.024 150 A HN 0.463 nan 8.150 nan 0.000 0.502 151 D N 2.206 122.648 120.400 0.070 0.000 2.149 151 D HA -0.234 4.461 4.640 0.092 0.000 0.198 151 D C 1.360 177.741 176.300 0.134 0.000 0.990 151 D CA 2.274 56.328 54.000 0.090 0.000 0.839 151 D CB -0.240 40.630 40.800 0.118 0.000 0.948 151 D HN 0.747 nan 8.370 nan 0.000 0.460 152 F N -0.788 119.186 119.950 0.040 0.000 2.546 152 F HA 0.135 4.717 4.527 0.092 0.000 0.298 152 F C 1.145 177.038 175.800 0.154 0.000 1.120 152 F CA 0.413 58.478 58.000 0.110 0.000 1.456 152 F CB -0.223 38.839 39.000 0.103 0.000 1.088 152 F HN -0.068 nan 8.300 nan 0.000 0.572 153 L N 0.860 121.772 121.223 -0.518 0.000 2.769 153 L HA 0.189 4.584 4.340 0.092 0.000 0.240 153 L C 1.873 178.647 176.870 -0.160 0.000 1.163 153 L CA 0.341 54.943 54.840 -0.396 0.000 0.962 153 L CB -0.081 41.630 42.059 -0.580 0.000 1.258 153 L HN 0.334 nan 8.230 nan 0.000 0.513 154 S N -2.367 113.285 115.700 -0.080 0.000 2.548 154 S HA 0.048 4.573 4.470 0.092 0.000 0.215 154 S C 0.316 174.911 174.600 -0.008 0.000 0.976 154 S CA -0.148 58.031 58.200 -0.035 0.000 0.908 154 S CB 0.113 63.307 63.200 -0.010 0.000 0.781 154 S HN 0.362 nan 8.310 nan 0.000 0.519 155 D N 0.514 120.917 120.400 0.005 0.000 2.931 155 D HA 0.305 5.000 4.640 0.092 0.000 0.215 155 D C -2.526 173.784 176.300 0.018 0.000 1.297 155 D CA -1.722 52.288 54.000 0.017 0.000 0.892 155 D CB 2.051 42.870 40.800 0.030 0.000 1.642 155 D HN -0.166 nan 8.370 nan 0.000 0.560 156 P HA -0.090 nan 4.420 nan 0.000 0.219 156 P C 0.561 177.875 177.300 0.023 0.000 1.146 156 P CA 0.770 63.878 63.100 0.014 0.000 0.808 156 P CB 0.451 32.169 31.700 0.030 0.000 0.779 157 N N -0.264 118.454 118.700 0.031 0.000 2.422 157 N HA -0.030 4.765 4.740 0.092 0.000 0.181 157 N C 0.792 176.333 175.510 0.052 0.000 1.080 157 N CA 0.399 53.472 53.050 0.037 0.000 0.893 157 N CB -0.178 38.328 38.487 0.032 0.000 0.973 157 N HN 0.269 nan 8.380 nan 0.000 0.456 158 K N 1.752 122.191 120.400 0.065 0.000 2.315 158 K HA 0.138 4.513 4.320 0.092 0.000 0.291 158 K C -0.366 176.322 176.600 0.147 0.000 1.074 158 K CA -0.331 56.018 56.287 0.104 0.000 0.936 158 K CB 0.081 32.651 32.500 0.117 0.000 1.049 158 K HN 0.038 nan 8.250 nan 0.000 0.471 159 I N 1.581 122.243 120.570 0.154 0.000 2.392 159 I HA 0.350 4.575 4.170 0.092 0.000 0.295 159 I C -0.894 175.394 176.117 0.285 0.000 0.985 159 I CA 0.209 61.639 61.300 0.217 0.000 1.221 159 I CB 2.212 40.313 38.000 0.169 0.000 1.366 159 I HN 0.353 nan 8.210 nan 0.000 0.467 160 T N 7.831 122.640 114.554 0.425 0.000 2.786 160 T HA 0.516 4.921 4.350 0.092 0.000 0.283 160 T C -2.607 172.361 174.700 0.446 0.000 0.992 160 T CA -1.073 61.301 62.100 0.457 0.000 0.954 160 T CB 1.371 70.618 68.868 0.632 0.000 0.934 160 T HN 0.475 nan 8.240 nan 0.000 0.440 161 P HA 0.302 nan 4.420 nan 0.000 0.271 161 P C -0.679 176.872 177.300 0.417 0.000 1.218 161 P CA -0.448 62.855 63.100 0.339 0.000 0.780 161 P CB 0.568 32.392 31.700 0.206 0.000 0.901 162 V N -0.552 119.554 119.914 0.321 0.000 3.130 162 V HA 0.736 4.911 4.120 0.092 0.000 0.310 162 V C -1.423 174.851 176.094 0.300 0.000 1.158 162 V CA -0.933 61.464 62.300 0.162 0.000 1.029 162 V CB 2.271 33.964 31.823 -0.218 0.000 1.057 162 V HN 0.312 nan 8.190 nan 0.000 0.436 163 F N 1.939 121.881 119.950 -0.012 0.000 2.536 163 F HA 0.845 5.427 4.527 0.091 0.000 0.322 163 F C -0.851 174.850 175.800 -0.165 0.000 1.144 163 F CA -0.831 57.105 58.000 -0.107 0.000 0.924 163 F CB 1.940 40.905 39.000 -0.058 0.000 1.181 163 F HN 0.526 nan 8.300 nan 0.000 0.438 164 V N 6.522 125.974 119.914 -0.772 0.000 2.540 164 V HA 0.579 4.754 4.120 0.092 0.000 0.302 164 V C -0.705 174.711 176.094 -1.130 0.000 1.035 164 V CA -0.864 60.905 62.300 -0.885 0.000 0.873 164 V CB 2.015 33.254 31.823 -0.973 0.000 0.992 164 V HN 0.716 nan 8.190 nan 0.000 0.428 165 R N 3.606 123.441 120.500 -1.108 0.000 2.439 165 R HA 0.613 5.008 4.340 0.092 0.000 0.310 165 R C -1.606 174.066 176.300 -1.046 0.000 0.955 165 R CA -0.422 55.133 56.100 -0.909 0.000 0.853 165 R CB 1.091 31.071 30.300 -0.533 0.000 1.171 165 R HN 0.538 nan 8.270 nan 0.000 0.449 166 F N 2.062 121.580 119.950 -0.720 0.000 2.399 166 F HA 0.531 5.112 4.527 0.091 0.000 0.328 166 F C 0.559 175.961 175.800 -0.663 0.000 1.084 166 F CA -0.065 57.361 58.000 -0.957 0.000 1.053 166 F CB 2.045 39.944 39.000 -1.835 0.000 1.209 166 F HN 0.645 nan 8.300 nan 0.000 0.502 167 S N -1.093 114.462 115.700 -0.242 0.000 2.636 167 S HA 0.641 5.166 4.470 0.092 0.000 0.268 167 S C -0.659 174.037 174.600 0.160 0.000 1.159 167 S CA -0.884 57.323 58.200 0.011 0.000 0.815 167 S CB 1.338 64.528 63.200 -0.017 0.000 1.130 167 S HN 0.722 nan 8.310 nan 0.000 0.471 168 T N -1.732 112.942 114.554 0.201 0.000 2.888 168 T HA 0.741 5.146 4.350 0.092 0.000 0.283 168 T C 0.708 175.504 174.700 0.160 0.000 1.013 168 T CA -0.166 62.059 62.100 0.207 0.000 0.938 168 T CB 0.601 69.589 68.868 0.200 0.000 1.298 168 T HN 0.668 nan 8.240 nan 0.000 0.580 169 V N -0.258 119.749 119.914 0.156 0.000 2.996 169 V HA 0.125 4.300 4.120 0.092 0.000 0.235 169 V C 2.704 178.858 176.094 0.101 0.000 1.205 169 V CA 0.273 62.665 62.300 0.153 0.000 1.225 169 V CB -0.215 31.742 31.823 0.223 0.000 0.995 169 V HN 0.862 nan 8.190 nan 0.000 0.484 170 Q N 1.222 121.061 119.800 0.065 0.000 2.033 170 Q HA 0.057 4.452 4.340 0.092 0.000 0.196 170 Q C 1.350 177.351 176.000 0.003 0.000 0.970 170 Q CA 1.459 57.266 55.803 0.006 0.000 0.828 170 Q CB -0.390 28.325 28.738 -0.039 0.000 0.895 170 Q HN 0.582 nan 8.270 nan 0.000 0.440 171 G N -0.080 108.731 108.800 0.019 0.000 2.664 171 G HA2 0.327 4.341 3.960 0.092 0.000 0.242 171 G HA3 0.327 4.341 3.960 0.092 0.000 0.242 171 G C 0.189 175.101 174.900 0.021 0.000 1.225 171 G CA 0.097 45.203 45.100 0.010 0.000 0.849 171 G HN 0.361 nan 8.290 nan 0.000 0.581 172 G N -1.176 107.628 108.800 0.007 0.000 2.653 172 G HA2 0.485 4.500 3.960 0.092 0.000 0.265 172 G HA3 0.485 4.500 3.960 0.092 0.000 0.265 172 G C 1.332 176.257 174.900 0.041 0.000 1.237 172 G CA 0.435 45.545 45.100 0.016 0.000 0.946 172 G HN 1.096 nan 8.290 nan 0.000 0.522 173 A N -0.721 122.132 122.820 0.055 0.000 2.070 173 A HA 0.107 4.482 4.320 0.092 0.000 0.220 173 A C 2.232 179.849 177.584 0.055 0.000 1.159 173 A CA 2.012 54.099 52.037 0.084 0.000 0.656 173 A CB -0.402 18.662 19.000 0.107 0.000 0.800 173 A HN 1.107 nan 8.150 nan 0.000 0.453 174 G N -0.257 108.557 108.800 0.025 0.000 3.284 174 G HA2 0.323 4.338 3.960 0.092 0.000 0.236 174 G HA3 0.323 4.338 3.960 0.092 0.000 0.236 174 G C 0.716 175.615 174.900 -0.002 0.000 1.158 174 G CA 0.655 45.755 45.100 0.000 0.000 0.774 174 G HN 0.662 nan 8.290 nan 0.000 0.545 175 S N -0.177 115.531 115.700 0.013 0.000 2.655 175 S HA 0.717 5.242 4.470 0.092 0.000 0.265 175 S C 0.454 175.067 174.600 0.021 0.000 1.240 175 S CA -0.095 58.111 58.200 0.010 0.000 0.986 175 S CB 1.578 64.787 63.200 0.016 0.000 0.985 175 S HN 0.553 nan 8.310 nan 0.000 0.562 176 A N 0.341 123.170 122.820 0.014 0.000 2.340 176 A HA 0.398 4.773 4.320 0.092 0.000 0.268 176 A C 0.665 178.268 177.584 0.031 0.000 1.100 176 A CA -0.599 51.442 52.037 0.007 0.000 0.803 176 A CB -0.086 18.902 19.000 -0.020 0.000 1.043 176 A HN 0.867 nan 8.150 nan 0.000 0.488 177 D N 0.773 121.180 120.400 0.011 0.000 2.103 177 D HA -0.080 4.614 4.640 0.092 0.000 0.199 177 D C 1.609 177.875 176.300 -0.056 0.000 0.978 177 D CA 2.279 56.292 54.000 0.021 0.000 0.829 177 D CB -0.282 40.486 40.800 -0.053 0.000 0.981 177 D HN 0.688 nan 8.370 nan 0.000 0.464 178 T N -0.021 114.420 114.554 -0.188 0.000 3.418 178 T HA 0.291 4.696 4.350 0.092 0.000 0.239 178 T C 0.803 175.492 174.700 -0.020 0.000 0.905 178 T CA -0.581 61.416 62.100 -0.170 0.000 0.929 178 T CB -1.000 67.693 68.868 -0.292 0.000 1.121 178 T HN -0.077 nan 8.240 nan 0.000 0.608 179 V N -1.318 118.638 119.914 0.069 0.000 3.385 179 V HA 0.490 4.665 4.120 0.092 0.000 0.301 179 V C 0.661 176.900 176.094 0.240 0.000 1.082 179 V CA -1.515 60.875 62.300 0.150 0.000 1.085 179 V CB 0.556 32.459 31.823 0.133 0.000 1.152 179 V HN 0.561 nan 8.190 nan 0.000 0.465 180 R N 1.438 122.130 120.500 0.321 0.000 2.202 180 R HA 0.497 4.892 4.340 0.092 0.000 0.334 180 R C -1.028 175.368 176.300 0.160 0.000 1.036 180 R CA -0.097 56.157 56.100 0.256 0.000 0.878 180 R CB 0.228 30.618 30.300 0.150 0.000 1.067 180 R HN 1.061 nan 8.270 nan 0.000 0.457 181 D N 3.333 123.839 120.400 0.176 0.000 2.725 181 D HA 0.195 4.890 4.640 0.092 0.000 0.292 181 D C -0.653 175.777 176.300 0.216 0.000 1.288 181 D CA -0.607 53.491 54.000 0.162 0.000 0.784 181 D CB 1.243 42.134 40.800 0.153 0.000 1.308 181 D HN 0.237 nan 8.370 nan 0.000 0.429 182 I N 1.204 121.924 120.570 0.250 0.000 2.823 182 I HA 0.287 4.512 4.170 0.092 0.000 0.290 182 I C 0.792 177.057 176.117 0.248 0.000 1.091 182 I CA -0.166 61.288 61.300 0.257 0.000 1.365 182 I CB 0.278 38.468 38.000 0.316 0.000 1.427 182 I HN 0.262 nan 8.210 nan 0.000 0.583 183 R N 2.327 122.971 120.500 0.241 0.000 2.637 183 R HA 0.552 4.947 4.340 0.092 0.000 0.291 183 R C -0.152 176.262 176.300 0.189 0.000 0.963 183 R CA -0.743 55.497 56.100 0.234 0.000 0.901 183 R CB 1.560 32.025 30.300 0.274 0.000 1.160 183 R HN 0.800 nan 8.270 nan 0.000 0.457 184 G N 1.015 109.888 108.800 0.121 0.000 2.400 184 G HA2 0.480 4.495 3.960 0.092 0.000 0.301 184 G HA3 0.480 4.495 3.960 0.092 0.000 0.301 184 G C -1.286 173.619 174.900 0.009 0.000 1.154 184 G CA -0.091 45.042 45.100 0.056 0.000 0.852 184 G HN 0.353 nan 8.290 nan 0.000 0.511 185 F N 2.142 121.971 119.950 -0.202 0.000 2.771 185 F HA 0.647 5.229 4.527 0.092 0.000 0.365 185 F C -0.136 175.369 175.800 -0.491 0.000 1.169 185 F CA -1.832 55.954 58.000 -0.356 0.000 1.093 185 F CB 1.087 39.983 39.000 -0.172 0.000 1.363 185 F HN 0.648 nan 8.300 nan 0.000 0.496 186 A N 3.372 125.914 122.820 -0.464 0.000 2.318 186 A HA 0.790 5.165 4.320 0.092 0.000 0.324 186 A C -0.608 176.507 177.584 -0.782 0.000 1.170 186 A CA -0.434 51.163 52.037 -0.734 0.000 0.810 186 A CB 0.816 18.998 19.000 -1.363 0.000 1.198 186 A HN 0.537 nan 8.150 nan 0.000 0.484 187 T N 2.282 116.548 114.554 -0.480 0.000 2.809 187 T HA 0.408 4.813 4.350 0.092 0.000 0.284 187 T C -0.394 174.104 174.700 -0.337 0.000 0.992 187 T CA -0.499 61.327 62.100 -0.457 0.000 0.957 187 T CB 1.101 69.648 68.868 -0.536 0.000 0.942 187 T HN 0.647 nan 8.240 nan 0.000 0.439 188 K N 3.535 123.811 120.400 -0.207 0.000 2.263 188 K HA 0.475 4.850 4.320 0.092 0.000 0.272 188 K C -1.344 174.915 176.600 -0.569 0.000 1.033 188 K CA -0.607 55.491 56.287 -0.314 0.000 0.884 188 K CB 0.388 32.672 32.500 -0.360 0.000 1.107 188 K HN 0.382 nan 8.250 nan 0.000 0.460 189 F N 4.194 123.843 119.950 -0.501 0.000 2.385 189 F HA 0.251 4.833 4.527 0.092 0.000 0.360 189 F C -0.443 175.144 175.800 -0.353 0.000 1.122 189 F CA -0.630 57.143 58.000 -0.379 0.000 1.090 189 F CB 0.758 39.462 39.000 -0.494 0.000 1.150 189 F HN 0.442 nan 8.300 nan 0.000 0.472 190 Y N 1.839 122.203 120.300 0.106 0.000 2.632 190 Y HA 0.214 4.818 4.550 0.091 0.000 0.336 190 Y C 1.063 177.021 175.900 0.097 0.000 1.237 190 Y CA -0.855 57.286 58.100 0.069 0.000 1.595 190 Y CB -0.344 38.147 38.460 0.051 0.000 1.508 190 Y HN 0.546 nan 8.280 nan 0.000 0.480 191 T N -2.615 112.033 114.554 0.157 0.000 2.847 191 T HA 0.172 4.576 4.350 0.092 0.000 0.279 191 T C 0.984 175.774 174.700 0.150 0.000 0.984 191 T CA -0.710 61.487 62.100 0.163 0.000 0.988 191 T CB 1.078 70.014 68.868 0.113 0.000 1.040 191 T HN 0.630 nan 8.240 nan 0.000 0.528 192 E N -0.040 120.252 120.200 0.154 0.000 2.418 192 E HA -0.025 4.380 4.350 0.092 0.000 0.197 192 E C 0.954 177.616 176.600 0.103 0.000 1.026 192 E CA 0.619 57.092 56.400 0.121 0.000 0.862 192 E CB 0.131 29.900 29.700 0.116 0.000 0.799 192 E HN 0.725 nan 8.360 nan 0.000 0.518 193 E N 0.193 120.455 120.200 0.103 0.000 2.734 193 E HA 0.265 4.670 4.350 0.092 0.000 0.211 193 E C 0.077 176.717 176.600 0.065 0.000 0.991 193 E CA -0.258 56.194 56.400 0.087 0.000 1.065 193 E CB 1.369 31.124 29.700 0.092 0.000 1.047 193 E HN 0.174 nan 8.360 nan 0.000 0.470 194 G N 1.154 109.986 108.800 0.054 0.000 2.406 194 G HA2 -0.091 3.924 3.960 0.092 0.000 0.680 194 G HA3 -0.091 3.924 3.960 0.092 0.000 0.680 194 G C -0.852 174.043 174.900 -0.008 0.000 1.338 194 G CA -1.118 43.987 45.100 0.009 0.000 0.941 194 G HN 0.082 nan 8.290 nan 0.000 0.633 195 I N 0.712 121.238 120.570 -0.073 0.000 2.496 195 I HA 0.403 4.628 4.170 0.092 0.000 0.285 195 I C -0.006 176.098 176.117 -0.022 0.000 1.080 195 I CA -0.180 61.055 61.300 -0.108 0.000 1.404 195 I CB 0.861 38.728 38.000 -0.222 0.000 1.403 195 I HN 0.457 nan 8.210 nan 0.000 0.539 196 F N 6.851 126.683 119.950 -0.196 0.000 2.427 196 F HA 0.442 5.024 4.527 0.092 0.000 0.348 196 F C -0.797 174.966 175.800 -0.061 0.000 1.125 196 F CA -1.202 56.676 58.000 -0.203 0.000 0.989 196 F CB 0.727 39.438 39.000 -0.481 0.000 1.165 196 F HN 0.317 nan 8.300 nan 0.000 0.442 197 D N 6.785 127.008 120.400 -0.293 0.000 2.233 197 D HA 0.271 4.966 4.640 0.092 0.000 0.240 197 D C -0.706 175.174 176.300 -0.701 0.000 1.074 197 D CA 0.002 53.779 54.000 -0.372 0.000 0.838 197 D CB 2.433 43.217 40.800 -0.027 0.000 1.124 197 D HN 0.647 nan 8.370 nan 0.000 0.475 198 L N 3.195 123.987 121.223 -0.719 0.000 2.297 198 L HA 0.280 4.675 4.340 0.092 0.000 0.277 198 L C -0.995 175.699 176.870 -0.294 0.000 1.040 198 L CA -0.660 53.823 54.840 -0.595 0.000 0.867 198 L CB 0.744 42.455 42.059 -0.581 0.000 1.244 198 L HN 0.055 nan 8.230 nan 0.000 0.433 199 V N 5.132 124.926 119.914 -0.201 0.000 2.284 199 V HA 0.501 4.676 4.120 0.092 0.000 0.260 199 V C 0.827 176.882 176.094 -0.065 0.000 1.084 199 V CA -0.258 61.944 62.300 -0.163 0.000 0.894 199 V CB 0.442 32.162 31.823 -0.173 0.000 1.119 199 V HN 0.804 nan 8.190 nan 0.000 0.484 200 G N 3.412 112.176 108.800 -0.061 0.000 3.016 200 G HA2 0.666 4.681 3.960 0.092 0.000 0.270 200 G HA3 0.666 4.681 3.960 0.092 0.000 0.270 200 G C -0.907 174.028 174.900 0.058 0.000 1.352 200 G CA -0.634 44.469 45.100 0.005 0.000 1.060 200 G HN 0.484 nan 8.290 nan 0.000 0.538 201 N N -0.947 117.819 118.700 0.109 0.000 2.701 201 N HA 0.263 5.058 4.740 0.092 0.000 0.290 201 N C 0.303 175.970 175.510 0.261 0.000 1.338 201 N CA -0.769 52.381 53.050 0.167 0.000 0.799 201 N CB 1.307 39.871 38.487 0.129 0.000 1.491 201 N HN 0.533 nan 8.380 nan 0.000 0.540 202 N N -1.326 117.542 118.700 0.279 0.000 2.268 202 N HA 0.006 4.801 4.740 0.092 0.000 0.204 202 N C -0.673 175.076 175.510 0.398 0.000 1.124 202 N CA -0.110 53.156 53.050 0.360 0.000 0.838 202 N CB -0.124 38.555 38.487 0.320 0.000 0.994 202 N HN 0.539 nan 8.380 nan 0.000 0.489 203 T N -3.397 111.248 114.554 0.152 0.000 2.909 203 T HA 0.433 4.838 4.350 0.092 0.000 0.299 203 T C -2.591 171.597 174.700 -0.855 0.000 1.073 203 T CA -1.557 60.252 62.100 -0.484 0.000 0.999 203 T CB 3.008 71.466 68.868 -0.683 0.000 1.098 203 T HN -0.249 nan 8.240 nan 0.000 0.477 204 P HA 0.163 nan 4.420 nan 0.000 0.245 204 P C 0.489 177.266 177.300 -0.871 0.000 1.212 204 P CA 0.167 62.373 63.100 -1.490 0.000 0.774 204 P CB -0.053 30.653 31.700 -1.657 0.000 0.999 205 I N -4.584 115.451 120.570 -0.890 0.000 3.174 205 I HA 0.531 4.755 4.170 0.092 0.000 0.313 205 I C -1.184 174.660 176.117 -0.454 0.000 1.155 205 I CA -1.981 58.947 61.300 -0.620 0.000 0.977 205 I CB 1.438 39.020 38.000 -0.696 0.000 1.248 205 I HN -0.250 nan 8.210 nan 0.000 0.453 206 F N 0.736 120.415 119.950 -0.451 0.000 2.518 206 F HA 0.486 5.068 4.527 0.091 0.000 0.338 206 F C 0.478 176.050 175.800 -0.380 0.000 1.065 206 F CA -0.705 57.075 58.000 -0.367 0.000 1.012 206 F CB 1.758 40.658 39.000 -0.167 0.000 1.297 206 F HN 0.401 nan 8.300 nan 0.000 0.489 207 F N 2.087 121.179 119.950 -1.430 0.000 2.259 207 F HA 0.018 4.600 4.527 0.092 0.000 0.298 207 F C 0.728 176.191 175.800 -0.562 0.000 1.088 207 F CA 0.867 58.245 58.000 -1.036 0.000 1.358 207 F CB -0.088 37.895 39.000 -1.694 0.000 1.040 207 F HN 0.139 nan 8.300 nan 0.000 0.505 208 I N -3.167 117.317 120.570 -0.142 0.000 2.957 208 I HA 0.357 4.582 4.170 0.092 0.000 0.310 208 I C 0.413 176.682 176.117 0.253 0.000 1.063 208 I CA -0.829 60.547 61.300 0.127 0.000 1.033 208 I CB 1.823 39.960 38.000 0.227 0.000 1.230 208 I HN -0.118 nan 8.210 nan 0.000 0.447 209 Q N 0.374 120.321 119.800 0.245 0.000 2.259 209 Q HA 0.122 4.517 4.340 0.092 0.000 0.201 209 Q C -0.283 175.888 176.000 0.286 0.000 0.938 209 Q CA 0.666 56.655 55.803 0.310 0.000 0.872 209 Q CB 0.428 29.408 28.738 0.403 0.000 0.971 209 Q HN 0.654 nan 8.270 nan 0.000 0.494 210 D N -1.033 119.505 120.400 0.230 0.000 2.505 210 D HA 0.311 5.006 4.640 0.092 0.000 0.249 210 D C 0.020 176.444 176.300 0.206 0.000 1.082 210 D CA -0.236 53.869 54.000 0.174 0.000 0.839 210 D CB 1.832 42.703 40.800 0.119 0.000 1.317 210 D HN 0.048 nan 8.370 nan 0.000 0.497 211 A N 3.374 126.286 122.820 0.154 0.000 2.076 211 A HA -0.241 4.134 4.320 0.092 0.000 0.220 211 A C 1.783 179.477 177.584 0.184 0.000 1.160 211 A CA 1.713 53.835 52.037 0.141 0.000 0.653 211 A CB -0.770 18.255 19.000 0.042 0.000 0.801 211 A HN 0.818 nan 8.150 nan 0.000 0.455 212 H N -0.039 119.084 119.070 0.089 0.000 2.456 212 H HA 0.001 4.612 4.556 0.092 0.000 0.296 212 H C 1.528 176.924 175.328 0.113 0.000 1.079 212 H CA 1.854 57.945 56.048 0.071 0.000 1.322 212 H CB 0.066 29.847 29.762 0.032 0.000 1.388 212 H HN 0.405 nan 8.280 nan 0.000 0.538 213 K N -0.557 119.960 120.400 0.196 0.000 2.404 213 K HA -0.027 4.348 4.320 0.092 0.000 0.194 213 K C 1.262 177.986 176.600 0.207 0.000 1.023 213 K CA -0.075 56.325 56.287 0.189 0.000 1.094 213 K CB 0.099 32.769 32.500 0.283 0.000 0.841 213 K HN 0.275 nan 8.250 nan 0.000 0.523 214 F N 3.167 123.161 119.950 0.073 0.000 2.091 214 F HA -0.169 4.413 4.527 0.091 0.000 0.299 214 F C -1.002 174.799 175.800 0.003 0.000 1.103 214 F CA 1.534 59.595 58.000 0.101 0.000 1.228 214 F CB -0.473 38.567 39.000 0.066 0.000 0.984 214 F HN 0.030 nan 8.300 nan 0.000 0.477 215 P HA -0.138 nan 4.420 nan 0.000 0.217 215 P C 1.033 178.019 177.300 -0.523 0.000 1.150 215 P CA 1.751 64.606 63.100 -0.408 0.000 0.832 215 P CB -0.090 31.389 31.700 -0.369 0.000 0.787 216 D N -1.137 119.099 120.400 -0.273 0.000 2.084 216 D HA -0.159 4.536 4.640 0.092 0.000 0.194 216 D C 1.847 177.873 176.300 -0.456 0.000 0.990 216 D CA 1.048 54.936 54.000 -0.188 0.000 0.826 216 D CB -0.898 39.968 40.800 0.111 0.000 0.971 216 D HN 0.141 nan 8.370 nan 0.000 0.453 217 F N 1.878 121.410 119.950 -0.696 0.000 2.069 217 F HA -0.239 4.343 4.527 0.092 0.000 0.298 217 F C 2.297 177.715 175.800 -0.637 0.000 1.113 217 F CA 1.222 58.615 58.000 -1.010 0.000 1.214 217 F CB -0.215 38.420 39.000 -0.608 0.000 0.978 217 F HN -0.245 nan 8.300 nan 0.000 0.474 218 V N 0.275 119.799 119.914 -0.650 0.000 2.343 218 V HA -0.337 3.837 4.120 0.092 0.000 0.247 218 V C 2.292 178.189 176.094 -0.328 0.000 1.051 218 V CA 2.426 64.385 62.300 -0.568 0.000 1.036 218 V CB -1.084 30.412 31.823 -0.545 0.000 0.654 218 V HN 0.474 nan 8.190 nan 0.000 0.451 219 H N -0.151 118.703 119.070 -0.361 0.000 2.352 219 H HA -0.166 4.445 4.556 0.092 0.000 0.299 219 H C 2.353 177.538 175.328 -0.237 0.000 1.097 219 H CA 1.131 57.041 56.048 -0.230 0.000 1.311 219 H CB -0.002 29.671 29.762 -0.148 0.000 1.377 219 H HN 0.486 nan 8.280 nan 0.000 0.504 220 A N 0.432 123.099 122.820 -0.255 0.000 1.902 220 A HA -0.133 4.242 4.320 0.092 0.000 0.217 220 A C 2.534 179.980 177.584 -0.231 0.000 1.181 220 A CA 1.575 53.451 52.037 -0.267 0.000 0.623 220 A CB -0.768 17.951 19.000 -0.468 0.000 0.818 220 A HN 0.310 nan 8.150 nan 0.000 0.443 221 V N -0.225 119.430 119.914 -0.433 0.000 2.649 221 V HA -0.004 4.171 4.120 0.092 0.000 0.248 221 V C 0.935 177.002 176.094 -0.045 0.000 1.054 221 V CA 0.807 62.922 62.300 -0.307 0.000 1.073 221 V CB -0.465 30.966 31.823 -0.653 0.000 0.699 221 V HN 0.353 nan 8.190 nan 0.000 0.463 222 K N 1.018 121.352 120.400 -0.110 0.000 2.234 222 K HA 0.189 4.564 4.320 0.092 0.000 0.251 222 K C -2.278 174.265 176.600 -0.095 0.000 1.011 222 K CA -1.508 54.725 56.287 -0.090 0.000 0.889 222 K CB -0.477 31.964 32.500 -0.098 0.000 1.011 222 K HN 0.177 nan 8.250 nan 0.000 0.505 223 P HA -0.033 nan 4.420 nan 0.000 0.264 223 P C -0.566 176.666 177.300 -0.114 0.000 1.183 223 P CA 0.458 63.414 63.100 -0.241 0.000 0.763 223 P CB 0.307 31.878 31.700 -0.215 0.000 0.807 224 E N 5.834 126.017 120.200 -0.028 0.000 2.415 224 E HA -0.025 4.380 4.350 0.092 0.000 0.262 224 E C -1.216 175.452 176.600 0.112 0.000 1.038 224 E CA -1.251 55.242 56.400 0.155 0.000 0.921 224 E CB 0.041 29.971 29.700 0.384 0.000 0.950 224 E HN 0.430 nan 8.360 nan 0.000 0.438 225 P HA -0.220 nan 4.420 nan 0.000 0.220 225 P C 1.006 178.378 177.300 0.120 0.000 1.148 225 P CA 1.478 64.619 63.100 0.068 0.000 0.803 225 P CB 0.009 31.724 31.700 0.026 0.000 0.782 226 H N -0.795 118.316 119.070 0.069 0.000 2.333 226 H HA -0.079 4.533 4.556 0.092 0.000 0.302 226 H C 1.558 176.992 175.328 0.176 0.000 1.075 226 H CA 1.473 57.549 56.048 0.048 0.000 1.348 226 H CB -1.417 28.301 29.762 -0.073 0.000 1.393 226 H HN 0.313 nan 8.280 nan 0.000 0.509 227 W N -0.002 120.930 121.300 -0.614 0.000 2.870 227 W HA 0.700 5.415 4.660 0.092 0.000 0.358 227 W C 0.476 176.830 176.519 -0.276 0.000 1.043 227 W CA -1.071 56.048 57.345 -0.377 0.000 1.692 227 W CB -0.741 28.472 29.460 -0.412 0.000 1.100 227 W HN 0.447 nan 8.180 nan 0.000 0.557 228 A N 1.209 123.992 122.820 -0.062 0.000 2.667 228 A HA -0.145 4.230 4.320 0.092 0.000 0.298 228 A C -0.433 176.906 177.584 -0.408 0.000 1.483 228 A CA 1.384 53.309 52.037 -0.186 0.000 0.738 228 A CB -2.413 16.508 19.000 -0.131 0.000 1.067 228 A HN 0.461 nan 8.150 nan 0.000 0.451 229 I N 0.511 120.677 120.570 -0.673 0.000 2.647 229 I HA 0.575 4.800 4.170 0.092 0.000 0.295 229 I C -2.462 173.324 176.117 -0.552 0.000 1.078 229 I CA -2.387 58.420 61.300 -0.821 0.000 1.048 229 I CB 3.008 40.027 38.000 -1.635 0.000 1.239 229 I HN 0.227 nan 8.210 nan 0.000 0.421 230 P HA 0.324 nan 4.420 nan 0.000 0.292 230 P C -1.622 175.507 177.300 -0.285 0.000 1.308 230 P CA -0.866 62.003 63.100 -0.384 0.000 0.933 230 P CB 1.704 33.258 31.700 -0.244 0.000 1.217 231 Q N 0.647 120.327 119.800 -0.199 0.000 2.286 231 Q HA 0.484 4.879 4.340 0.092 0.000 0.257 231 Q C 1.100 177.061 176.000 -0.065 0.000 0.941 231 Q CA 1.020 56.746 55.803 -0.129 0.000 0.912 231 Q CB -0.331 28.343 28.738 -0.107 0.000 1.192 231 Q HN 0.816 nan 8.270 nan 0.000 0.410 232 G N 3.211 111.986 108.800 -0.043 0.000 2.225 232 G HA2 -0.298 3.717 3.960 0.092 0.000 0.267 232 G HA3 -0.298 3.717 3.960 0.092 0.000 0.267 232 G C -0.418 174.502 174.900 0.034 0.000 1.024 232 G CA 0.656 45.759 45.100 0.006 0.000 0.784 232 G HN 0.543 nan 8.290 nan 0.000 0.507 233 Q N -1.181 118.624 119.800 0.008 0.000 2.315 233 Q HA 0.545 4.940 4.340 0.092 0.000 0.273 233 Q C 0.727 176.750 176.000 0.039 0.000 1.053 233 Q CA -0.129 55.708 55.803 0.057 0.000 0.817 233 Q CB 1.799 30.610 28.738 0.122 0.000 1.326 233 Q HN 0.449 nan 8.270 nan 0.000 0.423 234 S N -0.551 115.083 115.700 -0.109 0.000 2.575 234 S HA 0.208 4.733 4.470 0.092 0.000 0.215 234 S C 0.880 175.444 174.600 -0.060 0.000 0.966 234 S CA -0.002 57.909 58.200 -0.481 0.000 0.911 234 S CB 0.369 62.752 63.200 -1.362 0.000 0.780 234 S HN 0.590 nan 8.310 nan 0.000 0.514 235 A N 2.351 125.333 122.820 0.269 0.000 3.063 235 A HA 0.521 4.896 4.320 0.092 0.000 0.263 235 A C 0.089 177.923 177.584 0.418 0.000 1.736 235 A CA -0.568 51.712 52.037 0.405 0.000 1.408 235 A CB -1.257 17.906 19.000 0.272 0.000 1.108 235 A HN 0.893 nan 8.150 nan 0.000 0.621 236 H N -3.549 115.724 119.070 0.337 0.000 3.042 236 H HA 0.499 5.111 4.556 0.092 0.000 0.346 236 H C -0.235 175.289 175.328 0.326 0.000 1.294 236 H CA -0.759 55.447 56.048 0.262 0.000 1.141 236 H CB 0.314 30.190 29.762 0.190 0.000 1.872 236 H HN 0.072 nan 8.280 nan 0.000 0.541 237 D N 0.382 120.943 120.400 0.268 0.000 2.126 237 D HA -0.240 4.455 4.640 0.092 0.000 0.190 237 D C 2.166 178.522 176.300 0.094 0.000 1.001 237 D CA 3.267 57.364 54.000 0.162 0.000 0.841 237 D CB -0.441 40.433 40.800 0.123 0.000 0.949 237 D HN 0.799 nan 8.370 nan 0.000 0.446 238 T N -1.610 112.993 114.554 0.082 0.000 2.788 238 T HA -0.219 4.186 4.350 0.092 0.000 0.268 238 T C 1.915 176.553 174.700 -0.104 0.000 1.044 238 T CA 0.866 62.983 62.100 0.028 0.000 1.139 238 T CB -0.743 68.195 68.868 0.117 0.000 0.867 238 T HN 0.159 nan 8.240 nan 0.000 0.454 239 F N 0.943 120.577 119.950 -0.526 0.000 2.051 239 F HA 0.051 4.633 4.527 0.092 0.000 0.296 239 F C 1.980 177.519 175.800 -0.434 0.000 1.122 239 F CA 0.859 58.478 58.000 -0.635 0.000 1.201 239 F CB -0.745 37.682 39.000 -0.955 0.000 0.978 239 F HN 0.162 nan 8.300 nan 0.000 0.472 240 W N 0.705 121.920 121.300 -0.142 0.000 2.374 240 W HA -0.160 4.555 4.660 0.092 0.000 0.288 240 W C 2.386 178.818 176.519 -0.145 0.000 1.218 240 W CA 1.164 58.415 57.345 -0.156 0.000 1.245 240 W CB -0.744 28.712 29.460 -0.006 0.000 1.126 240 W HN 0.109 nan 8.180 nan 0.000 0.545 241 D N -0.620 119.822 120.400 0.070 0.000 2.092 241 D HA -0.305 4.390 4.640 0.092 0.000 0.193 241 D C 1.887 178.190 176.300 0.005 0.000 0.994 241 D CA 1.633 55.658 54.000 0.042 0.000 0.828 241 D CB -0.653 40.179 40.800 0.054 0.000 0.963 241 D HN 0.194 nan 8.370 nan 0.000 0.450 242 Y N 0.449 120.650 120.300 -0.165 0.000 2.081 242 Y HA -0.250 4.355 4.550 0.092 0.000 0.280 242 Y C 2.333 178.110 175.900 -0.205 0.000 1.163 242 Y CA 1.822 59.812 58.100 -0.183 0.000 1.135 242 Y CB -0.499 37.813 38.460 -0.247 0.000 0.970 242 Y HN -0.092 nan 8.280 nan 0.000 0.498 243 V N 0.138 119.943 119.914 -0.180 0.000 2.287 243 V HA -0.366 3.809 4.120 0.092 0.000 0.248 243 V C 2.615 178.654 176.094 -0.092 0.000 1.053 243 V CA 2.304 64.487 62.300 -0.196 0.000 1.027 243 V CB -1.336 30.275 31.823 -0.353 0.000 0.646 243 V HN 0.673 nan 8.190 nan 0.000 0.447 244 S N -0.136 115.553 115.700 -0.018 0.000 2.419 244 S HA -0.105 4.420 4.470 0.092 0.000 0.235 244 S C 1.717 176.279 174.600 -0.062 0.000 1.019 244 S CA 1.552 59.758 58.200 0.010 0.000 0.982 244 S CB -0.504 62.731 63.200 0.058 0.000 0.789 244 S HN 0.564 nan 8.310 nan 0.000 0.490 245 L N -0.057 121.083 121.223 -0.138 0.000 2.585 245 L HA 0.319 4.714 4.340 0.092 0.000 0.226 245 L C 0.439 177.136 176.870 -0.288 0.000 1.113 245 L CA 0.107 54.839 54.840 -0.181 0.000 0.876 245 L CB 0.048 42.002 42.059 -0.174 0.000 1.072 245 L HN 0.255 nan 8.230 nan 0.000 0.468 246 Q N 0.196 119.782 119.800 -0.356 0.000 3.090 246 Q HA 0.231 4.626 4.340 0.092 0.000 0.241 246 Q C -1.948 173.833 176.000 -0.365 0.000 0.958 246 Q CA -1.489 54.061 55.803 -0.422 0.000 0.715 246 Q CB 1.588 29.970 28.738 -0.593 0.000 1.298 246 Q HN -0.035 nan 8.270 nan 0.000 0.468 247 P HA -0.237 nan 4.420 nan 0.000 0.221 247 P C 1.049 178.054 177.300 -0.491 0.000 1.145 247 P CA 1.223 64.055 63.100 -0.447 0.000 0.795 247 P CB 0.282 31.644 31.700 -0.563 0.000 0.775 248 E N 0.728 120.517 120.200 -0.686 0.000 2.171 248 E HA -0.212 4.193 4.350 0.092 0.000 0.197 248 E C 1.571 178.137 176.600 -0.056 0.000 0.997 248 E CA 2.046 58.314 56.400 -0.221 0.000 0.810 248 E CB -1.446 28.193 29.700 -0.102 0.000 0.738 248 E HN 0.296 nan 8.360 nan 0.000 0.467 249 T N -0.491 114.032 114.554 -0.052 0.000 3.007 249 T HA -0.030 4.375 4.350 0.092 0.000 0.270 249 T C 1.976 176.754 174.700 0.129 0.000 1.107 249 T CA 0.692 62.830 62.100 0.063 0.000 1.118 249 T CB -0.382 68.557 68.868 0.118 0.000 0.889 249 T HN 0.163 nan 8.240 nan 0.000 0.506 250 L N 0.074 121.372 121.223 0.125 0.000 2.079 250 L HA -0.135 4.260 4.340 0.092 0.000 0.210 250 L C 2.861 179.900 176.870 0.282 0.000 1.081 250 L CA 2.024 57.006 54.840 0.236 0.000 0.752 250 L CB -0.790 41.412 42.059 0.239 0.000 0.896 250 L HN 0.488 nan 8.230 nan 0.000 0.433 251 H N -0.006 119.112 119.070 0.081 0.000 2.267 251 H HA -0.220 4.391 4.556 0.092 0.000 0.297 251 H C 2.183 177.508 175.328 -0.006 0.000 1.080 251 H CA 1.912 58.004 56.048 0.073 0.000 1.278 251 H CB 0.172 29.943 29.762 0.014 0.000 1.365 251 H HN 0.362 nan 8.280 nan 0.000 0.489 252 N N -0.163 118.347 118.700 -0.317 0.000 2.309 252 N HA -0.128 4.667 4.740 0.092 0.000 0.182 252 N C 1.940 177.250 175.510 -0.334 0.000 1.018 252 N CA 0.698 53.330 53.050 -0.696 0.000 0.876 252 N CB 0.260 37.825 38.487 -1.538 0.000 0.972 252 N HN 0.124 nan 8.380 nan 0.000 0.434 253 V N 1.566 121.519 119.914 0.065 0.000 2.343 253 V HA -0.246 3.929 4.120 0.092 0.000 0.247 253 V C 2.469 178.719 176.094 0.260 0.000 1.051 253 V CA 1.216 63.733 62.300 0.362 0.000 1.036 253 V CB -0.343 31.760 31.823 0.466 0.000 0.654 253 V HN 0.406 nan 8.190 nan 0.000 0.451 254 M N -1.599 118.180 119.600 0.300 0.000 2.080 254 M HA -0.210 4.325 4.480 0.092 0.000 0.260 254 M C 2.063 178.391 176.300 0.047 0.000 1.068 254 M CA 1.876 57.361 55.300 0.307 0.000 1.109 254 M CB -1.259 31.551 32.600 0.350 0.000 1.342 254 M HN 0.473 nan 8.290 nan 0.000 0.405 255 W N 0.389 121.450 121.300 -0.398 0.000 2.358 255 W HA -0.088 4.627 4.660 0.091 0.000 0.303 255 W C 2.777 179.244 176.519 -0.087 0.000 1.208 255 W CA 1.826 58.919 57.345 -0.421 0.000 1.274 255 W CB -1.003 28.127 29.460 -0.550 0.000 1.138 255 W HN 0.290 nan 8.180 nan 0.000 0.515 256 A N -0.642 122.279 122.820 0.168 0.000 1.930 256 A HA -0.180 4.195 4.320 0.092 0.000 0.217 256 A C 1.934 179.584 177.584 0.109 0.000 1.175 256 A CA 1.672 53.811 52.037 0.170 0.000 0.627 256 A CB -0.616 18.528 19.000 0.241 0.000 0.815 256 A HN 0.091 nan 8.150 nan 0.000 0.443 257 M N 0.783 120.403 119.600 0.032 0.000 2.476 257 M HA 0.003 4.538 4.480 0.092 0.000 0.262 257 M C 1.497 177.840 176.300 0.071 0.000 1.079 257 M CA 0.847 56.098 55.300 -0.081 0.000 1.104 257 M CB -1.459 30.827 32.600 -0.524 0.000 1.409 257 M HN 0.558 nan 8.290 nan 0.000 0.467 258 S N 0.153 115.960 115.700 0.177 0.000 2.641 258 S HA 0.096 4.621 4.470 0.092 0.000 0.261 258 S C 0.784 175.520 174.600 0.228 0.000 1.257 258 S CA -0.461 57.882 58.200 0.239 0.000 0.983 258 S CB 0.931 64.318 63.200 0.312 0.000 0.990 258 S HN 0.185 nan 8.310 nan 0.000 0.572 259 D N 0.216 120.770 120.400 0.255 0.000 2.350 259 D HA 0.009 4.704 4.640 0.092 0.000 0.216 259 D C 1.931 178.384 176.300 0.255 0.000 0.968 259 D CA 0.393 54.567 54.000 0.291 0.000 0.894 259 D CB -0.184 40.858 40.800 0.404 0.000 0.909 259 D HN 0.383 nan 8.370 nan 0.000 0.520 260 R N 0.304 120.946 120.500 0.237 0.000 2.139 260 R HA -0.082 4.313 4.340 0.092 0.000 0.243 260 R C 2.087 178.548 176.300 0.269 0.000 1.145 260 R CA 1.107 57.370 56.100 0.273 0.000 0.976 260 R CB -0.889 29.634 30.300 0.373 0.000 0.866 260 R HN 0.199 nan 8.270 nan 0.000 0.449 261 G N 1.220 110.168 108.800 0.246 0.000 2.679 261 G HA2 -0.025 3.990 3.960 0.092 0.000 0.212 261 G HA3 -0.025 3.990 3.960 0.092 0.000 0.212 261 G C 1.021 176.070 174.900 0.248 0.000 1.137 261 G CA 0.129 45.367 45.100 0.231 0.000 0.787 261 G HN 0.423 nan 8.290 nan 0.000 0.534 262 I N -2.088 118.638 120.570 0.260 0.000 2.948 262 I HA 0.341 4.565 4.170 0.092 0.000 0.308 262 I C -2.813 173.463 176.117 0.265 0.000 1.478 262 I CA -2.547 58.913 61.300 0.267 0.000 0.843 262 I CB 1.575 39.736 38.000 0.267 0.000 2.100 262 I HN -0.266 nan 8.210 nan 0.000 0.625 263 P HA 0.004 nan 4.420 nan 0.000 0.267 263 P C 0.669 178.103 177.300 0.224 0.000 1.200 263 P CA 0.005 63.210 63.100 0.175 0.000 0.772 263 P CB 1.110 32.845 31.700 0.057 0.000 0.855 264 R N 2.409 123.023 120.500 0.191 0.000 2.092 264 R HA -0.044 4.351 4.340 0.092 0.000 0.231 264 R C 0.539 176.984 176.300 0.241 0.000 1.119 264 R CA 1.893 58.153 56.100 0.266 0.000 0.970 264 R CB -0.385 30.040 30.300 0.208 0.000 0.864 264 R HN 0.665 nan 8.270 nan 0.000 0.440 265 S N -3.484 112.149 115.700 -0.112 0.000 2.615 265 S HA 0.188 4.713 4.470 0.092 0.000 0.268 265 S C -0.054 174.221 174.600 -0.542 0.000 1.146 265 S CA -0.812 57.108 58.200 -0.467 0.000 0.818 265 S CB -0.116 62.967 63.200 -0.195 0.000 1.111 265 S HN 0.049 nan 8.310 nan 0.000 0.465 266 Y N 1.020 120.955 120.300 -0.608 0.000 2.333 266 Y HA 0.124 4.729 4.550 0.091 0.000 0.290 266 Y C 2.620 178.185 175.900 -0.558 0.000 1.144 266 Y CA 1.208 58.842 58.100 -0.777 0.000 1.228 266 Y CB -0.567 37.090 38.460 -1.338 0.000 0.985 266 Y HN 0.621 nan 8.280 nan 0.000 0.542 267 R N -0.435 119.930 120.500 -0.224 0.000 2.152 267 R HA -0.085 4.310 4.340 0.092 0.000 0.232 267 R C 1.043 177.297 176.300 -0.077 0.000 1.117 267 R CA 1.615 57.633 56.100 -0.136 0.000 0.981 267 R CB -0.318 29.900 30.300 -0.137 0.000 0.870 267 R HN 0.336 nan 8.270 nan 0.000 0.451 268 T N -1.916 112.609 114.554 -0.048 0.000 3.316 268 T HA 0.362 4.767 4.350 0.092 0.000 0.253 268 T C 0.095 174.831 174.700 0.060 0.000 0.995 268 T CA -0.681 61.421 62.100 0.003 0.000 1.031 268 T CB -0.119 68.738 68.868 -0.019 0.000 1.125 268 T HN 0.068 nan 8.240 nan 0.000 0.539 269 M N -1.207 118.470 119.600 0.127 0.000 2.550 269 M HA 0.724 5.259 4.480 0.092 0.000 0.292 269 M C -1.172 175.297 176.300 0.281 0.000 1.221 269 M CA -0.869 54.544 55.300 0.188 0.000 0.873 269 M CB 2.227 34.931 32.600 0.174 0.000 1.727 269 M HN -0.126 nan 8.290 nan 0.000 0.459 270 E N 0.469 120.831 120.200 0.269 0.000 2.342 270 E HA 0.680 5.085 4.350 0.092 0.000 0.257 270 E C -0.284 176.378 176.600 0.104 0.000 1.150 270 E CA -0.539 55.956 56.400 0.159 0.000 0.926 270 E CB 1.631 31.370 29.700 0.066 0.000 1.074 270 E HN 0.864 nan 8.360 nan 0.000 0.449 271 G N 0.661 109.337 108.800 -0.207 0.000 2.620 271 G HA2 0.615 4.629 3.960 0.092 0.000 0.301 271 G HA3 0.615 4.629 3.960 0.092 0.000 0.301 271 G C -1.557 172.938 174.900 -0.675 0.000 1.347 271 G CA -0.467 44.518 45.100 -0.192 0.000 0.971 271 G HN 0.264 nan 8.290 nan 0.000 0.488 272 F N -0.061 119.842 119.950 -0.079 0.000 2.591 272 F HA 0.506 5.088 4.527 0.091 0.000 0.309 272 F C 1.091 176.813 175.800 -0.129 0.000 1.098 272 F CA -0.484 57.393 58.000 -0.206 0.000 0.937 272 F CB 2.581 41.406 39.000 -0.292 0.000 1.250 272 F HN 0.607 nan 8.300 nan 0.000 0.447 273 G N 1.050 109.923 108.800 0.120 0.000 2.572 273 G HA2 0.095 4.109 3.960 0.092 0.000 0.216 273 G HA3 0.095 4.109 3.960 0.092 0.000 0.216 273 G C 1.243 176.214 174.900 0.119 0.000 1.133 273 G CA 0.899 46.127 45.100 0.214 0.000 0.791 273 G HN 0.803 nan 8.290 nan 0.000 0.538 274 I N -1.159 119.405 120.570 -0.010 0.000 4.624 274 I HA -0.324 3.901 4.170 0.092 0.000 0.049 274 I C 0.523 176.525 176.117 -0.192 0.000 0.621 274 I CA 1.518 62.688 61.300 -0.217 0.000 0.836 274 I CB -1.204 36.560 38.000 -0.393 0.000 0.765 274 I HN 0.249 nan 8.210 nan 0.000 0.159 275 H N 2.367 121.460 119.070 0.040 0.000 2.771 275 H HA 0.211 4.822 4.556 0.091 0.000 0.364 275 H C 0.113 175.390 175.328 -0.085 0.000 1.133 275 H CA 0.576 56.560 56.048 -0.107 0.000 1.423 275 H CB 0.341 29.892 29.762 -0.353 0.000 1.425 275 H HN 0.191 nan 8.280 nan 0.000 0.606 276 T N 4.251 118.781 114.554 -0.040 0.000 2.779 276 T HA 0.222 4.627 4.350 0.092 0.000 0.296 276 T C 0.287 174.927 174.700 -0.101 0.000 0.938 276 T CA 0.074 62.132 62.100 -0.069 0.000 1.119 276 T CB -0.170 68.593 68.868 -0.175 0.000 0.891 276 T HN 0.240 nan 8.240 nan 0.000 0.526 277 F N 1.462 121.378 119.950 -0.057 0.000 2.629 277 F HA 0.670 5.252 4.527 0.091 0.000 0.386 277 F C 1.010 176.773 175.800 -0.061 0.000 1.135 277 F CA -1.273 56.721 58.000 -0.010 0.000 1.116 277 F CB 1.372 40.350 39.000 -0.036 0.000 1.426 277 F HN 0.198 nan 8.300 nan 0.000 0.501 278 R N 0.549 121.124 120.500 0.124 0.000 2.750 278 R HA 0.642 5.037 4.340 0.092 0.000 0.281 278 R C -1.728 174.462 176.300 -0.183 0.000 0.972 278 R CA -0.911 55.126 56.100 -0.104 0.000 0.912 278 R CB 2.144 32.319 30.300 -0.208 0.000 1.187 278 R HN 0.427 nan 8.270 nan 0.000 0.464 279 L N 3.424 124.486 121.223 -0.268 0.000 2.317 279 L HA 0.548 4.943 4.340 0.092 0.000 0.281 279 L C -0.568 176.146 176.870 -0.259 0.000 1.024 279 L CA -0.934 53.754 54.840 -0.254 0.000 0.810 279 L CB 1.460 43.366 42.059 -0.255 0.000 1.240 279 L HN 0.385 nan 8.230 nan 0.000 0.427 280 I N 2.986 123.429 120.570 -0.213 0.000 2.447 280 I HA 0.263 4.488 4.170 0.092 0.000 0.287 280 I C -0.262 175.769 176.117 -0.143 0.000 1.023 280 I CA -0.707 60.470 61.300 -0.205 0.000 1.083 280 I CB 1.463 39.347 38.000 -0.192 0.000 1.245 280 I HN 0.615 nan 8.210 nan 0.000 0.434 281 N N 4.958 123.586 118.700 -0.121 0.000 2.476 281 N HA 0.382 5.177 4.740 0.092 0.000 0.287 281 N C 0.857 176.326 175.510 -0.068 0.000 1.262 281 N CA -0.383 52.617 53.050 -0.085 0.000 0.980 281 N CB 0.537 38.982 38.487 -0.069 0.000 1.163 281 N HN 0.516 nan 8.380 nan 0.000 0.592 282 A N -0.814 121.975 122.820 -0.051 0.000 2.015 282 A HA -0.078 4.297 4.320 0.092 0.000 0.219 282 A C 1.477 179.040 177.584 -0.035 0.000 1.163 282 A CA 1.181 53.194 52.037 -0.040 0.000 0.646 282 A CB -0.713 18.269 19.000 -0.030 0.000 0.806 282 A HN 0.718 nan 8.150 nan 0.000 0.448 283 E N -1.388 118.792 120.200 -0.033 0.000 2.502 283 E HA 0.275 4.680 4.350 0.092 0.000 0.194 283 E C 1.240 177.829 176.600 -0.019 0.000 1.062 283 E CA 0.767 57.152 56.400 -0.025 0.000 0.867 283 E CB -0.072 29.615 29.700 -0.022 0.000 0.888 283 E HN 0.715 nan 8.360 nan 0.000 0.510 284 G N 1.099 109.884 108.800 -0.025 0.000 2.175 284 G HA2 -0.351 3.664 3.960 0.092 0.000 0.244 284 G HA3 -0.351 3.664 3.960 0.092 0.000 0.244 284 G C 0.318 175.231 174.900 0.023 0.000 0.982 284 G CA 0.257 45.360 45.100 0.004 0.000 0.641 284 G HN 0.282 nan 8.290 nan 0.000 0.527 285 K N 0.902 121.279 120.400 -0.039 0.000 2.322 285 K HA 0.645 5.020 4.320 0.092 0.000 0.283 285 K C 0.593 177.059 176.600 -0.223 0.000 1.042 285 K CA 0.224 56.461 56.287 -0.083 0.000 0.958 285 K CB 0.519 32.973 32.500 -0.077 0.000 0.984 285 K HN 0.601 nan 8.250 nan 0.000 0.473 286 A N 3.546 126.128 122.820 -0.397 0.000 2.301 286 A HA 0.437 4.812 4.320 0.092 0.000 0.312 286 A C -0.762 176.507 177.584 -0.525 0.000 1.182 286 A CA -0.513 51.124 52.037 -0.667 0.000 0.826 286 A CB 1.170 19.328 19.000 -1.403 0.000 1.134 286 A HN 0.735 nan 8.150 nan 0.000 0.501 287 T N 2.239 116.515 114.554 -0.464 0.000 2.848 287 T HA 0.517 4.922 4.350 0.092 0.000 0.285 287 T C -0.722 173.762 174.700 -0.361 0.000 0.995 287 T CA -0.113 61.767 62.100 -0.366 0.000 0.970 287 T CB 0.437 69.181 68.868 -0.207 0.000 0.976 287 T HN 0.337 nan 8.240 nan 0.000 0.441 288 F N 2.255 122.106 119.950 -0.165 0.000 2.484 288 F HA 0.493 5.075 4.527 0.091 0.000 0.360 288 F C 0.583 176.259 175.800 -0.207 0.000 1.101 288 F CA -0.422 57.476 58.000 -0.170 0.000 1.251 288 F CB 0.631 39.552 39.000 -0.132 0.000 1.132 288 F HN 0.193 nan 8.300 nan 0.000 0.570 289 V N 5.068 124.934 119.914 -0.079 0.000 2.841 289 V HA 0.617 4.792 4.120 0.092 0.000 0.310 289 V C -0.959 174.919 176.094 -0.360 0.000 1.090 289 V CA -0.796 61.308 62.300 -0.326 0.000 0.930 289 V CB 2.112 33.493 31.823 -0.737 0.000 1.014 289 V HN 0.765 nan 8.190 nan 0.000 0.425 290 R N 4.768 125.113 120.500 -0.258 0.000 2.480 290 R HA 0.530 4.925 4.340 0.092 0.000 0.306 290 R C -1.627 174.645 176.300 -0.047 0.000 0.958 290 R CA -0.435 55.579 56.100 -0.143 0.000 0.861 290 R CB 1.906 32.225 30.300 0.032 0.000 1.171 290 R HN 0.620 nan 8.270 nan 0.000 0.445 291 F N 2.498 122.512 119.950 0.106 0.000 2.396 291 F HA 0.342 4.924 4.527 0.092 0.000 0.343 291 F C 1.041 176.796 175.800 -0.075 0.000 1.104 291 F CA -0.004 58.025 58.000 0.048 0.000 1.161 291 F CB 0.804 39.732 39.000 -0.121 0.000 1.146 291 F HN 0.216 nan 8.300 nan 0.000 0.522 292 H N 0.990 120.079 119.070 0.031 0.000 2.768 292 H HA 0.269 4.880 4.556 0.092 0.000 0.371 292 H C -1.556 173.543 175.328 -0.380 0.000 1.151 292 H CA -1.013 54.942 56.048 -0.154 0.000 1.165 292 H CB 2.034 31.798 29.762 0.002 0.000 1.722 292 H HN 0.676 nan 8.280 nan 0.000 0.543 293 W N 2.231 123.427 121.300 -0.173 0.000 2.538 293 W HA 0.304 5.019 4.660 0.092 0.000 0.322 293 W C -0.211 176.330 176.519 0.037 0.000 1.028 293 W CA -0.768 56.512 57.345 -0.108 0.000 1.228 293 W CB 1.755 30.957 29.460 -0.430 0.000 1.356 293 W HN 0.299 nan 8.180 nan 0.000 0.452 294 K N 5.767 126.430 120.400 0.437 0.000 2.240 294 K HA 0.408 4.783 4.320 0.092 0.000 0.271 294 K C -2.393 174.429 176.600 0.371 0.000 1.018 294 K CA -1.898 54.585 56.287 0.327 0.000 0.874 294 K CB 1.402 34.047 32.500 0.241 0.000 1.098 294 K HN 0.024 nan 8.250 nan 0.000 0.458 295 P HA 0.036 nan 4.420 nan 0.000 0.276 295 P C 0.255 177.571 177.300 0.027 0.000 1.253 295 P CA -0.026 63.147 63.100 0.121 0.000 0.766 295 P CB 0.731 32.514 31.700 0.139 0.000 0.845 296 L N 2.655 123.838 121.223 -0.066 0.000 2.465 296 L HA -0.050 4.345 4.340 0.092 0.000 0.224 296 L C 2.208 179.060 176.870 -0.031 0.000 1.145 296 L CA 0.987 55.818 54.840 -0.015 0.000 0.834 296 L CB -0.552 41.505 42.059 -0.003 0.000 0.944 296 L HN 0.343 nan 8.230 nan 0.000 0.451 297 A N -0.026 122.748 122.820 -0.076 0.000 2.208 297 A HA 0.397 4.772 4.320 0.092 0.000 0.209 297 A C 1.279 178.859 177.584 -0.007 0.000 1.161 297 A CA 0.735 52.742 52.037 -0.050 0.000 0.782 297 A CB -0.309 18.640 19.000 -0.084 0.000 0.816 297 A HN 0.454 nan 8.150 nan 0.000 0.477 298 G N -0.777 108.033 108.800 0.016 0.000 2.710 298 G HA2 -0.114 3.901 3.960 0.092 0.000 0.668 298 G HA3 -0.114 3.901 3.960 0.092 0.000 0.668 298 G C -0.674 174.255 174.900 0.049 0.000 1.320 298 G CA -0.425 44.704 45.100 0.049 0.000 0.860 298 G HN 0.447 nan 8.290 nan 0.000 0.538 299 K N 0.152 120.586 120.400 0.057 0.000 2.183 299 K HA 0.714 5.089 4.320 0.092 0.000 0.274 299 K C 0.168 176.763 176.600 -0.007 0.000 1.009 299 K CA 0.227 56.531 56.287 0.029 0.000 0.888 299 K CB 1.753 34.257 32.500 0.007 0.000 1.078 299 K HN 1.461 nan 8.250 nan 0.000 0.459 300 A N 1.818 124.623 122.820 -0.026 0.000 2.540 300 A HA 0.570 4.945 4.320 0.092 0.000 0.297 300 A C -1.133 176.494 177.584 0.072 0.000 1.056 300 A CA -0.686 51.297 52.037 -0.090 0.000 0.700 300 A CB 1.645 20.398 19.000 -0.411 0.000 1.280 300 A HN 0.509 nan 8.150 nan 0.000 0.398 301 S N 0.723 116.619 115.700 0.326 0.000 2.634 301 S HA 0.758 5.283 4.470 0.092 0.000 0.296 301 S C 0.014 174.931 174.600 0.528 0.000 1.104 301 S CA -0.618 57.817 58.200 0.392 0.000 0.920 301 S CB 1.203 64.627 63.200 0.375 0.000 1.111 301 S HN 0.651 nan 8.310 nan 0.000 0.493 302 L N 1.282 122.710 121.223 0.341 0.000 2.505 302 L HA 0.509 4.904 4.340 0.092 0.000 0.226 302 L C 0.068 177.059 176.870 0.201 0.000 1.211 302 L CA -0.750 54.213 54.840 0.204 0.000 0.828 302 L CB 0.083 42.173 42.059 0.051 0.000 1.331 302 L HN 0.480 nan 8.230 nan 0.000 0.513 303 V N -3.176 116.752 119.914 0.023 0.000 2.732 303 V HA 0.171 4.345 4.120 0.092 0.000 0.310 303 V C 0.709 176.757 176.094 -0.077 0.000 1.053 303 V CA -0.819 61.469 62.300 -0.021 0.000 0.957 303 V CB 1.552 33.323 31.823 -0.087 0.000 1.018 303 V HN 0.933 nan 8.190 nan 0.000 0.452 304 W N 1.927 123.099 121.300 -0.213 0.000 2.317 304 W HA -0.259 4.456 4.660 0.091 0.000 0.318 304 W C 1.828 178.193 176.519 -0.258 0.000 1.227 304 W CA 2.657 59.867 57.345 -0.224 0.000 1.269 304 W CB -0.148 29.162 29.460 -0.251 0.000 1.155 304 W HN 0.996 nan 8.180 nan 0.000 0.484 305 D N 0.165 120.271 120.400 -0.491 0.000 2.133 305 D HA -0.304 4.391 4.640 0.092 0.000 0.195 305 D C 2.153 178.082 176.300 -0.618 0.000 0.997 305 D CA 2.291 55.975 54.000 -0.528 0.000 0.840 305 D CB -0.546 40.200 40.800 -0.089 0.000 0.947 305 D HN 0.400 nan 8.370 nan 0.000 0.452 306 E N -0.457 119.243 120.200 -0.835 0.000 2.051 306 E HA -0.206 4.199 4.350 0.092 0.000 0.192 306 E C 2.017 178.275 176.600 -0.571 0.000 0.991 306 E CA 1.078 56.946 56.400 -0.887 0.000 0.799 306 E CB -0.221 28.873 29.700 -1.010 0.000 0.748 306 E HN 0.309 nan 8.360 nan 0.000 0.449 307 A N 1.185 123.693 122.820 -0.520 0.000 1.858 307 A HA -0.269 4.106 4.320 0.092 0.000 0.216 307 A C 2.197 179.460 177.584 -0.535 0.000 1.190 307 A CA 1.847 53.627 52.037 -0.429 0.000 0.617 307 A CB -0.772 18.079 19.000 -0.248 0.000 0.827 307 A HN 0.440 nan 8.150 nan 0.000 0.443 308 Q N -0.348 118.926 119.800 -0.876 0.000 2.084 308 Q HA -0.199 4.196 4.340 0.092 0.000 0.202 308 Q C 2.019 177.751 176.000 -0.446 0.000 0.978 308 Q CA 1.830 57.156 55.803 -0.794 0.000 0.844 308 Q CB -0.124 27.877 28.738 -1.228 0.000 0.898 308 Q HN 0.682 nan 8.270 nan 0.000 0.426 309 K N 0.053 120.210 120.400 -0.405 0.000 2.097 309 K HA -0.157 4.218 4.320 0.092 0.000 0.206 309 K C 2.028 178.489 176.600 -0.230 0.000 1.049 309 K CA 0.829 56.968 56.287 -0.246 0.000 0.933 309 K CB -0.119 32.278 32.500 -0.172 0.000 0.717 309 K HN 0.161 nan 8.250 nan 0.000 0.442 310 L N 1.554 122.596 121.223 -0.302 0.000 2.201 310 L HA -0.131 4.263 4.340 0.092 0.000 0.212 310 L C 2.286 179.018 176.870 -0.229 0.000 1.105 310 L CA 1.869 56.525 54.840 -0.306 0.000 0.775 310 L CB -0.884 40.900 42.059 -0.458 0.000 0.913 310 L HN 0.299 nan 8.230 nan 0.000 0.440 311 T N -4.576 109.849 114.554 -0.215 0.000 2.915 311 T HA -0.052 4.353 4.350 0.092 0.000 0.269 311 T C 1.869 176.506 174.700 -0.105 0.000 1.071 311 T CA 0.916 62.931 62.100 -0.142 0.000 1.132 311 T CB -0.914 67.882 68.868 -0.120 0.000 0.878 311 T HN 0.357 nan 8.240 nan 0.000 0.479 312 G N 1.341 110.072 108.800 -0.114 0.000 2.408 312 G HA2 -0.023 3.992 3.960 0.092 0.000 0.213 312 G HA3 -0.023 3.992 3.960 0.092 0.000 0.213 312 G C 1.921 176.778 174.900 -0.072 0.000 1.177 312 G CA -0.204 44.846 45.100 -0.083 0.000 0.802 312 G HN 0.320 nan 8.290 nan 0.000 0.533 313 R N 0.276 120.724 120.500 -0.086 0.000 2.090 313 R HA 0.040 4.435 4.340 0.092 0.000 0.228 313 R C -0.097 176.176 176.300 -0.045 0.000 1.110 313 R CA 0.879 56.940 56.100 -0.065 0.000 0.973 313 R CB -0.225 30.029 30.300 -0.078 0.000 0.869 313 R HN 0.337 nan 8.270 nan 0.000 0.440 314 D N -0.304 120.064 120.400 -0.053 0.000 2.527 314 D HA 0.143 4.838 4.640 0.092 0.000 0.242 314 D C -2.075 174.224 176.300 -0.001 0.000 1.285 314 D CA -1.810 52.191 54.000 0.001 0.000 0.886 314 D CB 1.267 42.117 40.800 0.083 0.000 1.402 314 D HN -0.140 nan 8.370 nan 0.000 0.528 315 P HA -0.015 nan 4.420 nan 0.000 0.228 315 P C 0.044 177.345 177.300 0.001 0.000 1.151 315 P CA 0.682 63.768 63.100 -0.023 0.000 0.770 315 P CB 0.486 32.169 31.700 -0.028 0.000 0.786 316 D N -1.409 119.002 120.400 0.019 0.000 2.427 316 D HA 0.076 4.771 4.640 0.092 0.000 0.224 316 D C 1.185 177.514 176.300 0.049 0.000 1.157 316 D CA -0.443 53.572 54.000 0.025 0.000 0.828 316 D CB -0.585 40.208 40.800 -0.012 0.000 0.974 316 D HN 0.127 nan 8.370 nan 0.000 0.498 317 F N 1.182 121.069 119.950 -0.105 0.000 2.126 317 F HA -0.227 4.355 4.527 0.091 0.000 0.299 317 F C 2.062 177.828 175.800 -0.057 0.000 1.096 317 F CA 1.848 59.781 58.000 -0.112 0.000 1.255 317 F CB 0.081 38.961 39.000 -0.200 0.000 0.997 317 F HN 0.113 nan 8.300 nan 0.000 0.479 318 H N -1.220 117.761 119.070 -0.148 0.000 2.395 318 H HA -0.076 4.535 4.556 0.091 0.000 0.299 318 H C 2.355 177.572 175.328 -0.186 0.000 1.070 318 H CA 0.888 56.707 56.048 -0.383 0.000 1.356 318 H CB -0.098 29.261 29.762 -0.672 0.000 1.401 318 H HN 0.177 nan 8.280 nan 0.000 0.524 319 R N 1.280 121.862 120.500 0.137 0.000 2.081 319 R HA -0.126 4.269 4.340 0.092 0.000 0.235 319 R C 2.432 178.828 176.300 0.161 0.000 1.131 319 R CA 1.275 57.511 56.100 0.226 0.000 0.960 319 R CB -0.017 30.402 30.300 0.198 0.000 0.856 319 R HN 0.191 nan 8.270 nan 0.000 0.436 320 R N 0.349 120.866 120.500 0.028 0.000 2.073 320 R HA -0.150 4.245 4.340 0.092 0.000 0.234 320 R C 2.187 178.477 176.300 -0.017 0.000 1.134 320 R CA 1.712 57.811 56.100 -0.002 0.000 0.952 320 R CB -0.269 29.989 30.300 -0.069 0.000 0.850 320 R HN 0.244 nan 8.270 nan 0.000 0.433 321 E N 0.760 120.837 120.200 -0.205 0.000 2.110 321 E HA -0.209 4.196 4.350 0.092 0.000 0.193 321 E C 1.990 178.558 176.600 -0.053 0.000 0.988 321 E CA 1.128 57.391 56.400 -0.229 0.000 0.804 321 E CB -0.104 29.298 29.700 -0.497 0.000 0.745 321 E HN 0.271 nan 8.360 nan 0.000 0.458 322 L N 0.697 121.934 121.223 0.023 0.000 2.027 322 L HA -0.137 4.258 4.340 0.092 0.000 0.206 322 L C 2.279 179.252 176.870 0.171 0.000 1.074 322 L CA 1.833 56.737 54.840 0.106 0.000 0.745 322 L CB -0.964 41.221 42.059 0.210 0.000 0.898 322 L HN 0.295 nan 8.230 nan 0.000 0.433 323 W N 0.890 122.225 121.300 0.058 0.000 2.335 323 W HA -0.228 4.487 4.660 0.093 0.000 0.311 323 W C 2.240 178.788 176.519 0.049 0.000 1.213 323 W CA 2.251 59.642 57.345 0.076 0.000 1.274 323 W CB -0.107 29.400 29.460 0.078 0.000 1.148 323 W HN 0.357 nan 8.180 nan 0.000 0.498 324 E N -0.160 120.199 120.200 0.265 0.000 2.152 324 E HA -0.126 4.279 4.350 0.092 0.000 0.192 324 E C 2.350 178.975 176.600 0.042 0.000 0.983 324 E CA 0.998 57.481 56.400 0.139 0.000 0.818 324 E CB -0.331 29.406 29.700 0.062 0.000 0.758 324 E HN 0.178 nan 8.360 nan 0.000 0.467 325 A N 1.358 124.202 122.820 0.039 0.000 1.877 325 A HA -0.191 4.184 4.320 0.092 0.000 0.216 325 A C 2.167 179.768 177.584 0.028 0.000 1.186 325 A CA 1.147 53.200 52.037 0.027 0.000 0.620 325 A CB -0.607 18.411 19.000 0.030 0.000 0.822 325 A HN 0.139 nan 8.150 nan 0.000 0.443 326 I N -0.446 120.167 120.570 0.071 0.000 2.226 326 I HA -0.253 3.972 4.170 0.092 0.000 0.245 326 I C 2.466 178.646 176.117 0.105 0.000 1.100 326 I CA 1.542 62.936 61.300 0.158 0.000 1.374 326 I CB -0.379 37.655 38.000 0.057 0.000 1.057 326 I HN 0.430 nan 8.210 nan 0.000 0.413 327 E N 0.640 120.850 120.200 0.016 0.000 2.204 327 E HA -0.150 4.255 4.350 0.092 0.000 0.194 327 E C 2.142 178.751 176.600 0.016 0.000 0.989 327 E CA 1.092 57.512 56.400 0.033 0.000 0.824 327 E CB -0.052 29.697 29.700 0.080 0.000 0.756 327 E HN 0.505 nan 8.360 nan 0.000 0.477 328 A N 0.066 122.871 122.820 -0.024 0.000 2.169 328 A HA 0.222 4.597 4.320 0.092 0.000 0.212 328 A C 1.742 179.255 177.584 -0.118 0.000 1.153 328 A CA 0.930 52.935 52.037 -0.054 0.000 0.756 328 A CB -0.013 18.943 19.000 -0.073 0.000 0.813 328 A HN 0.324 nan 8.150 nan 0.000 0.471 329 G N -0.540 108.101 108.800 -0.264 0.000 2.141 329 G HA2 -0.179 3.836 3.960 0.092 0.000 0.231 329 G HA3 -0.179 3.836 3.960 0.092 0.000 0.231 329 G C -0.238 174.155 174.900 -0.845 0.000 0.984 329 G CA 0.213 44.874 45.100 -0.731 0.000 0.660 329 G HN 0.418 nan 8.290 nan 0.000 0.525 330 D N 0.967 121.118 120.400 -0.415 0.000 3.057 330 D HA 0.281 4.976 4.640 0.092 0.000 0.246 330 D C 0.757 176.976 176.300 -0.134 0.000 1.238 330 D CA -0.210 53.656 54.000 -0.223 0.000 0.949 330 D CB -0.634 40.144 40.800 -0.037 0.000 1.086 330 D HN 0.434 nan 8.370 nan 0.000 0.487 331 F N 1.359 121.313 119.950 0.007 0.000 2.602 331 F HA 0.095 4.677 4.527 0.091 0.000 0.385 331 F C -1.432 174.341 175.800 -0.046 0.000 1.063 331 F CA -1.896 56.100 58.000 -0.005 0.000 1.233 331 F CB -0.088 38.922 39.000 0.017 0.000 1.067 331 F HN -0.097 nan 8.300 nan 0.000 0.564 332 P HA 0.031 nan 4.420 nan 0.000 0.263 332 P C -1.020 176.214 177.300 -0.110 0.000 1.195 332 P CA 0.310 63.386 63.100 -0.040 0.000 0.762 332 P CB 0.457 32.201 31.700 0.074 0.000 0.799 333 E N 2.581 122.580 120.200 -0.335 0.000 2.210 333 E HA 0.431 4.836 4.350 0.092 0.000 0.266 333 E C -1.037 175.279 176.600 -0.474 0.000 0.883 333 E CA -0.570 55.689 56.400 -0.235 0.000 0.761 333 E CB 1.408 31.071 29.700 -0.061 0.000 1.156 333 E HN 0.387 nan 8.360 nan 0.000 0.412 334 Y N 0.413 120.788 120.300 0.125 0.000 2.477 334 Y HA 0.250 4.854 4.550 0.092 0.000 0.347 334 Y C -0.219 175.914 175.900 0.387 0.000 0.981 334 Y CA -0.969 57.276 58.100 0.241 0.000 1.033 334 Y CB 2.021 40.590 38.460 0.183 0.000 1.245 334 Y HN 0.461 nan 8.280 nan 0.000 0.455 335 E N 2.898 123.431 120.200 0.555 0.000 2.134 335 E HA 0.388 4.793 4.350 0.092 0.000 0.278 335 E C -1.452 175.419 176.600 0.451 0.000 0.959 335 E CA -0.956 55.718 56.400 0.456 0.000 0.783 335 E CB 0.989 30.892 29.700 0.339 0.000 1.095 335 E HN 0.602 nan 8.360 nan 0.000 0.399 336 L N 4.280 125.703 121.223 0.335 0.000 2.416 336 L HA 0.492 4.887 4.340 0.092 0.000 0.272 336 L C -0.037 176.767 176.870 -0.110 0.000 1.161 336 L CA 0.715 55.465 54.840 -0.150 0.000 0.845 336 L CB 1.011 42.914 42.059 -0.259 0.000 1.119 336 L HN 0.585 nan 8.230 nan 0.000 0.464 337 G N 4.357 113.099 108.800 -0.097 0.000 2.667 337 G HA2 0.567 4.582 3.960 0.092 0.000 0.298 337 G HA3 0.567 4.582 3.960 0.092 0.000 0.298 337 G C -1.658 173.365 174.900 0.206 0.000 1.377 337 G CA -0.519 44.569 45.100 -0.019 0.000 0.964 337 G HN 0.464 nan 8.290 nan 0.000 0.493 338 F N 0.236 120.203 119.950 0.028 0.000 2.507 338 F HA 0.396 4.978 4.527 0.091 0.000 0.325 338 F C 0.326 176.118 175.800 -0.013 0.000 1.116 338 F CA -0.974 57.042 58.000 0.027 0.000 0.930 338 F CB 2.665 41.664 39.000 -0.000 0.000 1.146 338 F HN 0.131 nan 8.300 nan 0.000 0.447 339 Q N 4.421 124.337 119.800 0.193 0.000 2.331 339 Q HA 0.469 4.864 4.340 0.092 0.000 0.257 339 Q C -1.078 174.964 176.000 0.069 0.000 0.957 339 Q CA -0.439 55.423 55.803 0.099 0.000 0.923 339 Q CB 1.858 30.664 28.738 0.112 0.000 1.212 339 Q HN 0.539 nan 8.270 nan 0.000 0.443 340 L N 4.280 125.551 121.223 0.079 0.000 2.322 340 L HA 0.559 4.954 4.340 0.092 0.000 0.281 340 L C -0.763 176.157 176.870 0.082 0.000 1.014 340 L CA -0.766 54.106 54.840 0.055 0.000 0.815 340 L CB 1.156 43.254 42.059 0.064 0.000 1.247 340 L HN 0.500 nan 8.230 nan 0.000 0.421 341 I N 4.520 125.152 120.570 0.103 0.000 2.447 341 I HA 0.399 4.623 4.170 0.092 0.000 0.287 341 I C -2.285 173.928 176.117 0.161 0.000 1.023 341 I CA -1.861 59.543 61.300 0.172 0.000 1.083 341 I CB 1.727 39.859 38.000 0.220 0.000 1.245 341 I HN 0.305 nan 8.210 nan 0.000 0.434 342 P HA -0.006 nan 4.420 nan 0.000 0.266 342 P C 0.748 178.089 177.300 0.068 0.000 1.193 342 P CA -0.018 63.104 63.100 0.036 0.000 0.770 342 P CB 0.800 32.522 31.700 0.037 0.000 0.836 343 E N 2.417 122.563 120.200 -0.090 0.000 2.118 343 E HA -0.255 4.150 4.350 0.092 0.000 0.195 343 E C 1.433 178.089 176.600 0.093 0.000 0.992 343 E CA 1.095 57.428 56.400 -0.112 0.000 0.804 343 E CB -0.003 29.561 29.700 -0.227 0.000 0.741 343 E HN 0.507 nan 8.360 nan 0.000 0.458 344 E N 0.200 120.439 120.200 0.066 0.000 2.409 344 E HA -0.178 4.227 4.350 0.092 0.000 0.198 344 E C 0.405 177.064 176.600 0.098 0.000 1.024 344 E CA 0.883 57.336 56.400 0.088 0.000 0.861 344 E CB -0.020 29.714 29.700 0.057 0.000 0.788 344 E HN 0.232 nan 8.360 nan 0.000 0.521 345 D N 1.243 121.708 120.400 0.108 0.000 2.325 345 D HA 0.010 4.704 4.640 0.092 0.000 0.225 345 D C 1.333 177.688 176.300 0.092 0.000 1.096 345 D CA 0.056 54.109 54.000 0.088 0.000 0.844 345 D CB 0.179 41.049 40.800 0.118 0.000 0.925 345 D HN 0.395 nan 8.370 nan 0.000 0.513 346 E N -0.231 119.976 120.200 0.013 0.000 2.070 346 E HA -0.190 4.215 4.350 0.092 0.000 0.197 346 E C 0.478 176.765 176.600 -0.522 0.000 1.004 346 E CA 1.089 57.286 56.400 -0.338 0.000 0.805 346 E CB 0.017 29.340 29.700 -0.630 0.000 0.744 346 E HN 0.287 nan 8.360 nan 0.000 0.451 347 F N -0.513 119.464 119.950 0.046 0.000 2.668 347 F HA 0.251 4.833 4.527 0.092 0.000 0.297 347 F C 1.344 177.108 175.800 -0.059 0.000 1.124 347 F CA -0.302 57.698 58.000 -0.001 0.000 1.353 347 F CB 0.542 39.544 39.000 0.002 0.000 0.992 347 F HN -0.180 nan 8.300 nan 0.000 0.524 348 K N 0.004 120.382 120.400 -0.036 0.000 2.459 348 K HA 0.117 4.492 4.320 0.092 0.000 0.193 348 K C -0.183 176.103 176.600 -0.522 0.000 1.030 348 K CA 0.397 56.507 56.287 -0.295 0.000 1.026 348 K CB 0.040 32.246 32.500 -0.489 0.000 0.809 348 K HN 0.073 nan 8.250 nan 0.000 0.504 349 F N -0.414 119.384 119.950 -0.253 0.000 2.509 349 F HA 0.192 4.774 4.527 0.092 0.000 0.334 349 F C 1.193 176.803 175.800 -0.317 0.000 1.060 349 F CA -0.958 56.793 58.000 -0.415 0.000 0.997 349 F CB 0.862 39.242 39.000 -1.033 0.000 1.271 349 F HN -0.180 nan 8.300 nan 0.000 0.488 350 D N 0.294 120.697 120.400 0.005 0.000 2.363 350 D HA 0.016 4.711 4.640 0.092 0.000 0.220 350 D C -0.320 176.080 176.300 0.167 0.000 0.994 350 D CA 0.918 54.988 54.000 0.118 0.000 0.890 350 D CB -0.212 40.736 40.800 0.246 0.000 0.906 350 D HN 0.255 nan 8.370 nan 0.000 0.530 351 F N -1.274 118.751 119.950 0.125 0.000 2.611 351 F HA 0.482 5.064 4.527 0.092 0.000 0.324 351 F C -0.163 175.613 175.800 -0.040 0.000 1.061 351 F CA -1.594 56.396 58.000 -0.017 0.000 0.954 351 F CB 0.929 39.861 39.000 -0.115 0.000 1.301 351 F HN -0.412 nan 8.300 nan 0.000 0.482 352 D N 1.739 122.144 120.400 0.007 0.000 2.308 352 D HA 0.208 4.903 4.640 0.092 0.000 0.251 352 D C 1.006 177.231 176.300 -0.125 0.000 1.127 352 D CA -0.083 53.860 54.000 -0.094 0.000 0.876 352 D CB 1.500 42.237 40.800 -0.104 0.000 1.176 352 D HN 0.743 nan 8.370 nan 0.000 0.446 353 L N 3.402 124.481 121.223 -0.240 0.000 2.191 353 L HA -0.126 4.269 4.340 0.092 0.000 0.212 353 L C 1.980 178.702 176.870 -0.247 0.000 1.103 353 L CA 0.678 55.352 54.840 -0.277 0.000 0.769 353 L CB -0.135 41.606 42.059 -0.530 0.000 0.908 353 L HN 0.446 nan 8.230 nan 0.000 0.438 354 L N -0.866 120.231 121.223 -0.210 0.000 2.591 354 L HA 0.051 4.446 4.340 0.092 0.000 0.228 354 L C 0.429 177.217 176.870 -0.136 0.000 1.133 354 L CA -0.087 54.700 54.840 -0.088 0.000 0.880 354 L CB -0.338 41.773 42.059 0.087 0.000 1.033 354 L HN 0.109 nan 8.230 nan 0.000 0.450 355 D N 1.850 121.942 120.400 -0.514 0.000 2.347 355 D HA 0.121 4.816 4.640 0.092 0.000 0.235 355 D C -1.606 174.488 176.300 -0.344 0.000 1.149 355 D CA -2.325 51.163 54.000 -0.853 0.000 0.850 355 D CB 1.564 41.591 40.800 -1.289 0.000 1.061 355 D HN -0.080 nan 8.370 nan 0.000 0.487 356 P HA -0.022 nan 4.420 nan 0.000 0.245 356 P C 0.774 177.990 177.300 -0.140 0.000 1.212 356 P CA 0.521 63.567 63.100 -0.090 0.000 0.774 356 P CB -0.028 31.710 31.700 0.064 0.000 0.999 357 T N -4.408 110.052 114.554 -0.157 0.000 3.086 357 T HA 0.159 4.564 4.350 0.092 0.000 0.250 357 T C 0.716 175.342 174.700 -0.123 0.000 1.074 357 T CA -0.099 61.919 62.100 -0.137 0.000 0.988 357 T CB -0.136 68.699 68.868 -0.055 0.000 0.988 357 T HN -0.120 nan 8.240 nan 0.000 0.530 358 K N 2.174 122.403 120.400 -0.285 0.000 2.244 358 K HA 0.573 4.948 4.320 0.092 0.000 0.260 358 K C -0.446 175.964 176.600 -0.317 0.000 0.951 358 K CA -0.816 55.175 56.287 -0.494 0.000 0.826 358 K CB 2.275 34.330 32.500 -0.742 0.000 1.108 358 K HN 0.282 nan 8.250 nan 0.000 0.433 359 L N -0.320 120.854 121.223 -0.081 0.000 2.358 359 L HA 0.657 5.052 4.340 0.092 0.000 0.268 359 L C -0.070 176.620 176.870 -0.298 0.000 1.032 359 L CA -0.518 54.225 54.840 -0.161 0.000 0.805 359 L CB 0.366 42.394 42.059 -0.053 0.000 1.253 359 L HN 0.457 nan 8.230 nan 0.000 0.452 360 I N 1.501 121.986 120.570 -0.142 0.000 2.330 360 I HA 0.367 4.592 4.170 0.092 0.000 0.286 360 I C -2.123 174.025 176.117 0.050 0.000 1.025 360 I CA -1.718 59.562 61.300 -0.034 0.000 1.197 360 I CB 1.083 39.088 38.000 0.008 0.000 1.358 360 I HN 0.448 nan 8.210 nan 0.000 0.467 361 P HA -0.023 nan 4.420 nan 0.000 0.264 361 P C 0.355 177.731 177.300 0.128 0.000 1.183 361 P CA 0.243 63.398 63.100 0.092 0.000 0.763 361 P CB 0.580 32.329 31.700 0.082 0.000 0.807 362 E N 1.770 122.048 120.200 0.130 0.000 2.268 362 E HA -0.184 4.220 4.350 0.092 0.000 0.195 362 E C 1.394 178.054 176.600 0.099 0.000 0.995 362 E CA 0.720 57.186 56.400 0.110 0.000 0.836 362 E CB -0.011 29.754 29.700 0.107 0.000 0.763 362 E HN 0.513 nan 8.360 nan 0.000 0.491 363 E N 0.420 120.680 120.200 0.099 0.000 2.150 363 E HA -0.133 4.272 4.350 0.092 0.000 0.193 363 E C 2.077 178.744 176.600 0.112 0.000 0.985 363 E CA 0.738 57.191 56.400 0.089 0.000 0.814 363 E CB 0.079 29.823 29.700 0.075 0.000 0.752 363 E HN 0.369 nan 8.360 nan 0.000 0.466 364 L N -0.299 121.018 121.223 0.156 0.000 2.168 364 L HA 0.040 4.435 4.340 0.092 0.000 0.203 364 L C 0.706 177.704 176.870 0.214 0.000 1.078 364 L CA 0.466 55.434 54.840 0.214 0.000 0.780 364 L CB 0.327 42.601 42.059 0.359 0.000 0.939 364 L HN -0.202 nan 8.230 nan 0.000 0.451 365 V N 1.440 121.465 119.914 0.186 0.000 2.398 365 V HA 0.311 4.486 4.120 0.092 0.000 0.282 365 V C -2.347 173.803 176.094 0.093 0.000 1.014 365 V CA -1.473 60.918 62.300 0.152 0.000 0.838 365 V CB 1.481 33.395 31.823 0.152 0.000 1.018 365 V HN -0.039 nan 8.190 nan 0.000 0.432 366 P HA 0.159 nan 4.420 nan 0.000 0.272 366 P C -0.304 176.999 177.300 0.006 0.000 1.223 366 P CA 0.023 63.147 63.100 0.041 0.000 0.784 366 P CB 1.230 32.957 31.700 0.044 0.000 0.923 367 V N 3.234 123.120 119.914 -0.047 0.000 2.432 367 V HA 0.100 4.275 4.120 0.092 0.000 0.271 367 V C 0.867 176.951 176.094 -0.016 0.000 1.046 367 V CA -0.009 62.226 62.300 -0.108 0.000 0.945 367 V CB 0.317 31.985 31.823 -0.259 0.000 0.992 367 V HN 0.558 nan 8.190 nan 0.000 0.471 368 Q N 6.315 126.128 119.800 0.021 0.000 2.267 368 Q HA 0.330 4.725 4.340 0.092 0.000 0.255 368 Q C 0.316 176.316 176.000 0.000 0.000 0.923 368 Q CA -0.789 55.031 55.803 0.028 0.000 0.925 368 Q CB 0.765 29.533 28.738 0.051 0.000 1.195 368 Q HN 0.808 nan 8.270 nan 0.000 0.417 369 R N 2.664 123.189 120.500 0.042 0.000 2.442 369 R HA 0.120 4.515 4.340 0.092 0.000 0.291 369 R C -0.523 175.817 176.300 0.068 0.000 1.069 369 R CA -0.295 55.870 56.100 0.109 0.000 1.022 369 R CB 0.754 31.191 30.300 0.229 0.000 0.976 369 R HN 0.506 nan 8.270 nan 0.000 0.443 370 V N 2.165 122.012 119.914 -0.112 0.000 2.908 370 V HA 0.307 4.482 4.120 0.092 0.000 0.240 370 V C 0.966 176.796 176.094 -0.440 0.000 1.117 370 V CA 1.225 63.340 62.300 -0.308 0.000 1.133 370 V CB 0.559 31.954 31.823 -0.712 0.000 0.857 370 V HN 1.063 nan 8.190 nan 0.000 0.478 371 G N -0.414 108.006 108.800 -0.633 0.000 2.430 371 G HA2 0.472 4.487 3.960 0.092 0.000 0.300 371 G HA3 0.472 4.487 3.960 0.092 0.000 0.300 371 G C -1.813 172.742 174.900 -0.575 0.000 1.330 371 G CA -0.573 43.864 45.100 -1.104 0.000 0.813 371 G HN 0.054 nan 8.290 nan 0.000 0.487 372 K N -0.452 119.630 120.400 -0.529 0.000 2.316 372 K HA 0.754 5.129 4.320 0.092 0.000 0.251 372 K C -0.873 175.768 176.600 0.070 0.000 0.934 372 K CA -0.813 55.458 56.287 -0.027 0.000 0.802 372 K CB 2.021 34.555 32.500 0.057 0.000 1.171 372 K HN 0.593 nan 8.250 nan 0.000 0.426 373 M N 4.658 124.417 119.600 0.265 0.000 2.253 373 M HA 0.399 4.934 4.480 0.092 0.000 0.314 373 M C -1.825 174.465 176.300 -0.016 0.000 1.019 373 M CA -0.781 54.624 55.300 0.176 0.000 0.932 373 M CB 1.738 34.509 32.600 0.285 0.000 1.606 373 M HN 0.354 nan 8.290 nan 0.000 0.430 374 V N 5.532 125.274 119.914 -0.287 0.000 2.540 374 V HA 0.457 4.632 4.120 0.092 0.000 0.302 374 V C -0.915 175.074 176.094 -0.174 0.000 1.035 374 V CA -0.826 61.329 62.300 -0.241 0.000 0.873 374 V CB 1.791 33.373 31.823 -0.403 0.000 0.992 374 V HN 0.679 nan 8.190 nan 0.000 0.428 375 L N 5.875 127.075 121.223 -0.039 0.000 2.270 375 L HA 0.456 4.851 4.340 0.092 0.000 0.286 375 L C 0.756 177.555 176.870 -0.117 0.000 1.059 375 L CA 0.144 54.968 54.840 -0.026 0.000 0.839 375 L CB 0.771 42.872 42.059 0.070 0.000 1.221 375 L HN 0.861 nan 8.230 nan 0.000 0.431 376 N N 1.991 120.530 118.700 -0.267 0.000 2.170 376 N HA 0.150 4.945 4.740 0.092 0.000 0.222 376 N C 0.103 175.446 175.510 -0.279 0.000 1.218 376 N CA -0.197 52.436 53.050 -0.694 0.000 0.889 376 N CB 0.706 38.504 38.487 -1.148 0.000 1.083 376 N HN 0.327 nan 8.380 nan 0.000 0.520 377 R N 0.326 120.769 120.500 -0.095 0.000 2.522 377 R HA 0.282 4.677 4.340 0.092 0.000 0.273 377 R C -1.268 175.008 176.300 -0.039 0.000 1.133 377 R CA -0.560 55.504 56.100 -0.061 0.000 0.969 377 R CB 1.330 31.599 30.300 -0.052 0.000 1.235 377 R HN 0.069 nan 8.270 nan 0.000 0.433 378 N N 3.120 121.671 118.700 -0.247 0.000 2.444 378 N HA 0.257 5.052 4.740 0.092 0.000 0.255 378 N C -2.245 173.212 175.510 -0.089 0.000 1.255 378 N CA -1.190 51.570 53.050 -0.483 0.000 0.933 378 N CB 0.514 38.084 38.487 -1.528 0.000 1.143 378 N HN 0.278 nan 8.380 nan 0.000 0.453 379 P HA 0.118 nan 4.420 nan 0.000 0.274 379 P C 0.143 177.638 177.300 0.325 0.000 1.260 379 P CA -0.083 63.221 63.100 0.341 0.000 0.793 379 P CB 0.975 32.917 31.700 0.404 0.000 1.048 380 D N -1.301 119.260 120.400 0.269 0.000 2.259 380 D HA -0.006 4.689 4.640 0.092 0.000 0.216 380 D C 0.346 176.820 176.300 0.289 0.000 0.961 380 D CA 1.231 55.380 54.000 0.248 0.000 0.878 380 D CB 0.223 41.107 40.800 0.141 0.000 1.009 380 D HN 0.369 nan 8.370 nan 0.000 0.490 381 N N -0.050 118.812 118.700 0.269 0.000 2.461 381 N HA 0.018 4.812 4.740 0.092 0.000 0.284 381 N C 0.061 175.772 175.510 0.334 0.000 1.049 381 N CA -0.324 52.894 53.050 0.282 0.000 0.889 381 N CB 1.554 40.173 38.487 0.222 0.000 1.365 381 N HN -0.166 nan 8.380 nan 0.000 0.499 382 F N 4.379 124.474 119.950 0.242 0.000 2.069 382 F HA -0.189 4.392 4.527 0.089 0.000 0.298 382 F C 1.701 177.630 175.800 0.214 0.000 1.113 382 F CA 1.588 59.732 58.000 0.240 0.000 1.214 382 F CB -0.143 38.968 39.000 0.184 0.000 0.978 382 F HN 0.609 nan 8.300 nan 0.000 0.474 383 F N 0.805 120.981 119.950 0.376 0.000 2.069 383 F HA -0.160 4.430 4.527 0.105 0.000 0.298 383 F C 2.324 178.174 175.800 0.083 0.000 1.113 383 F CA 1.842 59.981 58.000 0.232 0.000 1.214 383 F CB -0.945 38.172 39.000 0.195 0.000 0.978 383 F HN 0.004 nan 8.300 nan 0.000 0.474 384 A N -0.285 122.670 122.820 0.225 0.000 1.902 384 A HA -0.180 4.195 4.320 0.092 0.000 0.217 384 A C 2.079 179.599 177.584 -0.106 0.000 1.181 384 A CA 2.069 54.145 52.037 0.065 0.000 0.623 384 A CB -0.705 18.384 19.000 0.148 0.000 0.818 384 A HN 0.604 nan 8.150 nan 0.000 0.443 385 E N -1.375 118.776 120.200 -0.080 0.000 2.132 385 E HA -0.062 4.342 4.350 0.092 0.000 0.193 385 E C 1.985 178.504 176.600 -0.135 0.000 0.951 385 E CA 0.479 56.772 56.400 -0.179 0.000 0.843 385 E CB -0.122 29.521 29.700 -0.096 0.000 0.807 385 E HN 0.568 nan 8.360 nan 0.000 0.467 386 N N 1.297 119.905 118.700 -0.153 0.000 2.182 386 N HA -0.158 4.637 4.740 0.092 0.000 0.186 386 N C 1.828 177.156 175.510 -0.302 0.000 1.036 386 N CA 1.331 54.229 53.050 -0.253 0.000 0.850 386 N CB 0.080 38.032 38.487 -0.890 0.000 1.010 386 N HN -0.062 nan 8.380 nan 0.000 0.432 387 E N 0.878 120.830 120.200 -0.413 0.000 2.077 387 E HA -0.100 4.305 4.350 0.092 0.000 0.193 387 E C 1.742 178.147 176.600 -0.326 0.000 0.989 387 E CA 1.459 57.685 56.400 -0.291 0.000 0.800 387 E CB -0.175 29.375 29.700 -0.250 0.000 0.746 387 E HN 0.484 nan 8.360 nan 0.000 0.452 388 Q N -0.235 119.306 119.800 -0.433 0.000 2.472 388 Q HA 0.185 4.580 4.340 0.092 0.000 0.208 388 Q C 0.078 175.963 176.000 -0.193 0.000 0.958 388 Q CA 0.281 55.892 55.803 -0.321 0.000 0.932 388 Q CB 0.270 28.806 28.738 -0.337 0.000 1.007 388 Q HN 0.220 nan 8.270 nan 0.000 0.508 389 A N 1.143 123.868 122.820 -0.158 0.000 2.477 389 A HA 0.454 4.829 4.320 0.092 0.000 0.246 389 A C -0.166 177.302 177.584 -0.193 0.000 1.078 389 A CA 0.176 52.100 52.037 -0.187 0.000 0.770 389 A CB 0.265 19.225 19.000 -0.067 0.000 1.011 389 A HN 0.265 nan 8.150 nan 0.000 0.494 390 A N 2.372 125.017 122.820 -0.291 0.000 2.332 390 A HA 0.713 5.088 4.320 0.092 0.000 0.300 390 A C -0.797 176.649 177.584 -0.230 0.000 1.153 390 A CA -0.411 51.528 52.037 -0.164 0.000 0.764 390 A CB 0.341 19.287 19.000 -0.089 0.000 1.174 390 A HN 0.645 nan 8.150 nan 0.000 0.467 391 F N 1.637 121.582 119.950 -0.009 0.000 2.507 391 F HA 0.656 5.237 4.527 0.091 0.000 0.327 391 F C 0.408 176.109 175.800 -0.165 0.000 1.068 391 F CA -0.245 57.719 58.000 -0.059 0.000 0.965 391 F CB 1.883 40.815 39.000 -0.114 0.000 1.192 391 F HN 0.645 nan 8.300 nan 0.000 0.476 392 H N 3.372 122.252 119.070 -0.316 0.000 3.042 392 H HA 0.263 4.875 4.556 0.092 0.000 0.345 392 H C -2.389 172.573 175.328 -0.609 0.000 1.052 392 H CA -2.548 53.035 56.048 -0.776 0.000 1.311 392 H CB 2.794 31.867 29.762 -1.149 0.000 1.810 392 H HN 0.194 nan 8.280 nan 0.000 0.505 393 P HA -0.039 nan 4.420 nan 0.000 0.222 393 P C 1.172 178.560 177.300 0.147 0.000 1.147 393 P CA 1.282 64.358 63.100 -0.040 0.000 0.790 393 P CB 0.100 31.785 31.700 -0.026 0.000 0.780 394 G N -1.365 107.382 108.800 -0.089 0.000 2.650 394 G HA2 -0.124 3.891 3.960 0.092 0.000 0.214 394 G HA3 -0.124 3.891 3.960 0.092 0.000 0.214 394 G C 0.398 175.258 174.900 -0.066 0.000 1.136 394 G CA -0.041 44.969 45.100 -0.150 0.000 0.789 394 G HN 0.416 nan 8.290 nan 0.000 0.536 395 H N 0.855 119.828 119.070 -0.160 0.000 3.092 395 H HA 0.326 4.937 4.556 0.091 0.000 0.263 395 H C 0.564 175.930 175.328 0.063 0.000 1.611 395 H CA -0.777 55.219 56.048 -0.087 0.000 1.457 395 H CB -0.071 29.647 29.762 -0.073 0.000 1.731 395 H HN 0.369 nan 8.280 nan 0.000 0.532 396 I N -0.343 120.281 120.570 0.091 0.000 3.076 396 I HA 0.658 4.883 4.170 0.092 0.000 0.313 396 I C -0.058 175.999 176.117 -0.099 0.000 1.053 396 I CA -1.365 59.920 61.300 -0.024 0.000 1.048 396 I CB 1.759 39.635 38.000 -0.206 0.000 1.264 396 I HN 0.106 nan 8.210 nan 0.000 0.498 397 V N -1.836 118.012 119.914 -0.111 0.000 3.102 397 V HA 0.669 4.844 4.120 0.092 0.000 0.312 397 V C -2.834 173.339 176.094 0.132 0.000 1.135 397 V CA -2.604 59.697 62.300 0.002 0.000 1.022 397 V CB 1.013 32.826 31.823 -0.016 0.000 1.056 397 V HN 0.634 nan 8.190 nan 0.000 0.436 398 P HA 0.381 nan 4.420 nan 0.000 0.263 398 P C 0.864 178.168 177.300 0.007 0.000 1.195 398 P CA 1.853 65.036 63.100 0.139 0.000 0.762 398 P CB 0.640 32.398 31.700 0.096 0.000 0.799 399 G N 1.864 110.624 108.800 -0.067 0.000 2.231 399 G HA2 -0.144 3.871 3.960 0.092 0.000 0.206 399 G HA3 -0.144 3.871 3.960 0.092 0.000 0.206 399 G C -0.307 174.511 174.900 -0.136 0.000 0.996 399 G CA -0.474 44.565 45.100 -0.102 0.000 0.645 399 G HN 0.444 nan 8.290 nan 0.000 0.498 400 L N 0.197 121.350 121.223 -0.116 0.000 2.333 400 L HA 0.911 5.306 4.340 0.092 0.000 0.263 400 L C -0.704 176.111 176.870 -0.093 0.000 1.014 400 L CA -1.044 53.704 54.840 -0.152 0.000 0.820 400 L CB 2.200 44.091 42.059 -0.279 0.000 1.352 400 L HN 0.095 nan 8.230 nan 0.000 0.421 401 D N -0.487 119.844 120.400 -0.115 0.000 2.639 401 D HA 0.451 5.146 4.640 0.092 0.000 0.271 401 D C -1.164 175.081 176.300 -0.092 0.000 1.254 401 D CA -0.346 53.555 54.000 -0.165 0.000 0.810 401 D CB 1.942 42.714 40.800 -0.047 0.000 1.351 401 D HN 0.113 nan 8.370 nan 0.000 0.427 402 F N -0.196 119.893 119.950 0.232 0.000 2.294 402 F HA 0.545 5.127 4.527 0.091 0.000 0.319 402 F C 1.527 177.363 175.800 0.060 0.000 1.107 402 F CA -0.239 57.834 58.000 0.121 0.000 1.094 402 F CB 0.812 39.847 39.000 0.059 0.000 1.508 402 F HN 0.231 nan 8.300 nan 0.000 0.506 403 T N -3.329 111.336 114.554 0.185 0.000 2.804 403 T HA 0.316 4.721 4.350 0.092 0.000 0.290 403 T C -0.152 174.587 174.700 0.064 0.000 1.099 403 T CA -0.965 61.213 62.100 0.131 0.000 1.011 403 T CB 1.223 70.137 68.868 0.076 0.000 1.291 403 T HN 0.328 nan 8.240 nan 0.000 0.523 404 N N 1.075 119.814 118.700 0.065 0.000 2.383 404 N HA 0.072 4.867 4.740 0.092 0.000 0.192 404 N C 0.006 175.526 175.510 0.017 0.000 1.141 404 N CA 0.047 53.120 53.050 0.039 0.000 0.851 404 N CB -0.391 38.136 38.487 0.068 0.000 0.976 404 N HN 0.687 nan 8.380 nan 0.000 0.465 405 D N 2.289 122.681 120.400 -0.013 0.000 2.662 405 D HA -0.080 4.614 4.640 0.092 0.000 0.237 405 D C -1.306 174.982 176.300 -0.020 0.000 1.154 405 D CA -0.903 53.108 54.000 0.018 0.000 0.861 405 D CB 1.260 42.015 40.800 -0.074 0.000 1.146 405 D HN 0.155 nan 8.370 nan 0.000 0.518 406 P HA -0.123 nan 4.420 nan 0.000 0.226 406 P C 1.568 178.878 177.300 0.016 0.000 1.153 406 P CA 0.203 63.313 63.100 0.016 0.000 0.777 406 P CB 0.418 32.120 31.700 0.003 0.000 0.794 407 L N -0.341 120.914 121.223 0.053 0.000 2.068 407 L HA 0.002 4.397 4.340 0.092 0.000 0.204 407 L C 2.407 179.198 176.870 -0.131 0.000 1.076 407 L CA 1.256 56.129 54.840 0.055 0.000 0.753 407 L CB -1.588 40.604 42.059 0.222 0.000 0.910 407 L HN -0.172 nan 8.230 nan 0.000 0.439 408 L N -0.521 120.441 121.223 -0.434 0.000 2.042 408 L HA -0.220 4.175 4.340 0.092 0.000 0.210 408 L C 2.466 179.110 176.870 -0.378 0.000 1.076 408 L CA 1.777 56.173 54.840 -0.739 0.000 0.749 408 L CB -0.923 40.485 42.059 -1.086 0.000 0.893 408 L HN 0.374 nan 8.230 nan 0.000 0.432 409 Q N -0.139 119.500 119.800 -0.267 0.000 2.077 409 Q HA -0.185 4.210 4.340 0.092 0.000 0.206 409 Q C 2.116 178.046 176.000 -0.117 0.000 0.989 409 Q CA 1.923 57.612 55.803 -0.190 0.000 0.853 409 Q CB -0.921 27.750 28.738 -0.112 0.000 0.907 409 Q HN 0.701 nan 8.270 nan 0.000 0.418 410 G N 0.552 109.310 108.800 -0.071 0.000 2.422 410 G HA2 -0.230 3.785 3.960 0.092 0.000 0.218 410 G HA3 -0.230 3.785 3.960 0.092 0.000 0.218 410 G C 1.531 176.443 174.900 0.020 0.000 1.140 410 G CA 0.323 45.419 45.100 -0.007 0.000 0.775 410 G HN 0.249 nan 8.290 nan 0.000 0.545 411 R N -0.146 120.327 120.500 -0.046 0.000 2.105 411 R HA 0.012 4.407 4.340 0.092 0.000 0.239 411 R C 2.558 178.950 176.300 0.153 0.000 1.135 411 R CA 0.940 57.067 56.100 0.045 0.000 0.967 411 R CB -0.490 29.838 30.300 0.048 0.000 0.861 411 R HN 0.344 nan 8.270 nan 0.000 0.442 412 L N -0.408 120.833 121.223 0.030 0.000 2.081 412 L HA -0.240 4.155 4.340 0.092 0.000 0.212 412 L C 2.333 179.325 176.870 0.204 0.000 1.080 412 L CA 1.376 56.252 54.840 0.061 0.000 0.754 412 L CB -0.502 41.422 42.059 -0.225 0.000 0.893 412 L HN 0.175 nan 8.230 nan 0.000 0.433 413 F N 0.058 120.023 119.950 0.025 0.000 2.128 413 F HA -0.176 4.406 4.527 0.092 0.000 0.295 413 F C 2.826 178.627 175.800 0.002 0.000 1.100 413 F CA 1.552 59.567 58.000 0.025 0.000 1.260 413 F CB -0.313 38.682 39.000 -0.009 0.000 1.009 413 F HN -0.069 nan 8.300 nan 0.000 0.476 414 S N -0.497 115.161 115.700 -0.069 0.000 2.359 414 S HA -0.263 4.262 4.470 0.092 0.000 0.224 414 S C 2.088 176.409 174.600 -0.464 0.000 1.035 414 S CA 1.913 59.940 58.200 -0.287 0.000 1.018 414 S CB -0.810 62.231 63.200 -0.266 0.000 0.876 414 S HN 0.550 nan 8.310 nan 0.000 0.448 415 Y N 1.622 121.575 120.300 -0.579 0.000 2.181 415 Y HA -0.104 4.501 4.550 0.092 0.000 0.288 415 Y C 2.995 178.527 175.900 -0.612 0.000 1.146 415 Y CA 1.502 59.167 58.100 -0.724 0.000 1.164 415 Y CB -1.149 36.554 38.460 -1.262 0.000 0.982 415 Y HN 0.246 nan 8.280 nan 0.000 0.515 416 T N -0.258 114.095 114.554 -0.335 0.000 2.607 416 T HA -0.280 4.125 4.350 0.092 0.000 0.267 416 T C 1.472 176.022 174.700 -0.250 0.000 1.049 416 T CA 1.879 63.900 62.100 -0.132 0.000 1.162 416 T CB -0.594 68.274 68.868 -0.000 0.000 0.863 416 T HN 0.369 nan 8.240 nan 0.000 0.424 417 D N 0.263 120.428 120.400 -0.392 0.000 2.087 417 D HA -0.122 4.573 4.640 0.092 0.000 0.192 417 D C 2.354 178.502 176.300 -0.253 0.000 0.993 417 D CA 1.791 55.573 54.000 -0.363 0.000 0.828 417 D CB -0.636 39.802 40.800 -0.604 0.000 0.968 417 D HN 0.277 nan 8.370 nan 0.000 0.448 418 T N -0.992 113.393 114.554 -0.281 0.000 2.833 418 T HA -0.157 4.248 4.350 0.092 0.000 0.269 418 T C 1.851 176.419 174.700 -0.221 0.000 1.054 418 T CA 1.497 63.465 62.100 -0.220 0.000 1.135 418 T CB -0.209 68.516 68.868 -0.237 0.000 0.869 418 T HN 0.232 nan 8.240 nan 0.000 0.466 419 Q N -0.097 119.514 119.800 -0.315 0.000 2.224 419 Q HA -0.004 4.391 4.340 0.092 0.000 0.203 419 Q C 2.165 177.991 176.000 -0.290 0.000 0.970 419 Q CA 0.880 56.434 55.803 -0.414 0.000 0.865 419 Q CB -0.065 28.184 28.738 -0.815 0.000 0.922 419 Q HN 0.463 nan 8.270 nan 0.000 0.445 420 I N 0.485 120.952 120.570 -0.171 0.000 2.286 420 I HA -0.228 3.997 4.170 0.092 0.000 0.248 420 I C 2.352 178.463 176.117 -0.011 0.000 1.115 420 I CA 1.657 62.944 61.300 -0.021 0.000 1.392 420 I CB -1.293 36.712 38.000 0.010 0.000 1.065 420 I HN 0.222 nan 8.210 nan 0.000 0.418 421 S N 0.333 116.008 115.700 -0.041 0.000 2.427 421 S HA -0.066 4.459 4.470 0.092 0.000 0.224 421 S C 2.144 176.732 174.600 -0.021 0.000 1.047 421 S CA 0.149 58.338 58.200 -0.017 0.000 0.953 421 S CB -0.366 62.824 63.200 -0.017 0.000 0.824 421 S HN 0.309 nan 8.310 nan 0.000 0.502 422 R N 1.096 121.565 120.500 -0.052 0.000 2.091 422 R HA 0.123 4.518 4.340 0.092 0.000 0.238 422 R C 1.252 177.535 176.300 -0.028 0.000 1.136 422 R CA 1.433 57.507 56.100 -0.044 0.000 0.959 422 R CB -0.307 29.947 30.300 -0.078 0.000 0.856 422 R HN 0.454 nan 8.270 nan 0.000 0.437 423 L N -0.254 120.945 121.223 -0.039 0.000 2.872 423 L HA 0.328 4.723 4.340 0.092 0.000 0.245 423 L C 0.808 177.705 176.870 0.045 0.000 1.211 423 L CA 0.209 55.048 54.840 -0.001 0.000 1.013 423 L CB 0.951 43.011 42.059 0.002 0.000 1.326 423 L HN 0.566 nan 8.230 nan 0.000 0.525 424 G N 0.116 108.940 108.800 0.040 0.000 2.166 424 G HA2 -0.170 3.845 3.960 0.092 0.000 0.260 424 G HA3 -0.170 3.845 3.960 0.092 0.000 0.260 424 G C 0.480 175.428 174.900 0.081 0.000 0.986 424 G CA 0.223 45.355 45.100 0.054 0.000 0.683 424 G HN 0.773 nan 8.290 nan 0.000 0.527 425 G N -1.943 106.927 108.800 0.116 0.000 2.324 425 G HA2 0.613 4.628 3.960 0.092 0.000 0.293 425 G HA3 0.613 4.628 3.960 0.092 0.000 0.293 425 G C -2.337 172.710 174.900 0.245 0.000 1.297 425 G CA 0.329 45.514 45.100 0.142 0.000 0.853 425 G HN 0.388 nan 8.290 nan 0.000 0.535 426 P HA 0.146 nan 4.420 nan 0.000 0.255 426 P C 0.170 177.522 177.300 0.087 0.000 1.248 426 P CA 0.286 63.534 63.100 0.246 0.000 0.807 426 P CB 0.262 32.056 31.700 0.158 0.000 1.150 427 N N 0.364 119.085 118.700 0.036 0.000 2.320 427 N HA 0.084 4.878 4.740 0.092 0.000 0.237 427 N C 0.974 176.294 175.510 -0.317 0.000 1.129 427 N CA -0.222 52.717 53.050 -0.184 0.000 0.854 427 N CB -0.525 37.901 38.487 -0.102 0.000 1.083 427 N HN 0.254 nan 8.380 nan 0.000 0.504 428 F N 0.598 120.538 119.950 -0.016 0.000 2.451 428 F HA -0.053 4.528 4.527 0.090 0.000 0.299 428 F C 2.213 177.967 175.800 -0.077 0.000 1.101 428 F CA 0.684 58.653 58.000 -0.053 0.000 1.436 428 F CB -0.718 38.273 39.000 -0.016 0.000 1.074 428 F HN 0.166 nan 8.300 nan 0.000 0.553 429 H N 0.480 119.055 119.070 -0.825 0.000 2.546 429 H HA 0.067 4.678 4.556 0.093 0.000 0.277 429 H C 0.797 175.950 175.328 -0.292 0.000 1.004 429 H CA 1.311 57.057 56.048 -0.504 0.000 1.231 429 H CB -0.692 28.660 29.762 -0.683 0.000 1.382 429 H HN 0.529 nan 8.280 nan 0.000 0.580 430 E N 0.913 120.696 120.200 -0.696 0.000 2.474 430 E HA 0.184 4.589 4.350 0.092 0.000 0.194 430 E C 0.317 176.800 176.600 -0.194 0.000 1.041 430 E CA -0.289 55.867 56.400 -0.406 0.000 0.874 430 E CB 0.544 30.019 29.700 -0.375 0.000 0.914 430 E HN 0.419 nan 8.360 nan 0.000 0.498 431 I N 2.790 123.262 120.570 -0.163 0.000 2.598 431 I HA -0.052 4.173 4.170 0.092 0.000 0.284 431 I C -1.555 174.502 176.117 -0.100 0.000 1.140 431 I CA -1.453 59.785 61.300 -0.103 0.000 1.420 431 I CB 0.549 38.504 38.000 -0.076 0.000 1.387 431 I HN -0.184 nan 8.210 nan 0.000 0.553 432 P HA -0.275 nan 4.420 nan 0.000 0.219 432 P C 1.740 178.966 177.300 -0.124 0.000 1.161 432 P CA 1.425 64.468 63.100 -0.096 0.000 0.909 432 P CB 0.152 31.803 31.700 -0.082 0.000 0.793 433 I N -0.822 119.649 120.570 -0.165 0.000 2.335 433 I HA -0.207 4.018 4.170 0.092 0.000 0.251 433 I C 1.389 177.436 176.117 -0.116 0.000 1.129 433 I CA 1.748 62.904 61.300 -0.241 0.000 1.402 433 I CB -0.690 37.060 38.000 -0.416 0.000 1.069 433 I HN -0.097 nan 8.210 nan 0.000 0.424 434 N N 0.706 119.355 118.700 -0.085 0.000 2.463 434 N HA 0.009 4.804 4.740 0.092 0.000 0.181 434 N C 0.322 175.845 175.510 0.021 0.000 1.078 434 N CA 0.256 53.289 53.050 -0.029 0.000 0.902 434 N CB -0.186 38.305 38.487 0.007 0.000 0.970 434 N HN 0.386 nan 8.380 nan 0.000 0.451 435 R N 1.657 122.160 120.500 0.004 0.000 2.522 435 R HA 0.139 4.534 4.340 0.092 0.000 0.284 435 R C -2.206 174.151 176.300 0.094 0.000 1.032 435 R CA -1.170 54.935 56.100 0.008 0.000 1.049 435 R CB -0.099 30.188 30.300 -0.021 0.000 0.956 435 R HN 0.041 nan 8.270 nan 0.000 0.422 436 P HA -0.018 nan 4.420 nan 0.000 0.270 436 P C 0.559 177.922 177.300 0.106 0.000 1.223 436 P CA 0.025 63.198 63.100 0.122 0.000 0.785 436 P CB 0.681 32.409 31.700 0.047 0.000 0.923 437 T N -2.902 111.725 114.554 0.122 0.000 3.037 437 T HA 0.066 4.471 4.350 0.092 0.000 0.251 437 T C 0.909 175.647 174.700 0.064 0.000 1.079 437 T CA 0.041 62.172 62.100 0.051 0.000 1.067 437 T CB -0.978 67.907 68.868 0.028 0.000 0.948 437 T HN 0.580 nan 8.240 nan 0.000 0.496 438 C N 1.377 120.730 119.300 0.088 0.000 2.403 438 C HA 0.766 5.281 4.460 0.092 0.000 0.361 438 C C -2.435 172.608 174.990 0.087 0.000 1.274 438 C CA -2.478 56.590 59.018 0.084 0.000 2.433 438 C CB -0.026 27.768 27.740 0.090 0.000 2.323 438 C HN 0.170 nan 8.230 nan 0.000 0.614 439 P HA 0.302 nan 4.420 nan 0.000 0.269 439 P C -1.221 176.144 177.300 0.109 0.000 1.209 439 P CA 0.444 63.605 63.100 0.101 0.000 0.776 439 P CB -0.030 31.771 31.700 0.168 0.000 0.876 440 Y N 0.592 120.785 120.300 -0.179 0.000 2.362 440 Y HA 0.622 5.227 4.550 0.091 0.000 0.326 440 Y C -1.567 174.039 175.900 -0.489 0.000 1.083 440 Y CA -0.874 57.104 58.100 -0.204 0.000 1.073 440 Y CB 1.158 39.517 38.460 -0.169 0.000 1.211 440 Y HN 0.429 nan 8.280 nan 0.000 0.433 441 H N 4.055 123.011 119.070 -0.189 0.000 2.856 441 H HA 0.564 5.175 4.556 0.092 0.000 0.355 441 H C -1.153 174.050 175.328 -0.209 0.000 1.079 441 H CA -0.729 55.133 56.048 -0.309 0.000 1.240 441 H CB 1.663 31.282 29.762 -0.238 0.000 1.701 441 H HN 0.889 nan 8.280 nan 0.000 0.527 442 N N 0.497 119.082 118.700 -0.192 0.000 3.378 442 N HA 0.176 4.971 4.740 0.092 0.000 0.294 442 N C -1.216 174.059 175.510 -0.391 0.000 1.544 442 N CA -0.949 51.947 53.050 -0.256 0.000 0.872 442 N CB 0.638 39.133 38.487 0.013 0.000 1.670 442 N HN 0.285 nan 8.380 nan 0.000 0.551 443 F N -0.329 119.666 119.950 0.075 0.000 2.639 443 F HA 0.350 4.932 4.527 0.091 0.000 0.300 443 F C 0.389 176.237 175.800 0.080 0.000 1.109 443 F CA -0.368 57.672 58.000 0.068 0.000 1.335 443 F CB 0.098 39.133 39.000 0.059 0.000 1.014 443 F HN 0.135 nan 8.300 nan 0.000 0.537 444 Q N 1.436 121.346 119.800 0.184 0.000 2.327 444 Q HA 0.457 4.852 4.340 0.092 0.000 0.254 444 Q C 0.075 176.158 176.000 0.137 0.000 0.952 444 Q CA -0.220 55.675 55.803 0.153 0.000 0.884 444 Q CB 1.195 30.003 28.738 0.117 0.000 1.224 444 Q HN 0.110 nan 8.270 nan 0.000 0.422 445 R N 1.515 122.090 120.500 0.125 0.000 2.855 445 R HA 0.376 4.771 4.340 0.092 0.000 0.266 445 R C -0.640 175.713 176.300 0.089 0.000 1.034 445 R CA -0.673 55.490 56.100 0.105 0.000 0.944 445 R CB 1.082 31.445 30.300 0.105 0.000 1.219 445 R HN 0.710 nan 8.270 nan 0.000 0.474 446 D N -0.258 120.185 120.400 0.072 0.000 3.439 446 D HA -0.156 4.539 4.640 0.092 0.000 0.238 446 D C 0.315 176.653 176.300 0.063 0.000 1.727 446 D CA 2.055 56.090 54.000 0.058 0.000 1.145 446 D CB -0.985 39.849 40.800 0.056 0.000 0.764 446 D HN 0.897 nan 8.370 nan 0.000 0.938 447 G N -1.512 107.324 108.800 0.059 0.000 2.692 447 G HA2 0.236 4.251 3.960 0.092 0.000 0.686 447 G HA3 0.236 4.251 3.960 0.092 0.000 0.686 447 G C -0.276 174.662 174.900 0.063 0.000 1.243 447 G CA 0.004 45.144 45.100 0.067 0.000 0.782 447 G HN 0.792 nan 8.290 nan 0.000 0.625 448 M N 1.230 120.875 119.600 0.074 0.000 2.250 448 M HA 0.438 4.972 4.480 0.092 0.000 0.337 448 M C 1.114 177.493 176.300 0.132 0.000 1.161 448 M CA 1.345 56.696 55.300 0.085 0.000 1.088 448 M CB -0.555 32.099 32.600 0.091 0.000 1.639 448 M HN 1.598 nan 8.290 nan 0.000 0.447 449 H N 0.788 119.865 119.070 0.011 0.000 2.677 449 H HA -0.187 4.422 4.556 0.089 0.000 0.321 449 H C -0.715 174.603 175.328 -0.016 0.000 1.171 449 H CA 0.786 56.834 56.048 0.001 0.000 1.139 449 H CB -0.662 29.102 29.762 0.004 0.000 1.515 449 H HN 0.621 nan 8.280 nan 0.000 0.423 450 R N 1.430 121.934 120.500 0.006 0.000 2.351 450 R HA 0.074 4.469 4.340 0.092 0.000 0.318 450 R C 0.925 177.210 176.300 -0.024 0.000 1.055 450 R CA -0.015 56.087 56.100 0.004 0.000 0.968 450 R CB 0.270 30.576 30.300 0.010 0.000 0.974 450 R HN 0.370 nan 8.270 nan 0.000 0.439 451 M N 2.641 122.240 119.600 -0.001 0.000 2.276 451 M HA 0.208 4.742 4.480 0.092 0.000 0.262 451 M C 0.967 177.259 176.300 -0.013 0.000 1.098 451 M CA 1.078 56.375 55.300 -0.005 0.000 1.167 451 M CB -0.941 31.665 32.600 0.010 0.000 1.337 451 M HN 0.714 nan 8.290 nan 0.000 0.446 452 G N 1.986 110.784 108.800 -0.003 0.000 2.313 452 G HA2 0.334 4.349 3.960 0.092 0.000 0.250 452 G HA3 0.334 4.349 3.960 0.092 0.000 0.250 452 G C -0.336 174.559 174.900 -0.010 0.000 1.281 452 G CA -0.314 44.782 45.100 -0.007 0.000 0.917 452 G HN 0.342 nan 8.290 nan 0.000 0.501 453 I N 2.993 123.551 120.570 -0.020 0.000 2.307 453 I HA 0.096 4.321 4.170 0.092 0.000 0.287 453 I C -0.198 175.909 176.117 -0.017 0.000 1.054 453 I CA -0.521 60.771 61.300 -0.014 0.000 1.218 453 I CB 0.842 38.833 38.000 -0.015 0.000 1.398 453 I HN 0.370 nan 8.210 nan 0.000 0.475 454 D N 4.719 125.115 120.400 -0.007 0.000 2.390 454 D HA 0.058 4.753 4.640 0.092 0.000 0.249 454 D C 1.201 177.504 176.300 0.004 0.000 1.144 454 D CA 0.272 54.267 54.000 -0.008 0.000 0.880 454 D CB 1.792 42.596 40.800 0.006 0.000 1.182 454 D HN 0.559 nan 8.370 nan 0.000 0.451 455 T N -0.881 113.671 114.554 -0.002 0.000 3.040 455 T HA -0.058 4.347 4.350 0.092 0.000 0.250 455 T C 0.846 175.555 174.700 0.016 0.000 1.058 455 T CA -0.525 61.578 62.100 0.004 0.000 0.988 455 T CB 0.176 69.039 68.868 -0.008 0.000 0.993 455 T HN 0.119 nan 8.240 nan 0.000 0.519 456 N N 3.426 122.138 118.700 0.019 0.000 2.411 456 N HA 0.086 4.880 4.740 0.092 0.000 0.261 456 N C -1.667 173.883 175.510 0.066 0.000 1.248 456 N CA -1.499 51.576 53.050 0.041 0.000 0.885 456 N CB 1.409 39.923 38.487 0.046 0.000 1.062 456 N HN 0.064 nan 8.380 nan 0.000 0.471 457 P HA -0.040 nan 4.420 nan 0.000 0.218 457 P C -0.557 176.804 177.300 0.101 0.000 1.148 457 P CA 1.043 64.188 63.100 0.075 0.000 0.822 457 P CB 0.208 31.947 31.700 0.065 0.000 0.784 458 A N 0.468 123.337 122.820 0.081 0.000 2.312 458 A HA 0.425 4.800 4.320 0.092 0.000 0.326 458 A C 0.394 178.082 177.584 0.173 0.000 1.172 458 A CA -0.667 51.376 52.037 0.010 0.000 0.821 458 A CB 0.104 18.898 19.000 -0.343 0.000 1.166 458 A HN 0.268 nan 8.150 nan 0.000 0.493 459 N N 0.105 118.954 118.700 0.250 0.000 2.351 459 N HA 0.386 5.181 4.740 0.092 0.000 0.254 459 N C -0.853 174.837 175.510 0.300 0.000 1.241 459 N CA -0.367 52.902 53.050 0.364 0.000 0.883 459 N CB 0.296 38.948 38.487 0.275 0.000 1.202 459 N HN 0.696 nan 8.380 nan 0.000 0.512 460 Y N -1.224 118.966 120.300 -0.185 0.000 2.656 460 Y HA 0.651 5.255 4.550 0.091 0.000 0.334 460 Y C -1.691 173.613 175.900 -0.992 0.000 1.179 460 Y CA -1.374 56.422 58.100 -0.507 0.000 1.050 460 Y CB 0.982 39.313 38.460 -0.215 0.000 1.308 460 Y HN 0.084 nan 8.280 nan 0.000 0.456 461 E N 0.867 120.622 120.200 -0.743 0.000 2.343 461 E HA 0.631 5.036 4.350 0.092 0.000 0.278 461 E C -3.209 173.291 176.600 -0.168 0.000 0.910 461 E CA -1.975 54.077 56.400 -0.580 0.000 0.757 461 E CB 1.805 31.096 29.700 -0.682 0.000 1.218 461 E HN 0.585 nan 8.360 nan 0.000 0.435 462 P HA 0.290 nan 4.420 nan 0.000 0.275 462 P C -1.265 175.992 177.300 -0.071 0.000 1.228 462 P CA -0.445 62.591 63.100 -0.106 0.000 0.786 462 P CB 0.562 32.232 31.700 -0.051 0.000 0.927 463 N N -1.271 117.309 118.700 -0.200 0.000 2.229 463 N HA 0.349 5.144 4.740 0.092 0.000 0.298 463 N C 0.274 175.731 175.510 -0.087 0.000 1.114 463 N CA -0.745 52.190 53.050 -0.192 0.000 0.776 463 N CB 1.530 39.602 38.487 -0.692 0.000 1.501 463 N HN 0.196 nan 8.380 nan 0.000 0.474 464 S N 0.842 116.540 115.700 -0.003 0.000 2.497 464 S HA -0.004 4.521 4.470 0.092 0.000 0.218 464 S C 1.599 176.211 174.600 0.019 0.000 1.023 464 S CA 0.027 58.228 58.200 0.003 0.000 0.913 464 S CB -0.803 62.410 63.200 0.022 0.000 0.800 464 S HN 0.711 nan 8.310 nan 0.000 0.505 465 I N -0.386 120.204 120.570 0.033 0.000 2.700 465 I HA 0.137 4.361 4.170 0.092 0.000 0.261 465 I C 1.331 177.477 176.117 0.049 0.000 1.219 465 I CA 1.486 62.816 61.300 0.050 0.000 1.463 465 I CB -0.411 37.639 38.000 0.083 0.000 1.092 465 I HN 0.211 nan 8.210 nan 0.000 0.452 466 N N 0.974 119.699 118.700 0.041 0.000 2.299 466 N HA 0.040 4.835 4.740 0.092 0.000 0.246 466 N C -0.065 175.552 175.510 0.179 0.000 1.254 466 N CA -0.030 53.086 53.050 0.110 0.000 0.879 466 N CB 0.020 38.582 38.487 0.125 0.000 1.214 466 N HN 0.229 nan 8.380 nan 0.000 0.510 467 D N 0.683 121.135 120.400 0.087 0.000 2.837 467 D HA -0.255 4.439 4.640 0.092 0.000 0.230 467 D C -0.105 176.079 176.300 -0.193 0.000 1.152 467 D CA 1.128 55.141 54.000 0.023 0.000 0.736 467 D CB -1.395 39.502 40.800 0.162 0.000 1.084 467 D HN 0.476 nan 8.370 nan 0.000 0.429 468 N N -1.686 116.930 118.700 -0.140 0.000 2.800 468 N HA -0.243 4.552 4.740 0.092 0.000 0.250 468 N C -0.833 174.588 175.510 -0.147 0.000 1.078 468 N CA 1.400 54.339 53.050 -0.185 0.000 0.804 468 N CB -1.339 36.994 38.487 -0.256 0.000 1.135 468 N HN 0.546 nan 8.380 nan 0.000 0.565 469 W N 1.016 122.365 121.300 0.082 0.000 2.313 469 W HA 0.446 5.161 4.660 0.091 0.000 0.328 469 W C -1.645 174.915 176.519 0.070 0.000 1.197 469 W CA -1.656 55.721 57.345 0.054 0.000 1.235 469 W CB 0.575 30.017 29.460 -0.031 0.000 1.158 469 W HN -0.025 nan 8.180 nan 0.000 0.578 470 P HA 0.182 nan 4.420 nan 0.000 0.275 470 P C -0.631 176.806 177.300 0.228 0.000 1.228 470 P CA -0.097 63.137 63.100 0.225 0.000 0.786 470 P CB 0.981 32.660 31.700 -0.036 0.000 0.927 471 R N 1.156 121.778 120.500 0.204 0.000 2.598 471 R HA 0.329 4.724 4.340 0.092 0.000 0.279 471 R C 0.377 176.712 176.300 0.059 0.000 0.984 471 R CA -0.813 55.284 56.100 -0.006 0.000 0.999 471 R CB 1.022 31.107 30.300 -0.359 0.000 1.114 471 R HN 0.490 nan 8.270 nan 0.000 0.493 472 E N 0.528 120.746 120.200 0.030 0.000 2.404 472 E HA 0.064 4.469 4.350 0.092 0.000 0.261 472 E C -0.595 176.026 176.600 0.036 0.000 1.074 472 E CA 0.547 56.977 56.400 0.049 0.000 0.917 472 E CB 0.778 30.499 29.700 0.036 0.000 0.965 472 E HN 0.346 nan 8.360 nan 0.000 0.433 473 T N 3.437 118.024 114.554 0.054 0.000 2.841 473 T HA 0.335 4.740 4.350 0.092 0.000 0.285 473 T C -2.453 172.271 174.700 0.039 0.000 0.991 473 T CA -1.577 60.553 62.100 0.050 0.000 0.966 473 T CB 1.436 70.345 68.868 0.069 0.000 0.962 473 T HN 0.240 nan 8.240 nan 0.000 0.438 474 P HA 0.215 nan 4.420 nan 0.000 0.268 474 P C -2.436 174.870 177.300 0.010 0.000 1.208 474 P CA -1.166 61.941 63.100 0.012 0.000 0.777 474 P CB -0.348 31.355 31.700 0.004 0.000 0.875 475 P HA 0.266 nan 4.420 nan 0.000 0.269 475 P C -0.018 177.271 177.300 -0.019 0.000 1.215 475 P CA 0.374 63.460 63.100 -0.024 0.000 0.780 475 P CB 0.657 32.321 31.700 -0.059 0.000 0.898 476 G N 0.724 109.512 108.800 -0.020 0.000 2.550 476 G HA2 0.396 4.411 3.960 0.092 0.000 0.293 476 G HA3 0.396 4.411 3.960 0.092 0.000 0.293 476 G C -2.625 172.265 174.900 -0.017 0.000 1.402 476 G CA -0.806 44.285 45.100 -0.014 0.000 0.784 476 G HN 0.076 nan 8.290 nan 0.000 0.482 477 P HA 0.052 nan 4.420 nan 0.000 0.218 477 P C 0.100 177.396 177.300 -0.007 0.000 1.148 477 P CA 1.279 64.370 63.100 -0.014 0.000 0.822 477 P CB 0.143 31.837 31.700 -0.010 0.000 0.784 478 K N -2.160 118.242 120.400 0.004 0.000 2.523 478 K HA 0.347 4.722 4.320 0.092 0.000 0.257 478 K C -0.404 176.212 176.600 0.026 0.000 0.932 478 K CA -0.861 55.435 56.287 0.015 0.000 0.812 478 K CB 1.665 34.175 32.500 0.017 0.000 1.326 478 K HN -0.299 nan 8.250 nan 0.000 0.433 479 R N -0.283 120.239 120.500 0.037 0.000 3.627 479 R HA -0.143 4.252 4.340 0.092 0.000 0.281 479 R C 0.217 176.545 176.300 0.047 0.000 1.140 479 R CA 1.264 57.393 56.100 0.048 0.000 0.761 479 R CB -2.266 28.062 30.300 0.046 0.000 1.181 479 R HN 1.023 nan 8.270 nan 0.000 0.472 480 G N -1.004 107.820 108.800 0.040 0.000 2.511 480 G HA2 0.628 4.642 3.960 0.092 0.000 0.316 480 G HA3 0.628 4.642 3.960 0.092 0.000 0.316 480 G C 0.268 175.201 174.900 0.056 0.000 1.210 480 G CA 0.046 45.167 45.100 0.036 0.000 0.969 480 G HN 0.252 nan 8.290 nan 0.000 0.492 481 G N -1.394 107.440 108.800 0.055 0.000 2.539 481 G HA2 0.418 4.432 3.960 0.092 0.000 0.258 481 G HA3 0.418 4.432 3.960 0.092 0.000 0.258 481 G C -0.717 174.238 174.900 0.091 0.000 1.202 481 G CA -0.539 44.614 45.100 0.089 0.000 0.851 481 G HN 0.450 nan 8.290 nan 0.000 0.556 482 F N 0.582 120.541 119.950 0.015 0.000 2.456 482 F HA 0.394 4.976 4.527 0.092 0.000 0.358 482 F C 0.523 176.331 175.800 0.013 0.000 1.095 482 F CA -0.220 57.784 58.000 0.005 0.000 1.216 482 F CB 0.891 39.893 39.000 0.003 0.000 1.125 482 F HN 0.446 nan 8.300 nan 0.000 0.549 483 E N 4.303 124.127 120.200 -0.627 0.000 2.246 483 E HA 0.306 4.711 4.350 0.092 0.000 0.266 483 E C -1.190 175.062 176.600 -0.580 0.000 0.880 483 E CA -0.763 55.428 56.400 -0.348 0.000 0.762 483 E CB 1.561 31.151 29.700 -0.183 0.000 1.180 483 E HN 0.629 nan 8.360 nan 0.000 0.416 484 S N 2.520 118.102 115.700 -0.198 0.000 2.576 484 S HA 0.020 4.545 4.470 0.092 0.000 0.276 484 S C -0.573 174.001 174.600 -0.043 0.000 1.339 484 S CA -0.371 57.796 58.200 -0.055 0.000 1.039 484 S CB 0.170 63.475 63.200 0.175 0.000 0.902 484 S HN 0.481 nan 8.310 nan 0.000 0.516 485 Y N 2.446 122.676 120.300 -0.117 0.000 2.620 485 Y HA -0.001 4.604 4.550 0.091 0.000 0.330 485 Y C 0.852 176.729 175.900 -0.039 0.000 1.186 485 Y CA 0.087 58.131 58.100 -0.094 0.000 1.467 485 Y CB 0.174 38.580 38.460 -0.092 0.000 1.262 485 Y HN 0.576 nan 8.280 nan 0.000 0.550 486 Q N 5.376 124.830 119.800 -0.577 0.000 3.254 486 Q HA 0.002 4.397 4.340 0.092 0.000 0.315 486 Q C -0.186 175.514 176.000 -0.501 0.000 1.405 486 Q CA -0.005 55.550 55.803 -0.414 0.000 0.966 486 Q CB -0.228 28.335 28.738 -0.292 0.000 1.706 486 Q HN 0.660 nan 8.270 nan 0.000 0.525 487 E N 1.634 121.616 120.200 -0.364 0.000 2.413 487 E HA -0.013 4.392 4.350 0.092 0.000 0.263 487 E C -0.064 176.499 176.600 -0.061 0.000 1.015 487 E CA -0.527 55.789 56.400 -0.140 0.000 0.916 487 E CB 0.641 30.405 29.700 0.106 0.000 0.947 487 E HN 0.156 nan 8.360 nan 0.000 0.440 488 R N 3.184 123.673 120.500 -0.018 0.000 2.401 488 R HA 0.164 4.559 4.340 0.092 0.000 0.299 488 R C -1.618 174.705 176.300 0.038 0.000 1.064 488 R CA -0.134 55.970 56.100 0.006 0.000 1.000 488 R CB 0.604 30.919 30.300 0.024 0.000 0.973 488 R HN 0.232 nan 8.270 nan 0.000 0.438 489 V N 5.009 124.938 119.914 0.024 0.000 2.448 489 V HA 0.473 4.648 4.120 0.092 0.000 0.295 489 V C -0.410 175.697 176.094 0.022 0.000 1.025 489 V CA -0.621 61.698 62.300 0.031 0.000 0.859 489 V CB 1.420 33.259 31.823 0.026 0.000 0.988 489 V HN 0.885 nan 8.190 nan 0.000 0.431 490 E N 2.761 122.976 120.200 0.025 0.000 2.307 490 E HA 0.640 5.045 4.350 0.092 0.000 0.280 490 E C -0.463 176.143 176.600 0.010 0.000 0.900 490 E CA -0.114 56.295 56.400 0.014 0.000 0.790 490 E CB 2.075 31.783 29.700 0.014 0.000 1.261 490 E HN 1.014 nan 8.360 nan 0.000 0.405 491 G N 2.712 111.513 108.800 0.002 0.000 2.337 491 G HA2 0.047 4.062 3.960 0.092 0.000 0.298 491 G HA3 0.047 4.062 3.960 0.092 0.000 0.298 491 G C -1.460 173.434 174.900 -0.009 0.000 1.335 491 G CA -0.997 44.100 45.100 -0.005 0.000 0.875 491 G HN 0.412 nan 8.290 nan 0.000 0.579 492 N N 0.122 118.813 118.700 -0.014 0.000 2.463 492 N HA 0.354 5.149 4.740 0.092 0.000 0.270 492 N C -0.124 175.373 175.510 -0.022 0.000 1.205 492 N CA -0.235 52.805 53.050 -0.017 0.000 0.974 492 N CB 0.920 39.396 38.487 -0.019 0.000 1.197 492 N HN 0.484 nan 8.380 nan 0.000 0.504 493 K N 0.936 121.323 120.400 -0.022 0.000 2.294 493 K HA 0.203 4.578 4.320 0.092 0.000 0.288 493 K C -0.372 176.206 176.600 -0.036 0.000 1.072 493 K CA -0.229 56.041 56.287 -0.028 0.000 0.960 493 K CB -0.083 32.402 32.500 -0.025 0.000 1.043 493 K HN 0.345 nan 8.250 nan 0.000 0.455 494 V N 0.180 120.068 119.914 -0.044 0.000 2.962 494 V HA 0.499 4.674 4.120 0.092 0.000 0.313 494 V C -0.415 175.638 176.094 -0.069 0.000 1.099 494 V CA -1.358 60.911 62.300 -0.052 0.000 0.971 494 V CB 2.049 33.842 31.823 -0.049 0.000 1.028 494 V HN 0.604 nan 8.190 nan 0.000 0.430 495 R N 2.110 122.564 120.500 -0.077 0.000 2.666 495 R HA 0.556 4.951 4.340 0.092 0.000 0.275 495 R C -0.498 175.750 176.300 -0.087 0.000 1.266 495 R CA -0.134 55.906 56.100 -0.100 0.000 1.401 495 R CB 0.751 30.978 30.300 -0.123 0.000 1.145 495 R HN 0.941 nan 8.270 nan 0.000 0.581 496 E N 1.816 121.962 120.200 -0.090 0.000 2.308 496 E HA 0.264 4.669 4.350 0.092 0.000 0.275 496 E C -1.199 175.329 176.600 -0.120 0.000 0.890 496 E CA -1.061 55.288 56.400 -0.085 0.000 0.754 496 E CB 1.619 31.277 29.700 -0.069 0.000 1.207 496 E HN 0.094 nan 8.360 nan 0.000 0.426 497 R N 1.766 122.198 120.500 -0.113 0.000 2.438 497 R HA 0.221 4.616 4.340 0.092 0.000 0.287 497 R C -0.554 175.630 176.300 -0.194 0.000 1.077 497 R CA 0.053 56.045 56.100 -0.180 0.000 1.034 497 R CB 1.213 31.462 30.300 -0.085 0.000 0.993 497 R HN 0.407 nan 8.270 nan 0.000 0.459 498 S N 4.730 120.212 115.700 -0.364 0.000 2.549 498 S HA 0.122 4.647 4.470 0.092 0.000 0.286 498 S C -1.566 173.016 174.600 -0.030 0.000 1.314 498 S CA -1.253 56.827 58.200 -0.200 0.000 1.062 498 S CB 0.698 63.742 63.200 -0.260 0.000 0.865 498 S HN 0.541 nan 8.310 nan 0.000 0.498 499 P HA -0.108 nan 4.420 nan 0.000 0.218 499 P C 1.568 178.918 177.300 0.084 0.000 1.148 499 P CA 1.218 64.341 63.100 0.039 0.000 0.822 499 P CB -0.112 31.599 31.700 0.019 0.000 0.784 500 S N -1.888 113.903 115.700 0.151 0.000 2.440 500 S HA -0.144 4.380 4.470 0.092 0.000 0.238 500 S C 1.498 176.241 174.600 0.238 0.000 1.010 500 S CA 1.011 59.326 58.200 0.192 0.000 0.972 500 S CB -1.448 61.904 63.200 0.253 0.000 0.774 500 S HN -0.014 nan 8.310 nan 0.000 0.501 501 F N 2.159 122.091 119.950 -0.030 0.000 2.743 501 F HA 0.383 4.964 4.527 0.091 0.000 0.297 501 F C 1.988 177.698 175.800 -0.150 0.000 1.131 501 F CA -0.688 57.285 58.000 -0.044 0.000 1.426 501 F CB -0.666 38.342 39.000 0.014 0.000 1.116 501 F HN 0.341 nan 8.300 nan 0.000 0.583 502 G N 0.751 109.535 108.800 -0.027 0.000 3.401 502 G HA2 0.121 4.136 3.960 0.092 0.000 0.251 502 G HA3 0.121 4.136 3.960 0.092 0.000 0.251 502 G C -0.112 174.385 174.900 -0.671 0.000 0.960 502 G CA 0.155 45.055 45.100 -0.334 0.000 1.900 502 G HN 0.039 nan 8.290 nan 0.000 0.645 503 E N 0.339 120.027 120.200 -0.855 0.000 2.274 503 E HA 0.283 4.688 4.350 0.092 0.000 0.269 503 E C -0.966 175.217 176.600 -0.696 0.000 0.891 503 E CA -0.733 55.276 56.400 -0.651 0.000 0.784 503 E CB 1.421 30.973 29.700 -0.247 0.000 1.225 503 E HN 0.236 nan 8.360 nan 0.000 0.412 504 Y N 2.650 122.744 120.300 -0.344 0.000 2.471 504 Y HA 0.209 4.814 4.550 0.092 0.000 0.249 504 Y C 0.651 176.285 175.900 -0.444 0.000 1.116 504 Y CA -0.095 57.717 58.100 -0.481 0.000 1.240 504 Y CB 0.464 38.473 38.460 -0.751 0.000 1.251 504 Y HN 0.416 nan 8.280 nan 0.000 0.527 505 Y N -1.493 118.894 120.300 0.145 0.000 2.430 505 Y HA 0.113 4.718 4.550 0.092 0.000 0.254 505 Y C 2.348 178.306 175.900 0.098 0.000 1.088 505 Y CA 0.056 58.233 58.100 0.128 0.000 1.267 505 Y CB -0.223 38.319 38.460 0.137 0.000 1.204 505 Y HN 0.062 nan 8.280 nan 0.000 0.515 506 S N -0.837 114.991 115.700 0.213 0.000 2.387 506 S HA -0.180 4.345 4.470 0.092 0.000 0.226 506 S C 1.461 176.132 174.600 0.119 0.000 1.026 506 S CA 1.513 59.820 58.200 0.179 0.000 0.972 506 S CB -0.504 62.808 63.200 0.187 0.000 0.814 506 S HN 0.427 nan 8.310 nan 0.000 0.477 507 H N 2.811 121.792 119.070 -0.148 0.000 2.363 507 H HA 0.194 4.804 4.556 0.091 0.000 0.301 507 H C -0.699 174.391 175.328 -0.396 0.000 1.074 507 H CA 1.360 57.156 56.048 -0.421 0.000 1.354 507 H CB -1.590 27.714 29.762 -0.764 0.000 1.397 507 H HN 0.396 nan 8.280 nan 0.000 0.516 508 P HA -0.157 nan 4.420 nan 0.000 0.216 508 P C 1.443 178.923 177.300 0.300 0.000 1.150 508 P CA 1.630 64.869 63.100 0.232 0.000 0.837 508 P CB 0.117 31.982 31.700 0.276 0.000 0.786 509 R N -0.503 120.124 120.500 0.211 0.000 2.075 509 R HA -0.096 4.299 4.340 0.092 0.000 0.232 509 R C 2.172 178.598 176.300 0.210 0.000 1.126 509 R CA 0.988 57.219 56.100 0.218 0.000 0.963 509 R CB -1.053 29.339 30.300 0.154 0.000 0.858 509 R HN 0.053 nan 8.270 nan 0.000 0.435 510 L N 0.468 121.759 121.223 0.112 0.000 2.012 510 L HA -0.158 4.237 4.340 0.092 0.000 0.210 510 L C 1.986 178.914 176.870 0.097 0.000 1.073 510 L CA 1.785 56.656 54.840 0.051 0.000 0.748 510 L CB -0.694 41.322 42.059 -0.072 0.000 0.891 510 L HN 0.240 nan 8.230 nan 0.000 0.431 511 F N -0.779 119.199 119.950 0.047 0.000 2.075 511 F HA -0.288 4.294 4.527 0.092 0.000 0.297 511 F C 2.327 178.130 175.800 0.004 0.000 1.113 511 F CA 2.196 60.206 58.000 0.018 0.000 1.218 511 F CB -0.652 38.397 39.000 0.081 0.000 0.984 511 F HN 0.385 nan 8.300 nan 0.000 0.472 512 W N 1.443 122.709 121.300 -0.056 0.000 2.335 512 W HA -0.250 4.465 4.660 0.091 0.000 0.311 512 W C 1.758 178.146 176.519 -0.219 0.000 1.213 512 W CA 1.865 59.124 57.345 -0.144 0.000 1.274 512 W CB -0.721 28.758 29.460 0.032 0.000 1.148 512 W HN 0.097 nan 8.180 nan 0.000 0.498 513 L N 1.077 122.212 121.223 -0.146 0.000 2.362 513 L HA -0.154 4.241 4.340 0.092 0.000 0.219 513 L C 2.359 179.044 176.870 -0.308 0.000 1.134 513 L CA 1.065 55.761 54.840 -0.240 0.000 0.807 513 L CB -0.691 41.349 42.059 -0.032 0.000 0.927 513 L HN -0.142 nan 8.230 nan 0.000 0.447 514 S N -1.444 114.055 115.700 -0.334 0.000 2.528 514 S HA 0.041 4.566 4.470 0.092 0.000 0.219 514 S C 0.734 175.056 174.600 -0.463 0.000 0.985 514 S CA 0.140 58.142 58.200 -0.331 0.000 0.914 514 S CB 0.021 63.060 63.200 -0.267 0.000 0.776 514 S HN 0.314 nan 8.310 nan 0.000 0.526 515 Q N 2.271 121.686 119.800 -0.641 0.000 2.299 515 Q HA 0.269 4.664 4.340 0.092 0.000 0.246 515 Q C 0.598 176.208 176.000 -0.650 0.000 0.935 515 Q CA -0.108 55.276 55.803 -0.697 0.000 0.887 515 Q CB 0.353 28.597 28.738 -0.822 0.000 1.223 515 Q HN 0.420 nan 8.270 nan 0.000 0.439 516 T N -1.615 112.518 114.554 -0.702 0.000 2.748 516 T HA 0.126 4.531 4.350 0.092 0.000 0.304 516 T C -1.721 172.528 174.700 -0.753 0.000 1.041 516 T CA -1.262 60.394 62.100 -0.740 0.000 1.033 516 T CB 0.276 68.478 68.868 -1.110 0.000 0.995 516 T HN 0.223 nan 8.240 nan 0.000 0.536 517 P HA -0.049 nan 4.420 nan 0.000 0.215 517 P C 1.412 178.502 177.300 -0.350 0.000 1.153 517 P CA 1.171 64.050 63.100 -0.368 0.000 0.853 517 P CB -0.254 31.343 31.700 -0.172 0.000 0.788 518 F N -0.135 119.616 119.950 -0.331 0.000 2.259 518 F HA 0.024 4.606 4.527 0.091 0.000 0.298 518 F C 1.830 177.264 175.800 -0.609 0.000 1.088 518 F CA 0.880 58.619 58.000 -0.434 0.000 1.358 518 F CB -1.459 37.288 39.000 -0.422 0.000 1.040 518 F HN -0.108 nan 8.300 nan 0.000 0.505 519 E N 0.598 120.251 120.200 -0.913 0.000 2.072 519 E HA -0.206 4.199 4.350 0.092 0.000 0.191 519 E C 2.228 178.626 176.600 -0.336 0.000 0.985 519 E CA 1.435 57.506 56.400 -0.548 0.000 0.801 519 E CB -0.281 29.052 29.700 -0.611 0.000 0.750 519 E HN 0.630 nan 8.360 nan 0.000 0.452 520 Q N 0.272 119.788 119.800 -0.473 0.000 2.084 520 Q HA -0.206 4.189 4.340 0.092 0.000 0.202 520 Q C 2.248 178.268 176.000 0.034 0.000 0.978 520 Q CA 1.310 56.859 55.803 -0.424 0.000 0.844 520 Q CB -0.155 28.044 28.738 -0.898 0.000 0.898 520 Q HN 0.022 nan 8.270 nan 0.000 0.426 521 R N 0.381 120.873 120.500 -0.013 0.000 2.081 521 R HA -0.142 4.253 4.340 0.092 0.000 0.235 521 R C 1.652 178.123 176.300 0.285 0.000 1.131 521 R CA 1.795 57.981 56.100 0.143 0.000 0.960 521 R CB -0.328 30.034 30.300 0.104 0.000 0.856 521 R HN 0.458 nan 8.270 nan 0.000 0.436 522 H N -0.755 118.412 119.070 0.161 0.000 2.423 522 H HA -0.008 4.603 4.556 0.092 0.000 0.297 522 H C 1.992 177.435 175.328 0.192 0.000 1.075 522 H CA 1.166 57.322 56.048 0.181 0.000 1.342 522 H CB 0.032 29.910 29.762 0.194 0.000 1.395 522 H HN 0.185 nan 8.280 nan 0.000 0.530 523 I N 0.207 120.990 120.570 0.355 0.000 2.179 523 I HA -0.261 3.964 4.170 0.092 0.000 0.242 523 I C 2.305 178.712 176.117 0.482 0.000 1.088 523 I CA 0.827 62.373 61.300 0.409 0.000 1.357 523 I CB -0.176 38.164 38.000 0.566 0.000 1.051 523 I HN 0.081 nan 8.210 nan 0.000 0.409 524 V N 0.945 121.142 119.914 0.470 0.000 2.287 524 V HA -0.333 3.842 4.120 0.092 0.000 0.248 524 V C 2.100 178.374 176.094 0.300 0.000 1.053 524 V CA 2.158 64.682 62.300 0.373 0.000 1.027 524 V CB -0.702 31.297 31.823 0.295 0.000 0.646 524 V HN 0.426 nan 8.190 nan 0.000 0.447 525 D N 0.439 120.997 120.400 0.263 0.000 2.117 525 D HA -0.121 4.574 4.640 0.092 0.000 0.197 525 D C 2.178 178.554 176.300 0.126 0.000 0.987 525 D CA 1.658 55.777 54.000 0.199 0.000 0.829 525 D CB -0.648 40.275 40.800 0.204 0.000 0.961 525 D HN 0.488 nan 8.370 nan 0.000 0.460 526 G N 0.045 108.894 108.800 0.083 0.000 2.421 526 G HA2 -0.249 3.766 3.960 0.092 0.000 0.216 526 G HA3 -0.249 3.766 3.960 0.092 0.000 0.216 526 G C 1.486 176.380 174.900 -0.010 0.000 1.171 526 G CA 0.224 45.276 45.100 -0.080 0.000 0.775 526 G HN 0.155 nan 8.290 nan 0.000 0.543 527 F N 1.890 121.884 119.950 0.073 0.000 2.095 527 F HA -0.105 4.477 4.527 0.092 0.000 0.298 527 F C 3.180 178.906 175.800 -0.124 0.000 1.104 527 F CA 1.691 59.672 58.000 -0.031 0.000 1.232 527 F CB -0.443 38.544 39.000 -0.022 0.000 0.987 527 F HN 0.092 nan 8.300 nan 0.000 0.475 528 S N -0.153 115.647 115.700 0.167 0.000 2.356 528 S HA -0.215 4.310 4.470 0.092 0.000 0.223 528 S C 1.874 176.502 174.600 0.047 0.000 1.032 528 S CA 1.339 59.585 58.200 0.076 0.000 1.005 528 S CB -0.835 62.430 63.200 0.108 0.000 0.867 528 S HN 0.411 nan 8.310 nan 0.000 0.449 529 F N 2.568 122.480 119.950 -0.062 0.000 2.075 529 F HA -0.105 4.477 4.527 0.091 0.000 0.297 529 F C 2.342 178.086 175.800 -0.094 0.000 1.113 529 F CA 1.529 59.484 58.000 -0.076 0.000 1.218 529 F CB -0.333 38.562 39.000 -0.174 0.000 0.984 529 F HN 0.123 nan 8.300 nan 0.000 0.472 530 E N 0.215 120.421 120.200 0.010 0.000 2.051 530 E HA -0.215 4.190 4.350 0.092 0.000 0.192 530 E C 2.181 178.602 176.600 -0.300 0.000 0.991 530 E CA 1.305 57.666 56.400 -0.064 0.000 0.799 530 E CB -0.527 29.286 29.700 0.189 0.000 0.748 530 E HN 0.320 nan 8.360 nan 0.000 0.449 531 L N 1.214 122.175 121.223 -0.436 0.000 2.131 531 L HA -0.124 4.271 4.340 0.092 0.000 0.210 531 L C 2.328 179.039 176.870 -0.265 0.000 1.092 531 L CA 1.404 55.968 54.840 -0.460 0.000 0.759 531 L CB -0.858 40.956 42.059 -0.408 0.000 0.903 531 L HN -0.028 nan 8.230 nan 0.000 0.435 532 S N -0.690 114.875 115.700 -0.225 0.000 2.419 532 S HA -0.121 4.404 4.470 0.092 0.000 0.233 532 S C 1.638 176.133 174.600 -0.176 0.000 1.016 532 S CA 0.897 58.990 58.200 -0.179 0.000 0.974 532 S CB -0.101 62.995 63.200 -0.173 0.000 0.786 532 S HN 0.367 nan 8.310 nan 0.000 0.492 533 K N 1.171 121.441 120.400 -0.217 0.000 2.444 533 K HA 0.227 4.602 4.320 0.092 0.000 0.193 533 K C -0.012 176.580 176.600 -0.013 0.000 1.024 533 K CA 0.065 56.279 56.287 -0.122 0.000 1.077 533 K CB -0.137 32.276 32.500 -0.145 0.000 0.833 533 K HN 0.202 nan 8.250 nan 0.000 0.517 534 V N 2.395 122.280 119.914 -0.047 0.000 2.427 534 V HA -0.012 4.163 4.120 0.092 0.000 0.268 534 V C 1.759 177.838 176.094 -0.026 0.000 1.046 534 V CA -0.071 62.226 62.300 -0.004 0.000 0.970 534 V CB 1.180 32.964 31.823 -0.065 0.000 1.001 534 V HN -0.108 nan 8.190 nan 0.000 0.476 535 V N 5.308 125.229 119.914 0.011 0.000 2.427 535 V HA -0.088 4.087 4.120 0.092 0.000 0.248 535 V C 1.320 177.396 176.094 -0.030 0.000 1.051 535 V CA 1.373 63.675 62.300 0.003 0.000 1.048 535 V CB -0.540 31.303 31.823 0.032 0.000 0.666 535 V HN 0.768 nan 8.190 nan 0.000 0.456 536 R N 0.881 121.335 120.500 -0.077 0.000 2.242 536 R HA 0.191 4.586 4.340 0.092 0.000 0.334 536 R C -1.720 174.456 176.300 -0.207 0.000 1.071 536 R CA -1.460 54.563 56.100 -0.129 0.000 0.922 536 R CB 0.502 30.655 30.300 -0.244 0.000 1.023 536 R HN 0.239 nan 8.270 nan 0.000 0.458 537 P HA -0.226 nan 4.420 nan 0.000 0.216 537 P C 0.800 178.070 177.300 -0.049 0.000 1.150 537 P CA 1.266 64.338 63.100 -0.048 0.000 0.843 537 P CB -0.026 31.682 31.700 0.014 0.000 0.787 538 Y N -1.227 119.072 120.300 -0.002 0.000 2.274 538 Y HA -0.115 4.489 4.550 0.092 0.000 0.290 538 Y C 1.983 177.886 175.900 0.006 0.000 1.145 538 Y CA 0.807 58.907 58.100 -0.001 0.000 1.203 538 Y CB -1.818 36.642 38.460 0.000 0.000 0.984 538 Y HN -0.112 nan 8.280 nan 0.000 0.533 539 I N 0.951 121.122 120.570 -0.665 0.000 2.226 539 I HA -0.264 3.961 4.170 0.092 0.000 0.245 539 I C 2.549 178.582 176.117 -0.140 0.000 1.100 539 I CA 1.494 62.575 61.300 -0.366 0.000 1.374 539 I CB -0.399 37.366 38.000 -0.392 0.000 1.057 539 I HN 0.204 nan 8.210 nan 0.000 0.413 540 R N 0.834 121.241 120.500 -0.156 0.000 2.081 540 R HA -0.184 4.211 4.340 0.092 0.000 0.235 540 R C 2.126 178.378 176.300 -0.080 0.000 1.131 540 R CA 1.558 57.578 56.100 -0.133 0.000 0.960 540 R CB -0.473 29.747 30.300 -0.134 0.000 0.856 540 R HN 0.467 nan 8.270 nan 0.000 0.436 541 E N 0.536 120.712 120.200 -0.040 0.000 2.077 541 E HA -0.164 4.241 4.350 0.092 0.000 0.193 541 E C 2.131 178.738 176.600 0.010 0.000 0.989 541 E CA 1.029 57.425 56.400 -0.007 0.000 0.800 541 E CB -0.055 29.664 29.700 0.031 0.000 0.746 541 E HN 0.292 nan 8.360 nan 0.000 0.452 542 R N 0.361 120.883 120.500 0.037 0.000 2.092 542 R HA -0.079 4.316 4.340 0.092 0.000 0.231 542 R C 2.380 178.702 176.300 0.035 0.000 1.119 542 R CA 0.944 57.075 56.100 0.052 0.000 0.970 542 R CB -0.183 30.170 30.300 0.089 0.000 0.864 542 R HN 0.055 nan 8.270 nan 0.000 0.440 543 V N 0.289 120.219 119.914 0.028 0.000 2.358 543 V HA -0.178 3.997 4.120 0.092 0.000 0.246 543 V C 2.262 178.333 176.094 -0.038 0.000 1.047 543 V CA 1.376 63.702 62.300 0.043 0.000 1.035 543 V CB -0.227 31.643 31.823 0.078 0.000 0.658 543 V HN 0.111 nan 8.190 nan 0.000 0.452 544 V N 0.595 120.464 119.914 -0.075 0.000 2.407 544 V HA -0.306 3.869 4.120 0.092 0.000 0.248 544 V C 2.306 178.358 176.094 -0.070 0.000 1.055 544 V CA 2.443 64.676 62.300 -0.111 0.000 1.049 544 V CB -0.655 31.108 31.823 -0.100 0.000 0.662 544 V HN 0.653 nan 8.190 nan 0.000 0.455 545 D N -0.775 119.616 120.400 -0.014 0.000 2.144 545 D HA -0.191 4.504 4.640 0.092 0.000 0.199 545 D C 2.275 178.642 176.300 0.112 0.000 0.984 545 D CA 1.135 55.161 54.000 0.042 0.000 0.834 545 D CB -0.006 40.834 40.800 0.066 0.000 0.955 545 D HN 0.346 nan 8.370 nan 0.000 0.465 546 Q N -0.263 119.564 119.800 0.044 0.000 2.119 546 Q HA -0.061 4.334 4.340 0.092 0.000 0.201 546 Q C 2.519 178.526 176.000 0.011 0.000 0.972 546 Q CA 0.569 56.391 55.803 0.032 0.000 0.847 546 Q CB -0.142 28.642 28.738 0.077 0.000 0.903 546 Q HN 0.459 nan 8.270 nan 0.000 0.433 547 L N 0.079 121.255 121.223 -0.078 0.000 2.131 547 L HA -0.118 4.277 4.340 0.092 0.000 0.210 547 L C 2.314 179.070 176.870 -0.191 0.000 1.092 547 L CA 0.923 55.644 54.840 -0.197 0.000 0.759 547 L CB -0.615 41.225 42.059 -0.366 0.000 0.903 547 L HN 0.097 nan 8.230 nan 0.000 0.435 548 A N -0.882 121.856 122.820 -0.136 0.000 2.121 548 A HA -0.186 4.189 4.320 0.092 0.000 0.218 548 A C 1.703 179.138 177.584 -0.247 0.000 1.154 548 A CA 1.141 53.072 52.037 -0.176 0.000 0.679 548 A CB -0.666 18.242 19.000 -0.154 0.000 0.795 548 A HN 0.434 nan 8.150 nan 0.000 0.458 549 H N -1.363 117.495 119.070 -0.355 0.000 2.551 549 H HA 0.292 4.903 4.556 0.092 0.000 0.266 549 H C 1.560 176.610 175.328 -0.462 0.000 0.964 549 H CA 0.852 56.560 56.048 -0.568 0.000 1.180 549 H CB 0.130 29.148 29.762 -1.238 0.000 1.408 549 H HN 0.490 nan 8.280 nan 0.000 0.563 550 I N -1.164 119.308 120.570 -0.164 0.000 2.900 550 I HA 0.077 4.302 4.170 0.092 0.000 0.251 550 I C -0.142 175.905 176.117 -0.117 0.000 1.102 550 I CA 0.450 61.717 61.300 -0.055 0.000 1.457 550 I CB 0.682 38.674 38.000 -0.014 0.000 1.285 550 I HN 0.083 nan 8.210 nan 0.000 0.459 551 D N -0.316 119.942 120.400 -0.236 0.000 2.931 551 D HA 0.153 4.848 4.640 0.092 0.000 0.215 551 D C 0.356 176.501 176.300 -0.258 0.000 1.297 551 D CA -0.389 53.459 54.000 -0.254 0.000 0.892 551 D CB 1.493 42.020 40.800 -0.455 0.000 1.642 551 D HN -0.066 nan 8.370 nan 0.000 0.560 552 L N 3.119 124.249 121.223 -0.156 0.000 2.046 552 L HA -0.084 4.311 4.340 0.092 0.000 0.208 552 L C 1.293 178.092 176.870 -0.117 0.000 1.077 552 L CA 2.058 56.819 54.840 -0.131 0.000 0.747 552 L CB -0.817 41.191 42.059 -0.085 0.000 0.896 552 L HN 0.599 nan 8.230 nan 0.000 0.432 553 T N 0.912 115.424 114.554 -0.070 0.000 2.708 553 T HA -0.222 4.183 4.350 0.092 0.000 0.266 553 T C 1.864 176.519 174.700 -0.075 0.000 1.037 553 T CA 1.729 63.827 62.100 -0.003 0.000 1.146 553 T CB -0.403 68.547 68.868 0.137 0.000 0.865 553 T HN 0.343 nan 8.240 nan 0.000 0.435 554 L N 1.572 122.610 121.223 -0.308 0.000 2.017 554 L HA 0.047 4.442 4.340 0.092 0.000 0.208 554 L C 2.601 179.257 176.870 -0.357 0.000 1.073 554 L CA 2.072 56.578 54.840 -0.558 0.000 0.745 554 L CB -1.062 40.190 42.059 -1.344 0.000 0.894 554 L HN 0.208 nan 8.230 nan 0.000 0.432 555 A N -1.003 121.621 122.820 -0.327 0.000 1.877 555 A HA -0.259 4.116 4.320 0.092 0.000 0.216 555 A C 2.239 179.728 177.584 -0.159 0.000 1.186 555 A CA 1.939 53.828 52.037 -0.247 0.000 0.620 555 A CB -0.679 18.195 19.000 -0.210 0.000 0.822 555 A HN 0.692 nan 8.150 nan 0.000 0.443 556 Q N -0.860 118.870 119.800 -0.117 0.000 2.084 556 Q HA -0.106 4.289 4.340 0.092 0.000 0.202 556 Q C 2.467 178.441 176.000 -0.043 0.000 0.978 556 Q CA 1.302 57.065 55.803 -0.067 0.000 0.844 556 Q CB -0.360 28.352 28.738 -0.043 0.000 0.898 556 Q HN 0.693 nan 8.270 nan 0.000 0.426 557 A N 0.269 123.070 122.820 -0.032 0.000 1.902 557 A HA -0.139 4.236 4.320 0.092 0.000 0.217 557 A C 2.308 179.894 177.584 0.004 0.000 1.181 557 A CA 1.369 53.414 52.037 0.013 0.000 0.623 557 A CB -0.658 18.380 19.000 0.064 0.000 0.818 557 A HN 0.209 nan 8.150 nan 0.000 0.443 558 V N -0.157 119.732 119.914 -0.043 0.000 2.307 558 V HA -0.214 3.961 4.120 0.092 0.000 0.245 558 V C 3.075 179.138 176.094 -0.052 0.000 1.045 558 V CA 1.829 64.102 62.300 -0.046 0.000 1.024 558 V CB -1.312 30.428 31.823 -0.138 0.000 0.651 558 V HN 0.614 nan 8.190 nan 0.000 0.449 559 A N 0.106 122.883 122.820 -0.072 0.000 1.892 559 A HA -0.338 4.037 4.320 0.092 0.000 0.218 559 A C 2.341 179.907 177.584 -0.030 0.000 1.188 559 A CA 2.543 54.546 52.037 -0.057 0.000 0.631 559 A CB -0.592 18.372 19.000 -0.060 0.000 0.822 559 A HN 0.559 nan 8.150 nan 0.000 0.447 560 K N -0.621 119.769 120.400 -0.017 0.000 2.097 560 K HA -0.191 4.184 4.320 0.092 0.000 0.206 560 K C 1.528 178.134 176.600 0.009 0.000 1.049 560 K CA 1.618 57.905 56.287 0.000 0.000 0.933 560 K CB -0.214 32.293 32.500 0.010 0.000 0.717 560 K HN 0.427 nan 8.250 nan 0.000 0.442 561 N N 0.648 119.358 118.700 0.016 0.000 2.381 561 N HA -0.085 4.710 4.740 0.092 0.000 0.182 561 N C 1.306 176.822 175.510 0.009 0.000 1.025 561 N CA 0.844 53.910 53.050 0.027 0.000 0.888 561 N CB 0.102 38.618 38.487 0.048 0.000 0.965 561 N HN 0.274 nan 8.380 nan 0.000 0.438 562 L N -0.815 120.401 121.223 -0.011 0.000 2.607 562 L HA 0.239 4.633 4.340 0.092 0.000 0.228 562 L C 0.927 177.785 176.870 -0.020 0.000 1.123 562 L CA -0.029 54.795 54.840 -0.027 0.000 0.890 562 L CB -0.036 41.992 42.059 -0.052 0.000 1.103 562 L HN 0.095 nan 8.230 nan 0.000 0.468 563 G N 1.519 110.313 108.800 -0.011 0.000 2.198 563 G HA2 -0.287 3.728 3.960 0.092 0.000 0.260 563 G HA3 -0.287 3.728 3.960 0.092 0.000 0.260 563 G C 0.050 174.943 174.900 -0.012 0.000 1.025 563 G CA 0.080 45.175 45.100 -0.007 0.000 0.769 563 G HN 0.319 nan 8.290 nan 0.000 0.507 564 I N 0.023 120.582 120.570 -0.019 0.000 2.437 564 I HA 0.408 4.633 4.170 0.092 0.000 0.298 564 I C 0.331 176.435 176.117 -0.021 0.000 0.984 564 I CA -0.648 60.639 61.300 -0.022 0.000 1.214 564 I CB 1.557 39.538 38.000 -0.032 0.000 1.365 564 I HN 0.058 nan 8.210 nan 0.000 0.469 565 E N 6.040 126.230 120.200 -0.018 0.000 2.133 565 E HA 0.424 4.829 4.350 0.092 0.000 0.274 565 E C -0.971 175.615 176.600 -0.024 0.000 0.930 565 E CA -0.672 55.717 56.400 -0.019 0.000 0.770 565 E CB 1.758 31.450 29.700 -0.013 0.000 1.104 565 E HN 0.413 nan 8.360 nan 0.000 0.403 566 L N 2.703 123.907 121.223 -0.032 0.000 2.461 566 L HA 0.113 4.508 4.340 0.092 0.000 0.272 566 L C 1.158 178.008 176.870 -0.033 0.000 1.197 566 L CA -0.079 54.738 54.840 -0.039 0.000 0.836 566 L CB 0.152 42.179 42.059 -0.052 0.000 1.105 566 L HN 0.622 nan 8.230 nan 0.000 0.477 567 T N -2.755 111.779 114.554 -0.033 0.000 2.816 567 T HA 0.064 4.469 4.350 0.092 0.000 0.282 567 T C 0.821 175.500 174.700 -0.035 0.000 0.993 567 T CA -0.767 61.316 62.100 -0.028 0.000 0.994 567 T CB 1.302 70.156 68.868 -0.023 0.000 1.025 567 T HN 0.558 nan 8.240 nan 0.000 0.529 568 D N 0.382 120.764 120.400 -0.030 0.000 2.117 568 D HA -0.123 4.572 4.640 0.092 0.000 0.197 568 D C 1.324 177.598 176.300 -0.042 0.000 0.987 568 D CA 1.390 55.371 54.000 -0.032 0.000 0.829 568 D CB 0.012 40.797 40.800 -0.024 0.000 0.961 568 D HN 0.576 nan 8.370 nan 0.000 0.460 569 D N 0.593 120.968 120.400 -0.042 0.000 2.144 569 D HA -0.119 4.576 4.640 0.092 0.000 0.200 569 D C 2.136 178.386 176.300 -0.084 0.000 0.978 569 D CA 0.721 54.689 54.000 -0.053 0.000 0.833 569 D CB -0.293 40.484 40.800 -0.039 0.000 0.961 569 D HN 0.332 nan 8.370 nan 0.000 0.470 570 Q N -0.355 119.395 119.800 -0.082 0.000 2.124 570 Q HA -0.087 4.308 4.340 0.092 0.000 0.202 570 Q C 1.890 177.814 176.000 -0.127 0.000 0.977 570 Q CA 0.516 56.248 55.803 -0.118 0.000 0.850 570 Q CB -0.029 28.658 28.738 -0.086 0.000 0.901 570 Q HN 0.174 nan 8.270 nan 0.000 0.429 571 L N 0.773 121.942 121.223 -0.090 0.000 2.265 571 L HA -0.148 4.247 4.340 0.092 0.000 0.215 571 L C 0.870 177.691 176.870 -0.081 0.000 1.117 571 L CA 1.706 56.499 54.840 -0.079 0.000 0.782 571 L CB -0.322 41.704 42.059 -0.055 0.000 0.914 571 L HN 0.211 nan 8.230 nan 0.000 0.441 572 N N -1.567 117.082 118.700 -0.086 0.000 2.230 572 N HA 0.192 4.987 4.740 0.092 0.000 0.202 572 N C 0.092 175.539 175.510 -0.105 0.000 1.119 572 N CA -0.234 52.769 53.050 -0.078 0.000 0.851 572 N CB 0.471 38.924 38.487 -0.057 0.000 0.990 572 N HN 0.183 nan 8.380 nan 0.000 0.497 573 I N 1.971 122.444 120.570 -0.161 0.000 2.668 573 I HA -0.073 4.152 4.170 0.092 0.000 0.285 573 I C 0.401 176.421 176.117 -0.160 0.000 1.168 573 I CA 0.294 61.461 61.300 -0.223 0.000 1.424 573 I CB 0.347 38.089 38.000 -0.429 0.000 1.377 573 I HN 0.081 nan 8.210 nan 0.000 0.560 574 T N 7.890 122.376 114.554 -0.113 0.000 2.888 574 T HA 0.148 4.553 4.350 0.092 0.000 0.301 574 T C -2.065 172.598 174.700 -0.063 0.000 1.001 574 T CA -0.942 61.120 62.100 -0.064 0.000 1.147 574 T CB -0.030 68.822 68.868 -0.027 0.000 0.931 574 T HN 0.371 nan 8.240 nan 0.000 0.541 575 P HA 0.226 nan 4.420 nan 0.000 0.271 575 P C -2.235 175.082 177.300 0.028 0.000 1.218 575 P CA -1.434 61.656 63.100 -0.018 0.000 0.780 575 P CB -0.444 31.255 31.700 -0.002 0.000 0.901 576 P HA 0.167 nan 4.420 nan 0.000 0.270 576 P C -2.354 175.001 177.300 0.093 0.000 1.223 576 P CA -1.149 62.023 63.100 0.119 0.000 0.785 576 P CB -0.834 30.984 31.700 0.197 0.000 0.923 577 P HA 0.078 nan 4.420 nan 0.000 0.274 577 P C -0.418 176.932 177.300 0.084 0.000 1.256 577 P CA -0.041 63.106 63.100 0.079 0.000 0.795 577 P CB 0.227 31.974 31.700 0.079 0.000 1.038 578 D N -0.764 119.678 120.400 0.071 0.000 2.363 578 D HA 0.104 4.799 4.640 0.092 0.000 0.240 578 D C -0.355 175.996 176.300 0.085 0.000 1.236 578 D CA -0.350 53.689 54.000 0.065 0.000 0.927 578 D CB -0.156 40.675 40.800 0.053 0.000 1.150 578 D HN 0.000 nan 8.370 nan 0.000 0.458 579 V N 1.497 121.454 119.914 0.072 0.000 2.318 579 V HA 0.165 4.340 4.120 0.092 0.000 0.271 579 V C -0.083 176.107 176.094 0.159 0.000 1.030 579 V CA -0.827 61.548 62.300 0.126 0.000 0.844 579 V CB -0.666 31.153 31.823 -0.006 0.000 1.015 579 V HN 0.702 nan 8.190 nan 0.000 0.460 580 N N 4.339 123.145 118.700 0.176 0.000 2.705 580 N HA -0.214 4.581 4.740 0.092 0.000 0.255 580 N C 1.172 176.736 175.510 0.090 0.000 1.008 580 N CA 1.052 54.183 53.050 0.134 0.000 0.742 580 N CB -0.875 37.721 38.487 0.182 0.000 0.906 580 N HN 1.320 nan 8.380 nan 0.000 0.541 581 G N -1.748 107.094 108.800 0.071 0.000 2.168 581 G HA2 -0.331 3.684 3.960 0.092 0.000 0.263 581 G HA3 -0.331 3.684 3.960 0.092 0.000 0.263 581 G C 0.072 175.000 174.900 0.047 0.000 0.977 581 G CA 0.484 45.614 45.100 0.051 0.000 0.659 581 G HN 0.445 nan 8.290 nan 0.000 0.533 582 L N -0.359 120.896 121.223 0.054 0.000 2.289 582 L HA 0.486 4.881 4.340 0.092 0.000 0.285 582 L C 1.009 177.895 176.870 0.026 0.000 1.049 582 L CA -0.472 54.392 54.840 0.040 0.000 0.804 582 L CB 1.478 43.563 42.059 0.044 0.000 1.195 582 L HN 0.062 nan 8.230 nan 0.000 0.428 583 K N 3.655 124.065 120.400 0.017 0.000 2.514 583 K HA 0.213 4.588 4.320 0.092 0.000 0.207 583 K C -0.882 175.714 176.600 -0.007 0.000 1.035 583 K CA -0.235 56.059 56.287 0.012 0.000 1.113 583 K CB 0.409 32.918 32.500 0.014 0.000 0.846 583 K HN 0.538 nan 8.250 nan 0.000 0.491 584 K N -0.497 119.895 120.400 -0.014 0.000 3.035 584 K HA 0.113 4.488 4.320 0.092 0.000 0.330 584 K C -2.402 174.184 176.600 -0.022 0.000 1.164 584 K CA -0.894 55.369 56.287 -0.039 0.000 0.919 584 K CB 0.590 33.049 32.500 -0.069 0.000 1.368 584 K HN -0.126 nan 8.250 nan 0.000 0.385 585 D N 2.489 122.871 120.400 -0.030 0.000 2.478 585 D HA 0.320 5.014 4.640 0.092 0.000 0.240 585 D C -2.179 174.111 176.300 -0.017 0.000 1.364 585 D CA -1.978 52.023 54.000 0.002 0.000 0.987 585 D CB 2.212 43.036 40.800 0.039 0.000 1.328 585 D HN 0.268 nan 8.370 nan 0.000 0.584 586 P HA -0.110 nan 4.420 nan 0.000 0.221 586 P C 1.269 178.568 177.300 -0.002 0.000 1.145 586 P CA 0.870 63.947 63.100 -0.038 0.000 0.795 586 P CB 0.172 31.859 31.700 -0.022 0.000 0.775 587 S N -1.217 114.515 115.700 0.054 0.000 2.507 587 S HA -0.042 4.483 4.470 0.092 0.000 0.235 587 S C 1.616 176.313 174.600 0.161 0.000 0.988 587 S CA 0.704 58.974 58.200 0.116 0.000 0.944 587 S CB -1.340 61.954 63.200 0.156 0.000 0.762 587 S HN 0.149 nan 8.310 nan 0.000 0.526 588 L N 1.137 122.420 121.223 0.100 0.000 2.509 588 L HA 0.240 4.635 4.340 0.092 0.000 0.222 588 L C 1.392 178.177 176.870 -0.141 0.000 1.123 588 L CA 0.031 54.930 54.840 0.099 0.000 0.856 588 L CB -0.209 41.902 42.059 0.087 0.000 0.985 588 L HN 0.315 nan 8.230 nan 0.000 0.456 589 S N -0.367 115.229 115.700 -0.173 0.000 2.586 589 S HA 0.312 4.837 4.470 0.092 0.000 0.274 589 S C 1.050 175.534 174.600 -0.194 0.000 1.281 589 S CA -0.616 57.419 58.200 -0.274 0.000 1.035 589 S CB 1.403 64.438 63.200 -0.274 0.000 0.962 589 S HN 0.164 nan 8.310 nan 0.000 0.512 590 L N 3.065 124.091 121.223 -0.329 0.000 2.131 590 L HA 0.031 4.426 4.340 0.092 0.000 0.206 590 L C 0.975 177.572 176.870 -0.455 0.000 1.087 590 L CA 1.094 55.645 54.840 -0.480 0.000 0.767 590 L CB -0.262 41.229 42.059 -0.947 0.000 0.917 590 L HN 0.766 nan 8.230 nan 0.000 0.441 591 Y N -2.069 118.227 120.300 -0.006 0.000 2.430 591 Y HA 0.317 4.922 4.550 0.091 0.000 0.254 591 Y C 2.249 178.162 175.900 0.021 0.000 1.088 591 Y CA -0.155 57.987 58.100 0.070 0.000 1.267 591 Y CB -0.618 37.923 38.460 0.136 0.000 1.204 591 Y HN -0.027 nan 8.280 nan 0.000 0.515 592 A N 0.944 123.779 122.820 0.024 0.000 1.903 592 A HA -0.171 4.204 4.320 0.092 0.000 0.219 592 A C 1.020 178.631 177.584 0.046 0.000 1.191 592 A CA 1.441 53.466 52.037 -0.019 0.000 0.638 592 A CB -0.962 17.979 19.000 -0.099 0.000 0.823 592 A HN 0.338 nan 8.150 nan 0.000 0.451 593 I N 1.556 122.164 120.570 0.062 0.000 2.388 593 I HA 0.217 4.442 4.170 0.092 0.000 0.281 593 I C -2.372 173.816 176.117 0.118 0.000 1.046 593 I CA -2.216 59.131 61.300 0.077 0.000 1.187 593 I CB 1.366 39.401 38.000 0.059 0.000 1.351 593 I HN 0.080 nan 8.210 nan 0.000 0.472 594 P HA -0.021 nan 4.420 nan 0.000 0.261 594 P C -0.445 176.937 177.300 0.137 0.000 1.173 594 P CA 0.359 63.567 63.100 0.180 0.000 0.760 594 P CB 0.593 32.392 31.700 0.165 0.000 0.783 595 D N 0.658 121.147 120.400 0.148 0.000 2.672 595 D HA 0.117 4.812 4.640 0.092 0.000 0.287 595 D C 0.611 176.973 176.300 0.103 0.000 1.559 595 D CA -0.453 53.612 54.000 0.109 0.000 0.796 595 D CB -0.565 40.294 40.800 0.098 0.000 1.181 595 D HN 0.318 nan 8.370 nan 0.000 0.458 596 G N 0.250 109.125 108.800 0.124 0.000 2.380 596 G HA2 0.332 4.347 3.960 0.092 0.000 0.242 596 G HA3 0.332 4.347 3.960 0.092 0.000 0.242 596 G C -0.591 174.350 174.900 0.067 0.000 1.298 596 G CA -0.024 45.141 45.100 0.108 0.000 0.878 596 G HN 0.161 nan 8.290 nan 0.000 0.542 597 D N 0.914 121.343 120.400 0.048 0.000 2.505 597 D HA 0.268 4.963 4.640 0.092 0.000 0.249 597 D C 1.121 177.432 176.300 0.018 0.000 1.082 597 D CA -0.660 53.354 54.000 0.024 0.000 0.839 597 D CB 2.124 42.931 40.800 0.011 0.000 1.317 597 D HN 0.246 nan 8.370 nan 0.000 0.497 598 V N 1.562 121.478 119.914 0.004 0.000 3.471 598 V HA 0.245 4.420 4.120 0.092 0.000 0.258 598 V C 1.034 177.105 176.094 -0.039 0.000 1.192 598 V CA 0.042 62.338 62.300 -0.007 0.000 1.116 598 V CB -0.714 31.100 31.823 -0.014 0.000 0.792 598 V HN 0.421 nan 8.190 nan 0.000 0.459 599 K N 1.467 121.837 120.400 -0.050 0.000 2.472 599 K HA 0.363 4.738 4.320 0.092 0.000 0.280 599 K C 1.253 177.803 176.600 -0.082 0.000 1.028 599 K CA 1.239 57.473 56.287 -0.088 0.000 1.045 599 K CB 0.042 32.498 32.500 -0.072 0.000 0.902 599 K HN 0.735 nan 8.250 nan 0.000 0.478 600 G N 3.210 111.918 108.800 -0.153 0.000 2.217 600 G HA2 -0.221 3.794 3.960 0.092 0.000 0.246 600 G HA3 -0.221 3.794 3.960 0.092 0.000 0.246 600 G C 0.026 174.956 174.900 0.050 0.000 0.990 600 G CA -0.195 44.892 45.100 -0.022 0.000 0.627 600 G HN 0.572 nan 8.290 nan 0.000 0.522 601 R N -0.017 120.479 120.500 -0.006 0.000 2.707 601 R HA 0.603 4.998 4.340 0.092 0.000 0.270 601 R C 0.186 176.529 176.300 0.072 0.000 1.083 601 R CA -0.029 56.104 56.100 0.056 0.000 1.182 601 R CB 0.795 31.122 30.300 0.043 0.000 1.084 601 R HN 0.350 nan 8.270 nan 0.000 0.528 602 V N 0.851 120.834 119.914 0.115 0.000 2.735 602 V HA 0.406 4.581 4.120 0.092 0.000 0.310 602 V C -0.266 175.889 176.094 0.101 0.000 1.061 602 V CA -0.926 61.457 62.300 0.137 0.000 0.913 602 V CB 2.328 34.256 31.823 0.176 0.000 1.005 602 V HN 0.375 nan 8.190 nan 0.000 0.428 603 V N 2.667 122.636 119.914 0.091 0.000 2.495 603 V HA 0.768 4.943 4.120 0.092 0.000 0.298 603 V C 0.378 176.522 176.094 0.084 0.000 1.031 603 V CA -0.623 61.721 62.300 0.073 0.000 0.871 603 V CB 1.842 33.693 31.823 0.046 0.000 0.988 603 V HN 1.050 nan 8.190 nan 0.000 0.432 604 A N 6.174 129.049 122.820 0.092 0.000 2.320 604 A HA 0.775 5.150 4.320 0.092 0.000 0.287 604 A C -0.436 177.151 177.584 0.006 0.000 1.181 604 A CA -0.228 51.850 52.037 0.070 0.000 0.831 604 A CB 0.020 19.094 19.000 0.123 0.000 1.102 604 A HN 0.782 nan 8.150 nan 0.000 0.513 605 I N 3.472 124.044 120.570 0.003 0.000 2.354 605 I HA 0.166 4.390 4.170 0.092 0.000 0.286 605 I C -0.991 175.131 176.117 0.008 0.000 1.007 605 I CA -0.694 60.611 61.300 0.008 0.000 1.167 605 I CB 1.495 39.515 38.000 0.033 0.000 1.320 605 I HN 0.369 nan 8.210 nan 0.000 0.458 606 L N 7.735 128.951 121.223 -0.013 0.000 2.295 606 L HA 0.360 4.754 4.340 0.092 0.000 0.288 606 L C 0.162 177.133 176.870 0.169 0.000 1.079 606 L CA 0.180 55.070 54.840 0.084 0.000 0.830 606 L CB 0.160 42.131 42.059 -0.147 0.000 1.200 606 L HN 0.425 nan 8.230 nan 0.000 0.438 607 L N 3.441 124.815 121.223 0.251 0.000 2.475 607 L HA 0.370 4.765 4.340 0.092 0.000 0.253 607 L C 0.328 177.421 176.870 0.371 0.000 1.198 607 L CA -0.495 54.470 54.840 0.208 0.000 0.814 607 L CB 0.691 42.795 42.059 0.075 0.000 1.134 607 L HN 0.744 nan 8.230 nan 0.000 0.478 608 N N -2.258 116.580 118.700 0.230 0.000 2.761 608 N HA 0.241 5.036 4.740 0.092 0.000 0.283 608 N C -0.398 175.177 175.510 0.109 0.000 1.377 608 N CA -0.755 52.486 53.050 0.319 0.000 0.791 608 N CB 0.637 39.261 38.487 0.229 0.000 1.540 608 N HN 0.531 nan 8.380 nan 0.000 0.539 609 D N -2.070 118.415 120.400 0.142 0.000 2.363 609 D HA -0.058 4.637 4.640 0.092 0.000 0.226 609 D C -0.017 176.271 176.300 -0.021 0.000 1.020 609 D CA 0.720 54.717 54.000 -0.005 0.000 0.892 609 D CB -0.034 40.817 40.800 0.085 0.000 0.900 609 D HN 0.733 nan 8.370 nan 0.000 0.531 610 E N 0.384 120.587 120.200 0.005 0.000 4.230 610 E HA 0.195 4.600 4.350 0.092 0.000 0.216 610 E C -1.113 175.485 176.600 -0.003 0.000 1.132 610 E CA -0.511 55.886 56.400 -0.005 0.000 1.404 610 E CB 0.231 29.935 29.700 0.006 0.000 1.183 610 E HN -0.075 nan 8.360 nan 0.000 0.431 611 V N 1.736 121.642 119.914 -0.013 0.000 2.788 611 V HA 0.020 4.195 4.120 0.092 0.000 0.307 611 V C 0.775 176.861 176.094 -0.014 0.000 1.069 611 V CA 0.298 62.595 62.300 -0.006 0.000 1.173 611 V CB 0.452 32.266 31.823 -0.015 0.000 0.925 611 V HN 0.438 nan 8.190 nan 0.000 0.492 612 R N 3.964 124.456 120.500 -0.014 0.000 2.309 612 R HA 0.143 4.537 4.340 0.092 0.000 0.331 612 R C 1.615 177.899 176.300 -0.027 0.000 1.116 612 R CA 0.771 56.857 56.100 -0.024 0.000 0.970 612 R CB 0.186 30.467 30.300 -0.032 0.000 1.024 612 R HN 0.970 nan 8.270 nan 0.000 0.472 613 S N 3.664 119.349 115.700 -0.025 0.000 2.381 613 S HA -0.329 4.196 4.470 0.092 0.000 0.230 613 S C 1.977 176.563 174.600 -0.025 0.000 1.052 613 S CA 1.419 59.605 58.200 -0.023 0.000 1.068 613 S CB -0.510 62.678 63.200 -0.021 0.000 0.918 613 S HN 0.686 nan 8.310 nan 0.000 0.448 614 A N 1.938 124.741 122.820 -0.029 0.000 1.940 614 A HA -0.147 4.228 4.320 0.092 0.000 0.219 614 A C 2.006 179.564 177.584 -0.044 0.000 1.176 614 A CA 1.932 53.949 52.037 -0.033 0.000 0.631 614 A CB -1.108 17.870 19.000 -0.037 0.000 0.814 614 A HN 0.584 nan 8.150 nan 0.000 0.446 615 D N -0.328 120.037 120.400 -0.059 0.000 2.097 615 D HA -0.100 4.595 4.640 0.092 0.000 0.195 615 D C 1.920 178.195 176.300 -0.041 0.000 0.989 615 D CA 0.820 54.770 54.000 -0.083 0.000 0.827 615 D CB -0.311 40.428 40.800 -0.101 0.000 0.966 615 D HN 0.399 nan 8.370 nan 0.000 0.456 616 L N 0.018 121.228 121.223 -0.023 0.000 2.056 616 L HA -0.168 4.227 4.340 0.092 0.000 0.207 616 L C 2.118 178.989 176.870 0.002 0.000 1.078 616 L CA 0.504 55.342 54.840 -0.003 0.000 0.749 616 L CB -0.092 41.964 42.059 -0.005 0.000 0.901 616 L HN 0.087 nan 8.230 nan 0.000 0.433 617 L N -0.097 121.123 121.223 -0.005 0.000 1.970 617 L HA -0.225 4.170 4.340 0.092 0.000 0.212 617 L C 2.835 179.709 176.870 0.006 0.000 1.071 617 L CA 2.227 57.066 54.840 -0.001 0.000 0.751 617 L CB -1.516 40.540 42.059 -0.006 0.000 0.889 617 L HN 0.231 nan 8.230 nan 0.000 0.432 618 A N -0.592 122.229 122.820 0.002 0.000 1.892 618 A HA -0.235 4.139 4.320 0.092 0.000 0.218 618 A C 2.342 179.950 177.584 0.040 0.000 1.188 618 A CA 2.184 54.229 52.037 0.013 0.000 0.631 618 A CB -0.801 18.196 19.000 -0.005 0.000 0.822 618 A HN 0.419 nan 8.150 nan 0.000 0.447 619 I N -0.365 120.234 120.570 0.047 0.000 2.142 619 I HA -0.260 3.965 4.170 0.092 0.000 0.240 619 I C 2.418 178.567 176.117 0.053 0.000 1.078 619 I CA 1.308 62.655 61.300 0.078 0.000 1.343 619 I CB -0.382 37.671 38.000 0.088 0.000 1.046 619 I HN 0.294 nan 8.210 nan 0.000 0.405 620 L N 0.560 121.805 121.223 0.037 0.000 2.083 620 L HA -0.230 4.165 4.340 0.092 0.000 0.209 620 L C 2.630 179.514 176.870 0.023 0.000 1.083 620 L CA 1.425 56.283 54.840 0.030 0.000 0.752 620 L CB -0.733 41.341 42.059 0.025 0.000 0.899 620 L HN 0.277 nan 8.230 nan 0.000 0.433 621 K N 0.768 121.180 120.400 0.021 0.000 2.057 621 K HA -0.195 4.180 4.320 0.092 0.000 0.207 621 K C 2.156 178.765 176.600 0.016 0.000 1.049 621 K CA 1.461 57.757 56.287 0.016 0.000 0.931 621 K CB -0.077 32.431 32.500 0.014 0.000 0.714 621 K HN 0.251 nan 8.250 nan 0.000 0.440 622 A N 1.374 124.208 122.820 0.024 0.000 1.898 622 A HA -0.078 4.297 4.320 0.092 0.000 0.216 622 A C 2.146 179.735 177.584 0.009 0.000 1.181 622 A CA 1.168 53.218 52.037 0.022 0.000 0.620 622 A CB -0.556 18.469 19.000 0.041 0.000 0.819 622 A HN 0.322 nan 8.150 nan 0.000 0.442 623 L N -0.514 120.716 121.223 0.011 0.000 2.046 623 L HA -0.187 4.208 4.340 0.092 0.000 0.208 623 L C 2.669 179.524 176.870 -0.025 0.000 1.077 623 L CA 1.919 56.755 54.840 -0.007 0.000 0.747 623 L CB -0.455 41.608 42.059 0.007 0.000 0.896 623 L HN 0.501 nan 8.230 nan 0.000 0.432 624 K N 0.706 121.100 120.400 -0.009 0.000 2.097 624 K HA -0.171 4.204 4.320 0.092 0.000 0.206 624 K C 2.059 178.646 176.600 -0.020 0.000 1.049 624 K CA 1.288 57.568 56.287 -0.012 0.000 0.933 624 K CB -0.033 32.471 32.500 0.006 0.000 0.717 624 K HN 0.252 nan 8.250 nan 0.000 0.442 625 A N 1.188 124.000 122.820 -0.013 0.000 2.019 625 A HA -0.085 4.290 4.320 0.092 0.000 0.219 625 A C 1.620 179.190 177.584 -0.023 0.000 1.164 625 A CA 1.210 53.239 52.037 -0.013 0.000 0.644 625 A CB -0.086 18.911 19.000 -0.004 0.000 0.805 625 A HN 0.166 nan 8.150 nan 0.000 0.449 626 K N -1.437 118.943 120.400 -0.034 0.000 2.358 626 K HA 0.196 4.571 4.320 0.092 0.000 0.197 626 K C 0.982 177.536 176.600 -0.077 0.000 1.025 626 K CA 0.651 56.911 56.287 -0.045 0.000 1.104 626 K CB 0.130 32.607 32.500 -0.038 0.000 0.855 626 K HN 0.703 nan 8.250 nan 0.000 0.531 627 G N 1.577 110.318 108.800 -0.099 0.000 2.160 627 G HA2 -0.231 3.784 3.960 0.092 0.000 0.251 627 G HA3 -0.231 3.784 3.960 0.092 0.000 0.251 627 G C 0.079 174.785 174.900 -0.325 0.000 1.008 627 G CA 0.230 45.230 45.100 -0.167 0.000 0.724 627 G HN 0.115 nan 8.290 nan 0.000 0.514 628 V N 0.987 120.751 119.914 -0.250 0.000 2.465 628 V HA 0.489 4.664 4.120 0.092 0.000 0.279 628 V C 0.822 176.746 176.094 -0.283 0.000 1.045 628 V CA -0.691 61.447 62.300 -0.270 0.000 0.938 628 V CB 1.002 32.760 31.823 -0.108 0.000 0.986 628 V HN 0.460 nan 8.190 nan 0.000 0.467 629 H N 1.937 121.017 119.070 0.017 0.000 2.508 629 H HA 0.778 5.389 4.556 0.092 0.000 0.358 629 H C 0.213 175.560 175.328 0.030 0.000 1.212 629 H CA 0.082 56.143 56.048 0.021 0.000 1.356 629 H CB 1.135 30.911 29.762 0.023 0.000 1.525 629 H HN 0.845 nan 8.280 nan 0.000 0.578 630 A N 0.929 123.853 122.820 0.174 0.000 2.454 630 A HA 0.595 4.970 4.320 0.092 0.000 0.302 630 A C -1.160 176.479 177.584 0.093 0.000 1.079 630 A CA -0.976 51.124 52.037 0.107 0.000 0.731 630 A CB 1.363 20.407 19.000 0.074 0.000 1.299 630 A HN 0.798 nan 8.150 nan 0.000 0.413 631 K N 2.005 122.451 120.400 0.077 0.000 2.601 631 K HA 0.616 4.991 4.320 0.092 0.000 0.249 631 K C -1.836 174.791 176.600 0.044 0.000 0.966 631 K CA -0.490 55.834 56.287 0.062 0.000 0.827 631 K CB 1.124 33.670 32.500 0.076 0.000 1.178 631 K HN 0.538 nan 8.250 nan 0.000 0.437 632 L N 4.222 125.462 121.223 0.028 0.000 2.281 632 L HA 0.335 4.730 4.340 0.092 0.000 0.285 632 L C -0.566 176.306 176.870 0.003 0.000 1.074 632 L CA -1.029 53.821 54.840 0.016 0.000 0.817 632 L CB 0.371 42.432 42.059 0.004 0.000 1.168 632 L HN 0.486 nan 8.230 nan 0.000 0.434 633 L N 4.197 125.423 121.223 0.005 0.000 2.330 633 L HA 0.618 5.012 4.340 0.092 0.000 0.271 633 L C -0.509 176.273 176.870 -0.147 0.000 1.013 633 L CA -0.394 54.403 54.840 -0.072 0.000 0.816 633 L CB 1.550 43.592 42.059 -0.029 0.000 1.287 633 L HN 0.383 nan 8.230 nan 0.000 0.435 634 Y N -1.007 118.855 120.300 -0.731 0.000 2.853 634 Y HA 0.250 4.854 4.550 0.091 0.000 0.326 634 Y C 0.902 176.084 175.900 -1.197 0.000 1.384 634 Y CA -0.325 57.234 58.100 -0.903 0.000 1.077 634 Y CB 1.387 39.654 38.460 -0.322 0.000 1.395 634 Y HN 0.560 nan 8.280 nan 0.000 0.451 635 S N 0.581 115.485 115.700 -1.326 0.000 2.562 635 S HA 0.197 4.722 4.470 0.092 0.000 0.221 635 S C 0.075 174.478 174.600 -0.327 0.000 0.975 635 S CA 0.613 58.400 58.200 -0.688 0.000 0.918 635 S CB -0.208 62.691 63.200 -0.501 0.000 0.772 635 S HN 0.602 nan 8.310 nan 0.000 0.531 636 R N -1.473 118.918 120.500 -0.181 0.000 2.752 636 R HA 0.639 5.034 4.340 0.092 0.000 0.271 636 R C -0.693 175.621 176.300 0.023 0.000 1.026 636 R CA -1.077 55.003 56.100 -0.033 0.000 0.901 636 R CB 0.403 30.720 30.300 0.028 0.000 1.243 636 R HN -0.101 nan 8.270 nan 0.000 0.463 637 M N 0.168 119.774 119.600 0.009 0.000 1.960 637 M HA 0.501 5.036 4.480 0.092 0.000 0.229 637 M C 1.105 177.416 176.300 0.018 0.000 1.234 637 M CA 1.087 56.391 55.300 0.007 0.000 0.952 637 M CB 0.281 32.879 32.600 -0.003 0.000 1.294 637 M HN 1.035 nan 8.290 nan 0.000 0.514 638 G N 0.609 109.409 108.800 -0.001 0.000 2.709 638 G HA2 -0.134 3.881 3.960 0.092 0.000 0.228 638 G HA3 -0.134 3.881 3.960 0.092 0.000 0.228 638 G C -0.813 174.068 174.900 -0.032 0.000 1.215 638 G CA -0.301 44.793 45.100 -0.010 0.000 1.003 638 G HN 0.617 nan 8.290 nan 0.000 0.584 639 E N -1.303 118.864 120.200 -0.054 0.000 2.433 639 E HA 0.612 5.017 4.350 0.092 0.000 0.278 639 E C -0.680 175.827 176.600 -0.156 0.000 0.976 639 E CA -0.448 55.898 56.400 -0.091 0.000 0.793 639 E CB 3.017 32.678 29.700 -0.064 0.000 1.311 639 E HN 1.334 nan 8.360 nan 0.000 0.460 640 V N -2.002 117.792 119.914 -0.199 0.000 3.007 640 V HA 0.735 4.910 4.120 0.092 0.000 0.311 640 V C -0.617 175.387 176.094 -0.151 0.000 1.120 640 V CA -0.709 61.442 62.300 -0.249 0.000 0.980 640 V CB 1.954 33.500 31.823 -0.462 0.000 1.033 640 V HN 0.627 nan 8.190 nan 0.000 0.429 641 T N 2.727 117.210 114.554 -0.118 0.000 2.779 641 T HA 0.782 5.187 4.350 0.092 0.000 0.280 641 T C 0.462 175.123 174.700 -0.065 0.000 0.987 641 T CA 0.367 62.422 62.100 -0.075 0.000 0.966 641 T CB 1.418 70.254 68.868 -0.053 0.000 0.933 641 T HN 1.359 nan 8.240 nan 0.000 0.442 642 A N 2.418 125.207 122.820 -0.052 0.000 2.261 642 A HA 0.293 4.668 4.320 0.092 0.000 0.275 642 A C 1.537 179.103 177.584 -0.030 0.000 1.246 642 A CA -0.063 51.950 52.037 -0.040 0.000 0.810 642 A CB -0.034 18.946 19.000 -0.033 0.000 1.168 642 A HN 0.878 nan 8.150 nan 0.000 0.506 643 D N -1.016 119.370 120.400 -0.024 0.000 2.312 643 D HA -0.111 4.584 4.640 0.092 0.000 0.211 643 D C 0.413 176.702 176.300 -0.018 0.000 0.964 643 D CA 1.243 55.232 54.000 -0.019 0.000 0.877 643 D CB -0.239 40.550 40.800 -0.017 0.000 0.924 643 D HN 0.549 nan 8.370 nan 0.000 0.515 644 D N -1.318 119.071 120.400 -0.019 0.000 2.402 644 D HA 0.217 4.912 4.640 0.092 0.000 0.216 644 D C 1.547 177.837 176.300 -0.017 0.000 1.128 644 D CA 0.181 54.171 54.000 -0.017 0.000 0.833 644 D CB -0.041 40.749 40.800 -0.016 0.000 0.971 644 D HN 0.276 nan 8.370 nan 0.000 0.503 645 G N 0.156 108.944 108.800 -0.020 0.000 2.157 645 G HA2 -0.266 3.748 3.960 0.092 0.000 0.248 645 G HA3 -0.266 3.748 3.960 0.092 0.000 0.248 645 G C 0.354 175.240 174.900 -0.023 0.000 0.979 645 G CA 0.241 45.329 45.100 -0.021 0.000 0.650 645 G HN 0.426 nan 8.290 nan 0.000 0.529 646 T N 0.941 115.480 114.554 -0.024 0.000 2.888 646 T HA 0.411 4.816 4.350 0.092 0.000 0.301 646 T C 0.684 175.364 174.700 -0.033 0.000 1.001 646 T CA -0.010 62.075 62.100 -0.025 0.000 1.147 646 T CB 2.289 71.144 68.868 -0.023 0.000 0.931 646 T HN 0.435 nan 8.240 nan 0.000 0.541 647 V N 4.856 124.751 119.914 -0.031 0.000 2.432 647 V HA 0.216 4.391 4.120 0.092 0.000 0.271 647 V C -0.128 175.940 176.094 -0.043 0.000 1.046 647 V CA -0.634 61.642 62.300 -0.040 0.000 0.945 647 V CB 0.892 32.695 31.823 -0.033 0.000 0.992 647 V HN 0.565 nan 8.190 nan 0.000 0.471 648 L N 9.351 130.536 121.223 -0.062 0.000 2.277 648 L HA 0.489 4.883 4.340 0.092 0.000 0.284 648 L C -2.140 174.688 176.870 -0.070 0.000 1.028 648 L CA -2.084 52.718 54.840 -0.064 0.000 0.835 648 L CB 1.591 43.601 42.059 -0.081 0.000 1.215 648 L HN 0.427 nan 8.230 nan 0.000 0.425 649 P HA 0.190 nan 4.420 nan 0.000 0.276 649 P C -0.307 176.971 177.300 -0.038 0.000 1.243 649 P CA -0.106 62.971 63.100 -0.039 0.000 0.768 649 P CB 0.690 32.377 31.700 -0.022 0.000 0.856 650 I N 2.805 123.350 120.570 -0.042 0.000 2.352 650 I HA 0.150 4.375 4.170 0.092 0.000 0.290 650 I C 1.643 177.750 176.117 -0.017 0.000 1.036 650 I CA -0.328 60.953 61.300 -0.033 0.000 1.336 650 I CB 1.195 39.178 38.000 -0.028 0.000 1.407 650 I HN 0.361 nan 8.210 nan 0.000 0.497 651 A N 5.419 128.233 122.820 -0.010 0.000 1.930 651 A HA 0.511 4.886 4.320 0.092 0.000 0.215 651 A C 1.037 178.621 177.584 0.000 0.000 1.176 651 A CA 1.302 53.340 52.037 0.001 0.000 0.632 651 A CB 0.029 19.038 19.000 0.015 0.000 0.819 651 A HN 0.814 nan 8.150 nan 0.000 0.445 652 A N -2.097 120.716 122.820 -0.012 0.000 2.536 652 A HA 0.589 4.964 4.320 0.092 0.000 0.293 652 A C -0.070 177.469 177.584 -0.075 0.000 1.119 652 A CA 0.152 52.179 52.037 -0.016 0.000 0.654 652 A CB -0.207 18.807 19.000 0.023 0.000 1.291 652 A HN 0.796 nan 8.150 nan 0.000 0.439 653 T N -1.869 112.639 114.554 -0.077 0.000 2.902 653 T HA 0.578 4.983 4.350 0.092 0.000 0.280 653 T C 0.869 175.521 174.700 -0.080 0.000 0.992 653 T CA -0.061 61.925 62.100 -0.189 0.000 1.015 653 T CB 0.192 68.987 68.868 -0.122 0.000 1.044 653 T HN 0.486 nan 8.240 nan 0.000 0.520 654 F N 0.749 120.730 119.950 0.052 0.000 2.120 654 F HA -0.034 4.548 4.527 0.092 0.000 0.300 654 F C 2.879 178.825 175.800 0.243 0.000 1.095 654 F CA 1.161 59.250 58.000 0.148 0.000 1.249 654 F CB -0.570 38.489 39.000 0.098 0.000 0.995 654 F HN 0.712 nan 8.300 nan 0.000 0.480 655 A N 0.013 123.009 122.820 0.292 0.000 2.072 655 A HA 0.163 4.538 4.320 0.092 0.000 0.216 655 A C 2.373 180.026 177.584 0.114 0.000 1.156 655 A CA 1.082 53.227 52.037 0.180 0.000 0.701 655 A CB -1.204 17.863 19.000 0.113 0.000 0.816 655 A HN 0.377 nan 8.150 nan 0.000 0.458 656 G N -0.582 108.275 108.800 0.096 0.000 2.421 656 G HA2 0.293 4.308 3.960 0.092 0.000 0.217 656 G HA3 0.293 4.308 3.960 0.092 0.000 0.217 656 G C 0.655 175.604 174.900 0.081 0.000 1.143 656 G CA 0.934 46.071 45.100 0.062 0.000 0.784 656 G HN 1.015 nan 8.290 nan 0.000 0.541 657 A N 1.140 124.043 122.820 0.138 0.000 2.893 657 A HA 0.685 5.060 4.320 0.092 0.000 0.333 657 A C -2.610 175.124 177.584 0.249 0.000 1.152 657 A CA -1.204 50.927 52.037 0.157 0.000 0.782 657 A CB 1.333 20.423 19.000 0.150 0.000 1.108 657 A HN 0.125 nan 8.150 nan 0.000 0.469 658 P HA 0.057 nan 4.420 nan 0.000 0.271 658 P C 1.319 178.446 177.300 -0.288 0.000 1.233 658 P CA 0.318 63.347 63.100 -0.119 0.000 0.789 658 P CB 0.786 32.414 31.700 -0.119 0.000 0.951 659 S N 0.395 115.566 115.700 -0.881 0.000 2.420 659 S HA -0.186 4.339 4.470 0.092 0.000 0.237 659 S C 1.872 176.344 174.600 -0.214 0.000 1.023 659 S CA 1.157 59.010 58.200 -0.577 0.000 0.991 659 S CB -1.183 61.614 63.200 -0.671 0.000 0.792 659 S HN 0.190 nan 8.310 nan 0.000 0.488 660 L N 2.659 123.757 121.223 -0.208 0.000 2.089 660 L HA -0.094 4.300 4.340 0.092 0.000 0.213 660 L C 2.890 179.611 176.870 -0.248 0.000 1.079 660 L CA 2.302 57.020 54.840 -0.203 0.000 0.758 660 L CB -1.859 40.064 42.059 -0.226 0.000 0.891 660 L HN 0.788 nan 8.230 nan 0.000 0.433 661 T N -3.921 110.551 114.554 -0.138 0.000 3.129 661 T HA 0.233 4.638 4.350 0.092 0.000 0.251 661 T C 0.407 175.194 174.700 0.145 0.000 1.117 661 T CA 0.385 62.487 62.100 0.002 0.000 1.034 661 T CB -0.596 68.348 68.868 0.127 0.000 0.968 661 T HN 0.087 nan 8.240 nan 0.000 0.526 662 V N -2.895 117.071 119.914 0.087 0.000 3.155 662 V HA 0.585 4.760 4.120 0.092 0.000 0.313 662 V C -0.166 175.975 176.094 0.079 0.000 1.162 662 V CA -0.961 61.414 62.300 0.125 0.000 1.048 662 V CB 2.082 33.994 31.823 0.148 0.000 1.092 662 V HN -0.013 nan 8.190 nan 0.000 0.447 663 D N 0.712 121.159 120.400 0.079 0.000 2.366 663 D HA 0.509 5.204 4.640 0.092 0.000 0.205 663 D C 0.542 176.831 176.300 -0.019 0.000 1.022 663 D CA 1.454 55.476 54.000 0.036 0.000 0.868 663 D CB 1.538 42.380 40.800 0.070 0.000 0.953 663 D HN 0.985 nan 8.370 nan 0.000 0.514 664 A N 0.133 122.958 122.820 0.008 0.000 2.601 664 A HA 0.540 4.915 4.320 0.092 0.000 0.291 664 A C -1.578 176.021 177.584 0.025 0.000 1.075 664 A CA -0.540 51.486 52.037 -0.018 0.000 0.671 664 A CB 1.545 20.519 19.000 -0.044 0.000 1.277 664 A HN -0.111 nan 8.150 nan 0.000 0.417 665 V N 1.302 121.221 119.914 0.009 0.000 2.531 665 V HA 0.562 4.737 4.120 0.092 0.000 0.301 665 V C -0.675 175.416 176.094 -0.007 0.000 1.034 665 V CA -0.195 62.120 62.300 0.024 0.000 0.865 665 V CB 1.458 33.311 31.823 0.049 0.000 0.995 665 V HN 0.685 nan 8.190 nan 0.000 0.424 666 I N 4.460 125.034 120.570 0.006 0.000 2.465 666 I HA 0.546 4.771 4.170 0.092 0.000 0.291 666 I C -0.852 175.286 176.117 0.036 0.000 1.014 666 I CA -0.928 60.404 61.300 0.053 0.000 1.093 666 I CB 2.298 40.362 38.000 0.107 0.000 1.267 666 I HN 0.275 nan 8.210 nan 0.000 0.431 667 V N 7.592 127.545 119.914 0.065 0.000 2.325 667 V HA 0.330 4.505 4.120 0.092 0.000 0.280 667 V C -2.143 174.008 176.094 0.096 0.000 1.016 667 V CA -1.601 60.722 62.300 0.039 0.000 0.818 667 V CB 1.205 33.016 31.823 -0.021 0.000 1.019 667 V HN 0.555 nan 8.190 nan 0.000 0.434 668 P HA 0.196 nan 4.420 nan 0.000 0.274 668 P C 0.313 177.634 177.300 0.035 0.000 1.246 668 P CA -0.241 62.876 63.100 0.028 0.000 0.795 668 P CB 1.071 32.781 31.700 0.017 0.000 1.006 669 C N 0.538 119.832 119.300 -0.010 0.000 2.711 669 C HA 0.666 5.181 4.460 0.092 0.000 0.306 669 C C 1.275 176.274 174.990 0.015 0.000 1.479 669 C CA 1.667 60.686 59.018 0.001 0.000 2.271 669 C CB -0.945 26.773 27.740 -0.037 0.000 2.155 669 C HN 0.945 nan 8.230 nan 0.000 0.674 670 G N 0.791 109.599 108.800 0.013 0.000 2.236 670 G HA2 -0.045 3.970 3.960 0.092 0.000 0.231 670 G HA3 -0.045 3.970 3.960 0.092 0.000 0.231 670 G C -0.683 174.232 174.900 0.024 0.000 1.334 670 G CA 0.029 45.139 45.100 0.016 0.000 1.137 670 G HN 1.067 nan 8.290 nan 0.000 0.482 671 N N 1.273 119.994 118.700 0.036 0.000 2.663 671 N HA 0.182 4.977 4.740 0.092 0.000 0.250 671 N C 1.165 176.710 175.510 0.059 0.000 1.129 671 N CA -0.662 52.411 53.050 0.037 0.000 0.995 671 N CB -0.082 38.429 38.487 0.040 0.000 1.324 671 N HN 0.364 nan 8.380 nan 0.000 0.512 672 I N 2.251 122.841 120.570 0.035 0.000 3.001 672 I HA -0.134 4.091 4.170 0.092 0.000 0.268 672 I C 2.179 178.288 176.117 -0.014 0.000 1.267 672 I CA 0.551 61.868 61.300 0.028 0.000 1.472 672 I CB -1.254 36.728 38.000 -0.030 0.000 1.089 672 I HN 0.502 nan 8.210 nan 0.000 0.468 673 A N 0.521 123.334 122.820 -0.010 0.000 2.066 673 A HA -0.204 4.170 4.320 0.092 0.000 0.218 673 A C 2.046 179.643 177.584 0.022 0.000 1.157 673 A CA 1.482 53.508 52.037 -0.018 0.000 0.670 673 A CB -0.453 18.538 19.000 -0.015 0.000 0.804 673 A HN 0.395 nan 8.150 nan 0.000 0.453 674 D N 0.598 121.038 120.400 0.066 0.000 2.144 674 D HA -0.121 4.574 4.640 0.092 0.000 0.200 674 D C 1.441 177.807 176.300 0.109 0.000 0.978 674 D CA 1.648 55.710 54.000 0.103 0.000 0.833 674 D CB -0.187 40.711 40.800 0.164 0.000 0.961 674 D HN 0.601 nan 8.370 nan 0.000 0.470 675 I N -3.949 116.703 120.570 0.138 0.000 4.154 675 I HA 0.532 4.756 4.170 0.092 0.000 0.334 675 I C 1.749 177.969 176.117 0.171 0.000 1.371 675 I CA -0.224 61.172 61.300 0.159 0.000 1.110 675 I CB 0.353 38.484 38.000 0.218 0.000 1.085 675 I HN -0.080 nan 8.210 nan 0.000 0.398 676 A N 1.455 124.288 122.820 0.021 0.000 1.933 676 A HA -0.121 4.254 4.320 0.092 0.000 0.218 676 A C 1.479 179.020 177.584 -0.072 0.000 1.175 676 A CA 1.786 53.708 52.037 -0.192 0.000 0.628 676 A CB -0.393 18.446 19.000 -0.268 0.000 0.814 676 A HN 0.500 nan 8.150 nan 0.000 0.444 677 D N -0.281 120.110 120.400 -0.015 0.000 2.525 677 D HA 0.048 4.743 4.640 0.092 0.000 0.229 677 D C -0.298 176.019 176.300 0.029 0.000 1.202 677 D CA -0.142 53.859 54.000 0.002 0.000 0.828 677 D CB -0.189 40.605 40.800 -0.011 0.000 1.008 677 D HN 0.300 nan 8.370 nan 0.000 0.493 678 N N 1.010 119.742 118.700 0.052 0.000 2.437 678 N HA 0.066 4.861 4.740 0.092 0.000 0.243 678 N C 1.404 176.936 175.510 0.037 0.000 1.041 678 N CA -0.142 52.934 53.050 0.043 0.000 0.940 678 N CB 1.348 39.859 38.487 0.041 0.000 1.133 678 N HN 0.027 nan 8.380 nan 0.000 0.506 679 G N 3.295 112.120 108.800 0.041 0.000 2.529 679 G HA2 -0.307 3.708 3.960 0.092 0.000 0.219 679 G HA3 -0.307 3.708 3.960 0.092 0.000 0.219 679 G C 0.996 175.939 174.900 0.071 0.000 1.177 679 G CA 0.808 45.937 45.100 0.050 0.000 0.773 679 G HN 0.639 nan 8.290 nan 0.000 0.573 680 D N 1.090 121.534 120.400 0.074 0.000 2.123 680 D HA -0.104 4.591 4.640 0.092 0.000 0.196 680 D C 2.841 179.140 176.300 -0.002 0.000 0.992 680 D CA 1.360 55.435 54.000 0.125 0.000 0.833 680 D CB -0.431 40.502 40.800 0.221 0.000 0.954 680 D HN 0.363 nan 8.370 nan 0.000 0.455 681 A N 1.541 124.194 122.820 -0.279 0.000 1.877 681 A HA -0.184 4.191 4.320 0.092 0.000 0.216 681 A C 2.045 179.444 177.584 -0.309 0.000 1.186 681 A CA 1.241 52.883 52.037 -0.658 0.000 0.620 681 A CB -0.447 18.104 19.000 -0.748 0.000 0.822 681 A HN 0.142 nan 8.150 nan 0.000 0.443 682 N N -1.552 117.107 118.700 -0.067 0.000 2.142 682 N HA -0.172 4.623 4.740 0.092 0.000 0.186 682 N C 1.688 177.192 175.510 -0.009 0.000 1.023 682 N CA 1.684 54.741 53.050 0.012 0.000 0.852 682 N CB -0.470 38.083 38.487 0.109 0.000 0.998 682 N HN 0.685 nan 8.380 nan 0.000 0.424 683 Y N 0.651 120.918 120.300 -0.055 0.000 2.224 683 Y HA -0.286 4.319 4.550 0.091 0.000 0.289 683 Y C 2.408 178.264 175.900 -0.073 0.000 1.146 683 Y CA 1.316 59.381 58.100 -0.058 0.000 1.182 683 Y CB -0.353 38.079 38.460 -0.047 0.000 0.983 683 Y HN 0.015 nan 8.280 nan 0.000 0.524 684 Y N -0.314 119.867 120.300 -0.198 0.000 2.114 684 Y HA -0.323 4.282 4.550 0.091 0.000 0.282 684 Y C 2.081 177.791 175.900 -0.317 0.000 1.165 684 Y CA 1.843 59.797 58.100 -0.243 0.000 1.148 684 Y CB -0.515 37.804 38.460 -0.236 0.000 0.972 684 Y HN 0.161 nan 8.280 nan 0.000 0.504 685 L N -0.627 120.533 121.223 -0.104 0.000 2.072 685 L HA -0.217 4.178 4.340 0.092 0.000 0.205 685 L C 2.325 179.083 176.870 -0.186 0.000 1.079 685 L CA 1.707 56.461 54.840 -0.143 0.000 0.752 685 L CB -1.031 40.899 42.059 -0.216 0.000 0.906 685 L HN 0.309 nan 8.230 nan 0.000 0.436 686 M N -1.312 118.125 119.600 -0.272 0.000 2.175 686 M HA -0.214 4.321 4.480 0.092 0.000 0.264 686 M C 2.167 178.218 176.300 -0.415 0.000 1.063 686 M CA 1.515 56.645 55.300 -0.284 0.000 1.119 686 M CB -0.380 32.059 32.600 -0.268 0.000 1.377 686 M HN 0.254 nan 8.290 nan 0.000 0.415 687 E N 0.651 120.418 120.200 -0.723 0.000 2.047 687 E HA -0.168 4.237 4.350 0.092 0.000 0.191 687 E C 2.017 178.257 176.600 -0.600 0.000 0.987 687 E CA 1.253 57.181 56.400 -0.786 0.000 0.799 687 E CB 0.041 29.227 29.700 -0.856 0.000 0.752 687 E HN 0.470 nan 8.360 nan 0.000 0.449 688 A N 0.199 122.794 122.820 -0.376 0.000 1.933 688 A HA -0.194 4.181 4.320 0.092 0.000 0.218 688 A C 2.000 179.489 177.584 -0.158 0.000 1.175 688 A CA 1.336 53.246 52.037 -0.211 0.000 0.628 688 A CB -0.816 18.121 19.000 -0.105 0.000 0.814 688 A HN 0.539 nan 8.150 nan 0.000 0.444 689 Y N 0.596 120.744 120.300 -0.254 0.000 2.145 689 Y HA -0.201 4.404 4.550 0.091 0.000 0.286 689 Y C 2.400 178.180 175.900 -0.200 0.000 1.145 689 Y CA 2.333 60.313 58.100 -0.200 0.000 1.148 689 Y CB -0.243 38.114 38.460 -0.171 0.000 0.981 689 Y HN 0.313 nan 8.280 nan 0.000 0.507 690 K N -0.605 119.686 120.400 -0.181 0.000 2.103 690 K HA -0.239 4.136 4.320 0.092 0.000 0.207 690 K C 1.214 177.706 176.600 -0.180 0.000 1.048 690 K CA 2.112 58.264 56.287 -0.225 0.000 0.930 690 K CB -0.488 31.831 32.500 -0.302 0.000 0.716 690 K HN 0.591 nan 8.250 nan 0.000 0.444 691 H N 0.290 119.240 119.070 -0.200 0.000 2.547 691 H HA 0.164 4.775 4.556 0.092 0.000 0.274 691 H C 0.024 175.188 175.328 -0.274 0.000 1.024 691 H CA 0.232 56.156 56.048 -0.208 0.000 1.155 691 H CB 0.096 29.735 29.762 -0.205 0.000 1.344 691 H HN 0.138 nan 8.280 nan 0.000 0.598 692 L N 0.079 121.154 121.223 -0.246 0.000 4.140 692 L HA -0.269 4.126 4.340 0.092 0.000 0.406 692 L C -0.345 176.263 176.870 -0.436 0.000 1.175 692 L CA 0.543 55.143 54.840 -0.400 0.000 0.939 692 L CB -1.619 40.177 42.059 -0.438 0.000 2.105 692 L HN 0.317 nan 8.230 nan 0.000 0.803 693 K N 0.963 121.178 120.400 -0.309 0.000 2.144 693 K HA 0.453 4.828 4.320 0.092 0.000 0.270 693 K C -2.141 174.324 176.600 -0.224 0.000 1.005 693 K CA -1.800 54.325 56.287 -0.269 0.000 0.932 693 K CB 0.591 32.990 32.500 -0.169 0.000 1.021 693 K HN -0.202 nan 8.250 nan 0.000 0.462 694 P HA 0.061 nan 4.420 nan 0.000 0.268 694 P C -0.710 176.522 177.300 -0.114 0.000 1.204 694 P CA 0.409 63.407 63.100 -0.170 0.000 0.768 694 P CB 0.402 32.001 31.700 -0.170 0.000 0.842 695 I N 1.901 122.418 120.570 -0.089 0.000 2.545 695 I HA 0.646 4.871 4.170 0.092 0.000 0.292 695 I C -0.313 175.754 176.117 -0.082 0.000 1.040 695 I CA -0.878 60.389 61.300 -0.056 0.000 1.068 695 I CB 2.239 40.235 38.000 -0.007 0.000 1.251 695 I HN 0.266 nan 8.210 nan 0.000 0.424 696 A N 7.460 130.236 122.820 -0.073 0.000 2.359 696 A HA 0.855 5.230 4.320 0.092 0.000 0.303 696 A C -1.202 176.472 177.584 0.150 0.000 1.066 696 A CA -0.418 51.554 52.037 -0.107 0.000 0.730 696 A CB 1.056 19.803 19.000 -0.422 0.000 1.211 696 A HN 0.647 nan 8.150 nan 0.000 0.439 697 L N 2.114 123.488 121.223 0.252 0.000 2.356 697 L HA 0.759 5.153 4.340 0.092 0.000 0.277 697 L C 0.262 177.328 176.870 0.328 0.000 0.996 697 L CA -0.606 54.396 54.840 0.270 0.000 0.822 697 L CB 2.053 44.220 42.059 0.181 0.000 1.256 697 L HN 0.793 nan 8.230 nan 0.000 0.413 698 A N 2.210 125.127 122.820 0.162 0.000 2.330 698 A HA 0.838 5.213 4.320 0.092 0.000 0.327 698 A C 0.599 178.170 177.584 -0.022 0.000 1.155 698 A CA 0.271 52.276 52.037 -0.054 0.000 0.803 698 A CB 1.249 20.038 19.000 -0.352 0.000 1.208 698 A HN 0.988 nan 8.150 nan 0.000 0.477 699 G N 2.197 110.976 108.800 -0.035 0.000 2.629 699 G HA2 -0.365 3.650 3.960 0.092 0.000 0.313 699 G HA3 -0.365 3.650 3.960 0.092 0.000 0.313 699 G C 0.597 175.497 174.900 -0.000 0.000 1.217 699 G CA 1.066 46.152 45.100 -0.024 0.000 0.994 699 G HN 0.713 nan 8.290 nan 0.000 0.549 700 D N 1.377 121.773 120.400 -0.006 0.000 2.309 700 D HA 0.261 4.956 4.640 0.092 0.000 0.212 700 D C 2.611 178.904 176.300 -0.010 0.000 0.968 700 D CA 1.711 55.699 54.000 -0.019 0.000 0.882 700 D CB -0.584 40.199 40.800 -0.028 0.000 0.918 700 D HN 0.797 nan 8.370 nan 0.000 0.503 701 A N 0.378 123.239 122.820 0.069 0.000 2.070 701 A HA -0.167 4.208 4.320 0.092 0.000 0.220 701 A C 2.004 179.709 177.584 0.203 0.000 1.159 701 A CA 0.831 52.996 52.037 0.214 0.000 0.656 701 A CB -0.358 18.785 19.000 0.238 0.000 0.800 701 A HN 0.141 nan 8.150 nan 0.000 0.453 702 R N -0.222 120.334 120.500 0.094 0.000 2.293 702 R HA -0.079 4.316 4.340 0.092 0.000 0.219 702 R C 1.563 177.871 176.300 0.012 0.000 1.091 702 R CA 1.216 57.356 56.100 0.067 0.000 1.004 702 R CB -0.168 30.157 30.300 0.041 0.000 0.865 702 R HN 0.519 nan 8.270 nan 0.000 0.469 703 K N -0.351 120.006 120.400 -0.071 0.000 2.365 703 K HA -0.071 4.304 4.320 0.092 0.000 0.199 703 K C 1.191 177.664 176.600 -0.212 0.000 1.045 703 K CA 0.889 57.077 56.287 -0.166 0.000 0.962 703 K CB 0.034 32.384 32.500 -0.250 0.000 0.759 703 K HN 0.162 nan 8.250 nan 0.000 0.469 704 F N 1.559 121.482 119.950 -0.045 0.000 2.502 704 F HA -0.072 4.510 4.527 0.092 0.000 0.298 704 F C 1.879 177.629 175.800 -0.084 0.000 1.111 704 F CA 0.767 58.729 58.000 -0.064 0.000 1.445 704 F CB 0.017 38.979 39.000 -0.064 0.000 1.081 704 F HN -0.078 nan 8.300 nan 0.000 0.558 705 K N 0.327 120.769 120.400 0.071 0.000 2.113 705 K HA -0.209 4.166 4.320 0.092 0.000 0.208 705 K C 2.313 178.884 176.600 -0.049 0.000 1.047 705 K CA 1.209 57.491 56.287 -0.008 0.000 0.928 705 K CB -0.387 32.107 32.500 -0.010 0.000 0.716 705 K HN 0.262 nan 8.250 nan 0.000 0.446 706 A N 0.554 123.350 122.820 -0.040 0.000 1.933 706 A HA -0.176 4.199 4.320 0.092 0.000 0.218 706 A C 2.235 179.788 177.584 -0.052 0.000 1.175 706 A CA 2.103 54.110 52.037 -0.050 0.000 0.628 706 A CB -0.868 18.101 19.000 -0.051 0.000 0.814 706 A HN 0.327 nan 8.150 nan 0.000 0.444 707 T N 0.114 114.654 114.554 -0.023 0.000 2.915 707 T HA -0.035 4.370 4.350 0.092 0.000 0.269 707 T C 1.307 175.946 174.700 -0.103 0.000 1.071 707 T CA 1.408 63.495 62.100 -0.022 0.000 1.132 707 T CB -0.581 68.320 68.868 0.053 0.000 0.878 707 T HN 0.593 nan 8.240 nan 0.000 0.479 708 I N -2.374 118.081 120.570 -0.190 0.000 3.891 708 I HA 0.474 4.699 4.170 0.092 0.000 0.331 708 I C -0.026 175.845 176.117 -0.410 0.000 1.406 708 I CA -0.627 60.420 61.300 -0.422 0.000 1.139 708 I CB -0.070 37.490 38.000 -0.732 0.000 1.056 708 I HN -0.106 nan 8.210 nan 0.000 0.399 709 K N 1.988 122.264 120.400 -0.207 0.000 3.257 709 K HA -0.105 4.270 4.320 0.092 0.000 0.270 709 K C -0.556 175.969 176.600 -0.126 0.000 0.984 709 K CA 0.594 56.802 56.287 -0.132 0.000 0.739 709 K CB -1.504 30.940 32.500 -0.094 0.000 1.351 709 K HN 0.432 nan 8.250 nan 0.000 0.463 710 I N 0.463 120.959 120.570 -0.124 0.000 2.385 710 I HA 0.365 4.589 4.170 0.092 0.000 0.294 710 I C 1.351 177.447 176.117 -0.036 0.000 0.988 710 I CA -1.069 60.186 61.300 -0.075 0.000 1.265 710 I CB 0.901 38.857 38.000 -0.073 0.000 1.388 710 I HN 0.330 nan 8.210 nan 0.000 0.480 711 A N 4.916 127.727 122.820 -0.015 0.000 2.406 711 A HA 0.091 4.466 4.320 0.092 0.000 0.243 711 A C 1.045 178.626 177.584 -0.005 0.000 1.082 711 A CA -0.159 51.873 52.037 -0.008 0.000 0.786 711 A CB 0.118 19.119 19.000 0.002 0.000 1.029 711 A HN 0.760 nan 8.150 nan 0.000 0.495 712 D N 0.014 120.411 120.400 -0.005 0.000 2.178 712 D HA -0.178 4.517 4.640 0.092 0.000 0.201 712 D C 2.098 178.400 176.300 0.003 0.000 0.980 712 D CA 1.902 55.901 54.000 -0.002 0.000 0.842 712 D CB -0.117 40.680 40.800 -0.004 0.000 0.948 712 D HN 0.823 nan 8.370 nan 0.000 0.472 713 Q N 0.389 120.192 119.800 0.005 0.000 2.369 713 Q HA 0.117 4.512 4.340 0.092 0.000 0.206 713 Q C 0.923 176.929 176.000 0.010 0.000 0.963 713 Q CA 0.988 56.796 55.803 0.007 0.000 0.894 713 Q CB 0.092 28.835 28.738 0.007 0.000 0.965 713 Q HN 0.095 nan 8.270 nan 0.000 0.475 714 G N 1.221 110.027 108.800 0.010 0.000 2.655 714 G HA2 -0.187 3.828 3.960 0.092 0.000 0.680 714 G HA3 -0.187 3.828 3.960 0.092 0.000 0.680 714 G C -1.298 173.612 174.900 0.015 0.000 1.302 714 G CA -0.245 44.863 45.100 0.013 0.000 0.872 714 G HN 0.608 nan 8.290 nan 0.000 0.540 715 E N -0.548 119.663 120.200 0.018 0.000 2.372 715 E HA 0.512 4.917 4.350 0.092 0.000 0.279 715 E C -0.676 175.928 176.600 0.006 0.000 0.946 715 E CA -0.983 55.430 56.400 0.021 0.000 0.769 715 E CB 1.448 31.175 29.700 0.046 0.000 1.230 715 E HN 0.416 nan 8.360 nan 0.000 0.442 716 E N 1.286 121.482 120.200 -0.008 0.000 2.558 716 E HA 0.177 4.582 4.350 0.092 0.000 0.255 716 E C 0.821 177.389 176.600 -0.053 0.000 0.968 716 E CA 1.761 58.142 56.400 -0.032 0.000 0.939 716 E CB 0.966 30.646 29.700 -0.034 0.000 0.921 716 E HN 0.927 nan 8.360 nan 0.000 0.477 717 G N 2.953 111.708 108.800 -0.076 0.000 2.253 717 G HA2 -0.196 3.819 3.960 0.092 0.000 0.209 717 G HA3 -0.196 3.819 3.960 0.092 0.000 0.209 717 G C 0.113 174.970 174.900 -0.071 0.000 0.997 717 G CA -0.385 44.651 45.100 -0.107 0.000 0.640 717 G HN 0.407 nan 8.290 nan 0.000 0.496 718 I N 2.384 122.934 120.570 -0.032 0.000 2.390 718 I HA 0.469 4.694 4.170 0.092 0.000 0.283 718 I C 0.425 176.514 176.117 -0.048 0.000 1.016 718 I CA -1.156 60.134 61.300 -0.017 0.000 1.151 718 I CB 1.206 39.225 38.000 0.031 0.000 1.293 718 I HN -0.096 nan 8.210 nan 0.000 0.458 719 V N 7.584 127.432 119.914 -0.109 0.000 2.461 719 V HA 0.322 4.497 4.120 0.092 0.000 0.275 719 V C 0.364 176.435 176.094 -0.038 0.000 1.047 719 V CA -0.343 61.855 62.300 -0.170 0.000 0.955 719 V CB 1.008 32.567 31.823 -0.439 0.000 0.988 719 V HN 0.855 nan 8.190 nan 0.000 0.471 720 E N 4.414 124.660 120.200 0.078 0.000 2.383 720 E HA 0.913 5.318 4.350 0.092 0.000 0.275 720 E C -0.904 175.839 176.600 0.238 0.000 0.918 720 E CA -1.015 55.505 56.400 0.201 0.000 0.764 720 E CB 2.709 32.475 29.700 0.110 0.000 1.252 720 E HN 0.834 nan 8.360 nan 0.000 0.449 721 A N 1.452 124.403 122.820 0.219 0.000 2.452 721 A HA 0.258 4.633 4.320 0.092 0.000 0.294 721 A C -0.667 176.930 177.584 0.021 0.000 1.010 721 A CA -0.508 51.603 52.037 0.124 0.000 0.613 721 A CB 0.624 19.734 19.000 0.183 0.000 1.363 721 A HN 0.611 nan 8.150 nan 0.000 0.463 722 D N 0.540 120.933 120.400 -0.012 0.000 2.144 722 D HA 0.035 4.730 4.640 0.092 0.000 0.200 722 D C 1.114 177.356 176.300 -0.097 0.000 0.978 722 D CA 2.304 56.280 54.000 -0.041 0.000 0.833 722 D CB -0.028 40.755 40.800 -0.029 0.000 0.961 722 D HN 0.849 nan 8.370 nan 0.000 0.470 723 S N -1.210 114.396 115.700 -0.157 0.000 2.595 723 S HA 0.682 5.207 4.470 0.092 0.000 0.281 723 S C -0.661 173.640 174.600 -0.499 0.000 1.117 723 S CA -0.996 57.060 58.200 -0.240 0.000 0.873 723 S CB 2.449 65.560 63.200 -0.149 0.000 1.108 723 S HN 0.068 nan 8.310 nan 0.000 0.477 724 A N 1.965 124.439 122.820 -0.577 0.000 2.544 724 A HA 0.625 5.000 4.320 0.092 0.000 0.301 724 A C 0.433 177.781 177.584 -0.393 0.000 1.368 724 A CA 0.327 51.813 52.037 -0.918 0.000 1.045 724 A CB -1.556 17.119 19.000 -0.542 0.000 1.129 724 A HN 1.032 nan 8.150 nan 0.000 0.540 725 D N 0.195 120.441 120.400 -0.257 0.000 4.539 725 D HA 0.199 4.894 4.640 0.092 0.000 0.169 725 D C 0.871 177.221 176.300 0.084 0.000 0.966 725 D CA 1.691 55.747 54.000 0.092 0.000 0.982 725 D CB -1.041 39.807 40.800 0.080 0.000 0.676 725 D HN 1.808 nan 8.370 nan 0.000 0.692 726 G N -0.422 108.416 108.800 0.064 0.000 3.675 726 G HA2 -0.197 3.817 3.960 0.092 0.000 0.275 726 G HA3 -0.197 3.817 3.960 0.092 0.000 0.275 726 G C 0.813 175.758 174.900 0.075 0.000 1.648 726 G CA 1.736 46.867 45.100 0.052 0.000 1.093 726 G HN 1.670 nan 8.290 nan 0.000 0.617 727 S N 0.203 115.961 115.700 0.096 0.000 2.559 727 S HA 0.483 5.008 4.470 0.092 0.000 0.226 727 S C 1.715 176.387 174.600 0.121 0.000 1.000 727 S CA 0.911 59.162 58.200 0.084 0.000 0.948 727 S CB 0.257 63.489 63.200 0.054 0.000 0.870 727 S HN 1.149 nan 8.310 nan 0.000 0.497 728 F N 2.911 122.859 119.950 -0.002 0.000 2.095 728 F HA -0.036 4.546 4.527 0.091 0.000 0.298 728 F C 2.112 177.909 175.800 -0.005 0.000 1.104 728 F CA 1.666 59.664 58.000 -0.003 0.000 1.232 728 F CB -0.250 38.749 39.000 -0.001 0.000 0.987 728 F HN 0.143 nan 8.300 nan 0.000 0.475 729 M N 0.101 119.839 119.600 0.230 0.000 2.175 729 M HA -0.157 4.378 4.480 0.092 0.000 0.264 729 M C 1.797 178.093 176.300 -0.006 0.000 1.063 729 M CA 1.296 56.649 55.300 0.088 0.000 1.119 729 M CB -1.355 31.328 32.600 0.138 0.000 1.377 729 M HN 0.125 nan 8.290 nan 0.000 0.415 730 D N 0.562 120.970 120.400 0.013 0.000 2.117 730 D HA -0.146 4.549 4.640 0.092 0.000 0.197 730 D C 1.992 178.268 176.300 -0.041 0.000 0.987 730 D CA 1.183 55.178 54.000 -0.007 0.000 0.829 730 D CB -0.078 40.727 40.800 0.009 0.000 0.961 730 D HN 0.460 nan 8.370 nan 0.000 0.460 731 E N 0.162 120.322 120.200 -0.066 0.000 2.051 731 E HA -0.131 4.274 4.350 0.092 0.000 0.192 731 E C 2.103 178.617 176.600 -0.143 0.000 0.991 731 E CA 0.224 56.564 56.400 -0.100 0.000 0.799 731 E CB -0.061 29.567 29.700 -0.119 0.000 0.748 731 E HN 0.156 nan 8.360 nan 0.000 0.449 732 L N 0.969 122.066 121.223 -0.210 0.000 2.017 732 L HA -0.177 4.218 4.340 0.092 0.000 0.208 732 L C 2.196 178.991 176.870 -0.124 0.000 1.073 732 L CA 1.423 56.137 54.840 -0.211 0.000 0.745 732 L CB -0.493 41.394 42.059 -0.285 0.000 0.894 732 L HN 0.225 nan 8.230 nan 0.000 0.432 733 L N 0.116 121.287 121.223 -0.086 0.000 2.079 733 L HA -0.188 4.207 4.340 0.092 0.000 0.210 733 L C 2.638 179.480 176.870 -0.046 0.000 1.081 733 L CA 1.859 56.667 54.840 -0.053 0.000 0.752 733 L CB -1.467 40.572 42.059 -0.033 0.000 0.896 733 L HN 0.267 nan 8.230 nan 0.000 0.433 734 T N -0.563 113.960 114.554 -0.051 0.000 2.746 734 T HA -0.144 4.261 4.350 0.092 0.000 0.267 734 T C 2.033 176.701 174.700 -0.054 0.000 1.039 734 T CA 1.123 63.198 62.100 -0.040 0.000 1.142 734 T CB -0.154 68.691 68.868 -0.038 0.000 0.866 734 T HN 0.221 nan 8.240 nan 0.000 0.444 735 L N 0.273 121.445 121.223 -0.086 0.000 2.046 735 L HA -0.058 4.337 4.340 0.092 0.000 0.208 735 L C 2.693 179.498 176.870 -0.110 0.000 1.077 735 L CA 1.280 56.050 54.840 -0.117 0.000 0.747 735 L CB -0.568 41.400 42.059 -0.150 0.000 0.896 735 L HN 0.294 nan 8.230 nan 0.000 0.432 736 M N -0.536 119.015 119.600 -0.082 0.000 2.159 736 M HA -0.176 4.359 4.480 0.092 0.000 0.263 736 M C 2.465 178.767 176.300 0.003 0.000 1.063 736 M CA 1.738 57.010 55.300 -0.047 0.000 1.110 736 M CB -0.521 32.058 32.600 -0.034 0.000 1.374 736 M HN 0.321 nan 8.290 nan 0.000 0.411 737 A N 0.234 123.056 122.820 0.004 0.000 2.019 737 A HA 0.052 4.427 4.320 0.092 0.000 0.219 737 A C 2.141 179.766 177.584 0.069 0.000 1.164 737 A CA 1.673 53.732 52.037 0.036 0.000 0.644 737 A CB -0.619 18.396 19.000 0.024 0.000 0.805 737 A HN 0.504 nan 8.150 nan 0.000 0.449 738 A N -2.594 120.248 122.820 0.036 0.000 2.307 738 A HA 0.358 4.733 4.320 0.092 0.000 0.218 738 A C 0.940 178.557 177.584 0.054 0.000 1.228 738 A CA 1.194 53.265 52.037 0.058 0.000 0.857 738 A CB -0.484 18.507 19.000 -0.015 0.000 0.897 738 A HN 0.913 nan 8.150 nan 0.000 0.495 739 H N -1.077 117.940 119.070 -0.088 0.000 4.891 739 H HA -0.200 4.410 4.556 0.091 0.000 0.059 739 H C -0.020 175.090 175.328 -0.363 0.000 0.587 739 H CA 2.438 58.410 56.048 -0.127 0.000 0.970 739 H CB -0.553 29.241 29.762 0.054 0.000 0.535 739 H HN 0.453 nan 8.280 nan 0.000 0.802 740 R N -0.167 119.740 120.500 -0.988 0.000 2.795 740 R HA 0.589 4.984 4.340 0.092 0.000 0.275 740 R C -0.686 174.751 176.300 -1.438 0.000 0.981 740 R CA -0.344 54.928 56.100 -1.379 0.000 0.917 740 R CB 1.812 30.953 30.300 -1.932 0.000 1.202 740 R HN 0.104 nan 8.270 nan 0.000 0.469 741 V N 2.818 122.146 119.914 -0.977 0.000 2.276 741 V HA 0.088 4.263 4.120 0.092 0.000 0.249 741 V C 0.768 176.476 176.094 -0.643 0.000 1.160 741 V CA -0.357 61.531 62.300 -0.687 0.000 1.042 741 V CB -0.317 31.249 31.823 -0.428 0.000 1.224 741 V HN 0.723 nan 8.190 nan 0.000 0.496 742 W N 1.829 122.850 121.300 -0.465 0.000 2.374 742 W HA -0.180 4.535 4.660 0.091 0.000 0.288 742 W C 2.527 178.838 176.519 -0.346 0.000 1.218 742 W CA 0.849 57.827 57.345 -0.612 0.000 1.245 742 W CB -0.387 28.358 29.460 -1.191 0.000 1.126 742 W HN 0.665 nan 8.180 nan 0.000 0.545 743 S N 0.692 116.358 115.700 -0.055 0.000 2.474 743 S HA -0.151 4.374 4.470 0.092 0.000 0.235 743 S C 1.700 176.267 174.600 -0.054 0.000 0.997 743 S CA 0.896 59.080 58.200 -0.027 0.000 0.949 743 S CB -0.423 62.762 63.200 -0.025 0.000 0.766 743 S HN 0.405 nan 8.310 nan 0.000 0.517 744 R N 0.731 121.153 120.500 -0.129 0.000 2.299 744 R HA 0.241 4.636 4.340 0.092 0.000 0.197 744 R C 1.749 177.975 176.300 -0.123 0.000 0.971 744 R CA 0.321 56.321 56.100 -0.168 0.000 1.030 744 R CB -0.381 29.702 30.300 -0.361 0.000 0.932 744 R HN 0.473 nan 8.270 nan 0.000 0.477 745 I N 1.917 122.457 120.570 -0.051 0.000 2.118 745 I HA -0.243 3.982 4.170 0.092 0.000 0.241 745 I C -0.771 175.369 176.117 0.039 0.000 1.070 745 I CA 1.421 62.736 61.300 0.024 0.000 1.327 745 I CB -0.959 37.105 38.000 0.108 0.000 1.034 745 I HN 0.165 nan 8.210 nan 0.000 0.405 746 P HA -0.162 nan 4.420 nan 0.000 0.221 746 P C 1.061 178.393 177.300 0.053 0.000 1.145 746 P CA 1.475 64.606 63.100 0.052 0.000 0.795 746 P CB -0.099 31.629 31.700 0.047 0.000 0.775 747 K N -0.605 119.824 120.400 0.048 0.000 2.379 747 K HA 0.130 4.505 4.320 0.092 0.000 0.194 747 K C 1.943 178.614 176.600 0.119 0.000 1.031 747 K CA 0.385 56.726 56.287 0.089 0.000 1.037 747 K CB -0.189 32.392 32.500 0.135 0.000 0.824 747 K HN 0.282 nan 8.250 nan 0.000 0.516 748 I N -1.704 118.904 120.570 0.063 0.000 2.761 748 I HA -0.076 4.148 4.170 0.092 0.000 0.261 748 I C 1.297 177.461 176.117 0.078 0.000 1.198 748 I CA 1.101 62.443 61.300 0.070 0.000 1.482 748 I CB -0.091 37.899 38.000 -0.016 0.000 1.100 748 I HN -0.159 nan 8.210 nan 0.000 0.445 749 D N 2.184 122.629 120.400 0.075 0.000 2.133 749 D HA -0.180 4.514 4.640 0.092 0.000 0.195 749 D C 1.972 178.312 176.300 0.067 0.000 0.997 749 D CA 1.353 55.397 54.000 0.073 0.000 0.840 749 D CB -0.024 40.819 40.800 0.072 0.000 0.947 749 D HN 0.198 nan 8.370 nan 0.000 0.452 750 K N -0.030 120.410 120.400 0.067 0.000 2.365 750 K HA 0.112 4.487 4.320 0.092 0.000 0.199 750 K C 0.566 177.198 176.600 0.052 0.000 1.045 750 K CA -0.148 56.172 56.287 0.056 0.000 0.962 750 K CB -0.221 32.309 32.500 0.050 0.000 0.759 750 K HN 0.232 nan 8.250 nan 0.000 0.469 751 I N 3.043 123.653 120.570 0.067 0.000 2.452 751 I HA 0.088 4.312 4.170 0.092 0.000 0.287 751 I C -2.221 173.924 176.117 0.046 0.000 1.079 751 I CA -2.215 59.115 61.300 0.051 0.000 1.387 751 I CB 0.683 38.729 38.000 0.076 0.000 1.404 751 I HN -0.026 nan 8.210 nan 0.000 0.522 752 P HA 0.335 nan 4.420 nan 0.000 0.260 752 P C -1.000 176.355 177.300 0.093 0.000 1.651 752 P CA -0.010 63.125 63.100 0.058 0.000 1.139 752 P CB 0.261 31.991 31.700 0.050 0.000 1.756 753 A N 0.000 122.873 122.820 0.088 0.000 2.254 753 A HA 0.000 4.375 4.320 0.092 0.000 0.244 753 A CA 0.000 52.130 52.037 0.155 0.000 0.836 753 A CB 0.000 18.968 19.000 -0.052 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486