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 2q4w_1_A DATA FIRST_RESID 34 DATA SEQUENCE LNIQGEILCG GAAADIAGRD FGGXNCVKPL AVVRPVGPED IAGAVKAALR DATA SEQUENCE SDKLTVAARG NGHSINGQAX AEGGLVVDXS TTAENHFEVG YLSGGDATAF DATA SEQUENCE VDVSGGALWE DVLKRCVSEY GLAPRSWTDY LGLTVGGTLS NAGVSGQAFR DATA SEQUENCE YGPQTSNVTE LDVVTGNGDV VTCSEIENSE LFFSVLGGLG QFGIITRARV DATA SEQUENCE LLQPAPDXVR WIRVVYTEFD EFTQDAEWLV SQKNESSFDY VEGFVFVNGA DATA SEQUENCE DPVNGWPTVP LHPDHEFDPT RLPQSCGSVL YCLELGLHYR DSDSNSTIDK DATA SEQUENCE RVERLIGRLR FNEGLRFEVD LPYVDFLLRV KRSEEIAKEN GTWETPHPWL DATA SEQUENCE NLFVSKRDIG DFNRTVFKEL VKNGVNGPXL VYPLLRSRWD DRTSVVIPEE DATA SEQUENCE GEIFYIVALL RFVPPCAKVS SVEKXVAQNQ EIVHWCVKNG IDYKLYLPHY DATA SEQUENCE KSQEEWIRHF GNRWSRFVDR KAXFDPXAIL SPGQKIFNRS L 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 176.872 176.870 0.003 0.000 1.165 34 L CA 0.000 54.842 54.840 0.003 0.000 0.813 34 L CB 0.000 42.061 42.059 0.004 0.000 0.961 35 N N 2.655 121.356 118.700 0.002 0.000 2.626 35 N HA 0.740 5.480 4.740 0.000 0.000 0.242 35 N C -1.257 174.254 175.510 0.002 0.000 1.005 35 N CA -0.453 52.598 53.050 0.002 0.000 0.905 35 N CB 0.711 39.199 38.487 0.001 0.000 1.128 35 N HN 0.516 nan 8.380 nan 0.000 0.512 36 I N -0.473 120.098 120.570 0.002 0.000 2.530 36 I HA 0.434 4.604 4.170 0.000 0.000 0.297 36 I C 1.067 177.184 176.117 0.001 0.000 1.011 36 I CA -0.551 60.750 61.300 0.002 0.000 1.107 36 I CB 2.064 40.065 38.000 0.003 0.000 1.285 36 I HN 0.462 nan 8.210 nan 0.000 0.436 37 Q N 3.396 123.196 119.800 0.000 0.000 2.212 37 Q HA 0.206 4.546 4.340 0.000 0.000 0.199 37 Q C 1.136 177.135 176.000 -0.000 0.000 0.950 37 Q CA 0.866 56.669 55.803 -0.001 0.000 0.863 37 Q CB 0.058 28.794 28.738 -0.003 0.000 0.944 37 Q HN 1.019 nan 8.270 nan 0.000 0.465 38 G N 0.481 109.282 108.800 0.001 0.000 2.570 38 G HA2 0.084 4.044 3.960 0.000 0.000 0.276 38 G HA3 0.084 4.044 3.960 0.000 0.000 0.276 38 G C -0.889 174.013 174.900 0.003 0.000 1.346 38 G CA -0.478 44.623 45.100 0.002 0.000 1.034 38 G HN 0.314 nan 8.290 nan 0.000 0.512 39 E N -0.721 119.482 120.200 0.004 0.000 2.151 39 E HA 0.360 4.710 4.350 0.000 0.000 0.275 39 E C -0.345 176.259 176.600 0.006 0.000 0.936 39 E CA -0.283 56.120 56.400 0.005 0.000 0.777 39 E CB 2.086 31.789 29.700 0.005 0.000 1.108 39 E HN 0.232 nan 8.360 nan 0.000 0.401 40 I N 3.489 124.063 120.570 0.006 0.000 2.488 40 I HA 0.280 4.450 4.170 0.000 0.000 0.299 40 I C -0.603 175.518 176.117 0.007 0.000 0.984 40 I CA -0.764 60.540 61.300 0.007 0.000 1.250 40 I CB 0.687 38.691 38.000 0.006 0.000 1.389 40 I HN 0.249 nan 8.210 nan 0.000 0.488 41 L N 5.300 126.528 121.223 0.008 0.000 2.381 41 L HA 0.516 4.856 4.340 0.000 0.000 0.268 41 L C -0.980 175.895 176.870 0.008 0.000 0.997 41 L CA -0.190 54.655 54.840 0.008 0.000 0.818 41 L CB 1.863 43.928 42.059 0.010 0.000 1.310 41 L HN 0.578 nan 8.230 nan 0.000 0.416 42 C N 1.429 120.733 119.300 0.008 0.000 2.455 42 C HA 0.913 5.373 4.460 0.000 0.000 0.320 42 C C 0.957 175.951 174.990 0.008 0.000 1.226 42 C CA -0.454 58.569 59.018 0.008 0.000 1.569 42 C CB 0.422 28.166 27.740 0.007 0.000 2.200 42 C HN 1.170 nan 8.230 nan 0.000 0.491 43 G N 2.161 110.965 108.800 0.008 0.000 2.633 43 G HA2 0.344 4.304 3.960 0.000 0.000 0.263 43 G HA3 0.344 4.304 3.960 0.000 0.000 0.263 43 G C 0.567 175.472 174.900 0.007 0.000 1.310 43 G CA 0.214 45.318 45.100 0.007 0.000 0.914 43 G HN 2.752 nan 8.290 nan 0.000 0.569 44 G N -1.848 106.957 108.800 0.007 0.000 2.601 44 G HA2 0.196 4.156 3.960 0.000 0.000 0.261 44 G HA3 0.196 4.156 3.960 0.000 0.000 0.261 44 G C 1.554 176.459 174.900 0.009 0.000 1.289 44 G CA 2.244 47.349 45.100 0.008 0.000 0.920 44 G HN 2.500 nan 8.290 nan 0.000 0.571 45 A N -0.896 121.930 122.820 0.010 0.000 1.972 45 A HA 0.318 4.638 4.320 0.000 0.000 0.219 45 A C 3.001 180.593 177.584 0.013 0.000 1.169 45 A CA 3.361 55.405 52.037 0.012 0.000 0.635 45 A CB -1.027 17.981 19.000 0.015 0.000 0.810 45 A HN 2.355 nan 8.150 nan 0.000 0.446 46 A N 0.182 123.009 122.820 0.013 0.000 1.851 46 A HA 0.083 4.403 4.320 0.000 0.000 0.216 46 A C 2.544 180.135 177.584 0.012 0.000 1.195 46 A CA 2.417 54.462 52.037 0.013 0.000 0.622 46 A CB -1.246 17.761 19.000 0.012 0.000 0.831 46 A HN 1.152 nan 8.150 nan 0.000 0.444 47 A N -0.387 122.439 122.820 0.010 0.000 1.972 47 A HA -0.208 4.112 4.320 0.000 0.000 0.219 47 A C 1.916 179.504 177.584 0.007 0.000 1.169 47 A CA 1.929 53.971 52.037 0.009 0.000 0.635 47 A CB -0.645 18.360 19.000 0.008 0.000 0.810 47 A HN 0.690 nan 8.150 nan 0.000 0.446 48 D N 0.376 120.780 120.400 0.007 0.000 2.087 48 D HA -0.174 4.466 4.640 0.000 0.000 0.192 48 D C 1.893 178.195 176.300 0.004 0.000 0.993 48 D CA 1.757 55.760 54.000 0.004 0.000 0.828 48 D CB -0.200 40.603 40.800 0.005 0.000 0.968 48 D HN 0.483 nan 8.370 nan 0.000 0.448 49 I N 1.344 121.919 120.570 0.009 0.000 2.163 49 I HA -0.252 3.918 4.170 0.000 0.000 0.243 49 I C 2.583 178.704 176.117 0.007 0.000 1.085 49 I CA 1.281 62.587 61.300 0.011 0.000 1.347 49 I CB -0.366 37.646 38.000 0.020 0.000 1.044 49 I HN 0.021 nan 8.210 nan 0.000 0.408 50 A N 0.466 123.291 122.820 0.009 0.000 2.248 50 A HA 0.049 4.369 4.320 0.000 0.000 0.210 50 A C 1.959 179.544 177.584 0.002 0.000 1.174 50 A CA 1.279 53.320 52.037 0.008 0.000 0.750 50 A CB -0.924 18.082 19.000 0.011 0.000 0.780 50 A HN 0.510 nan 8.150 nan 0.000 0.478 51 G N -0.929 107.870 108.800 -0.001 0.000 3.393 51 G HA2 0.414 4.374 3.960 0.000 0.000 0.255 51 G HA3 0.414 4.374 3.960 0.000 0.000 0.255 51 G C 0.440 175.330 174.900 -0.016 0.000 1.097 51 G CA -0.410 44.687 45.100 -0.006 0.000 0.780 51 G HN 0.403 nan 8.290 nan 0.000 0.540 52 R N -0.118 120.369 120.500 -0.021 0.000 2.774 52 R HA 0.554 4.894 4.340 0.000 0.000 0.272 52 R C -1.600 174.673 176.300 -0.045 0.000 1.000 52 R CA -0.778 55.300 56.100 -0.037 0.000 0.906 52 R CB 1.900 32.178 30.300 -0.037 0.000 1.227 52 R HN 0.273 nan 8.270 nan 0.000 0.468 53 D N -0.459 119.900 120.400 -0.070 0.000 2.652 53 D HA 0.127 4.767 4.640 0.000 0.000 0.285 53 D C 0.024 176.258 176.300 -0.110 0.000 1.173 53 D CA -0.819 53.133 54.000 -0.081 0.000 0.981 53 D CB 0.173 40.923 40.800 -0.083 0.000 1.440 53 D HN 0.309 nan 8.370 nan 0.000 0.485 54 F N 0.515 120.260 119.950 -0.342 0.000 2.202 54 F HA 0.094 4.621 4.527 0.000 0.000 0.301 54 F C 2.212 177.874 175.800 -0.230 0.000 1.082 54 F CA 2.218 59.964 58.000 -0.424 0.000 1.313 54 F CB -0.297 38.221 39.000 -0.802 0.000 1.024 54 F HN 0.532 nan 8.300 nan 0.000 0.495 55 G N -0.527 108.194 108.800 -0.131 0.000 2.422 55 G HA2 0.204 4.164 3.960 0.000 0.000 0.218 55 G HA3 0.204 4.164 3.960 0.000 0.000 0.218 55 G C 1.013 175.810 174.900 -0.173 0.000 1.146 55 G CA 0.669 45.697 45.100 -0.120 0.000 0.769 55 G HN 0.879 nan 8.290 nan 0.000 0.547 59 C N 2.780 122.069 119.300 -0.018 0.000 3.418 59 C HA 0.489 4.949 4.460 0.000 0.000 0.238 59 C C -1.203 173.785 174.990 -0.003 0.000 1.205 59 C CA -0.203 58.807 59.018 -0.014 0.000 1.376 59 C CB -1.205 26.526 27.740 -0.016 0.000 1.826 59 C HN 0.512 nan 8.230 nan 0.000 0.513 60 V N 6.549 126.463 119.914 0.001 0.000 2.364 60 V HA 0.423 4.543 4.120 0.000 0.000 0.272 60 V C -0.065 176.034 176.094 0.009 0.000 1.036 60 V CA -0.241 62.064 62.300 0.009 0.000 0.880 60 V CB 0.980 32.813 31.823 0.016 0.000 0.991 60 V HN 0.570 nan 8.190 nan 0.000 0.460 61 K N 7.037 127.443 120.400 0.009 0.000 2.172 61 K HA 0.517 4.837 4.320 0.000 0.000 0.276 61 K C -2.504 174.103 176.600 0.012 0.000 1.013 61 K CA -1.846 54.446 56.287 0.009 0.000 0.913 61 K CB 2.152 34.656 32.500 0.008 0.000 1.055 61 K HN 0.363 nan 8.250 nan 0.000 0.461 62 P HA 0.169 nan 4.420 nan 0.000 0.281 62 P C 0.523 177.830 177.300 0.012 0.000 1.281 62 P CA -0.655 62.453 63.100 0.013 0.000 0.811 62 P CB 0.988 32.696 31.700 0.013 0.000 1.154 63 L N -0.369 120.861 121.223 0.012 0.000 2.179 63 L HA 0.294 4.634 4.340 0.000 0.000 0.208 63 L C 0.598 177.473 176.870 0.010 0.000 1.096 63 L CA 1.555 56.401 54.840 0.010 0.000 0.779 63 L CB -0.741 41.324 42.059 0.010 0.000 0.922 63 L HN 0.590 nan 8.230 nan 0.000 0.443 64 A N -2.050 120.776 122.820 0.010 0.000 2.601 64 A HA 0.644 4.964 4.320 0.000 0.000 0.291 64 A C -1.606 175.984 177.584 0.010 0.000 1.075 64 A CA -0.470 51.572 52.037 0.009 0.000 0.671 64 A CB 1.033 20.038 19.000 0.009 0.000 1.277 64 A HN -0.206 nan 8.150 nan 0.000 0.417 65 V N 0.935 120.855 119.914 0.010 0.000 2.417 65 V HA 0.521 4.641 4.120 0.000 0.000 0.291 65 V C -0.341 175.759 176.094 0.010 0.000 1.024 65 V CA -0.508 61.799 62.300 0.011 0.000 0.861 65 V CB 1.516 33.346 31.823 0.012 0.000 0.985 65 V HN 0.714 nan 8.190 nan 0.000 0.436 66 V N 6.027 125.947 119.914 0.010 0.000 2.472 66 V HA 0.511 4.631 4.120 0.000 0.000 0.290 66 V C 0.152 176.252 176.094 0.009 0.000 1.037 66 V CA -0.717 61.588 62.300 0.009 0.000 0.908 66 V CB 1.757 33.585 31.823 0.008 0.000 0.985 66 V HN 0.784 nan 8.190 nan 0.000 0.454 67 R N 5.186 125.691 120.500 0.008 0.000 2.312 67 R HA 0.353 4.693 4.340 0.000 0.000 0.310 67 R C -2.702 173.602 176.300 0.006 0.000 1.064 67 R CA -1.507 54.598 56.100 0.008 0.000 0.983 67 R CB 1.719 32.023 30.300 0.007 0.000 1.139 67 R HN 0.500 nan 8.270 nan 0.000 0.536 68 P HA 0.037 nan 4.420 nan 0.000 0.287 68 P C 0.722 178.023 177.300 0.002 0.000 1.281 68 P CA -0.303 62.799 63.100 0.004 0.000 0.781 68 P CB 1.707 33.411 31.700 0.007 0.000 0.903 69 V N 0.857 120.770 119.914 -0.001 0.000 3.636 69 V HA 0.500 4.620 4.120 0.000 0.000 0.279 69 V C 0.766 176.854 176.094 -0.010 0.000 1.263 69 V CA 0.594 62.890 62.300 -0.007 0.000 1.182 69 V CB -1.095 30.723 31.823 -0.009 0.000 0.955 69 V HN 0.817 nan 8.190 nan 0.000 0.443 70 G N -0.632 108.167 108.800 -0.002 0.000 2.324 70 G HA2 0.315 4.275 3.960 0.000 0.000 0.293 70 G HA3 0.315 4.275 3.960 0.000 0.000 0.293 70 G C -2.809 172.099 174.900 0.013 0.000 1.297 70 G CA 0.016 45.118 45.100 0.003 0.000 0.853 70 G HN 0.022 nan 8.290 nan 0.000 0.535 71 P HA -0.053 nan 4.420 nan 0.000 0.218 71 P C 1.480 178.786 177.300 0.010 0.000 1.148 71 P CA 1.385 64.496 63.100 0.018 0.000 0.822 71 P CB 0.350 32.065 31.700 0.025 0.000 0.784 72 E N 0.174 120.379 120.200 0.007 0.000 2.072 72 E HA -0.183 4.167 4.350 0.000 0.000 0.191 72 E C 1.337 177.939 176.600 0.004 0.000 0.985 72 E CA 1.305 57.708 56.400 0.005 0.000 0.801 72 E CB -0.640 29.061 29.700 0.003 0.000 0.750 72 E HN 0.127 nan 8.360 nan 0.000 0.452 73 D N 0.263 120.665 120.400 0.004 0.000 2.178 73 D HA -0.101 4.539 4.640 0.000 0.000 0.201 73 D C 2.015 178.319 176.300 0.005 0.000 0.980 73 D CA 0.778 54.781 54.000 0.004 0.000 0.842 73 D CB -0.117 40.685 40.800 0.003 0.000 0.948 73 D HN 0.307 nan 8.370 nan 0.000 0.472 74 I N 0.426 120.999 120.570 0.006 0.000 2.333 74 I HA -0.144 4.026 4.170 0.000 0.000 0.246 74 I C 2.338 178.459 176.117 0.005 0.000 1.106 74 I CA 0.724 62.028 61.300 0.006 0.000 1.411 74 I CB -0.162 37.843 38.000 0.007 0.000 1.082 74 I HN -0.073 nan 8.210 nan 0.000 0.420 75 A N 1.001 123.824 122.820 0.005 0.000 1.972 75 A HA -0.087 4.233 4.320 0.000 0.000 0.219 75 A C 2.393 179.979 177.584 0.004 0.000 1.169 75 A CA 1.721 53.760 52.037 0.004 0.000 0.635 75 A CB -1.276 17.727 19.000 0.004 0.000 0.810 75 A HN 0.461 nan 8.150 nan 0.000 0.446 76 G N -0.348 108.454 108.800 0.004 0.000 2.421 76 G HA2 0.005 3.965 3.960 0.000 0.000 0.216 76 G HA3 0.005 3.965 3.960 0.000 0.000 0.216 76 G C 1.764 176.666 174.900 0.004 0.000 1.171 76 G CA 1.410 46.512 45.100 0.003 0.000 0.775 76 G HN 0.748 nan 8.290 nan 0.000 0.543 77 A N 0.218 123.041 122.820 0.005 0.000 1.865 77 A HA 0.018 4.338 4.320 0.000 0.000 0.217 77 A C 2.631 180.218 177.584 0.005 0.000 1.191 77 A CA 2.026 54.066 52.037 0.005 0.000 0.623 77 A CB -0.890 18.114 19.000 0.006 0.000 0.826 77 A HN 0.269 nan 8.150 nan 0.000 0.444 78 V N 0.322 120.239 119.914 0.004 0.000 2.252 78 V HA -0.339 3.781 4.120 0.000 0.000 0.249 78 V C 2.505 178.601 176.094 0.003 0.000 1.056 78 V CA 2.551 64.853 62.300 0.003 0.000 1.022 78 V CB -0.766 31.059 31.823 0.004 0.000 0.641 78 V HN 0.570 nan 8.190 nan 0.000 0.445 79 K N -0.028 120.374 120.400 0.003 0.000 2.103 79 K HA -0.178 4.142 4.320 0.000 0.000 0.207 79 K C 2.276 178.877 176.600 0.002 0.000 1.048 79 K CA 1.455 57.743 56.287 0.002 0.000 0.930 79 K CB -0.448 32.054 32.500 0.002 0.000 0.716 79 K HN 0.506 nan 8.250 nan 0.000 0.444 80 A N 1.546 124.368 122.820 0.003 0.000 1.908 80 A HA -0.154 4.166 4.320 0.000 0.000 0.218 80 A C 2.370 179.957 177.584 0.004 0.000 1.181 80 A CA 1.930 53.969 52.037 0.003 0.000 0.627 80 A CB -0.636 18.367 19.000 0.004 0.000 0.818 80 A HN 0.350 nan 8.150 nan 0.000 0.445 81 A N -0.446 122.376 122.820 0.004 0.000 1.930 81 A HA 0.037 4.357 4.320 0.000 0.000 0.217 81 A C 2.094 179.680 177.584 0.002 0.000 1.175 81 A CA 1.333 53.372 52.037 0.004 0.000 0.627 81 A CB -0.527 18.475 19.000 0.004 0.000 0.815 81 A HN 0.468 nan 8.150 nan 0.000 0.443 82 L N -1.311 119.913 121.223 0.000 0.000 2.275 82 L HA -0.103 4.237 4.340 0.000 0.000 0.215 82 L C 2.660 179.529 176.870 -0.001 0.000 1.119 82 L CA 0.990 55.829 54.840 -0.002 0.000 0.790 82 L CB -0.281 41.776 42.059 -0.003 0.000 0.919 82 L HN 0.349 nan 8.230 nan 0.000 0.443 83 R N -0.704 119.796 120.500 0.000 0.000 2.237 83 R HA 0.062 4.402 4.340 0.000 0.000 0.195 83 R C 1.309 177.610 176.300 0.002 0.000 0.956 83 R CA 0.274 56.374 56.100 0.001 0.000 1.029 83 R CB 0.240 30.540 30.300 0.001 0.000 0.972 83 R HN 0.328 nan 8.270 nan 0.000 0.493 84 S N 0.256 115.958 115.700 0.003 0.000 2.608 84 S HA 0.032 4.502 4.470 0.000 0.000 0.261 84 S C 0.576 175.179 174.600 0.006 0.000 1.314 84 S CA -0.553 57.651 58.200 0.005 0.000 0.992 84 S CB 1.099 64.303 63.200 0.006 0.000 0.935 84 S HN 0.014 nan 8.310 nan 0.000 0.564 85 D N 0.584 120.989 120.400 0.008 0.000 2.216 85 D HA 0.079 4.719 4.640 0.000 0.000 0.208 85 D C 1.171 177.478 176.300 0.012 0.000 0.960 85 D CA 1.013 55.018 54.000 0.009 0.000 0.861 85 D CB 0.090 40.896 40.800 0.009 0.000 0.985 85 D HN 0.647 nan 8.370 nan 0.000 0.493 86 K N -0.334 120.073 120.400 0.013 0.000 2.529 86 K HA 0.233 4.553 4.320 0.000 0.000 0.215 86 K C 0.523 177.133 176.600 0.017 0.000 1.286 86 K CA -0.141 56.156 56.287 0.016 0.000 0.997 86 K CB 1.432 33.942 32.500 0.017 0.000 1.063 86 K HN -0.060 nan 8.250 nan 0.000 0.590 87 L N 2.775 124.006 121.223 0.014 0.000 2.483 87 L HA 0.024 4.364 4.340 0.000 0.000 0.276 87 L C 0.907 177.785 176.870 0.014 0.000 1.213 87 L CA 0.369 55.217 54.840 0.014 0.000 0.843 87 L CB 0.239 42.305 42.059 0.011 0.000 1.107 87 L HN 0.247 nan 8.230 nan 0.000 0.487 88 T N -0.581 113.982 114.554 0.016 0.000 2.768 88 T HA 0.790 5.140 4.350 0.000 0.000 0.268 88 T C -0.462 174.245 174.700 0.012 0.000 0.969 88 T CA -0.804 61.305 62.100 0.016 0.000 1.008 88 T CB 1.922 70.803 68.868 0.023 0.000 1.371 88 T HN 0.247 nan 8.240 nan 0.000 0.587 89 V N 0.052 119.972 119.914 0.011 0.000 2.737 89 V HA 0.721 4.841 4.120 0.000 0.000 0.298 89 V C -0.832 175.268 176.094 0.010 0.000 1.163 89 V CA -0.927 61.378 62.300 0.009 0.000 0.925 89 V CB 1.153 32.979 31.823 0.005 0.000 1.037 89 V HN 1.401 nan 8.190 nan 0.000 0.433 90 A N 3.370 126.198 122.820 0.013 0.000 2.353 90 A HA 0.951 5.271 4.320 0.000 0.000 0.299 90 A C 0.017 177.610 177.584 0.016 0.000 1.089 90 A CA -0.087 51.960 52.037 0.016 0.000 0.736 90 A CB 1.485 20.498 19.000 0.021 0.000 1.195 90 A HN 1.633 nan 8.150 nan 0.000 0.447 91 A N 2.441 125.271 122.820 0.016 0.000 2.388 91 A HA 0.630 4.950 4.320 0.000 0.000 0.257 91 A C 0.539 178.138 177.584 0.024 0.000 1.095 91 A CA -0.273 51.775 52.037 0.019 0.000 0.791 91 A CB 0.249 19.261 19.000 0.018 0.000 1.029 91 A HN 0.927 nan 8.150 nan 0.000 0.489 92 R N 1.736 122.251 120.500 0.024 0.000 2.589 92 R HA 0.548 4.888 4.340 0.000 0.000 0.293 92 R C 0.544 176.865 176.300 0.035 0.000 0.963 92 R CA 0.164 56.281 56.100 0.029 0.000 0.905 92 R CB 1.567 31.882 30.300 0.025 0.000 1.144 92 R HN 0.767 nan 8.270 nan 0.000 0.459 93 G N 1.741 110.570 108.800 0.047 0.000 2.529 93 G HA2 -0.086 3.874 3.960 0.000 0.000 0.220 93 G HA3 -0.086 3.874 3.960 0.000 0.000 0.220 93 G C 0.668 175.611 174.900 0.073 0.000 1.976 93 G CA 0.067 45.201 45.100 0.057 0.000 0.789 93 G HN 0.663 nan 8.290 nan 0.000 0.695 94 N N -1.232 117.531 118.700 0.106 0.000 2.197 94 N HA 0.283 5.023 4.740 0.000 0.000 0.201 94 N C 1.357 176.931 175.510 0.108 0.000 1.148 94 N CA 1.060 54.194 53.050 0.140 0.000 0.883 94 N CB 0.559 39.185 38.487 0.231 0.000 1.012 94 N HN 0.638 nan 8.380 nan 0.000 0.507 95 G N 0.079 108.914 108.800 0.059 0.000 2.199 95 G HA2 -0.302 3.658 3.960 0.000 0.000 0.254 95 G HA3 -0.302 3.658 3.960 0.000 0.000 0.254 95 G C 0.685 175.525 174.900 -0.101 0.000 0.982 95 G CA 0.357 45.451 45.100 -0.010 0.000 0.632 95 G HN 0.485 nan 8.290 nan 0.000 0.529 96 H N 0.804 119.846 119.070 -0.046 0.000 2.518 96 H HA 0.004 4.560 4.556 0.000 0.000 0.294 96 H C 2.115 177.331 175.328 -0.187 0.000 1.083 96 H CA 1.490 57.425 56.048 -0.189 0.000 1.264 96 H CB -0.086 29.509 29.762 -0.278 0.000 1.370 96 H HN 0.540 nan 8.280 nan 0.000 0.560 97 S N -0.311 115.340 115.700 -0.082 0.000 2.563 97 S HA -0.038 4.432 4.470 0.000 0.000 0.269 97 S C 1.626 176.149 174.600 -0.128 0.000 1.364 97 S CA -0.440 57.700 58.200 -0.099 0.000 1.010 97 S CB 0.416 63.577 63.200 -0.065 0.000 0.877 97 S HN 0.147 nan 8.310 nan 0.000 0.549 98 I N 2.413 122.900 120.570 -0.138 0.000 2.927 98 I HA 0.118 4.288 4.170 0.000 0.000 0.268 98 I C 1.035 177.055 176.117 -0.161 0.000 1.153 98 I CA 0.939 62.160 61.300 -0.132 0.000 1.459 98 I CB -1.351 36.594 38.000 -0.093 0.000 1.149 98 I HN 0.607 nan 8.210 nan 0.000 0.443 99 N N 0.174 118.731 118.700 -0.239 0.000 2.238 99 N HA 0.319 5.059 4.740 0.000 0.000 0.235 99 N C 0.780 176.076 175.510 -0.357 0.000 1.209 99 N CA 0.541 53.342 53.050 -0.416 0.000 0.879 99 N CB 1.143 39.074 38.487 -0.927 0.000 1.136 99 N HN 0.292 nan 8.380 nan 0.000 0.517 100 G N 0.976 109.668 108.800 -0.179 0.000 2.142 100 G HA2 -0.294 3.666 3.960 0.000 0.000 0.225 100 G HA3 -0.294 3.666 3.960 0.000 0.000 0.225 100 G C 0.767 175.648 174.900 -0.032 0.000 1.015 100 G CA -0.048 45.000 45.100 -0.086 0.000 0.716 100 G HN 0.239 nan 8.290 nan 0.000 0.508 101 Q N -0.188 119.595 119.800 -0.028 0.000 2.291 101 Q HA 0.464 4.804 4.340 0.000 0.000 0.205 101 Q C 1.942 177.962 176.000 0.034 0.000 0.970 101 Q CA 1.637 57.461 55.803 0.034 0.000 0.876 101 Q CB -0.022 28.744 28.738 0.047 0.000 0.935 101 Q HN 1.131 nan 8.270 nan 0.000 0.455 105 E N 1.398 121.615 120.200 0.030 0.000 2.498 105 E HA 0.378 4.728 4.350 0.000 0.000 0.252 105 E C 1.477 178.091 176.600 0.024 0.000 1.025 105 E CA 1.953 58.369 56.400 0.027 0.000 0.938 105 E CB 0.102 29.821 29.700 0.032 0.000 0.947 105 E HN 2.056 nan 8.360 nan 0.000 0.478 106 G N 2.936 111.747 108.800 0.019 0.000 2.186 106 G HA2 -0.287 3.673 3.960 0.000 0.000 0.266 106 G HA3 -0.287 3.673 3.960 0.000 0.000 0.266 106 G C 0.591 175.501 174.900 0.017 0.000 0.982 106 G CA 0.572 45.682 45.100 0.017 0.000 0.670 106 G HN 0.877 nan 8.290 nan 0.000 0.533 107 G N -1.160 107.651 108.800 0.018 0.000 3.019 107 G HA2 0.721 4.681 3.960 0.000 0.000 0.152 107 G HA3 0.721 4.681 3.960 0.000 0.000 0.152 107 G C -0.262 174.647 174.900 0.014 0.000 1.320 107 G CA -0.814 44.296 45.100 0.016 0.000 1.013 107 G HN 0.653 nan 8.290 nan 0.000 0.593 108 L N -0.032 121.199 121.223 0.013 0.000 2.346 108 L HA 0.596 4.936 4.340 0.000 0.000 0.274 108 L C -0.828 176.050 176.870 0.013 0.000 1.007 108 L CA -0.921 53.927 54.840 0.012 0.000 0.818 108 L CB 2.374 44.439 42.059 0.010 0.000 1.284 108 L HN 0.088 nan 8.230 nan 0.000 0.424 109 V N 3.267 123.188 119.914 0.013 0.000 2.448 109 V HA 0.361 4.481 4.120 0.000 0.000 0.295 109 V C -0.142 175.960 176.094 0.013 0.000 1.025 109 V CA -0.669 61.639 62.300 0.014 0.000 0.859 109 V CB 2.218 34.049 31.823 0.014 0.000 0.988 109 V HN 0.411 nan 8.190 nan 0.000 0.431 110 V N 4.233 124.155 119.914 0.013 0.000 2.348 110 V HA 0.291 4.411 4.120 0.000 0.000 0.270 110 V C 0.161 176.264 176.094 0.015 0.000 1.037 110 V CA -0.362 61.946 62.300 0.013 0.000 0.872 110 V CB 1.268 33.098 31.823 0.011 0.000 1.002 110 V HN 0.893 nan 8.190 nan 0.000 0.464 114 T N 1.363 115.922 114.554 0.009 0.000 3.252 114 T HA 0.277 4.627 4.350 0.000 0.000 0.250 114 T C 1.175 175.876 174.700 0.001 0.000 1.123 114 T CA 1.087 63.189 62.100 0.005 0.000 1.006 114 T CB -0.351 68.520 68.868 0.005 0.000 0.992 114 T HN 0.807 nan 8.240 nan 0.000 0.547 115 T N -3.527 111.029 114.554 0.003 0.000 3.111 115 T HA 0.619 4.969 4.350 0.000 0.000 0.284 115 T C 1.932 176.637 174.700 0.009 0.000 0.983 115 T CA 0.222 62.324 62.100 0.005 0.000 0.900 115 T CB 0.057 68.936 68.868 0.017 0.000 1.132 115 T HN 0.276 nan 8.240 nan 0.000 0.531 116 A N 2.248 125.070 122.820 0.002 0.000 1.908 116 A HA -0.042 4.278 4.320 0.000 0.000 0.218 116 A C 2.101 179.690 177.584 0.009 0.000 1.181 116 A CA 1.168 53.204 52.037 -0.001 0.000 0.627 116 A CB -0.332 18.663 19.000 -0.009 0.000 0.818 116 A HN 0.436 nan 8.150 nan 0.000 0.445 117 E N 0.320 120.519 120.200 -0.001 0.000 2.437 117 E HA 0.032 4.382 4.350 0.000 0.000 0.189 117 E C 0.430 177.022 176.600 -0.013 0.000 1.054 117 E CA -0.116 56.284 56.400 -0.000 0.000 0.874 117 E CB -0.219 29.471 29.700 -0.016 0.000 1.011 117 E HN 0.533 nan 8.360 nan 0.000 0.474 118 N N 0.584 119.260 118.700 -0.039 0.000 2.512 118 N HA -0.060 4.680 4.740 0.000 0.000 0.183 118 N C 0.030 175.318 175.510 -0.370 0.000 1.073 118 N CA 0.777 53.718 53.050 -0.181 0.000 0.911 118 N CB 0.167 38.536 38.487 -0.196 0.000 0.964 118 N HN 0.271 nan 8.380 nan 0.000 0.447 119 H N -1.444 117.657 119.070 0.051 0.000 2.974 119 H HA 0.284 4.840 4.556 0.000 0.000 0.366 119 H C -1.456 173.965 175.328 0.155 0.000 1.155 119 H CA -0.599 55.486 56.048 0.061 0.000 1.186 119 H CB 1.543 31.308 29.762 0.004 0.000 1.799 119 H HN -0.092 nan 8.280 nan 0.000 0.541 120 F N 2.416 122.425 119.950 0.097 0.000 3.613 120 F HA 0.091 4.618 4.527 0.000 0.000 0.422 120 F C -1.262 174.543 175.800 0.009 0.000 1.068 120 F CA -0.225 57.789 58.000 0.023 0.000 1.450 120 F CB 0.677 39.676 39.000 -0.001 0.000 2.555 120 F HN 0.386 nan 8.300 nan 0.000 0.763 121 E N 4.515 124.558 120.200 -0.262 0.000 2.255 121 E HA 0.442 4.792 4.350 0.000 0.000 0.256 121 E C -1.607 174.786 176.600 -0.346 0.000 0.887 121 E CA -0.359 55.935 56.400 -0.176 0.000 0.782 121 E CB 2.181 31.903 29.700 0.037 0.000 1.214 121 E HN 0.267 nan 8.360 nan 0.000 0.417 122 V N 2.982 122.555 119.914 -0.568 0.000 2.509 122 V HA 0.694 4.814 4.120 0.000 0.000 0.284 122 V C 0.676 176.152 176.094 -1.029 0.000 1.047 122 V CA -0.147 61.622 62.300 -0.885 0.000 0.952 122 V CB 1.532 32.871 31.823 -0.806 0.000 0.988 122 V HN 0.689 nan 8.190 nan 0.000 0.469 123 G N 2.756 110.429 108.800 -1.877 0.000 2.612 123 G HA2 0.630 4.590 3.960 0.000 0.000 0.298 123 G HA3 0.630 4.590 3.960 0.000 0.000 0.298 123 G C -1.807 172.421 174.900 -1.119 0.000 1.336 123 G CA -0.524 43.759 45.100 -1.362 0.000 0.953 123 G HN 0.407 nan 8.290 nan 0.000 0.482 124 Y N -0.420 119.723 120.300 -0.261 0.000 2.335 124 Y HA 0.594 5.144 4.550 0.000 0.000 0.323 124 Y C 0.040 175.940 175.900 0.001 0.000 1.224 124 Y CA -0.612 57.421 58.100 -0.112 0.000 1.241 124 Y CB 1.792 40.211 38.460 -0.070 0.000 1.235 124 Y HN 0.190 nan 8.280 nan 0.000 0.492 125 L N 1.575 122.902 121.223 0.174 0.000 2.345 125 L HA 0.280 4.620 4.340 0.000 0.000 0.274 125 L C 0.824 177.757 176.870 0.105 0.000 0.999 125 L CA -0.218 54.700 54.840 0.129 0.000 0.849 125 L CB 1.430 43.551 42.059 0.103 0.000 1.220 125 L HN 0.755 nan 8.230 nan 0.000 0.422 126 S N 0.158 115.909 115.700 0.085 0.000 2.522 126 S HA -0.018 4.452 4.470 0.000 0.000 0.227 126 S C 1.486 176.112 174.600 0.042 0.000 0.986 126 S CA 0.407 58.640 58.200 0.055 0.000 0.929 126 S CB -0.199 63.026 63.200 0.041 0.000 0.769 126 S HN 0.696 nan 8.310 nan 0.000 0.529 127 G N 1.371 110.198 108.800 0.044 0.000 3.229 127 G HA2 0.432 4.392 3.960 0.000 0.000 0.214 127 G HA3 0.432 4.392 3.960 0.000 0.000 0.214 127 G C 0.921 175.840 174.900 0.033 0.000 1.256 127 G CA -0.027 45.093 45.100 0.033 0.000 1.042 127 G HN 1.017 nan 8.290 nan 0.000 0.497 128 G N -0.097 108.724 108.800 0.035 0.000 2.682 128 G HA2 -0.074 3.886 3.960 0.000 0.000 0.256 128 G HA3 -0.074 3.886 3.960 0.000 0.000 0.256 128 G C 0.361 175.283 174.900 0.036 0.000 1.333 128 G CA 0.481 45.601 45.100 0.034 0.000 0.904 128 G HN 1.221 nan 8.290 nan 0.000 0.569 129 D N -2.105 118.318 120.400 0.038 0.000 4.344 129 D HA 0.026 4.666 4.640 0.000 0.000 0.144 129 D C 1.175 177.485 176.300 0.017 0.000 0.730 129 D CA 3.639 57.663 54.000 0.040 0.000 1.156 129 D CB -1.447 39.378 40.800 0.042 0.000 0.570 129 D HN 2.158 nan 8.370 nan 0.000 0.533 130 A N -1.050 121.770 122.820 0.000 0.000 2.386 130 A HA 0.513 4.833 4.320 0.000 0.000 0.248 130 A C 1.377 178.969 177.584 0.013 0.000 1.082 130 A CA 0.989 53.011 52.037 -0.025 0.000 0.789 130 A CB 0.620 19.600 19.000 -0.033 0.000 1.025 130 A HN 0.501 nan 8.150 nan 0.000 0.490 131 T N 0.918 115.480 114.554 0.013 0.000 2.735 131 T HA 0.357 4.707 4.350 0.000 0.000 0.256 131 T C 1.017 175.755 174.700 0.062 0.000 1.042 131 T CA 1.513 63.651 62.100 0.064 0.000 1.147 131 T CB -0.162 68.751 68.868 0.075 0.000 0.865 131 T HN 1.129 nan 8.240 nan 0.000 0.421 132 A N 0.661 123.445 122.820 -0.060 0.000 2.548 132 A HA 0.812 5.132 4.320 0.000 0.000 0.282 132 A C -1.646 175.841 177.584 -0.161 0.000 1.288 132 A CA -0.946 50.926 52.037 -0.275 0.000 0.748 132 A CB 0.864 19.512 19.000 -0.586 0.000 1.339 132 A HN 0.410 nan 8.150 nan 0.000 0.475 133 F N -2.691 117.084 119.950 -0.292 0.000 2.711 133 F HA 0.746 5.273 4.527 0.000 0.000 0.313 133 F C -1.232 174.357 175.800 -0.351 0.000 1.141 133 F CA -1.351 56.495 58.000 -0.257 0.000 0.941 133 F CB 1.590 40.467 39.000 -0.206 0.000 1.349 133 F HN 0.664 nan 8.300 nan 0.000 0.464 134 V N 2.424 122.353 119.914 0.025 0.000 2.385 134 V HA 0.360 4.480 4.120 0.000 0.000 0.277 134 V C -1.118 174.937 176.094 -0.065 0.000 1.012 134 V CA -0.435 61.720 62.300 -0.241 0.000 0.832 134 V CB 0.580 32.048 31.823 -0.592 0.000 1.028 134 V HN 0.798 nan 8.190 nan 0.000 0.436 135 D N 4.836 125.293 120.400 0.095 0.000 2.451 135 D HA 0.228 4.868 4.640 0.000 0.000 0.254 135 D C 0.197 176.420 176.300 -0.128 0.000 1.204 135 D CA 0.954 54.899 54.000 -0.093 0.000 0.896 135 D CB 1.377 42.119 40.800 -0.097 0.000 1.136 135 D HN 0.649 nan 8.370 nan 0.000 0.499 136 V N -0.261 119.563 119.914 -0.150 0.000 3.074 136 V HA 0.589 4.709 4.120 0.000 0.000 0.314 136 V C 0.227 176.268 176.094 -0.088 0.000 1.117 136 V CA -1.098 61.159 62.300 -0.071 0.000 1.014 136 V CB 1.940 33.699 31.823 -0.107 0.000 1.057 136 V HN 0.376 nan 8.190 nan 0.000 0.438 137 S N 1.242 116.961 115.700 0.032 0.000 2.572 137 S HA 0.390 4.861 4.470 0.000 0.000 0.279 137 S C 1.481 176.040 174.600 -0.068 0.000 1.341 137 S CA 0.324 58.555 58.200 0.052 0.000 1.043 137 S CB 0.847 64.108 63.200 0.101 0.000 0.887 137 S HN 1.656 nan 8.310 nan 0.000 0.516 138 G N 2.648 111.416 108.800 -0.054 0.000 2.509 138 G HA2 0.014 3.974 3.960 0.000 0.000 0.218 138 G HA3 0.014 3.974 3.960 0.000 0.000 0.218 138 G C 1.077 175.938 174.900 -0.065 0.000 1.124 138 G CA 0.503 45.561 45.100 -0.070 0.000 0.776 138 G HN 0.899 nan 8.290 nan 0.000 0.547 139 G N -0.114 108.661 108.800 -0.042 0.000 2.939 139 G HA2 0.430 4.390 3.960 0.000 0.000 0.210 139 G HA3 0.430 4.390 3.960 0.000 0.000 0.210 139 G C 0.776 175.638 174.900 -0.062 0.000 1.160 139 G CA 0.615 45.695 45.100 -0.034 0.000 0.770 139 G HN 0.625 nan 8.290 nan 0.000 0.543 140 A N 0.213 122.966 122.820 -0.110 0.000 2.407 140 A HA 0.605 4.925 4.320 0.000 0.000 0.248 140 A C 0.103 177.554 177.584 -0.222 0.000 1.082 140 A CA -0.246 51.708 52.037 -0.139 0.000 0.785 140 A CB 0.384 19.295 19.000 -0.149 0.000 1.020 140 A HN 0.248 nan 8.150 nan 0.000 0.489 141 L N 1.125 122.267 121.223 -0.134 0.000 2.350 141 L HA 0.136 4.476 4.340 0.000 0.000 0.275 141 L C 0.613 177.429 176.870 -0.090 0.000 1.099 141 L CA -0.266 54.519 54.840 -0.092 0.000 0.808 141 L CB 1.010 43.069 42.059 -0.000 0.000 1.149 141 L HN 1.038 nan 8.230 nan 0.000 0.442 142 W N 0.652 122.001 121.300 0.082 0.000 2.363 142 W HA -0.168 4.492 4.660 0.000 0.000 0.296 142 W C 2.310 178.934 176.519 0.175 0.000 1.212 142 W CA 0.963 58.407 57.345 0.165 0.000 1.260 142 W CB 0.089 29.688 29.460 0.231 0.000 1.131 142 W HN 0.668 nan 8.180 nan 0.000 0.530 143 E N 0.542 120.892 120.200 0.250 0.000 2.072 143 E HA -0.224 4.126 4.350 0.000 0.000 0.191 143 E C 1.572 178.230 176.600 0.096 0.000 0.985 143 E CA 1.712 58.176 56.400 0.107 0.000 0.801 143 E CB -0.225 29.459 29.700 -0.026 0.000 0.750 143 E HN 0.119 nan 8.360 nan 0.000 0.452 144 D N 0.248 120.689 120.400 0.070 0.000 2.144 144 D HA -0.129 4.511 4.640 0.000 0.000 0.199 144 D C 2.111 178.454 176.300 0.071 0.000 0.984 144 D CA 0.939 54.960 54.000 0.037 0.000 0.834 144 D CB -0.000 40.801 40.800 0.003 0.000 0.955 144 D HN 0.141 nan 8.370 nan 0.000 0.465 145 V N 1.406 121.402 119.914 0.135 0.000 2.295 145 V HA -0.229 3.891 4.120 0.000 0.000 0.246 145 V C 2.541 178.823 176.094 0.313 0.000 1.049 145 V CA 1.118 63.550 62.300 0.221 0.000 1.024 145 V CB -0.504 31.428 31.823 0.182 0.000 0.648 145 V HN 0.130 nan 8.190 nan 0.000 0.447 146 L N 0.270 121.724 121.223 0.385 0.000 2.013 146 L HA -0.221 4.120 4.340 0.000 0.000 0.212 146 L C 2.397 179.388 176.870 0.201 0.000 1.073 146 L CA 2.085 57.143 54.840 0.363 0.000 0.753 146 L CB -0.710 41.450 42.059 0.169 0.000 0.890 146 L HN 0.236 nan 8.230 nan 0.000 0.432 147 K N -0.880 119.590 120.400 0.116 0.000 2.002 147 K HA -0.201 4.119 4.320 0.000 0.000 0.209 147 K C 2.336 178.978 176.600 0.070 0.000 1.048 147 K CA 1.766 58.092 56.287 0.065 0.000 0.930 147 K CB -0.328 32.183 32.500 0.019 0.000 0.714 147 K HN 0.275 nan 8.250 nan 0.000 0.438 148 R N 0.772 121.292 120.500 0.033 0.000 2.073 148 R HA -0.143 4.197 4.340 0.000 0.000 0.234 148 R C 2.281 178.665 176.300 0.141 0.000 1.134 148 R CA 1.768 57.843 56.100 -0.042 0.000 0.952 148 R CB -0.452 29.641 30.300 -0.345 0.000 0.850 148 R HN 0.247 nan 8.270 nan 0.000 0.433 149 C N -0.383 119.079 119.300 0.269 0.000 2.413 149 C HA -0.065 4.395 4.460 0.000 0.000 0.276 149 C C 2.576 177.754 174.990 0.313 0.000 1.248 149 C CA 0.662 59.900 59.018 0.365 0.000 1.742 149 C CB -0.510 27.424 27.740 0.324 0.000 2.017 149 C HN 0.401 nan 8.230 nan 0.000 0.481 150 V N 0.702 120.757 119.914 0.234 0.000 2.535 150 V HA -0.046 4.074 4.120 0.000 0.000 0.246 150 V C 2.062 178.241 176.094 0.142 0.000 1.045 150 V CA 1.983 64.393 62.300 0.183 0.000 1.058 150 V CB -0.442 31.480 31.823 0.166 0.000 0.689 150 V HN 0.671 nan 8.190 nan 0.000 0.461 151 S N -0.395 115.378 115.700 0.121 0.000 2.768 151 S HA 0.125 4.595 4.470 0.000 0.000 0.246 151 S C 0.858 175.495 174.600 0.062 0.000 1.006 151 S CA 0.698 58.941 58.200 0.071 0.000 1.075 151 S CB -0.227 62.995 63.200 0.036 0.000 0.786 151 S HN 0.747 nan 8.310 nan 0.000 0.468 152 E N -0.896 119.369 120.200 0.109 0.000 2.228 152 E HA 0.058 4.408 4.350 0.000 0.000 0.170 152 E C -0.569 175.932 176.600 -0.165 0.000 0.895 152 E CA 0.045 56.442 56.400 -0.004 0.000 1.342 152 E CB 0.174 29.888 29.700 0.023 0.000 2.091 152 E HN 0.544 nan 8.360 nan 0.000 0.754 153 Y N -0.965 119.384 120.300 0.081 0.000 2.449 153 Y HA 0.325 4.875 4.550 0.000 0.000 0.278 153 Y C 1.170 177.109 175.900 0.066 0.000 1.066 153 Y CA 0.460 58.610 58.100 0.083 0.000 1.166 153 Y CB 1.799 40.322 38.460 0.105 0.000 1.346 153 Y HN 0.140 nan 8.280 nan 0.000 0.562 154 G N 1.527 110.449 108.800 0.202 0.000 2.198 154 G HA2 -0.260 3.700 3.960 0.000 0.000 0.257 154 G HA3 -0.260 3.700 3.960 0.000 0.000 0.257 154 G C -0.483 174.485 174.900 0.112 0.000 1.042 154 G CA 0.448 45.619 45.100 0.119 0.000 0.791 154 G HN 0.240 nan 8.290 nan 0.000 0.502 155 L N -0.923 120.388 121.223 0.147 0.000 2.409 155 L HA 0.893 5.233 4.340 0.000 0.000 0.262 155 L C 0.135 177.080 176.870 0.125 0.000 0.992 155 L CA -0.611 54.285 54.840 0.092 0.000 0.817 155 L CB 2.328 44.415 42.059 0.046 0.000 1.350 155 L HN 0.500 nan 8.230 nan 0.000 0.411 156 A N 2.624 125.517 122.820 0.121 0.000 2.539 156 A HA 0.926 5.246 4.320 0.000 0.000 0.296 156 A C -2.899 174.816 177.584 0.219 0.000 1.073 156 A CA -1.604 50.594 52.037 0.269 0.000 0.700 156 A CB 1.956 21.209 19.000 0.422 0.000 1.296 156 A HN 0.344 nan 8.150 nan 0.000 0.405 157 P HA 0.199 nan 4.420 nan 0.000 0.271 157 P C 0.277 177.562 177.300 -0.024 0.000 1.233 157 P CA -0.083 62.956 63.100 -0.102 0.000 0.789 157 P CB 0.438 31.844 31.700 -0.490 0.000 0.951 158 R N -0.935 119.448 120.500 -0.194 0.000 2.437 158 R HA 0.344 4.684 4.340 0.000 0.000 0.257 158 R C 0.109 176.395 176.300 -0.023 0.000 0.927 158 R CA -0.009 56.051 56.100 -0.068 0.000 1.078 158 R CB 0.344 30.383 30.300 -0.434 0.000 1.161 158 R HN 0.233 nan 8.270 nan 0.000 0.529 159 S N 0.239 115.742 115.700 -0.328 0.000 2.594 159 S HA 0.562 5.032 4.470 0.000 0.000 0.296 159 S C -1.747 172.487 174.600 -0.610 0.000 1.124 159 S CA -0.776 57.287 58.200 -0.228 0.000 1.011 159 S CB 0.736 63.828 63.200 -0.181 0.000 1.016 159 S HN 0.346 nan 8.310 nan 0.000 0.485 160 W N 1.264 122.494 121.300 -0.117 0.000 3.518 160 W HA 0.647 5.307 4.660 0.000 0.000 0.331 160 W C 0.265 176.672 176.519 -0.187 0.000 1.205 160 W CA -0.510 56.683 57.345 -0.253 0.000 0.956 160 W CB 0.509 29.883 29.460 -0.143 0.000 1.645 160 W HN 0.644 nan 8.180 nan 0.000 0.615 161 T N -2.671 111.947 114.554 0.107 0.000 2.926 161 T HA 0.318 4.668 4.350 0.000 0.000 0.289 161 T C -0.015 174.778 174.700 0.155 0.000 1.054 161 T CA -0.612 61.561 62.100 0.122 0.000 1.015 161 T CB 1.787 70.692 68.868 0.061 0.000 1.167 161 T HN 0.271 nan 8.240 nan 0.000 0.526 162 D N -0.711 119.798 120.400 0.182 0.000 2.137 162 D HA 0.022 4.662 4.640 0.000 0.000 0.202 162 D C 0.054 176.423 176.300 0.115 0.000 0.970 162 D CA 1.270 55.355 54.000 0.141 0.000 0.837 162 D CB -0.117 40.811 40.800 0.214 0.000 0.981 162 D HN 0.539 nan 8.370 nan 0.000 0.475 163 Y N 0.678 120.977 120.300 -0.002 0.000 2.313 163 Y HA 0.236 4.786 4.550 0.000 0.000 0.332 163 Y C 0.468 176.354 175.900 -0.023 0.000 1.071 163 Y CA -0.498 57.566 58.100 -0.059 0.000 1.169 163 Y CB 0.905 39.263 38.460 -0.169 0.000 1.192 163 Y HN -0.297 nan 8.280 nan 0.000 0.487 164 L N 4.732 125.654 121.223 -0.502 0.000 2.664 164 L HA 0.326 4.667 4.340 0.000 0.000 0.233 164 L C 1.704 178.408 176.870 -0.278 0.000 1.113 164 L CA 0.518 55.233 54.840 -0.208 0.000 0.896 164 L CB 0.141 42.123 42.059 -0.128 0.000 1.163 164 L HN 0.927 nan 8.230 nan 0.000 0.497 165 G N 0.675 108.930 108.800 -0.909 0.000 3.581 165 G HA2 0.434 4.394 3.960 0.000 0.000 0.255 165 G HA3 0.434 4.394 3.960 0.000 0.000 0.255 165 G C -0.065 174.847 174.900 0.020 0.000 1.121 165 G CA -0.031 44.791 45.100 -0.464 0.000 1.739 165 G HN 0.096 nan 8.290 nan 0.000 0.646 166 L N 0.174 121.475 121.223 0.130 0.000 2.371 166 L HA 0.550 4.890 4.340 0.000 0.000 0.262 166 L C 0.508 177.547 176.870 0.282 0.000 1.006 166 L CA -1.163 53.843 54.840 0.275 0.000 0.818 166 L CB 2.432 44.691 42.059 0.333 0.000 1.354 166 L HN 0.173 nan 8.230 nan 0.000 0.415 167 T N -2.130 112.542 114.554 0.196 0.000 2.874 167 T HA 0.329 4.679 4.350 0.000 0.000 0.281 167 T C 1.114 175.810 174.700 -0.007 0.000 0.994 167 T CA -0.763 61.356 62.100 0.031 0.000 1.015 167 T CB 1.772 70.652 68.868 0.020 0.000 1.028 167 T HN 0.239 nan 8.240 nan 0.000 0.523 168 V N 2.218 121.902 119.914 -0.384 0.000 2.295 168 V HA -0.022 4.098 4.120 0.000 0.000 0.246 168 V C 2.872 178.962 176.094 -0.005 0.000 1.049 168 V CA 2.438 64.473 62.300 -0.442 0.000 1.024 168 V CB -1.447 29.971 31.823 -0.676 0.000 0.648 168 V HN 1.122 nan 8.190 nan 0.000 0.447 169 G N -0.423 108.361 108.800 -0.026 0.000 2.422 169 G HA2 -0.081 3.879 3.960 0.000 0.000 0.218 169 G HA3 -0.081 3.879 3.960 0.000 0.000 0.218 169 G C 1.580 176.536 174.900 0.093 0.000 1.140 169 G CA 0.848 45.968 45.100 0.032 0.000 0.775 169 G HN 0.588 nan 8.290 nan 0.000 0.545 170 G N 0.729 109.597 108.800 0.114 0.000 2.404 170 G HA2 -0.154 3.806 3.960 0.000 0.000 0.215 170 G HA3 -0.154 3.806 3.960 0.000 0.000 0.215 170 G C 2.002 177.017 174.900 0.191 0.000 1.174 170 G CA 2.127 47.311 45.100 0.139 0.000 0.780 170 G HN 0.545 nan 8.290 nan 0.000 0.537 171 T N -0.454 114.273 114.554 0.289 0.000 2.942 171 T HA 0.118 4.468 4.350 0.000 0.000 0.265 171 T C 2.370 177.230 174.700 0.268 0.000 1.062 171 T CA 0.573 62.856 62.100 0.305 0.000 1.139 171 T CB -0.249 68.847 68.868 0.381 0.000 0.883 171 T HN 0.157 nan 8.240 nan 0.000 0.468 172 L N 1.148 122.524 121.223 0.256 0.000 2.456 172 L HA 0.082 4.422 4.340 0.000 0.000 0.224 172 L C 2.465 179.426 176.870 0.152 0.000 1.148 172 L CA 0.593 55.540 54.840 0.179 0.000 0.825 172 L CB -0.384 41.754 42.059 0.131 0.000 0.937 172 L HN 0.301 nan 8.230 nan 0.000 0.450 173 S N -0.768 115.031 115.700 0.164 0.000 2.593 173 S HA 0.059 4.529 4.470 0.000 0.000 0.217 173 S C 1.274 176.007 174.600 0.222 0.000 0.966 173 S CA 0.178 58.479 58.200 0.168 0.000 0.914 173 S CB 0.029 63.309 63.200 0.132 0.000 0.776 173 S HN 0.471 nan 8.310 nan 0.000 0.523 174 N N 0.271 119.121 118.700 0.250 0.000 2.984 174 N HA 0.374 5.114 4.740 0.000 0.000 0.235 174 N C 1.055 176.845 175.510 0.467 0.000 1.025 174 N CA 0.959 54.204 53.050 0.325 0.000 1.173 174 N CB 0.398 39.013 38.487 0.213 0.000 1.615 174 N HN 0.303 nan 8.380 nan 0.000 0.560 175 A N -0.671 122.432 122.820 0.472 0.000 1.475 175 A HA 0.417 4.737 4.320 0.000 0.000 0.201 175 A C 0.286 178.007 177.584 0.228 0.000 1.981 175 A CA 0.882 53.149 52.037 0.384 0.000 1.612 175 A CB -0.224 19.118 19.000 0.571 0.000 1.532 175 A HN 0.539 nan 8.150 nan 0.000 0.294 176 G N -0.066 108.933 108.800 0.330 0.000 2.828 176 G HA2 0.214 4.174 3.960 0.000 0.000 0.262 176 G HA3 0.214 4.174 3.960 0.000 0.000 0.262 176 G C -0.480 174.485 174.900 0.108 0.000 1.033 176 G CA -0.033 45.165 45.100 0.164 0.000 1.248 176 G HN 1.381 nan 8.290 nan 0.000 0.551 177 V N 1.616 121.666 119.914 0.226 0.000 2.628 177 V HA 0.971 5.091 4.120 0.000 0.000 0.306 177 V C 0.591 176.857 176.094 0.286 0.000 1.045 177 V CA 0.261 62.699 62.300 0.230 0.000 0.905 177 V CB 1.786 33.760 31.823 0.251 0.000 0.997 177 V HN 1.870 nan 8.190 nan 0.000 0.436 178 S N 2.381 118.265 115.700 0.306 0.000 2.755 178 S HA 0.508 4.978 4.470 0.000 0.000 0.286 178 S C 0.939 175.656 174.600 0.195 0.000 1.207 178 S CA 0.155 58.530 58.200 0.291 0.000 0.892 178 S CB 0.977 64.321 63.200 0.240 0.000 1.240 178 S HN 1.138 nan 8.310 nan 0.000 0.525 179 G N -0.004 108.747 108.800 -0.082 0.000 2.708 179 G HA2 0.100 4.060 3.960 0.000 0.000 0.210 179 G HA3 0.100 4.060 3.960 0.000 0.000 0.210 179 G C 0.728 175.678 174.900 0.084 0.000 1.141 179 G CA 0.583 45.453 45.100 -0.383 0.000 0.788 179 G HN 0.569 nan 8.290 nan 0.000 0.531 180 Q N -0.265 119.678 119.800 0.239 0.000 2.356 180 Q HA 0.445 4.785 4.340 0.000 0.000 0.205 180 Q C 2.432 178.487 176.000 0.092 0.000 0.901 180 Q CA 0.536 56.485 55.803 0.243 0.000 0.938 180 Q CB 0.356 29.310 28.738 0.360 0.000 1.081 180 Q HN 0.329 nan 8.270 nan 0.000 0.517 181 A N 0.470 123.389 122.820 0.165 0.000 2.070 181 A HA -0.149 4.171 4.320 0.000 0.000 0.220 181 A C 1.691 179.313 177.584 0.063 0.000 1.159 181 A CA 1.138 53.226 52.037 0.084 0.000 0.656 181 A CB -0.831 18.265 19.000 0.161 0.000 0.800 181 A HN 0.567 nan 8.150 nan 0.000 0.453 182 F N 0.001 119.971 119.950 0.033 0.000 2.293 182 F HA 0.034 4.561 4.527 0.000 0.000 0.300 182 F C 1.871 177.612 175.800 -0.099 0.000 1.086 182 F CA 1.467 59.453 58.000 -0.023 0.000 1.375 182 F CB -0.339 38.628 39.000 -0.055 0.000 1.045 182 F HN 0.160 nan 8.300 nan 0.000 0.516 183 R N -0.689 119.028 120.500 -1.306 0.000 2.146 183 R HA 0.092 4.432 4.340 0.000 0.000 0.206 183 R C 0.578 176.264 176.300 -1.024 0.000 1.049 183 R CA 1.264 56.564 56.100 -1.332 0.000 1.029 183 R CB -0.905 28.378 30.300 -1.696 0.000 0.949 183 R HN 0.360 nan 8.270 nan 0.000 0.471 184 Y N -0.310 119.809 120.300 -0.303 0.000 2.557 184 Y HA 0.507 5.057 4.550 0.000 0.000 0.247 184 Y C 0.538 176.324 175.900 -0.191 0.000 1.164 184 Y CA -0.144 57.843 58.100 -0.188 0.000 1.218 184 Y CB 0.845 39.221 38.460 -0.140 0.000 1.210 184 Y HN 0.318 nan 8.280 nan 0.000 0.529 185 G N 1.533 110.248 108.800 -0.142 0.000 2.814 185 G HA2 -0.192 3.768 3.960 0.000 0.000 0.677 185 G HA3 -0.192 3.768 3.960 0.000 0.000 0.677 185 G C -2.742 171.947 174.900 -0.351 0.000 1.429 185 G CA -0.866 44.033 45.100 -0.334 0.000 0.868 185 G HN 0.033 nan 8.290 nan 0.000 0.553 186 P HA 0.164 nan 4.420 nan 0.000 0.286 186 P C 0.707 177.835 177.300 -0.287 0.000 1.293 186 P CA 0.038 62.872 63.100 -0.444 0.000 0.770 186 P CB 0.492 31.739 31.700 -0.754 0.000 1.206 187 Q N -0.696 118.979 119.800 -0.208 0.000 2.167 187 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 187 Q C 1.955 177.898 176.000 -0.095 0.000 0.970 187 Q CA 2.234 57.928 55.803 -0.182 0.000 0.855 187 Q CB -0.949 27.665 28.738 -0.207 0.000 0.911 187 Q HN 0.615 nan 8.270 nan 0.000 0.438 188 T N -1.963 112.542 114.554 -0.082 0.000 2.929 188 T HA -0.061 4.289 4.350 0.000 0.000 0.271 188 T C 1.804 176.460 174.700 -0.074 0.000 1.085 188 T CA 1.276 63.342 62.100 -0.057 0.000 1.125 188 T CB -0.092 68.768 68.868 -0.012 0.000 0.874 188 T HN 0.003 nan 8.240 nan 0.000 0.494 189 S N 1.629 117.259 115.700 -0.117 0.000 2.593 189 S HA 0.163 4.633 4.470 0.000 0.000 0.217 189 S C 1.047 175.626 174.600 -0.034 0.000 0.966 189 S CA -0.242 57.916 58.200 -0.070 0.000 0.914 189 S CB -0.112 63.002 63.200 -0.144 0.000 0.776 189 S HN 0.562 nan 8.310 nan 0.000 0.523 190 N N 1.950 120.618 118.700 -0.054 0.000 2.467 190 N HA 0.195 4.935 4.740 0.000 0.000 0.278 190 N C -0.745 174.756 175.510 -0.015 0.000 1.306 190 N CA 0.139 53.160 53.050 -0.049 0.000 0.905 190 N CB 1.528 39.946 38.487 -0.114 0.000 1.236 190 N HN 0.205 nan 8.380 nan 0.000 0.509 191 V N -2.181 117.750 119.914 0.029 0.000 2.789 191 V HA 0.585 4.705 4.120 0.000 0.000 0.311 191 V C 0.910 177.092 176.094 0.147 0.000 1.073 191 V CA -0.745 61.591 62.300 0.059 0.000 0.921 191 V CB 1.477 33.336 31.823 0.059 0.000 1.009 191 V HN 0.116 nan 8.190 nan 0.000 0.426 192 T N -1.252 113.326 114.554 0.040 0.000 3.004 192 T HA 0.431 4.781 4.350 0.000 0.000 0.266 192 T C 0.155 174.678 174.700 -0.296 0.000 0.986 192 T CA 0.612 62.667 62.100 -0.075 0.000 0.902 192 T CB 0.116 68.891 68.868 -0.156 0.000 1.118 192 T HN 0.991 nan 8.240 nan 0.000 0.522 193 E N 0.180 120.295 120.200 -0.142 0.000 2.380 193 E HA 0.599 4.949 4.350 0.000 0.000 0.281 193 E C -2.159 174.419 176.600 -0.037 0.000 0.999 193 E CA -0.886 55.376 56.400 -0.231 0.000 0.800 193 E CB 1.634 31.136 29.700 -0.330 0.000 1.228 193 E HN 0.263 nan 8.360 nan 0.000 0.436 194 L N 2.070 123.290 121.223 -0.004 0.000 2.409 194 L HA 0.551 4.891 4.340 0.000 0.000 0.262 194 L C -1.120 175.706 176.870 -0.074 0.000 0.992 194 L CA -1.144 53.685 54.840 -0.018 0.000 0.817 194 L CB 2.197 44.286 42.059 0.051 0.000 1.350 194 L HN 0.474 nan 8.230 nan 0.000 0.411 195 D N 1.532 121.872 120.400 -0.100 0.000 2.193 195 D HA 0.612 5.252 4.640 0.000 0.000 0.244 195 D C -0.836 175.427 176.300 -0.062 0.000 1.064 195 D CA -0.068 53.881 54.000 -0.085 0.000 0.845 195 D CB 2.679 43.425 40.800 -0.090 0.000 1.148 195 D HN 0.044 nan 8.370 nan 0.000 0.464 196 V N 1.791 121.671 119.914 -0.058 0.000 2.841 196 V HA 0.327 4.447 4.120 0.000 0.000 0.310 196 V C -0.218 175.850 176.094 -0.043 0.000 1.090 196 V CA -0.915 61.352 62.300 -0.055 0.000 0.930 196 V CB 2.495 34.266 31.823 -0.087 0.000 1.014 196 V HN 0.247 nan 8.190 nan 0.000 0.425 197 V N 3.373 123.271 119.914 -0.028 0.000 2.294 197 V HA 0.359 4.479 4.120 0.000 0.000 0.272 197 V C 0.760 176.848 176.094 -0.010 0.000 1.027 197 V CA -0.288 62.004 62.300 -0.014 0.000 0.823 197 V CB 1.336 33.157 31.823 -0.004 0.000 1.030 197 V HN 1.103 nan 8.190 nan 0.000 0.457 198 T N 1.960 116.512 114.554 -0.004 0.000 2.726 198 T HA 0.251 4.601 4.350 0.000 0.000 0.294 198 T C 1.550 176.276 174.700 0.042 0.000 1.013 198 T CA 0.247 62.362 62.100 0.026 0.000 0.996 198 T CB 1.175 70.089 68.868 0.076 0.000 1.016 198 T HN 0.674 nan 8.240 nan 0.000 0.529 199 G N 0.080 108.920 108.800 0.067 0.000 2.708 199 G HA2 -0.099 3.861 3.960 0.000 0.000 0.210 199 G HA3 -0.099 3.861 3.960 0.000 0.000 0.210 199 G C 1.235 176.150 174.900 0.025 0.000 1.141 199 G CA -0.090 45.029 45.100 0.032 0.000 0.788 199 G HN 0.743 nan 8.290 nan 0.000 0.531 200 N N 0.261 118.987 118.700 0.044 0.000 2.373 200 N HA 0.080 4.820 4.740 0.000 0.000 0.181 200 N C 1.779 177.300 175.510 0.018 0.000 1.082 200 N CA 0.916 53.982 53.050 0.027 0.000 0.885 200 N CB 0.603 39.114 38.487 0.040 0.000 0.977 200 N HN 0.391 nan 8.380 nan 0.000 0.462 201 G N 0.854 109.666 108.800 0.019 0.000 2.176 201 G HA2 -0.200 3.760 3.960 0.000 0.000 0.232 201 G HA3 -0.200 3.760 3.960 0.000 0.000 0.232 201 G C -0.456 174.450 174.900 0.010 0.000 0.986 201 G CA -0.236 44.871 45.100 0.011 0.000 0.643 201 G HN 0.243 nan 8.290 nan 0.000 0.522 202 D N 0.599 121.008 120.400 0.016 0.000 2.389 202 D HA 0.403 5.043 4.640 0.000 0.000 0.247 202 D C 0.516 176.817 176.300 0.001 0.000 1.128 202 D CA 0.178 54.185 54.000 0.011 0.000 0.884 202 D CB 2.000 42.813 40.800 0.021 0.000 1.194 202 D HN 0.135 nan 8.370 nan 0.000 0.441 203 V N 2.949 122.861 119.914 -0.003 0.000 2.350 203 V HA 0.321 4.441 4.120 0.000 0.000 0.276 203 V C 0.452 176.536 176.094 -0.017 0.000 1.028 203 V CA -0.513 61.782 62.300 -0.009 0.000 0.860 203 V CB 1.383 33.204 31.823 -0.004 0.000 0.990 203 V HN 0.250 nan 8.190 nan 0.000 0.453 204 V N 3.344 123.240 119.914 -0.030 0.000 3.078 204 V HA 0.580 4.700 4.120 0.000 0.000 0.311 204 V C -0.048 176.010 176.094 -0.059 0.000 1.138 204 V CA -0.542 61.733 62.300 -0.042 0.000 1.007 204 V CB 2.844 34.641 31.823 -0.044 0.000 1.045 204 V HN 0.804 nan 8.190 nan 0.000 0.432 205 T N 2.351 116.863 114.554 -0.070 0.000 2.823 205 T HA 0.652 5.002 4.350 0.000 0.000 0.279 205 T C -0.502 174.132 174.700 -0.111 0.000 0.998 205 T CA -0.335 61.708 62.100 -0.094 0.000 0.994 205 T CB 0.954 69.760 68.868 -0.102 0.000 0.960 205 T HN 1.085 nan 8.240 nan 0.000 0.448 206 C N 1.345 120.568 119.300 -0.127 0.000 3.171 206 C HA 1.014 5.474 4.460 0.000 0.000 0.308 206 C C -0.167 174.601 174.990 -0.370 0.000 1.334 206 C CA -0.861 58.058 59.018 -0.166 0.000 1.473 206 C CB 1.030 28.725 27.740 -0.075 0.000 1.866 206 C HN 1.048 nan 8.230 nan 0.000 0.465 207 S N -0.626 114.669 115.700 -0.675 0.000 2.694 207 S HA 0.378 4.848 4.470 0.000 0.000 0.273 207 S C 0.295 174.203 174.600 -1.152 0.000 1.180 207 S CA 0.172 57.503 58.200 -1.448 0.000 0.864 207 S CB 0.997 63.715 63.200 -0.805 0.000 1.198 207 S HN 1.013 nan 8.310 nan 0.000 0.499 208 E N 0.061 119.672 120.200 -0.981 0.000 2.204 208 E HA -0.118 4.232 4.350 0.000 0.000 0.195 208 E C 1.643 178.163 176.600 -0.132 0.000 0.990 208 E CA 1.716 57.915 56.400 -0.336 0.000 0.821 208 E CB -0.412 29.268 29.700 -0.033 0.000 0.750 208 E HN 0.637 nan 8.360 nan 0.000 0.477 209 I N -1.818 118.626 120.570 -0.211 0.000 2.499 209 I HA 0.125 4.295 4.170 0.000 0.000 0.243 209 I C 1.154 177.206 176.117 -0.110 0.000 1.085 209 I CA 0.005 61.236 61.300 -0.115 0.000 1.422 209 I CB -0.230 37.703 38.000 -0.112 0.000 1.165 209 I HN -0.158 nan 8.210 nan 0.000 0.440 210 E N 2.096 122.198 120.200 -0.162 0.000 2.289 210 E HA 0.102 4.452 4.350 0.000 0.000 0.278 210 E C -0.490 176.041 176.600 -0.116 0.000 1.032 210 E CA -0.217 56.109 56.400 -0.124 0.000 0.854 210 E CB 0.131 29.749 29.700 -0.137 0.000 1.046 210 E HN 0.463 nan 8.360 nan 0.000 0.409 211 N N 2.611 121.279 118.700 -0.054 0.000 2.699 211 N HA -0.289 4.451 4.740 0.000 0.000 0.256 211 N C 0.603 176.104 175.510 -0.015 0.000 0.993 211 N CA 0.716 53.753 53.050 -0.021 0.000 0.759 211 N CB -0.739 37.720 38.487 -0.045 0.000 0.906 211 N HN 0.568 nan 8.380 nan 0.000 0.541 212 S N -0.622 115.090 115.700 0.020 0.000 2.368 212 S HA -0.231 4.239 4.470 0.000 0.000 0.225 212 S C 1.682 176.412 174.600 0.217 0.000 1.030 212 S CA 1.272 59.522 58.200 0.083 0.000 0.999 212 S CB -0.114 63.195 63.200 0.182 0.000 0.844 212 S HN 0.458 nan 8.310 nan 0.000 0.459 213 E N 1.113 121.447 120.200 0.223 0.000 2.160 213 E HA -0.082 4.268 4.350 0.000 0.000 0.195 213 E C 1.784 178.471 176.600 0.145 0.000 0.991 213 E CA 0.863 57.416 56.400 0.254 0.000 0.810 213 E CB -0.556 29.280 29.700 0.227 0.000 0.742 213 E HN 0.498 nan 8.360 nan 0.000 0.466 214 L N -0.347 120.853 121.223 -0.038 0.000 2.005 214 L HA -0.023 4.317 4.340 0.000 0.000 0.207 214 L C 2.057 178.750 176.870 -0.294 0.000 1.072 214 L CA 1.770 56.267 54.840 -0.572 0.000 0.744 214 L CB -1.076 40.581 42.059 -0.669 0.000 0.895 214 L HN 0.262 nan 8.230 nan 0.000 0.433 215 F N -0.006 119.751 119.950 -0.323 0.000 2.043 215 F HA -0.340 4.187 4.527 0.000 0.000 0.297 215 F C 2.098 177.702 175.800 -0.326 0.000 1.118 215 F CA 2.081 59.858 58.000 -0.372 0.000 1.202 215 F CB -0.732 37.951 39.000 -0.527 0.000 0.965 215 F HN 0.128 nan 8.300 nan 0.000 0.482 216 F N 0.144 120.055 119.950 -0.066 0.000 2.234 216 F HA -0.121 4.406 4.527 0.000 0.000 0.299 216 F C 2.670 178.395 175.800 -0.124 0.000 1.087 216 F CA 1.351 59.271 58.000 -0.135 0.000 1.340 216 F CB -1.334 37.673 39.000 0.011 0.000 1.031 216 F HN -0.082 nan 8.300 nan 0.000 0.500 217 S N -0.141 115.537 115.700 -0.036 0.000 2.355 217 S HA -0.130 4.340 4.470 0.000 0.000 0.222 217 S C 2.365 176.985 174.600 0.035 0.000 1.031 217 S CA 1.265 59.321 58.200 -0.240 0.000 0.993 217 S CB -0.580 62.198 63.200 -0.703 0.000 0.859 217 S HN 0.139 nan 8.310 nan 0.000 0.453 218 V N 2.064 121.966 119.914 -0.019 0.000 2.343 218 V HA -0.065 4.055 4.120 0.000 0.000 0.247 218 V C 0.978 177.126 176.094 0.090 0.000 1.051 218 V CA 0.984 63.343 62.300 0.097 0.000 1.036 218 V CB -0.780 31.016 31.823 -0.045 0.000 0.654 218 V HN 0.395 nan 8.190 nan 0.000 0.451 219 L N 1.285 122.480 121.223 -0.047 0.000 2.562 219 L HA 0.313 4.653 4.340 0.000 0.000 0.271 219 L C 1.432 178.406 176.870 0.173 0.000 1.167 219 L CA 0.859 55.691 54.840 -0.014 0.000 0.917 219 L CB -0.462 41.484 42.059 -0.188 0.000 1.187 219 L HN 0.472 nan 8.230 nan 0.000 0.482 220 G N 2.679 111.615 108.800 0.226 0.000 2.168 220 G HA2 -0.275 3.685 3.960 0.000 0.000 0.263 220 G HA3 -0.275 3.685 3.960 0.000 0.000 0.263 220 G C 0.803 175.961 174.900 0.430 0.000 0.977 220 G CA 0.197 45.498 45.100 0.335 0.000 0.659 220 G HN 0.926 nan 8.290 nan 0.000 0.533 221 G N 0.025 109.084 108.800 0.431 0.000 3.327 221 G HA2 0.458 4.418 3.960 0.000 0.000 0.240 221 G HA3 0.458 4.418 3.960 0.000 0.000 0.240 221 G C 1.046 176.177 174.900 0.384 0.000 1.222 221 G CA 0.254 45.708 45.100 0.589 0.000 0.871 221 G HN 1.417 nan 8.290 nan 0.000 0.525 222 L N -0.988 120.419 121.223 0.308 0.000 3.742 222 L HA -0.272 4.068 4.340 0.000 0.000 0.431 222 L C 1.750 178.680 176.870 0.099 0.000 1.220 222 L CA 0.296 55.261 54.840 0.208 0.000 0.863 222 L CB -1.885 40.322 42.059 0.248 0.000 1.751 222 L HN 0.580 nan 8.230 nan 0.000 0.922 223 G N -1.370 107.473 108.800 0.072 0.000 2.180 223 G HA2 -0.347 3.613 3.960 0.000 0.000 0.263 223 G HA3 -0.347 3.613 3.960 0.000 0.000 0.263 223 G C 0.868 175.708 174.900 -0.099 0.000 0.989 223 G CA 0.761 45.866 45.100 0.009 0.000 0.692 223 G HN 0.516 nan 8.290 nan 0.000 0.526 224 Q N -1.194 118.440 119.800 -0.275 0.000 2.245 224 Q HA 0.143 4.483 4.340 0.000 0.000 0.201 224 Q C 1.867 177.435 176.000 -0.721 0.000 0.955 224 Q CA 1.210 56.651 55.803 -0.605 0.000 0.870 224 Q CB -0.122 28.037 28.738 -0.965 0.000 0.945 224 Q HN 0.728 nan 8.270 nan 0.000 0.461 225 F N -0.961 118.956 119.950 -0.055 0.000 2.682 225 F HA 0.494 5.021 4.527 0.000 0.000 0.308 225 F C 0.998 176.750 175.800 -0.080 0.000 1.093 225 F CA 0.141 58.105 58.000 -0.059 0.000 1.244 225 F CB 0.980 39.931 39.000 -0.082 0.000 1.052 225 F HN -0.065 nan 8.300 nan 0.000 0.573 226 G N 0.299 109.126 108.800 0.044 0.000 2.350 226 G HA2 0.309 4.269 3.960 0.000 0.000 0.305 226 G HA3 0.309 4.269 3.960 0.000 0.000 0.305 226 G C -1.511 173.389 174.900 0.001 0.000 1.479 226 G CA -1.166 43.939 45.100 0.008 0.000 0.949 226 G HN -0.034 nan 8.290 nan 0.000 0.651 227 I N 0.664 121.231 120.570 -0.005 0.000 2.428 227 I HA 0.374 4.544 4.170 0.000 0.000 0.289 227 I C 0.302 176.413 176.117 -0.010 0.000 1.019 227 I CA -0.602 60.698 61.300 -0.001 0.000 1.351 227 I CB 1.395 39.396 38.000 0.002 0.000 1.412 227 I HN 0.263 nan 8.210 nan 0.000 0.513 228 I N 5.609 126.175 120.570 -0.007 0.000 2.291 228 I HA 0.078 4.248 4.170 0.000 0.000 0.290 228 I C 1.282 177.385 176.117 -0.023 0.000 1.050 228 I CA -0.007 61.281 61.300 -0.022 0.000 1.245 228 I CB 1.169 39.158 38.000 -0.018 0.000 1.405 228 I HN 0.717 nan 8.210 nan 0.000 0.478 229 T N 2.895 117.433 114.554 -0.027 0.000 3.037 229 T HA 0.149 4.499 4.350 0.000 0.000 0.252 229 T C 0.805 175.483 174.700 -0.035 0.000 1.073 229 T CA 0.060 62.157 62.100 -0.005 0.000 1.091 229 T CB 0.332 69.214 68.868 0.023 0.000 0.935 229 T HN 0.536 nan 8.240 nan 0.000 0.488 230 R N 0.091 120.521 120.500 -0.118 0.000 2.626 230 R HA 0.678 5.018 4.340 0.000 0.000 0.274 230 R C -2.214 173.970 176.300 -0.193 0.000 1.031 230 R CA -0.599 55.350 56.100 -0.253 0.000 0.898 230 R CB 1.953 31.928 30.300 -0.541 0.000 1.222 230 R HN 0.260 nan 8.270 nan 0.000 0.455 231 A N 3.297 125.999 122.820 -0.196 0.000 2.422 231 A HA 0.491 4.811 4.320 0.000 0.000 0.302 231 A C -1.227 176.257 177.584 -0.167 0.000 1.041 231 A CA -0.798 51.156 52.037 -0.138 0.000 0.708 231 A CB 1.624 20.569 19.000 -0.091 0.000 1.257 231 A HN 0.784 nan 8.150 nan 0.000 0.414 232 R N 2.452 122.851 120.500 -0.168 0.000 2.296 232 R HA 0.490 4.830 4.340 0.000 0.000 0.327 232 R C -1.333 174.896 176.300 -0.118 0.000 1.137 232 R CA -0.086 55.871 56.100 -0.238 0.000 1.020 232 R CB 0.122 30.178 30.300 -0.407 0.000 1.110 232 R HN 0.455 nan 8.270 nan 0.000 0.499 233 V N 6.635 126.514 119.914 -0.058 0.000 2.432 233 V HA 0.188 4.308 4.120 0.000 0.000 0.275 233 V C 0.610 176.709 176.094 0.008 0.000 1.043 233 V CA -0.687 61.610 62.300 -0.005 0.000 0.925 233 V CB 1.292 33.129 31.823 0.024 0.000 0.985 233 V HN 0.681 nan 8.190 nan 0.000 0.466 234 L N 6.023 127.237 121.223 -0.015 0.000 2.456 234 L HA 0.319 4.659 4.340 0.000 0.000 0.272 234 L C -0.303 176.534 176.870 -0.055 0.000 1.189 234 L CA 0.214 55.039 54.840 -0.025 0.000 0.846 234 L CB 0.271 42.295 42.059 -0.058 0.000 1.111 234 L HN 0.432 nan 8.230 nan 0.000 0.475 235 L N 3.415 124.606 121.223 -0.053 0.000 2.386 235 L HA 0.463 4.803 4.340 0.000 0.000 0.271 235 L C -0.357 176.480 176.870 -0.056 0.000 0.993 235 L CA -0.589 54.218 54.840 -0.055 0.000 0.819 235 L CB 2.003 44.009 42.059 -0.088 0.000 1.294 235 L HN 0.647 nan 8.230 nan 0.000 0.414 236 Q N 2.313 122.087 119.800 -0.044 0.000 2.378 236 Q HA 0.650 4.990 4.340 0.000 0.000 0.276 236 Q C -2.778 173.212 176.000 -0.015 0.000 1.083 236 Q CA -2.345 53.430 55.803 -0.047 0.000 0.856 236 Q CB 2.065 30.745 28.738 -0.097 0.000 1.383 236 Q HN 0.211 nan 8.270 nan 0.000 0.458 237 P HA 0.032 nan 4.420 nan 0.000 0.264 237 P C -1.047 176.209 177.300 -0.074 0.000 1.193 237 P CA 0.309 63.404 63.100 -0.010 0.000 0.763 237 P CB 0.594 32.294 31.700 0.000 0.000 0.810 238 A N 5.930 128.695 122.820 -0.091 0.000 2.450 238 A HA 0.410 4.730 4.320 0.000 0.000 0.255 238 A C -1.946 175.425 177.584 -0.356 0.000 1.096 238 A CA -0.908 50.971 52.037 -0.265 0.000 0.778 238 A CB -1.016 17.885 19.000 -0.165 0.000 1.031 238 A HN 0.403 nan 8.150 nan 0.000 0.494 239 P HA 0.249 nan 4.420 nan 0.000 0.274 239 P C -0.452 176.613 177.300 -0.391 0.000 1.246 239 P CA -0.395 62.424 63.100 -0.468 0.000 0.795 239 P CB 0.554 31.843 31.700 -0.686 0.000 1.006 243 R N 3.931 124.548 120.500 0.195 0.000 2.202 243 R HA 0.407 4.747 4.340 0.000 0.000 0.334 243 R C -1.137 175.253 176.300 0.150 0.000 1.036 243 R CA -0.272 55.984 56.100 0.259 0.000 0.878 243 R CB 0.569 31.052 30.300 0.304 0.000 1.067 243 R HN 0.696 nan 8.270 nan 0.000 0.457 244 W N 7.760 129.035 121.300 -0.043 0.000 2.361 244 W HA 0.493 5.153 4.660 0.000 0.000 0.309 244 W C -1.208 175.344 176.519 0.055 0.000 1.122 244 W CA -1.598 55.733 57.345 -0.023 0.000 1.208 244 W CB 0.398 29.925 29.460 0.112 0.000 1.246 244 W HN 0.572 nan 8.180 nan 0.000 0.490 245 I N 6.920 127.749 120.570 0.431 0.000 2.545 245 I HA 0.460 4.630 4.170 0.000 0.000 0.292 245 I C -0.203 176.004 176.117 0.151 0.000 1.040 245 I CA -1.193 60.200 61.300 0.156 0.000 1.068 245 I CB 2.204 40.202 38.000 -0.003 0.000 1.251 245 I HN 0.205 nan 8.210 nan 0.000 0.424 246 R N 4.921 125.448 120.500 0.044 0.000 2.502 246 R HA 0.644 4.984 4.340 0.000 0.000 0.298 246 R C -1.127 175.167 176.300 -0.011 0.000 1.018 246 R CA -0.645 55.494 56.100 0.065 0.000 0.899 246 R CB 2.492 32.847 30.300 0.092 0.000 1.181 246 R HN 0.510 nan 8.270 nan 0.000 0.444 247 V N -0.277 119.592 119.914 -0.076 0.000 3.019 247 V HA 0.745 4.865 4.120 0.000 0.000 0.317 247 V C -0.311 175.813 176.094 0.050 0.000 1.094 247 V CA -0.857 61.301 62.300 -0.236 0.000 1.000 247 V CB 2.216 33.641 31.823 -0.664 0.000 1.060 247 V HN 0.319 nan 8.190 nan 0.000 0.443 248 V N 2.197 122.152 119.914 0.069 0.000 2.495 248 V HA 0.584 4.704 4.120 0.000 0.000 0.298 248 V C -1.119 175.069 176.094 0.156 0.000 1.031 248 V CA -0.363 62.081 62.300 0.240 0.000 0.871 248 V CB 1.476 33.493 31.823 0.325 0.000 0.988 248 V HN 0.854 nan 8.190 nan 0.000 0.432 249 Y N 1.510 121.932 120.300 0.204 0.000 2.468 249 Y HA 0.486 5.036 4.550 0.000 0.000 0.342 249 Y C 1.258 177.289 175.900 0.219 0.000 1.021 249 Y CA -0.481 57.764 58.100 0.242 0.000 1.079 249 Y CB 2.361 41.017 38.460 0.326 0.000 1.226 249 Y HN 0.715 nan 8.280 nan 0.000 0.460 250 T N -3.350 111.418 114.554 0.358 0.000 2.990 250 T HA 0.206 4.556 4.350 0.000 0.000 0.249 250 T C 0.021 174.972 174.700 0.418 0.000 1.039 250 T CA 0.057 62.303 62.100 0.243 0.000 1.036 250 T CB 0.180 69.132 68.868 0.140 0.000 0.994 250 T HN 0.370 nan 8.240 nan 0.000 0.489 251 E N 1.167 121.649 120.200 0.470 0.000 2.134 251 E HA 0.374 4.724 4.350 0.000 0.000 0.278 251 E C -0.124 176.725 176.600 0.415 0.000 0.959 251 E CA -0.723 55.928 56.400 0.418 0.000 0.783 251 E CB 1.541 31.413 29.700 0.286 0.000 1.095 251 E HN 0.151 nan 8.360 nan 0.000 0.399 252 F N 4.150 124.168 119.950 0.114 0.000 1.997 252 F HA -0.253 4.274 4.527 0.000 0.000 0.296 252 F C 1.523 177.298 175.800 -0.043 0.000 1.160 252 F CA 2.540 60.435 58.000 -0.176 0.000 1.176 252 F CB -0.262 38.617 39.000 -0.202 0.000 0.964 252 F HN 0.455 nan 8.300 nan 0.000 0.484 253 D N -0.492 119.914 120.400 0.010 0.000 2.254 253 D HA -0.244 4.396 4.640 0.000 0.000 0.201 253 D C 1.679 177.915 176.300 -0.107 0.000 0.998 253 D CA 1.880 55.809 54.000 -0.119 0.000 0.885 253 D CB -0.810 40.008 40.800 0.029 0.000 0.915 253 D HN 0.573 nan 8.370 nan 0.000 0.460 254 E N -0.702 119.508 120.200 0.018 0.000 2.051 254 E HA -0.083 4.267 4.350 0.000 0.000 0.189 254 E C 1.769 178.347 176.600 -0.037 0.000 0.979 254 E CA 0.597 57.054 56.400 0.095 0.000 0.803 254 E CB -0.314 29.551 29.700 0.275 0.000 0.761 254 E HN 0.380 nan 8.360 nan 0.000 0.451 255 F N 2.632 122.347 119.950 -0.393 0.000 2.134 255 F HA -0.208 4.319 4.527 0.000 0.000 0.299 255 F C 2.397 177.817 175.800 -0.634 0.000 1.097 255 F CA 2.157 59.519 58.000 -1.064 0.000 1.264 255 F CB -0.856 37.694 39.000 -0.750 0.000 1.001 255 F HN -0.058 nan 8.300 nan 0.000 0.479 256 T N -1.598 112.373 114.554 -0.971 0.000 2.812 256 T HA -0.158 4.192 4.350 0.000 0.000 0.264 256 T C 1.822 176.265 174.700 -0.428 0.000 1.042 256 T CA 1.354 62.916 62.100 -0.897 0.000 1.140 256 T CB -0.735 67.556 68.868 -0.963 0.000 0.870 256 T HN 0.472 nan 8.240 nan 0.000 0.445 257 Q N 0.901 120.533 119.800 -0.281 0.000 2.084 257 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 257 Q C 2.080 178.058 176.000 -0.035 0.000 0.978 257 Q CA 1.662 57.401 55.803 -0.107 0.000 0.844 257 Q CB -0.213 28.490 28.738 -0.057 0.000 0.898 257 Q HN 0.497 nan 8.270 nan 0.000 0.426 258 D N 0.184 120.546 120.400 -0.064 0.000 2.144 258 D HA -0.097 4.543 4.640 0.000 0.000 0.200 258 D C 1.696 178.051 176.300 0.091 0.000 0.978 258 D CA 1.239 55.296 54.000 0.095 0.000 0.833 258 D CB -0.161 40.752 40.800 0.188 0.000 0.961 258 D HN 0.266 nan 8.370 nan 0.000 0.470 259 A N 0.776 123.491 122.820 -0.174 0.000 1.873 259 A HA -0.192 4.128 4.320 0.000 0.000 0.215 259 A C 2.042 179.520 177.584 -0.178 0.000 1.186 259 A CA 1.458 53.366 52.037 -0.214 0.000 0.616 259 A CB -0.546 18.179 19.000 -0.459 0.000 0.823 259 A HN 0.183 nan 8.150 nan 0.000 0.442 260 E N -1.717 118.385 120.200 -0.163 0.000 2.110 260 E HA -0.233 4.117 4.350 0.000 0.000 0.193 260 E C 1.721 178.304 176.600 -0.028 0.000 0.988 260 E CA 1.274 57.598 56.400 -0.128 0.000 0.804 260 E CB -0.240 29.409 29.700 -0.086 0.000 0.745 260 E HN 0.861 nan 8.360 nan 0.000 0.458 261 W N 1.223 122.464 121.300 -0.098 0.000 2.388 261 W HA -0.123 4.537 4.660 0.000 0.000 0.294 261 W C 1.599 178.100 176.519 -0.031 0.000 1.212 261 W CA 1.150 58.470 57.345 -0.043 0.000 1.271 261 W CB -0.136 29.316 29.460 -0.012 0.000 1.126 261 W HN -0.036 nan 8.180 nan 0.000 0.535 262 L N 0.390 121.596 121.223 -0.028 0.000 2.056 262 L HA -0.176 4.164 4.340 0.000 0.000 0.207 262 L C 2.442 179.117 176.870 -0.324 0.000 1.078 262 L CA 1.471 56.181 54.840 -0.217 0.000 0.749 262 L CB -1.121 40.953 42.059 0.025 0.000 0.901 262 L HN 0.047 nan 8.230 nan 0.000 0.433 263 V N -5.706 114.000 119.914 -0.346 0.000 3.380 263 V HA 0.000 4.120 4.120 0.000 0.000 0.268 263 V C 1.812 177.863 176.094 -0.072 0.000 1.168 263 V CA 1.214 63.292 62.300 -0.369 0.000 1.156 263 V CB 0.080 31.619 31.823 -0.473 0.000 0.785 263 V HN 0.260 nan 8.190 nan 0.000 0.487 264 S N -0.355 115.241 115.700 -0.174 0.000 2.575 264 S HA 0.183 4.653 4.470 0.000 0.000 0.215 264 S C 0.852 175.339 174.600 -0.189 0.000 0.966 264 S CA -0.126 57.991 58.200 -0.137 0.000 0.911 264 S CB -0.223 62.902 63.200 -0.125 0.000 0.780 264 S HN 0.622 nan 8.310 nan 0.000 0.514 265 Q N 2.098 121.729 119.800 -0.282 0.000 2.454 265 Q HA 0.205 4.545 4.340 0.000 0.000 0.247 265 Q C 0.200 176.121 176.000 -0.132 0.000 1.028 265 Q CA 0.320 55.951 55.803 -0.287 0.000 0.910 265 Q CB 0.343 28.849 28.738 -0.386 0.000 1.276 265 Q HN 0.281 nan 8.270 nan 0.000 0.489 266 K N 1.914 122.246 120.400 -0.113 0.000 2.485 266 K HA -0.001 4.319 4.320 0.000 0.000 0.277 266 K C 0.007 176.568 176.600 -0.065 0.000 0.990 266 K CA -0.153 56.091 56.287 -0.071 0.000 0.994 266 K CB 0.268 32.737 32.500 -0.053 0.000 0.906 266 K HN 0.432 nan 8.250 nan 0.000 0.488 267 N N 3.151 121.812 118.700 -0.066 0.000 2.292 267 N HA -0.114 4.626 4.740 0.000 0.000 0.258 267 N C 0.086 175.567 175.510 -0.049 0.000 1.261 267 N CA 0.699 53.701 53.050 -0.080 0.000 0.845 267 N CB 0.273 38.708 38.487 -0.087 0.000 1.064 267 N HN 0.500 nan 8.380 nan 0.000 0.471 268 E N -1.084 119.089 120.200 -0.046 0.000 2.805 268 E HA -0.233 4.117 4.350 0.000 0.000 0.266 268 E C 0.626 177.205 176.600 -0.034 0.000 1.092 268 E CA 1.308 57.697 56.400 -0.019 0.000 0.781 268 E CB -1.581 28.127 29.700 0.014 0.000 1.379 268 E HN 0.686 nan 8.360 nan 0.000 0.433 269 S N -3.171 112.496 115.700 -0.054 0.000 2.486 269 S HA 0.301 4.771 4.470 0.000 0.000 0.220 269 S C 1.255 175.781 174.600 -0.123 0.000 1.011 269 S CA 0.449 58.605 58.200 -0.073 0.000 0.921 269 S CB 0.805 63.962 63.200 -0.073 0.000 0.785 269 S HN 0.164 nan 8.310 nan 0.000 0.517 270 S N -0.564 115.057 115.700 -0.132 0.000 3.565 270 S HA 0.713 5.183 4.470 0.000 0.000 0.242 270 S C -0.778 173.663 174.600 -0.266 0.000 1.023 270 S CA -0.861 57.199 58.200 -0.233 0.000 1.300 270 S CB -0.198 62.920 63.200 -0.137 0.000 1.198 270 S HN 0.257 nan 8.310 nan 0.000 0.697 271 F N 1.979 121.967 119.950 0.063 0.000 2.435 271 F HA 0.295 4.822 4.527 0.000 0.000 0.316 271 F C 1.534 177.421 175.800 0.145 0.000 1.220 271 F CA 0.132 58.188 58.000 0.094 0.000 1.241 271 F CB 0.401 39.459 39.000 0.097 0.000 1.234 271 F HN 0.482 nan 8.300 nan 0.000 0.569 272 D N -0.581 119.989 120.400 0.283 0.000 2.395 272 D HA 0.014 4.654 4.640 0.000 0.000 0.213 272 D C -1.019 175.477 176.300 0.326 0.000 1.110 272 D CA 0.558 54.600 54.000 0.070 0.000 0.835 272 D CB 0.506 40.912 40.800 -0.656 0.000 0.965 272 D HN 0.372 nan 8.370 nan 0.000 0.505 273 Y N 0.621 121.098 120.300 0.295 0.000 2.436 273 Y HA 0.319 4.869 4.550 0.000 0.000 0.327 273 Y C -1.991 173.982 175.900 0.121 0.000 1.138 273 Y CA -0.777 57.488 58.100 0.275 0.000 1.042 273 Y CB 1.369 39.994 38.460 0.275 0.000 1.302 273 Y HN -0.346 nan 8.280 nan 0.000 0.439 274 V N 6.546 126.244 119.914 -0.360 0.000 2.531 274 V HA 0.578 4.698 4.120 0.000 0.000 0.301 274 V C -0.548 175.149 176.094 -0.661 0.000 1.034 274 V CA -0.437 61.616 62.300 -0.412 0.000 0.865 274 V CB 1.628 33.116 31.823 -0.557 0.000 0.995 274 V HN 0.952 nan 8.190 nan 0.000 0.424 275 E N 1.984 121.977 120.200 -0.345 0.000 2.249 275 E HA 0.805 5.155 4.350 0.000 0.000 0.170 275 E C -0.272 176.417 176.600 0.148 0.000 0.969 275 E CA -0.399 55.832 56.400 -0.282 0.000 0.844 275 E CB 2.516 32.034 29.700 -0.304 0.000 2.113 275 E HN 1.009 nan 8.360 nan 0.000 0.438 276 G N -0.324 108.627 108.800 0.252 0.000 2.340 276 G HA2 0.224 4.184 3.960 0.000 0.000 0.527 276 G HA3 0.224 4.184 3.960 0.000 0.000 0.527 276 G C -1.215 173.858 174.900 0.289 0.000 1.381 276 G CA -0.350 44.832 45.100 0.136 0.000 1.001 276 G HN 0.373 nan 8.290 nan 0.000 0.626 277 F N -2.284 117.838 119.950 0.287 0.000 3.585 277 F HA 0.916 5.443 4.527 0.000 0.000 0.307 277 F C -0.253 175.618 175.800 0.118 0.000 1.405 277 F CA -1.150 56.989 58.000 0.232 0.000 0.986 277 F CB 0.746 39.876 39.000 0.217 0.000 1.695 277 F HN 0.785 nan 8.300 nan 0.000 0.470 278 V N 1.541 121.727 119.914 0.455 0.000 2.624 278 V HA 0.423 4.543 4.120 0.000 0.000 0.294 278 V C -1.398 174.856 176.094 0.267 0.000 1.077 278 V CA -0.637 61.726 62.300 0.105 0.000 0.905 278 V CB 1.332 32.921 31.823 -0.389 0.000 1.025 278 V HN 0.732 nan 8.190 nan 0.000 0.440 279 F N 3.185 123.180 119.950 0.075 0.000 2.541 279 F HA 0.952 5.479 4.527 0.000 0.000 0.331 279 F C -0.120 175.632 175.800 -0.079 0.000 1.057 279 F CA -1.622 56.398 58.000 0.034 0.000 0.975 279 F CB 0.848 39.908 39.000 0.100 0.000 1.246 279 F HN 0.181 nan 8.300 nan 0.000 0.484 280 V N 1.460 121.381 119.914 0.011 0.000 2.775 280 V HA 0.093 4.213 4.120 0.000 0.000 0.299 280 V C 0.315 176.323 176.094 -0.144 0.000 1.062 280 V CA -0.713 61.512 62.300 -0.125 0.000 1.063 280 V CB 0.926 32.683 31.823 -0.110 0.000 0.994 280 V HN 0.821 nan 8.190 nan 0.000 0.483 281 N N 2.874 121.480 118.700 -0.156 0.000 2.895 281 N HA 0.348 5.088 4.740 0.000 0.000 0.277 281 N C -0.139 175.320 175.510 -0.084 0.000 1.185 281 N CA 0.518 53.564 53.050 -0.007 0.000 1.106 281 N CB 0.130 38.614 38.487 -0.005 0.000 1.422 281 N HN 0.955 nan 8.380 nan 0.000 0.521 282 G N -0.565 107.939 108.800 -0.493 0.000 2.559 282 G HA2 0.518 4.478 3.960 0.000 0.000 0.291 282 G HA3 0.518 4.478 3.960 0.000 0.000 0.291 282 G C -0.208 173.692 174.900 -1.666 0.000 1.424 282 G CA -0.133 44.400 45.100 -0.944 0.000 0.786 282 G HN 0.255 nan 8.290 nan 0.000 0.485 283 A N -0.461 121.591 122.820 -1.281 0.000 2.238 283 A HA 0.263 4.583 4.320 0.000 0.000 0.208 283 A C 1.005 178.252 177.584 -0.561 0.000 1.177 283 A CA 0.808 52.235 52.037 -1.016 0.000 0.804 283 A CB -0.265 18.497 19.000 -0.396 0.000 0.823 283 A HN 0.612 nan 8.150 nan 0.000 0.482 284 D N 1.529 121.655 120.400 -0.457 0.000 2.659 284 D HA -0.056 4.584 4.640 0.000 0.000 0.264 284 D C -1.210 174.934 176.300 -0.258 0.000 1.329 284 D CA -0.911 52.920 54.000 -0.281 0.000 0.963 284 D CB 0.754 41.415 40.800 -0.233 0.000 1.136 284 D HN 0.230 nan 8.370 nan 0.000 0.554 285 P HA -0.140 nan 4.420 nan 0.000 0.227 285 P C 1.115 178.320 177.300 -0.159 0.000 1.145 285 P CA 0.445 63.447 63.100 -0.164 0.000 0.769 285 P CB 0.512 32.143 31.700 -0.115 0.000 0.769 286 V N -0.823 118.998 119.914 -0.156 0.000 3.570 286 V HA 0.176 4.296 4.120 0.000 0.000 0.257 286 V C 1.788 177.792 176.094 -0.149 0.000 1.272 286 V CA 0.734 62.943 62.300 -0.153 0.000 1.079 286 V CB -0.116 31.626 31.823 -0.135 0.000 0.829 286 V HN 0.100 nan 8.190 nan 0.000 0.454 287 N N -0.286 118.330 118.700 -0.141 0.000 2.257 287 N HA 0.166 4.906 4.740 0.000 0.000 0.200 287 N C 0.872 176.335 175.510 -0.079 0.000 1.163 287 N CA 0.770 53.758 53.050 -0.103 0.000 0.891 287 N CB 1.667 40.100 38.487 -0.090 0.000 1.067 287 N HN 0.454 nan 8.380 nan 0.000 0.497 288 G N 0.222 108.922 108.800 -0.167 0.000 2.736 288 G HA2 0.237 4.197 3.960 0.000 0.000 0.229 288 G HA3 0.237 4.197 3.960 0.000 0.000 0.229 288 G C 0.505 175.310 174.900 -0.158 0.000 1.380 288 G CA -0.318 44.668 45.100 -0.190 0.000 1.040 288 G HN 0.279 nan 8.290 nan 0.000 0.568 289 W N -1.009 120.159 121.300 -0.220 0.000 2.468 289 W HA 0.169 4.829 4.660 0.000 0.000 0.262 289 W C -1.366 174.795 176.519 -0.597 0.000 1.241 289 W CA 0.807 57.723 57.345 -0.714 0.000 1.232 289 W CB -1.574 27.002 29.460 -1.473 0.000 1.124 289 W HN 0.277 nan 8.180 nan 0.000 0.597 290 P HA -0.091 nan 4.420 nan 0.000 0.230 290 P C 1.570 178.745 177.300 -0.210 0.000 1.158 290 P CA 2.547 65.588 63.100 -0.099 0.000 0.769 290 P CB -0.271 31.370 31.700 -0.098 0.000 0.807 291 T N -5.011 109.383 114.554 -0.266 0.000 3.148 291 T HA 0.064 4.414 4.350 0.000 0.000 0.253 291 T C 1.394 175.930 174.700 -0.274 0.000 1.134 291 T CA 0.265 62.206 62.100 -0.266 0.000 1.051 291 T CB -0.837 67.865 68.868 -0.276 0.000 0.959 291 T HN -0.126 nan 8.240 nan 0.000 0.525 292 V N 0.862 120.541 119.914 -0.390 0.000 2.403 292 V HA 0.201 4.321 4.120 0.000 0.000 0.239 292 V C -1.625 174.113 176.094 -0.594 0.000 1.041 292 V CA -0.216 61.846 62.300 -0.397 0.000 1.051 292 V CB -1.050 30.466 31.823 -0.512 0.000 0.704 292 V HN 0.319 nan 8.190 nan 0.000 0.472 293 P HA -0.025 nan 4.420 nan 0.000 0.269 293 P C 0.499 177.406 177.300 -0.655 0.000 1.205 293 P CA 1.107 63.483 63.100 -1.208 0.000 0.780 293 P CB 0.385 31.459 31.700 -1.044 0.000 0.858 294 L N 0.167 121.038 121.223 -0.587 0.000 2.362 294 L HA 0.153 4.494 4.340 0.000 0.000 0.204 294 L C 0.911 177.624 176.870 -0.262 0.000 1.060 294 L CA 0.446 54.961 54.840 -0.543 0.000 0.827 294 L CB -0.562 41.087 42.059 -0.683 0.000 1.027 294 L HN 0.548 nan 8.230 nan 0.000 0.474 295 H N -2.093 116.866 119.070 -0.185 0.000 2.524 295 H HA 0.328 4.884 4.556 0.000 0.000 0.353 295 H C -2.261 173.037 175.328 -0.050 0.000 1.136 295 H CA -2.483 53.517 56.048 -0.080 0.000 1.193 295 H CB 0.402 30.154 29.762 -0.016 0.000 1.558 295 H HN -0.255 nan 8.280 nan 0.000 0.515 296 P HA -0.163 nan 4.420 nan 0.000 0.222 296 P C -0.142 177.247 177.300 0.149 0.000 1.142 296 P CA 1.004 64.156 63.100 0.087 0.000 0.788 296 P CB 0.317 32.059 31.700 0.071 0.000 0.767 297 D N -1.659 118.966 120.400 0.376 0.000 2.319 297 D HA -0.002 4.638 4.640 0.000 0.000 0.230 297 D C 0.337 176.799 176.300 0.271 0.000 1.094 297 D CA 0.416 54.602 54.000 0.310 0.000 0.856 297 D CB -0.393 40.583 40.800 0.292 0.000 0.915 297 D HN 0.465 nan 8.370 nan 0.000 0.517 298 H N 0.194 119.219 119.070 -0.075 0.000 3.240 298 H HA 0.244 4.800 4.556 0.000 0.000 0.326 298 H C -0.811 174.491 175.328 -0.043 0.000 1.015 298 H CA -0.376 55.630 56.048 -0.070 0.000 1.504 298 H CB 1.234 30.905 29.762 -0.152 0.000 1.754 298 H HN -0.178 nan 8.280 nan 0.000 0.505 299 E N 3.031 123.355 120.200 0.207 0.000 2.239 299 E HA 0.125 4.475 4.350 0.000 0.000 0.261 299 E C -1.010 175.707 176.600 0.195 0.000 1.016 299 E CA -1.163 55.282 56.400 0.075 0.000 0.882 299 E CB 1.996 31.754 29.700 0.096 0.000 1.190 299 E HN 0.310 nan 8.360 nan 0.000 0.415 300 F N 2.244 122.175 119.950 -0.031 0.000 2.471 300 F HA 0.055 4.582 4.527 0.000 0.000 0.365 300 F C 0.033 175.751 175.800 -0.137 0.000 1.095 300 F CA -0.261 57.751 58.000 0.020 0.000 1.174 300 F CB 0.387 39.336 39.000 -0.085 0.000 1.105 300 F HN 0.184 nan 8.300 nan 0.000 0.535 301 D N 9.155 129.451 120.400 -0.174 0.000 2.456 301 D HA 0.237 4.877 4.640 0.000 0.000 0.219 301 D C -1.734 174.367 176.300 -0.332 0.000 1.126 301 D CA -2.623 51.272 54.000 -0.174 0.000 0.890 301 D CB 1.058 41.785 40.800 -0.122 0.000 1.025 301 D HN 0.265 nan 8.370 nan 0.000 0.511 302 P HA -0.133 nan 4.420 nan 0.000 0.226 302 P C 0.871 178.041 177.300 -0.216 0.000 1.146 302 P CA 0.815 63.661 63.100 -0.424 0.000 0.773 302 P CB -0.247 30.846 31.700 -1.013 0.000 0.772 303 T N -3.621 110.839 114.554 -0.156 0.000 3.308 303 T HA 0.097 4.447 4.350 0.000 0.000 0.255 303 T C 1.397 176.036 174.700 -0.101 0.000 1.162 303 T CA 0.079 62.124 62.100 -0.092 0.000 1.031 303 T CB -0.479 68.354 68.868 -0.059 0.000 0.973 303 T HN -0.026 nan 8.240 nan 0.000 0.544 304 R N 0.066 120.476 120.500 -0.150 0.000 2.335 304 R HA 0.415 4.755 4.340 0.000 0.000 0.210 304 R C 0.438 176.676 176.300 -0.104 0.000 0.892 304 R CA -0.130 55.884 56.100 -0.144 0.000 1.048 304 R CB -0.128 30.043 30.300 -0.215 0.000 1.067 304 R HN 0.432 nan 8.270 nan 0.000 0.524 305 L N 3.321 124.498 121.223 -0.078 0.000 2.367 305 L HA 0.247 4.587 4.340 0.000 0.000 0.275 305 L C -1.892 174.976 176.870 -0.003 0.000 1.129 305 L CA -1.790 53.042 54.840 -0.014 0.000 0.839 305 L CB 0.366 42.449 42.059 0.040 0.000 1.133 305 L HN -0.235 nan 8.230 nan 0.000 0.453 306 P HA 0.038 nan 4.420 nan 0.000 0.269 306 P C 0.161 177.473 177.300 0.020 0.000 1.209 306 P CA -0.457 62.648 63.100 0.008 0.000 0.776 306 P CB 0.563 32.272 31.700 0.014 0.000 0.876 307 Q N 0.962 120.772 119.800 0.017 0.000 2.181 307 Q HA -0.110 4.230 4.340 0.000 0.000 0.205 307 Q C 1.067 177.084 176.000 0.028 0.000 0.980 307 Q CA 1.747 57.563 55.803 0.023 0.000 0.862 307 Q CB -0.556 28.192 28.738 0.018 0.000 0.905 307 Q HN 0.607 nan 8.270 nan 0.000 0.429 308 S N -0.546 115.171 115.700 0.028 0.000 2.849 308 S HA 0.223 4.693 4.470 0.000 0.000 0.244 308 S C 0.100 174.725 174.600 0.041 0.000 1.297 308 S CA -0.771 57.449 58.200 0.032 0.000 1.241 308 S CB -0.638 62.581 63.200 0.031 0.000 0.958 308 S HN 0.111 nan 8.310 nan 0.000 0.489 309 C N 1.316 120.639 119.300 0.038 0.000 2.435 309 C HA 0.858 5.318 4.460 0.000 0.000 0.333 309 C C 1.486 176.486 174.990 0.017 0.000 1.202 309 C CA -0.847 58.193 59.018 0.037 0.000 1.830 309 C CB 0.587 28.348 27.740 0.034 0.000 2.326 309 C HN 0.743 nan 8.230 nan 0.000 0.507 310 G N 0.980 109.783 108.800 0.004 0.000 2.712 310 G HA2 0.228 4.188 3.960 0.000 0.000 0.258 310 G HA3 0.228 4.188 3.960 0.000 0.000 0.258 310 G C 0.921 175.787 174.900 -0.056 0.000 1.241 310 G CA -0.168 44.920 45.100 -0.020 0.000 0.923 310 G HN 0.775 nan 8.290 nan 0.000 0.548 311 S N -1.312 114.352 115.700 -0.060 0.000 2.653 311 S HA 0.103 4.573 4.470 0.000 0.000 0.233 311 S C 0.570 175.085 174.600 -0.141 0.000 0.970 311 S CA 0.727 58.883 58.200 -0.074 0.000 0.947 311 S CB -0.871 62.289 63.200 -0.067 0.000 0.771 311 S HN 0.976 nan 8.310 nan 0.000 0.538 312 V N -1.443 118.340 119.914 -0.217 0.000 2.932 312 V HA 0.673 4.793 4.120 0.000 0.000 0.307 312 V C -1.011 174.661 176.094 -0.703 0.000 1.147 312 V CA -1.165 60.880 62.300 -0.426 0.000 0.951 312 V CB 1.734 33.327 31.823 -0.383 0.000 1.031 312 V HN 0.031 nan 8.190 nan 0.000 0.426 313 L N 3.397 124.008 121.223 -1.020 0.000 2.303 313 L HA 0.724 5.064 4.340 0.000 0.000 0.266 313 L C -1.290 174.777 176.870 -1.337 0.000 1.011 313 L CA -0.795 53.387 54.840 -1.096 0.000 0.818 313 L CB 2.280 43.836 42.059 -0.837 0.000 1.326 313 L HN 0.710 nan 8.230 nan 0.000 0.435 314 Y N 0.127 120.254 120.300 -0.289 0.000 2.350 314 Y HA 0.421 4.971 4.550 0.000 0.000 0.338 314 Y C -0.111 175.689 175.900 -0.167 0.000 0.961 314 Y CA -0.796 57.080 58.100 -0.373 0.000 1.100 314 Y CB 1.756 39.802 38.460 -0.690 0.000 1.179 314 Y HN 0.441 nan 8.280 nan 0.000 0.454 315 C N 5.568 124.836 119.300 -0.054 0.000 2.341 315 C HA 0.771 5.231 4.460 0.000 0.000 0.338 315 C C -0.644 174.253 174.990 -0.155 0.000 1.257 315 C CA -0.779 58.206 59.018 -0.056 0.000 1.883 315 C CB -0.170 27.377 27.740 -0.322 0.000 2.334 315 C HN 0.813 nan 8.230 nan 0.000 0.524 316 L N 5.014 126.309 121.223 0.120 0.000 2.296 316 L HA 0.572 4.912 4.340 0.000 0.000 0.286 316 L C -0.172 176.784 176.870 0.143 0.000 1.023 316 L CA 0.397 55.391 54.840 0.256 0.000 0.812 316 L CB 1.129 43.469 42.059 0.468 0.000 1.223 316 L HN 0.828 nan 8.230 nan 0.000 0.421 317 E N 5.368 125.671 120.200 0.171 0.000 2.145 317 E HA 0.552 4.902 4.350 0.000 0.000 0.270 317 E C -1.670 175.124 176.600 0.324 0.000 0.906 317 E CA -0.525 56.054 56.400 0.298 0.000 0.761 317 E CB 0.932 30.909 29.700 0.461 0.000 1.116 317 E HN 0.680 nan 8.360 nan 0.000 0.408 318 L N 2.954 124.332 121.223 0.258 0.000 2.354 318 L HA 0.736 5.076 4.340 0.000 0.000 0.269 318 L C 0.118 177.120 176.870 0.219 0.000 1.005 318 L CA -1.039 53.849 54.840 0.081 0.000 0.819 318 L CB 2.280 43.961 42.059 -0.630 0.000 1.311 318 L HN 0.622 nan 8.230 nan 0.000 0.423 319 G N 2.089 111.078 108.800 0.315 0.000 2.707 319 G HA2 0.615 4.575 3.960 0.000 0.000 0.299 319 G HA3 0.615 4.575 3.960 0.000 0.000 0.299 319 G C -2.025 173.038 174.900 0.271 0.000 1.442 319 G CA -0.362 44.787 45.100 0.082 0.000 1.009 319 G HN 0.331 nan 8.290 nan 0.000 0.515 320 L N 2.424 123.810 121.223 0.271 0.000 2.313 320 L HA 0.525 4.865 4.340 0.000 0.000 0.283 320 L C -0.008 177.055 176.870 0.321 0.000 1.013 320 L CA -0.733 54.295 54.840 0.314 0.000 0.816 320 L CB 0.845 43.118 42.059 0.356 0.000 1.236 320 L HN 0.653 nan 8.230 nan 0.000 0.419 321 H N 4.772 123.950 119.070 0.180 0.000 2.582 321 H HA 0.513 5.069 4.556 0.000 0.000 0.345 321 H C -1.185 174.269 175.328 0.211 0.000 1.104 321 H CA -0.106 56.009 56.048 0.112 0.000 1.390 321 H CB 0.984 30.793 29.762 0.077 0.000 1.461 321 H HN 0.674 nan 8.280 nan 0.000 0.551 322 Y N -1.147 119.227 120.300 0.122 0.000 2.713 322 Y HA 0.447 4.997 4.550 0.000 0.000 0.335 322 Y C -1.351 174.565 175.900 0.027 0.000 1.222 322 Y CA -1.511 56.628 58.100 0.065 0.000 1.061 322 Y CB 0.971 39.465 38.460 0.057 0.000 1.314 322 Y HN 0.404 nan 8.280 nan 0.000 0.453 323 R N 0.979 121.608 120.500 0.216 0.000 2.486 323 R HA 0.208 4.548 4.340 0.000 0.000 0.286 323 R C -0.089 176.302 176.300 0.152 0.000 0.999 323 R CA -0.169 55.983 56.100 0.087 0.000 0.993 323 R CB 0.905 31.250 30.300 0.075 0.000 1.084 323 R HN 0.931 nan 8.270 nan 0.000 0.487 324 D N 0.054 120.483 120.400 0.049 0.000 2.350 324 D HA -0.149 4.491 4.640 0.000 0.000 0.216 324 D C 1.056 177.417 176.300 0.103 0.000 0.968 324 D CA 0.918 54.967 54.000 0.082 0.000 0.894 324 D CB -0.028 40.786 40.800 0.023 0.000 0.909 324 D HN 0.418 nan 8.370 nan 0.000 0.520 325 S N -0.693 115.058 115.700 0.084 0.000 2.481 325 S HA -0.073 4.397 4.470 0.000 0.000 0.231 325 S C 0.491 175.135 174.600 0.075 0.000 0.996 325 S CA -0.143 58.096 58.200 0.065 0.000 0.942 325 S CB -0.336 62.892 63.200 0.046 0.000 0.768 325 S HN 0.047 nan 8.310 nan 0.000 0.520 326 D N 2.955 123.424 120.400 0.114 0.000 2.424 326 D HA 0.179 4.819 4.640 0.000 0.000 0.244 326 D C -0.005 176.325 176.300 0.050 0.000 1.134 326 D CA 0.378 54.429 54.000 0.085 0.000 0.881 326 D CB 1.109 41.976 40.800 0.112 0.000 1.191 326 D HN 0.232 nan 8.370 nan 0.000 0.445 327 S N 1.872 117.581 115.700 0.014 0.000 2.549 327 S HA 0.003 4.473 4.470 0.000 0.000 0.279 327 S C 1.374 175.956 174.600 -0.029 0.000 1.321 327 S CA -0.601 57.600 58.200 0.002 0.000 1.054 327 S CB 0.348 63.547 63.200 -0.002 0.000 0.899 327 S HN 0.246 nan 8.310 nan 0.000 0.497 328 N N 3.011 121.700 118.700 -0.019 0.000 2.166 328 N HA -0.124 4.616 4.740 0.000 0.000 0.186 328 N C 2.000 177.479 175.510 -0.051 0.000 1.019 328 N CA 1.616 54.640 53.050 -0.044 0.000 0.856 328 N CB -0.550 37.934 38.487 -0.006 0.000 0.993 328 N HN 0.806 nan 8.380 nan 0.000 0.426 329 S N -0.170 115.513 115.700 -0.028 0.000 2.383 329 S HA -0.067 4.403 4.470 0.000 0.000 0.227 329 S C 1.998 176.577 174.600 -0.034 0.000 1.026 329 S CA 1.317 59.503 58.200 -0.024 0.000 0.981 329 S CB -0.696 62.497 63.200 -0.012 0.000 0.818 329 S HN 0.185 nan 8.310 nan 0.000 0.472 330 T N 3.010 117.539 114.554 -0.041 0.000 2.737 330 T HA 0.107 4.457 4.350 0.000 0.000 0.265 330 T C 1.754 176.408 174.700 -0.076 0.000 1.038 330 T CA 1.205 63.279 62.100 -0.045 0.000 1.144 330 T CB -0.309 68.538 68.868 -0.035 0.000 0.866 330 T HN 0.272 nan 8.240 nan 0.000 0.434 331 I N 2.069 122.559 120.570 -0.134 0.000 2.226 331 I HA -0.124 4.046 4.170 0.000 0.000 0.245 331 I C 2.137 178.172 176.117 -0.138 0.000 1.100 331 I CA 1.360 62.527 61.300 -0.222 0.000 1.374 331 I CB -1.204 36.493 38.000 -0.505 0.000 1.057 331 I HN 0.182 nan 8.210 nan 0.000 0.413 332 D N 1.204 121.548 120.400 -0.094 0.000 2.123 332 D HA -0.184 4.456 4.640 0.000 0.000 0.196 332 D C 2.199 178.493 176.300 -0.011 0.000 0.992 332 D CA 1.228 55.206 54.000 -0.036 0.000 0.833 332 D CB -0.151 40.638 40.800 -0.018 0.000 0.954 332 D HN 0.349 nan 8.370 nan 0.000 0.455 333 K N 0.205 120.594 120.400 -0.018 0.000 2.147 333 K HA -0.093 4.227 4.320 0.000 0.000 0.205 333 K C 2.185 178.784 176.600 -0.001 0.000 1.049 333 K CA 0.614 56.899 56.287 -0.003 0.000 0.936 333 K CB 0.073 32.569 32.500 -0.008 0.000 0.722 333 K HN 0.014 nan 8.250 nan 0.000 0.446 334 R N 0.932 121.419 120.500 -0.022 0.000 2.066 334 R HA -0.100 4.240 4.340 0.000 0.000 0.232 334 R C 2.091 178.384 176.300 -0.012 0.000 1.131 334 R CA 1.092 57.174 56.100 -0.030 0.000 0.955 334 R CB -0.198 30.068 30.300 -0.057 0.000 0.851 334 R HN -0.056 nan 8.270 nan 0.000 0.432 335 V N 1.877 121.801 119.914 0.018 0.000 2.282 335 V HA -0.261 3.859 4.120 0.000 0.000 0.249 335 V C 2.251 178.441 176.094 0.159 0.000 1.057 335 V CA 2.023 64.393 62.300 0.117 0.000 1.032 335 V CB -0.515 31.392 31.823 0.140 0.000 0.645 335 V HN 0.394 nan 8.190 nan 0.000 0.447 336 E N 0.032 120.298 120.200 0.110 0.000 2.110 336 E HA -0.236 4.114 4.350 0.000 0.000 0.193 336 E C 2.250 178.923 176.600 0.122 0.000 0.988 336 E CA 1.395 57.869 56.400 0.122 0.000 0.804 336 E CB -0.450 29.298 29.700 0.079 0.000 0.745 336 E HN 0.627 nan 8.360 nan 0.000 0.458 337 R N 0.899 121.447 120.500 0.080 0.000 2.080 337 R HA -0.107 4.233 4.340 0.000 0.000 0.236 337 R C 2.491 178.854 176.300 0.105 0.000 1.137 337 R CA 1.305 57.447 56.100 0.071 0.000 0.943 337 R CB -0.347 29.970 30.300 0.029 0.000 0.846 337 R HN 0.152 nan 8.270 nan 0.000 0.431 338 L N 1.072 122.336 121.223 0.068 0.000 2.141 338 L HA -0.087 4.254 4.340 0.000 0.000 0.209 338 L C 2.470 179.560 176.870 0.368 0.000 1.094 338 L CA 1.038 55.915 54.840 0.062 0.000 0.763 338 L CB -0.352 41.442 42.059 -0.442 0.000 0.908 338 L HN 0.442 nan 8.230 nan 0.000 0.437 339 I N -3.804 117.017 120.570 0.418 0.000 3.603 339 I HA 0.192 4.362 4.170 0.000 0.000 0.297 339 I C 2.210 178.547 176.117 0.368 0.000 1.269 339 I CA 0.644 62.233 61.300 0.481 0.000 1.361 339 I CB -0.530 37.724 38.000 0.423 0.000 1.063 339 I HN -0.010 nan 8.210 nan 0.000 0.448 340 G N 1.992 110.943 108.800 0.251 0.000 2.517 340 G HA2 -0.230 3.730 3.960 0.000 0.000 0.222 340 G HA3 -0.230 3.730 3.960 0.000 0.000 0.222 340 G C 1.602 176.557 174.900 0.092 0.000 1.109 340 G CA 0.532 45.721 45.100 0.149 0.000 0.746 340 G HN 0.495 nan 8.290 nan 0.000 0.576 341 R N -0.601 119.971 120.500 0.121 0.000 2.515 341 R HA 0.366 4.706 4.340 0.000 0.000 0.294 341 R C -0.254 176.026 176.300 -0.034 0.000 1.021 341 R CA -0.317 55.762 56.100 -0.035 0.000 1.081 341 R CB 0.206 30.392 30.300 -0.189 0.000 1.263 341 R HN 0.242 nan 8.270 nan 0.000 0.557 342 L N 0.716 122.024 121.223 0.142 0.000 2.307 342 L HA 0.369 4.709 4.340 0.000 0.000 0.282 342 L C 1.019 177.891 176.870 0.003 0.000 1.051 342 L CA -0.541 54.443 54.840 0.241 0.000 0.804 342 L CB 1.464 43.851 42.059 0.546 0.000 1.197 342 L HN 0.002 nan 8.230 nan 0.000 0.431 343 R N 2.387 122.909 120.500 0.036 0.000 2.547 343 R HA 0.122 4.462 4.340 0.000 0.000 0.258 343 R C 0.032 176.089 176.300 -0.405 0.000 1.115 343 R CA -0.227 55.781 56.100 -0.153 0.000 1.152 343 R CB -0.448 29.872 30.300 0.034 0.000 1.221 343 R HN 0.447 nan 8.270 nan 0.000 0.539 344 F N -0.557 119.077 119.950 -0.527 0.000 2.313 344 F HA 0.144 4.671 4.527 0.000 0.000 0.288 344 F C 0.402 175.992 175.800 -0.350 0.000 1.274 344 F CA -1.229 56.330 58.000 -0.736 0.000 1.241 344 F CB 0.201 38.866 39.000 -0.559 0.000 1.409 344 F HN -0.226 nan 8.300 nan 0.000 0.511 345 N N 0.408 119.116 118.700 0.014 0.000 2.437 345 N HA 0.200 4.940 4.740 0.000 0.000 0.259 345 N C -1.429 174.143 175.510 0.105 0.000 0.983 345 N CA -0.673 52.351 53.050 -0.042 0.000 0.937 345 N CB 0.511 38.977 38.487 -0.036 0.000 1.122 345 N HN 0.623 nan 8.380 nan 0.000 0.499 346 E N 2.393 122.557 120.200 -0.061 0.000 2.467 346 E HA 0.239 4.589 4.350 0.000 0.000 0.264 346 E C 1.222 177.802 176.600 -0.034 0.000 1.020 346 E CA 0.378 56.789 56.400 0.019 0.000 0.945 346 E CB -0.081 29.567 29.700 -0.086 0.000 0.942 346 E HN 0.721 nan 8.360 nan 0.000 0.449 347 G N 1.780 110.544 108.800 -0.060 0.000 2.179 347 G HA2 -0.279 3.681 3.960 0.000 0.000 0.260 347 G HA3 -0.279 3.681 3.960 0.000 0.000 0.260 347 G C 0.255 174.975 174.900 -0.300 0.000 0.977 347 G CA 0.318 45.324 45.100 -0.158 0.000 0.641 347 G HN 0.476 nan 8.290 nan 0.000 0.533 348 L N 0.288 121.303 121.223 -0.347 0.000 3.025 348 L HA 0.409 4.749 4.340 0.000 0.000 0.307 348 L C 0.504 176.965 176.870 -0.682 0.000 1.303 348 L CA -0.441 54.023 54.840 -0.627 0.000 0.817 348 L CB 0.884 42.703 42.059 -0.399 0.000 1.227 348 L HN 0.254 nan 8.230 nan 0.000 0.571 349 R N 0.842 120.881 120.500 -0.769 0.000 2.472 349 R HA 0.430 4.770 4.340 0.000 0.000 0.294 349 R C -1.507 174.447 176.300 -0.575 0.000 1.243 349 R CA -0.482 55.237 56.100 -0.636 0.000 1.023 349 R CB 0.747 30.678 30.300 -0.616 0.000 1.157 349 R HN -0.072 nan 8.270 nan 0.000 0.530 350 F N 2.890 122.724 119.950 -0.193 0.000 2.384 350 F HA 0.354 4.881 4.527 0.000 0.000 0.338 350 F C 0.619 176.329 175.800 -0.150 0.000 1.103 350 F CA -0.213 57.660 58.000 -0.212 0.000 1.157 350 F CB 1.229 40.009 39.000 -0.368 0.000 1.167 350 F HN 0.493 nan 8.300 nan 0.000 0.529 351 E N 0.428 120.693 120.200 0.109 0.000 2.412 351 E HA 0.753 5.103 4.350 0.000 0.000 0.279 351 E C -2.152 174.550 176.600 0.170 0.000 0.984 351 E CA -1.087 55.372 56.400 0.098 0.000 0.788 351 E CB 2.518 32.279 29.700 0.102 0.000 1.277 351 E HN 0.490 nan 8.360 nan 0.000 0.455 352 V N 0.713 120.741 119.914 0.189 0.000 3.178 352 V HA 0.441 4.561 4.120 0.000 0.000 0.302 352 V C -2.120 174.125 176.094 0.252 0.000 1.262 352 V CA -0.518 61.920 62.300 0.229 0.000 1.030 352 V CB 2.546 34.502 31.823 0.223 0.000 1.074 352 V HN 0.866 nan 8.190 nan 0.000 0.438 353 D N 4.616 125.143 120.400 0.212 0.000 2.505 353 D HA 0.658 5.298 4.640 0.000 0.000 0.250 353 D C -0.624 175.776 176.300 0.166 0.000 1.164 353 D CA -0.085 54.046 54.000 0.218 0.000 0.870 353 D CB 1.570 42.522 40.800 0.254 0.000 1.160 353 D HN 0.739 nan 8.370 nan 0.000 0.549 354 L N -0.709 120.607 121.223 0.154 0.000 2.376 354 L HA 0.872 5.212 4.340 0.000 0.000 0.258 354 L C -2.849 174.055 176.870 0.057 0.000 1.013 354 L CA -2.564 52.349 54.840 0.122 0.000 0.822 354 L CB 1.772 43.950 42.059 0.198 0.000 1.388 354 L HN -0.012 nan 8.230 nan 0.000 0.413 355 P HA 0.015 nan 4.420 nan 0.000 0.267 355 P C -0.049 177.271 177.300 0.033 0.000 1.200 355 P CA 0.038 63.143 63.100 0.008 0.000 0.772 355 P CB 0.240 31.947 31.700 0.012 0.000 0.855 356 Y N 3.340 123.572 120.300 -0.112 0.000 2.132 356 Y HA -0.296 4.254 4.550 0.000 0.000 0.280 356 Y C 1.804 177.655 175.900 -0.082 0.000 1.193 356 Y CA 1.918 59.953 58.100 -0.110 0.000 1.157 356 Y CB -0.787 37.569 38.460 -0.173 0.000 0.966 356 Y HN 0.090 nan 8.280 nan 0.000 0.511 357 V N 0.111 119.958 119.914 -0.111 0.000 2.379 357 V HA -0.236 3.884 4.120 0.000 0.000 0.245 357 V C 2.079 178.048 176.094 -0.208 0.000 1.044 357 V CA 2.037 64.206 62.300 -0.219 0.000 1.036 357 V CB -0.574 31.199 31.823 -0.083 0.000 0.664 357 V HN 0.370 nan 8.190 nan 0.000 0.453 358 D N -0.327 120.013 120.400 -0.100 0.000 2.117 358 D HA -0.175 4.465 4.640 0.000 0.000 0.197 358 D C 1.924 178.148 176.300 -0.126 0.000 0.987 358 D CA 1.267 55.223 54.000 -0.073 0.000 0.829 358 D CB -0.236 40.574 40.800 0.017 0.000 0.961 358 D HN 0.435 nan 8.370 nan 0.000 0.460 359 F N 1.622 121.398 119.950 -0.291 0.000 2.126 359 F HA -0.155 4.372 4.527 0.000 0.000 0.299 359 F C 2.157 177.603 175.800 -0.590 0.000 1.096 359 F CA 1.193 58.900 58.000 -0.487 0.000 1.255 359 F CB -0.316 38.400 39.000 -0.473 0.000 0.997 359 F HN -0.113 nan 8.300 nan 0.000 0.479 360 L N -0.128 120.706 121.223 -0.648 0.000 2.109 360 L HA -0.135 4.205 4.340 0.000 0.000 0.207 360 L C 1.711 178.239 176.870 -0.569 0.000 1.086 360 L CA 0.894 55.262 54.840 -0.787 0.000 0.760 360 L CB -0.629 40.843 42.059 -0.979 0.000 0.910 360 L HN 0.175 nan 8.230 nan 0.000 0.437 361 L N 0.122 121.100 121.223 -0.410 0.000 2.688 361 L HA 0.077 4.417 4.340 0.000 0.000 0.234 361 L C 2.267 179.004 176.870 -0.221 0.000 1.192 361 L CA -0.147 54.521 54.840 -0.287 0.000 0.984 361 L CB -0.545 41.387 42.059 -0.212 0.000 1.232 361 L HN 0.276 nan 8.230 nan 0.000 0.465 362 R N -0.376 119.946 120.500 -0.296 0.000 2.159 362 R HA -0.103 4.237 4.340 0.000 0.000 0.237 362 R C 1.510 177.781 176.300 -0.049 0.000 1.131 362 R CA 1.277 57.286 56.100 -0.152 0.000 0.982 362 R CB -0.880 29.237 30.300 -0.306 0.000 0.868 362 R HN 0.269 nan 8.270 nan 0.000 0.453 363 V N 1.730 121.602 119.914 -0.071 0.000 2.720 363 V HA -0.170 3.950 4.120 0.000 0.000 0.256 363 V C 2.156 178.279 176.094 0.048 0.000 1.082 363 V CA 1.711 64.048 62.300 0.060 0.000 1.101 363 V CB -0.490 31.434 31.823 0.168 0.000 0.693 363 V HN 0.374 nan 8.190 nan 0.000 0.479 364 K N 0.018 120.395 120.400 -0.037 0.000 2.209 364 K HA -0.159 4.161 4.320 0.000 0.000 0.204 364 K C 2.326 178.885 176.600 -0.069 0.000 1.048 364 K CA 1.154 57.396 56.287 -0.075 0.000 0.940 364 K CB -0.184 32.259 32.500 -0.095 0.000 0.729 364 K HN 0.475 nan 8.250 nan 0.000 0.451 365 R N -0.012 120.476 120.500 -0.019 0.000 2.096 365 R HA -0.055 4.285 4.340 0.000 0.000 0.235 365 R C 2.285 178.574 176.300 -0.019 0.000 1.127 365 R CA 1.466 57.563 56.100 -0.005 0.000 0.968 365 R CB -0.117 30.213 30.300 0.051 0.000 0.861 365 R HN 0.022 nan 8.270 nan 0.000 0.440 366 S N 0.453 116.159 115.700 0.010 0.000 2.446 366 S HA -0.089 4.381 4.470 0.000 0.000 0.225 366 S C 1.732 176.329 174.600 -0.005 0.000 1.016 366 S CA 0.562 58.778 58.200 0.027 0.000 0.943 366 S CB 0.114 63.387 63.200 0.121 0.000 0.786 366 S HN 0.370 nan 8.310 nan 0.000 0.508 367 E N 1.320 121.424 120.200 -0.161 0.000 2.106 367 E HA -0.218 4.132 4.350 0.000 0.000 0.192 367 E C 1.928 178.243 176.600 -0.476 0.000 0.984 367 E CA 1.151 57.137 56.400 -0.690 0.000 0.806 367 E CB -0.018 29.177 29.700 -0.842 0.000 0.750 367 E HN 0.405 nan 8.360 nan 0.000 0.458 368 E N 1.014 121.068 120.200 -0.243 0.000 2.007 368 E HA -0.175 4.175 4.350 0.000 0.000 0.194 368 E C 1.981 178.533 176.600 -0.081 0.000 0.999 368 E CA 1.679 57.991 56.400 -0.147 0.000 0.811 368 E CB -0.446 29.198 29.700 -0.094 0.000 0.762 368 E HN 0.359 nan 8.360 nan 0.000 0.450 369 I N 0.871 121.406 120.570 -0.058 0.000 2.185 369 I HA -0.368 3.802 4.170 0.000 0.000 0.246 369 I C 2.436 178.549 176.117 -0.006 0.000 1.088 369 I CA 1.256 62.532 61.300 -0.041 0.000 1.347 369 I CB -0.579 37.382 38.000 -0.064 0.000 1.041 369 I HN 0.276 nan 8.210 nan 0.000 0.415 370 A N 0.936 123.776 122.820 0.034 0.000 1.869 370 A HA -0.304 4.016 4.320 0.000 0.000 0.218 370 A C 2.325 180.075 177.584 0.277 0.000 1.203 370 A CA 2.290 54.460 52.037 0.222 0.000 0.638 370 A CB -0.633 18.721 19.000 0.589 0.000 0.831 370 A HN 0.371 nan 8.150 nan 0.000 0.450 371 K N -1.140 119.362 120.400 0.170 0.000 2.097 371 K HA -0.135 4.185 4.320 0.000 0.000 0.205 371 K C 2.082 178.742 176.600 0.100 0.000 1.050 371 K CA 1.344 57.729 56.287 0.164 0.000 0.938 371 K CB -0.080 32.436 32.500 0.026 0.000 0.718 371 K HN 0.447 nan 8.250 nan 0.000 0.442 372 E N 1.499 121.727 120.200 0.047 0.000 2.268 372 E HA -0.157 4.193 4.350 0.000 0.000 0.195 372 E C 0.926 177.548 176.600 0.036 0.000 0.995 372 E CA 1.318 57.735 56.400 0.028 0.000 0.836 372 E CB -0.082 29.619 29.700 0.001 0.000 0.763 372 E HN 0.418 nan 8.360 nan 0.000 0.491 373 N N -1.685 117.046 118.700 0.052 0.000 2.236 373 N HA 0.148 4.888 4.740 0.000 0.000 0.196 373 N C 1.188 176.740 175.510 0.071 0.000 1.114 373 N CA 0.707 53.782 53.050 0.041 0.000 0.859 373 N CB 0.602 39.093 38.487 0.007 0.000 0.982 373 N HN 0.129 nan 8.380 nan 0.000 0.493 374 G N -0.388 108.480 108.800 0.113 0.000 2.225 374 G HA2 -0.378 3.582 3.960 0.000 0.000 0.254 374 G HA3 -0.378 3.582 3.960 0.000 0.000 0.254 374 G C 1.109 176.099 174.900 0.149 0.000 0.988 374 G CA 0.947 46.116 45.100 0.116 0.000 0.625 374 G HN 0.629 nan 8.290 nan 0.000 0.527 375 T N -3.676 111.009 114.554 0.218 0.000 3.054 375 T HA 0.048 4.398 4.350 0.000 0.000 0.259 375 T C 1.810 176.820 174.700 0.517 0.000 1.092 375 T CA 1.172 63.461 62.100 0.314 0.000 1.121 375 T CB -0.272 68.884 68.868 0.479 0.000 0.912 375 T HN 0.615 nan 8.240 nan 0.000 0.489 376 W N 2.494 124.027 121.300 0.388 0.000 2.387 376 W HA -0.102 4.558 4.660 0.000 0.000 0.272 376 W C 0.626 177.293 176.519 0.246 0.000 1.224 376 W CA 1.333 58.943 57.345 0.441 0.000 1.210 376 W CB 0.099 29.755 29.460 0.326 0.000 1.125 376 W HN 0.346 nan 8.180 nan 0.000 0.572 377 E N -0.790 119.534 120.200 0.207 0.000 2.415 377 E HA -0.003 4.347 4.350 0.000 0.000 0.197 377 E C 1.273 177.787 176.600 -0.143 0.000 1.007 377 E CA 0.811 57.224 56.400 0.022 0.000 0.890 377 E CB -0.336 29.425 29.700 0.102 0.000 0.891 377 E HN 0.037 nan 8.360 nan 0.000 0.496 378 T N -1.145 113.290 114.554 -0.198 0.000 2.770 378 T HA 0.389 4.739 4.350 0.000 0.000 0.281 378 T C -2.474 171.826 174.700 -0.666 0.000 0.981 378 T CA -2.061 59.850 62.100 -0.316 0.000 0.955 378 T CB 0.662 69.411 68.868 -0.199 0.000 1.060 378 T HN -0.288 nan 8.240 nan 0.000 0.531 379 P HA 0.241 nan 4.420 nan 0.000 0.269 379 P C -0.867 175.983 177.300 -0.751 0.000 1.209 379 P CA -0.083 62.708 63.100 -0.516 0.000 0.776 379 P CB 0.079 31.617 31.700 -0.269 0.000 0.876 380 H N 2.299 121.210 119.070 -0.266 0.000 2.675 380 H HA 0.273 4.829 4.556 0.000 0.000 0.258 380 H C -2.039 173.351 175.328 0.103 0.000 1.271 380 H CA -1.661 54.318 56.048 -0.115 0.000 1.462 380 H CB 0.508 30.109 29.762 -0.268 0.000 1.467 380 H HN 0.265 nan 8.280 nan 0.000 0.501 381 P HA -0.017 nan 4.420 nan 0.000 0.226 381 P C -0.342 177.068 177.300 0.183 0.000 1.758 381 P CA -0.456 62.710 63.100 0.110 0.000 0.896 381 P CB -0.346 31.362 31.700 0.014 0.000 1.784 382 W N 0.826 122.104 121.300 -0.036 0.000 2.325 382 W HA 0.064 4.724 4.660 0.000 0.000 0.351 382 W C 0.659 177.186 176.519 0.014 0.000 1.279 382 W CA 0.709 58.053 57.345 -0.003 0.000 1.395 382 W CB -0.281 29.177 29.460 -0.003 0.000 1.250 382 W HN 0.013 nan 8.180 nan 0.000 0.629 383 L N 3.063 124.403 121.223 0.195 0.000 2.438 383 L HA 0.467 4.807 4.340 0.000 0.000 0.270 383 L C -1.235 175.755 176.870 0.200 0.000 0.972 383 L CA -0.560 54.373 54.840 0.155 0.000 0.831 383 L CB 1.169 43.286 42.059 0.097 0.000 1.273 383 L HN 0.319 nan 8.230 nan 0.000 0.405 384 N N 6.618 125.428 118.700 0.184 0.000 2.352 384 N HA 0.802 5.542 4.740 0.000 0.000 0.291 384 N C -1.573 173.997 175.510 0.100 0.000 1.040 384 N CA -0.299 52.862 53.050 0.184 0.000 0.864 384 N CB 2.461 41.084 38.487 0.226 0.000 1.440 384 N HN 0.740 nan 8.380 nan 0.000 0.483 385 L N -2.062 119.165 121.223 0.007 0.000 2.775 385 L HA 0.677 5.017 4.340 0.000 0.000 0.263 385 L C -1.736 175.030 176.870 -0.173 0.000 1.017 385 L CA -1.012 53.802 54.840 -0.044 0.000 0.891 385 L CB 1.354 43.513 42.059 0.168 0.000 1.482 385 L HN 0.068 nan 8.230 nan 0.000 0.410 386 F N 1.226 121.265 119.950 0.149 0.000 2.427 386 F HA 0.672 5.199 4.527 0.000 0.000 0.346 386 F C 0.077 175.935 175.800 0.097 0.000 1.120 386 F CA -0.773 57.286 58.000 0.099 0.000 1.033 386 F CB 2.088 41.088 39.000 -0.001 0.000 1.126 386 F HN 0.156 nan 8.300 nan 0.000 0.462 387 V N 3.229 123.302 119.914 0.266 0.000 2.305 387 V HA 0.232 4.352 4.120 0.000 0.000 0.275 387 V C -0.137 176.093 176.094 0.227 0.000 1.020 387 V CA -1.121 61.285 62.300 0.177 0.000 0.811 387 V CB 0.582 32.382 31.823 -0.040 0.000 1.031 387 V HN 0.861 nan 8.190 nan 0.000 0.439 388 S N 3.028 118.847 115.700 0.198 0.000 2.542 388 S HA -0.065 4.405 4.470 0.000 0.000 0.287 388 S C 1.365 176.098 174.600 0.222 0.000 1.315 388 S CA 0.229 58.555 58.200 0.210 0.000 1.037 388 S CB 0.776 64.031 63.200 0.091 0.000 0.822 388 S HN 0.826 nan 8.310 nan 0.000 0.513 389 K N 1.630 122.182 120.400 0.252 0.000 2.059 389 K HA -0.254 4.066 4.320 0.000 0.000 0.212 389 K C 2.213 178.898 176.600 0.142 0.000 1.050 389 K CA 1.873 58.303 56.287 0.238 0.000 0.927 389 K CB -0.256 32.358 32.500 0.191 0.000 0.714 389 K HN 0.712 nan 8.250 nan 0.000 0.447 390 R N -0.086 120.480 120.500 0.110 0.000 2.341 390 R HA -0.104 4.236 4.340 0.000 0.000 0.213 390 R C 0.617 176.971 176.300 0.090 0.000 1.082 390 R CA 1.493 57.643 56.100 0.084 0.000 1.017 390 R CB 0.166 30.501 30.300 0.059 0.000 0.860 390 R HN 0.327 nan 8.270 nan 0.000 0.473 391 D N -1.080 119.386 120.400 0.111 0.000 2.502 391 D HA -0.028 4.612 4.640 0.000 0.000 0.232 391 D C 1.216 177.616 176.300 0.167 0.000 1.137 391 D CA -0.002 54.075 54.000 0.129 0.000 0.827 391 D CB 0.350 41.224 40.800 0.122 0.000 1.141 391 D HN 0.138 nan 8.370 nan 0.000 0.517 392 I N 1.638 122.279 120.570 0.120 0.000 2.361 392 I HA -0.084 4.086 4.170 0.000 0.000 0.251 392 I C 2.122 178.365 176.117 0.209 0.000 1.133 392 I CA 1.458 62.798 61.300 0.066 0.000 1.413 392 I CB -0.270 37.567 38.000 -0.272 0.000 1.073 392 I HN -0.044 nan 8.210 nan 0.000 0.424 393 G N -0.127 108.805 108.800 0.220 0.000 2.440 393 G HA2 -0.282 3.678 3.960 0.000 0.000 0.218 393 G HA3 -0.282 3.678 3.960 0.000 0.000 0.218 393 G C 1.414 176.426 174.900 0.186 0.000 1.154 393 G CA 1.060 46.319 45.100 0.266 0.000 0.767 393 G HN 0.392 nan 8.290 nan 0.000 0.552 394 D N -0.670 119.866 120.400 0.226 0.000 2.310 394 D HA -0.019 4.621 4.640 0.000 0.000 0.212 394 D C 1.779 178.262 176.300 0.304 0.000 0.965 394 D CA 0.167 54.344 54.000 0.294 0.000 0.879 394 D CB -0.070 40.946 40.800 0.360 0.000 0.921 394 D HN 0.338 nan 8.370 nan 0.000 0.510 395 F N 1.462 121.445 119.950 0.054 0.000 2.149 395 F HA -0.091 4.436 4.527 0.000 0.000 0.294 395 F C 2.070 177.622 175.800 -0.414 0.000 1.095 395 F CA 0.993 58.875 58.000 -0.196 0.000 1.276 395 F CB -0.146 38.763 39.000 -0.152 0.000 1.023 395 F HN -0.154 nan 8.300 nan 0.000 0.480 396 N N 0.495 119.114 118.700 -0.135 0.000 2.223 396 N HA -0.234 4.506 4.740 0.000 0.000 0.185 396 N C 2.076 177.428 175.510 -0.263 0.000 1.016 396 N CA 1.412 54.292 53.050 -0.283 0.000 0.863 396 N CB -0.336 37.375 38.487 -1.293 0.000 0.983 396 N HN 0.297 nan 8.380 nan 0.000 0.429 397 R N -0.946 119.419 120.500 -0.224 0.000 2.097 397 R HA -0.121 4.219 4.340 0.000 0.000 0.236 397 R C 1.180 177.327 176.300 -0.256 0.000 1.135 397 R CA 2.314 58.319 56.100 -0.159 0.000 0.934 397 R CB -0.506 29.761 30.300 -0.055 0.000 0.846 397 R HN 0.277 nan 8.270 nan 0.000 0.431 398 T N -0.431 113.843 114.554 -0.468 0.000 3.045 398 T HA 0.086 4.436 4.350 0.000 0.000 0.239 398 T C 1.786 176.054 174.700 -0.721 0.000 1.008 398 T CA 0.623 62.348 62.100 -0.624 0.000 1.143 398 T CB 0.152 68.427 68.868 -0.988 0.000 0.894 398 T HN 0.023 nan 8.240 nan 0.000 0.451 399 V N 1.509 120.803 119.914 -1.033 0.000 2.223 399 V HA -0.096 4.024 4.120 0.000 0.000 0.244 399 V C 2.167 177.911 176.094 -0.583 0.000 1.045 399 V CA 1.789 63.461 62.300 -1.048 0.000 1.000 399 V CB -0.855 29.805 31.823 -1.939 0.000 0.635 399 V HN 0.297 nan 8.190 nan 0.000 0.445 400 F N 0.711 120.418 119.950 -0.405 0.000 2.084 400 F HA -0.058 4.469 4.527 0.000 0.000 0.296 400 F C 2.396 178.099 175.800 -0.161 0.000 1.111 400 F CA 1.341 59.239 58.000 -0.171 0.000 1.224 400 F CB -0.807 38.180 39.000 -0.021 0.000 0.991 400 F HN 0.044 nan 8.300 nan 0.000 0.471 401 K N -0.436 119.976 120.400 0.020 0.000 2.366 401 K HA -0.065 4.255 4.320 0.000 0.000 0.198 401 K C 1.409 177.951 176.600 -0.096 0.000 1.044 401 K CA 1.109 57.374 56.287 -0.037 0.000 0.973 401 K CB 0.070 32.548 32.500 -0.037 0.000 0.767 401 K HN 0.397 nan 8.250 nan 0.000 0.475 402 E N -0.409 119.692 120.200 -0.165 0.000 3.100 402 E HA 0.075 4.425 4.350 0.000 0.000 0.191 402 E C 1.829 178.312 176.600 -0.195 0.000 1.097 402 E CA -0.104 56.189 56.400 -0.178 0.000 1.339 402 E CB 0.064 29.636 29.700 -0.213 0.000 1.330 402 E HN -0.039 nan 8.360 nan 0.000 0.511 403 L N 1.471 122.526 121.223 -0.280 0.000 1.970 403 L HA -0.090 4.250 4.340 0.000 0.000 0.212 403 L C 1.904 178.674 176.870 -0.167 0.000 1.071 403 L CA 1.177 55.867 54.840 -0.251 0.000 0.751 403 L CB -0.475 41.374 42.059 -0.350 0.000 0.889 403 L HN 0.103 nan 8.230 nan 0.000 0.432 404 V N -2.320 117.509 119.914 -0.140 0.000 2.894 404 V HA 0.152 4.272 4.120 0.000 0.000 0.373 404 V C 1.396 177.474 176.094 -0.026 0.000 1.286 404 V CA -0.483 61.778 62.300 -0.065 0.000 1.331 404 V CB -0.395 31.414 31.823 -0.024 0.000 1.415 404 V HN 0.443 nan 8.190 nan 0.000 0.585 405 K N -0.105 120.263 120.400 -0.053 0.000 2.362 405 K HA 0.012 4.332 4.320 0.000 0.000 0.200 405 K C 0.895 177.461 176.600 -0.057 0.000 1.046 405 K CA 1.319 57.577 56.287 -0.048 0.000 0.952 405 K CB -0.171 32.290 32.500 -0.066 0.000 0.753 405 K HN 0.493 nan 8.250 nan 0.000 0.466 406 N N 1.171 119.837 118.700 -0.056 0.000 2.268 406 N HA 0.091 4.831 4.740 0.000 0.000 0.204 406 N C 0.284 175.762 175.510 -0.054 0.000 1.124 406 N CA 0.866 53.877 53.050 -0.064 0.000 0.838 406 N CB 0.970 39.418 38.487 -0.065 0.000 0.994 406 N HN 0.472 nan 8.380 nan 0.000 0.489 407 G N 0.328 109.109 108.800 -0.031 0.000 2.795 407 G HA2 -0.241 3.719 3.960 0.000 0.000 0.664 407 G HA3 -0.241 3.719 3.960 0.000 0.000 0.664 407 G C 0.297 175.186 174.900 -0.018 0.000 1.381 407 G CA -0.158 44.933 45.100 -0.015 0.000 0.853 407 G HN 0.364 nan 8.290 nan 0.000 0.545 408 V N -3.452 116.454 119.914 -0.013 0.000 3.276 408 V HA 0.487 4.607 4.120 0.000 0.000 0.319 408 V C 0.995 177.103 176.094 0.023 0.000 1.427 408 V CA 0.887 63.176 62.300 -0.018 0.000 1.102 408 V CB -0.137 31.652 31.823 -0.056 0.000 1.020 408 V HN 1.546 nan 8.190 nan 0.000 0.456 409 N N 0.606 119.320 118.700 0.023 0.000 2.921 409 N HA -0.101 4.639 4.740 0.000 0.000 0.248 409 N C 0.318 175.868 175.510 0.067 0.000 1.118 409 N CA 1.149 54.227 53.050 0.047 0.000 0.740 409 N CB -1.316 37.240 38.487 0.115 0.000 1.091 409 N HN 1.130 nan 8.380 nan 0.000 0.553 410 G N -1.088 107.729 108.800 0.027 0.000 2.490 410 G HA2 0.569 4.529 3.960 0.000 0.000 0.308 410 G HA3 0.569 4.529 3.960 0.000 0.000 0.308 410 G C -3.086 171.767 174.900 -0.079 0.000 1.286 410 G CA -0.556 44.547 45.100 0.005 0.000 0.825 410 G HN -0.030 nan 8.290 nan 0.000 0.479 414 V N 2.016 122.243 119.914 0.522 0.000 5.181 414 V HA 0.231 4.351 4.120 0.000 0.000 0.278 414 V C -1.784 174.646 176.094 0.559 0.000 1.005 414 V CA -0.336 62.259 62.300 0.491 0.000 1.576 414 V CB 0.493 32.671 31.823 0.591 0.000 0.383 414 V HN 0.643 nan 8.190 nan 0.000 0.453 415 Y N 4.592 125.084 120.300 0.318 0.000 2.487 415 Y HA 1.004 5.554 4.550 0.000 0.000 0.337 415 Y C -2.697 173.034 175.900 -0.281 0.000 1.076 415 Y CA -3.508 54.637 58.100 0.075 0.000 1.115 415 Y CB 1.295 39.763 38.460 0.014 0.000 1.235 415 Y HN 0.309 nan 8.280 nan 0.000 0.468 416 P HA 0.399 nan 4.420 nan 0.000 0.279 416 P C -1.091 175.921 177.300 -0.481 0.000 1.252 416 P CA -0.167 62.332 63.100 -1.002 0.000 0.811 416 P CB 2.186 33.241 31.700 -1.075 0.000 1.035 417 L N 0.637 121.500 121.223 -0.600 0.000 2.303 417 L HA 0.521 4.861 4.340 0.000 0.000 0.256 417 L C -0.629 175.934 176.870 -0.513 0.000 1.034 417 L CA -1.232 53.320 54.840 -0.481 0.000 0.832 417 L CB 1.660 43.194 42.059 -0.874 0.000 1.403 417 L HN 0.142 nan 8.230 nan 0.000 0.419 418 L N 1.036 122.113 121.223 -0.244 0.000 2.342 418 L HA 0.411 4.751 4.340 0.000 0.000 0.276 418 L C 0.981 177.910 176.870 0.098 0.000 0.997 418 L CA 0.052 54.847 54.840 -0.075 0.000 0.838 418 L CB 1.272 43.354 42.059 0.039 0.000 1.224 418 L HN 0.495 nan 8.230 nan 0.000 0.416 419 R N 1.320 121.922 120.500 0.171 0.000 2.139 419 R HA -0.185 4.155 4.340 0.000 0.000 0.243 419 R C 1.796 178.262 176.300 0.276 0.000 1.145 419 R CA 1.840 58.126 56.100 0.310 0.000 0.976 419 R CB 0.233 30.630 30.300 0.161 0.000 0.866 419 R HN 0.849 nan 8.270 nan 0.000 0.449 420 S N 0.384 116.197 115.700 0.188 0.000 2.400 420 S HA -0.131 4.339 4.470 0.000 0.000 0.232 420 S C 1.785 176.496 174.600 0.185 0.000 1.025 420 S CA 0.787 59.076 58.200 0.148 0.000 0.993 420 S CB -0.303 62.947 63.200 0.083 0.000 0.808 420 S HN 0.349 nan 8.310 nan 0.000 0.478 421 R N 0.089 120.742 120.500 0.254 0.000 2.189 421 R HA 0.081 4.421 4.340 0.000 0.000 0.223 421 R C -0.289 176.111 176.300 0.167 0.000 1.092 421 R CA 0.361 56.562 56.100 0.168 0.000 0.989 421 R CB -0.559 29.799 30.300 0.096 0.000 0.876 421 R HN 0.528 nan 8.270 nan 0.000 0.457 422 W N 1.557 122.894 121.300 0.062 0.000 2.315 422 W HA 0.196 4.856 4.660 0.000 0.000 0.316 422 W C 0.343 176.886 176.519 0.040 0.000 1.211 422 W CA -0.917 56.465 57.345 0.062 0.000 1.201 422 W CB 0.476 29.979 29.460 0.070 0.000 1.184 422 W HN -0.181 nan 8.180 nan 0.000 0.544 423 D N 2.932 123.464 120.400 0.220 0.000 2.317 423 D HA -0.011 4.629 4.640 0.000 0.000 0.234 423 D C 0.670 177.034 176.300 0.107 0.000 1.112 423 D CA -0.150 53.929 54.000 0.131 0.000 0.840 423 D CB 0.936 41.809 40.800 0.122 0.000 1.078 423 D HN 0.512 nan 8.370 nan 0.000 0.486 424 D N 2.719 123.150 120.400 0.052 0.000 2.378 424 D HA -0.100 4.540 4.640 0.000 0.000 0.227 424 D C 1.245 177.534 176.300 -0.019 0.000 1.012 424 D CA 0.459 54.477 54.000 0.031 0.000 0.905 424 D CB -0.019 40.786 40.800 0.008 0.000 0.895 424 D HN 0.299 nan 8.370 nan 0.000 0.532 425 R N 0.062 120.485 120.500 -0.127 0.000 2.153 425 R HA 0.044 4.384 4.340 0.000 0.000 0.218 425 R C 1.101 177.365 176.300 -0.060 0.000 1.072 425 R CA 1.045 56.961 56.100 -0.307 0.000 0.990 425 R CB -0.345 29.337 30.300 -1.030 0.000 0.889 425 R HN 0.372 nan 8.270 nan 0.000 0.452 426 T N -2.006 112.623 114.554 0.126 0.000 2.748 426 T HA 0.042 4.392 4.350 0.000 0.000 0.304 426 T C 1.038 175.898 174.700 0.266 0.000 1.041 426 T CA -0.443 61.812 62.100 0.258 0.000 1.033 426 T CB 1.352 70.368 68.868 0.246 0.000 0.995 426 T HN -0.139 nan 8.240 nan 0.000 0.536 427 S N 0.109 116.013 115.700 0.340 0.000 2.650 427 S HA 0.168 4.638 4.470 0.000 0.000 0.219 427 S C 0.790 175.694 174.600 0.507 0.000 0.960 427 S CA -0.433 58.072 58.200 0.509 0.000 0.925 427 S CB -0.495 63.143 63.200 0.730 0.000 0.775 427 S HN 0.552 nan 8.310 nan 0.000 0.525 428 V N 1.772 121.922 119.914 0.393 0.000 3.096 428 V HA 0.180 4.300 4.120 0.000 0.000 0.306 428 V C 0.216 176.470 176.094 0.267 0.000 1.088 428 V CA -0.018 62.514 62.300 0.385 0.000 1.129 428 V CB 1.285 33.361 31.823 0.421 0.000 1.014 428 V HN 0.078 nan 8.190 nan 0.000 0.486 429 V N 4.652 124.683 119.914 0.195 0.000 2.525 429 V HA 0.559 4.679 4.120 0.000 0.000 0.299 429 V C -0.335 175.655 176.094 -0.174 0.000 1.034 429 V CA -0.330 61.949 62.300 -0.035 0.000 0.863 429 V CB 1.427 33.117 31.823 -0.221 0.000 0.999 429 V HN 0.770 nan 8.190 nan 0.000 0.423 430 I N 2.388 122.699 120.570 -0.432 0.000 3.239 430 I HA 0.802 4.972 4.170 0.000 0.000 0.314 430 I C -2.765 172.987 176.117 -0.608 0.000 1.126 430 I CA -3.013 57.791 61.300 -0.826 0.000 0.973 430 I CB 2.124 39.143 38.000 -1.635 0.000 1.252 430 I HN 0.332 nan 8.210 nan 0.000 0.463 431 P HA 0.072 nan 4.420 nan 0.000 0.267 431 P C -0.066 177.046 177.300 -0.313 0.000 1.201 431 P CA 0.046 62.939 63.100 -0.344 0.000 0.775 431 P CB 0.496 32.068 31.700 -0.215 0.000 0.854 432 E N 0.191 120.273 120.200 -0.198 0.000 2.106 432 E HA -0.140 4.210 4.350 0.000 0.000 0.192 432 E C 0.715 177.246 176.600 -0.115 0.000 0.984 432 E CA 1.011 57.322 56.400 -0.149 0.000 0.806 432 E CB 0.213 29.848 29.700 -0.108 0.000 0.750 432 E HN 0.473 nan 8.360 nan 0.000 0.458 433 E N 0.065 120.212 120.200 -0.088 0.000 2.293 433 E HA 0.428 4.778 4.350 0.000 0.000 0.270 433 E C -0.795 175.795 176.600 -0.017 0.000 0.879 433 E CA -0.304 56.068 56.400 -0.047 0.000 0.756 433 E CB 1.868 31.553 29.700 -0.025 0.000 1.208 433 E HN 0.145 nan 8.360 nan 0.000 0.428 434 G N 3.567 112.367 108.800 -0.000 0.000 2.841 434 G HA2 -0.119 3.841 3.960 0.000 0.000 0.684 434 G HA3 -0.119 3.841 3.960 0.000 0.000 0.684 434 G C 0.258 175.188 174.900 0.050 0.000 1.273 434 G CA -0.042 45.079 45.100 0.035 0.000 0.811 434 G HN 0.580 nan 8.290 nan 0.000 0.631 435 E N 0.435 120.663 120.200 0.047 0.000 2.482 435 E HA 0.150 4.500 4.350 0.000 0.000 0.196 435 E C 0.919 177.553 176.600 0.057 0.000 1.047 435 E CA 0.509 56.940 56.400 0.052 0.000 0.869 435 E CB 0.622 30.342 29.700 0.033 0.000 0.836 435 E HN 0.554 nan 8.360 nan 0.000 0.520 436 I N 1.395 121.997 120.570 0.053 0.000 2.499 436 I HA 0.332 4.502 4.170 0.000 0.000 0.288 436 I C -0.975 175.181 176.117 0.065 0.000 1.048 436 I CA -1.326 59.956 61.300 -0.030 0.000 1.062 436 I CB 1.388 39.338 38.000 -0.083 0.000 1.238 436 I HN -0.045 nan 8.210 nan 0.000 0.426 437 F N 4.158 124.017 119.950 -0.151 0.000 2.603 437 F HA 0.676 5.203 4.527 0.000 0.000 0.317 437 F C -1.570 174.165 175.800 -0.109 0.000 1.066 437 F CA -1.297 56.654 58.000 -0.082 0.000 0.941 437 F CB 0.777 39.669 39.000 -0.180 0.000 1.291 437 F HN 0.151 nan 8.300 nan 0.000 0.472 438 Y N 2.132 122.470 120.300 0.064 0.000 2.361 438 Y HA 0.546 5.096 4.550 0.000 0.000 0.332 438 Y C -0.108 175.850 175.900 0.096 0.000 1.101 438 Y CA -0.878 57.205 58.100 -0.029 0.000 1.137 438 Y CB 1.713 40.170 38.460 -0.005 0.000 1.207 438 Y HN 0.686 nan 8.280 nan 0.000 0.463 439 I N 4.038 124.630 120.570 0.037 0.000 2.396 439 I HA 0.540 4.710 4.170 0.000 0.000 0.292 439 I C -0.879 175.230 176.117 -0.013 0.000 0.999 439 I CA -0.407 60.905 61.300 0.021 0.000 1.310 439 I CB 0.424 38.319 38.000 -0.174 0.000 1.404 439 I HN 0.313 nan 8.210 nan 0.000 0.496 440 V N 5.717 125.622 119.914 -0.014 0.000 3.019 440 V HA 1.002 5.122 4.120 0.000 0.000 0.317 440 V C -0.293 175.876 176.094 0.125 0.000 1.094 440 V CA -0.538 61.797 62.300 0.058 0.000 1.000 440 V CB 1.274 33.017 31.823 -0.134 0.000 1.060 440 V HN 1.097 nan 8.190 nan 0.000 0.443 441 A N 2.709 125.665 122.820 0.226 0.000 2.104 441 A HA 0.465 4.785 4.320 0.000 0.000 0.294 441 A C -1.332 176.361 177.584 0.181 0.000 0.988 441 A CA -0.589 51.593 52.037 0.242 0.000 0.992 441 A CB -0.103 19.092 19.000 0.326 0.000 1.198 441 A HN 0.736 nan 8.150 nan 0.000 0.345 442 L N 3.164 124.442 121.223 0.091 0.000 2.281 442 L HA 0.378 4.718 4.340 0.000 0.000 0.285 442 L C 0.251 176.803 176.870 -0.530 0.000 1.074 442 L CA -0.312 54.491 54.840 -0.062 0.000 0.817 442 L CB 0.905 42.961 42.059 -0.004 0.000 1.168 442 L HN 0.661 nan 8.230 nan 0.000 0.434 443 L N 4.579 125.349 121.223 -0.754 0.000 2.719 443 L HA 0.329 4.669 4.340 0.000 0.000 0.236 443 L C 0.412 176.705 176.870 -0.961 0.000 1.285 443 L CA -0.474 53.303 54.840 -1.772 0.000 1.222 443 L CB -0.770 40.691 42.059 -0.996 0.000 1.493 443 L HN 0.615 nan 8.230 nan 0.000 0.415 444 R N 0.925 120.909 120.500 -0.860 0.000 2.504 444 R HA 0.214 4.554 4.340 0.000 0.000 0.291 444 R C -0.761 175.463 176.300 -0.128 0.000 0.974 444 R CA 0.420 56.341 56.100 -0.298 0.000 1.077 444 R CB 0.208 30.387 30.300 -0.202 0.000 0.926 444 R HN 0.125 nan 8.270 nan 0.000 0.407 445 F N 0.654 120.617 119.950 0.023 0.000 2.613 445 F HA 0.435 4.962 4.527 0.000 0.000 0.342 445 F C 0.223 176.003 175.800 -0.033 0.000 1.066 445 F CA -1.037 57.030 58.000 0.113 0.000 1.002 445 F CB 1.496 40.598 39.000 0.169 0.000 1.319 445 F HN 0.031 nan 8.300 nan 0.000 0.495 446 V N 2.797 122.766 119.914 0.091 0.000 2.380 446 V HA 0.350 4.470 4.120 0.000 0.000 0.286 446 V C -2.425 173.684 176.094 0.026 0.000 1.015 446 V CA -2.063 60.229 62.300 -0.015 0.000 0.834 446 V CB 1.473 33.211 31.823 -0.141 0.000 1.009 446 V HN 0.442 nan 8.190 nan 0.000 0.428 447 P HA 0.155 nan 4.420 nan 0.000 0.268 447 P C -1.772 175.530 177.300 0.003 0.000 1.204 447 P CA -1.228 61.886 63.100 0.023 0.000 0.768 447 P CB 0.290 31.994 31.700 0.006 0.000 0.842 448 P HA -0.216 nan 4.420 nan 0.000 0.218 448 P C 0.638 177.931 177.300 -0.011 0.000 1.146 448 P CA 1.377 64.476 63.100 -0.001 0.000 0.820 448 P CB -0.259 31.447 31.700 0.010 0.000 0.778 449 C N -0.051 119.242 119.300 -0.010 0.000 2.489 449 C HA 0.232 4.692 4.460 0.000 0.000 0.279 449 C C 1.843 176.821 174.990 -0.020 0.000 1.266 449 C CA 0.275 59.284 59.018 -0.015 0.000 1.707 449 C CB -1.568 26.163 27.740 -0.015 0.000 2.059 449 C HN 0.293 nan 8.230 nan 0.000 0.481 450 A N 1.494 124.301 122.820 -0.022 0.000 2.632 450 A HA 0.034 4.354 4.320 0.000 0.000 0.231 450 A C 0.281 177.846 177.584 -0.030 0.000 1.027 450 A CA 0.894 52.915 52.037 -0.027 0.000 0.759 450 A CB 0.017 18.999 19.000 -0.030 0.000 0.939 450 A HN 0.714 nan 8.150 nan 0.000 0.505 451 K N 1.512 121.894 120.400 -0.030 0.000 2.120 451 K HA 0.305 4.625 4.320 0.000 0.000 0.245 451 K C 1.146 177.725 176.600 -0.035 0.000 1.024 451 K CA -0.418 55.851 56.287 -0.030 0.000 0.906 451 K CB 0.495 32.980 32.500 -0.026 0.000 1.051 451 K HN 0.349 nan 8.250 nan 0.000 0.491 452 V N 0.914 120.807 119.914 -0.035 0.000 2.626 452 V HA -0.232 3.888 4.120 0.000 0.000 0.252 452 V C 2.145 178.217 176.094 -0.037 0.000 1.067 452 V CA 2.108 64.384 62.300 -0.039 0.000 1.081 452 V CB -0.828 30.974 31.823 -0.035 0.000 0.686 452 V HN 0.913 nan 8.190 nan 0.000 0.468 453 S N -0.467 115.214 115.700 -0.032 0.000 2.419 453 S HA -0.214 4.256 4.470 0.000 0.000 0.235 453 S C 2.057 176.637 174.600 -0.034 0.000 1.019 453 S CA 1.566 59.748 58.200 -0.030 0.000 0.982 453 S CB -0.508 62.675 63.200 -0.028 0.000 0.789 453 S HN 0.503 nan 8.310 nan 0.000 0.490 454 S N 1.427 117.105 115.700 -0.037 0.000 2.348 454 S HA -0.047 4.423 4.470 0.000 0.000 0.221 454 S C 1.917 176.491 174.600 -0.043 0.000 1.033 454 S CA 1.396 59.573 58.200 -0.039 0.000 1.010 454 S CB -0.571 62.605 63.200 -0.040 0.000 0.891 454 S HN 0.467 nan 8.310 nan 0.000 0.442 455 V N 1.818 121.703 119.914 -0.049 0.000 2.594 455 V HA -0.101 4.019 4.120 0.000 0.000 0.253 455 V C 2.458 178.528 176.094 -0.040 0.000 1.069 455 V CA 1.332 63.601 62.300 -0.053 0.000 1.082 455 V CB -0.510 31.273 31.823 -0.067 0.000 0.680 455 V HN 0.412 nan 8.190 nan 0.000 0.469 456 E N 0.427 120.605 120.200 -0.036 0.000 2.072 456 E HA -0.110 4.240 4.350 0.000 0.000 0.190 456 E C 1.511 178.094 176.600 -0.029 0.000 0.982 456 E CA 0.442 56.824 56.400 -0.029 0.000 0.803 456 E CB 0.120 29.804 29.700 -0.027 0.000 0.755 456 E HN 0.606 nan 8.360 nan 0.000 0.453 460 A N -0.010 122.799 122.820 -0.019 0.000 1.908 460 A HA -0.328 3.992 4.320 0.000 0.000 0.218 460 A C 1.940 179.506 177.584 -0.029 0.000 1.181 460 A CA 2.739 54.761 52.037 -0.024 0.000 0.627 460 A CB -0.518 18.462 19.000 -0.032 0.000 0.818 460 A HN 0.652 nan 8.150 nan 0.000 0.445 461 Q N -0.642 119.137 119.800 -0.035 0.000 2.167 461 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 461 Q C 1.654 177.633 176.000 -0.035 0.000 0.970 461 Q CA 1.456 57.231 55.803 -0.046 0.000 0.855 461 Q CB -0.122 28.581 28.738 -0.058 0.000 0.911 461 Q HN 0.667 nan 8.270 nan 0.000 0.438 462 N N 0.527 119.216 118.700 -0.018 0.000 2.142 462 N HA -0.162 4.578 4.740 0.000 0.000 0.186 462 N C 1.632 177.149 175.510 0.013 0.000 1.023 462 N CA 1.318 54.367 53.050 -0.001 0.000 0.852 462 N CB -0.194 38.301 38.487 0.013 0.000 0.998 462 N HN 0.383 nan 8.380 nan 0.000 0.424 463 Q N 0.554 120.363 119.800 0.015 0.000 2.124 463 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 463 Q C 1.910 177.948 176.000 0.062 0.000 0.977 463 Q CA 1.196 57.021 55.803 0.038 0.000 0.850 463 Q CB -0.105 28.647 28.738 0.024 0.000 0.901 463 Q HN 0.565 nan 8.270 nan 0.000 0.429 464 E N 1.198 121.415 120.200 0.028 0.000 2.051 464 E HA -0.197 4.153 4.350 0.000 0.000 0.192 464 E C 1.936 178.592 176.600 0.093 0.000 0.991 464 E CA 0.905 57.328 56.400 0.039 0.000 0.799 464 E CB -0.117 29.567 29.700 -0.026 0.000 0.748 464 E HN 0.333 nan 8.360 nan 0.000 0.449 465 I N 0.713 121.296 120.570 0.022 0.000 2.208 465 I HA -0.264 3.906 4.170 0.000 0.000 0.245 465 I C 2.451 178.589 176.117 0.036 0.000 1.097 465 I CA 0.794 62.099 61.300 0.009 0.000 1.363 465 I CB -0.153 37.809 38.000 -0.063 0.000 1.051 465 I HN 0.103 nan 8.210 nan 0.000 0.413 466 V N 0.268 120.186 119.914 0.006 0.000 2.407 466 V HA -0.318 3.802 4.120 0.000 0.000 0.248 466 V C 2.502 178.602 176.094 0.011 0.000 1.055 466 V CA 1.979 64.249 62.300 -0.050 0.000 1.049 466 V CB -0.862 31.024 31.823 0.105 0.000 0.662 466 V HN 0.522 nan 8.190 nan 0.000 0.455 467 H N -1.982 117.095 119.070 0.012 0.000 2.326 467 H HA -0.238 4.318 4.556 0.000 0.000 0.301 467 H C 2.157 177.485 175.328 -0.001 0.000 1.081 467 H CA 2.311 58.369 56.048 0.017 0.000 1.334 467 H CB -0.127 29.650 29.762 0.026 0.000 1.385 467 H HN 0.611 nan 8.280 nan 0.000 0.504 468 W N 1.161 122.480 121.300 0.031 0.000 2.374 468 W HA -0.184 4.476 4.660 0.000 0.000 0.288 468 W C 2.437 178.889 176.519 -0.112 0.000 1.218 468 W CA 1.568 58.891 57.345 -0.036 0.000 1.245 468 W CB -0.725 28.682 29.460 -0.089 0.000 1.126 468 W HN 0.177 nan 8.180 nan 0.000 0.545 469 C N -0.841 118.330 119.300 -0.214 0.000 2.466 469 C HA -0.126 4.334 4.460 0.000 0.000 0.278 469 C C 2.792 177.604 174.990 -0.297 0.000 1.288 469 C CA 1.148 59.892 59.018 -0.457 0.000 1.722 469 C CB -1.228 26.099 27.740 -0.689 0.000 2.017 469 C HN 0.212 nan 8.230 nan 0.000 0.488 470 V N 1.240 121.069 119.914 -0.142 0.000 2.343 470 V HA -0.224 3.896 4.120 0.000 0.000 0.247 470 V C 2.499 178.461 176.094 -0.219 0.000 1.051 470 V CA 2.107 64.371 62.300 -0.060 0.000 1.036 470 V CB -0.632 31.148 31.823 -0.071 0.000 0.654 470 V HN 0.580 nan 8.190 nan 0.000 0.451 471 K N -0.011 120.187 120.400 -0.338 0.000 2.283 471 K HA -0.108 4.212 4.320 0.000 0.000 0.202 471 K C 1.398 177.813 176.600 -0.309 0.000 1.048 471 K CA 1.232 57.331 56.287 -0.313 0.000 0.948 471 K CB -0.059 32.268 32.500 -0.288 0.000 0.742 471 K HN 0.457 nan 8.250 nan 0.000 0.458 472 N N 0.090 118.517 118.700 -0.454 0.000 2.251 472 N HA 0.038 4.778 4.740 0.000 0.000 0.217 472 N C -0.035 175.293 175.510 -0.303 0.000 1.124 472 N CA 0.690 53.473 53.050 -0.444 0.000 0.843 472 N CB 1.193 39.214 38.487 -0.777 0.000 1.024 472 N HN 0.371 nan 8.380 nan 0.000 0.501 473 G N 1.689 110.355 108.800 -0.223 0.000 2.283 473 G HA2 -0.248 3.712 3.960 0.000 0.000 0.280 473 G HA3 -0.248 3.712 3.960 0.000 0.000 0.280 473 G C 0.141 174.987 174.900 -0.090 0.000 1.029 473 G CA -0.195 44.829 45.100 -0.127 0.000 0.840 473 G HN 0.254 nan 8.290 nan 0.000 0.505 474 I N 0.710 121.221 120.570 -0.099 0.000 2.533 474 I HA 0.076 4.246 4.170 0.000 0.000 0.284 474 I C 0.925 177.140 176.117 0.164 0.000 1.109 474 I CA -0.357 60.952 61.300 0.016 0.000 1.412 474 I CB 1.040 39.037 38.000 -0.004 0.000 1.396 474 I HN 0.096 nan 8.210 nan 0.000 0.543 475 D N 7.180 127.640 120.400 0.100 0.000 2.977 475 D HA -0.052 4.588 4.640 0.000 0.000 0.241 475 D C -0.035 176.308 176.300 0.072 0.000 1.206 475 D CA -0.100 53.924 54.000 0.040 0.000 0.902 475 D CB -0.535 40.268 40.800 0.006 0.000 1.131 475 D HN 0.372 nan 8.370 nan 0.000 0.447 476 Y N -0.826 119.480 120.300 0.009 0.000 2.354 476 Y HA 0.668 5.218 4.550 0.000 0.000 0.322 476 Y C -0.380 175.553 175.900 0.055 0.000 1.253 476 Y CA -0.976 57.156 58.100 0.054 0.000 1.272 476 Y CB 0.925 39.441 38.460 0.093 0.000 1.255 476 Y HN -0.329 nan 8.280 nan 0.000 0.500 477 K N 3.197 123.520 120.400 -0.128 0.000 2.464 477 K HA 0.435 4.755 4.320 0.000 0.000 0.253 477 K C -1.075 175.640 176.600 0.192 0.000 0.933 477 K CA -0.701 55.504 56.287 -0.138 0.000 0.801 477 K CB 2.650 35.098 32.500 -0.087 0.000 1.271 477 K HN 0.841 nan 8.250 nan 0.000 0.430 478 L N 1.820 123.194 121.223 0.252 0.000 2.436 478 L HA 0.241 4.581 4.340 0.000 0.000 0.265 478 L C -0.055 176.979 176.870 0.272 0.000 1.168 478 L CA -0.623 54.342 54.840 0.210 0.000 0.815 478 L CB 0.091 42.157 42.059 0.012 0.000 1.109 478 L HN 0.487 nan 8.230 nan 0.000 0.462 479 Y N 2.501 122.780 120.300 -0.034 0.000 2.387 479 Y HA 0.407 4.957 4.550 0.000 0.000 0.336 479 Y C 0.321 176.251 175.900 0.050 0.000 1.067 479 Y CA -1.502 56.587 58.100 -0.018 0.000 1.114 479 Y CB 0.944 39.169 38.460 -0.391 0.000 1.208 479 Y HN 0.435 nan 8.280 nan 0.000 0.458 480 L N 5.100 126.176 121.223 -0.245 0.000 3.597 480 L HA -0.193 4.147 4.340 0.000 0.000 0.440 480 L C -2.300 174.536 176.870 -0.058 0.000 1.277 480 L CA -0.240 54.475 54.840 -0.209 0.000 0.852 480 L CB -1.659 40.194 42.059 -0.343 0.000 1.708 480 L HN 0.507 nan 8.230 nan 0.000 0.885 481 P HA 0.033 nan 4.420 nan 0.000 0.266 481 P C -0.523 176.732 177.300 -0.075 0.000 1.195 481 P CA 0.573 63.557 63.100 -0.194 0.000 0.768 481 P CB 0.806 32.278 31.700 -0.379 0.000 0.838 482 H N 1.841 120.557 119.070 -0.590 0.000 3.108 482 H HA 0.516 5.072 4.556 0.000 0.000 0.329 482 H C -1.589 173.282 175.328 -0.761 0.000 0.978 482 H CA -0.382 55.451 56.048 -0.360 0.000 1.413 482 H CB 0.222 29.881 29.762 -0.172 0.000 1.670 482 H HN 0.226 nan 8.280 nan 0.000 0.512 483 Y N 2.543 122.362 120.300 -0.803 0.000 2.576 483 Y HA 0.333 4.883 4.550 0.000 0.000 0.346 483 Y C 0.768 176.359 175.900 -0.515 0.000 1.018 483 Y CA -0.965 56.604 58.100 -0.884 0.000 1.050 483 Y CB 2.122 39.655 38.460 -1.544 0.000 1.280 483 Y HN 0.546 nan 8.280 nan 0.000 0.474 484 K N 0.210 120.511 120.400 -0.166 0.000 2.374 484 K HA 0.213 4.533 4.320 0.000 0.000 0.202 484 K C -0.166 176.459 176.600 0.041 0.000 1.040 484 K CA 0.096 56.366 56.287 -0.029 0.000 1.085 484 K CB 0.826 33.293 32.500 -0.056 0.000 0.873 484 K HN 0.525 nan 8.250 nan 0.000 0.539 485 S N -0.590 115.101 115.700 -0.015 0.000 2.566 485 S HA 0.236 4.706 4.470 0.000 0.000 0.298 485 S C 0.785 175.397 174.600 0.020 0.000 1.083 485 S CA -0.839 57.359 58.200 -0.004 0.000 0.978 485 S CB 2.059 65.219 63.200 -0.066 0.000 1.073 485 S HN -0.107 nan 8.310 nan 0.000 0.491 486 Q N 1.704 121.520 119.800 0.026 0.000 2.084 486 Q HA -0.166 4.174 4.340 0.000 0.000 0.202 486 Q C 2.018 177.908 176.000 -0.184 0.000 0.978 486 Q CA 2.266 58.054 55.803 -0.024 0.000 0.844 486 Q CB -0.539 28.188 28.738 -0.018 0.000 0.898 486 Q HN 1.039 nan 8.270 nan 0.000 0.426 487 E N 0.562 120.657 120.200 -0.175 0.000 2.204 487 E HA -0.192 4.158 4.350 0.000 0.000 0.195 487 E C 1.443 177.839 176.600 -0.340 0.000 0.990 487 E CA 1.163 57.423 56.400 -0.232 0.000 0.821 487 E CB -0.127 29.476 29.700 -0.161 0.000 0.750 487 E HN 0.416 nan 8.360 nan 0.000 0.477 488 E N 0.203 120.147 120.200 -0.427 0.000 2.112 488 E HA -0.087 4.263 4.350 0.000 0.000 0.190 488 E C 1.569 177.609 176.600 -0.934 0.000 0.979 488 E CA 0.982 56.913 56.400 -0.782 0.000 0.814 488 E CB -0.142 28.962 29.700 -0.994 0.000 0.762 488 E HN 0.416 nan 8.360 nan 0.000 0.460 489 W N 0.833 121.801 121.300 -0.553 0.000 2.388 489 W HA -0.042 4.618 4.660 0.000 0.000 0.294 489 W C 2.001 178.212 176.519 -0.512 0.000 1.212 489 W CA 0.272 57.358 57.345 -0.432 0.000 1.271 489 W CB -0.068 29.216 29.460 -0.294 0.000 1.126 489 W HN 0.016 nan 8.180 nan 0.000 0.535 490 I N 0.117 120.310 120.570 -0.627 0.000 2.286 490 I HA -0.312 3.858 4.170 0.000 0.000 0.248 490 I C 2.674 178.614 176.117 -0.295 0.000 1.115 490 I CA 1.343 62.160 61.300 -0.805 0.000 1.392 490 I CB -0.568 36.949 38.000 -0.806 0.000 1.065 490 I HN -0.016 nan 8.210 nan 0.000 0.418 491 R N 0.304 120.623 120.500 -0.303 0.000 2.066 491 R HA -0.251 4.089 4.340 0.000 0.000 0.232 491 R C 2.508 178.677 176.300 -0.217 0.000 1.131 491 R CA 2.017 57.970 56.100 -0.245 0.000 0.955 491 R CB -0.433 29.682 30.300 -0.309 0.000 0.851 491 R HN 0.386 nan 8.270 nan 0.000 0.432 492 H N -0.453 118.380 119.070 -0.395 0.000 2.289 492 H HA -0.164 4.392 4.556 0.000 0.000 0.296 492 H C 1.562 176.734 175.328 -0.260 0.000 1.091 492 H CA 2.581 58.404 56.048 -0.375 0.000 1.274 492 H CB -0.339 29.153 29.762 -0.450 0.000 1.364 492 H HN 0.214 nan 8.280 nan 0.000 0.490 493 F N 0.557 120.536 119.950 0.048 0.000 2.502 493 F HA 0.079 4.606 4.527 0.000 0.000 0.298 493 F C 2.229 178.062 175.800 0.056 0.000 1.111 493 F CA 1.018 59.072 58.000 0.089 0.000 1.445 493 F CB -0.668 38.567 39.000 0.391 0.000 1.081 493 F HN 0.555 nan 8.300 nan 0.000 0.558 494 G N 1.628 110.512 108.800 0.139 0.000 2.634 494 G HA2 -0.502 3.458 3.960 0.000 0.000 0.309 494 G HA3 -0.502 3.458 3.960 0.000 0.000 0.309 494 G C 0.919 175.919 174.900 0.166 0.000 1.265 494 G CA 0.832 45.978 45.100 0.077 0.000 0.998 494 G HN 0.455 nan 8.290 nan 0.000 0.551 495 N N 0.645 119.408 118.700 0.107 0.000 2.573 495 N HA 0.016 4.756 4.740 0.000 0.000 0.187 495 N C 1.614 177.222 175.510 0.164 0.000 1.107 495 N CA 1.373 54.495 53.050 0.120 0.000 0.918 495 N CB 0.012 38.537 38.487 0.063 0.000 0.966 495 N HN 0.448 nan 8.380 nan 0.000 0.448 496 R N -0.680 119.956 120.500 0.227 0.000 2.359 496 R HA 0.090 4.430 4.340 0.000 0.000 0.231 496 R C 0.992 177.505 176.300 0.355 0.000 0.913 496 R CA -0.287 55.968 56.100 0.258 0.000 1.075 496 R CB -0.872 29.597 30.300 0.281 0.000 1.087 496 R HN 0.507 nan 8.270 nan 0.000 0.515 497 W N 1.925 123.343 121.300 0.197 0.000 2.388 497 W HA -0.195 4.465 4.660 0.000 0.000 0.294 497 W C 1.430 178.038 176.519 0.149 0.000 1.212 497 W CA 1.733 59.189 57.345 0.184 0.000 1.271 497 W CB 0.174 29.752 29.460 0.196 0.000 1.126 497 W HN 0.152 nan 8.180 nan 0.000 0.535 498 S N 0.730 116.454 115.700 0.040 0.000 2.382 498 S HA -0.265 4.205 4.470 0.000 0.000 0.228 498 S C 2.016 176.530 174.600 -0.143 0.000 1.027 498 S CA 1.316 59.443 58.200 -0.123 0.000 0.991 498 S CB -0.815 62.382 63.200 -0.006 0.000 0.823 498 S HN 0.408 nan 8.310 nan 0.000 0.469 499 R N -0.411 120.065 120.500 -0.039 0.000 2.092 499 R HA -0.016 4.324 4.340 0.000 0.000 0.231 499 R C 2.070 178.331 176.300 -0.065 0.000 1.119 499 R CA 1.382 57.459 56.100 -0.038 0.000 0.970 499 R CB -0.494 29.827 30.300 0.035 0.000 0.864 499 R HN 0.476 nan 8.270 nan 0.000 0.440 500 F N 0.391 120.206 119.950 -0.224 0.000 2.293 500 F HA -0.120 4.407 4.527 0.000 0.000 0.300 500 F C 1.897 177.557 175.800 -0.233 0.000 1.086 500 F CA 0.980 58.837 58.000 -0.239 0.000 1.375 500 F CB 0.086 38.727 39.000 -0.599 0.000 1.045 500 F HN -0.174 nan 8.300 nan 0.000 0.516 501 V N -0.340 119.357 119.914 -0.362 0.000 2.407 501 V HA -0.215 3.905 4.120 0.000 0.000 0.245 501 V C 2.001 177.921 176.094 -0.290 0.000 1.041 501 V CA 1.880 63.962 62.300 -0.363 0.000 1.040 501 V CB -0.502 31.007 31.823 -0.524 0.000 0.671 501 V HN 0.172 nan 8.190 nan 0.000 0.455 502 D N 0.285 120.531 120.400 -0.256 0.000 2.104 502 D HA -0.166 4.474 4.640 0.000 0.000 0.194 502 D C 2.367 178.472 176.300 -0.324 0.000 0.994 502 D CA 1.314 55.167 54.000 -0.246 0.000 0.830 502 D CB -0.251 40.432 40.800 -0.195 0.000 0.959 502 D HN 0.381 nan 8.370 nan 0.000 0.452 503 R N 0.470 120.759 120.500 -0.352 0.000 2.096 503 R HA -0.120 4.220 4.340 0.000 0.000 0.235 503 R C 2.196 178.311 176.300 -0.308 0.000 1.127 503 R CA 1.108 56.919 56.100 -0.483 0.000 0.968 503 R CB -0.117 29.723 30.300 -0.766 0.000 0.861 503 R HN 0.013 nan 8.270 nan 0.000 0.440 504 K N 1.135 121.437 120.400 -0.164 0.000 2.026 504 K HA -0.041 4.279 4.320 0.000 0.000 0.208 504 K C 0.734 177.132 176.600 -0.335 0.000 1.048 504 K CA 1.282 57.406 56.287 -0.272 0.000 0.929 504 K CB -0.343 31.568 32.500 -0.982 0.000 0.713 504 K HN 0.190 nan 8.250 nan 0.000 0.439 508 D N 1.673 122.097 120.400 0.040 0.000 3.118 508 D HA 0.248 4.888 4.640 0.000 0.000 0.259 508 D C -2.803 173.406 176.300 -0.151 0.000 1.292 508 D CA -1.498 52.471 54.000 -0.051 0.000 0.784 508 D CB 1.441 42.186 40.800 -0.090 0.000 1.413 508 D HN -0.112 nan 8.370 nan 0.000 0.583 512 I N -2.530 118.022 120.570 -0.030 0.000 3.427 512 I HA 0.398 4.568 4.170 0.000 0.000 0.288 512 I C 0.173 176.284 176.117 -0.011 0.000 1.249 512 I CA 0.143 61.437 61.300 -0.010 0.000 1.421 512 I CB 0.041 38.036 38.000 -0.008 0.000 1.086 512 I HN 0.260 nan 8.210 nan 0.000 0.448 513 L N 1.904 123.107 121.223 -0.034 0.000 2.305 513 L HA 0.275 4.615 4.340 0.000 0.000 0.281 513 L C 0.702 177.557 176.870 -0.024 0.000 1.085 513 L CA -0.467 54.352 54.840 -0.035 0.000 0.813 513 L CB 1.028 43.048 42.059 -0.065 0.000 1.157 513 L HN 0.163 nan 8.230 nan 0.000 0.436 514 S N 2.809 118.507 115.700 -0.003 0.000 3.378 514 S HA -0.098 4.372 4.470 0.000 0.000 0.365 514 S C -1.122 173.500 174.600 0.037 0.000 0.951 514 S CA 0.164 58.374 58.200 0.017 0.000 1.274 514 S CB -0.602 62.607 63.200 0.016 0.000 0.915 514 S HN 0.675 nan 8.310 nan 0.000 0.513 515 P HA -0.074 nan 4.420 nan 0.000 0.225 515 P C 1.595 178.947 177.300 0.088 0.000 1.148 515 P CA 1.371 64.513 63.100 0.069 0.000 0.779 515 P CB -0.257 31.479 31.700 0.061 0.000 0.780 516 G N 0.099 108.947 108.800 0.080 0.000 2.559 516 G HA2 -0.194 3.766 3.960 0.000 0.000 0.216 516 G HA3 -0.194 3.766 3.960 0.000 0.000 0.216 516 G C 1.629 176.621 174.900 0.154 0.000 1.126 516 G CA 0.164 45.325 45.100 0.102 0.000 0.778 516 G HN 0.224 nan 8.290 nan 0.000 0.543 517 Q N 0.088 119.968 119.800 0.134 0.000 2.167 517 Q HA -0.044 4.296 4.340 0.000 0.000 0.202 517 Q C 0.876 177.030 176.000 0.255 0.000 0.970 517 Q CA 0.946 56.857 55.803 0.180 0.000 0.855 517 Q CB 0.001 28.784 28.738 0.075 0.000 0.911 517 Q HN 0.368 nan 8.270 nan 0.000 0.438 518 K N -1.230 119.267 120.400 0.161 0.000 3.338 518 K HA -0.162 4.158 4.320 0.000 0.000 0.292 518 K C 0.894 177.528 176.600 0.056 0.000 1.268 518 K CA 0.585 56.988 56.287 0.193 0.000 0.853 518 K CB -2.215 30.482 32.500 0.327 0.000 1.342 518 K HN 0.291 nan 8.250 nan 0.000 0.501 519 I N -1.152 119.219 120.570 -0.332 0.000 2.628 519 I HA 0.053 4.223 4.170 0.000 0.000 0.255 519 I C 0.673 176.449 176.117 -0.568 0.000 1.119 519 I CA 0.786 61.573 61.300 -0.855 0.000 1.448 519 I CB 0.123 37.585 38.000 -0.897 0.000 1.133 519 I HN -0.058 nan 8.210 nan 0.000 0.438 520 F N 0.727 120.672 119.950 -0.009 0.000 2.563 520 F HA 0.421 4.948 4.527 0.000 0.000 0.316 520 F C -0.110 175.715 175.800 0.041 0.000 1.076 520 F CA -0.998 57.031 58.000 0.048 0.000 0.921 520 F CB 1.037 40.040 39.000 0.005 0.000 1.209 520 F HN -0.163 nan 8.300 nan 0.000 0.462 521 N N 1.488 120.327 118.700 0.231 0.000 2.443 521 N HA 0.312 5.052 4.740 0.000 0.000 0.295 521 N C -0.340 175.249 175.510 0.132 0.000 1.076 521 N CA -0.783 52.357 53.050 0.150 0.000 0.919 521 N CB 1.636 40.194 38.487 0.118 0.000 1.176 521 N HN 0.589 nan 8.380 nan 0.000 0.487 522 R N 0.439 120.994 120.500 0.092 0.000 2.758 522 R HA -0.006 4.334 4.340 0.000 0.000 0.263 522 R C 0.227 176.559 176.300 0.053 0.000 1.010 522 R CA -0.003 56.134 56.100 0.062 0.000 1.114 522 R CB 0.360 30.688 30.300 0.046 0.000 0.985 522 R HN 0.740 nan 8.270 nan 0.000 0.439 523 S N 4.004 119.724 115.700 0.034 0.000 2.564 523 S HA 0.183 4.653 4.470 0.000 0.000 0.278 523 S C 0.662 175.278 174.600 0.026 0.000 1.333 523 S CA -0.886 57.331 58.200 0.028 0.000 1.048 523 S CB 0.567 63.774 63.200 0.012 0.000 0.900 523 S HN 0.462 nan 8.310 nan 0.000 0.505 524 L N 0.000 121.239 121.223 0.027 0.000 2.949 524 L HA 0.000 4.340 4.340 0.000 0.000 0.249 524 L CA 0.000 54.854 54.840 0.024 0.000 0.813 524 L CB 0.000 42.074 42.059 0.025 0.000 0.961 524 L HN 0.000 nan 8.230 nan 0.000 0.502