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 1w26_1_B DATA FIRST_RESID 2 DATA SEQUENCE QVSVETTQGL GRRVTITIAA DSIETAVKSE LVNVAKKVRI DGFRKGKVPX DATA SEQUENCE NIVAQRYGAS VRQDVLGDLX SRNFIDAIIK EKINPAGAPT YVPGEYKLGE DATA SEQUENCE DFTYSVEFEV YPEVELQGLE AIEVEKPIVE VTDADVDGXL DTLRKQQATW DATA SEQUENCE KEKDGAVEAE DRVTIDFTGS VDGEEFEGGK ASDFVLAXGQ GRXIPGFEDG DATA SEQUENCE IKGHKAGEEF TIDVTFPEEY HAENLKGKAA KFAINLKKVE ERELPELTAE DATA SEQUENCE FIKRFGVEDG SVEGLRAEVR KNXERELKSA IRNRVKSQAI EGLVKANDID DATA SEQUENCE VPAALIDSEI DVLRRQAAQR FGGNEKQALE LPRELFEEQA KRRVVVGLLL DATA SEQUENCE GEVIRTNELK ADEERVKGLI EEXASAYEDP KEVIEFYSKN KELXDNXRNV DATA SEQUENCE ALEEQAVEAV LAKAKVTEKE TTFNELXNQQ A 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 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 176.015 176.000 0.025 0.000 1.003 2 Q CA 0.000 55.821 55.803 0.030 0.000 1.022 2 Q CB 0.000 28.752 28.738 0.024 0.000 1.108 3 V N -0.172 119.750 119.914 0.013 0.000 3.202 3 V HA 0.942 5.062 4.120 0.000 0.000 0.306 3 V C -0.945 175.147 176.094 -0.003 0.000 1.283 3 V CA -0.738 61.566 62.300 0.007 0.000 1.065 3 V CB 2.309 34.145 31.823 0.022 0.000 1.079 3 V HN 0.746 nan 8.190 nan 0.000 0.448 4 S N 0.030 115.725 115.700 -0.008 0.000 2.604 4 S HA 0.657 5.127 4.470 0.000 0.000 0.296 4 S C -1.818 172.775 174.600 -0.013 0.000 1.097 4 S CA -0.353 57.839 58.200 -0.013 0.000 0.883 4 S CB 1.486 64.671 63.200 -0.025 0.000 1.081 4 S HN 0.823 nan 8.310 nan 0.000 0.448 5 V N 4.401 124.309 119.914 -0.009 0.000 2.769 5 V HA 0.782 4.902 4.120 0.000 0.000 0.312 5 V C -0.726 175.348 176.094 -0.034 0.000 1.061 5 V CA -0.727 61.566 62.300 -0.012 0.000 0.931 5 V CB 1.925 33.755 31.823 0.011 0.000 1.010 5 V HN 0.901 nan 8.190 nan 0.000 0.433 6 E N 1.016 121.179 120.200 -0.060 0.000 2.331 6 E HA 0.553 4.903 4.350 0.000 0.000 0.275 6 E C -1.243 175.300 176.600 -0.095 0.000 0.895 6 E CA -0.849 55.509 56.400 -0.070 0.000 0.753 6 E CB 2.293 31.949 29.700 -0.074 0.000 1.216 6 E HN 0.663 nan 8.360 nan 0.000 0.434 7 T N -0.839 113.670 114.554 -0.074 0.000 2.771 7 T HA 0.539 4.889 4.350 0.000 0.000 0.281 7 T C -0.085 174.569 174.700 -0.075 0.000 0.982 7 T CA -0.705 61.348 62.100 -0.079 0.000 0.978 7 T CB 1.162 70.000 68.868 -0.050 0.000 0.930 7 T HN 0.530 nan 8.240 nan 0.000 0.447 8 T N 1.044 115.544 114.554 -0.090 0.000 3.038 8 T HA 0.447 4.797 4.350 0.000 0.000 0.344 8 T C -0.510 174.151 174.700 -0.066 0.000 1.054 8 T CA -0.798 61.257 62.100 -0.075 0.000 1.092 8 T CB 0.263 69.079 68.868 -0.087 0.000 1.031 8 T HN 0.847 nan 8.240 nan 0.000 0.482 9 Q N 2.175 121.946 119.800 -0.047 0.000 2.407 9 Q HA -0.174 4.166 4.340 0.000 0.000 0.323 9 Q C 1.245 177.224 176.000 -0.034 0.000 1.421 9 Q CA 0.632 56.414 55.803 -0.036 0.000 0.799 9 Q CB -1.870 26.847 28.738 -0.036 0.000 1.073 9 Q HN 1.733 nan 8.270 nan 0.000 0.345 10 G N 0.395 109.179 108.800 -0.027 0.000 5.001 10 G HA2 -0.423 3.537 3.960 0.000 0.000 0.306 10 G HA3 -0.423 3.537 3.960 0.000 0.000 0.306 10 G C 0.721 175.608 174.900 -0.021 0.000 1.491 10 G CA 1.005 46.094 45.100 -0.018 0.000 1.324 10 G HN 0.449 nan 8.290 nan 0.000 0.829 11 L N 1.829 123.037 121.223 -0.025 0.000 2.298 11 L HA 0.331 4.671 4.340 0.000 0.000 0.209 11 L C 2.144 178.973 176.870 -0.068 0.000 1.084 11 L CA 0.405 55.230 54.840 -0.026 0.000 0.816 11 L CB -0.510 41.542 42.059 -0.012 0.000 0.967 11 L HN 0.519 nan 8.230 nan 0.000 0.460 12 G N 1.045 109.789 108.800 -0.093 0.000 2.398 12 G HA2 0.333 4.293 3.960 0.000 0.000 0.246 12 G HA3 0.333 4.293 3.960 0.000 0.000 0.246 12 G C -0.340 174.411 174.900 -0.247 0.000 1.289 12 G CA -0.063 44.941 45.100 -0.160 0.000 0.869 12 G HN 0.183 nan 8.290 nan 0.000 0.543 13 R N 0.355 120.578 120.500 -0.461 0.000 2.808 13 R HA 0.619 4.959 4.340 0.000 0.000 0.272 13 R C -0.529 175.334 176.300 -0.728 0.000 0.995 13 R CA -0.951 54.782 56.100 -0.610 0.000 0.917 13 R CB 2.513 32.361 30.300 -0.754 0.000 1.217 13 R HN 0.580 nan 8.270 nan 0.000 0.471 14 R N 2.007 122.233 120.500 -0.457 0.000 2.514 14 R HA 0.405 4.745 4.340 0.000 0.000 0.296 14 R C -1.716 174.490 176.300 -0.156 0.000 1.012 14 R CA -0.468 55.449 56.100 -0.305 0.000 0.897 14 R CB 1.762 31.941 30.300 -0.201 0.000 1.184 14 R HN 0.355 nan 8.270 nan 0.000 0.440 15 V N 3.171 123.042 119.914 -0.072 0.000 2.435 15 V HA 0.427 4.547 4.120 0.000 0.000 0.290 15 V C -0.143 175.870 176.094 -0.135 0.000 1.030 15 V CA -0.521 61.785 62.300 0.010 0.000 0.881 15 V CB 1.997 33.971 31.823 0.252 0.000 0.983 15 V HN 0.763 nan 8.190 nan 0.000 0.445 16 T N 6.392 120.875 114.554 -0.119 0.000 2.893 16 T HA 0.610 4.960 4.350 0.000 0.000 0.324 16 T C -0.268 174.333 174.700 -0.166 0.000 1.082 16 T CA -0.035 61.962 62.100 -0.173 0.000 0.983 16 T CB 0.213 69.017 68.868 -0.107 0.000 1.005 16 T HN 0.366 nan 8.240 nan 0.000 0.475 17 I N 2.169 122.554 120.570 -0.308 0.000 2.525 17 I HA 0.474 4.644 4.170 0.000 0.000 0.301 17 I C 0.274 176.386 176.117 -0.007 0.000 0.992 17 I CA -0.730 60.480 61.300 -0.151 0.000 1.162 17 I CB 1.964 39.875 38.000 -0.148 0.000 1.332 17 I HN 0.383 nan 8.210 nan 0.000 0.458 18 T N 5.887 120.483 114.554 0.070 0.000 2.864 18 T HA 0.536 4.886 4.350 0.000 0.000 0.299 18 T C -0.149 174.624 174.700 0.121 0.000 1.011 18 T CA -0.356 61.789 62.100 0.075 0.000 0.975 18 T CB 0.620 69.511 68.868 0.039 0.000 0.962 18 T HN 0.239 nan 8.240 nan 0.000 0.448 19 I N 2.348 123.009 120.570 0.152 0.000 2.612 19 I HA 0.557 4.727 4.170 0.000 0.000 0.295 19 I C 0.881 177.085 176.117 0.145 0.000 1.011 19 I CA -0.940 60.458 61.300 0.162 0.000 1.326 19 I CB 0.966 39.085 38.000 0.198 0.000 1.427 19 I HN 0.579 nan 8.210 nan 0.000 0.537 20 A N 3.718 126.607 122.820 0.115 0.000 2.327 20 A HA 0.591 4.911 4.320 0.000 0.000 0.283 20 A C 1.027 178.670 177.584 0.097 0.000 1.127 20 A CA 0.071 52.163 52.037 0.092 0.000 0.810 20 A CB 0.936 19.976 19.000 0.066 0.000 1.066 20 A HN 0.946 nan 8.150 nan 0.000 0.492 21 A N 1.746 124.614 122.820 0.080 0.000 1.865 21 A HA -0.198 4.122 4.320 0.000 0.000 0.217 21 A C 1.660 179.275 177.584 0.053 0.000 1.191 21 A CA 2.098 54.176 52.037 0.068 0.000 0.623 21 A CB -0.796 18.224 19.000 0.033 0.000 0.826 21 A HN 0.884 nan 8.150 nan 0.000 0.444 22 D N -0.152 120.271 120.400 0.038 0.000 2.116 22 D HA -0.180 4.460 4.640 0.000 0.000 0.193 22 D C 2.063 178.384 176.300 0.035 0.000 0.998 22 D CA 1.632 55.648 54.000 0.027 0.000 0.836 22 D CB -0.952 39.861 40.800 0.022 0.000 0.951 22 D HN 0.392 nan 8.370 nan 0.000 0.449 23 S N 0.107 115.836 115.700 0.047 0.000 2.383 23 S HA -0.106 4.364 4.470 0.000 0.000 0.229 23 S C 2.188 176.820 174.600 0.053 0.000 1.030 23 S CA 0.661 58.892 58.200 0.051 0.000 1.002 23 S CB -0.311 62.927 63.200 0.064 0.000 0.829 23 S HN 0.268 nan 8.310 nan 0.000 0.467 24 I N 1.048 121.660 120.570 0.071 0.000 2.233 24 I HA -0.092 4.079 4.170 0.000 0.000 0.243 24 I C 2.656 178.801 176.117 0.046 0.000 1.093 24 I CA 0.998 62.341 61.300 0.072 0.000 1.380 24 I CB -0.491 37.585 38.000 0.126 0.000 1.067 24 I HN 0.236 nan 8.210 nan 0.000 0.413 25 E N 0.780 121.004 120.200 0.040 0.000 2.038 25 E HA -0.235 4.115 4.350 0.000 0.000 0.195 25 E C 2.272 178.874 176.600 0.003 0.000 1.000 25 E CA 2.224 58.632 56.400 0.015 0.000 0.803 25 E CB -0.845 28.855 29.700 -0.001 0.000 0.750 25 E HN 0.531 nan 8.360 nan 0.000 0.448 26 T N -1.398 113.160 114.554 0.008 0.000 3.072 26 T HA 0.164 4.514 4.350 0.000 0.000 0.266 26 T C 1.804 176.509 174.700 0.009 0.000 1.127 26 T CA 0.996 63.099 62.100 0.005 0.000 1.107 26 T CB 0.031 68.904 68.868 0.007 0.000 0.910 26 T HN 0.117 nan 8.240 nan 0.000 0.513 27 A N 1.141 123.970 122.820 0.013 0.000 2.016 27 A HA 0.247 4.567 4.320 0.000 0.000 0.217 27 A C 2.492 180.078 177.584 0.004 0.000 1.162 27 A CA 1.209 53.253 52.037 0.012 0.000 0.662 27 A CB -0.680 18.330 19.000 0.017 0.000 0.812 27 A HN 0.780 nan 8.150 nan 0.000 0.450 28 V N -1.521 118.396 119.914 0.004 0.000 3.052 28 V HA 0.018 4.138 4.120 0.000 0.000 0.254 28 V C 1.802 177.903 176.094 0.011 0.000 1.100 28 V CA 1.808 64.110 62.300 0.004 0.000 1.112 28 V CB -0.470 31.358 31.823 0.008 0.000 0.738 28 V HN 0.461 nan 8.190 nan 0.000 0.469 29 K N 1.033 121.437 120.400 0.006 0.000 2.057 29 K HA -0.069 4.252 4.320 0.000 0.000 0.206 29 K C 2.369 178.976 176.600 0.011 0.000 1.050 29 K CA 1.771 58.063 56.287 0.008 0.000 0.935 29 K CB -0.301 32.198 32.500 -0.002 0.000 0.715 29 K HN 0.574 nan 8.250 nan 0.000 0.439 30 S N 1.202 116.907 115.700 0.008 0.000 2.383 30 S HA -0.159 4.311 4.470 0.000 0.000 0.227 30 S C 1.840 176.444 174.600 0.008 0.000 1.026 30 S CA 1.253 59.458 58.200 0.008 0.000 0.981 30 S CB -0.169 63.035 63.200 0.007 0.000 0.818 30 S HN 0.280 nan 8.310 nan 0.000 0.472 31 E N 1.901 122.105 120.200 0.006 0.000 2.058 31 E HA -0.120 4.230 4.350 0.000 0.000 0.194 31 E C 1.815 178.420 176.600 0.008 0.000 0.997 31 E CA 1.177 57.579 56.400 0.003 0.000 0.801 31 E CB -0.557 29.142 29.700 -0.002 0.000 0.746 31 E HN 0.507 nan 8.360 nan 0.000 0.450 32 L N -0.770 120.463 121.223 0.016 0.000 1.994 32 L HA -0.196 4.144 4.340 0.000 0.000 0.208 32 L C 2.506 179.386 176.870 0.016 0.000 1.071 32 L CA 1.173 56.026 54.840 0.022 0.000 0.745 32 L CB -0.836 41.246 42.059 0.039 0.000 0.892 32 L HN 0.049 nan 8.230 nan 0.000 0.431 33 V N 0.460 120.384 119.914 0.016 0.000 2.222 33 V HA -0.389 3.731 4.120 0.000 0.000 0.252 33 V C 2.273 178.373 176.094 0.010 0.000 1.060 33 V CA 2.302 64.610 62.300 0.013 0.000 1.027 33 V CB -0.722 31.108 31.823 0.012 0.000 0.644 33 V HN 0.538 nan 8.190 nan 0.000 0.448 34 N N -0.142 118.563 118.700 0.008 0.000 2.348 34 N HA -0.132 4.608 4.740 0.000 0.000 0.185 34 N C 1.571 177.083 175.510 0.004 0.000 1.019 34 N CA 1.417 54.470 53.050 0.006 0.000 0.880 34 N CB -0.144 38.345 38.487 0.003 0.000 0.965 34 N HN 0.416 nan 8.380 nan 0.000 0.437 35 V N 1.254 121.170 119.914 0.004 0.000 2.809 35 V HA -0.070 4.050 4.120 0.000 0.000 0.256 35 V C 1.600 177.695 176.094 0.002 0.000 1.080 35 V CA 0.905 63.206 62.300 0.002 0.000 1.102 35 V CB -0.653 31.171 31.823 0.001 0.000 0.705 35 V HN 0.216 nan 8.190 nan 0.000 0.475 36 A N 0.031 122.854 122.820 0.006 0.000 2.711 36 A HA 0.064 4.384 4.320 0.000 0.000 0.242 36 A C 1.455 179.045 177.584 0.009 0.000 1.607 36 A CA 0.439 52.481 52.037 0.008 0.000 1.370 36 A CB -0.620 18.387 19.000 0.012 0.000 0.934 36 A HN 0.558 nan 8.150 nan 0.000 0.628 37 K N -0.597 119.806 120.400 0.006 0.000 2.402 37 K HA 0.120 4.440 4.320 0.000 0.000 0.204 37 K C 0.822 177.425 176.600 0.005 0.000 1.056 37 K CA 0.126 56.417 56.287 0.006 0.000 1.069 37 K CB 0.517 33.019 32.500 0.004 0.000 0.888 37 K HN 0.409 nan 8.250 nan 0.000 0.546 38 K N 0.701 121.103 120.400 0.003 0.000 2.358 38 K HA 0.107 4.427 4.320 0.000 0.000 0.197 38 K C 0.239 176.841 176.600 0.003 0.000 1.025 38 K CA -0.065 56.222 56.287 -0.000 0.000 1.104 38 K CB 1.198 33.694 32.500 -0.007 0.000 0.855 38 K HN -0.113 nan 8.250 nan 0.000 0.531 39 V N 4.198 124.117 119.914 0.009 0.000 2.450 39 V HA -0.013 4.107 4.120 0.000 0.000 0.281 39 V C 0.256 176.370 176.094 0.033 0.000 1.019 39 V CA -0.174 62.136 62.300 0.017 0.000 1.062 39 V CB -0.131 31.706 31.823 0.023 0.000 0.979 39 V HN 0.300 nan 8.190 nan 0.000 0.477 40 R N 6.867 127.392 120.500 0.040 0.000 3.657 40 R HA 0.330 4.670 4.340 0.000 0.000 0.220 40 R C -0.218 176.169 176.300 0.145 0.000 1.548 40 R CA -0.643 55.500 56.100 0.072 0.000 1.465 40 R CB 0.027 30.363 30.300 0.060 0.000 1.330 40 R HN 0.565 nan 8.270 nan 0.000 0.707 41 I N 2.481 123.122 120.570 0.119 0.000 2.749 41 I HA -0.103 4.068 4.170 0.000 0.000 0.283 41 I C 0.686 176.875 176.117 0.120 0.000 0.993 41 I CA 0.617 62.002 61.300 0.142 0.000 2.393 41 I CB -0.922 37.123 38.000 0.076 0.000 1.549 41 I HN 0.638 nan 8.210 nan 0.000 1.045 42 D N 2.611 123.133 120.400 0.203 0.000 2.826 42 D HA 0.076 4.716 4.640 0.000 0.000 0.247 42 D C 1.427 177.658 176.300 -0.115 0.000 1.238 42 D CA 0.707 54.766 54.000 0.098 0.000 0.894 42 D CB 0.054 40.974 40.800 0.199 0.000 1.100 42 D HN 0.707 nan 8.370 nan 0.000 0.453 43 G N 0.325 109.049 108.800 -0.127 0.000 2.218 43 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 43 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 43 G C 0.179 174.881 174.900 -0.331 0.000 0.994 43 G CA -0.351 44.577 45.100 -0.286 0.000 0.637 43 G HN 0.294 nan 8.290 nan 0.000 0.505 44 F N 2.886 122.836 119.950 -0.000 0.000 2.410 44 F HA 0.597 5.124 4.527 0.000 0.000 0.348 44 F C 1.316 177.116 175.800 0.000 0.000 1.106 44 F CA -0.644 57.356 58.000 -0.000 0.000 1.163 44 F CB 0.744 39.744 39.000 -0.000 0.000 1.129 44 F HN 0.257 nan 8.300 nan 0.000 0.516 45 R N 2.241 122.839 120.500 0.162 0.000 2.441 45 R HA 0.375 4.715 4.340 0.000 0.000 0.284 45 R C -0.572 175.783 176.300 0.091 0.000 1.070 45 R CA -1.047 55.109 56.100 0.094 0.000 1.047 45 R CB 0.527 30.862 30.300 0.059 0.000 1.016 45 R HN 0.331 nan 8.270 nan 0.000 0.477 46 K N 1.868 122.305 120.400 0.063 0.000 2.382 46 K HA 0.108 4.428 4.320 0.000 0.000 0.275 46 K C 0.562 177.184 176.600 0.037 0.000 1.009 46 K CA 0.114 56.429 56.287 0.046 0.000 0.970 46 K CB 0.899 33.420 32.500 0.035 0.000 0.934 46 K HN 0.901 nan 8.250 nan 0.000 0.479 47 G N 1.982 110.799 108.800 0.029 0.000 2.491 47 G HA2 -0.030 3.930 3.960 0.000 0.000 0.242 47 G HA3 -0.030 3.930 3.960 0.000 0.000 0.242 47 G C 0.551 175.463 174.900 0.020 0.000 1.266 47 G CA -0.429 44.685 45.100 0.023 0.000 0.844 47 G HN 0.346 nan 8.290 nan 0.000 0.571 48 K N 0.929 121.340 120.400 0.019 0.000 2.643 48 K HA -0.017 4.303 4.320 0.000 0.000 0.193 48 K C 1.028 177.637 176.600 0.015 0.000 1.027 48 K CA -0.111 56.185 56.287 0.016 0.000 1.033 48 K CB -0.577 31.932 32.500 0.015 0.000 0.827 48 K HN 0.298 nan 8.250 nan 0.000 0.500 49 V N 3.778 123.702 119.914 0.016 0.000 2.486 49 V HA -0.070 4.050 4.120 0.000 0.000 0.290 49 V C -1.590 174.515 176.094 0.018 0.000 0.991 49 V CA -0.855 61.455 62.300 0.018 0.000 1.142 49 V CB -1.067 30.767 31.823 0.019 0.000 0.926 49 V HN 0.177 nan 8.190 nan 0.000 0.472 53 I N -0.467 120.131 120.570 0.047 0.000 5.324 53 I HA -0.289 3.881 4.170 0.000 0.000 0.285 53 I C 1.075 177.270 176.117 0.131 0.000 1.781 53 I CA 0.842 62.209 61.300 0.112 0.000 0.841 53 I CB -1.980 36.152 38.000 0.221 0.000 3.373 53 I HN 0.161 nan 8.210 nan 0.000 0.591 54 V N -0.692 119.285 119.914 0.105 0.000 1.882 54 V HA -0.367 3.753 4.120 0.000 0.000 0.087 54 V C 1.801 177.952 176.094 0.097 0.000 0.905 54 V CA 2.413 64.759 62.300 0.076 0.000 1.683 54 V CB -2.250 29.600 31.823 0.045 0.000 1.625 54 V HN 2.165 nan 8.190 nan 0.000 0.903 55 A N -1.918 121.024 122.820 0.205 0.000 4.115 55 A HA -0.413 3.907 4.320 0.000 0.000 0.268 55 A C 1.228 178.751 177.584 -0.101 0.000 0.917 55 A CA 2.290 54.419 52.037 0.152 0.000 1.090 55 A CB -1.210 17.889 19.000 0.164 0.000 1.067 55 A HN 0.855 nan 8.150 nan 0.000 0.828 56 Q N -1.830 117.952 119.800 -0.030 0.000 2.373 56 Q HA 0.221 4.561 4.340 0.000 0.000 0.206 56 Q C 1.326 177.283 176.000 -0.071 0.000 0.942 56 Q CA 1.316 57.083 55.803 -0.060 0.000 0.953 56 Q CB 0.319 29.040 28.738 -0.027 0.000 1.022 56 Q HN 0.765 nan 8.270 nan 0.000 0.502 57 R N -1.015 119.435 120.500 -0.084 0.000 2.289 57 R HA -0.002 4.338 4.340 0.000 0.000 0.176 57 R C -0.902 175.388 176.300 -0.018 0.000 0.625 57 R CA -0.096 55.970 56.100 -0.057 0.000 0.896 57 R CB -0.229 30.065 30.300 -0.009 0.000 1.430 57 R HN 0.144 nan 8.270 nan 0.000 0.473 58 Y N -0.911 119.382 120.300 -0.012 0.000 2.336 58 Y HA 0.545 5.095 4.550 0.000 0.000 0.331 58 Y C 1.403 177.294 175.900 -0.015 0.000 1.211 58 Y CA -0.225 57.868 58.100 -0.012 0.000 1.346 58 Y CB 0.657 39.113 38.460 -0.006 0.000 1.271 58 Y HN 0.157 nan 8.280 nan 0.000 0.538 59 G N 1.003 109.940 108.800 0.229 0.000 2.220 59 G HA2 -0.316 3.644 3.960 0.000 0.000 0.269 59 G HA3 -0.316 3.644 3.960 0.000 0.000 0.269 59 G C 0.463 175.370 174.900 0.013 0.000 0.977 59 G CA 0.113 45.288 45.100 0.127 0.000 0.634 59 G HN 1.598 nan 8.290 nan 0.000 0.539 60 A N 0.204 123.013 122.820 -0.019 0.000 2.541 60 A HA 0.622 4.942 4.320 0.000 0.000 0.293 60 A C 1.732 179.295 177.584 -0.035 0.000 1.307 60 A CA 1.570 53.580 52.037 -0.045 0.000 0.978 60 A CB -0.520 18.447 19.000 -0.056 0.000 1.111 60 A HN 1.639 nan 8.150 nan 0.000 0.535 61 S N -0.024 115.651 115.700 -0.042 0.000 2.516 61 S HA -0.343 4.127 4.470 0.000 0.000 0.247 61 S C 1.690 176.256 174.600 -0.056 0.000 1.306 61 S CA 2.426 60.596 58.200 -0.050 0.000 1.629 61 S CB -2.239 60.934 63.200 -0.045 0.000 2.146 61 S HN 1.892 nan 8.310 nan 0.000 0.681 62 V N 0.592 120.482 119.914 -0.040 0.000 2.295 62 V HA -0.153 3.967 4.120 0.000 0.000 0.246 62 V C 2.130 178.186 176.094 -0.063 0.000 1.049 62 V CA 2.538 64.815 62.300 -0.039 0.000 1.024 62 V CB -0.911 30.906 31.823 -0.011 0.000 0.648 62 V HN 0.529 nan 8.190 nan 0.000 0.447 63 R N -0.061 120.403 120.500 -0.061 0.000 2.139 63 R HA -0.223 4.117 4.340 0.000 0.000 0.243 63 R C 2.465 178.641 176.300 -0.208 0.000 1.145 63 R CA 2.272 58.303 56.100 -0.115 0.000 0.976 63 R CB -0.285 29.960 30.300 -0.092 0.000 0.866 63 R HN 0.739 nan 8.270 nan 0.000 0.449 64 Q N -0.311 119.383 119.800 -0.177 0.000 2.062 64 Q HA -0.119 4.221 4.340 0.000 0.000 0.196 64 Q C 1.604 177.502 176.000 -0.170 0.000 0.967 64 Q CA 1.389 57.070 55.803 -0.203 0.000 0.832 64 Q CB 0.062 28.709 28.738 -0.151 0.000 0.899 64 Q HN 0.376 nan 8.270 nan 0.000 0.442 65 D N 0.230 120.557 120.400 -0.121 0.000 2.092 65 D HA -0.153 4.487 4.640 0.000 0.000 0.193 65 D C 2.028 178.266 176.300 -0.104 0.000 0.994 65 D CA 1.132 55.072 54.000 -0.099 0.000 0.828 65 D CB -0.362 40.397 40.800 -0.069 0.000 0.963 65 D HN 0.027 nan 8.370 nan 0.000 0.450 66 V N 0.920 120.776 119.914 -0.098 0.000 2.287 66 V HA -0.229 3.891 4.120 0.000 0.000 0.248 66 V C 2.513 178.538 176.094 -0.115 0.000 1.053 66 V CA 1.161 63.410 62.300 -0.085 0.000 1.027 66 V CB -0.482 31.301 31.823 -0.066 0.000 0.646 66 V HN 0.127 nan 8.190 nan 0.000 0.447 67 L N 1.056 122.167 121.223 -0.186 0.000 2.017 67 L HA -0.050 4.290 4.340 0.000 0.000 0.208 67 L C 2.401 179.149 176.870 -0.204 0.000 1.073 67 L CA 2.419 57.111 54.840 -0.246 0.000 0.745 67 L CB -1.446 40.328 42.059 -0.475 0.000 0.894 67 L HN 0.308 nan 8.230 nan 0.000 0.432 68 G N -1.369 107.310 108.800 -0.202 0.000 2.433 68 G HA2 -0.340 3.620 3.960 0.000 0.000 0.216 68 G HA3 -0.340 3.620 3.960 0.000 0.000 0.216 68 G C 1.373 176.164 174.900 -0.181 0.000 1.186 68 G CA 0.853 45.831 45.100 -0.204 0.000 0.779 68 G HN 0.424 nan 8.290 nan 0.000 0.543 69 D N 0.129 120.454 120.400 -0.125 0.000 2.127 69 D HA -0.102 4.538 4.640 0.000 0.000 0.190 69 D C 1.543 177.814 176.300 -0.049 0.000 1.000 69 D CA 0.323 54.277 54.000 -0.076 0.000 0.839 69 D CB -0.461 40.307 40.800 -0.052 0.000 0.955 69 D HN 0.031 nan 8.370 nan 0.000 0.446 73 R N 1.949 122.546 120.500 0.161 0.000 2.153 73 R HA -0.051 4.289 4.340 0.000 0.000 0.252 73 R C 1.737 178.136 176.300 0.165 0.000 1.158 73 R CA 1.989 58.165 56.100 0.127 0.000 0.975 73 R CB -0.620 29.727 30.300 0.078 0.000 0.871 73 R HN 0.568 nan 8.270 nan 0.000 0.450 74 N N -0.533 118.312 118.700 0.242 0.000 2.354 74 N HA -0.109 4.631 4.740 0.000 0.000 0.179 74 N C 1.430 177.131 175.510 0.319 0.000 1.021 74 N CA 0.621 53.833 53.050 0.270 0.000 0.887 74 N CB 0.006 38.701 38.487 0.346 0.000 0.974 74 N HN 0.094 nan 8.380 nan 0.000 0.437 75 F N 2.770 122.849 119.950 0.215 0.000 2.098 75 F HA -0.036 4.491 4.527 0.000 0.000 0.294 75 F C 2.159 177.988 175.800 0.048 0.000 1.107 75 F CA 0.650 58.725 58.000 0.125 0.000 1.234 75 F CB -0.536 38.572 39.000 0.180 0.000 1.002 75 F HN -0.177 nan 8.300 nan 0.000 0.472 76 I N 0.976 121.522 120.570 -0.040 0.000 2.091 76 I HA -0.384 3.786 4.170 0.000 0.000 0.240 76 I C 2.412 178.436 176.117 -0.156 0.000 1.046 76 I CA 2.274 63.471 61.300 -0.172 0.000 1.306 76 I CB -1.736 36.245 38.000 -0.031 0.000 1.018 76 I HN 0.224 nan 8.210 nan 0.000 0.404 77 D N 0.885 121.263 120.400 -0.037 0.000 2.126 77 D HA -0.209 4.431 4.640 0.000 0.000 0.190 77 D C 2.089 178.363 176.300 -0.044 0.000 1.001 77 D CA 2.227 56.217 54.000 -0.018 0.000 0.841 77 D CB -0.056 40.767 40.800 0.038 0.000 0.949 77 D HN 0.334 nan 8.370 nan 0.000 0.446 78 A N 0.978 123.778 122.820 -0.033 0.000 1.851 78 A HA -0.161 4.159 4.320 0.000 0.000 0.216 78 A C 2.667 180.185 177.584 -0.110 0.000 1.195 78 A CA 2.609 54.630 52.037 -0.027 0.000 0.622 78 A CB -1.229 17.817 19.000 0.077 0.000 0.831 78 A HN 0.576 nan 8.150 nan 0.000 0.444 79 I N -1.939 118.454 120.570 -0.295 0.000 2.163 79 I HA -0.128 4.042 4.170 0.000 0.000 0.243 79 I C 1.192 177.212 176.117 -0.162 0.000 1.085 79 I CA 1.369 62.493 61.300 -0.292 0.000 1.347 79 I CB -0.616 37.055 38.000 -0.548 0.000 1.044 79 I HN 0.166 nan 8.210 nan 0.000 0.408 80 I N 1.956 122.435 120.570 -0.152 0.000 2.848 80 I HA -0.022 4.148 4.170 0.000 0.000 0.274 80 I C 1.066 177.151 176.117 -0.053 0.000 1.049 80 I CA 0.610 61.857 61.300 -0.089 0.000 2.038 80 I CB -0.547 37.407 38.000 -0.076 0.000 1.403 80 I HN 0.423 nan 8.210 nan 0.000 0.847 81 K N 1.115 121.488 120.400 -0.045 0.000 3.148 81 K HA 0.043 4.363 4.320 0.000 0.000 0.219 81 K C 1.027 177.619 176.600 -0.014 0.000 2.206 81 K CA 0.262 56.535 56.287 -0.022 0.000 1.506 81 K CB 0.022 32.513 32.500 -0.015 0.000 2.496 81 K HN -0.034 nan 8.250 nan 0.000 0.570 82 E N 1.855 122.048 120.200 -0.011 0.000 2.502 82 E HA 0.135 4.485 4.350 0.000 0.000 0.194 82 E C -0.793 175.808 176.600 0.003 0.000 1.062 82 E CA 0.342 56.745 56.400 0.004 0.000 0.867 82 E CB 0.198 29.910 29.700 0.019 0.000 0.888 82 E HN 0.302 nan 8.360 nan 0.000 0.510 83 K N 1.049 121.441 120.400 -0.013 0.000 3.585 83 K HA -0.164 4.156 4.320 0.000 0.000 0.275 83 K C -0.941 175.660 176.600 0.001 0.000 1.026 83 K CA -0.076 56.205 56.287 -0.012 0.000 0.800 83 K CB -0.914 31.585 32.500 -0.001 0.000 1.401 83 K HN 0.081 nan 8.250 nan 0.000 0.453 84 I N 2.820 123.377 120.570 -0.021 0.000 2.440 84 I HA 0.131 4.301 4.170 0.000 0.000 0.294 84 I C 0.722 176.832 176.117 -0.012 0.000 0.995 84 I CA -0.281 61.024 61.300 0.009 0.000 1.306 84 I CB 1.382 39.380 38.000 -0.004 0.000 1.407 84 I HN 0.423 nan 8.210 nan 0.000 0.501 85 N N 6.173 124.911 118.700 0.064 0.000 2.886 85 N HA 0.233 4.973 4.740 0.000 0.000 0.285 85 N C -2.840 172.747 175.510 0.127 0.000 1.706 85 N CA -1.411 51.705 53.050 0.110 0.000 0.904 85 N CB 0.539 39.133 38.487 0.179 0.000 1.224 85 N HN 0.265 nan 8.380 nan 0.000 0.488 86 P HA -0.045 nan 4.420 nan 0.000 0.261 86 P C 0.521 177.738 177.300 -0.138 0.000 1.173 86 P CA 0.177 63.193 63.100 -0.140 0.000 0.760 86 P CB 1.211 32.687 31.700 -0.373 0.000 0.783 87 A N 4.957 127.609 122.820 -0.280 0.000 1.858 87 A HA 0.255 4.575 4.320 0.000 0.000 0.215 87 A C 1.414 178.761 177.584 -0.395 0.000 1.320 87 A CA 1.575 53.138 52.037 -0.791 0.000 0.601 87 A CB -1.249 17.366 19.000 -0.642 0.000 0.976 87 A HN 0.590 nan 8.150 nan 0.000 0.470 88 G N -1.693 106.993 108.800 -0.190 0.000 2.773 88 G HA2 0.494 4.454 3.960 0.000 0.000 0.186 88 G HA3 0.494 4.454 3.960 0.000 0.000 0.186 88 G C 0.143 175.030 174.900 -0.022 0.000 1.411 88 G CA 0.095 45.151 45.100 -0.074 0.000 1.054 88 G HN 1.037 nan 8.290 nan 0.000 0.579 89 A N 1.581 124.406 122.820 0.009 0.000 2.396 89 A HA 0.574 4.894 4.320 0.000 0.000 0.279 89 A C -1.721 175.879 177.584 0.028 0.000 1.165 89 A CA -0.941 51.117 52.037 0.034 0.000 0.824 89 A CB -0.257 18.773 19.000 0.050 0.000 1.100 89 A HN 0.441 nan 8.150 nan 0.000 0.516 90 P HA 0.190 nan 4.420 nan 0.000 0.275 90 P C -0.457 176.752 177.300 -0.150 0.000 1.227 90 P CA 0.063 63.107 63.100 -0.092 0.000 0.781 90 P CB 0.753 32.278 31.700 -0.291 0.000 0.906 91 T N 3.376 117.861 114.554 -0.115 0.000 2.728 91 T HA 0.274 4.624 4.350 0.000 0.000 0.296 91 T C -0.200 174.423 174.700 -0.127 0.000 0.940 91 T CA 0.115 62.188 62.100 -0.045 0.000 1.013 91 T CB -0.281 68.584 68.868 -0.005 0.000 0.912 91 T HN 0.172 nan 8.240 nan 0.000 0.484 92 Y N 1.676 121.974 120.300 -0.003 0.000 2.299 92 Y HA 0.475 5.025 4.550 0.000 0.000 0.326 92 Y C 0.323 176.251 175.900 0.047 0.000 1.164 92 Y CA -0.926 57.185 58.100 0.018 0.000 1.234 92 Y CB 0.964 39.471 38.460 0.079 0.000 1.219 92 Y HN 0.263 nan 8.280 nan 0.000 0.497 93 V N 5.535 125.566 119.914 0.196 0.000 2.385 93 V HA 0.284 4.404 4.120 0.000 0.000 0.277 93 V C -2.323 173.885 176.094 0.191 0.000 1.012 93 V CA -1.915 60.470 62.300 0.142 0.000 0.832 93 V CB 1.144 32.997 31.823 0.050 0.000 1.028 93 V HN 0.605 nan 8.190 nan 0.000 0.436 94 P HA 0.287 nan 4.420 nan 0.000 0.275 94 P C 0.308 177.767 177.300 0.264 0.000 1.228 94 P CA 0.315 63.614 63.100 0.332 0.000 0.786 94 P CB 1.835 33.792 31.700 0.428 0.000 0.927 95 G N 1.701 110.661 108.800 0.267 0.000 2.574 95 G HA2 0.287 4.247 3.960 0.000 0.000 0.248 95 G HA3 0.287 4.247 3.960 0.000 0.000 0.248 95 G C -0.475 174.645 174.900 0.366 0.000 1.422 95 G CA -0.575 44.659 45.100 0.224 0.000 1.051 95 G HN 0.662 nan 8.290 nan 0.000 0.560 96 E N -0.784 119.583 120.200 0.278 0.000 2.223 96 E HA 0.167 4.517 4.350 0.000 0.000 0.282 96 E C 0.289 177.091 176.600 0.336 0.000 1.046 96 E CA -0.748 55.798 56.400 0.244 0.000 0.857 96 E CB 1.084 30.863 29.700 0.133 0.000 1.055 96 E HN 0.592 nan 8.360 nan 0.000 0.409 97 Y N 4.893 125.258 120.300 0.108 0.000 2.070 97 Y HA -0.163 4.387 4.550 0.000 0.000 0.279 97 Y C 0.179 176.082 175.900 0.006 0.000 1.134 97 Y CA 1.364 59.426 58.100 -0.063 0.000 1.113 97 Y CB 0.251 38.531 38.460 -0.300 0.000 0.981 97 Y HN 0.626 nan 8.280 nan 0.000 0.487 98 K N 1.034 121.194 120.400 -0.399 0.000 5.829 98 K HA -0.216 4.104 4.320 0.000 0.000 0.459 98 K C -0.798 175.348 176.600 -0.757 0.000 1.139 98 K CA 0.420 56.445 56.287 -0.437 0.000 1.349 98 K CB -1.351 31.032 32.500 -0.195 0.000 1.801 98 K HN 0.414 nan 8.250 nan 0.000 0.385 99 L N 1.817 122.613 121.223 -0.711 0.000 2.742 99 L HA -0.090 4.250 4.340 0.000 0.000 0.297 99 L C 1.427 178.129 176.870 -0.280 0.000 1.238 99 L CA 2.504 57.066 54.840 -0.463 0.000 0.895 99 L CB -0.016 41.968 42.059 -0.125 0.000 1.166 99 L HN 0.856 nan 8.230 nan 0.000 0.494 100 G N 2.483 111.171 108.800 -0.187 0.000 2.168 100 G HA2 -0.267 3.693 3.960 0.000 0.000 0.257 100 G HA3 -0.267 3.693 3.960 0.000 0.000 0.257 100 G C 0.261 175.107 174.900 -0.090 0.000 0.997 100 G CA 0.560 45.603 45.100 -0.094 0.000 0.708 100 G HN 0.727 nan 8.290 nan 0.000 0.520 101 E N -0.375 119.739 120.200 -0.142 0.000 2.378 101 E HA 0.372 4.722 4.350 0.000 0.000 0.265 101 E C -0.935 175.665 176.600 0.001 0.000 0.932 101 E CA -1.127 55.230 56.400 -0.073 0.000 0.795 101 E CB 1.003 30.648 29.700 -0.091 0.000 1.296 101 E HN 0.108 nan 8.360 nan 0.000 0.438 102 D N 0.949 121.378 120.400 0.049 0.000 2.455 102 D HA 0.067 4.707 4.640 0.000 0.000 0.241 102 D C -0.933 175.494 176.300 0.212 0.000 1.138 102 D CA 0.690 54.760 54.000 0.117 0.000 0.877 102 D CB 0.205 41.053 40.800 0.081 0.000 1.187 102 D HN 0.136 nan 8.370 nan 0.000 0.451 103 F N 1.749 121.757 119.950 0.096 0.000 2.493 103 F HA 0.378 4.905 4.527 0.000 0.000 0.329 103 F C -0.342 175.561 175.800 0.171 0.000 1.126 103 F CA -0.820 57.268 58.000 0.146 0.000 0.937 103 F CB 1.509 40.647 39.000 0.231 0.000 1.146 103 F HN 0.150 nan 8.300 nan 0.000 0.442 104 T N 4.933 119.236 114.554 -0.419 0.000 2.841 104 T HA 0.693 5.043 4.350 0.000 0.000 0.283 104 T C -1.066 173.361 174.700 -0.455 0.000 1.000 104 T CA -0.396 61.508 62.100 -0.326 0.000 0.977 104 T CB 1.256 70.067 68.868 -0.096 0.000 0.979 104 T HN 0.726 nan 8.240 nan 0.000 0.446 105 Y N 0.064 120.047 120.300 -0.528 0.000 2.698 105 Y HA 0.871 5.421 4.550 0.000 0.000 0.332 105 Y C -0.584 175.230 175.900 -0.143 0.000 1.119 105 Y CA -1.364 56.541 58.100 -0.325 0.000 1.109 105 Y CB 1.353 39.656 38.460 -0.262 0.000 1.308 105 Y HN 0.648 nan 8.280 nan 0.000 0.499 106 S N 0.441 116.056 115.700 -0.142 0.000 2.570 106 S HA 0.706 5.176 4.470 0.000 0.000 0.286 106 S C -1.484 172.960 174.600 -0.259 0.000 1.099 106 S CA -0.776 57.272 58.200 -0.254 0.000 0.913 106 S CB 2.098 65.217 63.200 -0.134 0.000 1.085 106 S HN 0.529 nan 8.310 nan 0.000 0.480 107 V N 2.432 122.124 119.914 -0.370 0.000 2.483 107 V HA 0.476 4.596 4.120 0.000 0.000 0.297 107 V C -0.560 175.396 176.094 -0.230 0.000 1.027 107 V CA -0.703 61.295 62.300 -0.504 0.000 0.855 107 V CB 1.583 32.699 31.823 -1.179 0.000 0.995 107 V HN 0.845 nan 8.190 nan 0.000 0.424 108 E N 4.885 124.986 120.200 -0.165 0.000 2.183 108 E HA 0.830 5.180 4.350 0.000 0.000 0.271 108 E C -1.173 175.434 176.600 0.012 0.000 0.919 108 E CA -0.439 55.864 56.400 -0.161 0.000 0.781 108 E CB 2.468 32.085 29.700 -0.138 0.000 1.140 108 E HN 0.630 nan 8.360 nan 0.000 0.402 109 F N -1.310 118.567 119.950 -0.122 0.000 2.858 109 F HA 0.435 4.962 4.527 0.000 0.000 0.319 109 F C -1.137 174.621 175.800 -0.069 0.000 1.166 109 F CA -1.306 56.639 58.000 -0.092 0.000 0.899 109 F CB 0.896 39.855 39.000 -0.069 0.000 1.332 109 F HN 0.066 nan 8.300 nan 0.000 0.461 110 E N 1.188 121.476 120.200 0.146 0.000 2.214 110 E HA 0.567 4.917 4.350 0.000 0.000 0.274 110 E C -1.257 175.426 176.600 0.139 0.000 0.977 110 E CA -0.875 55.547 56.400 0.036 0.000 0.827 110 E CB 2.871 32.556 29.700 -0.025 0.000 1.130 110 E HN 0.548 nan 8.360 nan 0.000 0.394 111 V N 3.447 123.412 119.914 0.085 0.000 2.513 111 V HA 0.222 4.342 4.120 0.000 0.000 0.299 111 V C -0.758 175.370 176.094 0.057 0.000 1.035 111 V CA -0.659 61.714 62.300 0.122 0.000 0.889 111 V CB 0.852 32.781 31.823 0.177 0.000 0.988 111 V HN 0.574 nan 8.190 nan 0.000 0.440 112 Y N 7.535 127.881 120.300 0.078 0.000 2.811 112 Y HA 0.075 4.625 4.550 0.000 0.000 0.334 112 Y C -1.482 174.441 175.900 0.038 0.000 1.247 112 Y CA -0.474 57.654 58.100 0.047 0.000 1.526 112 Y CB 0.370 38.850 38.460 0.033 0.000 1.284 112 Y HN 0.473 nan 8.280 nan 0.000 0.586 113 P HA -0.010 nan 4.420 nan 0.000 0.278 113 P C -0.900 176.453 177.300 0.088 0.000 1.238 113 P CA -0.484 62.683 63.100 0.112 0.000 0.794 113 P CB 0.959 32.711 31.700 0.087 0.000 0.955 114 E N 2.366 122.602 120.200 0.060 0.000 1.932 114 E HA 0.193 4.543 4.350 0.000 0.000 0.275 114 E C -0.794 175.824 176.600 0.031 0.000 1.159 114 E CA -0.583 55.842 56.400 0.041 0.000 0.905 114 E CB 0.429 30.148 29.700 0.032 0.000 1.059 114 E HN 0.175 nan 8.360 nan 0.000 0.400 115 V N 4.418 124.348 119.914 0.027 0.000 2.439 115 V HA 0.268 4.388 4.120 0.000 0.000 0.282 115 V C -0.553 175.549 176.094 0.013 0.000 1.039 115 V CA -0.394 61.919 62.300 0.021 0.000 0.913 115 V CB 1.554 33.391 31.823 0.022 0.000 0.983 115 V HN 0.772 nan 8.190 nan 0.000 0.460 116 E N 6.667 126.874 120.200 0.012 0.000 2.255 116 E HA 0.369 4.719 4.350 0.000 0.000 0.245 116 E C -0.729 175.876 176.600 0.008 0.000 0.909 116 E CA -0.639 55.766 56.400 0.009 0.000 0.747 116 E CB 1.096 30.801 29.700 0.008 0.000 1.215 116 E HN 0.826 nan 8.360 nan 0.000 0.424 117 L N 3.967 125.194 121.223 0.006 0.000 2.516 117 L HA -0.008 4.332 4.340 0.000 0.000 0.288 117 L C 0.440 177.314 176.870 0.006 0.000 1.246 117 L CA 0.980 55.824 54.840 0.006 0.000 0.844 117 L CB 0.215 42.276 42.059 0.004 0.000 1.106 117 L HN 0.685 nan 8.230 nan 0.000 0.509 118 Q N 0.815 120.619 119.800 0.006 0.000 2.829 118 Q HA 0.375 4.715 4.340 0.000 0.000 0.296 118 Q C 0.163 176.167 176.000 0.006 0.000 0.893 118 Q CA -0.438 55.369 55.803 0.006 0.000 0.772 118 Q CB 1.226 29.968 28.738 0.006 0.000 1.489 118 Q HN 0.699 nan 8.270 nan 0.000 0.420 119 G N 0.205 109.008 108.800 0.005 0.000 2.187 119 G HA2 -0.300 3.660 3.960 0.000 0.000 0.261 119 G HA3 -0.300 3.660 3.960 0.000 0.000 0.261 119 G C 0.377 175.280 174.900 0.005 0.000 1.000 119 G CA 0.949 46.052 45.100 0.005 0.000 0.718 119 G HN 0.496 nan 8.290 nan 0.000 0.519 120 L N -0.457 120.769 121.223 0.005 0.000 2.068 120 L HA 0.098 4.438 4.340 0.000 0.000 0.204 120 L C 2.409 179.281 176.870 0.004 0.000 1.076 120 L CA 1.488 56.331 54.840 0.005 0.000 0.753 120 L CB -0.266 41.795 42.059 0.004 0.000 0.910 120 L HN 0.436 nan 8.230 nan 0.000 0.439 121 E N 0.430 120.632 120.200 0.004 0.000 2.527 121 E HA -0.147 4.203 4.350 0.000 0.000 0.204 121 E C 0.931 177.534 176.600 0.004 0.000 1.132 121 E CA 0.506 56.908 56.400 0.003 0.000 0.905 121 E CB 0.158 29.860 29.700 0.003 0.000 0.875 121 E HN 0.440 nan 8.360 nan 0.000 0.548 122 A N 0.336 123.158 122.820 0.004 0.000 2.635 122 A HA 0.213 4.533 4.320 0.000 0.000 0.279 122 A C 0.098 177.685 177.584 0.005 0.000 1.122 122 A CA -0.533 51.506 52.037 0.004 0.000 0.965 122 A CB 0.463 19.466 19.000 0.004 0.000 1.221 122 A HN 0.113 nan 8.150 nan 0.000 0.566 123 I N 1.467 122.040 120.570 0.005 0.000 2.754 123 I HA 0.133 4.303 4.170 0.000 0.000 0.285 123 I C -0.025 176.096 176.117 0.005 0.000 1.166 123 I CA 0.288 61.591 61.300 0.006 0.000 1.417 123 I CB 0.252 38.256 38.000 0.006 0.000 1.382 123 I HN 0.230 nan 8.210 nan 0.000 0.588 124 E N 5.463 125.666 120.200 0.005 0.000 2.070 124 E HA 0.329 4.679 4.350 0.000 0.000 0.261 124 E C -0.996 175.607 176.600 0.006 0.000 0.926 124 E CA -0.418 55.985 56.400 0.005 0.000 0.760 124 E CB 1.646 31.349 29.700 0.005 0.000 1.133 124 E HN 0.207 nan 8.360 nan 0.000 0.420 125 V N 2.631 122.548 119.914 0.006 0.000 2.384 125 V HA 0.159 4.279 4.120 0.000 0.000 0.287 125 V C 0.430 176.527 176.094 0.006 0.000 1.020 125 V CA -0.722 61.582 62.300 0.006 0.000 0.850 125 V CB 1.762 33.589 31.823 0.006 0.000 0.987 125 V HN 0.517 nan 8.190 nan 0.000 0.436 126 E N 5.012 125.216 120.200 0.006 0.000 1.986 126 E HA 0.195 4.545 4.350 0.000 0.000 0.264 126 E C -0.092 176.512 176.600 0.008 0.000 1.023 126 E CA -0.539 55.865 56.400 0.007 0.000 0.834 126 E CB 0.544 30.248 29.700 0.006 0.000 1.111 126 E HN 0.620 nan 8.360 nan 0.000 0.417 127 K N 6.042 126.447 120.400 0.009 0.000 2.383 127 K HA 0.189 4.510 4.320 0.000 0.000 0.286 127 K C -2.203 174.405 176.600 0.012 0.000 1.051 127 K CA -1.489 54.804 56.287 0.011 0.000 0.974 127 K CB 0.702 33.209 32.500 0.010 0.000 0.968 127 K HN 0.291 nan 8.250 nan 0.000 0.475 128 P HA 0.184 nan 4.420 nan 0.000 0.281 128 P C -0.749 176.565 177.300 0.023 0.000 1.249 128 P CA -0.499 62.612 63.100 0.018 0.000 0.810 128 P CB 1.014 32.725 31.700 0.018 0.000 1.008 129 I N 2.517 123.102 120.570 0.025 0.000 2.382 129 I HA 0.347 4.517 4.170 0.000 0.000 0.286 129 I C 0.156 176.296 176.117 0.038 0.000 1.002 129 I CA -0.773 60.544 61.300 0.028 0.000 1.135 129 I CB 1.145 39.158 38.000 0.021 0.000 1.288 129 I HN 0.154 nan 8.210 nan 0.000 0.448 130 V N 4.473 124.417 119.914 0.050 0.000 3.147 130 V HA 0.717 4.837 4.120 0.000 0.000 0.306 130 V C -0.708 175.427 176.094 0.067 0.000 1.209 130 V CA -0.869 61.474 62.300 0.073 0.000 1.023 130 V CB 2.545 34.437 31.823 0.114 0.000 1.059 130 V HN 0.801 nan 8.190 nan 0.000 0.435 131 E N 0.481 120.720 120.200 0.066 0.000 2.366 131 E HA 0.674 5.024 4.350 0.000 0.000 0.278 131 E C -1.834 174.758 176.600 -0.013 0.000 0.923 131 E CA -0.984 55.430 56.400 0.023 0.000 0.761 131 E CB 2.548 32.252 29.700 0.007 0.000 1.231 131 E HN 0.340 nan 8.360 nan 0.000 0.443 132 V N 3.067 122.920 119.914 -0.101 0.000 2.352 132 V HA 0.098 4.218 4.120 0.000 0.000 0.253 132 V C 0.177 176.181 176.094 -0.149 0.000 1.083 132 V CA 0.075 62.229 62.300 -0.243 0.000 0.993 132 V CB 0.313 31.918 31.823 -0.362 0.000 1.111 132 V HN 0.747 nan 8.190 nan 0.000 0.490 133 T N 3.748 118.242 114.554 -0.100 0.000 2.855 133 T HA -0.021 4.329 4.350 0.000 0.000 0.314 133 T C 1.265 175.923 174.700 -0.069 0.000 1.077 133 T CA -0.101 61.964 62.100 -0.058 0.000 1.095 133 T CB 0.456 69.313 68.868 -0.019 0.000 0.987 133 T HN 0.670 nan 8.240 nan 0.000 0.546 134 D N 1.205 121.577 120.400 -0.048 0.000 2.178 134 D HA -0.077 4.563 4.640 0.000 0.000 0.202 134 D C 2.140 178.416 176.300 -0.040 0.000 0.974 134 D CA 1.013 54.985 54.000 -0.047 0.000 0.841 134 D CB 0.033 40.812 40.800 -0.034 0.000 0.953 134 D HN 0.601 nan 8.370 nan 0.000 0.478 135 A N 1.319 124.122 122.820 -0.027 0.000 1.930 135 A HA -0.179 4.141 4.320 0.000 0.000 0.217 135 A C 1.827 179.402 177.584 -0.014 0.000 1.175 135 A CA 1.408 53.436 52.037 -0.015 0.000 0.627 135 A CB -0.218 18.780 19.000 -0.002 0.000 0.815 135 A HN 0.027 nan 8.150 nan 0.000 0.443 136 D N -0.177 120.209 120.400 -0.024 0.000 2.104 136 D HA -0.117 4.523 4.640 0.000 0.000 0.194 136 D C 2.006 178.269 176.300 -0.062 0.000 0.994 136 D CA 1.484 55.467 54.000 -0.028 0.000 0.830 136 D CB -0.546 40.190 40.800 -0.106 0.000 0.959 136 D HN 0.199 nan 8.370 nan 0.000 0.452 137 V N 1.396 121.254 119.914 -0.094 0.000 2.515 137 V HA -0.182 3.938 4.120 0.000 0.000 0.250 137 V C 1.957 178.015 176.094 -0.060 0.000 1.058 137 V CA 1.499 63.745 62.300 -0.091 0.000 1.064 137 V CB -0.288 31.479 31.823 -0.094 0.000 0.675 137 V HN 0.112 nan 8.190 nan 0.000 0.461 138 D N 0.377 120.751 120.400 -0.044 0.000 2.097 138 D HA -0.045 4.595 4.640 0.000 0.000 0.195 138 D C 1.406 177.692 176.300 -0.023 0.000 0.989 138 D CA 1.292 55.272 54.000 -0.033 0.000 0.827 138 D CB -0.333 40.452 40.800 -0.025 0.000 0.966 138 D HN 0.486 nan 8.370 nan 0.000 0.456 142 D N 0.651 121.038 120.400 -0.022 0.000 2.097 142 D HA -0.172 4.468 4.640 0.000 0.000 0.195 142 D C 1.968 178.258 176.300 -0.015 0.000 0.989 142 D CA 2.466 56.453 54.000 -0.021 0.000 0.827 142 D CB 0.087 40.875 40.800 -0.019 0.000 0.966 142 D HN 0.394 nan 8.370 nan 0.000 0.456 143 T N 0.087 114.639 114.554 -0.002 0.000 2.737 143 T HA -0.156 4.194 4.350 0.000 0.000 0.265 143 T C 2.109 176.819 174.700 0.017 0.000 1.038 143 T CA 0.648 62.752 62.100 0.008 0.000 1.144 143 T CB -0.445 68.438 68.868 0.026 0.000 0.866 143 T HN -0.050 nan 8.240 nan 0.000 0.434 144 L N 1.045 122.279 121.223 0.018 0.000 2.263 144 L HA 0.045 4.385 4.340 0.000 0.000 0.216 144 L C 2.777 179.690 176.870 0.072 0.000 1.111 144 L CA 1.594 56.454 54.840 0.034 0.000 0.773 144 L CB -0.538 41.497 42.059 -0.041 0.000 0.906 144 L HN 0.342 nan 8.230 nan 0.000 0.439 145 R N -1.537 118.992 120.500 0.047 0.000 2.189 145 R HA 0.013 4.353 4.340 0.000 0.000 0.203 145 R C 2.050 178.339 176.300 -0.019 0.000 1.012 145 R CA 0.375 56.502 56.100 0.044 0.000 1.015 145 R CB -0.009 30.287 30.300 -0.007 0.000 0.938 145 R HN 0.340 nan 8.270 nan 0.000 0.472 146 K N 0.777 121.155 120.400 -0.037 0.000 2.062 146 K HA -0.060 4.260 4.320 0.000 0.000 0.205 146 K C 1.972 178.541 176.600 -0.052 0.000 1.051 146 K CA 0.780 57.016 56.287 -0.085 0.000 0.941 146 K CB 0.062 32.513 32.500 -0.081 0.000 0.719 146 K HN 0.136 nan 8.250 nan 0.000 0.440 147 Q N 0.757 120.560 119.800 0.005 0.000 2.268 147 Q HA -0.171 4.169 4.340 0.000 0.000 0.210 147 Q C 0.318 176.345 176.000 0.045 0.000 0.988 147 Q CA 1.324 57.150 55.803 0.038 0.000 0.883 147 Q CB -0.045 28.733 28.738 0.067 0.000 0.911 147 Q HN 0.422 nan 8.270 nan 0.000 0.430 148 Q N -0.790 119.037 119.800 0.046 0.000 2.771 148 Q HA 0.582 4.922 4.340 0.000 0.000 0.247 148 Q C -1.089 174.901 176.000 -0.017 0.000 0.986 148 Q CA -0.322 55.517 55.803 0.059 0.000 0.713 148 Q CB 1.755 30.592 28.738 0.165 0.000 1.241 148 Q HN 0.147 nan 8.270 nan 0.000 0.488 149 A N 1.004 123.776 122.820 -0.080 0.000 2.566 149 A HA 0.937 5.257 4.320 0.000 0.000 0.291 149 A C -0.736 176.760 177.584 -0.147 0.000 1.278 149 A CA -0.573 51.369 52.037 -0.159 0.000 0.711 149 A CB 1.641 20.483 19.000 -0.264 0.000 1.332 149 A HN 0.400 nan 8.150 nan 0.000 0.478 150 T N -3.199 111.239 114.554 -0.193 0.000 2.933 150 T HA 0.560 4.910 4.350 0.000 0.000 0.305 150 T C -1.584 173.025 174.700 -0.152 0.000 1.092 150 T CA -0.282 61.767 62.100 -0.086 0.000 1.008 150 T CB 0.785 69.643 68.868 -0.017 0.000 1.102 150 T HN 0.605 nan 8.240 nan 0.000 0.469 151 W N 2.795 124.087 121.300 -0.013 0.000 2.345 151 W HA 0.442 5.102 4.660 0.000 0.000 0.308 151 W C 0.815 177.326 176.519 -0.014 0.000 1.273 151 W CA -0.594 56.742 57.345 -0.014 0.000 1.243 151 W CB 0.740 30.192 29.460 -0.013 0.000 1.260 151 W HN 0.699 nan 8.180 nan 0.000 0.509 152 K N 3.898 124.378 120.400 0.133 0.000 2.201 152 K HA 0.179 4.499 4.320 0.000 0.000 0.278 152 K C -0.183 176.482 176.600 0.108 0.000 1.027 152 K CA -0.455 55.882 56.287 0.083 0.000 0.909 152 K CB 0.744 33.256 32.500 0.020 0.000 1.062 152 K HN 0.484 nan 8.250 nan 0.000 0.465 153 E N 4.371 124.620 120.200 0.083 0.000 2.238 153 E HA -0.045 4.305 4.350 0.000 0.000 0.264 153 E C 0.068 176.701 176.600 0.054 0.000 1.136 153 E CA 0.208 56.651 56.400 0.070 0.000 0.929 153 E CB 0.941 30.670 29.700 0.049 0.000 1.010 153 E HN 0.418 nan 8.360 nan 0.000 0.440 154 K N 1.941 122.378 120.400 0.061 0.000 2.863 154 K HA -0.063 4.257 4.320 0.000 0.000 0.315 154 K C 0.549 177.168 176.600 0.032 0.000 1.051 154 K CA 0.341 56.654 56.287 0.044 0.000 1.028 154 K CB 0.377 32.907 32.500 0.051 0.000 1.129 154 K HN 0.455 nan 8.250 nan 0.000 0.459 155 D N -2.583 117.832 120.400 0.025 0.000 1.638 155 D HA 0.046 4.686 4.640 0.000 0.000 0.722 155 D C 0.315 176.623 176.300 0.013 0.000 0.662 155 D CA 0.392 54.404 54.000 0.019 0.000 1.220 155 D CB -0.369 40.440 40.800 0.014 0.000 1.303 155 D HN 0.542 nan 8.370 nan 0.000 0.452 156 G N 1.005 109.809 108.800 0.007 0.000 2.510 156 G HA2 0.552 4.513 3.960 0.000 0.000 0.280 156 G HA3 0.552 4.513 3.960 0.000 0.000 0.280 156 G C 0.205 175.100 174.900 -0.008 0.000 1.386 156 G CA 0.293 45.390 45.100 -0.004 0.000 1.047 156 G HN 0.291 nan 8.290 nan 0.000 0.527 157 A N -1.536 121.268 122.820 -0.027 0.000 2.586 157 A HA 0.364 4.684 4.320 0.000 0.000 0.231 157 A C 0.409 177.980 177.584 -0.021 0.000 1.055 157 A CA -0.006 52.005 52.037 -0.043 0.000 0.756 157 A CB 0.030 18.989 19.000 -0.069 0.000 0.988 157 A HN 0.787 nan 8.150 nan 0.000 0.509 158 V N 2.847 122.750 119.914 -0.019 0.000 2.583 158 V HA 0.232 4.352 4.120 0.000 0.000 0.287 158 V C 0.449 176.540 176.094 -0.005 0.000 1.051 158 V CA 0.026 62.329 62.300 0.005 0.000 1.010 158 V CB 0.838 32.675 31.823 0.024 0.000 0.988 158 V HN 0.997 nan 8.190 nan 0.000 0.478 159 E N 2.352 122.558 120.200 0.011 0.000 2.249 159 E HA 0.731 5.081 4.350 0.000 0.000 0.263 159 E C -0.026 176.587 176.600 0.022 0.000 0.950 159 E CA -0.812 55.593 56.400 0.007 0.000 0.827 159 E CB 1.708 31.413 29.700 0.008 0.000 1.220 159 E HN 0.781 nan 8.360 nan 0.000 0.411 160 A N 1.328 124.159 122.820 0.017 0.000 2.407 160 A HA -0.060 4.260 4.320 0.000 0.000 0.257 160 A C 0.838 178.454 177.584 0.054 0.000 1.131 160 A CA 0.911 52.965 52.037 0.028 0.000 0.803 160 A CB -0.425 18.588 19.000 0.021 0.000 1.083 160 A HN 0.998 nan 8.150 nan 0.000 0.512 161 E N -2.131 118.112 120.200 0.070 0.000 3.436 161 E HA -0.332 4.018 4.350 0.000 0.000 0.284 161 E C -0.174 176.556 176.600 0.217 0.000 0.830 161 E CA 1.649 58.120 56.400 0.120 0.000 0.908 161 E CB -1.897 27.855 29.700 0.087 0.000 1.458 161 E HN 0.671 nan 8.360 nan 0.000 0.467 162 D N 0.897 121.405 120.400 0.181 0.000 2.314 162 D HA 0.213 4.853 4.640 0.000 0.000 0.252 162 D C 0.221 176.649 176.300 0.214 0.000 1.295 162 D CA 0.029 54.191 54.000 0.271 0.000 0.995 162 D CB 0.403 41.292 40.800 0.148 0.000 1.125 162 D HN 0.185 nan 8.370 nan 0.000 0.537 163 R N 0.116 120.671 120.500 0.092 0.000 2.483 163 R HA 0.453 4.793 4.340 0.000 0.000 0.303 163 R C -1.615 174.602 176.300 -0.138 0.000 0.987 163 R CA -0.537 55.422 56.100 -0.235 0.000 0.881 163 R CB 0.989 30.783 30.300 -0.843 0.000 1.177 163 R HN 0.107 nan 8.270 nan 0.000 0.451 164 V N 2.735 122.578 119.914 -0.118 0.000 2.667 164 V HA 0.455 4.575 4.120 0.000 0.000 0.308 164 V C -0.126 175.925 176.094 -0.072 0.000 1.048 164 V CA -0.655 61.611 62.300 -0.057 0.000 0.928 164 V CB 2.174 33.994 31.823 -0.006 0.000 1.004 164 V HN 0.748 nan 8.190 nan 0.000 0.444 165 T N 6.033 120.570 114.554 -0.029 0.000 2.874 165 T HA 0.611 4.961 4.350 0.000 0.000 0.321 165 T C -0.201 174.532 174.700 0.054 0.000 1.075 165 T CA -0.079 62.012 62.100 -0.015 0.000 0.966 165 T CB 0.006 68.856 68.868 -0.031 0.000 1.001 165 T HN 0.594 nan 8.240 nan 0.000 0.476 166 I N -0.675 119.973 120.570 0.131 0.000 3.170 166 I HA 0.792 4.962 4.170 0.000 0.000 0.312 166 I C -1.131 175.057 176.117 0.119 0.000 1.085 166 I CA -1.156 60.236 61.300 0.154 0.000 0.999 166 I CB 2.308 40.455 38.000 0.246 0.000 1.233 166 I HN 0.160 nan 8.210 nan 0.000 0.467 167 D N 2.787 123.221 120.400 0.056 0.000 2.542 167 D HA 0.449 5.089 4.640 0.000 0.000 0.252 167 D C -1.319 174.971 176.300 -0.016 0.000 1.222 167 D CA 0.089 54.047 54.000 -0.071 0.000 0.895 167 D CB 2.035 42.804 40.800 -0.052 0.000 1.207 167 D HN 0.472 nan 8.370 nan 0.000 0.558 168 F N -0.889 119.064 119.950 0.005 0.000 2.593 168 F HA 0.786 5.313 4.527 0.000 0.000 0.320 168 F C -0.571 175.223 175.800 -0.010 0.000 1.060 168 F CA -0.920 57.094 58.000 0.025 0.000 0.940 168 F CB 1.662 40.728 39.000 0.111 0.000 1.268 168 F HN -0.128 nan 8.300 nan 0.000 0.475 169 T N 1.553 116.313 114.554 0.344 0.000 2.881 169 T HA 0.600 4.950 4.350 0.000 0.000 0.291 169 T C 0.019 174.747 174.700 0.047 0.000 0.990 169 T CA -0.638 61.540 62.100 0.130 0.000 0.976 169 T CB 1.248 70.106 68.868 -0.016 0.000 0.970 169 T HN 1.116 nan 8.240 nan 0.000 0.438 170 G N 1.463 110.157 108.800 -0.177 0.000 2.483 170 G HA2 0.487 4.447 3.960 0.000 0.000 0.248 170 G HA3 0.487 4.447 3.960 0.000 0.000 0.248 170 G C -0.407 174.145 174.900 -0.580 0.000 1.248 170 G CA -0.305 44.370 45.100 -0.708 0.000 0.838 170 G HN 0.683 nan 8.290 nan 0.000 0.566 171 S N 0.186 115.741 115.700 -0.241 0.000 2.614 171 S HA 0.434 4.904 4.470 0.000 0.000 0.275 171 S C -0.912 173.769 174.600 0.135 0.000 1.161 171 S CA -0.657 57.564 58.200 0.035 0.000 0.969 171 S CB 1.754 64.901 63.200 -0.089 0.000 1.059 171 S HN 0.593 nan 8.310 nan 0.000 0.482 172 V N 5.346 125.354 119.914 0.157 0.000 2.239 172 V HA 0.418 4.539 4.120 0.000 0.000 0.267 172 V C 0.131 176.217 176.094 -0.013 0.000 1.056 172 V CA -0.333 61.963 62.300 -0.006 0.000 0.830 172 V CB 0.443 32.173 31.823 -0.155 0.000 1.090 172 V HN 1.102 nan 8.190 nan 0.000 0.459 173 D N 3.733 124.124 120.400 -0.015 0.000 3.059 173 D HA -0.219 4.421 4.640 0.000 0.000 0.213 173 D C 1.142 177.438 176.300 -0.006 0.000 1.144 173 D CA 1.915 55.907 54.000 -0.013 0.000 0.975 173 D CB -0.763 40.026 40.800 -0.019 0.000 1.125 173 D HN 0.943 nan 8.370 nan 0.000 0.412 174 G N -0.408 108.393 108.800 0.001 0.000 4.366 174 G HA2 -0.086 3.874 3.960 0.000 0.000 0.194 174 G HA3 -0.086 3.874 3.960 0.000 0.000 0.194 174 G C -0.223 174.683 174.900 0.010 0.000 1.275 174 G CA -0.176 44.925 45.100 0.002 0.000 0.847 174 G HN 0.251 nan 8.290 nan 0.000 0.299 175 E N 1.411 121.626 120.200 0.026 0.000 2.242 175 E HA 0.475 4.825 4.350 0.000 0.000 0.275 175 E C -0.198 176.457 176.600 0.091 0.000 1.002 175 E CA -0.467 55.956 56.400 0.038 0.000 0.841 175 E CB 1.714 31.434 29.700 0.034 0.000 1.109 175 E HN 0.518 nan 8.360 nan 0.000 0.394 176 E N 1.353 121.582 120.200 0.048 0.000 3.056 176 E HA 0.312 4.662 4.350 0.000 0.000 0.275 176 E C -0.296 176.397 176.600 0.155 0.000 1.468 176 E CA -0.050 56.349 56.400 -0.001 0.000 1.219 176 E CB 0.315 29.953 29.700 -0.103 0.000 1.119 176 E HN 0.348 nan 8.360 nan 0.000 0.710 177 F N -3.059 116.875 119.950 -0.028 0.000 2.842 177 F HA 0.272 4.799 4.527 0.000 0.000 0.319 177 F C -0.604 175.199 175.800 0.004 0.000 1.159 177 F CA -1.322 56.664 58.000 -0.024 0.000 0.902 177 F CB 0.580 39.552 39.000 -0.048 0.000 1.311 177 F HN 0.342 nan 8.300 nan 0.000 0.453 178 E N 0.873 121.213 120.200 0.233 0.000 2.458 178 E HA 0.319 4.669 4.350 0.000 0.000 0.264 178 E C 1.193 177.903 176.600 0.183 0.000 1.097 178 E CA 1.081 57.567 56.400 0.144 0.000 0.973 178 E CB 0.465 30.246 29.700 0.135 0.000 0.963 178 E HN 1.581 nan 8.360 nan 0.000 0.451 179 G N 2.279 111.146 108.800 0.112 0.000 2.402 179 G HA2 -0.281 3.679 3.960 0.000 0.000 0.300 179 G HA3 -0.281 3.679 3.960 0.000 0.000 0.300 179 G C 0.584 175.572 174.900 0.147 0.000 0.987 179 G CA 0.774 45.963 45.100 0.149 0.000 0.881 179 G HN 0.710 nan 8.290 nan 0.000 0.512 180 G N -1.276 107.471 108.800 -0.088 0.000 2.833 180 G HA2 0.359 4.319 3.960 0.000 0.000 0.214 180 G HA3 0.359 4.319 3.960 0.000 0.000 0.214 180 G C 0.625 175.512 174.900 -0.021 0.000 1.075 180 G CA 0.159 45.094 45.100 -0.276 0.000 0.799 180 G HN 0.522 nan 8.290 nan 0.000 0.541 181 K N 0.648 120.983 120.400 -0.107 0.000 2.130 181 K HA 0.733 5.053 4.320 0.000 0.000 0.268 181 K C -0.757 175.624 176.600 -0.365 0.000 0.983 181 K CA -0.269 55.915 56.287 -0.172 0.000 0.893 181 K CB 2.135 34.541 32.500 -0.157 0.000 1.066 181 K HN 0.155 nan 8.250 nan 0.000 0.450 182 A N 1.138 123.569 122.820 -0.649 0.000 2.540 182 A HA 0.521 4.841 4.320 0.000 0.000 0.297 182 A C -1.231 176.010 177.584 -0.572 0.000 1.056 182 A CA -0.837 50.682 52.037 -0.864 0.000 0.700 182 A CB 1.326 19.152 19.000 -1.958 0.000 1.280 182 A HN 0.636 nan 8.150 nan 0.000 0.398 183 S N 0.780 116.297 115.700 -0.305 0.000 2.548 183 S HA 0.650 5.120 4.470 0.000 0.000 0.286 183 S C -0.295 174.274 174.600 -0.053 0.000 1.098 183 S CA 0.005 58.112 58.200 -0.155 0.000 0.930 183 S CB 1.563 64.698 63.200 -0.109 0.000 1.070 183 S HN 1.413 nan 8.310 nan 0.000 0.480 184 D N -0.241 120.151 120.400 -0.013 0.000 2.686 184 D HA -0.206 4.434 4.640 0.000 0.000 0.235 184 D C -1.036 175.314 176.300 0.084 0.000 1.160 184 D CA 0.731 54.743 54.000 0.021 0.000 0.645 184 D CB -1.296 39.505 40.800 0.002 0.000 1.039 184 D HN 0.510 nan 8.370 nan 0.000 0.423 185 F N 0.554 120.451 119.950 -0.087 0.000 2.411 185 F HA 0.439 4.966 4.527 0.000 0.000 0.350 185 F C 0.080 175.870 175.800 -0.016 0.000 1.114 185 F CA -0.949 57.020 58.000 -0.053 0.000 1.135 185 F CB 0.857 39.818 39.000 -0.065 0.000 1.120 185 F HN -0.053 nan 8.300 nan 0.000 0.495 186 V N 6.186 125.806 119.914 -0.491 0.000 2.370 186 V HA 0.631 4.751 4.120 0.000 0.000 0.279 186 V C -1.042 174.643 176.094 -0.681 0.000 1.029 186 V CA -0.863 61.167 62.300 -0.451 0.000 0.870 186 V CB 1.058 32.682 31.823 -0.333 0.000 0.984 186 V HN 0.712 nan 8.190 nan 0.000 0.451 187 L N 4.949 125.906 121.223 -0.443 0.000 2.376 187 L HA 0.986 5.326 4.340 0.000 0.000 0.275 187 L C 0.164 176.899 176.870 -0.224 0.000 0.987 187 L CA -0.315 54.326 54.840 -0.333 0.000 0.828 187 L CB 1.253 43.238 42.059 -0.123 0.000 1.249 187 L HN 0.992 nan 8.230 nan 0.000 0.409 191 Q N -0.106 119.725 119.800 0.052 0.000 2.028 191 Q HA 0.275 4.615 4.340 0.000 0.000 0.207 191 Q C 1.303 177.336 176.000 0.054 0.000 0.776 191 Q CA -0.110 55.725 55.803 0.054 0.000 1.015 191 Q CB 1.896 30.668 28.738 0.056 0.000 1.215 191 Q HN 1.103 nan 8.270 nan 0.000 0.445 192 G N 2.537 111.370 108.800 0.055 0.000 2.356 192 G HA2 -0.288 3.672 3.960 0.000 0.000 0.296 192 G HA3 -0.288 3.672 3.960 0.000 0.000 0.296 192 G C 0.196 175.141 174.900 0.075 0.000 1.022 192 G CA 0.427 45.564 45.100 0.061 0.000 0.961 192 G HN 0.012 nan 8.290 nan 0.000 0.510 196 P HA 0.127 nan 4.420 nan 0.000 0.256 196 P C 0.857 178.151 177.300 -0.010 0.000 1.173 196 P CA 1.561 64.663 63.100 0.003 0.000 0.768 196 P CB 0.616 32.324 31.700 0.013 0.000 0.758 197 G N 2.833 111.641 108.800 0.013 0.000 2.316 197 G HA2 -0.308 3.653 3.960 0.000 0.000 0.203 197 G HA3 -0.308 3.653 3.960 0.000 0.000 0.203 197 G C 0.470 175.402 174.900 0.053 0.000 0.999 197 G CA 0.091 45.203 45.100 0.021 0.000 0.649 197 G HN 0.455 nan 8.290 nan 0.000 0.489 198 F N 1.940 121.791 119.950 -0.165 0.000 2.053 198 F HA 0.239 4.766 4.527 0.000 0.000 0.292 198 F C 2.474 178.199 175.800 -0.126 0.000 1.125 198 F CA 2.338 60.195 58.000 -0.238 0.000 1.193 198 F CB -0.402 38.348 39.000 -0.416 0.000 0.996 198 F HN 0.286 nan 8.300 nan 0.000 0.470 199 E N -0.018 120.078 120.200 -0.173 0.000 2.209 199 E HA -0.227 4.123 4.350 0.000 0.000 0.196 199 E C 1.625 178.147 176.600 -0.129 0.000 0.993 199 E CA 1.466 57.735 56.400 -0.218 0.000 0.819 199 E CB -0.290 29.372 29.700 -0.064 0.000 0.745 199 E HN 0.519 nan 8.360 nan 0.000 0.477 200 D N 0.209 120.571 120.400 -0.063 0.000 2.084 200 D HA -0.120 4.520 4.640 0.000 0.000 0.194 200 D C 2.029 178.330 176.300 0.001 0.000 0.990 200 D CA 1.408 55.396 54.000 -0.020 0.000 0.826 200 D CB -0.663 40.139 40.800 0.003 0.000 0.971 200 D HN 0.253 nan 8.370 nan 0.000 0.453 201 G N 0.377 109.187 108.800 0.017 0.000 2.499 201 G HA2 -0.223 3.737 3.960 0.000 0.000 0.221 201 G HA3 -0.223 3.737 3.960 0.000 0.000 0.221 201 G C 1.566 176.599 174.900 0.222 0.000 1.109 201 G CA 0.519 45.688 45.100 0.115 0.000 0.749 201 G HN 0.256 nan 8.290 nan 0.000 0.568 202 I N -0.102 120.525 120.570 0.095 0.000 2.277 202 I HA 0.036 4.206 4.170 0.000 0.000 0.243 202 I C 1.435 177.645 176.117 0.156 0.000 1.094 202 I CA 0.196 61.623 61.300 0.211 0.000 1.393 202 I CB -0.127 37.870 38.000 -0.006 0.000 1.078 202 I HN 0.002 nan 8.210 nan 0.000 0.417 203 K N 1.765 122.186 120.400 0.035 0.000 2.405 203 K HA 0.027 4.348 4.320 0.000 0.000 0.273 203 K C 0.675 177.226 176.600 -0.081 0.000 1.116 203 K CA 1.117 57.396 56.287 -0.014 0.000 1.155 203 K CB -0.107 32.381 32.500 -0.021 0.000 0.858 203 K HN 0.495 nan 8.250 nan 0.000 0.477 204 G N 3.417 112.130 108.800 -0.144 0.000 2.705 204 G HA2 -0.142 3.818 3.960 0.000 0.000 0.193 204 G HA3 -0.142 3.818 3.960 0.000 0.000 0.193 204 G C -0.374 174.251 174.900 -0.460 0.000 1.015 204 G CA -0.582 44.332 45.100 -0.310 0.000 0.743 204 G HN 0.683 nan 8.290 nan 0.000 0.476 205 H N 1.294 120.222 119.070 -0.237 0.000 2.483 205 H HA 0.527 5.083 4.556 0.000 0.000 0.338 205 H C -0.169 175.074 175.328 -0.142 0.000 1.152 205 H CA -0.001 55.864 56.048 -0.304 0.000 1.264 205 H CB 1.239 30.584 29.762 -0.696 0.000 1.510 205 H HN 0.209 nan 8.280 nan 0.000 0.530 206 K N 0.938 121.346 120.400 0.013 0.000 2.138 206 K HA 0.504 4.824 4.320 0.000 0.000 0.263 206 K C -0.025 176.613 176.600 0.063 0.000 0.965 206 K CA -0.891 55.412 56.287 0.026 0.000 0.868 206 K CB 2.154 34.658 32.500 0.006 0.000 1.083 206 K HN 0.619 nan 8.250 nan 0.000 0.443 207 A N 0.989 123.848 122.820 0.064 0.000 2.615 207 A HA 0.252 4.572 4.320 0.000 0.000 0.230 207 A C 1.327 178.955 177.584 0.073 0.000 1.062 207 A CA 1.384 53.466 52.037 0.075 0.000 0.758 207 A CB -0.766 18.267 19.000 0.055 0.000 0.995 207 A HN 1.019 nan 8.150 nan 0.000 0.511 208 G N 0.229 109.078 108.800 0.082 0.000 2.284 208 G HA2 -0.235 3.725 3.960 0.000 0.000 0.230 208 G HA3 -0.235 3.725 3.960 0.000 0.000 0.230 208 G C 0.147 175.103 174.900 0.093 0.000 1.021 208 G CA 0.553 45.696 45.100 0.072 0.000 0.619 208 G HN 1.485 nan 8.290 nan 0.000 0.510 209 E N 1.199 121.477 120.200 0.129 0.000 2.319 209 E HA 0.639 4.989 4.350 0.000 0.000 0.268 209 E C -0.524 176.238 176.600 0.271 0.000 1.050 209 E CA -0.670 55.831 56.400 0.167 0.000 0.878 209 E CB 1.186 30.969 29.700 0.139 0.000 1.066 209 E HN 0.520 nan 8.360 nan 0.000 0.406 210 E N 1.995 122.335 120.200 0.234 0.000 2.199 210 E HA 0.518 4.868 4.350 0.000 0.000 0.269 210 E C -0.905 175.834 176.600 0.232 0.000 0.899 210 E CA -0.789 55.700 56.400 0.148 0.000 0.772 210 E CB 1.286 31.019 29.700 0.055 0.000 1.155 210 E HN 0.516 nan 8.360 nan 0.000 0.408 211 F N -1.925 117.982 119.950 -0.072 0.000 2.703 211 F HA 0.487 5.014 4.527 0.000 0.000 0.308 211 F C -0.960 174.814 175.800 -0.043 0.000 1.126 211 F CA -1.027 56.919 58.000 -0.090 0.000 0.959 211 F CB 1.287 40.139 39.000 -0.247 0.000 1.297 211 F HN 0.082 nan 8.300 nan 0.000 0.441 212 T N 3.348 117.909 114.554 0.011 0.000 2.902 212 T HA 0.765 5.115 4.350 0.000 0.000 0.283 212 T C -0.289 174.485 174.700 0.124 0.000 1.009 212 T CA -0.521 61.581 62.100 0.004 0.000 1.051 212 T CB 1.453 70.344 68.868 0.038 0.000 0.999 212 T HN 0.750 nan 8.240 nan 0.000 0.474 213 I N -0.941 119.718 120.570 0.147 0.000 3.002 213 I HA 0.812 4.982 4.170 0.000 0.000 0.310 213 I C -1.483 174.758 176.117 0.206 0.000 1.087 213 I CA -1.205 60.220 61.300 0.209 0.000 1.017 213 I CB 2.413 40.553 38.000 0.234 0.000 1.226 213 I HN 0.327 nan 8.210 nan 0.000 0.443 214 D N 2.974 123.475 120.400 0.169 0.000 2.391 214 D HA 0.685 5.325 4.640 0.000 0.000 0.245 214 D C -0.485 175.890 176.300 0.125 0.000 1.069 214 D CA -0.155 53.925 54.000 0.132 0.000 0.831 214 D CB 2.409 43.259 40.800 0.085 0.000 1.204 214 D HN 0.472 nan 8.370 nan 0.000 0.503 215 V N 0.788 120.774 119.914 0.121 0.000 3.119 215 V HA 0.773 4.893 4.120 0.000 0.000 0.311 215 V C -0.350 175.738 176.094 -0.009 0.000 1.259 215 V CA -0.790 61.539 62.300 0.048 0.000 1.067 215 V CB 2.448 34.288 31.823 0.029 0.000 1.123 215 V HN 0.566 nan 8.190 nan 0.000 0.463 216 T N 0.973 115.479 114.554 -0.080 0.000 3.483 216 T HA 0.469 4.819 4.350 0.000 0.000 0.329 216 T C -0.986 173.662 174.700 -0.087 0.000 1.014 216 T CA -0.249 61.830 62.100 -0.035 0.000 1.056 216 T CB 0.583 69.458 68.868 0.012 0.000 1.090 216 T HN 0.294 nan 8.240 nan 0.000 0.460 217 F N 5.126 124.994 119.950 -0.138 0.000 2.578 217 F HA 0.233 4.760 4.527 0.000 0.000 0.381 217 F C -1.208 174.532 175.800 -0.100 0.000 1.069 217 F CA -1.479 56.374 58.000 -0.245 0.000 1.231 217 F CB -0.034 38.686 39.000 -0.467 0.000 1.086 217 F HN 0.297 nan 8.300 nan 0.000 0.564 218 P HA -0.111 nan 4.420 nan 0.000 0.270 218 P C 0.105 177.488 177.300 0.138 0.000 1.216 218 P CA 0.154 63.321 63.100 0.112 0.000 0.788 218 P CB 0.589 32.361 31.700 0.121 0.000 0.883 219 E N 0.105 120.363 120.200 0.096 0.000 2.478 219 E HA -0.130 4.220 4.350 0.000 0.000 0.198 219 E C 0.761 177.416 176.600 0.091 0.000 1.046 219 E CA 0.844 57.291 56.400 0.078 0.000 0.870 219 E CB -0.084 29.645 29.700 0.050 0.000 0.818 219 E HN 0.597 nan 8.360 nan 0.000 0.527 220 E N -0.089 120.186 120.200 0.124 0.000 2.501 220 E HA 0.016 4.366 4.350 0.000 0.000 0.201 220 E C -0.509 176.201 176.600 0.184 0.000 1.016 220 E CA -0.403 56.070 56.400 0.121 0.000 0.920 220 E CB 0.233 29.992 29.700 0.099 0.000 1.023 220 E HN 0.136 nan 8.360 nan 0.000 0.474 221 Y N 3.246 123.592 120.300 0.076 0.000 2.811 221 Y HA -0.184 4.366 4.550 0.000 0.000 0.334 221 Y C 1.879 177.802 175.900 0.038 0.000 1.247 221 Y CA -0.015 58.147 58.100 0.104 0.000 1.526 221 Y CB 0.489 39.003 38.460 0.091 0.000 1.284 221 Y HN 0.217 nan 8.280 nan 0.000 0.586 222 H N 3.281 122.085 119.070 -0.443 0.000 2.457 222 H HA -0.018 4.538 4.556 0.000 0.000 0.297 222 H C 0.077 175.204 175.328 -0.335 0.000 1.092 222 H CA 0.958 56.794 56.048 -0.353 0.000 1.309 222 H CB -0.533 29.020 29.762 -0.348 0.000 1.382 222 H HN 0.503 nan 8.280 nan 0.000 0.535 223 A N 1.315 123.454 122.820 -1.136 0.000 2.290 223 A HA 0.221 4.541 4.320 0.000 0.000 0.310 223 A C 1.000 178.406 177.584 -0.298 0.000 1.202 223 A CA -0.488 51.147 52.037 -0.671 0.000 0.837 223 A CB 1.116 19.672 19.000 -0.739 0.000 1.139 223 A HN 0.413 nan 8.150 nan 0.000 0.509 224 E N 1.867 121.944 120.200 -0.205 0.000 2.028 224 E HA -0.192 4.158 4.350 0.000 0.000 0.190 224 E C 1.138 177.642 176.600 -0.161 0.000 0.984 224 E CA 1.471 57.789 56.400 -0.137 0.000 0.800 224 E CB -0.181 29.457 29.700 -0.103 0.000 0.758 224 E HN 0.890 nan 8.360 nan 0.000 0.448 225 N N 0.689 119.281 118.700 -0.180 0.000 2.251 225 N HA -0.223 4.517 4.740 0.000 0.000 0.196 225 N C 1.476 176.804 175.510 -0.302 0.000 0.993 225 N CA 1.378 54.304 53.050 -0.206 0.000 0.896 225 N CB -0.207 38.162 38.487 -0.197 0.000 0.994 225 N HN 0.198 nan 8.380 nan 0.000 0.452 226 L N -1.212 119.787 121.223 -0.374 0.000 2.685 226 L HA 0.175 4.515 4.340 0.000 0.000 0.235 226 L C 0.514 177.182 176.870 -0.337 0.000 1.070 226 L CA -0.378 54.112 54.840 -0.583 0.000 0.888 226 L CB 0.033 41.355 42.059 -1.227 0.000 1.203 226 L HN -0.057 nan 8.230 nan 0.000 0.499 227 K N 1.875 122.188 120.400 -0.144 0.000 2.364 227 K HA -0.024 4.296 4.320 0.000 0.000 0.265 227 K C 1.163 177.763 176.600 -0.000 0.000 1.189 227 K CA 1.119 57.409 56.287 0.005 0.000 1.224 227 K CB -0.296 32.202 32.500 -0.003 0.000 0.813 227 K HN 0.377 nan 8.250 nan 0.000 0.490 228 G N 3.225 112.059 108.800 0.056 0.000 2.268 228 G HA2 -0.296 3.664 3.960 0.000 0.000 0.240 228 G HA3 -0.296 3.664 3.960 0.000 0.000 0.240 228 G C -0.037 174.885 174.900 0.037 0.000 1.010 228 G CA 0.123 45.250 45.100 0.045 0.000 0.618 228 G HN 0.588 nan 8.290 nan 0.000 0.516 229 K N 1.486 121.892 120.400 0.011 0.000 2.350 229 K HA 0.574 4.894 4.320 0.000 0.000 0.279 229 K C 0.777 177.429 176.600 0.087 0.000 1.027 229 K CA 0.316 56.605 56.287 0.003 0.000 0.969 229 K CB 0.980 33.419 32.500 -0.101 0.000 0.954 229 K HN 0.533 nan 8.250 nan 0.000 0.474 230 A N 1.848 124.693 122.820 0.040 0.000 2.286 230 A HA 0.733 5.053 4.320 0.000 0.000 0.286 230 A C -0.505 177.098 177.584 0.031 0.000 1.097 230 A CA -0.106 51.956 52.037 0.041 0.000 0.821 230 A CB 0.977 19.989 19.000 0.020 0.000 1.076 230 A HN 0.791 nan 8.150 nan 0.000 0.490 231 A N 0.824 123.654 122.820 0.017 0.000 2.515 231 A HA 0.785 5.105 4.320 0.000 0.000 0.299 231 A C -0.938 176.601 177.584 -0.076 0.000 1.179 231 A CA -0.680 51.334 52.037 -0.039 0.000 0.656 231 A CB 1.028 20.004 19.000 -0.040 0.000 1.306 231 A HN 0.699 nan 8.150 nan 0.000 0.459 232 K N -0.508 119.772 120.400 -0.200 0.000 2.435 232 K HA 0.680 5.000 4.320 0.000 0.000 0.251 232 K C -2.088 174.274 176.600 -0.397 0.000 0.954 232 K CA -0.253 55.949 56.287 -0.142 0.000 0.820 232 K CB 2.065 34.534 32.500 -0.052 0.000 1.292 232 K HN 0.453 nan 8.250 nan 0.000 0.436 233 F N 0.844 120.800 119.950 0.010 0.000 2.507 233 F HA 0.347 4.874 4.527 0.000 0.000 0.328 233 F C 0.089 175.873 175.800 -0.028 0.000 1.136 233 F CA -0.791 57.204 58.000 -0.007 0.000 0.930 233 F CB 1.927 40.924 39.000 -0.005 0.000 1.166 233 F HN 0.512 nan 8.300 nan 0.000 0.436 234 A N 5.907 128.803 122.820 0.126 0.000 2.395 234 A HA 0.602 4.922 4.320 0.000 0.000 0.286 234 A C -0.326 177.294 177.584 0.061 0.000 1.193 234 A CA -0.043 52.018 52.037 0.040 0.000 0.852 234 A CB -0.452 18.558 19.000 0.018 0.000 1.118 234 A HN 0.730 nan 8.150 nan 0.000 0.524 235 I N 3.011 123.507 120.570 -0.124 0.000 2.433 235 I HA 0.257 4.428 4.170 0.000 0.000 0.292 235 I C -0.255 175.717 176.117 -0.240 0.000 1.001 235 I CA -0.640 60.541 61.300 -0.198 0.000 1.119 235 I CB 1.893 39.580 38.000 -0.521 0.000 1.289 235 I HN 0.582 nan 8.210 nan 0.000 0.438 236 N N 5.955 124.611 118.700 -0.074 0.000 2.446 236 N HA 0.265 5.005 4.740 0.000 0.000 0.265 236 N C -1.178 174.350 175.510 0.031 0.000 0.975 236 N CA -0.525 52.512 53.050 -0.020 0.000 0.928 236 N CB 1.983 40.470 38.487 0.000 0.000 1.160 236 N HN 0.362 nan 8.380 nan 0.000 0.495 237 L N 5.185 126.460 121.223 0.087 0.000 2.449 237 L HA 0.312 4.652 4.340 0.000 0.000 0.255 237 L C 1.183 178.110 176.870 0.095 0.000 1.167 237 L CA 0.113 55.033 54.840 0.134 0.000 1.090 237 L CB -0.086 42.133 42.059 0.266 0.000 1.385 237 L HN 0.420 nan 8.230 nan 0.000 0.411 238 K N 1.765 122.203 120.400 0.064 0.000 2.148 238 K HA -0.019 4.301 4.320 0.000 0.000 0.204 238 K C 0.377 176.999 176.600 0.037 0.000 1.050 238 K CA 0.838 57.152 56.287 0.044 0.000 0.942 238 K CB 0.281 32.798 32.500 0.029 0.000 0.724 238 K HN 0.398 nan 8.250 nan 0.000 0.446 239 K N 0.426 120.847 120.400 0.035 0.000 2.557 239 K HA 0.251 4.571 4.320 0.000 0.000 0.261 239 K C -1.948 174.667 176.600 0.024 0.000 0.932 239 K CA -0.456 55.846 56.287 0.025 0.000 0.829 239 K CB 2.330 34.834 32.500 0.008 0.000 1.358 239 K HN -0.240 nan 8.250 nan 0.000 0.430 240 V N 2.685 122.619 119.914 0.034 0.000 2.531 240 V HA 0.465 4.585 4.120 0.000 0.000 0.301 240 V C -1.068 175.065 176.094 0.065 0.000 1.034 240 V CA -0.769 61.556 62.300 0.043 0.000 0.865 240 V CB 1.688 33.541 31.823 0.051 0.000 0.995 240 V HN 0.789 nan 8.190 nan 0.000 0.424 241 E N 3.264 123.522 120.200 0.097 0.000 2.272 241 E HA 0.542 4.892 4.350 0.000 0.000 0.269 241 E C -1.069 175.754 176.600 0.373 0.000 0.877 241 E CA -0.776 55.743 56.400 0.198 0.000 0.755 241 E CB 2.880 32.703 29.700 0.205 0.000 1.192 241 E HN 0.891 nan 8.360 nan 0.000 0.422 242 E N 2.517 122.889 120.200 0.288 0.000 2.235 242 E HA 0.482 4.832 4.350 0.000 0.000 0.265 242 E C -0.573 176.009 176.600 -0.031 0.000 0.940 242 E CA -1.063 55.458 56.400 0.200 0.000 0.819 242 E CB 1.637 31.376 29.700 0.066 0.000 1.206 242 E HN 0.244 nan 8.360 nan 0.000 0.409 243 R N 1.061 121.308 120.500 -0.421 0.000 2.491 243 R HA 0.092 4.432 4.340 0.000 0.000 0.283 243 R C -0.427 175.673 176.300 -0.333 0.000 1.072 243 R CA -0.231 55.452 56.100 -0.695 0.000 1.048 243 R CB 0.402 30.217 30.300 -0.809 0.000 0.983 243 R HN 0.541 nan 8.270 nan 0.000 0.450 244 E N 3.611 123.641 120.200 -0.283 0.000 2.183 244 E HA 0.140 4.490 4.350 0.000 0.000 0.250 244 E C -1.098 175.393 176.600 -0.182 0.000 0.901 244 E CA -0.802 55.493 56.400 -0.175 0.000 0.741 244 E CB 0.425 30.056 29.700 -0.114 0.000 1.182 244 E HN 0.259 nan 8.360 nan 0.000 0.425 245 L N 5.769 126.889 121.223 -0.172 0.000 2.525 245 L HA 0.197 4.537 4.340 0.000 0.000 0.278 245 L C -1.859 174.896 176.870 -0.191 0.000 1.218 245 L CA -0.860 53.878 54.840 -0.169 0.000 0.878 245 L CB -0.257 41.720 42.059 -0.136 0.000 1.127 245 L HN 0.562 nan 8.230 nan 0.000 0.492 246 P HA 0.139 nan 4.420 nan 0.000 0.272 246 P C -0.739 176.342 177.300 -0.365 0.000 1.240 246 P CA -0.514 62.361 63.100 -0.374 0.000 0.791 246 P CB 0.489 31.800 31.700 -0.648 0.000 0.978 247 E N 0.199 120.196 120.200 -0.338 0.000 2.343 247 E HA 0.178 4.529 4.350 0.000 0.000 0.269 247 E C -0.204 176.243 176.600 -0.255 0.000 1.047 247 E CA -0.491 55.775 56.400 -0.224 0.000 0.874 247 E CB 0.436 30.052 29.700 -0.140 0.000 1.033 247 E HN 0.339 nan 8.360 nan 0.000 0.409 248 L N 3.605 124.773 121.223 -0.090 0.000 2.583 248 L HA 0.088 4.428 4.340 0.000 0.000 0.239 248 L C 0.619 177.545 176.870 0.093 0.000 1.347 248 L CA -0.343 54.539 54.840 0.070 0.000 1.246 248 L CB -0.915 41.185 42.059 0.069 0.000 1.496 248 L HN 0.544 nan 8.230 nan 0.000 0.413 249 T N -3.337 111.274 114.554 0.094 0.000 2.874 249 T HA 0.463 4.813 4.350 0.000 0.000 0.281 249 T C 1.411 176.192 174.700 0.136 0.000 0.994 249 T CA -0.112 62.040 62.100 0.086 0.000 1.015 249 T CB 2.127 71.023 68.868 0.048 0.000 1.028 249 T HN 0.283 nan 8.240 nan 0.000 0.523 250 A N 1.028 123.897 122.820 0.081 0.000 1.859 250 A HA -0.158 4.162 4.320 0.000 0.000 0.217 250 A C 2.193 179.827 177.584 0.084 0.000 1.198 250 A CA 2.027 54.105 52.037 0.067 0.000 0.629 250 A CB -1.280 17.745 19.000 0.041 0.000 0.830 250 A HN 0.996 nan 8.150 nan 0.000 0.446 251 E N -1.626 118.628 120.200 0.090 0.000 2.171 251 E HA -0.228 4.122 4.350 0.000 0.000 0.197 251 E C 1.700 178.389 176.600 0.149 0.000 0.997 251 E CA 1.357 57.815 56.400 0.096 0.000 0.810 251 E CB -0.309 29.443 29.700 0.086 0.000 0.738 251 E HN 0.687 nan 8.360 nan 0.000 0.467 252 F N 1.885 121.839 119.950 0.006 0.000 1.999 252 F HA -0.202 4.325 4.527 0.000 0.000 0.293 252 F C 2.094 177.906 175.800 0.021 0.000 1.173 252 F CA 0.952 58.957 58.000 0.009 0.000 1.162 252 F CB -0.579 38.418 39.000 -0.005 0.000 0.981 252 F HN -0.161 nan 8.300 nan 0.000 0.479 253 I N 1.718 122.205 120.570 -0.137 0.000 2.504 253 I HA -0.527 3.643 4.170 0.000 0.000 0.230 253 I C 2.381 178.393 176.117 -0.175 0.000 0.933 253 I CA 2.661 63.828 61.300 -0.221 0.000 1.236 253 I CB -2.163 35.807 38.000 -0.049 0.000 0.947 253 I HN 0.450 nan 8.210 nan 0.000 0.390 254 K N 1.425 121.782 120.400 -0.072 0.000 2.248 254 K HA -0.357 3.963 4.320 0.000 0.000 0.216 254 K C 1.897 178.479 176.600 -0.031 0.000 0.902 254 K CA 2.982 59.249 56.287 -0.034 0.000 0.975 254 K CB -1.237 31.252 32.500 -0.018 0.000 1.016 254 K HN 0.347 nan 8.250 nan 0.000 0.508 255 R N -0.590 119.869 120.500 -0.069 0.000 2.295 255 R HA -0.186 4.154 4.340 0.000 0.000 0.265 255 R C 2.032 178.341 176.300 0.016 0.000 1.203 255 R CA 1.987 58.062 56.100 -0.043 0.000 1.023 255 R CB -0.525 29.724 30.300 -0.085 0.000 0.880 255 R HN 0.341 nan 8.270 nan 0.000 0.481 256 F N -0.582 119.280 119.950 -0.147 0.000 2.727 256 F HA 0.233 4.760 4.527 0.000 0.000 0.302 256 F C 1.228 176.986 175.800 -0.071 0.000 1.097 256 F CA 0.668 58.605 58.000 -0.105 0.000 1.330 256 F CB 1.012 39.944 39.000 -0.114 0.000 1.084 256 F HN 0.183 nan 8.300 nan 0.000 0.578 257 G N 0.754 109.578 108.800 0.040 0.000 2.207 257 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 257 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 257 G C -0.526 174.394 174.900 0.033 0.000 1.053 257 G CA 0.060 45.166 45.100 0.009 0.000 0.764 257 G HN 0.116 nan 8.290 nan 0.000 0.495 258 V N 1.906 121.842 119.914 0.037 0.000 2.266 258 V HA 0.281 4.401 4.120 0.000 0.000 0.266 258 V C 1.224 177.325 176.094 0.012 0.000 1.036 258 V CA -0.080 62.235 62.300 0.026 0.000 0.828 258 V CB 1.201 33.040 31.823 0.026 0.000 1.081 258 V HN 0.571 nan 8.190 nan 0.000 0.449 259 E N 2.173 122.379 120.200 0.009 0.000 2.495 259 E HA -0.136 4.214 4.350 0.000 0.000 0.204 259 E C -0.076 176.529 176.600 0.007 0.000 1.163 259 E CA 0.600 57.004 56.400 0.006 0.000 0.922 259 E CB -0.043 29.660 29.700 0.005 0.000 0.918 259 E HN 0.853 nan 8.360 nan 0.000 0.537 260 D N -0.770 119.635 120.400 0.008 0.000 2.992 260 D HA 0.145 4.785 4.640 0.000 0.000 0.372 260 D C 1.062 177.367 176.300 0.009 0.000 1.374 260 D CA -0.081 53.923 54.000 0.008 0.000 0.769 260 D CB -0.249 40.555 40.800 0.006 0.000 1.215 260 D HN 0.061 nan 8.370 nan 0.000 0.473 261 G N 2.600 111.407 108.800 0.011 0.000 3.130 261 G HA2 -0.500 3.460 3.960 0.000 0.000 0.309 261 G HA3 -0.500 3.460 3.960 0.000 0.000 0.309 261 G C 0.622 175.528 174.900 0.010 0.000 1.284 261 G CA 2.573 47.682 45.100 0.015 0.000 1.295 261 G HN 1.548 nan 8.290 nan 0.000 1.019 262 S N -1.087 114.619 115.700 0.010 0.000 4.488 262 S HA -0.115 4.355 4.470 0.000 0.000 0.231 262 S C 1.195 175.794 174.600 -0.002 0.000 0.639 262 S CA 0.873 59.075 58.200 0.004 0.000 1.265 262 S CB -0.888 62.312 63.200 0.001 0.000 2.200 262 S HN 1.640 nan 8.310 nan 0.000 0.336 263 V N 3.536 123.451 119.914 0.000 0.000 2.236 263 V HA -0.300 3.820 4.120 0.000 0.000 0.255 263 V C 2.782 178.863 176.094 -0.021 0.000 1.068 263 V CA 2.519 64.814 62.300 -0.008 0.000 1.044 263 V CB -0.943 30.876 31.823 -0.006 0.000 0.653 263 V HN 1.038 nan 8.190 nan 0.000 0.448 264 E N -0.020 120.169 120.200 -0.018 0.000 2.284 264 E HA -0.240 4.111 4.350 0.000 0.000 0.200 264 E C 2.147 178.734 176.600 -0.022 0.000 1.008 264 E CA 1.494 57.882 56.400 -0.021 0.000 0.829 264 E CB -0.351 29.339 29.700 -0.016 0.000 0.744 264 E HN 0.673 nan 8.360 nan 0.000 0.491 265 G N 1.063 109.852 108.800 -0.018 0.000 2.394 265 G HA2 -0.194 3.766 3.960 0.000 0.000 0.215 265 G HA3 -0.194 3.766 3.960 0.000 0.000 0.215 265 G C 1.615 176.502 174.900 -0.022 0.000 1.165 265 G CA 0.287 45.379 45.100 -0.014 0.000 0.784 265 G HN 0.276 nan 8.290 nan 0.000 0.535 266 L N 0.047 121.243 121.223 -0.044 0.000 2.093 266 L HA 0.094 4.434 4.340 0.000 0.000 0.208 266 L C 2.922 179.728 176.870 -0.106 0.000 1.085 266 L CA 1.062 55.847 54.840 -0.092 0.000 0.755 266 L CB -0.169 41.805 42.059 -0.142 0.000 0.904 266 L HN 0.223 nan 8.230 nan 0.000 0.435 267 R N -0.208 120.245 120.500 -0.079 0.000 2.120 267 R HA -0.178 4.162 4.340 0.000 0.000 0.234 267 R C 2.082 178.347 176.300 -0.058 0.000 1.123 267 R CA 1.379 57.434 56.100 -0.075 0.000 0.975 267 R CB -0.207 30.059 30.300 -0.056 0.000 0.866 267 R HN 0.442 nan 8.270 nan 0.000 0.446 268 A N 0.319 123.116 122.820 -0.038 0.000 1.968 268 A HA -0.140 4.180 4.320 0.000 0.000 0.217 268 A C 1.924 179.503 177.584 -0.010 0.000 1.169 268 A CA 1.405 53.428 52.037 -0.024 0.000 0.638 268 A CB -0.304 18.687 19.000 -0.015 0.000 0.812 268 A HN 0.470 nan 8.150 nan 0.000 0.446 269 E N 0.020 120.224 120.200 0.006 0.000 2.046 269 E HA -0.096 4.254 4.350 0.000 0.000 0.190 269 E C 1.766 178.401 176.600 0.058 0.000 0.982 269 E CA 1.505 57.939 56.400 0.056 0.000 0.800 269 E CB -0.364 29.413 29.700 0.129 0.000 0.756 269 E HN 0.198 nan 8.360 nan 0.000 0.449 270 V N 1.256 121.173 119.914 0.005 0.000 2.380 270 V HA -0.274 3.846 4.120 0.000 0.000 0.251 270 V C 2.638 178.714 176.094 -0.031 0.000 1.063 270 V CA 2.300 64.589 62.300 -0.017 0.000 1.055 270 V CB -0.652 31.101 31.823 -0.118 0.000 0.657 270 V HN 0.300 nan 8.190 nan 0.000 0.455 271 R N 0.178 120.646 120.500 -0.053 0.000 2.062 271 R HA -0.125 4.215 4.340 0.000 0.000 0.229 271 R C 2.435 178.701 176.300 -0.058 0.000 1.128 271 R CA 1.385 57.436 56.100 -0.081 0.000 0.960 271 R CB -0.162 30.091 30.300 -0.079 0.000 0.855 271 R HN 0.456 nan 8.270 nan 0.000 0.432 272 K N 0.516 120.902 120.400 -0.022 0.000 2.044 272 K HA -0.126 4.194 4.320 0.000 0.000 0.210 272 K C 0.864 177.467 176.600 0.006 0.000 1.049 272 K CA 1.091 57.374 56.287 -0.006 0.000 0.927 272 K CB -0.336 32.170 32.500 0.009 0.000 0.713 272 K HN 0.225 nan 8.250 nan 0.000 0.443 276 R N 1.551 122.079 120.500 0.047 0.000 2.066 276 R HA -0.025 4.315 4.340 0.000 0.000 0.232 276 R C 1.933 178.285 176.300 0.088 0.000 1.131 276 R CA 1.201 57.334 56.100 0.056 0.000 0.955 276 R CB -0.036 30.291 30.300 0.045 0.000 0.851 276 R HN 0.104 nan 8.270 nan 0.000 0.432 277 E N 0.958 121.234 120.200 0.127 0.000 2.070 277 E HA -0.224 4.126 4.350 0.000 0.000 0.197 277 E C 2.024 178.739 176.600 0.191 0.000 1.004 277 E CA 1.059 57.557 56.400 0.164 0.000 0.805 277 E CB -0.271 29.578 29.700 0.249 0.000 0.744 277 E HN 0.124 nan 8.360 nan 0.000 0.451 278 L N 1.883 123.290 121.223 0.307 0.000 2.046 278 L HA -0.158 4.182 4.340 0.000 0.000 0.208 278 L C 2.313 179.270 176.870 0.144 0.000 1.077 278 L CA 1.900 56.925 54.840 0.309 0.000 0.747 278 L CB -0.616 41.669 42.059 0.377 0.000 0.896 278 L HN -0.015 nan 8.230 nan 0.000 0.432 279 K N -1.111 119.352 120.400 0.105 0.000 1.991 279 K HA -0.214 4.106 4.320 0.000 0.000 0.212 279 K C 2.306 178.937 176.600 0.052 0.000 1.049 279 K CA 1.833 58.158 56.287 0.064 0.000 0.932 279 K CB -0.459 32.070 32.500 0.048 0.000 0.717 279 K HN 0.392 nan 8.250 nan 0.000 0.441 280 S N -0.006 115.726 115.700 0.052 0.000 2.359 280 S HA -0.201 4.269 4.470 0.000 0.000 0.223 280 S C 1.988 176.607 174.600 0.031 0.000 1.039 280 S CA 1.556 59.779 58.200 0.038 0.000 1.042 280 S CB -0.494 62.730 63.200 0.039 0.000 0.915 280 S HN 0.516 nan 8.310 nan 0.000 0.439 281 A N 1.649 124.489 122.820 0.033 0.000 1.859 281 A HA -0.130 4.190 4.320 0.000 0.000 0.217 281 A C 2.132 179.724 177.584 0.014 0.000 1.198 281 A CA 1.946 53.990 52.037 0.012 0.000 0.629 281 A CB -1.098 17.898 19.000 -0.006 0.000 0.830 281 A HN 0.633 nan 8.150 nan 0.000 0.446 282 I N -1.073 119.513 120.570 0.028 0.000 2.151 282 I HA -0.318 3.852 4.170 0.000 0.000 0.243 282 I C 2.786 178.915 176.117 0.019 0.000 1.080 282 I CA 1.989 63.304 61.300 0.025 0.000 1.339 282 I CB -0.407 37.615 38.000 0.036 0.000 1.039 282 I HN 0.404 nan 8.210 nan 0.000 0.409 283 R N 0.993 121.505 120.500 0.021 0.000 2.081 283 R HA -0.180 4.160 4.340 0.000 0.000 0.235 283 R C 2.086 178.394 176.300 0.014 0.000 1.131 283 R CA 1.695 57.805 56.100 0.017 0.000 0.960 283 R CB -0.166 30.144 30.300 0.017 0.000 0.856 283 R HN 0.426 nan 8.270 nan 0.000 0.436 284 N N 0.678 119.386 118.700 0.013 0.000 2.080 284 N HA -0.185 4.555 4.740 0.000 0.000 0.189 284 N C 1.809 177.324 175.510 0.008 0.000 1.036 284 N CA 1.089 54.145 53.050 0.010 0.000 0.846 284 N CB -0.476 38.016 38.487 0.009 0.000 1.015 284 N HN 0.116 nan 8.380 nan 0.000 0.423 285 R N 1.528 122.031 120.500 0.006 0.000 2.139 285 R HA -0.024 4.316 4.340 0.000 0.000 0.243 285 R C 1.702 178.006 176.300 0.006 0.000 1.145 285 R CA 1.133 57.235 56.100 0.004 0.000 0.976 285 R CB -0.792 29.508 30.300 0.001 0.000 0.866 285 R HN 0.088 nan 8.270 nan 0.000 0.449 286 V N 0.412 120.331 119.914 0.009 0.000 2.446 286 V HA -0.041 4.079 4.120 0.000 0.000 0.244 286 V C 2.386 178.485 176.094 0.009 0.000 1.039 286 V CA 1.754 64.060 62.300 0.009 0.000 1.045 286 V CB -0.475 31.354 31.823 0.010 0.000 0.681 286 V HN 0.363 nan 8.190 nan 0.000 0.459 287 K N 1.068 121.473 120.400 0.009 0.000 2.002 287 K HA -0.207 4.113 4.320 0.000 0.000 0.209 287 K C 2.476 179.081 176.600 0.010 0.000 1.048 287 K CA 1.973 58.266 56.287 0.010 0.000 0.930 287 K CB -0.287 32.219 32.500 0.011 0.000 0.714 287 K HN 0.592 nan 8.250 nan 0.000 0.438 288 S N 0.812 116.518 115.700 0.010 0.000 2.359 288 S HA -0.294 4.176 4.470 0.000 0.000 0.222 288 S C 2.064 176.669 174.600 0.009 0.000 1.038 288 S CA 1.612 59.818 58.200 0.010 0.000 1.051 288 S CB -0.812 62.393 63.200 0.009 0.000 0.944 288 S HN 0.446 nan 8.310 nan 0.000 0.433 289 Q N 1.464 121.269 119.800 0.008 0.000 2.112 289 Q HA -0.132 4.208 4.340 0.000 0.000 0.206 289 Q C 2.677 178.682 176.000 0.008 0.000 0.987 289 Q CA 1.659 57.467 55.803 0.008 0.000 0.858 289 Q CB -0.711 28.031 28.738 0.007 0.000 0.905 289 Q HN 0.788 nan 8.270 nan 0.000 0.420 290 A N 0.821 123.646 122.820 0.008 0.000 1.865 290 A HA -0.211 4.109 4.320 0.000 0.000 0.217 290 A C 2.038 179.627 177.584 0.009 0.000 1.191 290 A CA 1.428 53.470 52.037 0.008 0.000 0.623 290 A CB -0.717 18.288 19.000 0.008 0.000 0.826 290 A HN 0.327 nan 8.150 nan 0.000 0.444 291 I N -0.823 119.753 120.570 0.010 0.000 2.142 291 I HA -0.256 3.914 4.170 0.000 0.000 0.240 291 I C 2.592 178.716 176.117 0.012 0.000 1.078 291 I CA 1.812 63.119 61.300 0.012 0.000 1.343 291 I CB -0.360 37.648 38.000 0.013 0.000 1.046 291 I HN 0.468 nan 8.210 nan 0.000 0.405 292 E N 1.529 121.736 120.200 0.012 0.000 2.035 292 E HA -0.230 4.120 4.350 0.000 0.000 0.204 292 E C 2.137 178.743 176.600 0.011 0.000 1.025 292 E CA 2.157 58.564 56.400 0.012 0.000 0.835 292 E CB -0.833 28.874 29.700 0.010 0.000 0.764 292 E HN 0.400 nan 8.360 nan 0.000 0.457 293 G N 0.335 109.141 108.800 0.010 0.000 2.448 293 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 293 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 293 G C 1.513 176.419 174.900 0.009 0.000 1.127 293 G CA 0.924 46.029 45.100 0.009 0.000 0.766 293 G HN 0.350 nan 8.290 nan 0.000 0.552 294 L N 0.813 122.042 121.223 0.010 0.000 2.046 294 L HA -0.011 4.330 4.340 0.000 0.000 0.208 294 L C 2.832 179.709 176.870 0.012 0.000 1.077 294 L CA 1.495 56.341 54.840 0.010 0.000 0.747 294 L CB -0.646 41.419 42.059 0.010 0.000 0.896 294 L HN 0.084 nan 8.230 nan 0.000 0.432 295 V N 0.187 120.109 119.914 0.013 0.000 2.229 295 V HA -0.313 3.807 4.120 0.000 0.000 0.243 295 V C 2.610 178.712 176.094 0.014 0.000 1.042 295 V CA 2.167 64.476 62.300 0.015 0.000 1.000 295 V CB -0.791 31.042 31.823 0.017 0.000 0.637 295 V HN 0.573 nan 8.190 nan 0.000 0.446 296 K N 0.468 120.875 120.400 0.012 0.000 2.144 296 K HA -0.253 4.067 4.320 0.000 0.000 0.209 296 K C 1.885 178.491 176.600 0.010 0.000 1.047 296 K CA 1.926 58.220 56.287 0.011 0.000 0.927 296 K CB -0.330 32.176 32.500 0.010 0.000 0.716 296 K HN 0.466 nan 8.250 nan 0.000 0.454 297 A N 0.280 123.106 122.820 0.010 0.000 2.167 297 A HA 0.001 4.321 4.320 0.000 0.000 0.214 297 A C -0.088 177.502 177.584 0.010 0.000 1.151 297 A CA 0.724 52.766 52.037 0.009 0.000 0.735 297 A CB -0.006 18.998 19.000 0.008 0.000 0.802 297 A HN 0.451 nan 8.150 nan 0.000 0.467 298 N N 1.054 119.761 118.700 0.012 0.000 2.726 298 N HA 0.200 4.940 4.740 0.000 0.000 0.253 298 N C -1.960 173.559 175.510 0.016 0.000 1.530 298 N CA -0.405 52.653 53.050 0.013 0.000 0.772 298 N CB 0.851 39.346 38.487 0.014 0.000 1.220 298 N HN 0.039 nan 8.380 nan 0.000 0.508 299 D N 2.007 122.416 120.400 0.015 0.000 2.344 299 D HA 0.185 4.825 4.640 0.000 0.000 0.253 299 D C 0.304 176.614 176.300 0.017 0.000 1.255 299 D CA 0.075 54.085 54.000 0.016 0.000 0.894 299 D CB 0.753 41.561 40.800 0.013 0.000 1.067 299 D HN 0.493 nan 8.370 nan 0.000 0.492 300 I N -1.496 119.087 120.570 0.021 0.000 2.693 300 I HA 0.448 4.618 4.170 0.000 0.000 0.303 300 I C -0.139 175.994 176.117 0.025 0.000 1.025 300 I CA -1.022 60.292 61.300 0.024 0.000 1.086 300 I CB 2.275 40.293 38.000 0.030 0.000 1.268 300 I HN -0.144 nan 8.210 nan 0.000 0.440 301 D N 4.173 124.587 120.400 0.023 0.000 2.390 301 D HA 0.314 4.954 4.640 0.000 0.000 0.249 301 D C -0.252 176.065 176.300 0.028 0.000 1.144 301 D CA 0.225 54.237 54.000 0.020 0.000 0.880 301 D CB 2.206 43.014 40.800 0.013 0.000 1.182 301 D HN 0.517 nan 8.370 nan 0.000 0.451 302 V N 0.148 120.078 119.914 0.026 0.000 2.680 302 V HA 0.524 4.644 4.120 0.000 0.000 0.309 302 V C -2.600 173.502 176.094 0.013 0.000 1.052 302 V CA -2.197 60.123 62.300 0.033 0.000 0.908 302 V CB 1.896 33.745 31.823 0.044 0.000 1.001 302 V HN 0.303 nan 8.190 nan 0.000 0.431 303 P HA 0.062 nan 4.420 nan 0.000 0.261 303 P C 0.875 178.162 177.300 -0.021 0.000 1.183 303 P CA 0.745 63.824 63.100 -0.035 0.000 0.761 303 P CB 1.197 32.832 31.700 -0.109 0.000 0.785 304 A N 5.130 127.941 122.820 -0.015 0.000 1.883 304 A HA -0.175 4.145 4.320 0.000 0.000 0.217 304 A C 2.299 179.880 177.584 -0.004 0.000 1.186 304 A CA 2.229 54.264 52.037 -0.004 0.000 0.624 304 A CB -1.437 17.561 19.000 -0.003 0.000 0.822 304 A HN 0.575 nan 8.150 nan 0.000 0.444 305 A N -0.076 122.736 122.820 -0.013 0.000 1.884 305 A HA -0.210 4.110 4.320 0.000 0.000 0.219 305 A C 2.204 179.783 177.584 -0.009 0.000 1.197 305 A CA 1.873 53.903 52.037 -0.011 0.000 0.637 305 A CB -0.834 18.153 19.000 -0.021 0.000 0.827 305 A HN 0.522 nan 8.150 nan 0.000 0.450 306 L N -0.748 120.463 121.223 -0.020 0.000 2.042 306 L HA -0.209 4.131 4.340 0.000 0.000 0.210 306 L C 2.560 179.441 176.870 0.018 0.000 1.076 306 L CA 1.495 56.339 54.840 0.005 0.000 0.749 306 L CB -0.603 41.466 42.059 0.017 0.000 0.893 306 L HN 0.419 nan 8.230 nan 0.000 0.432 307 I N -0.308 120.273 120.570 0.018 0.000 2.226 307 I HA -0.298 3.872 4.170 0.000 0.000 0.245 307 I C 2.110 178.241 176.117 0.023 0.000 1.100 307 I CA 1.276 62.591 61.300 0.026 0.000 1.374 307 I CB -0.424 37.592 38.000 0.028 0.000 1.057 307 I HN 0.320 nan 8.210 nan 0.000 0.413 308 D N 0.606 121.016 120.400 0.017 0.000 2.103 308 D HA -0.103 4.537 4.640 0.000 0.000 0.199 308 D C 2.327 178.628 176.300 0.001 0.000 0.978 308 D CA 1.779 55.788 54.000 0.015 0.000 0.829 308 D CB -0.137 40.672 40.800 0.015 0.000 0.981 308 D HN 0.329 nan 8.370 nan 0.000 0.464 309 S N 0.588 116.289 115.700 0.002 0.000 2.469 309 S HA -0.167 4.303 4.470 0.000 0.000 0.238 309 S C 1.756 176.347 174.600 -0.015 0.000 0.998 309 S CA 0.955 59.152 58.200 -0.004 0.000 0.957 309 S CB 0.033 63.236 63.200 0.006 0.000 0.764 309 S HN 0.085 nan 8.310 nan 0.000 0.514 310 E N 2.112 122.306 120.200 -0.010 0.000 2.140 310 E HA 0.083 4.433 4.350 0.000 0.000 0.191 310 E C 1.883 178.449 176.600 -0.057 0.000 0.973 310 E CA 0.880 57.268 56.400 -0.019 0.000 0.829 310 E CB -0.439 29.266 29.700 0.008 0.000 0.781 310 E HN 0.748 nan 8.360 nan 0.000 0.466 311 I N -1.269 119.273 120.570 -0.046 0.000 2.493 311 I HA -0.128 4.042 4.170 0.000 0.000 0.254 311 I C 1.093 177.057 176.117 -0.255 0.000 1.160 311 I CA 1.620 62.858 61.300 -0.103 0.000 1.445 311 I CB -0.134 37.886 38.000 0.033 0.000 1.086 311 I HN -0.116 nan 8.210 nan 0.000 0.433 312 D N 1.438 121.749 120.400 -0.148 0.000 2.103 312 D HA -0.106 4.534 4.640 0.000 0.000 0.199 312 D C 2.367 178.557 176.300 -0.183 0.000 0.978 312 D CA 1.503 55.411 54.000 -0.153 0.000 0.829 312 D CB -0.111 40.644 40.800 -0.075 0.000 0.981 312 D HN 0.208 nan 8.370 nan 0.000 0.464 313 V N 0.604 120.438 119.914 -0.134 0.000 2.568 313 V HA -0.180 3.940 4.120 0.000 0.000 0.253 313 V C 2.069 178.066 176.094 -0.161 0.000 1.072 313 V CA 1.010 63.242 62.300 -0.113 0.000 1.084 313 V CB -0.218 31.567 31.823 -0.064 0.000 0.676 313 V HN 0.200 nan 8.190 nan 0.000 0.469 314 L N 0.283 121.356 121.223 -0.251 0.000 2.209 314 L HA 0.003 4.343 4.340 0.000 0.000 0.207 314 L C 2.616 179.153 176.870 -0.555 0.000 1.094 314 L CA 1.540 56.188 54.840 -0.320 0.000 0.790 314 L CB -0.548 41.339 42.059 -0.287 0.000 0.932 314 L HN 0.385 nan 8.230 nan 0.000 0.447 315 R N -1.497 118.525 120.500 -0.798 0.000 2.161 315 R HA 0.001 4.341 4.340 0.000 0.000 0.213 315 R C 2.132 178.271 176.300 -0.269 0.000 1.055 315 R CA 0.433 56.105 56.100 -0.713 0.000 0.996 315 R CB -0.531 29.377 30.300 -0.653 0.000 0.901 315 R HN 0.197 nan 8.270 nan 0.000 0.456 316 R N 1.439 121.808 120.500 -0.219 0.000 2.083 316 R HA -0.153 4.187 4.340 0.000 0.000 0.237 316 R C 2.403 178.629 176.300 -0.123 0.000 1.137 316 R CA 2.304 58.322 56.100 -0.135 0.000 0.951 316 R CB -0.279 29.957 30.300 -0.105 0.000 0.851 316 R HN 0.463 nan 8.270 nan 0.000 0.434 317 Q N 0.128 119.858 119.800 -0.116 0.000 1.990 317 Q HA -0.049 4.291 4.340 0.000 0.000 0.200 317 Q C 2.306 178.263 176.000 -0.073 0.000 0.980 317 Q CA 1.272 57.028 55.803 -0.079 0.000 0.832 317 Q CB -0.302 28.406 28.738 -0.051 0.000 0.897 317 Q HN 0.331 nan 8.270 nan 0.000 0.427 318 A N 1.436 124.234 122.820 -0.036 0.000 2.054 318 A HA -0.253 4.067 4.320 0.000 0.000 0.223 318 A C 2.225 179.774 177.584 -0.060 0.000 1.169 318 A CA 1.937 54.021 52.037 0.077 0.000 0.655 318 A CB -0.778 18.406 19.000 0.308 0.000 0.812 318 A HN 0.444 nan 8.150 nan 0.000 0.462 319 A N -0.915 121.802 122.820 -0.171 0.000 1.835 319 A HA -0.076 4.244 4.320 0.000 0.000 0.213 319 A C 1.888 179.143 177.584 -0.548 0.000 1.210 319 A CA 1.156 52.966 52.037 -0.379 0.000 0.605 319 A CB -0.579 18.299 19.000 -0.204 0.000 0.860 319 A HN 0.558 nan 8.150 nan 0.000 0.447 320 Q N -0.706 118.919 119.800 -0.291 0.000 2.591 320 Q HA -0.088 4.252 4.340 0.000 0.000 0.219 320 Q C 1.606 177.496 176.000 -0.184 0.000 0.981 320 Q CA 0.704 56.375 55.803 -0.220 0.000 0.945 320 Q CB -0.163 28.502 28.738 -0.121 0.000 0.985 320 Q HN 0.503 nan 8.270 nan 0.000 0.542 321 R N 0.493 120.857 120.500 -0.228 0.000 2.275 321 R HA -0.082 4.258 4.340 0.000 0.000 0.199 321 R C 0.365 176.705 176.300 0.066 0.000 0.989 321 R CA 0.793 56.863 56.100 -0.050 0.000 1.016 321 R CB 0.242 30.568 30.300 0.043 0.000 0.918 321 R HN 0.308 nan 8.270 nan 0.000 0.473 322 F N -3.291 116.675 119.950 0.026 0.000 2.779 322 F HA 0.563 5.090 4.527 0.000 0.000 0.345 322 F C -0.105 175.707 175.800 0.020 0.000 1.270 322 F CA -0.515 57.498 58.000 0.022 0.000 1.074 322 F CB 0.452 39.467 39.000 0.025 0.000 1.268 322 F HN 0.081 nan 8.300 nan 0.000 0.508 323 G N 0.240 108.984 108.800 -0.093 0.000 3.238 323 G HA2 0.447 4.407 3.960 0.000 0.000 0.684 323 G HA3 0.447 4.407 3.960 0.000 0.000 0.684 323 G C -0.411 174.380 174.900 -0.181 0.000 1.156 323 G CA -0.359 44.711 45.100 -0.050 0.000 1.048 323 G HN 1.346 nan 8.290 nan 0.000 0.462 324 G N 0.947 109.647 108.800 -0.166 0.000 2.690 324 G HA2 0.943 4.903 3.960 0.000 0.000 0.293 324 G HA3 0.943 4.903 3.960 0.000 0.000 0.293 324 G C -0.590 174.258 174.900 -0.086 0.000 1.399 324 G CA -0.002 45.000 45.100 -0.163 0.000 0.890 324 G HN 1.516 nan 8.290 nan 0.000 0.485 325 N N -1.851 116.813 118.700 -0.061 0.000 2.577 325 N HA 0.372 5.112 4.740 0.000 0.000 0.285 325 N C 0.931 176.420 175.510 -0.035 0.000 1.309 325 N CA -0.353 52.675 53.050 -0.037 0.000 0.798 325 N CB 1.582 40.059 38.487 -0.018 0.000 1.463 325 N HN 0.626 nan 8.380 nan 0.000 0.518 326 E N 0.594 120.778 120.200 -0.026 0.000 2.070 326 E HA -0.302 4.048 4.350 0.000 0.000 0.197 326 E C 0.857 177.447 176.600 -0.017 0.000 1.004 326 E CA 1.351 57.736 56.400 -0.024 0.000 0.805 326 E CB -0.273 29.417 29.700 -0.016 0.000 0.744 326 E HN 0.598 nan 8.360 nan 0.000 0.451 327 K N 0.357 120.751 120.400 -0.009 0.000 2.113 327 K HA -0.161 4.159 4.320 0.000 0.000 0.208 327 K C 2.153 178.755 176.600 0.004 0.000 1.047 327 K CA 1.507 57.794 56.287 0.000 0.000 0.928 327 K CB -0.156 32.347 32.500 0.005 0.000 0.716 327 K HN 0.166 nan 8.250 nan 0.000 0.446 328 Q N 0.429 120.228 119.800 -0.001 0.000 2.591 328 Q HA -0.035 4.305 4.340 0.000 0.000 0.219 328 Q C 1.432 177.436 176.000 0.007 0.000 0.981 328 Q CA 0.642 56.450 55.803 0.007 0.000 0.945 328 Q CB -0.341 28.388 28.738 -0.015 0.000 0.985 328 Q HN 0.347 nan 8.270 nan 0.000 0.542 329 A N 1.287 124.104 122.820 -0.005 0.000 2.279 329 A HA -0.167 4.153 4.320 0.000 0.000 0.190 329 A C 1.822 179.415 177.584 0.014 0.000 1.210 329 A CA 1.083 53.111 52.037 -0.014 0.000 0.768 329 A CB -0.966 18.023 19.000 -0.018 0.000 0.887 329 A HN 0.371 nan 8.150 nan 0.000 0.530 330 L N -0.129 121.106 121.223 0.020 0.000 2.447 330 L HA -0.147 4.193 4.340 0.000 0.000 0.225 330 L C 2.055 178.963 176.870 0.064 0.000 1.148 330 L CA 1.825 56.691 54.840 0.042 0.000 0.808 330 L CB -0.680 41.398 42.059 0.032 0.000 0.928 330 L HN 0.473 nan 8.230 nan 0.000 0.448 331 E N -0.188 120.047 120.200 0.059 0.000 2.130 331 E HA -0.154 4.196 4.350 0.000 0.000 0.196 331 E C 0.581 177.242 176.600 0.102 0.000 0.998 331 E CA 0.784 57.225 56.400 0.068 0.000 0.806 331 E CB -0.356 29.380 29.700 0.061 0.000 0.738 331 E HN 0.320 nan 8.360 nan 0.000 0.459 332 L N 3.110 124.423 121.223 0.150 0.000 2.278 332 L HA 0.157 4.497 4.340 0.000 0.000 0.287 332 L C -2.058 174.962 176.870 0.249 0.000 1.072 332 L CA -1.716 53.264 54.840 0.235 0.000 0.819 332 L CB 0.338 42.650 42.059 0.423 0.000 1.176 332 L HN -0.136 nan 8.230 nan 0.000 0.435 333 P HA -0.071 nan 4.420 nan 0.000 0.260 333 P C 0.614 178.011 177.300 0.162 0.000 1.172 333 P CA -0.030 63.133 63.100 0.105 0.000 0.760 333 P CB 0.522 32.242 31.700 0.033 0.000 0.773 334 R N 4.914 125.516 120.500 0.171 0.000 2.119 334 R HA -0.234 4.106 4.340 0.000 0.000 0.246 334 R C 1.949 178.342 176.300 0.154 0.000 1.146 334 R CA 2.449 58.673 56.100 0.207 0.000 0.962 334 R CB -0.550 29.822 30.300 0.120 0.000 0.863 334 R HN 0.559 nan 8.270 nan 0.000 0.442 335 E N 0.265 120.502 120.200 0.062 0.000 2.219 335 E HA -0.227 4.123 4.350 0.000 0.000 0.198 335 E C 1.559 178.123 176.600 -0.060 0.000 0.998 335 E CA 1.075 57.482 56.400 0.011 0.000 0.818 335 E CB -0.398 29.299 29.700 -0.006 0.000 0.741 335 E HN 0.365 nan 8.360 nan 0.000 0.477 336 L N -0.204 120.910 121.223 -0.181 0.000 2.660 336 L HA 0.171 4.511 4.340 0.000 0.000 0.238 336 L C 0.111 176.521 176.870 -0.767 0.000 1.161 336 L CA 0.853 55.411 54.840 -0.469 0.000 0.937 336 L CB -0.115 41.569 42.059 -0.623 0.000 1.122 336 L HN 0.100 nan 8.230 nan 0.000 0.435 337 F N -2.949 117.014 119.950 0.023 0.000 2.828 337 F HA 0.142 4.669 4.527 0.000 0.000 0.368 337 F C 1.851 177.663 175.800 0.019 0.000 0.877 337 F CA -0.367 57.647 58.000 0.022 0.000 1.071 337 F CB -0.031 38.983 39.000 0.022 0.000 1.006 337 F HN -0.070 nan 8.300 nan 0.000 0.598 338 E N 1.543 121.853 120.200 0.183 0.000 2.072 338 E HA -0.326 4.024 4.350 0.000 0.000 0.218 338 E C 1.602 178.255 176.600 0.089 0.000 1.051 338 E CA 2.437 58.904 56.400 0.113 0.000 0.880 338 E CB -0.393 29.350 29.700 0.070 0.000 0.783 338 E HN 0.484 nan 8.360 nan 0.000 0.473 339 E N 0.592 120.831 120.200 0.066 0.000 2.072 339 E HA -0.340 4.010 4.350 0.000 0.000 0.218 339 E C 2.260 178.898 176.600 0.063 0.000 1.051 339 E CA 1.988 58.419 56.400 0.051 0.000 0.880 339 E CB -0.263 29.457 29.700 0.034 0.000 0.783 339 E HN 0.275 nan 8.360 nan 0.000 0.473 340 Q N 0.231 120.080 119.800 0.083 0.000 2.061 340 Q HA -0.252 4.088 4.340 0.000 0.000 0.204 340 Q C 2.173 178.222 176.000 0.082 0.000 0.984 340 Q CA 1.708 57.564 55.803 0.088 0.000 0.846 340 Q CB -0.199 28.612 28.738 0.123 0.000 0.902 340 Q HN 0.311 nan 8.270 nan 0.000 0.421 341 A N 1.246 124.126 122.820 0.099 0.000 1.849 341 A HA -0.294 4.026 4.320 0.000 0.000 0.217 341 A C 2.024 179.642 177.584 0.056 0.000 1.202 341 A CA 2.171 54.250 52.037 0.071 0.000 0.629 341 A CB -0.871 18.174 19.000 0.075 0.000 0.834 341 A HN 0.394 nan 8.150 nan 0.000 0.447 342 K N -0.055 120.379 120.400 0.056 0.000 2.052 342 K HA -0.269 4.051 4.320 0.000 0.000 0.215 342 K C 2.061 178.687 176.600 0.043 0.000 1.053 342 K CA 2.436 58.750 56.287 0.046 0.000 0.934 342 K CB -0.452 32.073 32.500 0.042 0.000 0.717 342 K HN 0.314 nan 8.250 nan 0.000 0.450 343 R N 0.794 121.320 120.500 0.043 0.000 2.103 343 R HA -0.042 4.298 4.340 0.000 0.000 0.234 343 R C 2.282 178.606 176.300 0.039 0.000 1.132 343 R CA 2.317 58.440 56.100 0.038 0.000 0.925 343 R CB -0.776 29.547 30.300 0.038 0.000 0.842 343 R HN 0.364 nan 8.270 nan 0.000 0.430 344 R N -0.748 119.776 120.500 0.041 0.000 2.159 344 R HA -0.191 4.149 4.340 0.000 0.000 0.249 344 R C 2.224 178.548 176.300 0.040 0.000 1.136 344 R CA 2.149 58.272 56.100 0.038 0.000 0.951 344 R CB -0.912 29.410 30.300 0.038 0.000 0.876 344 R HN 0.150 nan 8.270 nan 0.000 0.440 345 V N 0.418 120.359 119.914 0.045 0.000 2.407 345 V HA -0.209 3.911 4.120 0.000 0.000 0.248 345 V C 2.319 178.447 176.094 0.057 0.000 1.055 345 V CA 1.636 63.969 62.300 0.056 0.000 1.049 345 V CB -0.315 31.543 31.823 0.058 0.000 0.662 345 V HN 0.158 nan 8.190 nan 0.000 0.455 346 V N -0.271 119.671 119.914 0.047 0.000 2.261 346 V HA -0.228 3.892 4.120 0.000 0.000 0.246 346 V C 2.430 178.546 176.094 0.037 0.000 1.047 346 V CA 1.977 64.303 62.300 0.043 0.000 1.015 346 V CB -0.693 31.152 31.823 0.035 0.000 0.642 346 V HN 0.393 nan 8.190 nan 0.000 0.446 347 V N 1.268 121.201 119.914 0.032 0.000 2.282 347 V HA -0.256 3.864 4.120 0.000 0.000 0.249 347 V C 2.715 178.823 176.094 0.024 0.000 1.057 347 V CA 2.426 64.741 62.300 0.026 0.000 1.032 347 V CB -1.652 30.186 31.823 0.024 0.000 0.645 347 V HN 0.624 nan 8.190 nan 0.000 0.447 348 G N -0.364 108.454 108.800 0.029 0.000 2.469 348 G HA2 -0.241 3.719 3.960 0.000 0.000 0.219 348 G HA3 -0.241 3.719 3.960 0.000 0.000 0.219 348 G C 1.498 176.410 174.900 0.020 0.000 1.150 348 G CA 1.170 46.285 45.100 0.026 0.000 0.763 348 G HN 0.438 nan 8.290 nan 0.000 0.561 349 L N 0.002 121.247 121.223 0.035 0.000 2.156 349 L HA 0.183 4.523 4.340 0.000 0.000 0.208 349 L C 2.817 179.696 176.870 0.015 0.000 1.095 349 L CA 0.737 55.595 54.840 0.030 0.000 0.770 349 L CB -0.384 41.718 42.059 0.071 0.000 0.914 349 L HN 0.166 nan 8.230 nan 0.000 0.439 350 L N -1.332 119.903 121.223 0.019 0.000 2.027 350 L HA -0.199 4.141 4.340 0.000 0.000 0.206 350 L C 2.328 179.201 176.870 0.005 0.000 1.074 350 L CA 1.115 55.963 54.840 0.013 0.000 0.745 350 L CB -0.486 41.583 42.059 0.016 0.000 0.898 350 L HN 0.220 nan 8.230 nan 0.000 0.433 351 L N -0.488 120.738 121.223 0.005 0.000 2.191 351 L HA -0.124 4.216 4.340 0.000 0.000 0.212 351 L C 2.580 179.444 176.870 -0.009 0.000 1.103 351 L CA 1.086 55.926 54.840 -0.000 0.000 0.769 351 L CB -1.091 40.970 42.059 0.002 0.000 0.908 351 L HN 0.337 nan 8.230 nan 0.000 0.438 352 G N -0.152 108.639 108.800 -0.015 0.000 2.408 352 G HA2 -0.280 3.680 3.960 0.000 0.000 0.217 352 G HA3 -0.280 3.680 3.960 0.000 0.000 0.217 352 G C 1.494 176.376 174.900 -0.030 0.000 1.150 352 G CA 0.684 45.765 45.100 -0.032 0.000 0.776 352 G HN 0.331 nan 8.290 nan 0.000 0.542 353 E N 0.309 120.498 120.200 -0.019 0.000 2.152 353 E HA -0.024 4.326 4.350 0.000 0.000 0.192 353 E C 2.485 179.079 176.600 -0.011 0.000 0.983 353 E CA 0.560 56.951 56.400 -0.015 0.000 0.818 353 E CB -0.321 29.376 29.700 -0.005 0.000 0.758 353 E HN 0.163 nan 8.360 nan 0.000 0.467 354 V N 0.865 120.774 119.914 -0.008 0.000 2.343 354 V HA -0.229 3.891 4.120 0.000 0.000 0.247 354 V C 2.338 178.426 176.094 -0.009 0.000 1.051 354 V CA 1.703 64.000 62.300 -0.006 0.000 1.036 354 V CB -0.393 31.428 31.823 -0.003 0.000 0.654 354 V HN 0.352 nan 8.190 nan 0.000 0.451 355 I N -0.496 120.066 120.570 -0.013 0.000 2.252 355 I HA -0.230 3.940 4.170 0.000 0.000 0.245 355 I C 2.664 178.771 176.117 -0.017 0.000 1.102 355 I CA 1.540 62.831 61.300 -0.015 0.000 1.385 355 I CB -0.473 37.515 38.000 -0.019 0.000 1.064 355 I HN 0.288 nan 8.210 nan 0.000 0.414 356 R N 1.289 121.777 120.500 -0.020 0.000 2.147 356 R HA -0.234 4.106 4.340 0.000 0.000 0.225 356 R C 2.505 178.796 176.300 -0.014 0.000 1.120 356 R CA 3.063 59.151 56.100 -0.020 0.000 0.891 356 R CB -0.787 29.499 30.300 -0.023 0.000 0.822 356 R HN 0.421 nan 8.270 nan 0.000 0.433 357 T N -1.673 112.874 114.554 -0.011 0.000 2.802 357 T HA -0.159 4.191 4.350 0.000 0.000 0.269 357 T C 1.239 175.934 174.700 -0.007 0.000 1.062 357 T CA 1.991 64.086 62.100 -0.008 0.000 1.133 357 T CB -0.600 68.265 68.868 -0.005 0.000 0.852 357 T HN 0.516 nan 8.240 nan 0.000 0.485 358 N N 0.978 119.674 118.700 -0.007 0.000 2.336 358 N HA 0.130 4.870 4.740 0.000 0.000 0.189 358 N C -0.094 175.411 175.510 -0.007 0.000 1.113 358 N CA 0.204 53.250 53.050 -0.006 0.000 0.858 358 N CB 0.073 38.556 38.487 -0.005 0.000 0.970 358 N HN 0.557 nan 8.380 nan 0.000 0.471 359 E N 0.001 120.196 120.200 -0.009 0.000 3.146 359 E HA -0.234 4.116 4.350 0.000 0.000 0.277 359 E C -0.516 176.079 176.600 -0.010 0.000 1.003 359 E CA 0.247 56.642 56.400 -0.010 0.000 0.861 359 E CB -1.651 28.044 29.700 -0.008 0.000 1.436 359 E HN 0.441 nan 8.360 nan 0.000 0.455 360 L N 1.289 122.506 121.223 -0.010 0.000 2.628 360 L HA -0.088 4.252 4.340 0.000 0.000 0.292 360 L C 0.882 177.746 176.870 -0.010 0.000 1.250 360 L CA 1.150 55.984 54.840 -0.009 0.000 0.892 360 L CB -0.070 41.983 42.059 -0.009 0.000 1.138 360 L HN 0.119 nan 8.230 nan 0.000 0.502 361 K N 2.881 123.275 120.400 -0.009 0.000 2.427 361 K HA 0.756 5.076 4.320 0.000 0.000 0.252 361 K C -0.650 175.945 176.600 -0.009 0.000 0.931 361 K CA -0.928 55.354 56.287 -0.010 0.000 0.793 361 K CB 1.767 34.261 32.500 -0.009 0.000 1.211 361 K HN 0.498 nan 8.250 nan 0.000 0.426 362 A N 2.256 125.070 122.820 -0.009 0.000 2.616 362 A HA -0.091 4.230 4.320 0.000 0.000 0.234 362 A C -0.174 177.405 177.584 -0.008 0.000 1.024 362 A CA 0.528 52.560 52.037 -0.009 0.000 0.758 362 A CB -0.173 18.822 19.000 -0.008 0.000 0.939 362 A HN 0.813 nan 8.150 nan 0.000 0.510 363 D N 2.300 122.695 120.400 -0.009 0.000 2.441 363 D HA 0.169 4.809 4.640 0.000 0.000 0.221 363 D C 0.987 177.281 176.300 -0.011 0.000 1.156 363 D CA -0.324 53.671 54.000 -0.009 0.000 0.896 363 D CB 0.482 41.277 40.800 -0.008 0.000 1.028 363 D HN 0.483 nan 8.370 nan 0.000 0.509 364 E N 2.539 122.733 120.200 -0.010 0.000 2.171 364 E HA -0.193 4.157 4.350 0.000 0.000 0.197 364 E C 1.179 177.771 176.600 -0.014 0.000 0.997 364 E CA 0.932 57.325 56.400 -0.011 0.000 0.810 364 E CB 0.241 29.935 29.700 -0.009 0.000 0.738 364 E HN 0.602 nan 8.360 nan 0.000 0.467 365 E N 0.283 120.476 120.200 -0.012 0.000 2.358 365 E HA -0.069 4.281 4.350 0.000 0.000 0.195 365 E C 2.014 178.604 176.600 -0.017 0.000 1.010 365 E CA 0.195 56.587 56.400 -0.014 0.000 0.856 365 E CB 0.026 29.720 29.700 -0.010 0.000 0.795 365 E HN 0.216 nan 8.360 nan 0.000 0.504 366 R N 0.369 120.859 120.500 -0.017 0.000 2.080 366 R HA -0.019 4.321 4.340 0.000 0.000 0.222 366 R C 2.275 178.559 176.300 -0.027 0.000 1.107 366 R CA 0.591 56.680 56.100 -0.019 0.000 0.980 366 R CB 0.034 30.326 30.300 -0.014 0.000 0.879 366 R HN -0.053 nan 8.270 nan 0.000 0.439 367 V N 2.206 122.104 119.914 -0.027 0.000 2.252 367 V HA -0.326 3.794 4.120 0.000 0.000 0.249 367 V C 2.517 178.576 176.094 -0.058 0.000 1.056 367 V CA 2.221 64.498 62.300 -0.038 0.000 1.022 367 V CB -0.592 31.215 31.823 -0.027 0.000 0.641 367 V HN 0.419 nan 8.190 nan 0.000 0.445 368 K N 0.100 120.473 120.400 -0.045 0.000 2.089 368 K HA -0.235 4.085 4.320 0.000 0.000 0.210 368 K C 2.101 178.666 176.600 -0.059 0.000 1.048 368 K CA 2.055 58.312 56.287 -0.050 0.000 0.926 368 K CB -0.700 31.782 32.500 -0.030 0.000 0.714 368 K HN 0.529 nan 8.250 nan 0.000 0.448 369 G N 1.266 110.039 108.800 -0.046 0.000 2.422 369 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 369 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 369 G C 1.552 176.417 174.900 -0.058 0.000 1.146 369 G CA 0.731 45.806 45.100 -0.042 0.000 0.769 369 G HN 0.219 nan 8.290 nan 0.000 0.547 370 L N 0.149 121.329 121.223 -0.071 0.000 1.961 370 L HA -0.014 4.326 4.340 0.000 0.000 0.210 370 L C 2.858 179.633 176.870 -0.158 0.000 1.072 370 L CA 0.914 55.700 54.840 -0.090 0.000 0.749 370 L CB -0.499 41.511 42.059 -0.082 0.000 0.889 370 L HN 0.139 nan 8.230 nan 0.000 0.432 371 I N -0.149 120.280 120.570 -0.236 0.000 2.143 371 I HA -0.390 3.780 4.170 0.000 0.000 0.245 371 I C 2.535 178.502 176.117 -0.249 0.000 1.068 371 I CA 1.658 62.713 61.300 -0.410 0.000 1.326 371 I CB -0.456 37.329 38.000 -0.357 0.000 1.028 371 I HN 0.384 nan 8.210 nan 0.000 0.412 372 E N 0.347 120.467 120.200 -0.133 0.000 2.077 372 E HA -0.201 4.149 4.350 0.000 0.000 0.193 372 E C 1.249 177.822 176.600 -0.044 0.000 0.989 372 E CA 0.678 57.037 56.400 -0.068 0.000 0.800 372 E CB -0.048 29.626 29.700 -0.042 0.000 0.746 372 E HN 0.483 nan 8.360 nan 0.000 0.452 376 S N 1.112 116.886 115.700 0.123 0.000 2.571 376 S HA 0.166 4.636 4.470 0.000 0.000 0.245 376 S C 1.556 176.200 174.600 0.072 0.000 0.976 376 S CA 1.325 59.577 58.200 0.087 0.000 0.954 376 S CB -0.364 62.859 63.200 0.039 0.000 0.756 376 S HN 1.501 nan 8.310 nan 0.000 0.535 377 A N -0.305 122.562 122.820 0.079 0.000 2.119 377 A HA 0.354 4.674 4.320 0.000 0.000 0.216 377 A C 0.526 177.969 177.584 -0.236 0.000 1.152 377 A CA 0.203 52.162 52.037 -0.130 0.000 0.708 377 A CB -0.260 18.569 19.000 -0.285 0.000 0.805 377 A HN 0.591 nan 8.150 nan 0.000 0.460 378 Y N -1.597 118.724 120.300 0.034 0.000 2.732 378 Y HA 0.484 5.034 4.550 0.000 0.000 0.327 378 Y C 1.275 177.189 175.900 0.024 0.000 1.162 378 Y CA -0.915 57.205 58.100 0.033 0.000 1.238 378 Y CB 0.567 39.056 38.460 0.048 0.000 1.443 378 Y HN 0.068 nan 8.280 nan 0.000 0.584 379 E N -0.317 120.018 120.200 0.224 0.000 2.415 379 E HA 0.034 4.384 4.350 0.000 0.000 0.197 379 E C -0.676 175.977 176.600 0.088 0.000 1.007 379 E CA 0.508 56.978 56.400 0.117 0.000 0.890 379 E CB 0.355 30.105 29.700 0.083 0.000 0.891 379 E HN 0.543 nan 8.360 nan 0.000 0.496 380 D N 1.054 121.507 120.400 0.089 0.000 2.963 380 D HA 0.072 4.712 4.640 0.000 0.000 0.361 380 D C -1.936 174.388 176.300 0.041 0.000 1.317 380 D CA -1.199 52.829 54.000 0.046 0.000 0.832 380 D CB 0.806 41.618 40.800 0.021 0.000 1.135 380 D HN 0.035 nan 8.370 nan 0.000 0.476 381 P HA -0.253 nan 4.420 nan 0.000 0.218 381 P C 1.480 178.801 177.300 0.035 0.000 1.152 381 P CA 1.089 64.225 63.100 0.059 0.000 0.857 381 P CB 0.421 32.164 31.700 0.071 0.000 0.787 382 K N 0.231 120.649 120.400 0.030 0.000 2.113 382 K HA -0.175 4.145 4.320 0.000 0.000 0.208 382 K C 2.006 178.623 176.600 0.029 0.000 1.047 382 K CA 1.450 57.752 56.287 0.026 0.000 0.928 382 K CB -0.468 32.044 32.500 0.020 0.000 0.716 382 K HN 0.464 nan 8.250 nan 0.000 0.446 383 E N 0.224 120.437 120.200 0.021 0.000 2.140 383 E HA -0.048 4.302 4.350 0.000 0.000 0.191 383 E C 2.121 178.746 176.600 0.042 0.000 0.973 383 E CA 0.513 56.925 56.400 0.020 0.000 0.829 383 E CB 0.003 29.698 29.700 -0.009 0.000 0.781 383 E HN -0.031 nan 8.360 nan 0.000 0.466 384 V N 1.989 121.906 119.914 0.006 0.000 2.307 384 V HA -0.245 3.875 4.120 0.000 0.000 0.245 384 V C 2.336 178.525 176.094 0.159 0.000 1.045 384 V CA 1.444 63.755 62.300 0.017 0.000 1.024 384 V CB -0.490 31.234 31.823 -0.164 0.000 0.651 384 V HN 0.238 nan 8.190 nan 0.000 0.449 385 I N 0.173 120.800 120.570 0.096 0.000 2.208 385 I HA -0.300 3.870 4.170 0.000 0.000 0.245 385 I C 2.649 178.833 176.117 0.111 0.000 1.097 385 I CA 2.145 63.496 61.300 0.084 0.000 1.363 385 I CB -0.355 37.665 38.000 0.033 0.000 1.051 385 I HN 0.429 nan 8.210 nan 0.000 0.413 386 E N 0.830 121.092 120.200 0.102 0.000 2.106 386 E HA -0.252 4.098 4.350 0.000 0.000 0.192 386 E C 2.223 178.923 176.600 0.166 0.000 0.984 386 E CA 1.136 57.598 56.400 0.104 0.000 0.806 386 E CB -0.114 29.634 29.700 0.079 0.000 0.750 386 E HN 0.484 nan 8.360 nan 0.000 0.458 387 F N -0.319 119.636 119.950 0.009 0.000 2.084 387 F HA -0.253 4.274 4.527 0.000 0.000 0.296 387 F C 1.942 177.735 175.800 -0.011 0.000 1.111 387 F CA 1.219 59.203 58.000 -0.027 0.000 1.224 387 F CB -0.213 38.737 39.000 -0.083 0.000 0.991 387 F HN 0.064 nan 8.300 nan 0.000 0.471 388 Y N 0.672 120.849 120.300 -0.206 0.000 2.040 388 Y HA -0.384 4.166 4.550 0.000 0.000 0.275 388 Y C 2.975 178.742 175.900 -0.223 0.000 1.171 388 Y CA 2.122 60.046 58.100 -0.293 0.000 1.123 388 Y CB -1.144 37.236 38.460 -0.133 0.000 0.963 388 Y HN 0.253 nan 8.280 nan 0.000 0.493 389 S N 0.400 116.148 115.700 0.080 0.000 2.433 389 S HA -0.349 4.121 4.470 0.000 0.000 0.270 389 S C 1.451 176.042 174.600 -0.015 0.000 1.068 389 S CA 2.145 60.365 58.200 0.034 0.000 1.375 389 S CB -0.565 62.663 63.200 0.046 0.000 1.255 389 S HN 0.439 nan 8.310 nan 0.000 0.442 390 K N 1.976 122.368 120.400 -0.014 0.000 3.225 390 K HA 0.131 4.451 4.320 0.000 0.000 0.282 390 K C -0.124 176.423 176.600 -0.089 0.000 1.060 390 K CA -0.108 56.166 56.287 -0.021 0.000 1.186 390 K CB -0.472 32.044 32.500 0.028 0.000 1.214 390 K HN 0.259 nan 8.250 nan 0.000 0.428 391 N N 1.735 120.326 118.700 -0.182 0.000 2.569 391 N HA 0.032 4.772 4.740 0.000 0.000 0.254 391 N C 0.490 175.892 175.510 -0.180 0.000 1.004 391 N CA -0.076 52.803 53.050 -0.285 0.000 0.904 391 N CB 1.138 39.224 38.487 -0.668 0.000 1.165 391 N HN 0.057 nan 8.380 nan 0.000 0.513 392 K N 3.159 123.491 120.400 -0.113 0.000 2.013 392 K HA -0.255 4.065 4.320 0.000 0.000 0.225 392 K C 0.940 177.496 176.600 -0.074 0.000 1.056 392 K CA 2.055 58.299 56.287 -0.073 0.000 0.971 392 K CB 0.066 32.535 32.500 -0.051 0.000 0.731 392 K HN 0.581 nan 8.250 nan 0.000 0.450 393 E N 0.696 120.844 120.200 -0.088 0.000 2.031 393 E HA -0.107 4.243 4.350 0.000 0.000 0.193 393 E C 1.243 177.798 176.600 -0.076 0.000 0.994 393 E CA 0.675 57.032 56.400 -0.072 0.000 0.800 393 E CB -0.196 29.463 29.700 -0.068 0.000 0.752 393 E HN 0.263 nan 8.360 nan 0.000 0.447 400 N N 1.129 119.830 118.700 0.002 0.000 2.309 400 N HA -0.059 4.681 4.740 0.000 0.000 0.182 400 N C 1.617 177.128 175.510 0.002 0.000 1.018 400 N CA 1.277 54.326 53.050 -0.001 0.000 0.876 400 N CB 0.167 38.654 38.487 -0.000 0.000 0.972 400 N HN 0.003 nan 8.380 nan 0.000 0.434 401 V N 1.371 121.289 119.914 0.006 0.000 2.626 401 V HA -0.121 4.000 4.120 0.000 0.000 0.252 401 V C 2.363 178.457 176.094 0.000 0.000 1.067 401 V CA 1.578 63.882 62.300 0.006 0.000 1.081 401 V CB -0.741 31.088 31.823 0.009 0.000 0.686 401 V HN 0.259 nan 8.190 nan 0.000 0.468 402 A N -0.138 122.680 122.820 -0.003 0.000 1.874 402 A HA -0.037 4.283 4.320 0.000 0.000 0.214 402 A C 2.183 179.764 177.584 -0.005 0.000 1.189 402 A CA 1.227 53.261 52.037 -0.006 0.000 0.615 402 A CB -0.458 18.537 19.000 -0.009 0.000 0.830 402 A HN 0.442 nan 8.150 nan 0.000 0.443 403 L N 0.060 121.279 121.223 -0.005 0.000 2.042 403 L HA -0.286 4.054 4.340 0.000 0.000 0.210 403 L C 2.734 179.601 176.870 -0.004 0.000 1.076 403 L CA 2.110 56.947 54.840 -0.006 0.000 0.749 403 L CB -0.782 41.271 42.059 -0.009 0.000 0.893 403 L HN 0.735 nan 8.230 nan 0.000 0.432 404 E N 1.104 121.302 120.200 -0.002 0.000 2.038 404 E HA -0.292 4.058 4.350 0.000 0.000 0.195 404 E C 1.816 178.417 176.600 0.001 0.000 1.000 404 E CA 1.659 58.059 56.400 0.000 0.000 0.803 404 E CB -0.583 29.119 29.700 0.003 0.000 0.750 404 E HN 0.669 nan 8.360 nan 0.000 0.448 405 E N 0.780 120.981 120.200 0.001 0.000 2.150 405 E HA -0.250 4.100 4.350 0.000 0.000 0.193 405 E C 2.237 178.838 176.600 0.001 0.000 0.985 405 E CA 1.033 57.434 56.400 0.002 0.000 0.814 405 E CB -0.310 29.390 29.700 0.002 0.000 0.752 405 E HN 0.417 nan 8.360 nan 0.000 0.466 406 Q N 0.445 120.244 119.800 -0.001 0.000 2.224 406 Q HA -0.057 4.283 4.340 0.000 0.000 0.203 406 Q C 2.197 178.196 176.000 -0.002 0.000 0.970 406 Q CA 1.384 57.185 55.803 -0.002 0.000 0.865 406 Q CB -0.080 28.655 28.738 -0.004 0.000 0.922 406 Q HN 0.471 nan 8.270 nan 0.000 0.445 407 A N 0.044 122.863 122.820 -0.002 0.000 1.968 407 A HA -0.076 4.244 4.320 0.000 0.000 0.217 407 A C 2.110 179.695 177.584 0.001 0.000 1.169 407 A CA 0.918 52.954 52.037 -0.001 0.000 0.638 407 A CB -0.475 18.524 19.000 -0.003 0.000 0.812 407 A HN 0.283 nan 8.150 nan 0.000 0.446 408 V N 0.045 119.960 119.914 0.003 0.000 2.809 408 V HA -0.152 3.968 4.120 0.000 0.000 0.256 408 V C 2.015 178.111 176.094 0.004 0.000 1.080 408 V CA 2.246 64.549 62.300 0.004 0.000 1.102 408 V CB -0.488 31.338 31.823 0.006 0.000 0.705 408 V HN 0.679 nan 8.190 nan 0.000 0.475 409 E N 0.189 120.391 120.200 0.003 0.000 2.107 409 E HA -0.092 4.258 4.350 0.000 0.000 0.191 409 E C 2.279 178.881 176.600 0.002 0.000 0.982 409 E CA 1.122 57.524 56.400 0.003 0.000 0.809 409 E CB -0.275 29.426 29.700 0.002 0.000 0.756 409 E HN 0.693 nan 8.360 nan 0.000 0.459 410 A N 0.798 123.618 122.820 0.001 0.000 1.972 410 A HA -0.126 4.194 4.320 0.000 0.000 0.219 410 A C 2.417 180.002 177.584 0.002 0.000 1.169 410 A CA 0.941 52.979 52.037 0.001 0.000 0.635 410 A CB -0.445 18.555 19.000 -0.001 0.000 0.810 410 A HN 0.107 nan 8.150 nan 0.000 0.446 411 V N 0.113 120.028 119.914 0.003 0.000 2.358 411 V HA -0.228 3.892 4.120 0.000 0.000 0.246 411 V C 2.543 178.640 176.094 0.004 0.000 1.047 411 V CA 1.742 64.044 62.300 0.004 0.000 1.035 411 V CB -0.678 31.148 31.823 0.005 0.000 0.658 411 V HN 0.571 nan 8.190 nan 0.000 0.452 412 L N 0.379 121.605 121.223 0.004 0.000 2.012 412 L HA -0.157 4.183 4.340 0.000 0.000 0.210 412 L C 2.360 179.232 176.870 0.004 0.000 1.073 412 L CA 1.688 56.531 54.840 0.005 0.000 0.748 412 L CB -0.765 41.297 42.059 0.005 0.000 0.891 412 L HN 0.381 nan 8.230 nan 0.000 0.431 413 A N -0.780 122.042 122.820 0.003 0.000 2.207 413 A HA -0.106 4.214 4.320 0.000 0.000 0.205 413 A C 1.695 179.280 177.584 0.002 0.000 1.310 413 A CA 1.139 53.177 52.037 0.003 0.000 0.926 413 A CB -0.387 18.614 19.000 0.002 0.000 0.778 413 A HN 0.448 nan 8.150 nan 0.000 0.497 414 K N -2.033 118.368 120.400 0.003 0.000 2.603 414 K HA 0.263 4.583 4.320 0.000 0.000 0.216 414 K C 0.472 177.074 176.600 0.003 0.000 1.562 414 K CA 0.444 56.733 56.287 0.003 0.000 1.012 414 K CB 0.753 33.255 32.500 0.003 0.000 1.280 414 K HN 0.347 nan 8.250 nan 0.000 0.620 415 A N 1.734 124.557 122.820 0.004 0.000 2.287 415 A HA 0.258 4.578 4.320 0.000 0.000 0.273 415 A C -0.323 177.264 177.584 0.004 0.000 1.091 415 A CA -0.084 51.956 52.037 0.004 0.000 0.817 415 A CB 0.416 19.419 19.000 0.005 0.000 1.069 415 A HN 0.121 nan 8.150 nan 0.000 0.492 416 K N 1.807 122.209 120.400 0.004 0.000 2.127 416 K HA 0.387 4.707 4.320 0.000 0.000 0.261 416 K C -0.877 175.726 176.600 0.005 0.000 1.129 416 K CA -0.222 56.068 56.287 0.004 0.000 0.993 416 K CB -0.412 32.091 32.500 0.004 0.000 1.410 416 K HN 0.435 nan 8.250 nan 0.000 0.380 417 V N 2.885 122.802 119.914 0.005 0.000 2.686 417 V HA 0.326 4.447 4.120 0.000 0.000 0.295 417 V C 0.314 176.412 176.094 0.006 0.000 1.057 417 V CA -0.524 61.780 62.300 0.005 0.000 1.012 417 V CB 1.296 33.122 31.823 0.006 0.000 1.006 417 V HN 0.872 nan 8.190 nan 0.000 0.477 418 T N 0.711 115.269 114.554 0.006 0.000 3.105 418 T HA 0.469 4.819 4.350 0.000 0.000 0.321 418 T C -0.787 173.917 174.700 0.007 0.000 1.135 418 T CA -0.879 61.225 62.100 0.006 0.000 1.053 418 T CB 1.530 70.401 68.868 0.006 0.000 1.133 418 T HN 0.669 nan 8.240 nan 0.000 0.463 419 E N 1.554 121.758 120.200 0.008 0.000 2.374 419 E HA 0.552 4.902 4.350 0.000 0.000 0.260 419 E C -0.533 176.072 176.600 0.009 0.000 1.101 419 E CA -0.890 55.515 56.400 0.009 0.000 0.907 419 E CB 0.943 30.649 29.700 0.009 0.000 1.014 419 E HN 0.614 nan 8.360 nan 0.000 0.427 420 K N 1.346 121.752 120.400 0.011 0.000 2.587 420 K HA 0.096 4.416 4.320 0.000 0.000 0.256 420 K C -1.458 175.151 176.600 0.014 0.000 0.974 420 K CA -0.247 56.047 56.287 0.011 0.000 0.855 420 K CB 1.535 34.040 32.500 0.009 0.000 1.292 420 K HN 0.430 nan 8.250 nan 0.000 0.444 421 E N 1.813 122.022 120.200 0.014 0.000 2.415 421 E HA 0.235 4.585 4.350 0.000 0.000 0.262 421 E C -0.904 175.708 176.600 0.020 0.000 1.038 421 E CA 0.594 57.005 56.400 0.018 0.000 0.921 421 E CB 0.669 30.379 29.700 0.017 0.000 0.950 421 E HN 0.609 nan 8.360 nan 0.000 0.438 422 T N 1.287 115.857 114.554 0.027 0.000 2.802 422 T HA 0.279 4.629 4.350 0.000 0.000 0.311 422 T C -0.551 174.176 174.700 0.046 0.000 1.405 422 T CA -0.872 61.245 62.100 0.028 0.000 1.016 422 T CB 1.333 70.213 68.868 0.021 0.000 1.352 422 T HN 0.603 nan 8.240 nan 0.000 0.498 423 T N -1.105 113.477 114.554 0.047 0.000 2.897 423 T HA 0.579 4.929 4.350 0.000 0.000 0.278 423 T C 0.856 175.625 174.700 0.116 0.000 0.981 423 T CA -0.752 61.397 62.100 0.081 0.000 0.973 423 T CB 0.677 69.585 68.868 0.067 0.000 1.092 423 T HN 0.395 nan 8.240 nan 0.000 0.543 424 F N 2.461 122.414 119.950 0.005 0.000 2.039 424 F HA -0.062 4.465 4.527 0.000 0.000 0.294 424 F C 2.463 178.267 175.800 0.008 0.000 1.130 424 F CA 2.229 60.233 58.000 0.007 0.000 1.189 424 F CB -0.772 38.232 39.000 0.006 0.000 0.983 424 F HN 0.763 nan 8.300 nan 0.000 0.471 425 N N 0.731 119.388 118.700 -0.072 0.000 2.192 425 N HA -0.285 4.455 4.740 0.000 0.000 0.188 425 N C 1.727 177.151 175.510 -0.143 0.000 1.013 425 N CA 1.791 54.743 53.050 -0.164 0.000 0.863 425 N CB -1.103 37.383 38.487 -0.001 0.000 0.990 425 N HN 0.610 nan 8.380 nan 0.000 0.430 426 E N -0.004 120.151 120.200 -0.074 0.000 2.077 426 E HA -0.082 4.268 4.350 0.000 0.000 0.193 426 E C 0.832 177.381 176.600 -0.085 0.000 0.989 426 E CA 0.250 56.617 56.400 -0.055 0.000 0.800 426 E CB -0.007 29.682 29.700 -0.018 0.000 0.746 426 E HN 0.295 nan 8.360 nan 0.000 0.452 430 Q N 1.320 121.083 119.800 -0.062 0.000 2.628 430 Q HA 0.240 4.580 4.340 0.000 0.000 0.397 430 Q C -0.727 175.257 176.000 -0.028 0.000 0.916 430 Q CA -0.281 55.497 55.803 -0.042 0.000 1.071 430 Q CB 0.846 29.557 28.738 -0.044 0.000 1.367 430 Q HN 0.371 nan 8.270 nan 0.000 0.404 431 Q N 0.712 120.499 119.800 -0.022 0.000 2.788 431 Q HA 0.622 4.962 4.340 0.000 0.000 0.285 431 Q C -1.318 174.678 176.000 -0.007 0.000 1.063 431 Q CA -0.288 55.507 55.803 -0.012 0.000 0.958 431 Q CB 0.455 29.187 28.738 -0.011 0.000 1.211 431 Q HN 0.382 nan 8.270 nan 0.000 0.478 432 A N 0.000 122.817 122.820 -0.005 0.000 2.254 432 A HA 0.000 4.320 4.320 0.000 0.000 0.244 432 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 432 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 432 A HN 0.000 nan 8.150 nan 0.000 0.486