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 1csi_1_A DATA FIRST_RESID 3 DATA SEQUENCE STNLKDVLAS LIPKEQARIK TFRQQHGNTA VGQITVDMSY GGMRGMKGLI DATA SEQUENCE YETSVLDPDE GIRFRGFSIP ECQKLLPKAG GGEEPLPEGL FWLLVTGQIP DATA SEQUENCE TPEQVSWVSK EWAKRAALPS HVVTMLDNFP TNLHPMSQLS AAITALNSES DATA SEQUENCE NFARAYAEGI NRTKYWEFVY EDAMDLIAKL PCVAAKIYRN LYRAGSSIGA DATA SEQUENCE IDSKLDWSHN FTNMLGYTDP QFTELMRLYL TIHSDHEGGN VSAHTSHLVG DATA SEQUENCE SALSDPYLSF AAAMNGLAGP LHGLANQEVL LWLSQLQKDL GADASDEKLR DATA SEQUENCE DYIWNTLNSG RVVPGYGHAV LRKTDPRYTC QREFALKHLP SDPMFKLVAQ DATA SEQUENCE LYKIVPNVLL EQGKAKNPWP NVDAHSGVLL QYYGMTEMNY YTVLFGVSRA DATA SEQUENCE LGVLAQLIWS RALGFPLERP KSMSTAGLEK LSAGG 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.521 174.600 -0.131 0.000 1.055 3 S CA 0.000 58.167 58.200 -0.055 0.000 1.107 3 S CB 0.000 63.178 63.200 -0.037 0.000 0.593 4 T N 2.781 117.196 114.554 -0.231 0.000 2.856 4 T HA 0.569 4.897 4.350 -0.037 0.000 0.292 4 T C -0.553 173.692 174.700 -0.759 0.000 0.980 4 T CA -0.220 61.613 62.100 -0.444 0.000 1.091 4 T CB 0.800 69.341 68.868 -0.544 0.000 0.936 4 T HN 0.464 nan 8.240 nan 0.000 0.503 5 N N 2.780 121.097 118.700 -0.638 0.000 2.812 5 N HA 0.110 4.828 4.740 -0.037 0.000 0.262 5 N C 0.498 175.759 175.510 -0.415 0.000 1.241 5 N CA -0.354 52.337 53.050 -0.599 0.000 0.854 5 N CB 0.685 39.049 38.487 -0.205 0.000 1.506 5 N HN 0.347 nan 8.380 nan 0.000 0.576 6 L N 4.321 125.259 121.223 -0.476 0.000 2.127 6 L HA -0.044 4.274 4.340 -0.037 0.000 0.211 6 L C 2.216 178.940 176.870 -0.244 0.000 1.089 6 L CA 1.902 56.560 54.840 -0.304 0.000 0.757 6 L CB -0.380 41.657 42.059 -0.037 0.000 0.899 6 L HN 0.593 nan 8.230 nan 0.000 0.434 7 K N -0.810 119.449 120.400 -0.235 0.000 2.103 7 K HA -0.191 4.107 4.320 -0.037 0.000 0.207 7 K C 1.600 178.092 176.600 -0.179 0.000 1.048 7 K CA 1.673 57.714 56.287 -0.411 0.000 0.930 7 K CB -0.069 32.091 32.500 -0.566 0.000 0.716 7 K HN 0.430 nan 8.250 nan 0.000 0.444 8 D N -0.046 120.267 120.400 -0.146 0.000 2.183 8 D HA -0.101 4.517 4.640 -0.037 0.000 0.203 8 D C 1.887 178.118 176.300 -0.115 0.000 0.969 8 D CA 0.688 54.630 54.000 -0.098 0.000 0.842 8 D CB 0.111 40.861 40.800 -0.083 0.000 0.957 8 D HN 0.024 nan 8.370 nan 0.000 0.484 9 V N 1.142 120.963 119.914 -0.154 0.000 2.307 9 V HA -0.178 3.920 4.120 -0.037 0.000 0.245 9 V C 2.663 178.633 176.094 -0.207 0.000 1.045 9 V CA 0.977 63.186 62.300 -0.151 0.000 1.024 9 V CB -0.350 31.371 31.823 -0.170 0.000 0.651 9 V HN 0.157 nan 8.190 nan 0.000 0.449 10 L N 0.098 121.137 121.223 -0.306 0.000 2.079 10 L HA -0.187 4.131 4.340 -0.037 0.000 0.210 10 L C 2.671 179.223 176.870 -0.529 0.000 1.081 10 L CA 1.517 56.066 54.840 -0.485 0.000 0.752 10 L CB -0.675 40.986 42.059 -0.662 0.000 0.896 10 L HN 0.375 nan 8.230 nan 0.000 0.433 11 A N -1.056 121.583 122.820 -0.302 0.000 1.986 11 A HA -0.219 4.079 4.320 -0.037 0.000 0.220 11 A C 2.445 179.943 177.584 -0.143 0.000 1.171 11 A CA 2.290 54.239 52.037 -0.147 0.000 0.640 11 A CB -0.450 18.575 19.000 0.040 0.000 0.811 11 A HN 0.436 nan 8.150 nan 0.000 0.451 12 S N -1.008 114.613 115.700 -0.131 0.000 2.421 12 S HA 0.105 4.553 4.470 -0.037 0.000 0.224 12 S C 1.771 176.321 174.600 -0.083 0.000 1.035 12 S CA 0.744 58.894 58.200 -0.084 0.000 0.953 12 S CB -0.256 62.908 63.200 -0.060 0.000 0.810 12 S HN 0.476 nan 8.310 nan 0.000 0.497 13 L N 1.257 122.418 121.223 -0.102 0.000 2.056 13 L HA -0.020 4.298 4.340 -0.037 0.000 0.207 13 L C 1.999 178.878 176.870 0.015 0.000 1.078 13 L CA 0.949 55.781 54.840 -0.014 0.000 0.749 13 L CB -0.371 41.716 42.059 0.047 0.000 0.901 13 L HN 0.273 nan 8.230 nan 0.000 0.433 14 I N 0.020 120.490 120.570 -0.166 0.000 2.087 14 I HA -0.289 3.859 4.170 -0.037 0.000 0.240 14 I C -0.508 175.573 176.117 -0.059 0.000 1.054 14 I CA 1.763 62.944 61.300 -0.199 0.000 1.311 14 I CB -1.568 36.044 38.000 -0.646 0.000 1.024 14 I HN 0.257 nan 8.210 nan 0.000 0.402 15 P HA -0.171 nan 4.420 nan 0.000 0.218 15 P C 1.099 178.400 177.300 0.002 0.000 1.149 15 P CA 1.508 64.596 63.100 -0.020 0.000 0.817 15 P CB -0.189 31.500 31.700 -0.018 0.000 0.785 16 K N -0.040 120.360 120.400 0.000 0.000 2.062 16 K HA -0.078 4.220 4.320 -0.037 0.000 0.205 16 K C 1.853 178.460 176.600 0.011 0.000 1.051 16 K CA 1.013 57.302 56.287 0.004 0.000 0.941 16 K CB -0.765 31.733 32.500 -0.005 0.000 0.719 16 K HN 0.164 nan 8.250 nan 0.000 0.440 17 E N 1.794 122.009 120.200 0.025 0.000 2.110 17 E HA -0.151 4.177 4.350 -0.037 0.000 0.193 17 E C 2.159 178.788 176.600 0.048 0.000 0.988 17 E CA 1.045 57.454 56.400 0.015 0.000 0.804 17 E CB -0.111 29.594 29.700 0.009 0.000 0.745 17 E HN 0.407 nan 8.360 nan 0.000 0.458 18 Q N 0.242 120.080 119.800 0.063 0.000 2.096 18 Q HA -0.131 4.187 4.340 -0.037 0.000 0.204 18 Q C 2.158 178.200 176.000 0.070 0.000 0.982 18 Q CA 1.712 57.558 55.803 0.072 0.000 0.850 18 Q CB -0.208 28.563 28.738 0.054 0.000 0.901 18 Q HN 0.243 nan 8.270 nan 0.000 0.422 19 A N 1.390 124.240 122.820 0.050 0.000 1.930 19 A HA -0.207 4.091 4.320 -0.037 0.000 0.217 19 A C 2.032 179.652 177.584 0.061 0.000 1.175 19 A CA 1.485 53.552 52.037 0.049 0.000 0.627 19 A CB -0.524 18.496 19.000 0.033 0.000 0.815 19 A HN 0.344 nan 8.150 nan 0.000 0.443 20 R N -0.026 120.504 120.500 0.050 0.000 2.081 20 R HA -0.070 4.248 4.340 -0.037 0.000 0.235 20 R C 1.764 178.127 176.300 0.106 0.000 1.131 20 R CA 2.049 58.178 56.100 0.048 0.000 0.960 20 R CB -0.492 29.807 30.300 -0.002 0.000 0.856 20 R HN 0.464 nan 8.270 nan 0.000 0.436 21 I N 1.064 121.707 120.570 0.121 0.000 2.353 21 I HA -0.200 3.948 4.170 -0.037 0.000 0.248 21 I C 2.609 178.849 176.117 0.206 0.000 1.119 21 I CA 1.322 62.746 61.300 0.206 0.000 1.417 21 I CB -0.278 37.839 38.000 0.195 0.000 1.078 21 I HN 0.325 nan 8.210 nan 0.000 0.421 22 K N 1.072 121.556 120.400 0.140 0.000 2.002 22 K HA -0.184 4.114 4.320 -0.037 0.000 0.209 22 K C 1.963 178.624 176.600 0.101 0.000 1.048 22 K CA 2.220 58.571 56.287 0.106 0.000 0.930 22 K CB -0.276 32.272 32.500 0.080 0.000 0.714 22 K HN 0.122 nan 8.250 nan 0.000 0.438 23 T N 0.714 115.336 114.554 0.112 0.000 2.788 23 T HA -0.134 4.194 4.350 -0.037 0.000 0.268 23 T C 1.372 176.174 174.700 0.170 0.000 1.044 23 T CA 1.295 63.461 62.100 0.110 0.000 1.139 23 T CB -0.390 68.540 68.868 0.103 0.000 0.867 23 T HN 0.339 nan 8.240 nan 0.000 0.454 24 F N 2.313 122.295 119.950 0.053 0.000 2.186 24 F HA 0.030 4.534 4.527 -0.038 0.000 0.299 24 F C 2.224 178.084 175.800 0.100 0.000 1.090 24 F CA 0.969 59.020 58.000 0.085 0.000 1.307 24 F CB -0.274 38.761 39.000 0.060 0.000 1.019 24 F HN -0.075 nan 8.300 nan 0.000 0.489 25 R N -0.124 120.331 120.500 -0.076 0.000 2.189 25 R HA -0.085 4.233 4.340 -0.037 0.000 0.218 25 R C 2.228 178.452 176.300 -0.127 0.000 1.074 25 R CA 1.098 57.071 56.100 -0.211 0.000 0.991 25 R CB -0.311 29.944 30.300 -0.074 0.000 0.883 25 R HN 0.474 nan 8.270 nan 0.000 0.457 26 Q N 0.376 120.147 119.800 -0.048 0.000 2.046 26 Q HA -0.200 4.118 4.340 -0.037 0.000 0.200 26 Q C 1.991 177.939 176.000 -0.087 0.000 0.975 26 Q CA 1.497 57.275 55.803 -0.042 0.000 0.836 26 Q CB 0.053 28.788 28.738 -0.005 0.000 0.896 26 Q HN 0.381 nan 8.270 nan 0.000 0.428 27 Q N -0.842 118.901 119.800 -0.094 0.000 2.083 27 Q HA -0.076 4.242 4.340 -0.037 0.000 0.198 27 Q C 1.051 176.801 176.000 -0.417 0.000 0.969 27 Q CA 0.926 56.601 55.803 -0.214 0.000 0.838 27 Q CB 0.355 29.001 28.738 -0.154 0.000 0.900 27 Q HN 0.381 nan 8.270 nan 0.000 0.436 28 H N -1.868 117.056 119.070 -0.243 0.000 2.674 28 H HA 0.245 4.779 4.556 -0.037 0.000 0.274 28 H C 1.348 176.478 175.328 -0.331 0.000 1.121 28 H CA 0.426 56.297 56.048 -0.294 0.000 1.132 28 H CB 0.730 30.237 29.762 -0.426 0.000 1.606 28 H HN 0.329 nan 8.280 nan 0.000 0.558 29 G N 1.743 110.426 108.800 -0.195 0.000 2.462 29 G HA2 -0.272 3.666 3.960 -0.037 0.000 0.220 29 G HA3 -0.272 3.666 3.960 -0.037 0.000 0.220 29 G C 1.402 176.244 174.900 -0.097 0.000 1.121 29 G CA 0.759 45.762 45.100 -0.162 0.000 0.758 29 G HN 0.449 nan 8.290 nan 0.000 0.559 30 N N 0.173 118.830 118.700 -0.073 0.000 2.270 30 N HA -0.001 4.717 4.740 -0.037 0.000 0.198 30 N C -0.072 175.424 175.510 -0.022 0.000 1.117 30 N CA 0.094 53.117 53.050 -0.045 0.000 0.845 30 N CB -0.082 38.379 38.487 -0.043 0.000 0.980 30 N HN -0.023 nan 8.380 nan 0.000 0.486 31 T N 1.522 116.074 114.554 -0.004 0.000 2.870 31 T HA 0.377 4.705 4.350 -0.037 0.000 0.300 31 T C 0.344 175.050 174.700 0.009 0.000 0.989 31 T CA -0.362 61.761 62.100 0.039 0.000 1.139 31 T CB 1.171 70.125 68.868 0.143 0.000 0.920 31 T HN 0.323 nan 8.240 nan 0.000 0.537 32 A N 2.597 125.423 122.820 0.010 0.000 2.366 32 A HA 0.468 4.766 4.320 -0.037 0.000 0.272 32 A C 1.304 178.888 177.584 0.001 0.000 1.135 32 A CA -0.708 51.330 52.037 0.000 0.000 0.804 32 A CB 0.241 19.240 19.000 -0.000 0.000 1.064 32 A HN 0.931 nan 8.150 nan 0.000 0.499 33 V N 0.451 120.362 119.914 -0.006 0.000 3.643 33 V HA 0.631 4.729 4.120 -0.037 0.000 0.280 33 V C 0.690 176.779 176.094 -0.009 0.000 1.351 33 V CA 0.731 63.027 62.300 -0.006 0.000 1.073 33 V CB -0.693 31.126 31.823 -0.006 0.000 0.863 33 V HN 1.631 nan 8.190 nan 0.000 0.436 34 G N -0.689 108.106 108.800 -0.008 0.000 2.349 34 G HA2 0.477 4.415 3.960 -0.037 0.000 0.294 34 G HA3 0.477 4.415 3.960 -0.037 0.000 0.294 34 G C -2.023 172.872 174.900 -0.007 0.000 1.380 34 G CA -0.700 44.395 45.100 -0.008 0.000 0.811 34 G HN 0.183 nan 8.290 nan 0.000 0.519 35 Q N -0.990 118.806 119.800 -0.005 0.000 2.416 35 Q HA 0.666 4.984 4.340 -0.037 0.000 0.279 35 Q C -0.889 175.109 176.000 -0.003 0.000 1.101 35 Q CA -0.891 54.910 55.803 -0.004 0.000 0.830 35 Q CB 3.006 31.744 28.738 -0.000 0.000 1.402 35 Q HN 0.470 nan 8.270 nan 0.000 0.445 36 I N 1.172 121.740 120.570 -0.002 0.000 2.404 36 I HA 0.330 4.478 4.170 -0.037 0.000 0.293 36 I C 0.134 176.255 176.117 0.005 0.000 0.992 36 I CA -0.397 60.902 61.300 -0.002 0.000 1.149 36 I CB 1.875 39.871 38.000 -0.008 0.000 1.315 36 I HN 0.643 nan 8.210 nan 0.000 0.446 37 T N 1.552 116.113 114.554 0.013 0.000 2.940 37 T HA 0.392 4.720 4.350 -0.037 0.000 0.288 37 T C 1.000 175.725 174.700 0.042 0.000 1.045 37 T CA -0.771 61.344 62.100 0.025 0.000 1.018 37 T CB 1.870 70.755 68.868 0.028 0.000 1.151 37 T HN 0.171 nan 8.240 nan 0.000 0.529 38 V N 1.010 120.964 119.914 0.066 0.000 2.282 38 V HA -0.173 3.925 4.120 -0.037 0.000 0.249 38 V C 2.447 178.659 176.094 0.196 0.000 1.057 38 V CA 2.230 64.607 62.300 0.128 0.000 1.032 38 V CB -0.780 31.134 31.823 0.151 0.000 0.645 38 V HN 0.899 nan 8.190 nan 0.000 0.447 39 D N -0.531 119.952 120.400 0.138 0.000 2.178 39 D HA -0.140 4.478 4.640 -0.037 0.000 0.201 39 D C 2.149 178.513 176.300 0.107 0.000 0.980 39 D CA 1.317 55.395 54.000 0.129 0.000 0.842 39 D CB -0.194 40.646 40.800 0.065 0.000 0.948 39 D HN 0.419 nan 8.370 nan 0.000 0.472 40 M N -0.278 119.361 119.600 0.064 0.000 2.254 40 M HA -0.072 4.386 4.480 -0.037 0.000 0.265 40 M C 2.226 178.540 176.300 0.023 0.000 1.066 40 M CA 0.750 56.072 55.300 0.036 0.000 1.123 40 M CB 0.058 32.667 32.600 0.014 0.000 1.388 40 M HN -0.170 nan 8.290 nan 0.000 0.425 41 S N -0.574 115.128 115.700 0.003 0.000 2.387 41 S HA -0.085 4.364 4.470 -0.037 0.000 0.226 41 S C 1.616 176.144 174.600 -0.119 0.000 1.026 41 S CA 1.058 59.206 58.200 -0.086 0.000 0.972 41 S CB -0.258 62.841 63.200 -0.168 0.000 0.814 41 S HN 0.405 nan 8.310 nan 0.000 0.477 42 Y N 1.176 121.475 120.300 -0.002 0.000 2.475 42 Y HA 0.188 4.717 4.550 -0.035 0.000 0.289 42 Y C 2.203 178.100 175.900 -0.005 0.000 1.121 42 Y CA 0.379 58.478 58.100 -0.003 0.000 1.257 42 Y CB -0.268 38.190 38.460 -0.003 0.000 1.026 42 Y HN 0.307 nan 8.280 nan 0.000 0.555 43 G N -0.998 107.884 108.800 0.138 0.000 3.440 43 G HA2 0.344 4.282 3.960 -0.037 0.000 0.263 43 G HA3 0.344 4.282 3.960 -0.037 0.000 0.263 43 G C 1.110 176.031 174.900 0.034 0.000 1.236 43 G CA 0.111 45.256 45.100 0.075 0.000 0.927 43 G HN 0.458 nan 8.290 nan 0.000 0.530 44 G N 0.578 109.392 108.800 0.023 0.000 2.249 44 G HA2 -0.310 3.628 3.960 -0.037 0.000 0.273 44 G HA3 -0.310 3.628 3.960 -0.037 0.000 0.273 44 G C 0.880 175.782 174.900 0.002 0.000 1.036 44 G CA 0.317 45.421 45.100 0.006 0.000 0.824 44 G HN 0.975 nan 8.290 nan 0.000 0.504 45 M N -2.883 116.718 119.600 0.001 0.000 2.682 45 M HA -0.204 4.254 4.480 -0.037 0.000 0.196 45 M C 0.968 177.262 176.300 -0.010 0.000 0.542 45 M CA 1.453 56.750 55.300 -0.005 0.000 0.593 45 M CB -0.838 31.758 32.600 -0.006 0.000 2.183 45 M HN 0.492 nan 8.290 nan 0.000 0.663 46 R N 1.151 121.649 120.500 -0.002 0.000 2.502 46 R HA 0.296 4.614 4.340 -0.037 0.000 0.292 46 R C 1.333 177.630 176.300 -0.005 0.000 0.998 46 R CA 1.995 58.092 56.100 -0.005 0.000 1.056 46 R CB 0.095 30.395 30.300 0.001 0.000 0.939 46 R HN 0.519 nan 8.270 nan 0.000 0.411 47 G N 3.255 112.049 108.800 -0.012 0.000 2.199 47 G HA2 -0.299 3.639 3.960 -0.037 0.000 0.254 47 G HA3 -0.299 3.639 3.960 -0.037 0.000 0.254 47 G C 0.081 174.969 174.900 -0.019 0.000 0.982 47 G CA 0.278 45.371 45.100 -0.011 0.000 0.632 47 G HN 0.527 nan 8.290 nan 0.000 0.529 48 M N 0.618 120.203 119.600 -0.025 0.000 2.180 48 M HA 0.347 4.805 4.480 -0.037 0.000 0.358 48 M C 0.397 176.670 176.300 -0.046 0.000 1.233 48 M CA 0.008 55.290 55.300 -0.030 0.000 1.114 48 M CB 1.077 33.660 32.600 -0.028 0.000 1.594 48 M HN -0.002 nan 8.290 nan 0.000 0.467 49 K N 1.924 122.299 120.400 -0.042 0.000 2.262 49 K HA 0.240 4.538 4.320 -0.037 0.000 0.288 49 K C 0.797 177.362 176.600 -0.059 0.000 1.090 49 K CA -0.142 56.114 56.287 -0.051 0.000 0.918 49 K CB 0.452 32.929 32.500 -0.038 0.000 1.139 49 K HN 0.955 nan 8.250 nan 0.000 0.462 50 G N 3.405 112.153 108.800 -0.087 0.000 3.104 50 G HA2 0.201 4.139 3.960 -0.037 0.000 0.237 50 G HA3 0.201 4.139 3.960 -0.037 0.000 0.237 50 G C -0.056 174.778 174.900 -0.111 0.000 1.035 50 G CA -0.100 44.945 45.100 -0.091 0.000 0.844 50 G HN 0.374 nan 8.290 nan 0.000 0.531 51 L N 0.766 121.909 121.223 -0.133 0.000 2.415 51 L HA 0.535 4.853 4.340 -0.037 0.000 0.256 51 L C -1.149 175.670 176.870 -0.086 0.000 1.010 51 L CA -1.129 53.626 54.840 -0.140 0.000 0.826 51 L CB 2.578 44.483 42.059 -0.257 0.000 1.405 51 L HN -0.181 nan 8.230 nan 0.000 0.410 52 I N 1.708 122.238 120.570 -0.067 0.000 2.336 52 I HA 0.329 4.477 4.170 -0.037 0.000 0.292 52 I C -1.219 175.013 176.117 0.191 0.000 0.991 52 I CA -0.258 61.054 61.300 0.021 0.000 1.227 52 I CB 1.296 39.258 38.000 -0.063 0.000 1.366 52 I HN 0.477 nan 8.210 nan 0.000 0.466 53 Y N 5.891 126.212 120.300 0.035 0.000 2.330 53 Y HA 0.259 4.785 4.550 -0.041 0.000 0.324 53 Y C 0.819 176.741 175.900 0.037 0.000 1.093 53 Y CA -0.459 57.679 58.100 0.063 0.000 1.103 53 Y CB 1.500 39.935 38.460 -0.042 0.000 1.183 53 Y HN 0.574 nan 8.280 nan 0.000 0.433 54 E N 1.246 121.358 120.200 -0.147 0.000 2.170 54 E HA -0.084 4.245 4.350 -0.037 0.000 0.191 54 E C 1.776 178.279 176.600 -0.161 0.000 0.981 54 E CA 1.476 57.767 56.400 -0.181 0.000 0.830 54 E CB 0.047 29.538 29.700 -0.349 0.000 0.775 54 E HN 0.869 nan 8.360 nan 0.000 0.470 55 T N -0.422 114.023 114.554 -0.182 0.000 2.788 55 T HA -0.076 4.252 4.350 -0.037 0.000 0.268 55 T C 1.277 176.074 174.700 0.163 0.000 1.044 55 T CA 1.003 63.090 62.100 -0.022 0.000 1.139 55 T CB -0.086 68.768 68.868 -0.024 0.000 0.867 55 T HN 0.126 nan 8.240 nan 0.000 0.454 56 S N -0.993 114.852 115.700 0.242 0.000 2.596 56 S HA 0.686 5.134 4.470 -0.037 0.000 0.270 56 S C -1.531 173.133 174.600 0.107 0.000 1.155 56 S CA -0.992 57.325 58.200 0.195 0.000 0.827 56 S CB 2.272 65.639 63.200 0.279 0.000 1.130 56 S HN 0.228 nan 8.310 nan 0.000 0.467 57 V N 1.539 121.436 119.914 -0.029 0.000 2.733 57 V HA 0.612 4.710 4.120 -0.037 0.000 0.306 57 V C -1.244 174.746 176.094 -0.173 0.000 1.084 57 V CA -0.617 61.635 62.300 -0.080 0.000 0.905 57 V CB 1.623 33.400 31.823 -0.076 0.000 1.010 57 V HN 0.954 nan 8.190 nan 0.000 0.424 58 L N 3.545 124.646 121.223 -0.202 0.000 2.307 58 L HA 0.726 5.044 4.340 -0.037 0.000 0.284 58 L C -0.463 176.300 176.870 -0.178 0.000 1.023 58 L CA 0.228 54.907 54.840 -0.268 0.000 0.810 58 L CB 1.559 43.377 42.059 -0.403 0.000 1.231 58 L HN 0.794 nan 8.230 nan 0.000 0.423 59 D N 5.550 125.852 120.400 -0.163 0.000 2.198 59 D HA 0.437 5.055 4.640 -0.037 0.000 0.245 59 D C -1.894 174.344 176.300 -0.104 0.000 1.079 59 D CA -1.937 51.993 54.000 -0.116 0.000 0.854 59 D CB 1.906 42.641 40.800 -0.108 0.000 1.148 59 D HN 0.364 nan 8.370 nan 0.000 0.456 60 P HA -0.091 nan 4.420 nan 0.000 0.219 60 P C 0.177 177.448 177.300 -0.048 0.000 1.146 60 P CA 1.046 64.118 63.100 -0.045 0.000 0.808 60 P CB 0.324 32.016 31.700 -0.014 0.000 0.779 61 D N -1.050 119.316 120.400 -0.056 0.000 2.323 61 D HA -0.017 4.601 4.640 -0.037 0.000 0.218 61 D C 1.680 177.930 176.300 -0.084 0.000 0.973 61 D CA 0.691 54.653 54.000 -0.062 0.000 0.890 61 D CB -0.081 40.688 40.800 -0.051 0.000 1.011 61 D HN 0.225 nan 8.370 nan 0.000 0.499 62 E N 0.269 120.417 120.200 -0.086 0.000 2.400 62 E HA 0.263 4.591 4.350 -0.037 0.000 0.195 62 E C 0.821 177.357 176.600 -0.106 0.000 1.012 62 E CA 0.318 56.663 56.400 -0.091 0.000 0.875 62 E CB 0.737 30.388 29.700 -0.082 0.000 0.859 62 E HN 0.249 nan 8.360 nan 0.000 0.498 63 G N 0.813 109.539 108.800 -0.124 0.000 2.627 63 G HA2 -0.281 3.657 3.960 -0.037 0.000 0.214 63 G HA3 -0.281 3.657 3.960 -0.037 0.000 0.214 63 G C -0.507 174.274 174.900 -0.198 0.000 1.331 63 G CA -0.439 44.575 45.100 -0.143 0.000 0.891 63 G HN 0.167 nan 8.290 nan 0.000 0.539 64 I N 0.880 121.311 120.570 -0.232 0.000 2.634 64 I HA 0.538 4.686 4.170 -0.037 0.000 0.284 64 I C 0.888 176.749 176.117 -0.426 0.000 1.124 64 I CA 0.096 61.170 61.300 -0.378 0.000 1.417 64 I CB 0.416 38.165 38.000 -0.418 0.000 1.396 64 I HN 0.546 nan 8.210 nan 0.000 0.571 65 R N 6.460 126.713 120.500 -0.411 0.000 2.513 65 R HA 0.393 4.711 4.340 -0.037 0.000 0.301 65 R C -1.605 174.542 176.300 -0.254 0.000 0.968 65 R CA -0.642 55.278 56.100 -0.301 0.000 0.872 65 R CB 1.274 31.476 30.300 -0.163 0.000 1.177 65 R HN 0.362 nan 8.270 nan 0.000 0.444 66 F N 3.274 123.287 119.950 0.105 0.000 2.350 66 F HA 0.322 4.825 4.527 -0.040 0.000 0.365 66 F C 0.748 176.643 175.800 0.158 0.000 1.122 66 F CA -0.863 57.219 58.000 0.136 0.000 1.139 66 F CB 0.839 39.944 39.000 0.175 0.000 1.220 66 F HN 0.386 nan 8.300 nan 0.000 0.499 67 R N 1.930 122.565 120.500 0.224 0.000 3.516 67 R HA -0.228 4.090 4.340 -0.037 0.000 0.271 67 R C 1.173 177.440 176.300 -0.054 0.000 1.098 67 R CA 0.786 56.947 56.100 0.102 0.000 0.732 67 R CB -2.052 28.353 30.300 0.175 0.000 1.152 67 R HN 1.162 nan 8.270 nan 0.000 0.455 68 G N -1.737 106.993 108.800 -0.117 0.000 2.195 68 G HA2 -0.333 3.605 3.960 -0.037 0.000 0.246 68 G HA3 -0.333 3.605 3.960 -0.037 0.000 0.246 68 G C 0.011 174.662 174.900 -0.415 0.000 0.984 68 G CA 0.245 45.148 45.100 -0.327 0.000 0.633 68 G HN 0.275 nan 8.290 nan 0.000 0.525 69 F N 2.298 122.276 119.950 0.048 0.000 2.443 69 F HA 0.666 5.170 4.527 -0.038 0.000 0.335 69 F C 1.025 176.850 175.800 0.041 0.000 1.104 69 F CA -0.347 57.688 58.000 0.060 0.000 1.013 69 F CB 1.849 40.916 39.000 0.112 0.000 1.136 69 F HN 0.240 nan 8.300 nan 0.000 0.470 70 S N 2.533 118.349 115.700 0.193 0.000 2.645 70 S HA 0.389 4.837 4.470 -0.037 0.000 0.266 70 S C 1.253 175.947 174.600 0.157 0.000 1.258 70 S CA -0.724 57.523 58.200 0.077 0.000 0.990 70 S CB 0.738 63.957 63.200 0.031 0.000 0.967 70 S HN 0.633 nan 8.310 nan 0.000 0.556 71 I N 1.266 121.896 120.570 0.100 0.000 2.118 71 I HA -0.117 4.031 4.170 -0.037 0.000 0.241 71 I C -0.726 175.460 176.117 0.116 0.000 1.070 71 I CA 1.368 62.762 61.300 0.157 0.000 1.327 71 I CB -1.700 36.361 38.000 0.102 0.000 1.034 71 I HN 0.510 nan 8.210 nan 0.000 0.405 72 P HA -0.179 nan 4.420 nan 0.000 0.216 72 P C 1.302 178.642 177.300 0.067 0.000 1.150 72 P CA 1.557 64.690 63.100 0.056 0.000 0.843 72 P CB -0.058 31.663 31.700 0.036 0.000 0.787 73 E N -1.179 119.082 120.200 0.101 0.000 2.072 73 E HA -0.148 4.180 4.350 -0.037 0.000 0.191 73 E C 2.084 178.715 176.600 0.052 0.000 0.985 73 E CA 1.182 57.650 56.400 0.114 0.000 0.801 73 E CB -0.721 29.128 29.700 0.249 0.000 0.750 73 E HN 0.217 nan 8.360 nan 0.000 0.452 74 C N 0.815 120.169 119.300 0.091 0.000 2.413 74 C HA -0.158 4.280 4.460 -0.037 0.000 0.276 74 C C 2.733 177.728 174.990 0.009 0.000 1.248 74 C CA 0.791 59.826 59.018 0.029 0.000 1.742 74 C CB -0.804 27.013 27.740 0.129 0.000 2.017 74 C HN 0.473 nan 8.230 nan 0.000 0.481 75 Q N 0.817 120.641 119.800 0.040 0.000 2.112 75 Q HA -0.270 4.048 4.340 -0.037 0.000 0.206 75 Q C 2.228 178.234 176.000 0.010 0.000 0.987 75 Q CA 2.257 58.077 55.803 0.030 0.000 0.858 75 Q CB -0.086 28.676 28.738 0.040 0.000 0.905 75 Q HN 0.767 nan 8.270 nan 0.000 0.420 76 K N -0.326 120.077 120.400 0.006 0.000 2.076 76 K HA -0.085 4.213 4.320 -0.037 0.000 0.204 76 K C 1.657 178.239 176.600 -0.030 0.000 1.051 76 K CA 1.104 57.388 56.287 -0.005 0.000 0.949 76 K CB -0.036 32.469 32.500 0.008 0.000 0.726 76 K HN 0.184 nan 8.250 nan 0.000 0.443 77 L N 1.034 122.218 121.223 -0.065 0.000 2.209 77 L HA 0.161 4.479 4.340 -0.037 0.000 0.207 77 L C 0.721 177.523 176.870 -0.114 0.000 1.094 77 L CA -0.099 54.674 54.840 -0.112 0.000 0.790 77 L CB -0.202 41.723 42.059 -0.223 0.000 0.932 77 L HN 0.095 nan 8.230 nan 0.000 0.447 78 L N 0.750 121.915 121.223 -0.097 0.000 2.439 78 L HA 0.201 4.519 4.340 -0.037 0.000 0.269 78 L C -2.033 174.805 176.870 -0.054 0.000 1.179 78 L CA -2.014 52.778 54.840 -0.080 0.000 0.828 78 L CB -0.206 41.819 42.059 -0.057 0.000 1.106 78 L HN -0.237 nan 8.230 nan 0.000 0.467 79 P HA 0.083 nan 4.420 nan 0.000 0.265 79 P C -0.948 176.340 177.300 -0.021 0.000 1.193 79 P CA 0.182 63.254 63.100 -0.048 0.000 0.765 79 P CB 0.585 32.244 31.700 -0.068 0.000 0.823 80 K N 1.358 121.751 120.400 -0.012 0.000 2.280 80 K HA 0.728 5.026 4.320 -0.037 0.000 0.234 80 K C -0.025 176.580 176.600 0.009 0.000 1.028 80 K CA -0.911 55.379 56.287 0.004 0.000 0.882 80 K CB 1.173 33.676 32.500 0.005 0.000 1.194 80 K HN 0.404 nan 8.250 nan 0.000 0.458 81 A N 0.218 123.049 122.820 0.019 0.000 2.366 81 A HA 0.440 4.738 4.320 -0.037 0.000 0.249 81 A C 0.274 177.870 177.584 0.020 0.000 1.084 81 A CA 0.002 52.056 52.037 0.027 0.000 0.794 81 A CB -0.063 18.958 19.000 0.035 0.000 1.034 81 A HN 0.720 nan 8.150 nan 0.000 0.491 82 G N -0.708 108.107 108.800 0.025 0.000 2.298 82 G HA2 0.503 4.441 3.960 -0.037 0.000 0.263 82 G HA3 0.503 4.441 3.960 -0.037 0.000 0.263 82 G C 1.148 176.060 174.900 0.020 0.000 1.229 82 G CA 0.583 45.694 45.100 0.019 0.000 0.976 82 G HN 2.282 nan 8.290 nan 0.000 0.459 83 G N 1.263 110.071 108.800 0.014 0.000 2.176 83 G HA2 0.009 3.947 3.960 -0.037 0.000 0.253 83 G HA3 0.009 3.947 3.960 -0.037 0.000 0.253 83 G C 0.829 175.736 174.900 0.012 0.000 0.979 83 G CA 0.483 45.591 45.100 0.013 0.000 0.641 83 G HN 1.499 nan 8.290 nan 0.000 0.530 84 G N -1.159 107.648 108.800 0.012 0.000 2.528 84 G HA2 0.609 4.547 3.960 -0.037 0.000 0.289 84 G HA3 0.609 4.547 3.960 -0.037 0.000 0.289 84 G C 0.415 175.326 174.900 0.018 0.000 1.192 84 G CA 0.423 45.531 45.100 0.012 0.000 0.921 84 G HN 0.238 nan 8.290 nan 0.000 0.512 85 E N -0.993 119.223 120.200 0.027 0.000 2.391 85 E HA 0.031 4.359 4.350 -0.037 0.000 0.206 85 E C -0.040 176.587 176.600 0.045 0.000 0.851 85 E CA -0.039 56.383 56.400 0.037 0.000 1.059 85 E CB 0.503 30.237 29.700 0.056 0.000 1.065 85 E HN 0.463 nan 8.360 nan 0.000 0.512 86 E N 2.531 122.761 120.200 0.050 0.000 2.301 86 E HA 0.219 4.547 4.350 -0.037 0.000 0.275 86 E C -2.371 174.250 176.600 0.035 0.000 1.030 86 E CA -2.436 53.995 56.400 0.052 0.000 0.852 86 E CB 0.572 30.306 29.700 0.057 0.000 1.060 86 E HN 0.035 nan 8.360 nan 0.000 0.401 87 P HA 0.085 nan 4.420 nan 0.000 0.269 87 P C -0.187 177.142 177.300 0.049 0.000 1.209 87 P CA -0.007 63.111 63.100 0.030 0.000 0.776 87 P CB 0.584 32.297 31.700 0.023 0.000 0.876 88 L N 5.376 126.630 121.223 0.051 0.000 2.305 88 L HA 0.203 4.521 4.340 -0.037 0.000 0.281 88 L C -0.910 176.033 176.870 0.122 0.000 1.085 88 L CA -1.856 53.039 54.840 0.091 0.000 0.813 88 L CB 0.987 43.090 42.059 0.073 0.000 1.157 88 L HN 0.274 nan 8.230 nan 0.000 0.436 89 P HA -0.150 nan 4.420 nan 0.000 0.221 89 P C 0.864 178.288 177.300 0.207 0.000 1.145 89 P CA 1.003 64.239 63.100 0.228 0.000 0.795 89 P CB 0.387 32.316 31.700 0.382 0.000 0.775 90 E N 0.065 120.349 120.200 0.139 0.000 2.118 90 E HA -0.114 4.214 4.350 -0.037 0.000 0.195 90 E C 2.362 179.022 176.600 0.100 0.000 0.992 90 E CA 1.728 58.101 56.400 -0.045 0.000 0.804 90 E CB -1.319 28.251 29.700 -0.217 0.000 0.741 90 E HN 0.295 nan 8.360 nan 0.000 0.458 91 G N 0.446 109.293 108.800 0.079 0.000 2.408 91 G HA2 -0.213 3.725 3.960 -0.037 0.000 0.217 91 G HA3 -0.213 3.725 3.960 -0.037 0.000 0.217 91 G C 1.521 176.502 174.900 0.134 0.000 1.150 91 G CA 0.602 45.751 45.100 0.081 0.000 0.776 91 G HN 0.231 nan 8.290 nan 0.000 0.542 92 L N -0.393 120.892 121.223 0.102 0.000 2.093 92 L HA 0.143 4.461 4.340 -0.037 0.000 0.208 92 L C 2.407 179.356 176.870 0.132 0.000 1.085 92 L CA 1.502 56.367 54.840 0.042 0.000 0.755 92 L CB -0.500 41.530 42.059 -0.048 0.000 0.904 92 L HN 0.201 nan 8.230 nan 0.000 0.435 93 F N -0.880 119.130 119.950 0.099 0.000 2.134 93 F HA -0.269 4.233 4.527 -0.041 0.000 0.299 93 F C 2.253 178.164 175.800 0.184 0.000 1.097 93 F CA 1.961 60.048 58.000 0.146 0.000 1.264 93 F CB -0.621 38.525 39.000 0.244 0.000 1.001 93 F HN 0.325 nan 8.300 nan 0.000 0.479 94 W N 0.950 122.284 121.300 0.056 0.000 2.335 94 W HA -0.271 4.368 4.660 -0.035 0.000 0.311 94 W C 2.181 178.656 176.519 -0.073 0.000 1.213 94 W CA 1.934 59.263 57.345 -0.027 0.000 1.274 94 W CB -0.882 28.598 29.460 0.033 0.000 1.148 94 W HN 0.233 nan 8.180 nan 0.000 0.498 95 L N 1.170 122.544 121.223 0.251 0.000 2.046 95 L HA -0.194 4.124 4.340 -0.037 0.000 0.208 95 L C 2.465 179.366 176.870 0.052 0.000 1.077 95 L CA 1.972 56.912 54.840 0.166 0.000 0.747 95 L CB -1.141 40.992 42.059 0.124 0.000 0.896 95 L HN -0.053 nan 8.230 nan 0.000 0.432 96 L N -1.672 119.539 121.223 -0.020 0.000 2.046 96 L HA -0.181 4.137 4.340 -0.037 0.000 0.208 96 L C 2.469 179.278 176.870 -0.100 0.000 1.077 96 L CA 1.021 55.836 54.840 -0.040 0.000 0.747 96 L CB -0.672 41.356 42.059 -0.052 0.000 0.896 96 L HN 0.134 nan 8.230 nan 0.000 0.432 97 V N -0.244 119.521 119.914 -0.248 0.000 2.379 97 V HA -0.215 3.883 4.120 -0.037 0.000 0.245 97 V C 2.598 178.713 176.094 0.034 0.000 1.044 97 V CA 2.325 64.537 62.300 -0.148 0.000 1.036 97 V CB -0.387 31.132 31.823 -0.506 0.000 0.664 97 V HN 0.680 nan 8.190 nan 0.000 0.453 98 T N -3.795 110.648 114.554 -0.185 0.000 3.037 98 T HA 0.293 4.621 4.350 -0.037 0.000 0.252 98 T C 1.591 176.269 174.700 -0.037 0.000 1.073 98 T CA 1.092 63.114 62.100 -0.130 0.000 1.091 98 T CB 0.813 69.484 68.868 -0.327 0.000 0.935 98 T HN 0.918 nan 8.240 nan 0.000 0.488 99 G N 1.012 109.807 108.800 -0.007 0.000 2.179 99 G HA2 -0.222 3.716 3.960 -0.037 0.000 0.260 99 G HA3 -0.222 3.716 3.960 -0.037 0.000 0.260 99 G C -0.192 174.794 174.900 0.144 0.000 0.977 99 G CA 0.228 45.351 45.100 0.038 0.000 0.641 99 G HN 0.724 nan 8.290 nan 0.000 0.533 100 Q N -0.228 119.674 119.800 0.171 0.000 2.345 100 Q HA 0.668 4.986 4.340 -0.037 0.000 0.268 100 Q C 0.321 176.482 176.000 0.268 0.000 1.054 100 Q CA -1.076 54.864 55.803 0.228 0.000 0.835 100 Q CB 2.030 30.909 28.738 0.235 0.000 1.339 100 Q HN 0.256 nan 8.270 nan 0.000 0.447 101 I N 4.193 124.844 120.570 0.135 0.000 2.533 101 I HA 0.119 4.267 4.170 -0.037 0.000 0.284 101 I C -1.849 174.255 176.117 -0.022 0.000 1.109 101 I CA -1.327 59.972 61.300 -0.000 0.000 1.412 101 I CB 0.145 38.067 38.000 -0.131 0.000 1.396 101 I HN 0.398 nan 8.210 nan 0.000 0.543 102 P HA 0.240 nan 4.420 nan 0.000 0.280 102 P C -0.410 176.692 177.300 -0.332 0.000 1.272 102 P CA -0.327 62.496 63.100 -0.462 0.000 0.819 102 P CB 0.889 32.115 31.700 -0.791 0.000 1.122 103 T N -3.029 111.292 114.554 -0.388 0.000 2.847 103 T HA 0.321 4.649 4.350 -0.037 0.000 0.279 103 T C -1.876 172.678 174.700 -0.243 0.000 0.984 103 T CA -1.742 60.208 62.100 -0.250 0.000 0.988 103 T CB 0.131 68.874 68.868 -0.209 0.000 1.040 103 T HN 0.161 nan 8.240 nan 0.000 0.528 104 P HA 0.063 nan 4.420 nan 0.000 0.221 104 P C 1.076 178.301 177.300 -0.125 0.000 1.150 104 P CA 0.730 63.755 63.100 -0.125 0.000 0.800 104 P CB 0.083 31.735 31.700 -0.080 0.000 0.787 105 E N -0.261 119.858 120.200 -0.135 0.000 2.106 105 E HA -0.152 4.176 4.350 -0.037 0.000 0.192 105 E C 2.175 178.689 176.600 -0.142 0.000 0.984 105 E CA 1.104 57.439 56.400 -0.108 0.000 0.806 105 E CB -0.646 28.993 29.700 -0.100 0.000 0.750 105 E HN 0.327 nan 8.360 nan 0.000 0.458 106 Q N -0.250 119.367 119.800 -0.305 0.000 2.119 106 Q HA -0.096 4.222 4.340 -0.037 0.000 0.201 106 Q C 2.129 177.942 176.000 -0.313 0.000 0.972 106 Q CA 1.089 56.588 55.803 -0.507 0.000 0.847 106 Q CB 0.091 28.142 28.738 -1.146 0.000 0.903 106 Q HN 0.148 nan 8.270 nan 0.000 0.433 107 V N 0.750 120.503 119.914 -0.267 0.000 2.307 107 V HA -0.263 3.835 4.120 -0.037 0.000 0.245 107 V C 2.277 178.319 176.094 -0.087 0.000 1.045 107 V CA 2.020 64.228 62.300 -0.153 0.000 1.024 107 V CB -0.670 31.073 31.823 -0.133 0.000 0.651 107 V HN 0.477 nan 8.190 nan 0.000 0.449 108 S N -1.161 114.505 115.700 -0.056 0.000 2.419 108 S HA -0.277 4.171 4.470 -0.037 0.000 0.233 108 S C 1.621 176.221 174.600 -0.001 0.000 1.016 108 S CA 1.445 59.627 58.200 -0.030 0.000 0.974 108 S CB -0.813 62.379 63.200 -0.014 0.000 0.786 108 S HN 0.774 nan 8.310 nan 0.000 0.492 109 W N 2.458 123.676 121.300 -0.138 0.000 2.418 109 W HA 0.010 4.648 4.660 -0.038 0.000 0.292 109 W C 1.834 178.261 176.519 -0.153 0.000 1.213 109 W CA 0.906 58.191 57.345 -0.099 0.000 1.283 109 W CB -0.339 29.090 29.460 -0.053 0.000 1.119 109 W HN 0.089 nan 8.180 nan 0.000 0.542 110 V N 0.691 120.558 119.914 -0.078 0.000 2.343 110 V HA -0.345 3.753 4.120 -0.037 0.000 0.247 110 V C 2.380 177.948 176.094 -0.877 0.000 1.051 110 V CA 2.316 64.246 62.300 -0.616 0.000 1.036 110 V CB -1.376 30.153 31.823 -0.489 0.000 0.654 110 V HN 0.183 nan 8.190 nan 0.000 0.451 111 S N -0.435 114.973 115.700 -0.487 0.000 2.370 111 S HA -0.258 4.190 4.470 -0.037 0.000 0.226 111 S C 2.022 176.494 174.600 -0.213 0.000 1.033 111 S CA 1.790 59.825 58.200 -0.274 0.000 1.011 111 S CB -0.297 62.846 63.200 -0.094 0.000 0.852 111 S HN 0.558 nan 8.310 nan 0.000 0.457 112 K N 0.815 121.057 120.400 -0.263 0.000 2.057 112 K HA -0.056 4.242 4.320 -0.037 0.000 0.206 112 K C 2.282 178.704 176.600 -0.297 0.000 1.050 112 K CA 1.087 57.241 56.287 -0.221 0.000 0.935 112 K CB -0.126 32.254 32.500 -0.200 0.000 0.715 112 K HN 0.096 nan 8.250 nan 0.000 0.439 113 E N -0.113 119.737 120.200 -0.584 0.000 2.058 113 E HA -0.187 4.141 4.350 -0.037 0.000 0.194 113 E C 1.499 177.981 176.600 -0.196 0.000 0.997 113 E CA 1.415 57.479 56.400 -0.561 0.000 0.801 113 E CB -0.121 28.937 29.700 -1.071 0.000 0.746 113 E HN 0.321 nan 8.360 nan 0.000 0.450 114 W N 0.229 121.335 121.300 -0.323 0.000 2.402 114 W HA 0.103 4.745 4.660 -0.030 0.000 0.286 114 W C 2.256 178.724 176.519 -0.084 0.000 1.221 114 W CA 0.891 58.103 57.345 -0.222 0.000 1.257 114 W CB -1.248 28.033 29.460 -0.298 0.000 1.120 114 W HN 0.203 nan 8.180 nan 0.000 0.551 115 A N 0.870 123.764 122.820 0.123 0.000 1.929 115 A HA -0.177 4.121 4.320 -0.037 0.000 0.216 115 A C 2.037 179.648 177.584 0.045 0.000 1.176 115 A CA 1.640 53.733 52.037 0.093 0.000 0.628 115 A CB -0.553 18.480 19.000 0.055 0.000 0.816 115 A HN 0.322 nan 8.150 nan 0.000 0.444 116 K N -0.351 120.051 120.400 0.002 0.000 2.148 116 K HA -0.081 4.217 4.320 -0.037 0.000 0.204 116 K C 1.687 178.294 176.600 0.013 0.000 1.050 116 K CA 1.291 57.575 56.287 -0.005 0.000 0.942 116 K CB -0.133 32.347 32.500 -0.033 0.000 0.724 116 K HN 0.365 nan 8.250 nan 0.000 0.446 117 R N 0.728 121.243 120.500 0.024 0.000 2.317 117 R HA 0.182 4.500 4.340 -0.037 0.000 0.208 117 R C 0.151 176.467 176.300 0.026 0.000 0.914 117 R CA -0.092 56.023 56.100 0.024 0.000 1.060 117 R CB 0.497 30.807 30.300 0.017 0.000 1.015 117 R HN 0.028 nan 8.270 nan 0.000 0.498 118 A N 1.790 124.631 122.820 0.035 0.000 2.437 118 A HA 0.595 4.893 4.320 -0.037 0.000 0.303 118 A C -0.266 177.332 177.584 0.024 0.000 1.324 118 A CA -0.066 51.989 52.037 0.031 0.000 0.983 118 A CB 0.076 19.106 19.000 0.050 0.000 1.142 118 A HN 0.258 nan 8.150 nan 0.000 0.541 119 A N 3.254 126.086 122.820 0.020 0.000 2.512 119 A HA 0.594 4.892 4.320 -0.037 0.000 0.294 119 A C -1.001 176.590 177.584 0.011 0.000 1.054 119 A CA -0.440 51.606 52.037 0.016 0.000 0.756 119 A CB 0.719 19.731 19.000 0.020 0.000 1.293 119 A HN 0.697 nan 8.150 nan 0.000 0.395 120 L N 3.433 124.656 121.223 -0.000 0.000 2.309 120 L HA 0.571 4.889 4.340 -0.037 0.000 0.282 120 L C -1.888 174.967 176.870 -0.025 0.000 1.036 120 L CA -1.886 52.941 54.840 -0.020 0.000 0.806 120 L CB 1.769 43.810 42.059 -0.031 0.000 1.220 120 L HN 0.558 nan 8.230 nan 0.000 0.429 121 P HA 0.149 nan 4.420 nan 0.000 0.277 121 P C 0.451 177.729 177.300 -0.037 0.000 1.240 121 P CA -0.566 62.537 63.100 0.005 0.000 0.798 121 P CB 1.228 32.982 31.700 0.091 0.000 0.979 122 S N 1.412 117.130 115.700 0.031 0.000 2.399 122 S HA -0.271 4.177 4.470 -0.037 0.000 0.231 122 S C 1.773 176.372 174.600 -0.001 0.000 1.022 122 S CA 1.583 59.788 58.200 0.008 0.000 0.983 122 S CB -1.656 61.559 63.200 0.024 0.000 0.803 122 S HN 0.754 nan 8.310 nan 0.000 0.480 123 H N 0.504 119.548 119.070 -0.043 0.000 2.422 123 H HA 0.086 4.619 4.556 -0.039 0.000 0.298 123 H C 1.756 177.043 175.328 -0.068 0.000 1.098 123 H CA 1.241 57.257 56.048 -0.055 0.000 1.315 123 H CB -0.550 29.182 29.762 -0.050 0.000 1.382 123 H HN 0.261 nan 8.280 nan 0.000 0.523 124 V N 0.789 120.334 119.914 -0.614 0.000 2.379 124 V HA -0.203 3.895 4.120 -0.037 0.000 0.245 124 V C 2.593 178.553 176.094 -0.223 0.000 1.044 124 V CA 1.304 63.342 62.300 -0.437 0.000 1.036 124 V CB -0.276 31.287 31.823 -0.434 0.000 0.664 124 V HN 0.395 nan 8.190 nan 0.000 0.453 125 V N -0.090 119.727 119.914 -0.162 0.000 2.287 125 V HA -0.303 3.795 4.120 -0.037 0.000 0.248 125 V C 2.586 178.614 176.094 -0.110 0.000 1.053 125 V CA 2.718 64.958 62.300 -0.099 0.000 1.027 125 V CB -1.057 30.730 31.823 -0.061 0.000 0.646 125 V HN 0.595 nan 8.190 nan 0.000 0.447 126 T N -0.477 114.013 114.554 -0.107 0.000 2.746 126 T HA -0.259 4.069 4.350 -0.037 0.000 0.267 126 T C 1.849 176.438 174.700 -0.184 0.000 1.039 126 T CA 2.075 64.111 62.100 -0.107 0.000 1.142 126 T CB -0.286 68.541 68.868 -0.068 0.000 0.866 126 T HN 0.368 nan 8.240 nan 0.000 0.444 127 M N 0.405 119.853 119.600 -0.254 0.000 2.080 127 M HA -0.072 4.386 4.480 -0.037 0.000 0.260 127 M C 2.034 177.886 176.300 -0.747 0.000 1.068 127 M CA 1.638 56.651 55.300 -0.478 0.000 1.109 127 M CB -0.296 32.041 32.600 -0.438 0.000 1.342 127 M HN 0.241 nan 8.290 nan 0.000 0.405 128 L N -0.057 120.897 121.223 -0.448 0.000 2.017 128 L HA -0.268 4.050 4.340 -0.037 0.000 0.208 128 L C 1.913 178.720 176.870 -0.104 0.000 1.073 128 L CA 1.361 56.072 54.840 -0.216 0.000 0.745 128 L CB -0.924 41.126 42.059 -0.014 0.000 0.894 128 L HN 0.270 nan 8.230 nan 0.000 0.432 129 D N -0.098 120.236 120.400 -0.111 0.000 2.218 129 D HA -0.155 4.463 4.640 -0.037 0.000 0.204 129 D C 1.556 177.818 176.300 -0.063 0.000 0.976 129 D CA 1.142 55.104 54.000 -0.063 0.000 0.853 129 D CB -0.313 40.453 40.800 -0.057 0.000 0.939 129 D HN 0.445 nan 8.370 nan 0.000 0.481 130 N N -1.029 117.592 118.700 -0.131 0.000 2.280 130 N HA 0.025 4.743 4.740 -0.037 0.000 0.192 130 N C -0.244 175.276 175.510 0.018 0.000 1.109 130 N CA -0.388 52.616 53.050 -0.077 0.000 0.855 130 N CB 0.297 38.723 38.487 -0.102 0.000 0.974 130 N HN -0.044 nan 8.380 nan 0.000 0.482 131 F N 2.542 122.485 119.950 -0.012 0.000 2.518 131 F HA 0.186 4.690 4.527 -0.038 0.000 0.359 131 F C -1.453 174.335 175.800 -0.020 0.000 1.118 131 F CA -2.930 55.063 58.000 -0.010 0.000 1.287 131 F CB -0.040 38.955 39.000 -0.008 0.000 1.132 131 F HN -0.027 nan 8.300 nan 0.000 0.587 132 P HA 0.121 nan 4.420 nan 0.000 0.274 132 P C 0.548 177.863 177.300 0.025 0.000 1.237 132 P CA -0.217 62.928 63.100 0.075 0.000 0.793 132 P CB 0.452 32.183 31.700 0.052 0.000 0.977 133 T N -2.542 112.008 114.554 -0.006 0.000 3.072 133 T HA -0.115 4.213 4.350 -0.037 0.000 0.266 133 T C 1.117 175.794 174.700 -0.039 0.000 1.127 133 T CA 0.765 62.837 62.100 -0.047 0.000 1.107 133 T CB -0.852 67.982 68.868 -0.057 0.000 0.910 133 T HN 0.486 nan 8.240 nan 0.000 0.513 134 N N 0.837 119.526 118.700 -0.018 0.000 2.398 134 N HA 0.050 4.768 4.740 -0.037 0.000 0.188 134 N C 0.294 175.796 175.510 -0.014 0.000 1.122 134 N CA -0.241 52.804 53.050 -0.008 0.000 0.866 134 N CB -0.374 38.116 38.487 0.006 0.000 0.970 134 N HN 0.394 nan 8.380 nan 0.000 0.462 135 L N 2.215 123.409 121.223 -0.049 0.000 2.278 135 L HA 0.236 4.554 4.340 -0.037 0.000 0.287 135 L C 0.040 176.871 176.870 -0.066 0.000 1.072 135 L CA -0.710 54.076 54.840 -0.089 0.000 0.819 135 L CB -0.133 41.790 42.059 -0.227 0.000 1.176 135 L HN 0.198 nan 8.230 nan 0.000 0.435 136 H N 6.912 125.932 119.070 -0.085 0.000 3.092 136 H HA -0.001 4.535 4.556 -0.033 0.000 0.332 136 H C -1.683 173.617 175.328 -0.047 0.000 1.029 136 H CA 0.021 56.044 56.048 -0.041 0.000 1.376 136 H CB 0.847 30.591 29.762 -0.030 0.000 1.329 136 H HN 0.564 nan 8.280 nan 0.000 0.598 137 P HA -0.236 nan 4.420 nan 0.000 0.216 137 P C 1.448 178.818 177.300 0.116 0.000 1.150 137 P CA 1.407 64.504 63.100 -0.005 0.000 0.837 137 P CB 0.180 31.921 31.700 0.067 0.000 0.786 138 M N -1.133 118.669 119.600 0.337 0.000 2.229 138 M HA -0.065 4.393 4.480 -0.037 0.000 0.264 138 M C 1.982 178.316 176.300 0.057 0.000 1.063 138 M CA 1.609 57.004 55.300 0.159 0.000 1.114 138 M CB -1.593 31.071 32.600 0.107 0.000 1.387 138 M HN -0.080 nan 8.290 nan 0.000 0.420 139 S N 0.259 115.988 115.700 0.048 0.000 2.387 139 S HA -0.104 4.344 4.470 -0.037 0.000 0.226 139 S C 1.870 176.388 174.600 -0.136 0.000 1.026 139 S CA 0.877 59.042 58.200 -0.059 0.000 0.972 139 S CB -0.162 62.980 63.200 -0.096 0.000 0.814 139 S HN 0.527 nan 8.310 nan 0.000 0.477 140 Q N 0.406 120.093 119.800 -0.188 0.000 2.124 140 Q HA -0.074 4.244 4.340 -0.037 0.000 0.202 140 Q C 2.279 178.323 176.000 0.072 0.000 0.977 140 Q CA 1.062 56.717 55.803 -0.245 0.000 0.850 140 Q CB -0.371 28.284 28.738 -0.138 0.000 0.901 140 Q HN 0.403 nan 8.270 nan 0.000 0.429 141 L N 0.279 121.548 121.223 0.076 0.000 2.027 141 L HA -0.164 4.154 4.340 -0.037 0.000 0.206 141 L C 2.452 179.387 176.870 0.109 0.000 1.074 141 L CA 1.932 56.842 54.840 0.115 0.000 0.745 141 L CB -0.676 41.439 42.059 0.093 0.000 0.898 141 L HN 0.064 nan 8.230 nan 0.000 0.433 142 S N -0.712 115.020 115.700 0.054 0.000 2.368 142 S HA -0.186 4.263 4.470 -0.037 0.000 0.225 142 S C 2.151 176.806 174.600 0.091 0.000 1.030 142 S CA 1.273 59.499 58.200 0.043 0.000 0.999 142 S CB -0.521 62.669 63.200 -0.015 0.000 0.844 142 S HN 0.655 nan 8.310 nan 0.000 0.459 143 A N 1.218 124.103 122.820 0.108 0.000 1.933 143 A HA 0.200 4.498 4.320 -0.037 0.000 0.218 143 A C 2.450 180.154 177.584 0.201 0.000 1.175 143 A CA 1.850 53.992 52.037 0.174 0.000 0.628 143 A CB -1.311 17.851 19.000 0.269 0.000 0.814 143 A HN 0.767 nan 8.150 nan 0.000 0.444 144 A N -0.154 122.799 122.820 0.222 0.000 1.898 144 A HA -0.045 4.253 4.320 -0.037 0.000 0.216 144 A C 2.087 179.745 177.584 0.123 0.000 1.181 144 A CA 1.469 53.598 52.037 0.153 0.000 0.620 144 A CB -0.559 18.539 19.000 0.163 0.000 0.819 144 A HN 0.488 nan 8.150 nan 0.000 0.442 145 I N -0.674 119.999 120.570 0.172 0.000 2.315 145 I HA -0.196 3.952 4.170 -0.037 0.000 0.248 145 I C 2.565 178.814 176.117 0.220 0.000 1.117 145 I CA 1.575 63.017 61.300 0.237 0.000 1.404 145 I CB -0.452 37.738 38.000 0.317 0.000 1.071 145 I HN 0.230 nan 8.210 nan 0.000 0.419 146 T N 0.677 115.330 114.554 0.165 0.000 2.708 146 T HA -0.157 4.171 4.350 -0.037 0.000 0.266 146 T C 2.036 176.798 174.700 0.103 0.000 1.037 146 T CA 1.542 63.723 62.100 0.135 0.000 1.146 146 T CB -0.300 68.632 68.868 0.107 0.000 0.865 146 T HN 0.471 nan 8.240 nan 0.000 0.435 147 A N 0.860 123.738 122.820 0.097 0.000 2.070 147 A HA 0.054 4.352 4.320 -0.037 0.000 0.220 147 A C 2.132 179.769 177.584 0.089 0.000 1.159 147 A CA 1.017 53.117 52.037 0.104 0.000 0.656 147 A CB -0.770 18.271 19.000 0.069 0.000 0.800 147 A HN 0.510 nan 8.150 nan 0.000 0.453 148 L N -0.093 121.116 121.223 -0.023 0.000 2.552 148 L HA -0.115 4.203 4.340 -0.037 0.000 0.227 148 L C 2.106 178.699 176.870 -0.463 0.000 1.146 148 L CA 0.970 55.691 54.840 -0.199 0.000 0.858 148 L CB -0.561 41.376 42.059 -0.203 0.000 0.969 148 L HN 0.762 nan 8.230 nan 0.000 0.451 149 N N -0.718 117.825 118.700 -0.263 0.000 2.519 149 N HA -0.202 4.516 4.740 -0.037 0.000 0.186 149 N C 1.811 177.226 175.510 -0.159 0.000 1.062 149 N CA 0.956 53.856 53.050 -0.249 0.000 0.910 149 N CB 0.036 38.537 38.487 0.022 0.000 0.958 149 N HN 0.261 nan 8.380 nan 0.000 0.445 150 S N -0.606 115.035 115.700 -0.099 0.000 2.469 150 S HA -0.052 4.396 4.470 -0.037 0.000 0.238 150 S C 1.209 175.761 174.600 -0.081 0.000 0.998 150 S CA 0.581 58.735 58.200 -0.077 0.000 0.957 150 S CB -0.003 63.135 63.200 -0.104 0.000 0.764 150 S HN 0.312 nan 8.310 nan 0.000 0.514 151 E N 1.547 121.662 120.200 -0.142 0.000 2.474 151 E HA 0.260 4.588 4.350 -0.037 0.000 0.195 151 E C 0.368 176.936 176.600 -0.052 0.000 1.039 151 E CA -0.034 56.306 56.400 -0.100 0.000 0.881 151 E CB 0.010 29.623 29.700 -0.145 0.000 0.970 151 E HN 0.465 nan 8.360 nan 0.000 0.486 152 S N 0.995 116.661 115.700 -0.057 0.000 2.544 152 S HA 0.034 4.482 4.470 -0.037 0.000 0.290 152 S C 0.975 175.682 174.600 0.178 0.000 1.276 152 S CA -0.054 58.246 58.200 0.167 0.000 1.075 152 S CB 0.130 63.471 63.200 0.235 0.000 0.849 152 S HN 0.195 nan 8.310 nan 0.000 0.494 153 N N 3.258 122.116 118.700 0.264 0.000 2.333 153 N HA 0.003 4.721 4.740 -0.037 0.000 0.178 153 N C 1.270 176.916 175.510 0.226 0.000 1.018 153 N CA 0.650 53.848 53.050 0.247 0.000 0.882 153 N CB -0.110 38.578 38.487 0.334 0.000 0.984 153 N HN 0.731 nan 8.380 nan 0.000 0.434 154 F N 2.314 122.370 119.950 0.176 0.000 2.163 154 F HA 0.056 4.563 4.527 -0.032 0.000 0.297 154 F C 2.328 178.137 175.800 0.015 0.000 1.094 154 F CA 0.902 58.962 58.000 0.100 0.000 1.290 154 F CB -0.230 38.849 39.000 0.131 0.000 1.017 154 F HN -0.060 nan 8.300 nan 0.000 0.483 155 A N 0.870 123.764 122.820 0.123 0.000 1.908 155 A HA -0.237 4.061 4.320 -0.037 0.000 0.218 155 A C 2.385 179.915 177.584 -0.090 0.000 1.181 155 A CA 1.903 53.947 52.037 0.012 0.000 0.627 155 A CB -0.915 18.142 19.000 0.095 0.000 0.818 155 A HN 0.515 nan 8.150 nan 0.000 0.445 156 R N -0.499 119.953 120.500 -0.080 0.000 2.066 156 R HA -0.037 4.281 4.340 -0.037 0.000 0.232 156 R C 2.306 178.476 176.300 -0.217 0.000 1.131 156 R CA 1.425 57.463 56.100 -0.104 0.000 0.955 156 R CB -0.429 29.841 30.300 -0.049 0.000 0.851 156 R HN 0.405 nan 8.270 nan 0.000 0.432 157 A N 0.071 122.656 122.820 -0.391 0.000 1.902 157 A HA -0.215 4.083 4.320 -0.037 0.000 0.217 157 A C 2.027 179.302 177.584 -0.515 0.000 1.181 157 A CA 1.311 52.979 52.037 -0.615 0.000 0.623 157 A CB -0.904 17.275 19.000 -1.367 0.000 0.818 157 A HN 0.624 nan 8.150 nan 0.000 0.443 158 Y N 0.667 120.575 120.300 -0.654 0.000 2.128 158 Y HA -0.151 4.382 4.550 -0.027 0.000 0.284 158 Y C 2.643 178.379 175.900 -0.273 0.000 1.154 158 Y CA 1.544 59.338 58.100 -0.510 0.000 1.149 158 Y CB -0.481 37.590 38.460 -0.648 0.000 0.976 158 Y HN 0.307 nan 8.280 nan 0.000 0.505 159 A N -0.194 122.588 122.820 -0.063 0.000 2.024 159 A HA -0.219 4.079 4.320 -0.037 0.000 0.220 159 A C 1.955 179.455 177.584 -0.141 0.000 1.164 159 A CA 1.943 53.951 52.037 -0.048 0.000 0.643 159 A CB -0.661 18.329 19.000 -0.017 0.000 0.806 159 A HN 0.603 nan 8.150 nan 0.000 0.451 160 E N -1.794 118.290 120.200 -0.193 0.000 2.435 160 E HA 0.262 4.590 4.350 -0.037 0.000 0.195 160 E C 1.070 177.548 176.600 -0.203 0.000 1.029 160 E CA 0.688 56.983 56.400 -0.174 0.000 0.865 160 E CB -0.025 29.575 29.700 -0.166 0.000 0.833 160 E HN 0.747 nan 8.360 nan 0.000 0.510 161 G N 0.878 109.499 108.800 -0.298 0.000 2.130 161 G HA2 -0.273 3.665 3.960 -0.037 0.000 0.216 161 G HA3 -0.273 3.665 3.960 -0.037 0.000 0.216 161 G C 0.116 174.867 174.900 -0.248 0.000 0.999 161 G CA -0.035 44.888 45.100 -0.296 0.000 0.686 161 G HN 0.222 nan 8.290 nan 0.000 0.515 162 I N 1.239 121.648 120.570 -0.268 0.000 2.815 162 I HA 0.133 4.281 4.170 -0.037 0.000 0.291 162 I C 0.910 176.948 176.117 -0.132 0.000 1.209 162 I CA -0.743 60.449 61.300 -0.179 0.000 1.431 162 I CB 0.430 38.289 38.000 -0.234 0.000 1.351 162 I HN 0.311 nan 8.210 nan 0.000 0.585 163 N N 5.633 124.265 118.700 -0.113 0.000 2.454 163 N HA -0.033 4.685 4.740 -0.037 0.000 0.254 163 N C 1.068 176.395 175.510 -0.305 0.000 1.228 163 N CA 0.074 53.037 53.050 -0.145 0.000 0.900 163 N CB 0.734 39.164 38.487 -0.095 0.000 1.089 163 N HN 0.607 nan 8.380 nan 0.000 0.449 164 R N 0.945 121.154 120.500 -0.484 0.000 2.139 164 R HA -0.164 4.154 4.340 -0.037 0.000 0.243 164 R C 1.722 177.611 176.300 -0.685 0.000 1.145 164 R CA 2.076 57.510 56.100 -1.110 0.000 0.976 164 R CB -1.167 28.770 30.300 -0.606 0.000 0.866 164 R HN 0.660 nan 8.270 nan 0.000 0.449 165 T N -1.095 113.302 114.554 -0.262 0.000 2.929 165 T HA -0.068 4.260 4.350 -0.037 0.000 0.271 165 T C 1.508 176.222 174.700 0.024 0.000 1.085 165 T CA 1.146 63.210 62.100 -0.059 0.000 1.125 165 T CB -0.100 68.769 68.868 0.002 0.000 0.874 165 T HN 0.368 nan 8.240 nan 0.000 0.494 166 K N -0.621 119.759 120.400 -0.033 0.000 2.374 166 K HA 0.169 4.467 4.320 -0.037 0.000 0.196 166 K C 1.126 177.852 176.600 0.211 0.000 1.023 166 K CA -0.253 56.051 56.287 0.029 0.000 1.103 166 K CB 0.040 32.611 32.500 0.118 0.000 0.848 166 K HN 0.303 nan 8.250 nan 0.000 0.528 167 Y N 1.435 121.893 120.300 0.264 0.000 2.114 167 Y HA -0.317 4.215 4.550 -0.031 0.000 0.282 167 Y C 2.196 178.304 175.900 0.347 0.000 1.165 167 Y CA 0.861 59.240 58.100 0.465 0.000 1.148 167 Y CB -1.118 37.639 38.460 0.495 0.000 0.972 167 Y HN 0.377 nan 8.280 nan 0.000 0.504 168 W N 1.501 122.996 121.300 0.326 0.000 2.325 168 W HA -0.222 4.413 4.660 -0.041 0.000 0.299 168 W C 1.250 177.823 176.519 0.090 0.000 1.215 168 W CA 1.637 59.050 57.345 0.113 0.000 1.244 168 W CB -0.973 28.443 29.460 -0.074 0.000 1.140 168 W HN 0.246 nan 8.180 nan 0.000 0.523 169 E N 0.289 119.871 120.200 -1.030 0.000 2.110 169 E HA -0.163 4.165 4.350 -0.037 0.000 0.193 169 E C 1.965 178.201 176.600 -0.607 0.000 0.988 169 E CA 1.753 57.424 56.400 -1.215 0.000 0.804 169 E CB -0.694 28.167 29.700 -1.399 0.000 0.745 169 E HN 0.301 nan 8.360 nan 0.000 0.458 170 F N 0.122 120.069 119.950 -0.006 0.000 2.335 170 F HA -0.081 4.422 4.527 -0.039 0.000 0.296 170 F C 2.246 178.187 175.800 0.234 0.000 1.091 170 F CA 0.313 58.418 58.000 0.176 0.000 1.399 170 F CB -0.283 38.881 39.000 0.274 0.000 1.067 170 F HN -0.149 nan 8.300 nan 0.000 0.520 171 V N -0.404 119.725 119.914 0.358 0.000 2.343 171 V HA -0.329 3.769 4.120 -0.037 0.000 0.247 171 V C 2.164 178.345 176.094 0.144 0.000 1.051 171 V CA 1.929 64.320 62.300 0.151 0.000 1.036 171 V CB -0.838 31.006 31.823 0.035 0.000 0.654 171 V HN 0.443 nan 8.190 nan 0.000 0.451 172 Y N 1.359 121.700 120.300 0.067 0.000 2.165 172 Y HA -0.222 4.306 4.550 -0.036 0.000 0.286 172 Y C 2.534 178.472 175.900 0.064 0.000 1.155 172 Y CA 1.979 60.129 58.100 0.084 0.000 1.164 172 Y CB -0.136 38.397 38.460 0.121 0.000 0.978 172 Y HN 0.278 nan 8.280 nan 0.000 0.513 173 E N 0.243 120.531 120.200 0.146 0.000 2.047 173 E HA -0.187 4.141 4.350 -0.037 0.000 0.191 173 E C 1.841 178.436 176.600 -0.008 0.000 0.987 173 E CA 1.416 57.852 56.400 0.060 0.000 0.799 173 E CB -0.454 29.332 29.700 0.143 0.000 0.752 173 E HN 0.582 nan 8.360 nan 0.000 0.449 174 D N 0.754 121.191 120.400 0.061 0.000 2.178 174 D HA -0.089 4.529 4.640 -0.037 0.000 0.201 174 D C 1.826 177.989 176.300 -0.229 0.000 0.980 174 D CA 1.256 55.259 54.000 0.005 0.000 0.842 174 D CB -0.166 40.674 40.800 0.066 0.000 0.948 174 D HN 0.136 nan 8.370 nan 0.000 0.472 175 A N 0.939 123.631 122.820 -0.213 0.000 1.877 175 A HA -0.172 4.126 4.320 -0.037 0.000 0.216 175 A C 2.174 179.534 177.584 -0.373 0.000 1.186 175 A CA 1.350 53.218 52.037 -0.282 0.000 0.620 175 A CB -0.410 18.504 19.000 -0.143 0.000 0.822 175 A HN 0.097 nan 8.150 nan 0.000 0.443 176 M N -0.244 119.140 119.600 -0.361 0.000 2.159 176 M HA -0.127 4.331 4.480 -0.037 0.000 0.263 176 M C 1.323 177.443 176.300 -0.301 0.000 1.063 176 M CA 1.433 56.536 55.300 -0.329 0.000 1.110 176 M CB -1.394 31.023 32.600 -0.305 0.000 1.374 176 M HN 0.331 nan 8.290 nan 0.000 0.411 177 D N 0.333 120.613 120.400 -0.201 0.000 2.149 177 D HA -0.080 4.538 4.640 -0.037 0.000 0.201 177 D C 1.960 178.163 176.300 -0.161 0.000 0.972 177 D CA 0.667 54.602 54.000 -0.108 0.000 0.835 177 D CB -0.224 40.600 40.800 0.039 0.000 0.966 177 D HN 0.186 nan 8.370 nan 0.000 0.476 178 L N 0.709 121.750 121.223 -0.304 0.000 2.056 178 L HA -0.022 4.296 4.340 -0.037 0.000 0.207 178 L C 1.950 178.565 176.870 -0.424 0.000 1.078 178 L CA 1.345 55.962 54.840 -0.371 0.000 0.749 178 L CB -0.659 40.977 42.059 -0.705 0.000 0.901 178 L HN -0.018 nan 8.230 nan 0.000 0.433 179 I N -0.112 120.086 120.570 -0.621 0.000 2.286 179 I HA -0.289 3.860 4.170 -0.037 0.000 0.248 179 I C 2.558 178.288 176.117 -0.645 0.000 1.115 179 I CA 1.208 62.003 61.300 -0.842 0.000 1.392 179 I CB -0.551 36.519 38.000 -1.550 0.000 1.065 179 I HN 0.378 nan 8.210 nan 0.000 0.418 180 A N 0.643 123.129 122.820 -0.556 0.000 1.930 180 A HA -0.189 4.109 4.320 -0.037 0.000 0.217 180 A C 2.251 179.802 177.584 -0.054 0.000 1.175 180 A CA 1.514 53.431 52.037 -0.201 0.000 0.627 180 A CB -0.316 18.627 19.000 -0.095 0.000 0.815 180 A HN 0.351 nan 8.150 nan 0.000 0.443 181 K N -0.510 119.835 120.400 -0.091 0.000 2.314 181 K HA 0.246 4.544 4.320 -0.037 0.000 0.198 181 K C 1.652 178.210 176.600 -0.070 0.000 1.045 181 K CA 0.242 56.503 56.287 -0.043 0.000 0.988 181 K CB -0.178 32.326 32.500 0.007 0.000 0.783 181 K HN 0.380 nan 8.250 nan 0.000 0.484 182 L N 1.425 122.578 121.223 -0.116 0.000 2.013 182 L HA -0.183 4.135 4.340 -0.037 0.000 0.212 182 L C -0.853 175.858 176.870 -0.266 0.000 1.073 182 L CA 1.655 56.410 54.840 -0.140 0.000 0.753 182 L CB -1.020 40.942 42.059 -0.162 0.000 0.890 182 L HN 0.116 nan 8.230 nan 0.000 0.432 183 P HA -0.085 nan 4.420 nan 0.000 0.220 183 P C 1.541 178.677 177.300 -0.274 0.000 1.148 183 P CA 1.187 63.787 63.100 -0.834 0.000 0.803 183 P CB -0.200 30.830 31.700 -1.117 0.000 0.782 184 C N -1.533 117.693 119.300 -0.124 0.000 2.475 184 C HA -0.000 4.438 4.460 -0.037 0.000 0.279 184 C C 2.807 177.822 174.990 0.041 0.000 1.322 184 C CA 0.257 59.273 59.018 -0.003 0.000 1.734 184 C CB -1.363 26.378 27.740 0.003 0.000 2.005 184 C HN 0.100 nan 8.230 nan 0.000 0.495 185 V N 1.813 121.741 119.914 0.024 0.000 2.270 185 V HA -0.198 3.900 4.120 -0.037 0.000 0.245 185 V C 2.812 178.991 176.094 0.141 0.000 1.043 185 V CA 2.322 64.666 62.300 0.074 0.000 1.014 185 V CB -1.358 30.511 31.823 0.076 0.000 0.645 185 V HN 0.561 nan 8.190 nan 0.000 0.447 186 A N 0.021 122.922 122.820 0.136 0.000 1.908 186 A HA -0.167 4.131 4.320 -0.037 0.000 0.218 186 A C 2.384 180.247 177.584 0.465 0.000 1.181 186 A CA 2.331 54.544 52.037 0.294 0.000 0.627 186 A CB -0.804 18.346 19.000 0.250 0.000 0.818 186 A HN 0.596 nan 8.150 nan 0.000 0.445 187 A N -0.457 122.606 122.820 0.405 0.000 1.968 187 A HA -0.088 4.210 4.320 -0.037 0.000 0.217 187 A C 2.069 179.818 177.584 0.275 0.000 1.169 187 A CA 1.989 54.256 52.037 0.382 0.000 0.638 187 A CB -0.375 18.817 19.000 0.321 0.000 0.812 187 A HN 0.544 nan 8.150 nan 0.000 0.446 188 K N -0.004 120.517 120.400 0.202 0.000 2.097 188 K HA -0.025 4.273 4.320 -0.037 0.000 0.206 188 K C 1.609 178.294 176.600 0.141 0.000 1.049 188 K CA 1.479 57.849 56.287 0.139 0.000 0.933 188 K CB -0.353 32.203 32.500 0.094 0.000 0.717 188 K HN 0.483 nan 8.250 nan 0.000 0.442 189 I N -0.060 120.634 120.570 0.207 0.000 2.315 189 I HA -0.251 3.897 4.170 -0.037 0.000 0.248 189 I C 2.016 178.196 176.117 0.104 0.000 1.117 189 I CA 0.994 62.405 61.300 0.185 0.000 1.404 189 I CB -0.295 37.880 38.000 0.293 0.000 1.071 189 I HN 0.214 nan 8.210 nan 0.000 0.419 190 Y N 1.923 122.264 120.300 0.067 0.000 2.097 190 Y HA -0.257 4.270 4.550 -0.038 0.000 0.282 190 Y C 2.776 178.620 175.900 -0.093 0.000 1.152 190 Y CA 1.657 59.677 58.100 -0.133 0.000 1.136 190 Y CB -0.122 38.178 38.460 -0.267 0.000 0.975 190 Y HN -0.039 nan 8.280 nan 0.000 0.498 191 R N 0.380 120.919 120.500 0.066 0.000 2.073 191 R HA -0.176 4.142 4.340 -0.037 0.000 0.234 191 R C 1.957 178.191 176.300 -0.110 0.000 1.134 191 R CA 1.771 57.864 56.100 -0.011 0.000 0.952 191 R CB -1.212 29.119 30.300 0.052 0.000 0.850 191 R HN 0.581 nan 8.270 nan 0.000 0.433 192 N N 0.203 118.845 118.700 -0.097 0.000 2.166 192 N HA -0.153 4.565 4.740 -0.037 0.000 0.186 192 N C 1.529 176.907 175.510 -0.220 0.000 1.019 192 N CA 0.660 53.643 53.050 -0.111 0.000 0.856 192 N CB 0.005 38.461 38.487 -0.052 0.000 0.993 192 N HN -0.019 nan 8.380 nan 0.000 0.426 193 L N -0.600 120.369 121.223 -0.423 0.000 2.102 193 L HA -0.020 4.298 4.340 -0.037 0.000 0.202 193 L C 0.955 177.380 176.870 -0.742 0.000 1.076 193 L CA 1.589 56.002 54.840 -0.712 0.000 0.761 193 L CB -0.551 40.712 42.059 -1.328 0.000 0.921 193 L HN 0.218 nan 8.230 nan 0.000 0.444 194 Y N -1.558 118.540 120.300 -0.336 0.000 2.467 194 Y HA 0.312 4.840 4.550 -0.038 0.000 0.250 194 Y C 0.829 176.562 175.900 -0.277 0.000 1.155 194 Y CA -0.425 57.458 58.100 -0.362 0.000 1.249 194 Y CB 0.277 38.343 38.460 -0.656 0.000 1.146 194 Y HN -0.070 nan 8.280 nan 0.000 0.524 195 R N 0.469 120.898 120.500 -0.118 0.000 2.711 195 R HA 0.446 4.764 4.340 -0.037 0.000 0.350 195 R C -0.084 176.178 176.300 -0.063 0.000 1.146 195 R CA -0.383 55.673 56.100 -0.072 0.000 1.190 195 R CB 0.130 30.400 30.300 -0.050 0.000 1.312 195 R HN 0.087 nan 8.270 nan 0.000 0.635 196 A N 0.214 122.992 122.820 -0.071 0.000 2.580 196 A HA 0.340 4.638 4.320 -0.037 0.000 0.244 196 A C 1.403 178.963 177.584 -0.040 0.000 1.045 196 A CA 1.563 53.565 52.037 -0.059 0.000 0.761 196 A CB -0.220 18.744 19.000 -0.060 0.000 0.962 196 A HN 0.785 nan 8.150 nan 0.000 0.512 197 G N 1.362 110.142 108.800 -0.033 0.000 2.194 197 G HA2 -0.138 3.800 3.960 -0.037 0.000 0.236 197 G HA3 -0.138 3.800 3.960 -0.037 0.000 0.236 197 G C 0.566 175.454 174.900 -0.020 0.000 0.987 197 G CA 0.839 45.925 45.100 -0.024 0.000 0.635 197 G HN 2.175 nan 8.290 nan 0.000 0.520 198 S N -0.788 114.900 115.700 -0.021 0.000 2.730 198 S HA 0.826 5.274 4.470 -0.037 0.000 0.284 198 S C 0.027 174.625 174.600 -0.005 0.000 1.153 198 S CA 0.446 58.637 58.200 -0.014 0.000 0.995 198 S CB 2.189 65.379 63.200 -0.018 0.000 1.058 198 S HN 1.407 nan 8.310 nan 0.000 0.552 199 S N -0.594 115.107 115.700 0.002 0.000 2.536 199 S HA 0.424 4.872 4.470 -0.037 0.000 0.298 199 S C 1.014 175.629 174.600 0.024 0.000 1.083 199 S CA -0.871 57.336 58.200 0.011 0.000 0.995 199 S CB 0.676 63.881 63.200 0.007 0.000 1.058 199 S HN 0.863 nan 8.310 nan 0.000 0.488 200 I N 2.021 122.613 120.570 0.037 0.000 2.614 200 I HA 0.346 4.494 4.170 -0.037 0.000 0.258 200 I C 1.153 177.296 176.117 0.043 0.000 1.189 200 I CA 0.739 62.072 61.300 0.054 0.000 1.462 200 I CB -1.191 36.853 38.000 0.075 0.000 1.092 200 I HN 0.886 nan 8.210 nan 0.000 0.442 201 G N 1.144 109.961 108.800 0.029 0.000 2.615 201 G HA2 0.073 4.011 3.960 -0.037 0.000 0.218 201 G HA3 0.073 4.011 3.960 -0.037 0.000 0.218 201 G C -0.491 174.422 174.900 0.023 0.000 1.339 201 G CA -0.210 44.904 45.100 0.022 0.000 0.884 201 G HN 1.028 nan 8.290 nan 0.000 0.559 202 A N -1.102 121.729 122.820 0.018 0.000 2.354 202 A HA 0.846 5.144 4.320 -0.037 0.000 0.321 202 A C -0.157 177.437 177.584 0.016 0.000 1.125 202 A CA -0.442 51.605 52.037 0.016 0.000 0.799 202 A CB 1.346 20.352 19.000 0.010 0.000 1.293 202 A HN 1.370 nan 8.150 nan 0.000 0.452 203 I N 1.276 121.857 120.570 0.018 0.000 2.519 203 I HA 0.146 4.294 4.170 -0.037 0.000 0.287 203 I C -0.055 176.066 176.117 0.006 0.000 1.047 203 I CA 0.371 61.684 61.300 0.020 0.000 1.381 203 I CB 0.929 38.951 38.000 0.036 0.000 1.417 203 I HN 0.551 nan 8.210 nan 0.000 0.540 204 D N 4.159 124.555 120.400 -0.008 0.000 2.392 204 D HA 0.155 4.773 4.640 -0.037 0.000 0.228 204 D C 0.701 176.993 176.300 -0.014 0.000 1.074 204 D CA -0.206 53.779 54.000 -0.025 0.000 0.838 204 D CB 1.268 42.027 40.800 -0.068 0.000 1.067 204 D HN 0.544 nan 8.370 nan 0.000 0.511 205 S N 3.384 119.079 115.700 -0.008 0.000 2.493 205 S HA -0.116 4.332 4.470 -0.037 0.000 0.243 205 S C 1.418 176.011 174.600 -0.012 0.000 0.991 205 S CA 0.533 58.729 58.200 -0.005 0.000 0.957 205 S CB 0.239 63.434 63.200 -0.008 0.000 0.756 205 S HN 0.379 nan 8.310 nan 0.000 0.521 206 K N 0.716 121.104 120.400 -0.020 0.000 2.404 206 K HA 0.372 4.670 4.320 -0.037 0.000 0.194 206 K C 0.293 176.879 176.600 -0.023 0.000 1.023 206 K CA 0.067 56.342 56.287 -0.021 0.000 1.094 206 K CB -0.123 32.362 32.500 -0.024 0.000 0.841 206 K HN 0.418 nan 8.250 nan 0.000 0.523 207 L N 1.540 122.745 121.223 -0.030 0.000 2.313 207 L HA 0.260 4.578 4.340 -0.037 0.000 0.268 207 L C 0.449 177.361 176.870 0.070 0.000 1.010 207 L CA -1.136 53.692 54.840 -0.021 0.000 0.814 207 L CB 1.282 43.252 42.059 -0.147 0.000 1.304 207 L HN 0.125 nan 8.230 nan 0.000 0.441 208 D N -0.803 119.678 120.400 0.136 0.000 2.357 208 D HA -0.105 4.513 4.640 -0.037 0.000 0.242 208 D C 0.602 177.084 176.300 0.304 0.000 1.153 208 D CA -0.445 53.674 54.000 0.199 0.000 0.918 208 D CB 1.325 42.238 40.800 0.187 0.000 1.181 208 D HN 0.645 nan 8.370 nan 0.000 0.435 209 W N 1.955 123.344 121.300 0.148 0.000 2.338 209 W HA -0.221 4.414 4.660 -0.042 0.000 0.304 209 W C 2.282 178.916 176.519 0.192 0.000 1.212 209 W CA 1.972 59.430 57.345 0.189 0.000 1.264 209 W CB -0.350 29.308 29.460 0.331 0.000 1.142 209 W HN 0.378 nan 8.180 nan 0.000 0.512 210 S N -1.581 114.284 115.700 0.276 0.000 2.382 210 S HA -0.288 4.160 4.470 -0.037 0.000 0.228 210 S C 1.589 176.249 174.600 0.100 0.000 1.027 210 S CA 1.621 59.874 58.200 0.088 0.000 0.991 210 S CB -0.820 62.431 63.200 0.085 0.000 0.823 210 S HN 0.563 nan 8.310 nan 0.000 0.469 211 H N 1.026 120.123 119.070 0.045 0.000 2.357 211 H HA 0.031 4.565 4.556 -0.037 0.000 0.301 211 H C 2.061 177.415 175.328 0.044 0.000 1.082 211 H CA 1.340 57.407 56.048 0.031 0.000 1.342 211 H CB -0.046 29.741 29.762 0.043 0.000 1.389 211 H HN 0.391 nan 8.280 nan 0.000 0.511 212 N N -0.450 118.369 118.700 0.198 0.000 2.166 212 N HA -0.162 4.556 4.740 -0.037 0.000 0.186 212 N C 1.502 177.102 175.510 0.151 0.000 1.019 212 N CA 0.731 53.847 53.050 0.110 0.000 0.856 212 N CB -0.066 38.466 38.487 0.075 0.000 0.993 212 N HN 0.210 nan 8.380 nan 0.000 0.426 213 F N 1.981 121.858 119.950 -0.122 0.000 2.102 213 F HA -0.151 4.355 4.527 -0.036 0.000 0.298 213 F C 2.655 178.416 175.800 -0.066 0.000 1.105 213 F CA 1.606 59.493 58.000 -0.188 0.000 1.239 213 F CB -1.226 37.531 39.000 -0.405 0.000 0.991 213 F HN 0.060 nan 8.300 nan 0.000 0.474 214 T N -2.239 112.295 114.554 -0.034 0.000 2.867 214 T HA -0.177 4.151 4.350 -0.037 0.000 0.268 214 T C 1.853 176.612 174.700 0.099 0.000 1.057 214 T CA 1.669 63.748 62.100 -0.036 0.000 1.136 214 T CB -0.988 67.888 68.868 0.013 0.000 0.874 214 T HN 0.414 nan 8.240 nan 0.000 0.466 215 N N 0.640 119.429 118.700 0.147 0.000 2.142 215 N HA 0.061 4.779 4.740 -0.037 0.000 0.186 215 N C 2.038 177.596 175.510 0.081 0.000 1.023 215 N CA 1.247 54.373 53.050 0.126 0.000 0.852 215 N CB -0.261 38.300 38.487 0.123 0.000 0.998 215 N HN 0.373 nan 8.380 nan 0.000 0.424 216 M N 0.500 120.160 119.600 0.100 0.000 2.296 216 M HA -0.102 4.356 4.480 -0.037 0.000 0.265 216 M C 1.702 178.054 176.300 0.086 0.000 1.064 216 M CA 1.099 56.461 55.300 0.104 0.000 1.109 216 M CB -0.090 32.604 32.600 0.157 0.000 1.396 216 M HN 0.182 nan 8.290 nan 0.000 0.430 217 L N -0.693 120.546 121.223 0.026 0.000 2.291 217 L HA 0.022 4.340 4.340 -0.037 0.000 0.214 217 L C 1.385 178.246 176.870 -0.015 0.000 1.120 217 L CA 0.740 55.554 54.840 -0.042 0.000 0.799 217 L CB -0.468 41.456 42.059 -0.225 0.000 0.925 217 L HN 0.610 nan 8.230 nan 0.000 0.446 218 G N -1.410 107.363 108.800 -0.045 0.000 2.131 218 G HA2 -0.268 3.671 3.960 -0.037 0.000 0.201 218 G HA3 -0.268 3.671 3.960 -0.037 0.000 0.201 218 G C -0.291 174.378 174.900 -0.386 0.000 1.000 218 G CA -0.625 44.364 45.100 -0.184 0.000 0.680 218 G HN 0.195 nan 8.290 nan 0.000 0.514 219 Y N 0.450 120.692 120.300 -0.097 0.000 2.342 219 Y HA 0.515 5.043 4.550 -0.037 0.000 0.334 219 Y C 1.795 177.669 175.900 -0.043 0.000 1.067 219 Y CA 0.253 58.269 58.100 -0.141 0.000 1.128 219 Y CB 1.960 40.228 38.460 -0.320 0.000 1.200 219 Y HN 0.209 nan 8.280 nan 0.000 0.464 220 T N -2.911 111.682 114.554 0.066 0.000 3.023 220 T HA 0.017 4.345 4.350 -0.037 0.000 0.249 220 T C 0.378 175.120 174.700 0.070 0.000 1.050 220 T CA -0.118 62.019 62.100 0.062 0.000 1.088 220 T CB -0.057 68.825 68.868 0.024 0.000 0.946 220 T HN 0.492 nan 8.240 nan 0.000 0.480 221 D N 3.750 124.205 120.400 0.092 0.000 2.586 221 D HA 0.052 4.670 4.640 -0.037 0.000 0.234 221 D C -1.483 174.844 176.300 0.045 0.000 1.132 221 D CA -1.519 52.536 54.000 0.091 0.000 0.860 221 D CB 1.547 42.439 40.800 0.154 0.000 1.159 221 D HN 0.098 nan 8.370 nan 0.000 0.490 222 P HA -0.095 nan 4.420 nan 0.000 0.221 222 P C 1.079 178.327 177.300 -0.086 0.000 1.150 222 P CA 0.654 63.724 63.100 -0.050 0.000 0.800 222 P CB 0.414 32.099 31.700 -0.024 0.000 0.787 223 Q N -1.663 118.101 119.800 -0.061 0.000 2.297 223 Q HA -0.029 4.289 4.340 -0.037 0.000 0.204 223 Q C 1.742 177.530 176.000 -0.354 0.000 0.962 223 Q CA 0.773 56.491 55.803 -0.142 0.000 0.879 223 Q CB -1.139 27.588 28.738 -0.017 0.000 0.947 223 Q HN 0.217 nan 8.270 nan 0.000 0.462 224 F N 0.585 120.187 119.950 -0.580 0.000 2.146 224 F HA -0.155 4.350 4.527 -0.037 0.000 0.298 224 F C 1.877 177.390 175.800 -0.478 0.000 1.096 224 F CA 1.646 59.190 58.000 -0.760 0.000 1.275 224 F CB -0.312 38.348 39.000 -0.568 0.000 1.008 224 F HN 0.009 nan 8.300 nan 0.000 0.480 225 T N 0.144 114.482 114.554 -0.361 0.000 2.746 225 T HA -0.178 4.150 4.350 -0.037 0.000 0.267 225 T C 1.799 176.289 174.700 -0.349 0.000 1.039 225 T CA 1.551 63.422 62.100 -0.381 0.000 1.142 225 T CB -0.284 68.371 68.868 -0.354 0.000 0.866 225 T HN 0.267 nan 8.240 nan 0.000 0.444 226 E N 0.806 120.844 120.200 -0.269 0.000 2.077 226 E HA -0.073 4.255 4.350 -0.037 0.000 0.193 226 E C 2.256 178.726 176.600 -0.217 0.000 0.989 226 E CA 0.720 57.028 56.400 -0.154 0.000 0.800 226 E CB -0.457 29.209 29.700 -0.056 0.000 0.746 226 E HN 0.323 nan 8.360 nan 0.000 0.452 227 L N 0.652 121.627 121.223 -0.414 0.000 2.017 227 L HA -0.171 4.147 4.340 -0.037 0.000 0.208 227 L C 2.444 178.984 176.870 -0.550 0.000 1.073 227 L CA 1.724 56.151 54.840 -0.687 0.000 0.745 227 L CB -0.581 40.995 42.059 -0.804 0.000 0.894 227 L HN 0.082 nan 8.230 nan 0.000 0.432 228 M N -0.366 118.831 119.600 -0.672 0.000 2.080 228 M HA -0.211 4.247 4.480 -0.037 0.000 0.260 228 M C 2.371 178.549 176.300 -0.205 0.000 1.068 228 M CA 1.803 56.783 55.300 -0.534 0.000 1.109 228 M CB -0.317 31.859 32.600 -0.707 0.000 1.342 228 M HN 0.185 nan 8.290 nan 0.000 0.405 229 R N -0.715 119.694 120.500 -0.152 0.000 2.073 229 R HA -0.156 4.162 4.340 -0.037 0.000 0.234 229 R C 2.133 178.444 176.300 0.018 0.000 1.134 229 R CA 1.728 57.823 56.100 -0.009 0.000 0.952 229 R CB -0.988 29.312 30.300 0.001 0.000 0.850 229 R HN 0.368 nan 8.270 nan 0.000 0.433 230 L N -0.180 121.015 121.223 -0.048 0.000 2.027 230 L HA -0.177 4.141 4.340 -0.037 0.000 0.206 230 L C 2.116 178.995 176.870 0.016 0.000 1.074 230 L CA 1.655 56.477 54.840 -0.030 0.000 0.745 230 L CB -0.687 41.303 42.059 -0.115 0.000 0.898 230 L HN 0.099 nan 8.230 nan 0.000 0.433 231 Y N -0.015 120.192 120.300 -0.154 0.000 2.097 231 Y HA -0.274 4.252 4.550 -0.040 0.000 0.282 231 Y C 2.290 178.231 175.900 0.069 0.000 1.152 231 Y CA 2.198 60.257 58.100 -0.068 0.000 1.136 231 Y CB -0.434 37.881 38.460 -0.242 0.000 0.975 231 Y HN 0.179 nan 8.280 nan 0.000 0.498 232 L N -1.118 120.315 121.223 0.349 0.000 2.191 232 L HA -0.218 4.100 4.340 -0.037 0.000 0.212 232 L C 2.199 179.234 176.870 0.275 0.000 1.103 232 L CA 1.618 56.669 54.840 0.351 0.000 0.769 232 L CB -0.692 41.572 42.059 0.342 0.000 0.908 232 L HN 0.250 nan 8.230 nan 0.000 0.438 233 T N 0.348 115.009 114.554 0.179 0.000 2.851 233 T HA -0.064 4.264 4.350 -0.037 0.000 0.262 233 T C 1.827 176.562 174.700 0.058 0.000 1.043 233 T CA 1.304 63.460 62.100 0.093 0.000 1.140 233 T CB -0.070 68.830 68.868 0.053 0.000 0.872 233 T HN 0.447 nan 8.240 nan 0.000 0.446 234 I N -0.820 119.790 120.570 0.066 0.000 2.676 234 I HA 0.007 4.155 4.170 -0.037 0.000 0.259 234 I C 1.780 177.872 176.117 -0.041 0.000 1.194 234 I CA 1.474 62.793 61.300 0.032 0.000 1.473 234 I CB -0.502 37.444 38.000 -0.091 0.000 1.096 234 I HN 0.164 nan 8.210 nan 0.000 0.443 235 H N 1.090 120.114 119.070 -0.077 0.000 2.539 235 H HA 0.092 4.625 4.556 -0.039 0.000 0.269 235 H C 2.476 177.921 175.328 0.195 0.000 0.980 235 H CA 0.733 56.712 56.048 -0.115 0.000 1.152 235 H CB 0.131 29.664 29.762 -0.381 0.000 1.407 235 H HN 0.532 nan 8.280 nan 0.000 0.564 236 S N -0.564 115.314 115.700 0.296 0.000 2.365 236 S HA -0.163 4.285 4.470 -0.037 0.000 0.225 236 S C 0.668 175.497 174.600 0.380 0.000 1.039 236 S CA 1.628 60.006 58.200 0.295 0.000 1.033 236 S CB 0.195 63.473 63.200 0.130 0.000 0.887 236 S HN 0.383 nan 8.310 nan 0.000 0.447 237 D N -1.907 118.788 120.400 0.491 0.000 2.654 237 D HA 0.403 5.021 4.640 -0.037 0.000 0.231 237 D C -1.479 175.173 176.300 0.587 0.000 1.239 237 D CA -0.567 53.756 54.000 0.538 0.000 0.790 237 D CB 1.348 42.489 40.800 0.568 0.000 1.480 237 D HN 0.258 nan 8.370 nan 0.000 0.442 238 H N 2.442 121.682 119.070 0.283 0.000 2.823 238 H HA 0.209 4.741 4.556 -0.040 0.000 0.222 238 H C -0.449 174.909 175.328 0.050 0.000 1.414 238 H CA 0.179 56.326 56.048 0.164 0.000 1.289 238 H CB 0.445 30.323 29.762 0.193 0.000 1.970 238 H HN 0.735 nan 8.280 nan 0.000 0.517 239 E N -1.411 118.801 120.200 0.020 0.000 8.880 239 E HA -0.189 4.139 4.350 -0.037 0.000 0.183 239 E C 0.102 176.316 176.600 -0.643 0.000 1.450 239 E CA 0.962 57.282 56.400 -0.134 0.000 2.521 239 E CB -1.236 28.377 29.700 -0.145 0.000 1.229 239 E HN 0.394 nan 8.360 nan 0.000 0.443 240 G N -0.738 107.479 108.800 -0.972 0.000 2.838 240 G HA2 0.304 4.242 3.960 -0.037 0.000 0.210 240 G HA3 0.304 4.242 3.960 -0.037 0.000 0.210 240 G C 1.004 175.558 174.900 -0.577 0.000 1.153 240 G CA 0.407 44.725 45.100 -1.303 0.000 0.778 240 G HN 0.841 nan 8.290 nan 0.000 0.539 241 G N 0.580 109.158 108.800 -0.369 0.000 3.042 241 G HA2 0.092 4.030 3.960 -0.037 0.000 0.212 241 G HA3 0.092 4.030 3.960 -0.037 0.000 0.212 241 G C 0.563 175.383 174.900 -0.133 0.000 1.166 241 G CA -0.132 44.808 45.100 -0.267 0.000 0.767 241 G HN 0.580 nan 8.290 nan 0.000 0.546 242 N N -0.435 118.198 118.700 -0.112 0.000 2.453 242 N HA 0.150 4.869 4.740 -0.037 0.000 0.253 242 N C 1.201 176.637 175.510 -0.122 0.000 1.252 242 N CA -0.316 52.664 53.050 -0.115 0.000 0.917 242 N CB 1.353 39.853 38.487 0.022 0.000 1.117 242 N HN -0.188 nan 8.380 nan 0.000 0.442 243 V N 0.834 120.545 119.914 -0.338 0.000 2.282 243 V HA -0.333 3.765 4.120 -0.037 0.000 0.249 243 V C 2.487 178.595 176.094 0.022 0.000 1.057 243 V CA 2.527 64.719 62.300 -0.180 0.000 1.032 243 V CB -1.316 30.351 31.823 -0.260 0.000 0.645 243 V HN 0.944 nan 8.190 nan 0.000 0.447 244 S N 1.033 116.848 115.700 0.191 0.000 2.348 244 S HA -0.160 4.288 4.470 -0.037 0.000 0.221 244 S C 2.139 176.828 174.600 0.148 0.000 1.033 244 S CA 1.425 59.724 58.200 0.166 0.000 1.010 244 S CB -0.732 62.539 63.200 0.117 0.000 0.891 244 S HN 0.606 nan 8.310 nan 0.000 0.442 245 A N 1.731 124.652 122.820 0.169 0.000 1.877 245 A HA -0.154 4.144 4.320 -0.037 0.000 0.216 245 A C 2.194 179.902 177.584 0.207 0.000 1.186 245 A CA 1.735 53.876 52.037 0.174 0.000 0.620 245 A CB -1.536 17.458 19.000 -0.010 0.000 0.822 245 A HN 0.825 nan 8.150 nan 0.000 0.443 246 H N -0.806 118.263 119.070 -0.000 0.000 2.387 246 H HA -0.126 4.429 4.556 -0.001 0.000 0.299 246 H C 2.104 177.503 175.328 0.119 0.000 1.099 246 H CA 1.589 57.655 56.048 0.030 0.000 1.315 246 H CB 0.162 29.900 29.762 -0.040 0.000 1.380 246 H HN 0.463 nan 8.280 nan 0.000 0.513 247 T N -0.294 114.316 114.554 0.093 0.000 2.746 247 T HA -0.194 4.134 4.350 -0.037 0.000 0.267 247 T C 2.350 177.107 174.700 0.095 0.000 1.039 247 T CA 1.511 63.616 62.100 0.008 0.000 1.142 247 T CB -0.367 68.489 68.868 -0.020 0.000 0.866 247 T HN 0.549 nan 8.240 nan 0.000 0.444 248 S N 0.972 116.768 115.700 0.161 0.000 2.382 248 S HA -0.210 4.238 4.470 -0.037 0.000 0.228 248 S C 1.884 176.622 174.600 0.230 0.000 1.027 248 S CA 1.599 59.912 58.200 0.188 0.000 0.991 248 S CB -0.676 62.670 63.200 0.244 0.000 0.823 248 S HN 0.675 nan 8.310 nan 0.000 0.469 249 H N 1.263 120.463 119.070 0.216 0.000 2.299 249 H HA 0.068 4.595 4.556 -0.048 0.000 0.302 249 H C 2.044 177.492 175.328 0.201 0.000 1.078 249 H CA 1.761 57.963 56.048 0.258 0.000 1.323 249 H CB -0.574 29.401 29.762 0.355 0.000 1.381 249 H HN 0.339 nan 8.280 nan 0.000 0.498 250 L N 0.029 121.421 121.223 0.281 0.000 1.989 250 L HA -0.135 4.183 4.340 -0.037 0.000 0.211 250 L C 2.297 179.195 176.870 0.046 0.000 1.071 250 L CA 1.576 56.497 54.840 0.135 0.000 0.749 250 L CB -0.964 41.121 42.059 0.044 0.000 0.890 250 L HN 0.271 nan 8.230 nan 0.000 0.431 251 V N 0.245 120.183 119.914 0.041 0.000 2.295 251 V HA -0.198 3.900 4.120 -0.037 0.000 0.246 251 V C 2.603 178.698 176.094 0.001 0.000 1.049 251 V CA 1.812 64.122 62.300 0.018 0.000 1.024 251 V CB -1.562 30.274 31.823 0.022 0.000 0.648 251 V HN 0.651 nan 8.190 nan 0.000 0.447 252 G N -0.061 108.740 108.800 0.002 0.000 2.471 252 G HA2 -0.241 3.697 3.960 -0.037 0.000 0.219 252 G HA3 -0.241 3.697 3.960 -0.037 0.000 0.219 252 G C 1.806 176.668 174.900 -0.064 0.000 1.125 252 G CA 1.181 46.253 45.100 -0.047 0.000 0.775 252 G HN 0.649 nan 8.290 nan 0.000 0.548 253 S N 0.691 116.362 115.700 -0.050 0.000 2.442 253 S HA 0.185 4.634 4.470 -0.037 0.000 0.236 253 S C 2.256 176.860 174.600 0.006 0.000 1.007 253 S CA 1.251 59.436 58.200 -0.025 0.000 0.965 253 S CB -0.203 62.980 63.200 -0.028 0.000 0.773 253 S HN 0.523 nan 8.310 nan 0.000 0.504 254 A N 0.810 123.625 122.820 -0.009 0.000 2.251 254 A HA 0.588 4.886 4.320 -0.037 0.000 0.209 254 A C 1.238 178.794 177.584 -0.046 0.000 1.187 254 A CA 0.318 52.349 52.037 -0.011 0.000 0.823 254 A CB -0.764 18.228 19.000 -0.013 0.000 0.846 254 A HN 0.858 nan 8.150 nan 0.000 0.486 255 L N -1.812 119.374 121.223 -0.062 0.000 4.800 255 L HA -0.178 4.140 4.340 -0.037 0.000 0.412 255 L C 0.374 177.206 176.870 -0.063 0.000 1.063 255 L CA 0.026 54.808 54.840 -0.096 0.000 1.114 255 L CB -2.783 39.203 42.059 -0.123 0.000 2.089 255 L HN 0.213 nan 8.230 nan 0.000 0.686 256 S N 0.795 116.458 115.700 -0.061 0.000 2.572 256 S HA 0.268 4.716 4.470 -0.037 0.000 0.279 256 S C 0.477 175.063 174.600 -0.025 0.000 1.341 256 S CA 0.094 58.285 58.200 -0.016 0.000 1.043 256 S CB 0.915 64.114 63.200 -0.002 0.000 0.887 256 S HN 0.456 nan 8.310 nan 0.000 0.516 257 D N 2.150 122.599 120.400 0.081 0.000 2.361 257 D HA 0.168 4.786 4.640 -0.037 0.000 0.239 257 D C -1.990 174.332 176.300 0.037 0.000 1.200 257 D CA -1.299 52.763 54.000 0.103 0.000 0.915 257 D CB -0.010 40.980 40.800 0.316 0.000 1.170 257 D HN 0.100 nan 8.370 nan 0.000 0.444 258 P HA -0.147 nan 4.420 nan 0.000 0.219 258 P C 0.726 178.007 177.300 -0.031 0.000 1.146 258 P CA 1.256 64.308 63.100 -0.081 0.000 0.808 258 P CB -0.137 31.443 31.700 -0.201 0.000 0.779 259 Y N -0.782 119.565 120.300 0.077 0.000 2.163 259 Y HA -0.109 4.415 4.550 -0.043 0.000 0.288 259 Y C 2.396 178.374 175.900 0.130 0.000 1.136 259 Y CA 1.065 59.232 58.100 0.112 0.000 1.147 259 Y CB -1.230 37.283 38.460 0.088 0.000 0.987 259 Y HN -0.173 nan 8.280 nan 0.000 0.509 260 L N -0.538 120.838 121.223 0.255 0.000 2.046 260 L HA -0.222 4.096 4.340 -0.037 0.000 0.208 260 L C 2.497 179.437 176.870 0.116 0.000 1.077 260 L CA 1.674 56.607 54.840 0.155 0.000 0.747 260 L CB -0.917 41.208 42.059 0.109 0.000 0.896 260 L HN 0.306 nan 8.230 nan 0.000 0.432 261 S N -0.016 115.749 115.700 0.107 0.000 2.368 261 S HA -0.234 4.214 4.470 -0.037 0.000 0.225 261 S C 1.902 176.582 174.600 0.133 0.000 1.030 261 S CA 1.036 59.292 58.200 0.094 0.000 0.999 261 S CB -0.920 62.324 63.200 0.072 0.000 0.844 261 S HN 0.324 nan 8.310 nan 0.000 0.459 262 F N 3.076 123.038 119.950 0.021 0.000 2.186 262 F HA 0.135 4.659 4.527 -0.005 0.000 0.299 262 F C 2.543 178.364 175.800 0.035 0.000 1.090 262 F CA 0.528 58.541 58.000 0.022 0.000 1.307 262 F CB -0.906 38.085 39.000 -0.016 0.000 1.019 262 F HN 0.257 nan 8.300 nan 0.000 0.489 263 A N 0.216 123.066 122.820 0.051 0.000 1.902 263 A HA -0.038 4.260 4.320 -0.037 0.000 0.217 263 A C 2.417 179.940 177.584 -0.101 0.000 1.181 263 A CA 1.691 53.707 52.037 -0.035 0.000 0.623 263 A CB -1.505 17.548 19.000 0.088 0.000 0.818 263 A HN 0.449 nan 8.150 nan 0.000 0.443 264 A N -0.120 122.670 122.820 -0.050 0.000 1.933 264 A HA 0.173 4.471 4.320 -0.037 0.000 0.218 264 A C 2.482 180.006 177.584 -0.100 0.000 1.175 264 A CA 1.976 53.981 52.037 -0.053 0.000 0.628 264 A CB -0.962 18.029 19.000 -0.016 0.000 0.814 264 A HN 1.052 nan 8.150 nan 0.000 0.444 265 A N -0.778 121.954 122.820 -0.146 0.000 1.933 265 A HA -0.136 4.162 4.320 -0.037 0.000 0.218 265 A C 2.136 179.566 177.584 -0.257 0.000 1.175 265 A CA 1.947 53.882 52.037 -0.171 0.000 0.628 265 A CB -0.471 18.412 19.000 -0.196 0.000 0.814 265 A HN 0.433 nan 8.150 nan 0.000 0.444 266 M N 0.098 119.461 119.600 -0.395 0.000 2.229 266 M HA -0.110 4.348 4.480 -0.037 0.000 0.264 266 M C 1.564 177.743 176.300 -0.202 0.000 1.063 266 M CA 1.086 56.174 55.300 -0.354 0.000 1.114 266 M CB -1.734 30.642 32.600 -0.373 0.000 1.387 266 M HN 0.540 nan 8.290 nan 0.000 0.420 267 N N -0.091 118.520 118.700 -0.149 0.000 2.381 267 N HA -0.073 4.645 4.740 -0.037 0.000 0.182 267 N C 1.797 177.253 175.510 -0.090 0.000 1.025 267 N CA 0.854 53.841 53.050 -0.104 0.000 0.888 267 N CB -0.067 38.375 38.487 -0.075 0.000 0.965 267 N HN 0.426 nan 8.380 nan 0.000 0.438 268 G N 1.256 110.007 108.800 -0.080 0.000 2.396 268 G HA2 -0.147 3.791 3.960 -0.037 0.000 0.214 268 G HA3 -0.147 3.791 3.960 -0.037 0.000 0.214 268 G C 1.432 176.339 174.900 0.011 0.000 1.166 268 G CA 0.040 45.128 45.100 -0.020 0.000 0.793 268 G HN 0.112 nan 8.290 nan 0.000 0.533 269 L N 1.421 122.570 121.223 -0.123 0.000 2.191 269 L HA 0.188 4.506 4.340 -0.037 0.000 0.212 269 L C 2.760 179.460 176.870 -0.283 0.000 1.103 269 L CA 1.588 56.191 54.840 -0.394 0.000 0.769 269 L CB -0.296 41.446 42.059 -0.529 0.000 0.908 269 L HN 0.213 nan 8.230 nan 0.000 0.438 270 A N -0.879 121.835 122.820 -0.175 0.000 2.235 270 A HA 0.340 4.638 4.320 -0.037 0.000 0.208 270 A C 1.292 178.807 177.584 -0.115 0.000 1.172 270 A CA 0.426 52.373 52.037 -0.150 0.000 0.786 270 A CB -1.260 17.645 19.000 -0.158 0.000 0.804 270 A HN 0.402 nan 8.150 nan 0.000 0.479 271 G N -0.276 108.487 108.800 -0.062 0.000 2.415 271 G HA2 0.431 4.369 3.960 -0.037 0.000 0.269 271 G HA3 0.431 4.369 3.960 -0.037 0.000 0.269 271 G C -1.422 173.477 174.900 -0.002 0.000 1.209 271 G CA -1.091 43.993 45.100 -0.027 0.000 0.835 271 G HN 0.055 nan 8.290 nan 0.000 0.534 272 P HA -0.100 nan 4.420 nan 0.000 0.218 272 P C 1.738 179.059 177.300 0.036 0.000 1.148 272 P CA 0.856 63.967 63.100 0.017 0.000 0.822 272 P CB 0.203 31.909 31.700 0.010 0.000 0.784 273 L N -3.270 117.972 121.223 0.032 0.000 2.492 273 L HA 0.008 4.326 4.340 -0.037 0.000 0.223 273 L C 1.996 178.915 176.870 0.081 0.000 1.132 273 L CA 0.466 55.325 54.840 0.030 0.000 0.850 273 L CB -0.660 41.396 42.059 -0.005 0.000 0.966 273 L HN 0.148 nan 8.230 nan 0.000 0.454 274 H N -0.245 118.805 119.070 -0.033 0.000 3.664 274 H HA 0.294 4.819 4.556 -0.051 0.000 0.191 274 H C 1.505 176.827 175.328 -0.011 0.000 1.583 274 H CA 0.250 56.271 56.048 -0.044 0.000 1.543 274 H CB -0.066 29.640 29.762 -0.093 0.000 0.687 274 H HN -0.143 nan 8.280 nan 0.000 0.729 275 G N 0.456 109.038 108.800 -0.363 0.000 2.470 275 G HA2 -0.191 3.747 3.960 -0.037 0.000 0.220 275 G HA3 -0.191 3.747 3.960 -0.037 0.000 0.220 275 G C 1.535 176.447 174.900 0.020 0.000 1.121 275 G CA 0.811 45.727 45.100 -0.308 0.000 0.766 275 G HN 0.387 nan 8.290 nan 0.000 0.553 276 L N 1.078 122.295 121.223 -0.010 0.000 2.353 276 L HA 0.132 4.450 4.340 -0.037 0.000 0.220 276 L C 2.973 179.920 176.870 0.127 0.000 1.133 276 L CA 1.376 56.252 54.840 0.059 0.000 0.798 276 L CB -0.233 41.823 42.059 -0.006 0.000 0.922 276 L HN 0.233 nan 8.230 nan 0.000 0.445 277 A N 0.356 123.258 122.820 0.137 0.000 1.986 277 A HA -0.302 3.996 4.320 -0.037 0.000 0.220 277 A C 2.019 179.724 177.584 0.203 0.000 1.171 277 A CA 1.976 54.103 52.037 0.149 0.000 0.640 277 A CB -1.153 17.936 19.000 0.149 0.000 0.811 277 A HN 0.834 nan 8.150 nan 0.000 0.451 278 N N -0.773 118.089 118.700 0.270 0.000 2.223 278 N HA -0.285 4.433 4.740 -0.037 0.000 0.185 278 N C 1.944 177.675 175.510 0.369 0.000 1.016 278 N CA 1.281 54.526 53.050 0.325 0.000 0.863 278 N CB -0.365 38.339 38.487 0.362 0.000 0.983 278 N HN 0.761 nan 8.380 nan 0.000 0.429 279 Q N 0.797 120.782 119.800 0.307 0.000 2.062 279 Q HA -0.107 4.211 4.340 -0.037 0.000 0.196 279 Q C 1.575 177.696 176.000 0.203 0.000 0.967 279 Q CA 0.808 56.752 55.803 0.235 0.000 0.832 279 Q CB 0.122 28.974 28.738 0.189 0.000 0.899 279 Q HN 0.342 nan 8.270 nan 0.000 0.442 280 E N 0.341 120.655 120.200 0.190 0.000 2.110 280 E HA -0.142 4.186 4.350 -0.037 0.000 0.193 280 E C 2.209 178.950 176.600 0.236 0.000 0.988 280 E CA 1.083 57.591 56.400 0.181 0.000 0.804 280 E CB -0.154 29.623 29.700 0.128 0.000 0.745 280 E HN 0.252 nan 8.360 nan 0.000 0.458 281 V N 1.733 121.789 119.914 0.236 0.000 2.261 281 V HA -0.233 3.865 4.120 -0.037 0.000 0.246 281 V C 2.446 178.755 176.094 0.357 0.000 1.047 281 V CA 1.249 63.720 62.300 0.285 0.000 1.015 281 V CB -0.446 31.532 31.823 0.258 0.000 0.642 281 V HN 0.238 nan 8.190 nan 0.000 0.446 282 L N -0.566 120.843 121.223 0.310 0.000 2.083 282 L HA -0.127 4.191 4.340 -0.037 0.000 0.209 282 L C 2.250 179.254 176.870 0.223 0.000 1.083 282 L CA 1.938 56.943 54.840 0.275 0.000 0.752 282 L CB -1.018 41.210 42.059 0.282 0.000 0.899 282 L HN 0.308 nan 8.230 nan 0.000 0.433 283 L N -2.781 118.572 121.223 0.217 0.000 2.093 283 L HA -0.245 4.073 4.340 -0.037 0.000 0.208 283 L C 2.392 179.408 176.870 0.245 0.000 1.085 283 L CA 1.090 56.041 54.840 0.185 0.000 0.755 283 L CB -0.580 41.579 42.059 0.167 0.000 0.904 283 L HN 0.351 nan 8.230 nan 0.000 0.435 284 W N 0.734 122.109 121.300 0.125 0.000 2.381 284 W HA -0.154 4.485 4.660 -0.035 0.000 0.301 284 W C 2.235 178.839 176.519 0.142 0.000 1.205 284 W CA 1.256 58.698 57.345 0.162 0.000 1.285 284 W CB -0.090 29.470 29.460 0.167 0.000 1.133 284 W HN -0.053 nan 8.180 nan 0.000 0.521 285 L N -0.121 121.261 121.223 0.266 0.000 2.046 285 L HA -0.240 4.079 4.340 -0.037 0.000 0.208 285 L C 2.499 179.333 176.870 -0.060 0.000 1.077 285 L CA 1.663 56.534 54.840 0.051 0.000 0.747 285 L CB -1.062 41.102 42.059 0.174 0.000 0.896 285 L HN -0.146 nan 8.230 nan 0.000 0.432 286 S N -0.879 114.831 115.700 0.018 0.000 2.402 286 S HA -0.230 4.218 4.470 -0.037 0.000 0.229 286 S C 1.887 176.452 174.600 -0.060 0.000 1.021 286 S CA 1.037 59.231 58.200 -0.010 0.000 0.974 286 S CB -0.119 63.099 63.200 0.030 0.000 0.800 286 S HN 0.364 nan 8.310 nan 0.000 0.484 287 Q N 0.647 120.406 119.800 -0.068 0.000 2.245 287 Q HA 0.185 4.503 4.340 -0.037 0.000 0.201 287 Q C 1.969 177.836 176.000 -0.221 0.000 0.955 287 Q CA 0.476 56.240 55.803 -0.065 0.000 0.870 287 Q CB -0.161 28.587 28.738 0.018 0.000 0.945 287 Q HN 0.495 nan 8.270 nan 0.000 0.461 288 L N 0.083 121.020 121.223 -0.477 0.000 1.961 288 L HA -0.265 4.053 4.340 -0.037 0.000 0.210 288 L C 2.072 178.634 176.870 -0.513 0.000 1.072 288 L CA 1.665 55.950 54.840 -0.925 0.000 0.749 288 L CB -0.177 41.285 42.059 -0.995 0.000 0.889 288 L HN 0.256 nan 8.230 nan 0.000 0.432 289 Q N -0.553 119.059 119.800 -0.314 0.000 2.368 289 Q HA -0.273 4.045 4.340 -0.037 0.000 0.210 289 Q C 1.991 177.911 176.000 -0.133 0.000 0.982 289 Q CA 1.760 57.453 55.803 -0.183 0.000 0.884 289 Q CB -0.021 28.651 28.738 -0.109 0.000 0.933 289 Q HN 0.528 nan 8.270 nan 0.000 0.460 290 K N 0.268 120.588 120.400 -0.132 0.000 2.128 290 K HA -0.100 4.198 4.320 -0.037 0.000 0.202 290 K C 0.938 177.496 176.600 -0.070 0.000 1.050 290 K CA 1.411 57.651 56.287 -0.077 0.000 0.966 290 K CB 0.166 32.638 32.500 -0.047 0.000 0.759 290 K HN -0.042 nan 8.250 nan 0.000 0.454 291 D N 0.872 121.216 120.400 -0.094 0.000 2.085 291 D HA -0.051 4.567 4.640 -0.037 0.000 0.199 291 D C 1.836 178.096 176.300 -0.067 0.000 0.981 291 D CA 1.549 55.520 54.000 -0.049 0.000 0.834 291 D CB 0.146 40.955 40.800 0.015 0.000 0.992 291 D HN 0.181 nan 8.370 nan 0.000 0.457 292 L N -0.804 120.336 121.223 -0.138 0.000 2.375 292 L HA 0.290 4.608 4.340 -0.037 0.000 0.215 292 L C 0.826 177.641 176.870 -0.091 0.000 1.108 292 L CA 0.118 54.890 54.840 -0.113 0.000 0.830 292 L CB -0.650 41.313 42.059 -0.159 0.000 0.959 292 L HN 0.100 nan 8.230 nan 0.000 0.457 293 G N 0.430 109.170 108.800 -0.100 0.000 3.379 293 G HA2 -0.073 3.865 3.960 -0.037 0.000 0.653 293 G HA3 -0.073 3.865 3.960 -0.037 0.000 0.653 293 G C 0.932 175.792 174.900 -0.066 0.000 0.872 293 G CA 0.117 45.175 45.100 -0.070 0.000 0.754 293 G HN 0.441 nan 8.290 nan 0.000 0.467 294 A N 1.969 124.754 122.820 -0.059 0.000 1.317 294 A HA -0.331 3.967 4.320 -0.037 0.000 0.377 294 A C 1.459 179.018 177.584 -0.042 0.000 4.993 294 A CA 3.180 55.191 52.037 -0.043 0.000 1.006 294 A CB -1.110 17.876 19.000 -0.022 0.000 0.619 294 A HN 2.286 nan 8.150 nan 0.000 0.524 295 D N -0.583 119.796 120.400 -0.034 0.000 2.467 295 D HA 0.610 5.228 4.640 -0.037 0.000 0.220 295 D C -0.170 176.109 176.300 -0.034 0.000 1.103 295 D CA 0.674 54.657 54.000 -0.029 0.000 0.886 295 D CB 0.492 41.281 40.800 -0.017 0.000 1.025 295 D HN 0.715 nan 8.370 nan 0.000 0.514 296 A N 2.573 125.367 122.820 -0.044 0.000 2.282 296 A HA 0.655 4.954 4.320 -0.037 0.000 0.319 296 A C 0.353 177.924 177.584 -0.022 0.000 1.121 296 A CA -0.618 51.393 52.037 -0.042 0.000 0.836 296 A CB 0.792 19.748 19.000 -0.074 0.000 1.146 296 A HN 0.585 nan 8.150 nan 0.000 0.494 297 S N 0.301 115.995 115.700 -0.011 0.000 2.652 297 S HA 0.301 4.749 4.470 -0.037 0.000 0.270 297 S C 0.046 174.653 174.600 0.012 0.000 1.243 297 S CA -0.301 57.900 58.200 0.002 0.000 0.999 297 S CB 0.939 64.143 63.200 0.007 0.000 0.973 297 S HN 0.567 nan 8.310 nan 0.000 0.544 298 D N 1.375 121.785 120.400 0.018 0.000 2.104 298 D HA -0.099 4.519 4.640 -0.037 0.000 0.194 298 D C 1.757 178.084 176.300 0.046 0.000 0.994 298 D CA 1.787 55.805 54.000 0.029 0.000 0.830 298 D CB -0.440 40.377 40.800 0.028 0.000 0.959 298 D HN 0.775 nan 8.370 nan 0.000 0.452 299 E N 0.909 121.135 120.200 0.044 0.000 2.118 299 E HA -0.124 4.204 4.350 -0.037 0.000 0.195 299 E C 1.875 178.519 176.600 0.072 0.000 0.992 299 E CA 0.884 57.320 56.400 0.059 0.000 0.804 299 E CB -0.182 29.545 29.700 0.044 0.000 0.741 299 E HN 0.274 nan 8.360 nan 0.000 0.458 300 K N 0.309 120.741 120.400 0.053 0.000 2.097 300 K HA -0.003 4.295 4.320 -0.037 0.000 0.205 300 K C 2.152 178.802 176.600 0.084 0.000 1.050 300 K CA 0.773 57.095 56.287 0.059 0.000 0.938 300 K CB -0.165 32.350 32.500 0.026 0.000 0.718 300 K HN 0.184 nan 8.250 nan 0.000 0.442 301 L N 0.492 121.753 121.223 0.064 0.000 2.056 301 L HA -0.137 4.181 4.340 -0.037 0.000 0.207 301 L C 2.582 179.542 176.870 0.149 0.000 1.078 301 L CA 1.100 55.988 54.840 0.080 0.000 0.749 301 L CB -0.363 41.727 42.059 0.050 0.000 0.901 301 L HN 0.147 nan 8.230 nan 0.000 0.433 302 R N -0.007 120.573 120.500 0.132 0.000 2.081 302 R HA -0.168 4.150 4.340 -0.037 0.000 0.235 302 R C 1.907 178.364 176.300 0.263 0.000 1.131 302 R CA 1.592 57.792 56.100 0.168 0.000 0.960 302 R CB -0.371 30.052 30.300 0.204 0.000 0.856 302 R HN 0.351 nan 8.270 nan 0.000 0.436 303 D N -0.184 120.360 120.400 0.240 0.000 2.117 303 D HA -0.191 4.427 4.640 -0.037 0.000 0.197 303 D C 1.634 178.068 176.300 0.223 0.000 0.987 303 D CA 1.133 55.277 54.000 0.239 0.000 0.829 303 D CB -0.346 40.549 40.800 0.159 0.000 0.961 303 D HN 0.192 nan 8.370 nan 0.000 0.460 304 Y N 1.128 121.475 120.300 0.079 0.000 2.165 304 Y HA -0.186 4.342 4.550 -0.037 0.000 0.286 304 Y C 2.230 178.196 175.900 0.110 0.000 1.155 304 Y CA 1.346 59.466 58.100 0.034 0.000 1.164 304 Y CB -0.291 38.122 38.460 -0.079 0.000 0.978 304 Y HN -0.075 nan 8.280 nan 0.000 0.513 305 I N -1.539 119.156 120.570 0.208 0.000 2.179 305 I HA -0.346 3.802 4.170 -0.037 0.000 0.242 305 I C 2.025 178.110 176.117 -0.053 0.000 1.088 305 I CA 1.659 63.032 61.300 0.122 0.000 1.357 305 I CB -0.563 37.439 38.000 0.004 0.000 1.051 305 I HN 0.294 nan 8.210 nan 0.000 0.409 306 W N 1.088 122.404 121.300 0.027 0.000 2.363 306 W HA -0.210 4.429 4.660 -0.035 0.000 0.296 306 W C 2.629 179.129 176.519 -0.032 0.000 1.212 306 W CA 1.223 58.565 57.345 -0.006 0.000 1.260 306 W CB -0.418 29.040 29.460 -0.004 0.000 1.131 306 W HN 0.194 nan 8.180 nan 0.000 0.530 307 N N -0.299 118.497 118.700 0.160 0.000 2.149 307 N HA -0.164 4.554 4.740 -0.037 0.000 0.188 307 N C 1.397 176.910 175.510 0.006 0.000 1.019 307 N CA 2.151 55.227 53.050 0.044 0.000 0.857 307 N CB -0.355 38.094 38.487 -0.065 0.000 0.997 307 N HN 0.061 nan 8.380 nan 0.000 0.426 308 T N 1.965 116.499 114.554 -0.033 0.000 2.674 308 T HA -0.055 4.273 4.350 -0.037 0.000 0.265 308 T C 2.100 176.811 174.700 0.018 0.000 1.039 308 T CA 1.102 63.211 62.100 0.015 0.000 1.150 308 T CB -0.238 68.699 68.868 0.115 0.000 0.864 308 T HN 0.184 nan 8.240 nan 0.000 0.427 309 L N 1.244 122.470 121.223 0.005 0.000 2.083 309 L HA -0.108 4.210 4.340 -0.037 0.000 0.209 309 L C 2.410 179.338 176.870 0.096 0.000 1.083 309 L CA 0.968 55.816 54.840 0.013 0.000 0.752 309 L CB -0.628 41.390 42.059 -0.068 0.000 0.899 309 L HN 0.202 nan 8.230 nan 0.000 0.433 310 N N -0.641 118.151 118.700 0.153 0.000 2.453 310 N HA -0.092 4.626 4.740 -0.037 0.000 0.183 310 N C 1.601 177.151 175.510 0.066 0.000 1.041 310 N CA 0.872 53.998 53.050 0.127 0.000 0.900 310 N CB -0.041 38.526 38.487 0.133 0.000 0.961 310 N HN 0.186 nan 8.380 nan 0.000 0.443 311 S N -0.587 115.141 115.700 0.048 0.000 2.631 311 S HA 0.229 4.677 4.470 -0.037 0.000 0.217 311 S C 1.173 175.788 174.600 0.026 0.000 0.958 311 S CA 0.289 58.508 58.200 0.030 0.000 0.920 311 S CB 0.162 63.376 63.200 0.023 0.000 0.776 311 S HN 0.523 nan 8.310 nan 0.000 0.517 312 G N 2.103 110.919 108.800 0.027 0.000 2.198 312 G HA2 -0.255 3.683 3.960 -0.037 0.000 0.257 312 G HA3 -0.255 3.683 3.960 -0.037 0.000 0.257 312 G C -0.080 174.826 174.900 0.010 0.000 1.042 312 G CA -0.192 44.919 45.100 0.018 0.000 0.791 312 G HN 0.472 nan 8.290 nan 0.000 0.502 313 R N -1.213 119.290 120.500 0.006 0.000 2.873 313 R HA 0.767 5.085 4.340 -0.037 0.000 0.264 313 R C 0.534 176.812 176.300 -0.037 0.000 1.026 313 R CA -0.451 55.647 56.100 -0.004 0.000 1.002 313 R CB 1.954 32.264 30.300 0.017 0.000 1.174 313 R HN 0.548 nan 8.270 nan 0.000 0.488 314 V N -1.374 118.505 119.914 -0.057 0.000 2.973 314 V HA 0.524 4.622 4.120 -0.037 0.000 0.314 314 V C -0.051 175.926 176.094 -0.195 0.000 1.066 314 V CA -0.836 61.403 62.300 -0.102 0.000 1.021 314 V CB 1.704 33.480 31.823 -0.078 0.000 1.076 314 V HN 0.368 nan 8.190 nan 0.000 0.462 315 V N 4.467 124.220 119.914 -0.268 0.000 2.385 315 V HA 0.373 4.471 4.120 -0.037 0.000 0.269 315 V C -1.929 173.938 176.094 -0.378 0.000 1.043 315 V CA -1.292 60.699 62.300 -0.516 0.000 0.906 315 V CB 0.987 32.507 31.823 -0.505 0.000 0.995 315 V HN 0.970 nan 8.190 nan 0.000 0.467 316 P HA 0.300 nan 4.420 nan 0.000 0.271 316 P C 0.830 178.122 177.300 -0.013 0.000 1.216 316 P CA 0.688 63.692 63.100 -0.160 0.000 0.776 316 P CB 1.080 32.720 31.700 -0.100 0.000 0.881 317 G N 0.372 109.204 108.800 0.053 0.000 2.175 317 G HA2 -0.218 3.720 3.960 -0.037 0.000 0.244 317 G HA3 -0.218 3.720 3.960 -0.037 0.000 0.244 317 G C -0.500 174.311 174.900 -0.148 0.000 0.982 317 G CA -0.204 44.917 45.100 0.035 0.000 0.641 317 G HN 0.489 nan 8.290 nan 0.000 0.527 318 Y N 0.190 120.446 120.300 -0.074 0.000 2.485 318 Y HA 0.601 5.128 4.550 -0.037 0.000 0.345 318 Y C 0.843 176.722 175.900 -0.034 0.000 0.998 318 Y CA 0.073 58.131 58.100 -0.069 0.000 1.059 318 Y CB 2.159 40.542 38.460 -0.128 0.000 1.234 318 Y HN 1.327 nan 8.280 nan 0.000 0.461 319 G N 1.807 110.671 108.800 0.106 0.000 2.699 319 G HA2 0.085 4.023 3.960 -0.037 0.000 0.686 319 G HA3 0.085 4.023 3.960 -0.037 0.000 0.686 319 G C -1.681 173.318 174.900 0.164 0.000 1.301 319 G CA -0.710 44.451 45.100 0.101 0.000 0.816 319 G HN 0.980 nan 8.290 nan 0.000 0.595 320 H N -0.589 118.504 119.070 0.038 0.000 3.094 320 H HA 0.533 5.069 4.556 -0.035 0.000 0.335 320 H C 0.871 176.220 175.328 0.035 0.000 1.254 320 H CA 0.273 56.348 56.048 0.044 0.000 1.240 320 H CB 1.591 31.392 29.762 0.064 0.000 1.936 320 H HN 1.245 nan 8.280 nan 0.000 0.536 321 A N 2.575 125.238 122.820 -0.262 0.000 2.016 321 A HA 0.068 4.366 4.320 -0.037 0.000 0.217 321 A C 1.202 178.844 177.584 0.097 0.000 1.162 321 A CA 1.823 53.818 52.037 -0.071 0.000 0.662 321 A CB 0.099 19.012 19.000 -0.145 0.000 0.812 321 A HN 0.270 nan 8.150 nan 0.000 0.450 322 V N -1.193 118.932 119.914 0.352 0.000 3.137 322 V HA 0.215 4.313 4.120 -0.037 0.000 0.236 322 V C 0.835 177.035 176.094 0.176 0.000 1.260 322 V CA -0.220 62.211 62.300 0.219 0.000 1.244 322 V CB -0.398 31.529 31.823 0.174 0.000 1.016 322 V HN 0.369 nan 8.190 nan 0.000 0.477 323 L N 1.338 122.681 121.223 0.199 0.000 2.485 323 L HA 0.141 4.459 4.340 -0.037 0.000 0.275 323 L C 1.340 178.269 176.870 0.098 0.000 1.207 323 L CA 0.434 55.266 54.840 -0.013 0.000 0.855 323 L CB 0.288 42.195 42.059 -0.253 0.000 1.114 323 L HN 0.183 nan 8.230 nan 0.000 0.485 324 R N 1.779 122.328 120.500 0.081 0.000 2.531 324 R HA 0.316 4.634 4.340 -0.037 0.000 0.316 324 R C -0.484 175.948 176.300 0.220 0.000 0.955 324 R CA -0.014 56.181 56.100 0.159 0.000 1.120 324 R CB 0.538 30.901 30.300 0.106 0.000 1.361 324 R HN 0.499 nan 8.270 nan 0.000 0.534 325 K N -0.001 120.435 120.400 0.061 0.000 2.469 325 K HA 0.356 4.654 4.320 -0.037 0.000 0.268 325 K C -0.512 175.953 176.600 -0.225 0.000 1.027 325 K CA -0.726 55.409 56.287 -0.252 0.000 0.893 325 K CB 1.505 33.859 32.500 -0.242 0.000 1.460 325 K HN -0.274 nan 8.250 nan 0.000 0.449 326 T N 2.061 116.351 114.554 -0.440 0.000 2.871 326 T HA -0.072 4.256 4.350 -0.037 0.000 0.296 326 T C 0.001 174.621 174.700 -0.134 0.000 0.998 326 T CA 0.387 62.367 62.100 -0.200 0.000 1.162 326 T CB -0.030 68.716 68.868 -0.204 0.000 0.947 326 T HN 0.307 nan 8.240 nan 0.000 0.536 327 D N 4.837 125.173 120.400 -0.106 0.000 2.472 327 D HA 0.023 4.641 4.640 -0.037 0.000 0.248 327 D C -1.043 175.238 176.300 -0.033 0.000 1.174 327 D CA -2.010 51.939 54.000 -0.085 0.000 0.883 327 D CB 1.176 41.918 40.800 -0.097 0.000 1.149 327 D HN 0.193 nan 8.370 nan 0.000 0.488 328 P HA -0.125 nan 4.420 nan 0.000 0.221 328 P C 1.079 178.350 177.300 -0.048 0.000 1.145 328 P CA 0.894 63.970 63.100 -0.040 0.000 0.795 328 P CB 0.314 31.983 31.700 -0.051 0.000 0.775 329 R N -1.671 118.786 120.500 -0.071 0.000 2.115 329 R HA -0.116 4.202 4.340 -0.037 0.000 0.226 329 R C 2.484 178.708 176.300 -0.127 0.000 1.100 329 R CA 0.992 57.012 56.100 -0.134 0.000 0.980 329 R CB -0.775 29.386 30.300 -0.231 0.000 0.875 329 R HN 0.242 nan 8.270 nan 0.000 0.445 330 Y N 1.103 121.297 120.300 -0.177 0.000 2.184 330 Y HA -0.132 4.395 4.550 -0.038 0.000 0.290 330 Y C 2.155 177.956 175.900 -0.165 0.000 1.129 330 Y CA 1.610 59.621 58.100 -0.147 0.000 1.144 330 Y CB -0.204 38.163 38.460 -0.155 0.000 0.995 330 Y HN -0.130 nan 8.280 nan 0.000 0.513 331 T N -0.279 114.268 114.554 -0.012 0.000 2.720 331 T HA -0.289 4.039 4.350 -0.037 0.000 0.268 331 T C 2.074 176.680 174.700 -0.157 0.000 1.037 331 T CA 1.555 63.613 62.100 -0.070 0.000 1.144 331 T CB -1.118 67.756 68.868 0.010 0.000 0.864 331 T HN 0.683 nan 8.240 nan 0.000 0.444 332 C N 1.418 120.636 119.300 -0.137 0.000 2.422 332 C HA -0.057 4.381 4.460 -0.037 0.000 0.279 332 C C 2.609 177.490 174.990 -0.181 0.000 1.305 332 C CA 0.797 59.745 59.018 -0.117 0.000 1.757 332 C CB -1.237 26.461 27.740 -0.069 0.000 1.962 332 C HN 0.539 nan 8.230 nan 0.000 0.499 333 Q N -0.145 119.449 119.800 -0.345 0.000 2.096 333 Q HA -0.120 4.198 4.340 -0.037 0.000 0.197 333 Q C 2.550 178.132 176.000 -0.697 0.000 0.964 333 Q CA 1.287 56.794 55.803 -0.494 0.000 0.838 333 Q CB -0.330 28.054 28.738 -0.589 0.000 0.906 333 Q HN 0.698 nan 8.270 nan 0.000 0.444 334 R N 1.369 121.325 120.500 -0.907 0.000 2.103 334 R HA -0.217 4.101 4.340 -0.037 0.000 0.242 334 R C 2.240 178.399 176.300 -0.235 0.000 1.142 334 R CA 1.927 57.697 56.100 -0.551 0.000 0.960 334 R CB -0.143 30.006 30.300 -0.251 0.000 0.858 334 R HN 0.387 nan 8.270 nan 0.000 0.439 335 E N -0.563 119.538 120.200 -0.164 0.000 2.110 335 E HA -0.244 4.084 4.350 -0.037 0.000 0.193 335 E C 1.865 178.411 176.600 -0.090 0.000 0.988 335 E CA 1.190 57.536 56.400 -0.089 0.000 0.804 335 E CB -0.568 29.101 29.700 -0.051 0.000 0.745 335 E HN 0.445 nan 8.360 nan 0.000 0.458 336 F N 2.037 121.875 119.950 -0.188 0.000 2.146 336 F HA -0.009 4.497 4.527 -0.034 0.000 0.298 336 F C 2.420 178.140 175.800 -0.134 0.000 1.096 336 F CA 1.491 59.446 58.000 -0.075 0.000 1.275 336 F CB -0.364 38.597 39.000 -0.064 0.000 1.008 336 F HN 0.124 nan 8.300 nan 0.000 0.480 337 A N 0.695 123.444 122.820 -0.118 0.000 1.877 337 A HA -0.162 4.136 4.320 -0.037 0.000 0.216 337 A C 2.269 179.502 177.584 -0.586 0.000 1.186 337 A CA 1.856 53.584 52.037 -0.515 0.000 0.620 337 A CB -1.283 17.030 19.000 -1.145 0.000 0.822 337 A HN 0.473 nan 8.150 nan 0.000 0.443 338 L N -0.797 120.191 121.223 -0.392 0.000 2.127 338 L HA -0.209 4.109 4.340 -0.037 0.000 0.211 338 L C 2.367 179.090 176.870 -0.245 0.000 1.089 338 L CA 1.243 55.980 54.840 -0.172 0.000 0.757 338 L CB -0.327 41.712 42.059 -0.033 0.000 0.899 338 L HN 0.251 nan 8.230 nan 0.000 0.434 339 K N -1.101 119.054 120.400 -0.407 0.000 2.076 339 K HA -0.013 4.285 4.320 -0.037 0.000 0.204 339 K C 1.901 178.038 176.600 -0.771 0.000 1.051 339 K CA 1.322 57.232 56.287 -0.628 0.000 0.949 339 K CB -0.475 31.506 32.500 -0.866 0.000 0.726 339 K HN 0.430 nan 8.250 nan 0.000 0.443 340 H N -0.380 118.434 119.070 -0.427 0.000 2.604 340 H HA 0.238 4.772 4.556 -0.037 0.000 0.273 340 H C 0.801 175.905 175.328 -0.372 0.000 0.971 340 H CA 0.484 56.309 56.048 -0.372 0.000 1.249 340 H CB 0.593 30.072 29.762 -0.472 0.000 1.449 340 H HN 0.055 nan 8.280 nan 0.000 0.512 341 L N -1.559 119.437 121.223 -0.378 0.000 2.928 341 L HA 0.398 4.716 4.340 -0.037 0.000 0.318 341 L C -2.335 174.380 176.870 -0.259 0.000 1.305 341 L CA -1.300 53.218 54.840 -0.537 0.000 0.756 341 L CB 1.130 42.418 42.059 -1.285 0.000 1.155 341 L HN -0.268 nan 8.230 nan 0.000 0.561 342 P HA -0.102 nan 4.420 nan 0.000 0.218 342 P C 0.920 178.389 177.300 0.282 0.000 1.146 342 P CA 1.203 64.394 63.100 0.151 0.000 0.813 342 P CB 0.257 32.003 31.700 0.077 0.000 0.778 343 S N -1.204 114.590 115.700 0.156 0.000 2.568 343 S HA 0.071 4.519 4.470 -0.037 0.000 0.232 343 S C 0.351 175.049 174.600 0.163 0.000 0.975 343 S CA -0.413 57.874 58.200 0.145 0.000 0.949 343 S CB -0.643 62.613 63.200 0.094 0.000 0.829 343 S HN 0.237 nan 8.310 nan 0.000 0.479 344 D N 2.506 123.034 120.400 0.214 0.000 2.390 344 D HA 0.124 4.742 4.640 -0.037 0.000 0.249 344 D C -1.396 175.022 176.300 0.197 0.000 1.144 344 D CA -1.755 52.379 54.000 0.224 0.000 0.880 344 D CB 1.151 42.095 40.800 0.239 0.000 1.182 344 D HN -0.029 nan 8.370 nan 0.000 0.451 345 P HA -0.125 nan 4.420 nan 0.000 0.221 345 P C 1.291 178.639 177.300 0.079 0.000 1.150 345 P CA 0.922 64.070 63.100 0.080 0.000 0.800 345 P CB 0.077 31.811 31.700 0.057 0.000 0.787 346 M N -1.821 117.856 119.600 0.130 0.000 2.236 346 M HA -0.045 4.413 4.480 -0.037 0.000 0.266 346 M C 1.946 178.343 176.300 0.163 0.000 1.070 346 M CA 1.390 56.769 55.300 0.130 0.000 1.137 346 M CB -0.545 32.149 32.600 0.156 0.000 1.378 346 M HN -0.242 nan 8.290 nan 0.000 0.426 347 F N 1.244 121.230 119.950 0.059 0.000 2.102 347 F HA -0.183 4.322 4.527 -0.037 0.000 0.298 347 F C 1.763 177.592 175.800 0.049 0.000 1.105 347 F CA 1.856 59.884 58.000 0.046 0.000 1.239 347 F CB -0.642 38.387 39.000 0.048 0.000 0.991 347 F HN 0.034 nan 8.300 nan 0.000 0.474 348 K N 0.078 120.327 120.400 -0.251 0.000 2.103 348 K HA -0.195 4.103 4.320 -0.037 0.000 0.207 348 K C 1.980 178.462 176.600 -0.196 0.000 1.048 348 K CA 1.691 57.768 56.287 -0.350 0.000 0.930 348 K CB -0.660 31.745 32.500 -0.158 0.000 0.716 348 K HN 0.329 nan 8.250 nan 0.000 0.444 349 L N 0.728 121.905 121.223 -0.077 0.000 2.017 349 L HA -0.149 4.169 4.340 -0.037 0.000 0.208 349 L C 1.957 178.841 176.870 0.022 0.000 1.073 349 L CA 1.535 56.364 54.840 -0.018 0.000 0.745 349 L CB -0.401 41.661 42.059 0.006 0.000 0.894 349 L HN -0.071 nan 8.230 nan 0.000 0.432 350 V N 0.285 120.215 119.914 0.026 0.000 2.332 350 V HA -0.316 3.782 4.120 -0.037 0.000 0.248 350 V C 2.820 178.971 176.094 0.094 0.000 1.055 350 V CA 1.679 64.023 62.300 0.074 0.000 1.038 350 V CB -1.436 30.377 31.823 -0.016 0.000 0.651 350 V HN 0.633 nan 8.190 nan 0.000 0.450 351 A N -1.011 121.763 122.820 -0.077 0.000 1.902 351 A HA -0.297 4.001 4.320 -0.037 0.000 0.217 351 A C 2.253 179.907 177.584 0.116 0.000 1.181 351 A CA 2.036 54.074 52.037 0.001 0.000 0.623 351 A CB -0.521 18.301 19.000 -0.296 0.000 0.818 351 A HN 0.586 nan 8.150 nan 0.000 0.443 352 Q N -0.500 119.322 119.800 0.037 0.000 2.119 352 Q HA -0.090 4.228 4.340 -0.037 0.000 0.201 352 Q C 1.911 177.987 176.000 0.127 0.000 0.972 352 Q CA 1.277 57.117 55.803 0.062 0.000 0.847 352 Q CB -0.217 28.532 28.738 0.018 0.000 0.903 352 Q HN 0.691 nan 8.270 nan 0.000 0.433 353 L N -0.253 121.074 121.223 0.172 0.000 2.191 353 L HA -0.187 4.131 4.340 -0.037 0.000 0.212 353 L C 2.277 179.324 176.870 0.296 0.000 1.103 353 L CA 0.715 55.678 54.840 0.206 0.000 0.769 353 L CB -0.529 41.689 42.059 0.265 0.000 0.908 353 L HN 0.339 nan 8.230 nan 0.000 0.438 354 Y N 1.481 121.920 120.300 0.231 0.000 2.256 354 Y HA -0.243 4.285 4.550 -0.036 0.000 0.288 354 Y C 2.243 178.263 175.900 0.200 0.000 1.155 354 Y CA 1.320 59.589 58.100 0.283 0.000 1.203 354 Y CB -0.238 38.420 38.460 0.331 0.000 0.980 354 Y HN 0.122 nan 8.280 nan 0.000 0.530 355 K N -0.789 119.688 120.400 0.128 0.000 2.365 355 K HA 0.051 4.349 4.320 -0.037 0.000 0.197 355 K C 1.752 178.358 176.600 0.010 0.000 1.042 355 K CA 1.135 57.421 56.287 -0.002 0.000 0.987 355 K CB 0.278 32.786 32.500 0.013 0.000 0.779 355 K HN 0.339 nan 8.250 nan 0.000 0.484 356 I N -0.647 119.945 120.570 0.036 0.000 2.899 356 I HA -0.122 4.026 4.170 -0.037 0.000 0.257 356 I C 1.980 178.048 176.117 -0.082 0.000 1.115 356 I CA 0.231 61.527 61.300 -0.007 0.000 1.451 356 I CB -0.184 37.827 38.000 0.017 0.000 1.251 356 I HN -0.198 nan 8.210 nan 0.000 0.456 357 V N 2.303 122.134 119.914 -0.139 0.000 2.250 357 V HA -0.195 3.903 4.120 -0.037 0.000 0.250 357 V C -0.377 175.513 176.094 -0.340 0.000 1.060 357 V CA 2.397 64.478 62.300 -0.366 0.000 1.030 357 V CB -2.171 29.132 31.823 -0.868 0.000 0.643 357 V HN 0.285 nan 8.190 nan 0.000 0.445 358 P HA -0.131 nan 4.420 nan 0.000 0.216 358 P C 1.173 178.294 177.300 -0.298 0.000 1.150 358 P CA 1.747 64.677 63.100 -0.282 0.000 0.837 358 P CB -0.241 31.270 31.700 -0.315 0.000 0.786 359 N N -1.016 117.565 118.700 -0.198 0.000 2.142 359 N HA -0.101 4.617 4.740 -0.037 0.000 0.186 359 N C 1.583 177.013 175.510 -0.132 0.000 1.023 359 N CA 0.835 53.803 53.050 -0.137 0.000 0.852 359 N CB -0.807 37.641 38.487 -0.066 0.000 0.998 359 N HN -0.085 nan 8.380 nan 0.000 0.424 360 V N 1.337 121.139 119.914 -0.187 0.000 2.295 360 V HA -0.173 3.925 4.120 -0.037 0.000 0.246 360 V C 2.147 178.039 176.094 -0.336 0.000 1.049 360 V CA 1.361 63.496 62.300 -0.274 0.000 1.024 360 V CB -0.578 30.964 31.823 -0.468 0.000 0.648 360 V HN 0.320 nan 8.190 nan 0.000 0.447 361 L N -0.919 120.101 121.223 -0.338 0.000 2.079 361 L HA -0.217 4.101 4.340 -0.037 0.000 0.210 361 L C 2.412 179.167 176.870 -0.192 0.000 1.081 361 L CA 1.455 56.122 54.840 -0.288 0.000 0.752 361 L CB -0.472 41.427 42.059 -0.267 0.000 0.896 361 L HN 0.322 nan 8.230 nan 0.000 0.433 362 L N -0.244 120.868 121.223 -0.185 0.000 2.027 362 L HA -0.236 4.082 4.340 -0.037 0.000 0.206 362 L C 2.745 179.588 176.870 -0.045 0.000 1.074 362 L CA 1.530 56.293 54.840 -0.128 0.000 0.745 362 L CB -0.383 41.591 42.059 -0.141 0.000 0.898 362 L HN 0.351 nan 8.230 nan 0.000 0.433 363 E N -0.190 120.006 120.200 -0.008 0.000 2.085 363 E HA -0.333 3.995 4.350 -0.037 0.000 0.194 363 E C 2.112 178.814 176.600 0.170 0.000 0.994 363 E CA 1.541 58.004 56.400 0.104 0.000 0.801 363 E CB -0.160 29.659 29.700 0.197 0.000 0.743 363 E HN 0.504 nan 8.360 nan 0.000 0.453 364 Q N -0.009 119.872 119.800 0.135 0.000 2.226 364 Q HA -0.101 4.218 4.340 -0.037 0.000 0.204 364 Q C 1.088 177.141 176.000 0.090 0.000 0.975 364 Q CA 1.190 57.110 55.803 0.196 0.000 0.866 364 Q CB -0.228 28.499 28.738 -0.019 0.000 0.915 364 Q HN 0.545 nan 8.270 nan 0.000 0.440 365 G N 0.811 109.624 108.800 0.022 0.000 2.198 365 G HA2 -0.319 3.619 3.960 -0.037 0.000 0.260 365 G HA3 -0.319 3.619 3.960 -0.037 0.000 0.260 365 G C 0.551 175.450 174.900 -0.002 0.000 1.025 365 G CA 0.902 46.007 45.100 0.007 0.000 0.769 365 G HN 0.400 nan 8.290 nan 0.000 0.507 366 K N -0.455 119.934 120.400 -0.018 0.000 2.325 366 K HA 0.535 4.833 4.320 -0.037 0.000 0.203 366 K C 1.757 178.341 176.600 -0.027 0.000 1.128 366 K CA 0.447 56.724 56.287 -0.016 0.000 0.931 366 K CB 0.295 32.787 32.500 -0.014 0.000 1.125 366 K HN 0.576 nan 8.250 nan 0.000 0.487 367 A N 2.246 125.037 122.820 -0.049 0.000 2.540 367 A HA -0.013 4.285 4.320 -0.037 0.000 0.239 367 A C 0.643 178.207 177.584 -0.034 0.000 1.061 367 A CA 0.335 52.345 52.037 -0.045 0.000 0.758 367 A CB 0.307 19.264 19.000 -0.071 0.000 0.991 367 A HN 0.192 nan 8.150 nan 0.000 0.502 368 K N 0.916 121.311 120.400 -0.009 0.000 2.167 368 K HA -0.054 4.244 4.320 -0.037 0.000 0.203 368 K C 0.163 176.775 176.600 0.020 0.000 1.052 368 K CA 0.788 57.080 56.287 0.009 0.000 0.956 368 K CB 0.013 32.530 32.500 0.027 0.000 0.735 368 K HN 0.711 nan 8.250 nan 0.000 0.451 369 N N 1.324 120.040 118.700 0.027 0.000 2.524 369 N HA 0.107 4.825 4.740 -0.037 0.000 0.261 369 N C -2.343 173.132 175.510 -0.058 0.000 0.998 369 N CA -2.104 50.983 53.050 0.062 0.000 0.915 369 N CB 1.618 40.206 38.487 0.168 0.000 1.187 369 N HN -0.190 nan 8.380 nan 0.000 0.507 370 P HA 0.148 nan 4.420 nan 0.000 0.261 370 P C -0.515 176.602 177.300 -0.306 0.000 1.268 370 P CA 0.018 62.888 63.100 -0.385 0.000 0.833 370 P CB -0.048 31.273 31.700 -0.632 0.000 1.231 371 W N 2.455 123.823 121.300 0.113 0.000 2.283 371 W HA 0.362 4.999 4.660 -0.038 0.000 0.341 371 W C -1.867 174.526 176.519 -0.210 0.000 1.206 371 W CA -2.714 54.660 57.345 0.049 0.000 1.294 371 W CB -0.271 29.191 29.460 0.002 0.000 1.154 371 W HN -0.178 nan 8.180 nan 0.000 0.613 372 P HA 0.063 nan 4.420 nan 0.000 0.274 372 P C -0.899 176.095 177.300 -0.510 0.000 1.231 372 P CA -0.250 62.230 63.100 -1.034 0.000 0.790 372 P CB 0.821 31.482 31.700 -1.731 0.000 0.951 373 N N -0.360 118.122 118.700 -0.363 0.000 2.531 373 N HA 0.170 4.888 4.740 -0.037 0.000 0.290 373 N C 0.868 176.361 175.510 -0.028 0.000 1.257 373 N CA -1.034 51.954 53.050 -0.104 0.000 0.863 373 N CB 0.001 38.524 38.487 0.061 0.000 1.320 373 N HN 0.036 nan 8.380 nan 0.000 0.538 374 V N 0.002 119.898 119.914 -0.030 0.000 2.370 374 V HA -0.297 3.801 4.120 -0.037 0.000 0.252 374 V C 0.853 176.960 176.094 0.022 0.000 1.068 374 V CA 2.369 64.628 62.300 -0.070 0.000 1.061 374 V CB -0.741 30.898 31.823 -0.307 0.000 0.656 374 V HN 0.680 nan 8.190 nan 0.000 0.455 375 D N 0.109 120.552 120.400 0.072 0.000 2.264 375 D HA -0.051 4.567 4.640 -0.037 0.000 0.208 375 D C 2.098 178.497 176.300 0.164 0.000 0.966 375 D CA 1.320 55.406 54.000 0.144 0.000 0.864 375 D CB -0.195 40.720 40.800 0.191 0.000 0.933 375 D HN 0.606 nan 8.370 nan 0.000 0.499 376 A N -0.089 122.813 122.820 0.138 0.000 2.121 376 A HA -0.170 4.128 4.320 -0.037 0.000 0.218 376 A C 1.795 179.525 177.584 0.243 0.000 1.154 376 A CA 1.167 53.308 52.037 0.173 0.000 0.679 376 A CB -0.292 18.701 19.000 -0.012 0.000 0.795 376 A HN 0.213 nan 8.150 nan 0.000 0.458 377 H N -1.026 118.147 119.070 0.171 0.000 2.893 377 H HA 0.146 4.679 4.556 -0.038 0.000 0.270 377 H C 2.051 177.387 175.328 0.014 0.000 1.095 377 H CA 0.886 56.960 56.048 0.044 0.000 1.186 377 H CB 0.446 30.051 29.762 -0.261 0.000 1.562 377 H HN 0.608 nan 8.280 nan 0.000 0.536 378 S N -1.002 114.807 115.700 0.181 0.000 2.335 378 S HA -0.052 4.396 4.470 -0.037 0.000 0.217 378 S C 2.365 177.018 174.600 0.089 0.000 1.032 378 S CA 1.032 59.304 58.200 0.119 0.000 0.985 378 S CB -0.874 62.369 63.200 0.071 0.000 0.896 378 S HN 0.313 nan 8.310 nan 0.000 0.445 379 G N 1.004 109.855 108.800 0.085 0.000 2.448 379 G HA2 -0.079 3.859 3.960 -0.037 0.000 0.219 379 G HA3 -0.079 3.859 3.960 -0.037 0.000 0.219 379 G C 1.418 176.378 174.900 0.100 0.000 1.127 379 G CA 0.800 45.874 45.100 -0.043 0.000 0.766 379 G HN 0.443 nan 8.290 nan 0.000 0.552 380 V N 0.846 120.865 119.914 0.176 0.000 2.407 380 V HA -0.143 3.955 4.120 -0.037 0.000 0.248 380 V C 2.909 179.117 176.094 0.190 0.000 1.055 380 V CA 1.522 63.942 62.300 0.202 0.000 1.049 380 V CB -0.270 31.676 31.823 0.204 0.000 0.662 380 V HN 0.398 nan 8.190 nan 0.000 0.455 381 L N -1.026 120.296 121.223 0.165 0.000 2.027 381 L HA -0.177 4.141 4.340 -0.037 0.000 0.206 381 L C 2.414 179.433 176.870 0.248 0.000 1.074 381 L CA 1.524 56.469 54.840 0.175 0.000 0.745 381 L CB -0.714 41.392 42.059 0.077 0.000 0.898 381 L HN 0.285 nan 8.230 nan 0.000 0.433 382 L N -0.166 121.116 121.223 0.098 0.000 1.989 382 L HA -0.250 4.068 4.340 -0.037 0.000 0.211 382 L C 2.899 179.856 176.870 0.144 0.000 1.071 382 L CA 1.418 56.292 54.840 0.056 0.000 0.749 382 L CB -0.860 40.958 42.059 -0.402 0.000 0.890 382 L HN 0.419 nan 8.230 nan 0.000 0.431 383 Q N 0.439 120.339 119.800 0.167 0.000 2.112 383 Q HA -0.319 3.999 4.340 -0.037 0.000 0.206 383 Q C 2.193 178.263 176.000 0.118 0.000 0.987 383 Q CA 2.207 58.124 55.803 0.191 0.000 0.858 383 Q CB -0.982 27.893 28.738 0.227 0.000 0.905 383 Q HN 0.602 nan 8.270 nan 0.000 0.420 384 Y N 0.390 120.676 120.300 -0.024 0.000 2.256 384 Y HA -0.233 4.294 4.550 -0.037 0.000 0.288 384 Y C 1.157 176.874 175.900 -0.304 0.000 1.155 384 Y CA 1.742 59.732 58.100 -0.182 0.000 1.203 384 Y CB -0.363 37.913 38.460 -0.307 0.000 0.980 384 Y HN 0.141 nan 8.280 nan 0.000 0.530 385 Y N -0.337 119.971 120.300 0.014 0.000 2.490 385 Y HA 0.280 4.807 4.550 -0.037 0.000 0.281 385 Y C 1.885 177.648 175.900 -0.228 0.000 1.174 385 Y CA 0.429 58.447 58.100 -0.136 0.000 1.295 385 Y CB 0.246 38.681 38.460 -0.042 0.000 1.062 385 Y HN 0.236 nan 8.280 nan 0.000 0.522 386 G N -0.052 108.718 108.800 -0.050 0.000 2.201 386 G HA2 -0.295 3.643 3.960 -0.037 0.000 0.212 386 G HA3 -0.295 3.643 3.960 -0.037 0.000 0.212 386 G C 0.450 175.403 174.900 0.089 0.000 0.994 386 G CA -0.059 45.055 45.100 0.023 0.000 0.644 386 G HN 0.272 nan 8.290 nan 0.000 0.508 387 M N 3.489 123.091 119.600 0.002 0.000 2.725 387 M HA 0.409 4.867 4.480 -0.037 0.000 0.322 387 M C 1.581 178.030 176.300 0.248 0.000 1.393 387 M CA 0.803 56.162 55.300 0.098 0.000 1.452 387 M CB 0.051 32.599 32.600 -0.087 0.000 1.242 387 M HN 0.289 nan 8.290 nan 0.000 0.487 388 T N -0.910 113.733 114.554 0.148 0.000 3.086 388 T HA 0.216 4.544 4.350 -0.037 0.000 0.250 388 T C 0.118 174.790 174.700 -0.047 0.000 1.074 388 T CA -0.158 62.003 62.100 0.102 0.000 0.988 388 T CB -0.226 68.657 68.868 0.025 0.000 0.988 388 T HN 0.578 nan 8.240 nan 0.000 0.530 389 E N 3.131 123.263 120.200 -0.113 0.000 1.814 389 E HA 0.199 4.527 4.350 -0.037 0.000 0.264 389 E C 1.625 177.964 176.600 -0.435 0.000 1.179 389 E CA -0.339 55.847 56.400 -0.357 0.000 0.972 389 E CB 0.542 29.755 29.700 -0.812 0.000 1.077 389 E HN 0.442 nan 8.360 nan 0.000 0.417 390 M N 1.161 120.411 119.600 -0.582 0.000 2.279 390 M HA -0.184 4.274 4.480 -0.037 0.000 0.264 390 M C 0.392 176.405 176.300 -0.479 0.000 1.062 390 M CA 1.760 56.487 55.300 -0.954 0.000 1.099 390 M CB -0.335 31.951 32.600 -0.524 0.000 1.394 390 M HN 0.307 nan 8.290 nan 0.000 0.426 391 N N -0.504 118.088 118.700 -0.180 0.000 2.550 391 N HA -0.124 4.594 4.740 -0.037 0.000 0.186 391 N C 1.130 176.643 175.510 0.005 0.000 1.110 391 N CA 0.752 53.767 53.050 -0.059 0.000 0.912 391 N CB -0.092 38.323 38.487 -0.120 0.000 0.968 391 N HN 0.470 nan 8.380 nan 0.000 0.448 392 Y N -0.089 120.197 120.300 -0.024 0.000 2.478 392 Y HA 0.054 4.585 4.550 -0.031 0.000 0.261 392 Y C 1.223 177.310 175.900 0.312 0.000 1.127 392 Y CA 0.077 58.290 58.100 0.188 0.000 1.288 392 Y CB 0.044 38.723 38.460 0.365 0.000 1.084 392 Y HN -0.008 nan 8.280 nan 0.000 0.530 393 Y N 0.158 120.561 120.300 0.172 0.000 2.207 393 Y HA -0.236 4.290 4.550 -0.039 0.000 0.287 393 Y C 2.484 178.441 175.900 0.095 0.000 1.156 393 Y CA 1.439 59.615 58.100 0.127 0.000 1.182 393 Y CB -1.581 36.990 38.460 0.185 0.000 0.979 393 Y HN 0.096 nan 8.280 nan 0.000 0.521 394 T N -0.663 114.050 114.554 0.265 0.000 2.915 394 T HA -0.099 4.229 4.350 -0.037 0.000 0.269 394 T C 2.261 177.018 174.700 0.096 0.000 1.071 394 T CA 1.097 63.322 62.100 0.209 0.000 1.132 394 T CB -0.639 68.316 68.868 0.145 0.000 0.878 394 T HN 0.137 nan 8.240 nan 0.000 0.479 395 V N 1.620 121.490 119.914 -0.073 0.000 2.343 395 V HA -0.121 3.977 4.120 -0.037 0.000 0.247 395 V C 2.460 178.531 176.094 -0.038 0.000 1.051 395 V CA 1.420 63.623 62.300 -0.162 0.000 1.036 395 V CB -0.655 30.826 31.823 -0.571 0.000 0.654 395 V HN 0.476 nan 8.190 nan 0.000 0.451 396 L N -1.438 119.751 121.223 -0.057 0.000 2.083 396 L HA -0.169 4.149 4.340 -0.037 0.000 0.209 396 L C 2.409 179.413 176.870 0.225 0.000 1.083 396 L CA 1.474 56.318 54.840 0.008 0.000 0.752 396 L CB -0.628 41.223 42.059 -0.346 0.000 0.899 396 L HN 0.322 nan 8.230 nan 0.000 0.433 397 F N 1.220 121.231 119.950 0.102 0.000 2.186 397 F HA -0.054 4.462 4.527 -0.018 0.000 0.299 397 F C 2.201 178.088 175.800 0.145 0.000 1.090 397 F CA 1.007 59.081 58.000 0.122 0.000 1.307 397 F CB -0.911 38.132 39.000 0.072 0.000 1.019 397 F HN -0.034 nan 8.300 nan 0.000 0.489 398 G N 0.046 109.024 108.800 0.297 0.000 2.459 398 G HA2 -0.226 3.712 3.960 -0.037 0.000 0.217 398 G HA3 -0.226 3.712 3.960 -0.037 0.000 0.217 398 G C 1.896 177.027 174.900 0.385 0.000 1.183 398 G CA 1.331 46.560 45.100 0.215 0.000 0.776 398 G HN 0.291 nan 8.290 nan 0.000 0.552 399 V N 0.762 120.841 119.914 0.275 0.000 2.332 399 V HA -0.212 3.886 4.120 -0.037 0.000 0.248 399 V C 3.038 179.310 176.094 0.298 0.000 1.055 399 V CA 2.329 64.747 62.300 0.197 0.000 1.038 399 V CB -0.573 31.249 31.823 -0.002 0.000 0.651 399 V HN 0.482 nan 8.190 nan 0.000 0.450 400 S N -0.324 115.593 115.700 0.363 0.000 2.356 400 S HA -0.254 4.194 4.470 -0.037 0.000 0.223 400 S C 2.178 177.011 174.600 0.389 0.000 1.032 400 S CA 1.832 60.275 58.200 0.405 0.000 1.005 400 S CB -0.315 63.149 63.200 0.439 0.000 0.867 400 S HN 0.473 nan 8.310 nan 0.000 0.449 401 R N 1.484 122.261 120.500 0.460 0.000 2.193 401 R HA 0.145 4.463 4.340 -0.037 0.000 0.229 401 R C 2.083 178.640 176.300 0.428 0.000 1.110 401 R CA 1.474 57.846 56.100 0.455 0.000 0.988 401 R CB -1.118 29.434 30.300 0.420 0.000 0.871 401 R HN 0.430 nan 8.270 nan 0.000 0.458 402 A N 0.435 123.472 122.820 0.362 0.000 1.940 402 A HA -0.137 4.161 4.320 -0.037 0.000 0.219 402 A C 2.126 179.724 177.584 0.024 0.000 1.176 402 A CA 1.550 53.585 52.037 -0.004 0.000 0.631 402 A CB -0.579 18.152 19.000 -0.448 0.000 0.814 402 A HN 0.362 nan 8.150 nan 0.000 0.446 403 L N -0.991 120.287 121.223 0.091 0.000 2.042 403 L HA -0.154 4.164 4.340 -0.037 0.000 0.210 403 L C 2.786 179.843 176.870 0.312 0.000 1.076 403 L CA 1.357 56.313 54.840 0.193 0.000 0.749 403 L CB -0.894 41.292 42.059 0.212 0.000 0.893 403 L HN 0.487 nan 8.230 nan 0.000 0.432 404 G N -0.202 108.778 108.800 0.300 0.000 2.411 404 G HA2 -0.126 3.812 3.960 -0.037 0.000 0.213 404 G HA3 -0.126 3.812 3.960 -0.037 0.000 0.213 404 G C 1.650 176.758 174.900 0.347 0.000 1.166 404 G CA 0.798 46.093 45.100 0.326 0.000 0.802 404 G HN 0.302 nan 8.290 nan 0.000 0.533 405 V N -0.562 119.574 119.914 0.370 0.000 2.515 405 V HA 0.074 4.172 4.120 -0.037 0.000 0.250 405 V C 2.560 178.815 176.094 0.270 0.000 1.058 405 V CA 1.306 63.836 62.300 0.384 0.000 1.064 405 V CB -0.426 31.645 31.823 0.414 0.000 0.675 405 V HN 0.288 nan 8.190 nan 0.000 0.461 406 L N 0.486 121.829 121.223 0.200 0.000 2.179 406 L HA 0.124 4.442 4.340 -0.037 0.000 0.208 406 L C 3.019 179.991 176.870 0.170 0.000 1.096 406 L CA 1.183 56.098 54.840 0.126 0.000 0.779 406 L CB -0.823 41.233 42.059 -0.005 0.000 0.922 406 L HN 0.411 nan 8.230 nan 0.000 0.443 407 A N 0.032 122.981 122.820 0.214 0.000 1.877 407 A HA -0.294 4.004 4.320 -0.037 0.000 0.216 407 A C 2.224 179.885 177.584 0.128 0.000 1.186 407 A CA 2.037 54.136 52.037 0.104 0.000 0.620 407 A CB -0.519 18.456 19.000 -0.043 0.000 0.822 407 A HN 0.389 nan 8.150 nan 0.000 0.443 408 Q N -0.729 119.121 119.800 0.084 0.000 2.119 408 Q HA -0.087 4.231 4.340 -0.037 0.000 0.201 408 Q C 1.800 177.858 176.000 0.097 0.000 0.972 408 Q CA 1.544 57.348 55.803 0.002 0.000 0.847 408 Q CB -0.551 27.963 28.738 -0.373 0.000 0.903 408 Q HN 0.460 nan 8.270 nan 0.000 0.433 409 L N 0.005 121.299 121.223 0.118 0.000 2.081 409 L HA -0.139 4.179 4.340 -0.037 0.000 0.212 409 L C 1.990 178.882 176.870 0.036 0.000 1.080 409 L CA 1.642 56.533 54.840 0.086 0.000 0.754 409 L CB -0.469 41.630 42.059 0.067 0.000 0.893 409 L HN 0.383 nan 8.230 nan 0.000 0.433 410 I N -2.241 118.347 120.570 0.031 0.000 2.179 410 I HA -0.335 3.813 4.170 -0.037 0.000 0.242 410 I C 2.146 178.179 176.117 -0.140 0.000 1.088 410 I CA 1.769 63.057 61.300 -0.021 0.000 1.357 410 I CB -0.454 37.512 38.000 -0.057 0.000 1.051 410 I HN 0.329 nan 8.210 nan 0.000 0.409 411 W N 0.783 122.015 121.300 -0.112 0.000 2.363 411 W HA -0.187 4.449 4.660 -0.041 0.000 0.296 411 W C 2.901 179.203 176.519 -0.362 0.000 1.212 411 W CA 1.156 58.363 57.345 -0.230 0.000 1.260 411 W CB -0.478 28.838 29.460 -0.239 0.000 1.131 411 W HN -0.019 nan 8.180 nan 0.000 0.530 412 S N -0.001 115.629 115.700 -0.117 0.000 2.368 412 S HA -0.168 4.280 4.470 -0.037 0.000 0.225 412 S C 1.822 176.261 174.600 -0.268 0.000 1.030 412 S CA 1.083 59.048 58.200 -0.392 0.000 0.999 412 S CB -0.274 62.902 63.200 -0.039 0.000 0.844 412 S HN 0.183 nan 8.310 nan 0.000 0.459 413 R N 1.351 121.822 120.500 -0.049 0.000 2.119 413 R HA 0.226 4.544 4.340 -0.037 0.000 0.222 413 R C 2.461 178.836 176.300 0.125 0.000 1.088 413 R CA 1.052 57.217 56.100 0.108 0.000 0.984 413 R CB -1.166 29.250 30.300 0.193 0.000 0.884 413 R HN 0.438 nan 8.270 nan 0.000 0.447 414 A N 1.283 124.111 122.820 0.013 0.000 1.902 414 A HA -0.085 4.213 4.320 -0.037 0.000 0.217 414 A C 2.166 179.719 177.584 -0.050 0.000 1.181 414 A CA 1.123 53.102 52.037 -0.097 0.000 0.623 414 A CB -0.510 18.169 19.000 -0.534 0.000 0.818 414 A HN 0.203 nan 8.150 nan 0.000 0.443 415 L N -1.015 120.149 121.223 -0.099 0.000 2.599 415 L HA 0.159 4.478 4.340 -0.037 0.000 0.230 415 L C 1.549 178.439 176.870 0.034 0.000 1.141 415 L CA 0.440 55.238 54.840 -0.070 0.000 0.877 415 L CB -0.403 41.510 42.059 -0.243 0.000 1.009 415 L HN 0.599 nan 8.230 nan 0.000 0.447 416 G N -0.084 108.747 108.800 0.052 0.000 2.198 416 G HA2 -0.282 3.656 3.960 -0.037 0.000 0.257 416 G HA3 -0.282 3.656 3.960 -0.037 0.000 0.257 416 G C 0.072 175.163 174.900 0.318 0.000 1.042 416 G CA -0.472 44.735 45.100 0.178 0.000 0.791 416 G HN 0.071 nan 8.290 nan 0.000 0.502 417 F N 1.135 121.166 119.950 0.135 0.000 2.572 417 F HA 0.337 4.838 4.527 -0.043 0.000 0.370 417 F C -0.223 175.634 175.800 0.095 0.000 1.103 417 F CA -2.003 56.064 58.000 0.111 0.000 1.286 417 F CB 0.168 39.229 39.000 0.102 0.000 1.105 417 F HN 0.116 nan 8.300 nan 0.000 0.583 418 P HA 0.227 nan 4.420 nan 0.000 0.297 418 P C -0.708 176.669 177.300 0.129 0.000 1.307 418 P CA -0.699 62.505 63.100 0.173 0.000 0.773 418 P CB 1.029 32.806 31.700 0.128 0.000 1.265 419 L N 0.378 121.662 121.223 0.102 0.000 2.578 419 L HA -0.021 4.297 4.340 -0.037 0.000 0.279 419 L C 0.626 177.539 176.870 0.071 0.000 1.227 419 L CA 0.592 55.477 54.840 0.074 0.000 0.900 419 L CB -0.673 41.425 42.059 0.065 0.000 1.144 419 L HN 0.375 nan 8.230 nan 0.000 0.496 420 E N 5.560 125.803 120.200 0.072 0.000 2.180 420 E HA 0.218 4.546 4.350 -0.037 0.000 0.283 420 E C -0.671 175.975 176.600 0.077 0.000 1.061 420 E CA -0.515 55.945 56.400 0.099 0.000 0.861 420 E CB 0.358 30.157 29.700 0.164 0.000 1.056 420 E HN 0.391 nan 8.360 nan 0.000 0.407 421 R N 5.493 126.031 120.500 0.064 0.000 2.985 421 R HA 0.265 4.583 4.340 -0.037 0.000 0.259 421 R C -2.635 173.686 176.300 0.036 0.000 1.815 421 R CA -1.389 54.738 56.100 0.045 0.000 1.278 421 R CB 0.474 30.797 30.300 0.038 0.000 1.403 421 R HN 0.578 nan 8.270 nan 0.000 0.534 422 P HA 0.393 nan 4.420 nan 0.000 0.277 422 P C -0.742 176.565 177.300 0.011 0.000 1.271 422 P CA -0.688 62.426 63.100 0.023 0.000 0.795 422 P CB 0.987 32.704 31.700 0.028 0.000 1.101 423 K N 0.282 120.683 120.400 0.002 0.000 2.143 423 K HA 0.473 4.771 4.320 -0.037 0.000 0.272 423 K C -0.098 176.492 176.600 -0.016 0.000 1.001 423 K CA -0.383 55.901 56.287 -0.006 0.000 0.915 423 K CB 0.561 33.057 32.500 -0.007 0.000 1.047 423 K HN 0.618 nan 8.250 nan 0.000 0.458 424 S N 2.784 118.472 115.700 -0.021 0.000 2.747 424 S HA 0.801 5.249 4.470 -0.037 0.000 0.300 424 S C -0.537 174.038 174.600 -0.041 0.000 1.121 424 S CA -0.883 57.295 58.200 -0.036 0.000 0.995 424 S CB 1.203 64.383 63.200 -0.034 0.000 1.113 424 S HN 0.593 nan 8.310 nan 0.000 0.547 425 M N 1.656 121.219 119.600 -0.062 0.000 2.520 425 M HA 0.523 4.981 4.480 -0.037 0.000 0.283 425 M C -0.751 175.508 176.300 -0.069 0.000 1.237 425 M CA -0.138 55.126 55.300 -0.060 0.000 0.885 425 M CB 2.492 35.046 32.600 -0.077 0.000 1.727 425 M HN 1.025 nan 8.290 nan 0.000 0.468 426 S N 0.267 115.942 115.700 -0.041 0.000 2.687 426 S HA 0.469 4.917 4.470 -0.037 0.000 0.283 426 S C 0.550 175.145 174.600 -0.009 0.000 1.170 426 S CA -0.324 57.862 58.200 -0.023 0.000 1.008 426 S CB 1.255 64.453 63.200 -0.003 0.000 1.026 426 S HN 0.757 nan 8.310 nan 0.000 0.541 427 T N 1.554 116.131 114.554 0.038 0.000 2.746 427 T HA -0.061 4.267 4.350 -0.037 0.000 0.267 427 T C 2.134 176.881 174.700 0.079 0.000 1.039 427 T CA 1.678 63.845 62.100 0.113 0.000 1.142 427 T CB -0.891 68.079 68.868 0.171 0.000 0.866 427 T HN 0.801 nan 8.240 nan 0.000 0.444 428 A N 1.339 124.188 122.820 0.049 0.000 1.877 428 A HA 0.082 4.380 4.320 -0.037 0.000 0.216 428 A C 2.632 180.232 177.584 0.026 0.000 1.186 428 A CA 1.957 54.015 52.037 0.035 0.000 0.620 428 A CB -1.400 17.615 19.000 0.025 0.000 0.822 428 A HN 0.511 nan 8.150 nan 0.000 0.443 429 G N -0.414 108.396 108.800 0.017 0.000 2.418 429 G HA2 -0.151 3.787 3.960 -0.037 0.000 0.217 429 G HA3 -0.151 3.787 3.960 -0.037 0.000 0.217 429 G C 1.496 176.403 174.900 0.013 0.000 1.158 429 G CA 1.231 46.337 45.100 0.010 0.000 0.771 429 G HN 0.472 nan 8.290 nan 0.000 0.545 430 L N 0.549 121.781 121.223 0.016 0.000 2.093 430 L HA 0.074 4.392 4.340 -0.037 0.000 0.208 430 L C 2.630 179.526 176.870 0.043 0.000 1.085 430 L CA 1.911 56.765 54.840 0.024 0.000 0.755 430 L CB -0.538 41.534 42.059 0.020 0.000 0.904 430 L HN 0.345 nan 8.230 nan 0.000 0.435 431 E N -0.370 119.861 120.200 0.052 0.000 2.058 431 E HA -0.319 4.009 4.350 -0.037 0.000 0.194 431 E C 2.094 178.712 176.600 0.030 0.000 0.997 431 E CA 1.656 58.084 56.400 0.047 0.000 0.801 431 E CB -0.154 29.572 29.700 0.044 0.000 0.746 431 E HN 0.533 nan 8.360 nan 0.000 0.450 432 K N 1.103 121.518 120.400 0.024 0.000 2.057 432 K HA -0.188 4.110 4.320 -0.037 0.000 0.207 432 K C 2.125 178.733 176.600 0.015 0.000 1.049 432 K CA 1.111 57.408 56.287 0.017 0.000 0.931 432 K CB -0.286 32.222 32.500 0.013 0.000 0.714 432 K HN 0.047 nan 8.250 nan 0.000 0.440 433 L N 0.858 122.090 121.223 0.015 0.000 2.187 433 L HA -0.136 4.182 4.340 -0.037 0.000 0.213 433 L C 1.602 178.480 176.870 0.014 0.000 1.100 433 L CA 1.795 56.642 54.840 0.012 0.000 0.765 433 L CB -0.219 41.846 42.059 0.010 0.000 0.904 433 L HN 0.311 nan 8.230 nan 0.000 0.437 434 S N -2.115 113.597 115.700 0.019 0.000 2.510 434 S HA 0.545 4.993 4.470 -0.037 0.000 0.230 434 S C 1.241 175.851 174.600 0.016 0.000 1.066 434 S CA 0.360 58.571 58.200 0.019 0.000 0.941 434 S CB 0.834 64.050 63.200 0.027 0.000 0.829 434 S HN 0.644 nan 8.310 nan 0.000 0.530 435 A N -0.397 122.434 122.820 0.017 0.000 3.483 435 A HA 0.452 4.750 4.320 -0.037 0.000 0.206 435 A C 0.801 178.394 177.584 0.015 0.000 1.437 435 A CA 0.506 52.552 52.037 0.014 0.000 1.324 435 A CB -1.033 17.974 19.000 0.011 0.000 0.762 435 A HN 1.682 nan 8.150 nan 0.000 0.416 436 G N -1.908 106.904 108.800 0.019 0.000 2.343 436 G HA2 0.640 4.578 3.960 -0.037 0.000 0.465 436 G HA3 0.640 4.578 3.960 -0.037 0.000 0.465 436 G C 0.270 175.178 174.900 0.013 0.000 1.282 436 G CA 0.818 45.929 45.100 0.019 0.000 0.996 436 G HN 2.508 nan 8.290 nan 0.000 0.521 437 G N 0.000 108.805 108.800 0.008 0.000 5.446 437 G HA2 0.000 3.938 3.960 -0.037 0.000 0.244 437 G HA3 0.000 3.938 3.960 -0.037 0.000 0.244 437 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 437 G HN 0.000 nan 8.290 nan 0.000 0.925