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 3m1v_1_A DATA FIRST_RESID 2 DATA SEQUENCE ADKLFINALK KKFEESPEEK KTTFYTLGGW KQSERKTEFV NAGKEVAAKR DATA SEQUENCE GIPQYNPDIG TPLGQRVLMP YQVSTTDTYV EGDDLHFVNN AAMQQMWDDI DATA SEQUENCE RRTVIVGLNH AHAVIEKRLG KEVTPETITH YLETVNHAMP GAAVVQEHMV DATA SEQUENCE ETHPALVADS YVKVFTGNDE IADEIDPAFV IDINKQFPED QAETLKAEVG DATA SEQUENCE DGIWQVVRIP TIVSRTCDGA TTSRWSAMQI GMSMISAYKQ AAGEAATGDF DATA SEQUENCE AYAAKXAEVI HMGTYLPVRX ARGENEPGGV PFGYLADICQ SSRVNYEDPV DATA SEQUENCE RVSLDVVATG AMLYDQIWLG SYMSGGVGFT QYATAAYTDN ILDDFTYFGK DATA SEQUENCE EYVEDKYGLC EAPNNMDTVL DVATEVTFYG LEQYEEYPAL LEDQFGGSXR DATA SEQUENCE AAVVAAAAGC STAFATGNAQ TGLSGWYLSM YLHKEQHSRL GFYXYDLQDQ DATA SEQUENCE XGASNVFSIR GDEGLPLELR GPNYPNYAMN VGHQGEYAGI SQAPHAARGD DATA SEQUENCE AFVFNPLVKI AFADDNLVFD FTNVRGEFAK GALREFEPAG ERALITPA 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.571 177.584 -0.021 0.000 1.274 2 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 2 A CB 0.000 18.984 19.000 -0.027 0.000 0.831 3 D N 2.083 122.456 120.400 -0.045 0.000 2.506 3 D HA 0.208 4.863 4.640 0.024 0.000 0.234 3 D C 0.312 176.506 176.300 -0.176 0.000 1.143 3 D CA 0.521 54.465 54.000 -0.093 0.000 0.871 3 D CB 0.572 41.312 40.800 -0.100 0.000 1.190 3 D HN 0.330 nan 8.370 nan 0.000 0.459 4 K N 1.741 121.952 120.400 -0.315 0.000 2.397 4 K HA 0.045 4.380 4.320 0.024 0.000 0.265 4 K C 1.391 177.620 176.600 -0.617 0.000 0.982 4 K CA -0.096 55.852 56.287 -0.564 0.000 0.931 4 K CB 0.235 32.003 32.500 -1.220 0.000 0.943 4 K HN 0.388 nan 8.250 nan 0.000 0.501 5 L N 1.178 122.135 121.223 -0.444 0.000 2.275 5 L HA -0.110 4.244 4.340 0.024 0.000 0.215 5 L C 1.683 178.459 176.870 -0.157 0.000 1.119 5 L CA 0.940 55.658 54.840 -0.202 0.000 0.790 5 L CB -0.436 41.618 42.059 -0.009 0.000 0.919 5 L HN 0.558 nan 8.230 nan 0.000 0.443 6 F N -2.437 117.487 119.950 -0.042 0.000 2.797 6 F HA 0.156 4.696 4.527 0.023 0.000 0.302 6 F C 1.992 177.755 175.800 -0.062 0.000 1.130 6 F CA -0.296 57.669 58.000 -0.058 0.000 1.387 6 F CB -0.807 38.133 39.000 -0.099 0.000 1.107 6 F HN -0.155 nan 8.300 nan 0.000 0.577 7 I N 1.599 122.059 120.570 -0.182 0.000 2.208 7 I HA -0.265 3.920 4.170 0.024 0.000 0.245 7 I C 1.871 178.015 176.117 0.046 0.000 1.097 7 I CA 1.148 62.416 61.300 -0.054 0.000 1.363 7 I CB -1.215 36.683 38.000 -0.170 0.000 1.051 7 I HN 0.248 nan 8.210 nan 0.000 0.413 8 N N 1.318 120.043 118.700 0.041 0.000 2.120 8 N HA -0.118 4.636 4.740 0.024 0.000 0.188 8 N C 1.938 177.538 175.510 0.149 0.000 1.024 8 N CA 1.700 54.799 53.050 0.083 0.000 0.852 8 N CB -0.307 38.240 38.487 0.100 0.000 1.003 8 N HN 0.370 nan 8.380 nan 0.000 0.424 9 A N 1.199 124.148 122.820 0.214 0.000 1.898 9 A HA -0.032 4.303 4.320 0.024 0.000 0.216 9 A C 2.364 180.044 177.584 0.160 0.000 1.181 9 A CA 0.846 53.062 52.037 0.298 0.000 0.620 9 A CB -0.684 18.450 19.000 0.223 0.000 0.819 9 A HN 0.217 nan 8.150 nan 0.000 0.442 10 L N -0.718 120.600 121.223 0.158 0.000 2.083 10 L HA -0.204 4.150 4.340 0.024 0.000 0.209 10 L C 2.498 179.443 176.870 0.124 0.000 1.083 10 L CA 1.677 56.617 54.840 0.166 0.000 0.752 10 L CB -0.505 41.711 42.059 0.261 0.000 0.899 10 L HN 0.364 nan 8.230 nan 0.000 0.433 11 K N -0.052 120.405 120.400 0.094 0.000 2.148 11 K HA -0.123 4.211 4.320 0.024 0.000 0.204 11 K C 2.108 178.691 176.600 -0.028 0.000 1.050 11 K CA 0.878 57.197 56.287 0.053 0.000 0.942 11 K CB -0.016 32.506 32.500 0.036 0.000 0.724 11 K HN 0.199 nan 8.250 nan 0.000 0.446 12 K N 1.141 121.486 120.400 -0.091 0.000 2.155 12 K HA -0.074 4.260 4.320 0.024 0.000 0.203 12 K C 1.815 178.269 176.600 -0.244 0.000 1.052 12 K CA 1.032 57.182 56.287 -0.228 0.000 0.948 12 K CB 0.069 32.274 32.500 -0.492 0.000 0.728 12 K HN 0.152 nan 8.250 nan 0.000 0.448 13 K N -0.425 119.789 120.400 -0.311 0.000 2.103 13 K HA -0.004 4.331 4.320 0.024 0.000 0.204 13 K C 0.254 176.448 176.600 -0.677 0.000 1.052 13 K CA 0.873 56.782 56.287 -0.629 0.000 0.945 13 K CB 0.109 31.866 32.500 -1.238 0.000 0.722 13 K HN -0.074 nan 8.250 nan 0.000 0.443 14 F N -0.227 119.707 119.950 -0.026 0.000 2.603 14 F HA 0.245 4.786 4.527 0.024 0.000 0.317 14 F C 1.006 176.786 175.800 -0.035 0.000 1.066 14 F CA -1.170 56.811 58.000 -0.031 0.000 0.941 14 F CB 1.565 40.556 39.000 -0.016 0.000 1.291 14 F HN -0.217 nan 8.300 nan 0.000 0.472 15 E N -0.022 120.275 120.200 0.161 0.000 2.152 15 E HA -0.075 4.290 4.350 0.024 0.000 0.192 15 E C -0.218 176.418 176.600 0.060 0.000 0.983 15 E CA 0.737 57.176 56.400 0.065 0.000 0.818 15 E CB 0.090 29.805 29.700 0.024 0.000 0.758 15 E HN 0.554 nan 8.360 nan 0.000 0.467 16 E N 1.335 121.575 120.200 0.067 0.000 2.404 16 E HA 0.024 4.389 4.350 0.024 0.000 0.261 16 E C -0.074 176.571 176.600 0.074 0.000 1.074 16 E CA -0.168 56.251 56.400 0.031 0.000 0.917 16 E CB 0.723 30.406 29.700 -0.028 0.000 0.965 16 E HN 0.043 nan 8.360 nan 0.000 0.433 17 S N 2.422 118.157 115.700 0.059 0.000 2.580 17 S HA 0.082 4.566 4.470 0.024 0.000 0.266 17 S C -1.642 173.035 174.600 0.128 0.000 1.354 17 S CA -0.980 57.275 58.200 0.092 0.000 1.008 17 S CB 0.551 63.795 63.200 0.073 0.000 0.898 17 S HN 0.365 nan 8.310 nan 0.000 0.555 18 P HA 0.034 nan 4.420 nan 0.000 0.229 18 P C 0.495 177.966 177.300 0.285 0.000 1.160 18 P CA 0.841 64.105 63.100 0.273 0.000 0.777 18 P CB -0.076 31.828 31.700 0.340 0.000 0.814 19 E N -0.021 120.309 120.200 0.217 0.000 2.427 19 E HA -0.028 4.337 4.350 0.024 0.000 0.196 19 E C 0.498 177.100 176.600 0.004 0.000 1.028 19 E CA 0.324 56.765 56.400 0.068 0.000 0.864 19 E CB -0.511 29.189 29.700 -0.001 0.000 0.813 19 E HN 0.480 nan 8.360 nan 0.000 0.514 20 E N 0.878 121.084 120.200 0.009 0.000 2.392 20 E HA 0.043 4.407 4.350 0.024 0.000 0.264 20 E C 0.479 177.044 176.600 -0.059 0.000 1.024 20 E CA 0.093 56.474 56.400 -0.032 0.000 0.903 20 E CB 0.746 30.421 29.700 -0.041 0.000 0.963 20 E HN 0.070 nan 8.360 nan 0.000 0.432 21 K N 1.655 122.017 120.400 -0.064 0.000 2.314 21 K HA 0.062 4.396 4.320 0.024 0.000 0.198 21 K C 0.223 176.773 176.600 -0.083 0.000 1.045 21 K CA 0.712 56.960 56.287 -0.066 0.000 0.988 21 K CB 0.377 32.844 32.500 -0.053 0.000 0.783 21 K HN 0.239 nan 8.250 nan 0.000 0.484 22 K N 0.060 120.397 120.400 -0.105 0.000 2.385 22 K HA 0.323 4.658 4.320 0.024 0.000 0.248 22 K C -0.628 175.844 176.600 -0.213 0.000 0.955 22 K CA -0.452 55.753 56.287 -0.136 0.000 0.816 22 K CB 2.455 34.895 32.500 -0.100 0.000 1.250 22 K HN -0.182 nan 8.250 nan 0.000 0.434 23 T N -0.444 113.911 114.554 -0.332 0.000 2.647 23 T HA 0.488 4.853 4.350 0.024 0.000 0.295 23 T C -1.486 172.862 174.700 -0.585 0.000 1.126 23 T CA -0.434 61.387 62.100 -0.466 0.000 1.040 23 T CB 1.634 70.140 68.868 -0.603 0.000 1.472 23 T HN 0.746 nan 8.240 nan 0.000 0.500 24 T N 0.090 114.265 114.554 -0.630 0.000 2.900 24 T HA 0.807 5.171 4.350 0.024 0.000 0.295 24 T C -1.348 172.934 174.700 -0.698 0.000 1.044 24 T CA -0.559 61.213 62.100 -0.546 0.000 0.995 24 T CB 1.048 69.773 68.868 -0.238 0.000 1.072 24 T HN 0.318 nan 8.240 nan 0.000 0.473 25 F N 0.521 120.262 119.950 -0.349 0.000 2.661 25 F HA 0.621 5.162 4.527 0.024 0.000 0.347 25 F C 0.093 175.594 175.800 -0.498 0.000 1.086 25 F CA -1.307 56.302 58.000 -0.651 0.000 1.016 25 F CB 0.622 38.816 39.000 -1.343 0.000 1.368 25 F HN 0.797 nan 8.300 nan 0.000 0.505 26 Y N -1.960 118.461 120.300 0.201 0.000 4.907 26 Y HA -0.251 4.314 4.550 0.024 0.000 0.246 26 Y C 1.065 176.990 175.900 0.041 0.000 0.968 26 Y CA 0.602 58.756 58.100 0.090 0.000 1.961 26 Y CB -2.780 35.724 38.460 0.073 0.000 1.487 26 Y HN 0.573 nan 8.280 nan 0.000 0.575 27 T N -3.427 111.192 114.554 0.108 0.000 3.228 27 T HA 0.538 4.902 4.350 0.024 0.000 0.278 27 T C 0.643 175.350 174.700 0.012 0.000 1.014 27 T CA -0.033 62.100 62.100 0.055 0.000 0.904 27 T CB -0.305 68.580 68.868 0.029 0.000 1.110 27 T HN 0.381 nan 8.240 nan 0.000 0.541 28 L N 0.751 121.980 121.223 0.010 0.000 2.693 28 L HA 0.458 4.812 4.340 0.024 0.000 0.235 28 L C 1.748 178.583 176.870 -0.059 0.000 1.127 28 L CA 0.138 54.966 54.840 -0.020 0.000 0.914 28 L CB 0.030 42.087 42.059 -0.003 0.000 1.193 28 L HN 0.590 nan 8.230 nan 0.000 0.502 29 G N 0.204 108.964 108.800 -0.068 0.000 2.160 29 G HA2 -0.171 3.804 3.960 0.024 0.000 0.244 29 G HA3 -0.171 3.804 3.960 0.024 0.000 0.244 29 G C 0.841 175.613 174.900 -0.214 0.000 1.022 29 G CA 0.270 45.281 45.100 -0.149 0.000 0.741 29 G HN 0.714 nan 8.290 nan 0.000 0.508 30 G N 0.173 108.921 108.800 -0.087 0.000 2.583 30 G HA2 -0.297 3.678 3.960 0.024 0.000 0.292 30 G HA3 -0.297 3.678 3.960 0.024 0.000 0.292 30 G C 1.358 176.249 174.900 -0.015 0.000 1.203 30 G CA 1.667 46.749 45.100 -0.030 0.000 0.987 30 G HN 1.746 nan 8.290 nan 0.000 0.554 31 W N 0.971 122.297 121.300 0.044 0.000 2.421 31 W HA 0.084 4.758 4.660 0.024 0.000 0.270 31 W C 1.789 178.325 176.519 0.027 0.000 1.233 31 W CA 1.246 58.619 57.345 0.047 0.000 1.226 31 W CB -0.611 28.899 29.460 0.083 0.000 1.121 31 W HN 0.515 nan 8.180 nan 0.000 0.579 32 K N 1.448 121.490 120.400 -0.597 0.000 2.442 32 K HA -0.192 4.143 4.320 0.024 0.000 0.198 32 K C 2.239 178.726 176.600 -0.188 0.000 1.042 32 K CA 1.675 57.615 56.287 -0.577 0.000 0.958 32 K CB -0.268 31.767 32.500 -0.774 0.000 0.766 32 K HN 0.418 nan 8.250 nan 0.000 0.474 33 Q N 0.388 120.124 119.800 -0.106 0.000 2.369 33 Q HA -0.022 4.333 4.340 0.024 0.000 0.206 33 Q C 0.531 176.525 176.000 -0.010 0.000 0.963 33 Q CA 0.692 56.465 55.803 -0.050 0.000 0.894 33 Q CB 0.211 28.932 28.738 -0.029 0.000 0.965 33 Q HN -0.036 nan 8.270 nan 0.000 0.475 34 S N -0.043 115.678 115.700 0.036 0.000 2.437 34 S HA 0.101 4.586 4.470 0.024 0.000 0.305 34 S C 0.523 175.136 174.600 0.022 0.000 1.109 34 S CA -0.683 57.533 58.200 0.026 0.000 1.099 34 S CB 1.685 64.912 63.200 0.044 0.000 1.004 34 S HN 0.456 nan 8.310 nan 0.000 0.475 35 E N 3.625 123.816 120.200 -0.015 0.000 2.070 35 E HA -0.250 4.114 4.350 0.024 0.000 0.197 35 E C 1.860 178.401 176.600 -0.098 0.000 1.004 35 E CA 1.312 57.694 56.400 -0.029 0.000 0.805 35 E CB -0.099 29.584 29.700 -0.029 0.000 0.744 35 E HN 0.653 nan 8.360 nan 0.000 0.451 36 R N 0.643 121.028 120.500 -0.191 0.000 2.073 36 R HA -0.059 4.296 4.340 0.024 0.000 0.229 36 R C 2.141 177.997 176.300 -0.740 0.000 1.120 36 R CA 1.443 57.261 56.100 -0.471 0.000 0.967 36 R CB -0.032 29.993 30.300 -0.458 0.000 0.862 36 R HN 0.022 nan 8.270 nan 0.000 0.436 37 K N -0.460 119.711 120.400 -0.381 0.000 2.097 37 K HA -0.036 4.298 4.320 0.024 0.000 0.206 37 K C 1.978 178.548 176.600 -0.050 0.000 1.049 37 K CA 1.840 58.011 56.287 -0.192 0.000 0.933 37 K CB -0.581 32.015 32.500 0.160 0.000 0.717 37 K HN 0.236 nan 8.250 nan 0.000 0.442 38 T N 1.412 116.032 114.554 0.109 0.000 2.777 38 T HA -0.147 4.218 4.350 0.024 0.000 0.266 38 T C 1.805 176.524 174.700 0.031 0.000 1.040 38 T CA 1.325 63.551 62.100 0.211 0.000 1.141 38 T CB -0.071 68.955 68.868 0.263 0.000 0.868 38 T HN 0.404 nan 8.240 nan 0.000 0.444 39 E N -0.021 120.155 120.200 -0.041 0.000 2.097 39 E HA -0.181 4.184 4.350 0.024 0.000 0.196 39 E C 1.748 178.389 176.600 0.069 0.000 1.000 39 E CA 1.222 57.621 56.400 -0.003 0.000 0.804 39 E CB -0.112 29.573 29.700 -0.025 0.000 0.740 39 E HN 0.398 nan 8.360 nan 0.000 0.454 40 F N 0.269 120.061 119.950 -0.264 0.000 2.163 40 F HA -0.110 4.432 4.527 0.024 0.000 0.297 40 F C 2.439 177.888 175.800 -0.584 0.000 1.094 40 F CA 0.471 58.142 58.000 -0.549 0.000 1.290 40 F CB -1.136 37.339 39.000 -0.875 0.000 1.017 40 F HN -0.048 nan 8.300 nan 0.000 0.483 41 V N 0.670 120.449 119.914 -0.225 0.000 2.287 41 V HA -0.339 3.795 4.120 0.024 0.000 0.248 41 V C 1.945 177.975 176.094 -0.106 0.000 1.053 41 V CA 2.280 64.454 62.300 -0.210 0.000 1.027 41 V CB -0.952 30.489 31.823 -0.637 0.000 0.646 41 V HN 0.357 nan 8.190 nan 0.000 0.447 42 N N 0.056 118.715 118.700 -0.068 0.000 2.188 42 N HA -0.105 4.649 4.740 0.024 0.000 0.184 42 N C 1.892 177.387 175.510 -0.024 0.000 1.018 42 N CA 1.145 54.185 53.050 -0.016 0.000 0.858 42 N CB -0.304 38.193 38.487 0.016 0.000 0.989 42 N HN 0.490 nan 8.380 nan 0.000 0.426 43 A N 0.836 123.631 122.820 -0.043 0.000 1.930 43 A HA 0.014 4.349 4.320 0.024 0.000 0.217 43 A C 2.353 179.897 177.584 -0.066 0.000 1.175 43 A CA 1.625 53.629 52.037 -0.056 0.000 0.627 43 A CB -1.160 17.791 19.000 -0.083 0.000 0.815 43 A HN 0.378 nan 8.150 nan 0.000 0.443 44 G N -0.084 108.671 108.800 -0.074 0.000 2.442 44 G HA2 -0.253 3.722 3.960 0.024 0.000 0.219 44 G HA3 -0.253 3.722 3.960 0.024 0.000 0.219 44 G C 1.664 176.568 174.900 0.007 0.000 1.141 44 G CA 1.157 46.259 45.100 0.004 0.000 0.763 44 G HN 0.588 nan 8.290 nan 0.000 0.554 45 K N 0.083 120.484 120.400 0.002 0.000 2.097 45 K HA -0.044 4.290 4.320 0.024 0.000 0.205 45 K C 2.337 178.936 176.600 -0.002 0.000 1.050 45 K CA 1.170 57.459 56.287 0.003 0.000 0.938 45 K CB -0.123 32.381 32.500 0.006 0.000 0.718 45 K HN 0.454 nan 8.250 nan 0.000 0.442 46 E N 0.878 121.073 120.200 -0.007 0.000 2.051 46 E HA -0.169 4.196 4.350 0.024 0.000 0.192 46 E C 1.979 178.571 176.600 -0.013 0.000 0.991 46 E CA 1.064 57.459 56.400 -0.008 0.000 0.799 46 E CB 0.150 29.843 29.700 -0.011 0.000 0.748 46 E HN 0.003 nan 8.360 nan 0.000 0.449 47 V N 1.340 121.241 119.914 -0.021 0.000 2.287 47 V HA -0.303 3.832 4.120 0.024 0.000 0.248 47 V C 2.467 178.551 176.094 -0.016 0.000 1.053 47 V CA 1.951 64.237 62.300 -0.024 0.000 1.027 47 V CB -0.793 31.007 31.823 -0.038 0.000 0.646 47 V HN 0.465 nan 8.190 nan 0.000 0.447 48 A N -0.257 122.557 122.820 -0.011 0.000 1.902 48 A HA -0.107 4.228 4.320 0.024 0.000 0.217 48 A C 2.408 179.988 177.584 -0.006 0.000 1.181 48 A CA 2.100 54.132 52.037 -0.008 0.000 0.623 48 A CB -0.746 18.252 19.000 -0.004 0.000 0.818 48 A HN 0.579 nan 8.150 nan 0.000 0.443 49 A N -0.303 122.514 122.820 -0.004 0.000 1.898 49 A HA -0.142 4.193 4.320 0.024 0.000 0.216 49 A C 2.133 179.715 177.584 -0.004 0.000 1.181 49 A CA 1.939 53.974 52.037 -0.002 0.000 0.620 49 A CB -0.453 18.547 19.000 0.000 0.000 0.819 49 A HN 0.545 nan 8.150 nan 0.000 0.442 50 K N 0.108 120.504 120.400 -0.006 0.000 2.032 50 K HA -0.192 4.143 4.320 0.024 0.000 0.209 50 K C 2.187 178.783 176.600 -0.007 0.000 1.048 50 K CA 1.745 58.028 56.287 -0.006 0.000 0.927 50 K CB -0.165 32.330 32.500 -0.009 0.000 0.712 50 K HN 0.617 nan 8.250 nan 0.000 0.441 51 R N -1.030 119.465 120.500 -0.009 0.000 2.280 51 R HA 0.103 4.458 4.340 0.024 0.000 0.195 51 R C 0.829 177.124 176.300 -0.008 0.000 0.935 51 R CA 0.827 56.921 56.100 -0.009 0.000 1.033 51 R CB 0.184 30.476 30.300 -0.013 0.000 0.964 51 R HN 0.261 nan 8.270 nan 0.000 0.489 52 G N 1.611 110.407 108.800 -0.007 0.000 2.160 52 G HA2 -0.225 3.749 3.960 0.024 0.000 0.244 52 G HA3 -0.225 3.749 3.960 0.024 0.000 0.244 52 G C -0.144 174.752 174.900 -0.007 0.000 1.022 52 G CA 0.510 45.606 45.100 -0.006 0.000 0.741 52 G HN 0.380 nan 8.290 nan 0.000 0.508 53 I N -0.106 120.458 120.570 -0.009 0.000 2.571 53 I HA 0.284 4.468 4.170 0.024 0.000 0.289 53 I C -2.393 173.716 176.117 -0.012 0.000 1.115 53 I CA -2.480 58.813 61.300 -0.011 0.000 1.045 53 I CB 2.524 40.516 38.000 -0.013 0.000 1.238 53 I HN -0.186 nan 8.210 nan 0.000 0.424 54 P HA -0.006 nan 4.420 nan 0.000 0.266 54 P C -0.627 176.663 177.300 -0.018 0.000 1.186 54 P CA 0.360 63.451 63.100 -0.015 0.000 0.767 54 P CB 0.922 32.610 31.700 -0.019 0.000 0.820 55 Q N 2.089 121.882 119.800 -0.013 0.000 3.025 55 Q HA 0.176 4.531 4.340 0.024 0.000 0.238 55 Q C -0.736 175.268 176.000 0.007 0.000 1.116 55 Q CA -0.494 55.306 55.803 -0.005 0.000 0.467 55 Q CB 0.208 28.946 28.738 0.000 0.000 5.116 55 Q HN 0.297 nan 8.270 nan 0.000 0.283 56 Y N 2.979 123.221 120.300 -0.095 0.000 2.544 56 Y HA 0.183 4.747 4.550 0.024 0.000 0.330 56 Y C -0.781 175.055 175.900 -0.107 0.000 1.136 56 Y CA 0.639 58.675 58.100 -0.107 0.000 1.417 56 Y CB 0.298 38.678 38.460 -0.133 0.000 1.229 56 Y HN 0.360 nan 8.280 nan 0.000 0.532 57 N N 8.242 126.731 118.700 -0.352 0.000 2.519 57 N HA 0.270 5.025 4.740 0.024 0.000 0.291 57 N C -2.429 172.849 175.510 -0.386 0.000 1.107 57 N CA -2.045 50.867 53.050 -0.230 0.000 0.904 57 N CB 2.099 40.506 38.487 -0.134 0.000 1.500 57 N HN 0.345 nan 8.380 nan 0.000 0.510 58 P HA 0.035 nan 4.420 nan 0.000 0.230 58 P C -0.265 176.973 177.300 -0.103 0.000 1.158 58 P CA 0.838 63.757 63.100 -0.302 0.000 0.769 58 P CB 0.552 31.888 31.700 -0.605 0.000 0.807 59 D N -0.641 119.717 120.400 -0.071 0.000 2.349 59 D HA 0.096 4.751 4.640 0.024 0.000 0.214 59 D C 0.757 177.038 176.300 -0.032 0.000 1.063 59 D CA 0.022 54.020 54.000 -0.004 0.000 0.847 59 D CB 0.252 41.068 40.800 0.026 0.000 0.933 59 D HN 0.164 nan 8.370 nan 0.000 0.513 60 I N 0.915 121.436 120.570 -0.082 0.000 2.474 60 I HA 0.271 4.456 4.170 0.024 0.000 0.287 60 I C 1.689 177.768 176.117 -0.063 0.000 1.048 60 I CA 0.419 61.672 61.300 -0.077 0.000 1.383 60 I CB 0.414 38.343 38.000 -0.118 0.000 1.412 60 I HN 0.134 nan 8.210 nan 0.000 0.531 61 G N 5.735 114.511 108.800 -0.040 0.000 2.575 61 G HA2 -0.226 3.749 3.960 0.024 0.000 0.267 61 G HA3 -0.226 3.749 3.960 0.024 0.000 0.267 61 G C 0.091 174.984 174.900 -0.012 0.000 1.264 61 G CA 0.117 45.201 45.100 -0.026 0.000 0.935 61 G HN 0.899 nan 8.290 nan 0.000 0.568 62 T N 0.184 114.735 114.554 -0.004 0.000 2.918 62 T HA 0.678 5.042 4.350 0.024 0.000 0.283 62 T C -2.175 172.543 174.700 0.031 0.000 1.001 62 T CA -0.478 61.629 62.100 0.012 0.000 1.041 62 T CB 2.083 70.957 68.868 0.009 0.000 1.028 62 T HN 0.795 nan 8.240 nan 0.000 0.511 63 P HA 0.368 nan 4.420 nan 0.000 0.284 63 P C -0.256 177.108 177.300 0.107 0.000 1.432 63 P CA -0.558 62.601 63.100 0.099 0.000 0.929 63 P CB 0.429 32.188 31.700 0.098 0.000 1.158 64 L N 2.034 123.334 121.223 0.129 0.000 2.483 64 L HA 0.233 4.588 4.340 0.024 0.000 0.275 64 L C 1.595 178.543 176.870 0.130 0.000 1.220 64 L CA 0.993 55.904 54.840 0.119 0.000 0.833 64 L CB -0.289 41.861 42.059 0.151 0.000 1.102 64 L HN 0.773 nan 8.230 nan 0.000 0.490 65 G N 0.894 109.743 108.800 0.082 0.000 2.132 65 G HA2 -0.200 3.774 3.960 0.024 0.000 0.228 65 G HA3 -0.200 3.774 3.960 0.024 0.000 0.228 65 G C 0.701 175.637 174.900 0.060 0.000 1.000 65 G CA -0.142 45.001 45.100 0.072 0.000 0.693 65 G HN 0.612 nan 8.290 nan 0.000 0.515 66 Q N -0.548 119.286 119.800 0.056 0.000 2.297 66 Q HA -0.001 4.353 4.340 0.024 0.000 0.204 66 Q C 1.820 177.824 176.000 0.007 0.000 0.962 66 Q CA 1.739 57.596 55.803 0.090 0.000 0.879 66 Q CB 0.043 28.878 28.738 0.162 0.000 0.947 66 Q HN 0.966 nan 8.270 nan 0.000 0.462 67 R N -1.595 118.901 120.500 -0.008 0.000 2.943 67 R HA 0.593 4.948 4.340 0.024 0.000 0.246 67 R C -0.303 176.056 176.300 0.099 0.000 1.201 67 R CA -0.892 55.261 56.100 0.089 0.000 1.056 67 R CB 0.579 30.875 30.300 -0.006 0.000 1.243 67 R HN -0.275 nan 8.270 nan 0.000 0.498 68 V N 2.108 122.117 119.914 0.159 0.000 2.540 68 V HA 0.026 4.160 4.120 0.024 0.000 0.297 68 V C 0.308 176.448 176.094 0.075 0.000 1.024 68 V CA 0.171 62.546 62.300 0.125 0.000 1.105 68 V CB 0.283 32.239 31.823 0.222 0.000 0.938 68 V HN 0.425 nan 8.190 nan 0.000 0.482 69 L N 7.103 128.344 121.223 0.030 0.000 2.325 69 L HA 0.355 4.709 4.340 0.024 0.000 0.284 69 L C 0.312 177.149 176.870 -0.055 0.000 1.089 69 L CA 0.145 54.992 54.840 0.012 0.000 0.836 69 L CB 0.401 42.482 42.059 0.038 0.000 1.184 69 L HN 0.576 nan 8.230 nan 0.000 0.444 70 M N 5.560 125.082 119.600 -0.129 0.000 2.255 70 M HA 0.346 4.841 4.480 0.024 0.000 0.336 70 M C -2.081 174.009 176.300 -0.349 0.000 1.135 70 M CA -1.562 53.545 55.300 -0.321 0.000 1.145 70 M CB 0.873 33.156 32.600 -0.528 0.000 1.473 70 M HN 0.280 nan 8.290 nan 0.000 0.462 71 P HA 0.245 nan 4.420 nan 0.000 0.279 71 P C -1.830 175.281 177.300 -0.315 0.000 1.252 71 P CA -0.172 62.837 63.100 -0.152 0.000 0.811 71 P CB 0.519 32.221 31.700 0.002 0.000 1.035 72 Y N -0.846 119.503 120.300 0.083 0.000 2.409 72 Y HA 0.341 4.906 4.550 0.024 0.000 0.343 72 Y C 0.948 176.791 175.900 -0.094 0.000 0.973 72 Y CA -0.631 57.481 58.100 0.021 0.000 1.064 72 Y CB 2.009 40.468 38.460 -0.001 0.000 1.207 72 Y HN 0.329 nan 8.280 nan 0.000 0.452 73 Q N 2.417 122.141 119.800 -0.127 0.000 2.288 73 Q HA 0.421 4.776 4.340 0.024 0.000 0.258 73 Q C -1.134 174.775 176.000 -0.153 0.000 0.957 73 Q CA -0.526 54.934 55.803 -0.572 0.000 0.919 73 Q CB 0.943 29.276 28.738 -0.675 0.000 1.185 73 Q HN 0.608 nan 8.270 nan 0.000 0.408 74 V N 4.040 123.897 119.914 -0.095 0.000 2.508 74 V HA 0.050 4.185 4.120 0.024 0.000 0.281 74 V C 0.129 176.241 176.094 0.031 0.000 1.041 74 V CA -0.122 62.224 62.300 0.076 0.000 1.016 74 V CB 1.163 33.064 31.823 0.131 0.000 0.984 74 V HN 0.828 nan 8.190 nan 0.000 0.478 75 S N 3.809 119.562 115.700 0.089 0.000 2.560 75 S HA 0.239 4.723 4.470 0.024 0.000 0.284 75 S C 1.190 175.820 174.600 0.049 0.000 1.327 75 S CA 0.539 58.777 58.200 0.064 0.000 1.055 75 S CB 0.590 63.850 63.200 0.100 0.000 0.868 75 S HN 1.474 nan 8.310 nan 0.000 0.506 76 T N -1.365 113.211 114.554 0.038 0.000 6.412 76 T HA -0.235 4.130 4.350 0.024 0.000 0.279 76 T C 0.120 174.824 174.700 0.007 0.000 2.177 76 T CA 1.468 63.585 62.100 0.029 0.000 3.599 76 T CB -2.702 66.183 68.868 0.029 0.000 1.259 76 T HN 1.077 nan 8.240 nan 0.000 1.146 77 T N -2.085 112.466 114.554 -0.006 0.000 2.910 77 T HA 0.657 5.022 4.350 0.024 0.000 0.287 77 T C -0.456 174.230 174.700 -0.023 0.000 1.050 77 T CA -0.316 61.777 62.100 -0.011 0.000 1.011 77 T CB 2.187 71.050 68.868 -0.009 0.000 1.195 77 T HN 0.043 nan 8.240 nan 0.000 0.540 78 D N 1.060 121.467 120.400 0.012 0.000 2.615 78 D HA 0.207 4.861 4.640 0.024 0.000 0.236 78 D C -0.304 176.054 176.300 0.097 0.000 1.233 78 D CA -0.054 53.986 54.000 0.067 0.000 0.829 78 D CB 0.442 41.307 40.800 0.109 0.000 1.024 78 D HN 0.495 nan 8.370 nan 0.000 0.490 79 T N 0.693 115.243 114.554 -0.007 0.000 2.767 79 T HA 0.286 4.651 4.350 0.024 0.000 0.288 79 T C -0.478 174.182 174.700 -0.067 0.000 0.963 79 T CA -0.192 61.935 62.100 0.047 0.000 1.019 79 T CB 0.749 69.645 68.868 0.046 0.000 0.923 79 T HN -0.054 nan 8.240 nan 0.000 0.468 80 Y N 2.429 122.767 120.300 0.063 0.000 2.341 80 Y HA 0.570 5.135 4.550 0.024 0.000 0.338 80 Y C 0.150 176.090 175.900 0.066 0.000 0.965 80 Y CA -0.889 57.248 58.100 0.061 0.000 1.108 80 Y CB 1.498 39.969 38.460 0.019 0.000 1.180 80 Y HN 0.473 nan 8.280 nan 0.000 0.458 81 V N -0.570 119.468 119.914 0.207 0.000 3.049 81 V HA 0.568 4.703 4.120 0.024 0.000 0.309 81 V C -0.475 175.733 176.094 0.191 0.000 1.148 81 V CA -1.465 60.938 62.300 0.171 0.000 0.990 81 V CB 1.891 33.807 31.823 0.156 0.000 1.039 81 V HN 0.704 nan 8.190 nan 0.000 0.430 82 E N 1.746 122.028 120.200 0.137 0.000 2.418 82 E HA 0.237 4.601 4.350 0.024 0.000 0.261 82 E C 1.309 178.067 176.600 0.263 0.000 1.070 82 E CA 0.425 56.915 56.400 0.151 0.000 0.931 82 E CB 1.080 30.816 29.700 0.059 0.000 0.954 82 E HN 1.035 nan 8.360 nan 0.000 0.439 83 G N 2.420 111.451 108.800 0.385 0.000 2.471 83 G HA2 -0.247 3.727 3.960 0.024 0.000 0.219 83 G HA3 -0.247 3.727 3.960 0.024 0.000 0.219 83 G C 0.685 175.719 174.900 0.223 0.000 1.125 83 G CA 0.691 45.996 45.100 0.342 0.000 0.775 83 G HN 0.500 nan 8.290 nan 0.000 0.548 84 D N 1.094 121.625 120.400 0.218 0.000 2.221 84 D HA -0.060 4.595 4.640 0.024 0.000 0.204 84 D C 1.423 177.863 176.300 0.233 0.000 0.982 84 D CA 1.028 55.180 54.000 0.253 0.000 0.857 84 D CB -0.021 40.930 40.800 0.251 0.000 0.934 84 D HN 0.179 nan 8.370 nan 0.000 0.475 85 D N -0.310 120.197 120.400 0.179 0.000 2.363 85 D HA 0.012 4.667 4.640 0.024 0.000 0.220 85 D C 1.379 177.767 176.300 0.146 0.000 0.994 85 D CA 0.358 54.451 54.000 0.155 0.000 0.890 85 D CB 0.106 40.984 40.800 0.131 0.000 0.906 85 D HN 0.302 nan 8.370 nan 0.000 0.530 86 L N -0.294 121.020 121.223 0.151 0.000 2.640 86 L HA 0.092 4.446 4.340 0.024 0.000 0.230 86 L C 0.911 177.846 176.870 0.108 0.000 1.123 86 L CA -0.266 54.643 54.840 0.116 0.000 0.900 86 L CB 0.080 42.208 42.059 0.116 0.000 1.146 86 L HN 0.070 nan 8.230 nan 0.000 0.484 87 H N 0.882 119.988 119.070 0.060 0.000 2.848 87 H HA -0.068 4.503 4.556 0.024 0.000 0.341 87 H C 0.950 176.277 175.328 -0.003 0.000 1.060 87 H CA 0.024 56.094 56.048 0.036 0.000 1.444 87 H CB 1.124 30.880 29.762 -0.009 0.000 1.446 87 H HN 0.242 nan 8.280 nan 0.000 0.583 88 F N 3.687 123.644 119.950 0.012 0.000 2.269 88 F HA -0.109 4.432 4.527 0.024 0.000 0.301 88 F C 1.604 177.513 175.800 0.182 0.000 1.082 88 F CA 0.650 58.685 58.000 0.058 0.000 1.360 88 F CB -0.902 38.089 39.000 -0.014 0.000 1.041 88 F HN 0.232 nan 8.300 nan 0.000 0.512 89 V N 1.482 121.085 119.914 -0.519 0.000 2.515 89 V HA -0.242 3.893 4.120 0.024 0.000 0.250 89 V C 1.471 177.461 176.094 -0.174 0.000 1.058 89 V CA 1.988 63.987 62.300 -0.502 0.000 1.064 89 V CB -0.809 30.610 31.823 -0.673 0.000 0.675 89 V HN 0.421 nan 8.190 nan 0.000 0.461 90 N N 0.481 119.136 118.700 -0.075 0.000 2.270 90 N HA 0.054 4.809 4.740 0.024 0.000 0.198 90 N C 0.238 175.780 175.510 0.054 0.000 1.117 90 N CA 0.189 53.237 53.050 -0.003 0.000 0.845 90 N CB -0.033 38.486 38.487 0.053 0.000 0.980 90 N HN 0.379 nan 8.380 nan 0.000 0.486 91 N N 0.422 119.158 118.700 0.060 0.000 2.540 91 N HA 0.265 5.019 4.740 0.024 0.000 0.275 91 N C 0.030 175.570 175.510 0.051 0.000 1.053 91 N CA -0.213 52.873 53.050 0.060 0.000 0.876 91 N CB 1.507 40.018 38.487 0.040 0.000 1.284 91 N HN -0.062 nan 8.380 nan 0.000 0.518 92 A N 2.864 125.727 122.820 0.072 0.000 2.066 92 A HA 0.113 4.448 4.320 0.024 0.000 0.218 92 A C 1.957 179.476 177.584 -0.108 0.000 1.157 92 A CA 1.453 53.551 52.037 0.102 0.000 0.670 92 A CB -0.213 18.931 19.000 0.241 0.000 0.804 92 A HN 0.677 nan 8.150 nan 0.000 0.453 93 A N -0.173 122.381 122.820 -0.442 0.000 1.898 93 A HA -0.107 4.227 4.320 0.024 0.000 0.216 93 A C 2.208 179.660 177.584 -0.219 0.000 1.181 93 A CA 1.728 53.161 52.037 -1.006 0.000 0.620 93 A CB -0.495 18.080 19.000 -0.709 0.000 0.819 93 A HN 0.519 nan 8.150 nan 0.000 0.442 94 M N -1.078 118.469 119.600 -0.090 0.000 2.132 94 M HA -0.205 4.290 4.480 0.024 0.000 0.263 94 M C 2.456 178.771 176.300 0.024 0.000 1.065 94 M CA 1.620 56.869 55.300 -0.085 0.000 1.122 94 M CB -0.431 32.075 32.600 -0.156 0.000 1.365 94 M HN 0.478 nan 8.290 nan 0.000 0.411 95 Q N -0.158 119.707 119.800 0.109 0.000 2.096 95 Q HA -0.267 4.087 4.340 0.024 0.000 0.204 95 Q C 2.087 178.187 176.000 0.167 0.000 0.982 95 Q CA 1.592 57.519 55.803 0.207 0.000 0.850 95 Q CB -0.196 28.677 28.738 0.224 0.000 0.901 95 Q HN 0.396 nan 8.270 nan 0.000 0.422 96 Q N 0.470 120.341 119.800 0.119 0.000 2.167 96 Q HA -0.100 4.254 4.340 0.024 0.000 0.202 96 Q C 1.846 177.912 176.000 0.111 0.000 0.970 96 Q CA 1.198 57.116 55.803 0.191 0.000 0.855 96 Q CB -0.096 28.889 28.738 0.412 0.000 0.911 96 Q HN 0.354 nan 8.270 nan 0.000 0.438 97 M N -1.118 118.402 119.600 -0.133 0.000 2.080 97 M HA -0.216 4.278 4.480 0.024 0.000 0.260 97 M C 1.879 178.185 176.300 0.010 0.000 1.068 97 M CA 1.971 56.959 55.300 -0.519 0.000 1.109 97 M CB -0.497 31.455 32.600 -1.081 0.000 1.342 97 M HN 0.588 nan 8.290 nan 0.000 0.405 98 W N 1.219 122.464 121.300 -0.092 0.000 2.381 98 W HA -0.219 4.455 4.660 0.024 0.000 0.301 98 W C 1.363 177.922 176.519 0.066 0.000 1.205 98 W CA 1.160 58.498 57.345 -0.012 0.000 1.285 98 W CB -0.302 29.154 29.460 -0.007 0.000 1.133 98 W HN 0.275 nan 8.180 nan 0.000 0.521 99 D N 0.927 121.212 120.400 -0.191 0.000 2.123 99 D HA -0.210 4.445 4.640 0.024 0.000 0.196 99 D C 1.475 177.655 176.300 -0.200 0.000 0.992 99 D CA 1.790 55.617 54.000 -0.289 0.000 0.833 99 D CB -0.711 40.050 40.800 -0.065 0.000 0.954 99 D HN 0.146 nan 8.370 nan 0.000 0.455 100 D N -0.148 120.271 120.400 0.031 0.000 2.178 100 D HA -0.048 4.607 4.640 0.024 0.000 0.202 100 D C 2.215 178.617 176.300 0.170 0.000 0.974 100 D CA 0.319 54.430 54.000 0.185 0.000 0.841 100 D CB -0.082 41.034 40.800 0.525 0.000 0.953 100 D HN 0.294 nan 8.370 nan 0.000 0.478 101 I N 0.028 120.645 120.570 0.078 0.000 2.235 101 I HA -0.142 4.042 4.170 0.024 0.000 0.241 101 I C 2.526 178.520 176.117 -0.204 0.000 1.085 101 I CA 0.556 61.878 61.300 0.036 0.000 1.378 101 I CB -0.143 37.878 38.000 0.034 0.000 1.076 101 I HN -0.127 nan 8.210 nan 0.000 0.415 102 R N 1.845 121.912 120.500 -0.722 0.000 2.105 102 R HA -0.188 4.167 4.340 0.024 0.000 0.239 102 R C 2.302 178.416 176.300 -0.310 0.000 1.135 102 R CA 1.615 57.270 56.100 -0.740 0.000 0.967 102 R CB -0.184 29.360 30.300 -1.260 0.000 0.861 102 R HN 0.388 nan 8.270 nan 0.000 0.442 103 R N -0.454 119.886 120.500 -0.267 0.000 2.310 103 R HA 0.090 4.444 4.340 0.024 0.000 0.202 103 R C -0.462 175.749 176.300 -0.148 0.000 0.933 103 R CA 0.409 56.392 56.100 -0.195 0.000 1.054 103 R CB 0.225 30.398 30.300 -0.213 0.000 0.985 103 R HN -0.066 nan 8.270 nan 0.000 0.489 104 T N 1.106 115.602 114.554 -0.096 0.000 2.867 104 T HA 0.450 4.815 4.350 0.024 0.000 0.282 104 T C -1.089 173.592 174.700 -0.032 0.000 1.000 104 T CA -0.489 61.550 62.100 -0.103 0.000 1.042 104 T CB 2.089 70.896 68.868 -0.102 0.000 0.973 104 T HN 0.067 nan 8.240 nan 0.000 0.465 105 V N 3.896 123.778 119.914 -0.053 0.000 3.049 105 V HA 0.652 4.787 4.120 0.024 0.000 0.309 105 V C -1.509 174.561 176.094 -0.039 0.000 1.148 105 V CA -1.008 61.275 62.300 -0.028 0.000 0.990 105 V CB 2.003 33.806 31.823 -0.033 0.000 1.039 105 V HN 0.848 nan 8.190 nan 0.000 0.430 106 I N 5.011 125.566 120.570 -0.026 0.000 2.377 106 I HA 0.617 4.801 4.170 0.024 0.000 0.293 106 I C -0.938 175.226 176.117 0.078 0.000 0.987 106 I CA -0.740 60.578 61.300 0.030 0.000 1.185 106 I CB 1.844 39.845 38.000 0.003 0.000 1.341 106 I HN 0.338 nan 8.210 nan 0.000 0.455 107 V N 5.123 125.107 119.914 0.117 0.000 2.569 107 V HA 0.458 4.593 4.120 0.024 0.000 0.301 107 V C 0.544 176.614 176.094 -0.040 0.000 1.044 107 V CA -0.753 61.574 62.300 0.046 0.000 0.874 107 V CB 1.551 33.365 31.823 -0.014 0.000 1.002 107 V HN 0.892 nan 8.190 nan 0.000 0.424 108 G N 2.825 111.476 108.800 -0.248 0.000 2.594 108 G HA2 0.409 4.383 3.960 0.024 0.000 0.243 108 G HA3 0.409 4.383 3.960 0.024 0.000 0.243 108 G C 0.360 174.855 174.900 -0.676 0.000 1.229 108 G CA -0.263 44.252 45.100 -0.975 0.000 0.843 108 G HN 0.734 nan 8.290 nan 0.000 0.578 109 L N 1.119 121.848 121.223 -0.823 0.000 2.728 109 L HA 0.134 4.489 4.340 0.024 0.000 0.238 109 L C 1.737 178.139 176.870 -0.780 0.000 1.143 109 L CA -0.241 54.126 54.840 -0.788 0.000 0.937 109 L CB 0.079 41.530 42.059 -1.013 0.000 1.225 109 L HN 0.481 nan 8.230 nan 0.000 0.507 110 N N -0.251 118.012 118.700 -0.728 0.000 2.216 110 N HA -0.126 4.628 4.740 0.024 0.000 0.183 110 N C 1.525 176.871 175.510 -0.273 0.000 1.017 110 N CA 1.285 54.038 53.050 -0.496 0.000 0.861 110 N CB -0.106 38.057 38.487 -0.540 0.000 0.986 110 N HN 0.542 nan 8.380 nan 0.000 0.428 111 H N 0.890 119.764 119.070 -0.327 0.000 2.357 111 H HA 0.078 4.649 4.556 0.024 0.000 0.301 111 H C 2.144 177.308 175.328 -0.272 0.000 1.082 111 H CA 0.939 56.832 56.048 -0.259 0.000 1.342 111 H CB 0.176 29.803 29.762 -0.225 0.000 1.389 111 H HN 0.228 nan 8.280 nan 0.000 0.511 112 A N 1.140 123.868 122.820 -0.154 0.000 1.865 112 A HA -0.236 4.098 4.320 0.024 0.000 0.217 112 A C 1.824 179.403 177.584 -0.009 0.000 1.191 112 A CA 1.805 53.811 52.037 -0.052 0.000 0.623 112 A CB -0.614 18.365 19.000 -0.036 0.000 0.826 112 A HN 0.427 nan 8.150 nan 0.000 0.444 113 H N -0.224 118.733 119.070 -0.188 0.000 2.421 113 H HA 0.034 4.605 4.556 0.024 0.000 0.298 113 H C 2.376 177.612 175.328 -0.154 0.000 1.087 113 H CA 1.079 57.003 56.048 -0.206 0.000 1.330 113 H CB -0.680 28.969 29.762 -0.188 0.000 1.388 113 H HN 0.522 nan 8.280 nan 0.000 0.526 114 A N 0.356 123.166 122.820 -0.017 0.000 1.970 114 A HA -0.031 4.304 4.320 0.024 0.000 0.216 114 A C 2.704 180.240 177.584 -0.080 0.000 1.170 114 A CA 1.083 53.093 52.037 -0.045 0.000 0.645 114 A CB -0.537 18.436 19.000 -0.046 0.000 0.816 114 A HN 0.225 nan 8.150 nan 0.000 0.447 115 V N 0.272 120.110 119.914 -0.126 0.000 2.358 115 V HA -0.251 3.883 4.120 0.024 0.000 0.246 115 V C 2.392 178.450 176.094 -0.061 0.000 1.047 115 V CA 1.922 64.119 62.300 -0.172 0.000 1.035 115 V CB -0.667 30.892 31.823 -0.440 0.000 0.658 115 V HN 0.562 nan 8.190 nan 0.000 0.452 116 I N 0.265 120.819 120.570 -0.026 0.000 2.142 116 I HA -0.279 3.906 4.170 0.024 0.000 0.240 116 I C 2.703 178.792 176.117 -0.048 0.000 1.078 116 I CA 2.173 63.443 61.300 -0.049 0.000 1.343 116 I CB -0.391 37.457 38.000 -0.253 0.000 1.046 116 I HN 0.479 nan 8.210 nan 0.000 0.405 117 E N 1.203 121.368 120.200 -0.058 0.000 2.085 117 E HA -0.260 4.105 4.350 0.024 0.000 0.194 117 E C 2.043 178.625 176.600 -0.030 0.000 0.994 117 E CA 1.317 57.694 56.400 -0.039 0.000 0.801 117 E CB 0.145 29.822 29.700 -0.039 0.000 0.743 117 E HN 0.306 nan 8.360 nan 0.000 0.453 118 K N 0.040 120.417 120.400 -0.039 0.000 2.141 118 K HA 0.083 4.418 4.320 0.024 0.000 0.202 118 K C 2.361 178.941 176.600 -0.033 0.000 1.045 118 K CA 0.439 56.703 56.287 -0.039 0.000 0.971 118 K CB -0.103 32.365 32.500 -0.053 0.000 0.795 118 K HN 0.083 nan 8.250 nan 0.000 0.459 119 R N 0.534 121.012 120.500 -0.036 0.000 2.055 119 R HA 0.183 4.537 4.340 0.024 0.000 0.221 119 R C 2.339 178.643 176.300 0.008 0.000 1.154 119 R CA 0.524 56.608 56.100 -0.026 0.000 0.975 119 R CB -0.074 30.195 30.300 -0.051 0.000 0.869 119 R HN 0.026 nan 8.270 nan 0.000 0.437 120 L N -0.201 121.043 121.223 0.034 0.000 2.395 120 L HA 0.188 4.543 4.340 0.024 0.000 0.218 120 L C 0.934 177.823 176.870 0.032 0.000 1.130 120 L CA 0.505 55.376 54.840 0.051 0.000 0.826 120 L CB -0.272 41.839 42.059 0.086 0.000 0.941 120 L HN 0.448 nan 8.230 nan 0.000 0.451 121 G N 1.495 110.304 108.800 0.015 0.000 2.351 121 G HA2 -0.259 3.716 3.960 0.024 0.000 0.297 121 G HA3 -0.259 3.716 3.960 0.024 0.000 0.297 121 G C 0.210 175.120 174.900 0.018 0.000 1.054 121 G CA 0.439 45.544 45.100 0.008 0.000 1.123 121 G HN 0.417 nan 8.290 nan 0.000 0.512 122 K N -0.652 119.761 120.400 0.021 0.000 2.066 122 K HA 0.811 5.145 4.320 0.024 0.000 0.261 122 K C 0.121 176.736 176.600 0.024 0.000 0.992 122 K CA -0.784 55.528 56.287 0.043 0.000 1.309 122 K CB 1.162 33.721 32.500 0.098 0.000 2.459 122 K HN 0.184 nan 8.250 nan 0.000 0.942 123 E N 0.817 121.042 120.200 0.040 0.000 2.748 123 E HA 0.129 4.493 4.350 0.024 0.000 0.320 123 E C -2.014 174.595 176.600 0.014 0.000 0.996 123 E CA -0.196 56.208 56.400 0.008 0.000 0.835 123 E CB 2.040 31.742 29.700 0.003 0.000 1.265 123 E HN 0.180 nan 8.360 nan 0.000 0.420 124 V N 3.234 123.119 119.914 -0.047 0.000 2.398 124 V HA 0.585 4.719 4.120 0.024 0.000 0.286 124 V C 0.297 176.336 176.094 -0.092 0.000 1.026 124 V CA -0.154 62.081 62.300 -0.108 0.000 0.868 124 V CB 1.368 32.968 31.823 -0.373 0.000 0.982 124 V HN 0.786 nan 8.190 nan 0.000 0.443 125 T N 2.416 116.944 114.554 -0.044 0.000 2.865 125 T HA 0.498 4.863 4.350 0.024 0.000 0.294 125 T C -2.462 172.243 174.700 0.008 0.000 1.119 125 T CA -2.037 60.054 62.100 -0.016 0.000 1.007 125 T CB 2.269 71.140 68.868 0.005 0.000 1.225 125 T HN 0.259 nan 8.240 nan 0.000 0.515 126 P HA -0.067 nan 4.420 nan 0.000 0.218 126 P C 0.950 178.292 177.300 0.070 0.000 1.146 126 P CA 1.161 64.296 63.100 0.058 0.000 0.813 126 P CB 0.085 31.819 31.700 0.056 0.000 0.778 127 E N -1.181 119.049 120.200 0.050 0.000 2.076 127 E HA -0.115 4.250 4.350 0.024 0.000 0.190 127 E C 2.103 178.734 176.600 0.050 0.000 0.979 127 E CA 1.846 58.275 56.400 0.049 0.000 0.807 127 E CB -1.101 28.612 29.700 0.022 0.000 0.761 127 E HN 0.372 nan 8.360 nan 0.000 0.454 128 T N -0.515 114.063 114.554 0.040 0.000 2.732 128 T HA -0.071 4.293 4.350 0.024 0.000 0.261 128 T C 2.049 176.792 174.700 0.071 0.000 1.040 128 T CA 0.728 62.835 62.100 0.012 0.000 1.145 128 T CB -0.611 68.312 68.868 0.092 0.000 0.866 128 T HN 0.030 nan 8.240 nan 0.000 0.427 129 I N 1.946 122.600 120.570 0.140 0.000 2.147 129 I HA -0.295 3.890 4.170 0.024 0.000 0.245 129 I C 2.875 179.089 176.117 0.160 0.000 1.059 129 I CA 2.007 63.426 61.300 0.199 0.000 1.320 129 I CB -0.892 37.189 38.000 0.135 0.000 1.021 129 I HN 0.349 nan 8.210 nan 0.000 0.415 130 T N -1.500 113.123 114.554 0.115 0.000 2.821 130 T HA -0.245 4.120 4.350 0.024 0.000 0.267 130 T C 1.799 176.521 174.700 0.037 0.000 1.046 130 T CA 1.700 63.864 62.100 0.105 0.000 1.139 130 T CB -0.368 68.604 68.868 0.173 0.000 0.871 130 T HN 0.463 nan 8.240 nan 0.000 0.454 131 H N 0.137 119.172 119.070 -0.059 0.000 2.321 131 H HA -0.112 4.459 4.556 0.024 0.000 0.300 131 H C 2.002 177.235 175.328 -0.159 0.000 1.087 131 H CA 1.784 57.758 56.048 -0.123 0.000 1.319 131 H CB -0.636 29.017 29.762 -0.182 0.000 1.379 131 H HN 0.455 nan 8.280 nan 0.000 0.501 132 Y N 0.471 120.564 120.300 -0.346 0.000 2.165 132 Y HA -0.211 4.353 4.550 0.024 0.000 0.286 132 Y C 2.136 177.865 175.900 -0.285 0.000 1.155 132 Y CA 1.888 59.828 58.100 -0.268 0.000 1.164 132 Y CB -0.422 38.069 38.460 0.053 0.000 0.978 132 Y HN 0.256 nan 8.280 nan 0.000 0.513 133 L N -0.226 120.697 121.223 -0.501 0.000 2.109 133 L HA -0.141 4.213 4.340 0.024 0.000 0.207 133 L C 2.508 178.827 176.870 -0.920 0.000 1.086 133 L CA 1.144 55.466 54.840 -0.863 0.000 0.760 133 L CB -0.509 40.859 42.059 -1.151 0.000 0.910 133 L HN 0.200 nan 8.230 nan 0.000 0.437 134 E N -0.169 119.670 120.200 -0.601 0.000 2.077 134 E HA -0.178 4.186 4.350 0.024 0.000 0.193 134 E C 2.144 178.600 176.600 -0.240 0.000 0.989 134 E CA 1.845 58.116 56.400 -0.215 0.000 0.800 134 E CB -0.251 29.421 29.700 -0.047 0.000 0.746 134 E HN 0.460 nan 8.360 nan 0.000 0.452 135 T N 1.181 115.502 114.554 -0.390 0.000 2.708 135 T HA -0.119 4.246 4.350 0.024 0.000 0.266 135 T C 2.001 176.538 174.700 -0.270 0.000 1.037 135 T CA 1.166 63.072 62.100 -0.323 0.000 1.146 135 T CB -0.332 68.277 68.868 -0.433 0.000 0.865 135 T HN 0.007 nan 8.240 nan 0.000 0.435 136 V N 2.183 121.808 119.914 -0.481 0.000 2.809 136 V HA -0.051 4.084 4.120 0.024 0.000 0.256 136 V C 1.978 177.966 176.094 -0.178 0.000 1.080 136 V CA 1.271 63.348 62.300 -0.372 0.000 1.102 136 V CB -0.548 30.912 31.823 -0.604 0.000 0.705 136 V HN 0.453 nan 8.190 nan 0.000 0.475 137 N N -0.567 118.049 118.700 -0.140 0.000 2.409 137 N HA -0.134 4.620 4.740 0.024 0.000 0.179 137 N C 1.624 177.182 175.510 0.079 0.000 1.032 137 N CA 1.299 54.367 53.050 0.029 0.000 0.898 137 N CB -0.066 38.508 38.487 0.144 0.000 0.971 137 N HN 0.745 nan 8.380 nan 0.000 0.441 138 H N 0.786 119.835 119.070 -0.035 0.000 2.343 138 H HA 0.176 4.747 4.556 0.024 0.000 0.303 138 H C 1.920 177.241 175.328 -0.012 0.000 1.068 138 H CA 1.742 57.780 56.048 -0.016 0.000 1.359 138 H CB -0.017 29.720 29.762 -0.041 0.000 1.402 138 H HN 0.110 nan 8.280 nan 0.000 0.515 139 A N 0.469 123.238 122.820 -0.084 0.000 1.897 139 A HA -0.084 4.251 4.320 0.024 0.000 0.215 139 A C 2.380 179.922 177.584 -0.071 0.000 1.181 139 A CA 1.586 53.550 52.037 -0.121 0.000 0.620 139 A CB -0.692 18.271 19.000 -0.062 0.000 0.821 139 A HN 0.531 nan 8.150 nan 0.000 0.443 140 M N 0.305 119.905 119.600 0.000 0.000 2.108 140 M HA -0.046 4.448 4.480 0.024 0.000 0.261 140 M C -1.269 175.204 176.300 0.287 0.000 1.066 140 M CA 1.642 57.023 55.300 0.135 0.000 1.107 140 M CB -1.047 31.620 32.600 0.111 0.000 1.356 140 M HN 0.149 nan 8.290 nan 0.000 0.406 141 P HA 0.195 nan 4.420 nan 0.000 0.237 141 P C 0.045 177.525 177.300 0.299 0.000 1.178 141 P CA 1.391 64.620 63.100 0.214 0.000 0.766 141 P CB 0.058 31.818 31.700 0.101 0.000 0.876 142 G N -1.688 107.212 108.800 0.167 0.000 2.462 142 G HA2 0.190 4.164 3.960 0.024 0.000 0.124 142 G HA3 0.190 4.164 3.960 0.024 0.000 0.124 142 G C -0.180 174.684 174.900 -0.060 0.000 1.062 142 G CA -0.340 44.806 45.100 0.076 0.000 0.764 142 G HN 0.503 nan 8.290 nan 0.000 0.485 143 A N -0.686 122.021 122.820 -0.189 0.000 2.423 143 A HA 1.095 5.429 4.320 0.024 0.000 0.304 143 A C 0.307 177.788 177.584 -0.172 0.000 1.104 143 A CA 0.181 52.053 52.037 -0.276 0.000 0.757 143 A CB 1.596 20.211 19.000 -0.642 0.000 1.313 143 A HN 2.096 nan 8.150 nan 0.000 0.423 144 A N -0.222 122.608 122.820 0.017 0.000 2.295 144 A HA 0.613 4.948 4.320 0.024 0.000 0.318 144 A C 0.684 178.365 177.584 0.162 0.000 1.134 144 A CA 0.209 52.285 52.037 0.064 0.000 0.827 144 A CB 0.686 19.709 19.000 0.037 0.000 1.136 144 A HN 1.981 nan 8.150 nan 0.000 0.493 145 V N -0.495 119.462 119.914 0.072 0.000 3.485 145 V HA 0.221 4.355 4.120 0.024 0.000 0.280 145 V C 0.692 176.788 176.094 0.003 0.000 1.495 145 V CA 0.779 63.102 62.300 0.037 0.000 1.018 145 V CB -0.328 31.509 31.823 0.023 0.000 0.818 145 V HN 0.491 nan 8.190 nan 0.000 0.436 146 V N -0.593 119.323 119.914 0.002 0.000 3.102 146 V HA 0.251 4.385 4.120 0.024 0.000 0.225 146 V C 0.953 177.049 176.094 0.003 0.000 1.301 146 V CA 0.453 62.751 62.300 -0.002 0.000 1.308 146 V CB 0.497 32.316 31.823 -0.006 0.000 1.129 146 V HN 0.445 nan 8.190 nan 0.000 0.502 147 Q N 0.933 120.736 119.800 0.006 0.000 2.306 147 Q HA 0.306 4.661 4.340 0.024 0.000 0.241 147 Q C -0.325 175.688 176.000 0.022 0.000 0.948 147 Q CA -0.146 55.666 55.803 0.014 0.000 0.886 147 Q CB 1.376 30.122 28.738 0.015 0.000 1.227 147 Q HN 0.350 nan 8.270 nan 0.000 0.457 148 E N 1.108 121.329 120.200 0.034 0.000 2.349 148 E HA -0.035 4.329 4.350 0.024 0.000 0.265 148 E C -0.591 176.074 176.600 0.109 0.000 1.064 148 E CA 0.022 56.454 56.400 0.053 0.000 0.886 148 E CB 0.398 30.132 29.700 0.056 0.000 1.036 148 E HN 0.631 nan 8.360 nan 0.000 0.413 149 H N 2.713 121.783 119.070 -0.000 0.000 2.839 149 H HA -0.139 4.432 4.556 0.024 0.000 0.298 149 H C -0.869 174.459 175.328 -0.001 0.000 1.224 149 H CA 0.667 56.715 56.048 0.000 0.000 1.144 149 H CB -0.726 29.036 29.762 -0.000 0.000 1.372 149 H HN 0.375 nan 8.280 nan 0.000 0.408 150 M N 0.870 120.479 119.600 0.014 0.000 2.274 150 M HA 0.320 4.815 4.480 0.024 0.000 0.344 150 M C 0.903 177.186 176.300 -0.029 0.000 1.161 150 M CA -0.511 54.797 55.300 0.013 0.000 1.126 150 M CB 1.468 34.070 32.600 0.003 0.000 1.522 150 M HN 0.153 nan 8.290 nan 0.000 0.461 151 V N 0.361 120.273 119.914 -0.002 0.000 2.581 151 V HA 0.737 4.871 4.120 0.024 0.000 0.303 151 V C -0.499 175.593 176.094 -0.003 0.000 1.041 151 V CA -0.617 61.678 62.300 -0.009 0.000 0.907 151 V CB 1.934 33.767 31.823 0.016 0.000 0.994 151 V HN 0.910 nan 8.190 nan 0.000 0.442 152 E N 1.530 121.728 120.200 -0.003 0.000 2.392 152 E HA 0.554 4.918 4.350 0.024 0.000 0.269 152 E C -0.622 175.995 176.600 0.028 0.000 0.924 152 E CA -0.841 55.557 56.400 -0.002 0.000 0.784 152 E CB 2.245 31.931 29.700 -0.023 0.000 1.292 152 E HN 0.977 nan 8.360 nan 0.000 0.447 153 T N -1.251 113.335 114.554 0.054 0.000 2.898 153 T HA 0.041 4.405 4.350 0.024 0.000 0.301 153 T C 0.176 174.936 174.700 0.101 0.000 1.049 153 T CA -0.604 61.558 62.100 0.104 0.000 1.095 153 T CB 0.647 69.607 68.868 0.154 0.000 0.976 153 T HN 0.389 nan 8.240 nan 0.000 0.539 154 H N 3.379 122.472 119.070 0.039 0.000 2.955 154 H HA 0.202 4.772 4.556 0.024 0.000 0.290 154 H C -1.916 173.430 175.328 0.030 0.000 1.047 154 H CA -2.142 53.923 56.048 0.030 0.000 1.484 154 H CB 1.105 30.884 29.762 0.029 0.000 1.501 154 H HN 0.399 nan 8.280 nan 0.000 0.521 155 P HA -0.141 nan 4.420 nan 0.000 0.217 155 P C 0.973 178.404 177.300 0.219 0.000 1.148 155 P CA 2.041 65.246 63.100 0.174 0.000 0.828 155 P CB 0.189 31.946 31.700 0.096 0.000 0.783 156 A N -1.180 121.861 122.820 0.368 0.000 2.067 156 A HA -0.048 4.287 4.320 0.024 0.000 0.217 156 A C 2.042 179.633 177.584 0.011 0.000 1.156 156 A CA 0.841 52.954 52.037 0.127 0.000 0.683 156 A CB -1.346 17.692 19.000 0.063 0.000 0.808 156 A HN 0.133 nan 8.150 nan 0.000 0.455 157 L N -0.261 120.957 121.223 -0.009 0.000 2.291 157 L HA -0.058 4.296 4.340 0.024 0.000 0.214 157 L C 1.402 178.283 176.870 0.019 0.000 1.120 157 L CA 1.036 55.861 54.840 -0.024 0.000 0.799 157 L CB -0.023 42.026 42.059 -0.017 0.000 0.925 157 L HN 0.409 nan 8.230 nan 0.000 0.446 158 V N -4.971 114.976 119.914 0.055 0.000 2.915 158 V HA 0.439 4.573 4.120 0.024 0.000 0.364 158 V C 1.454 177.588 176.094 0.066 0.000 1.354 158 V CA 0.217 62.545 62.300 0.046 0.000 1.213 158 V CB 0.021 31.883 31.823 0.066 0.000 1.268 158 V HN 0.114 nan 8.190 nan 0.000 0.557 159 A N 1.442 124.302 122.820 0.067 0.000 2.168 159 A HA -0.067 4.267 4.320 0.024 0.000 0.215 159 A C 1.794 179.445 177.584 0.112 0.000 1.152 159 A CA 1.428 53.514 52.037 0.082 0.000 0.716 159 A CB -0.325 18.712 19.000 0.061 0.000 0.794 159 A HN 0.795 nan 8.150 nan 0.000 0.465 160 D N -0.942 119.521 120.400 0.105 0.000 2.350 160 D HA 0.040 4.694 4.640 0.024 0.000 0.213 160 D C 0.646 177.041 176.300 0.157 0.000 1.031 160 D CA 0.468 54.560 54.000 0.153 0.000 0.861 160 D CB -0.238 40.621 40.800 0.098 0.000 0.926 160 D HN 0.204 nan 8.370 nan 0.000 0.520 161 S N -0.140 115.621 115.700 0.101 0.000 2.525 161 S HA 0.518 5.003 4.470 0.024 0.000 0.278 161 S C -0.919 173.773 174.600 0.153 0.000 1.234 161 S CA -0.637 57.565 58.200 0.002 0.000 1.058 161 S CB 0.198 63.388 63.200 -0.017 0.000 0.983 161 S HN 0.371 nan 8.310 nan 0.000 0.495 162 Y N 0.490 120.810 120.300 0.032 0.000 2.852 162 Y HA 0.652 5.216 4.550 0.024 0.000 0.350 162 Y C -1.999 173.929 175.900 0.046 0.000 1.272 162 Y CA -1.352 56.781 58.100 0.054 0.000 1.086 162 Y CB 0.533 39.038 38.460 0.075 0.000 1.408 162 Y HN 0.284 nan 8.280 nan 0.000 0.447 163 V N 2.050 122.136 119.914 0.287 0.000 2.525 163 V HA 0.531 4.666 4.120 0.024 0.000 0.299 163 V C -0.555 175.723 176.094 0.307 0.000 1.034 163 V CA -0.970 61.429 62.300 0.166 0.000 0.863 163 V CB 1.459 33.307 31.823 0.042 0.000 0.999 163 V HN 0.749 nan 8.190 nan 0.000 0.423 164 K N 2.455 123.038 120.400 0.305 0.000 2.306 164 K HA 0.899 5.234 4.320 0.024 0.000 0.236 164 K C -0.912 175.817 176.600 0.214 0.000 1.013 164 K CA -0.820 55.653 56.287 0.309 0.000 0.857 164 K CB 2.599 35.305 32.500 0.343 0.000 1.214 164 K HN 0.579 nan 8.250 nan 0.000 0.449 165 V N -1.318 118.730 119.914 0.222 0.000 3.001 165 V HA 0.794 4.928 4.120 0.024 0.000 0.314 165 V C -1.007 175.232 176.094 0.240 0.000 1.099 165 V CA -0.915 61.465 62.300 0.134 0.000 0.989 165 V CB 1.194 33.067 31.823 0.084 0.000 1.040 165 V HN 0.774 nan 8.190 nan 0.000 0.434 166 F N -0.612 119.429 119.950 0.152 0.000 2.643 166 F HA 0.960 5.501 4.527 0.025 0.000 0.314 166 F C -0.504 175.389 175.800 0.156 0.000 1.096 166 F CA -0.482 57.601 58.000 0.137 0.000 0.953 166 F CB 1.679 40.744 39.000 0.108 0.000 1.345 166 F HN 0.899 nan 8.300 nan 0.000 0.468 167 T N -0.447 114.335 114.554 0.379 0.000 2.885 167 T HA 0.477 4.841 4.350 0.024 0.000 0.322 167 T C 0.386 175.226 174.700 0.232 0.000 1.387 167 T CA -0.069 62.184 62.100 0.255 0.000 1.041 167 T CB 1.356 70.301 68.868 0.128 0.000 1.287 167 T HN 1.224 nan 8.240 nan 0.000 0.491 168 G N 2.119 111.029 108.800 0.183 0.000 2.744 168 G HA2 0.066 4.040 3.960 0.024 0.000 0.211 168 G HA3 0.066 4.040 3.960 0.024 0.000 0.211 168 G C 0.613 175.565 174.900 0.086 0.000 1.143 168 G CA -0.118 45.050 45.100 0.113 0.000 0.788 168 G HN 0.671 nan 8.290 nan 0.000 0.534 169 N N 1.150 119.904 118.700 0.090 0.000 2.437 169 N HA 0.071 4.825 4.740 0.024 0.000 0.243 169 N C 0.030 175.584 175.510 0.072 0.000 1.041 169 N CA -0.334 52.758 53.050 0.069 0.000 0.940 169 N CB 0.970 39.492 38.487 0.059 0.000 1.133 169 N HN -0.082 nan 8.380 nan 0.000 0.506 170 D N 2.781 123.218 120.400 0.063 0.000 2.178 170 D HA -0.144 4.510 4.640 0.024 0.000 0.201 170 D C 0.988 177.323 176.300 0.059 0.000 0.980 170 D CA 1.332 55.370 54.000 0.063 0.000 0.842 170 D CB 0.442 41.274 40.800 0.052 0.000 0.948 170 D HN 0.614 nan 8.370 nan 0.000 0.472 171 E N -0.040 120.190 120.200 0.051 0.000 2.107 171 E HA -0.072 4.292 4.350 0.024 0.000 0.191 171 E C 2.040 178.671 176.600 0.052 0.000 0.982 171 E CA 0.288 56.715 56.400 0.046 0.000 0.809 171 E CB -0.076 29.646 29.700 0.037 0.000 0.756 171 E HN 0.207 nan 8.360 nan 0.000 0.459 172 I N 0.580 121.184 120.570 0.057 0.000 2.202 172 I HA -0.218 3.966 4.170 0.024 0.000 0.242 172 I C 2.169 178.337 176.117 0.084 0.000 1.091 172 I CA 1.380 62.720 61.300 0.066 0.000 1.368 172 I CB -0.711 37.329 38.000 0.067 0.000 1.058 172 I HN 0.060 nan 8.210 nan 0.000 0.410 173 A N 0.014 122.891 122.820 0.094 0.000 1.933 173 A HA -0.210 4.125 4.320 0.024 0.000 0.218 173 A C 1.933 179.576 177.584 0.098 0.000 1.175 173 A CA 2.025 54.130 52.037 0.113 0.000 0.628 173 A CB -0.686 18.389 19.000 0.124 0.000 0.814 173 A HN 0.381 nan 8.150 nan 0.000 0.444 174 D N -0.962 119.485 120.400 0.079 0.000 2.224 174 D HA -0.070 4.585 4.640 0.024 0.000 0.205 174 D C 1.792 178.128 176.300 0.060 0.000 0.965 174 D CA 1.280 55.319 54.000 0.064 0.000 0.852 174 D CB -0.156 40.675 40.800 0.053 0.000 0.947 174 D HN 0.756 nan 8.370 nan 0.000 0.494 175 E N -0.170 120.069 120.200 0.065 0.000 2.299 175 E HA 0.019 4.383 4.350 0.024 0.000 0.193 175 E C 0.614 177.263 176.600 0.082 0.000 0.998 175 E CA 0.029 56.467 56.400 0.063 0.000 0.851 175 E CB 0.306 30.039 29.700 0.055 0.000 0.795 175 E HN 0.161 nan 8.360 nan 0.000 0.492 176 I N 1.892 122.527 120.570 0.108 0.000 2.779 176 I HA -0.051 4.134 4.170 0.024 0.000 0.285 176 I C 0.547 176.748 176.117 0.140 0.000 1.134 176 I CA -0.546 60.848 61.300 0.157 0.000 1.398 176 I CB 0.434 38.550 38.000 0.193 0.000 1.404 176 I HN 0.078 nan 8.210 nan 0.000 0.587 177 D N 7.232 127.734 120.400 0.170 0.000 2.531 177 D HA -0.031 4.624 4.640 0.024 0.000 0.239 177 D C -1.555 174.723 176.300 -0.036 0.000 1.144 177 D CA -1.401 52.610 54.000 0.018 0.000 0.869 177 D CB 1.119 41.871 40.800 -0.079 0.000 1.160 177 D HN 0.210 nan 8.370 nan 0.000 0.484 178 P HA -0.084 nan 4.420 nan 0.000 0.228 178 P C 0.857 178.090 177.300 -0.111 0.000 1.151 178 P CA 0.744 63.821 63.100 -0.038 0.000 0.770 178 P CB 0.068 31.747 31.700 -0.035 0.000 0.786 179 A N -0.670 121.973 122.820 -0.295 0.000 2.019 179 A HA -0.115 4.220 4.320 0.024 0.000 0.219 179 A C 1.461 178.845 177.584 -0.332 0.000 1.164 179 A CA 1.178 52.964 52.037 -0.419 0.000 0.644 179 A CB -1.381 17.203 19.000 -0.693 0.000 0.805 179 A HN 0.113 nan 8.150 nan 0.000 0.449 180 F N -1.006 118.962 119.950 0.030 0.000 2.727 180 F HA 0.308 4.850 4.527 0.024 0.000 0.302 180 F C 0.249 176.106 175.800 0.094 0.000 1.097 180 F CA -0.588 57.449 58.000 0.061 0.000 1.330 180 F CB 0.015 39.059 39.000 0.072 0.000 1.084 180 F HN -0.150 nan 8.300 nan 0.000 0.578 181 V N 1.817 121.859 119.914 0.213 0.000 2.495 181 V HA 0.319 4.454 4.120 0.024 0.000 0.298 181 V C 0.146 176.348 176.094 0.179 0.000 1.031 181 V CA -1.044 61.382 62.300 0.211 0.000 0.871 181 V CB 2.451 34.376 31.823 0.170 0.000 0.988 181 V HN -0.048 nan 8.190 nan 0.000 0.432 182 I N 4.149 124.858 120.570 0.231 0.000 2.308 182 I HA 0.176 4.360 4.170 0.024 0.000 0.293 182 I C 0.136 176.370 176.117 0.195 0.000 1.078 182 I CA 0.074 61.493 61.300 0.198 0.000 1.292 182 I CB 0.481 38.614 38.000 0.223 0.000 1.423 182 I HN 0.575 nan 8.210 nan 0.000 0.493 183 D N 7.406 127.893 120.400 0.145 0.000 2.365 183 D HA 0.170 4.825 4.640 0.024 0.000 0.237 183 D C 1.064 177.463 176.300 0.165 0.000 1.190 183 D CA -0.095 53.988 54.000 0.138 0.000 0.867 183 D CB 1.057 41.915 40.800 0.097 0.000 1.050 183 D HN 0.434 nan 8.370 nan 0.000 0.491 184 I N 3.131 123.808 120.570 0.178 0.000 2.286 184 I HA -0.253 3.932 4.170 0.024 0.000 0.248 184 I C 1.966 178.232 176.117 0.249 0.000 1.115 184 I CA 0.469 61.913 61.300 0.240 0.000 1.392 184 I CB -0.121 37.917 38.000 0.063 0.000 1.065 184 I HN 0.367 nan 8.210 nan 0.000 0.418 185 N N 1.113 119.899 118.700 0.144 0.000 2.309 185 N HA -0.136 4.618 4.740 0.024 0.000 0.182 185 N C 1.693 177.265 175.510 0.102 0.000 1.018 185 N CA 1.102 54.219 53.050 0.112 0.000 0.876 185 N CB -0.106 38.427 38.487 0.077 0.000 0.972 185 N HN 0.457 nan 8.380 nan 0.000 0.434 186 K N 0.371 120.827 120.400 0.094 0.000 2.167 186 K HA 0.064 4.399 4.320 0.024 0.000 0.203 186 K C 1.419 178.033 176.600 0.024 0.000 1.052 186 K CA 0.674 56.994 56.287 0.055 0.000 0.956 186 K CB 0.255 32.781 32.500 0.044 0.000 0.735 186 K HN 0.078 nan 8.250 nan 0.000 0.451 187 Q N -0.827 118.986 119.800 0.022 0.000 2.352 187 Q HA 0.173 4.527 4.340 0.024 0.000 0.212 187 Q C -0.345 175.392 176.000 -0.438 0.000 0.888 187 Q CA 0.442 56.125 55.803 -0.200 0.000 0.934 187 Q CB 0.648 29.218 28.738 -0.279 0.000 1.093 187 Q HN 0.089 nan 8.270 nan 0.000 0.523 188 F N 1.784 121.735 119.950 0.002 0.000 2.532 188 F HA 0.420 4.961 4.527 0.024 0.000 0.321 188 F C -1.987 173.781 175.800 -0.053 0.000 1.089 188 F CA -2.654 55.333 58.000 -0.022 0.000 0.926 188 F CB 1.653 40.630 39.000 -0.038 0.000 1.168 188 F HN -0.189 nan 8.300 nan 0.000 0.459 189 P HA -0.014 nan 4.420 nan 0.000 0.270 189 P C 0.425 177.701 177.300 -0.041 0.000 1.223 189 P CA 0.043 63.089 63.100 -0.090 0.000 0.785 189 P CB 1.018 32.436 31.700 -0.470 0.000 0.923 190 E N 1.166 121.345 120.200 -0.035 0.000 2.097 190 E HA -0.275 4.089 4.350 0.024 0.000 0.196 190 E C 1.310 177.898 176.600 -0.020 0.000 1.000 190 E CA 1.897 58.292 56.400 -0.008 0.000 0.804 190 E CB -0.218 29.482 29.700 -0.001 0.000 0.740 190 E HN 0.510 nan 8.360 nan 0.000 0.454 191 D N 0.290 120.660 120.400 -0.050 0.000 2.084 191 D HA -0.258 4.396 4.640 0.024 0.000 0.194 191 D C 1.897 178.173 176.300 -0.041 0.000 0.990 191 D CA 1.410 55.384 54.000 -0.044 0.000 0.826 191 D CB -0.730 40.036 40.800 -0.057 0.000 0.971 191 D HN 0.372 nan 8.370 nan 0.000 0.453 192 Q N 0.386 120.154 119.800 -0.054 0.000 2.119 192 Q HA -0.004 4.351 4.340 0.024 0.000 0.201 192 Q C 2.466 178.424 176.000 -0.071 0.000 0.972 192 Q CA 1.434 57.217 55.803 -0.034 0.000 0.847 192 Q CB -0.217 28.546 28.738 0.042 0.000 0.903 192 Q HN 0.450 nan 8.270 nan 0.000 0.433 193 A N 1.272 124.083 122.820 -0.014 0.000 1.902 193 A HA -0.210 4.124 4.320 0.024 0.000 0.217 193 A C 1.932 179.485 177.584 -0.053 0.000 1.181 193 A CA 1.322 53.337 52.037 -0.037 0.000 0.623 193 A CB -0.273 18.762 19.000 0.059 0.000 0.818 193 A HN 0.180 nan 8.150 nan 0.000 0.443 194 E N -0.432 119.753 120.200 -0.025 0.000 2.106 194 E HA -0.101 4.264 4.350 0.024 0.000 0.192 194 E C 2.158 178.748 176.600 -0.016 0.000 0.984 194 E CA 1.570 57.961 56.400 -0.014 0.000 0.806 194 E CB -0.813 28.885 29.700 -0.003 0.000 0.750 194 E HN 0.587 nan 8.360 nan 0.000 0.458 195 T N 1.734 116.277 114.554 -0.018 0.000 2.708 195 T HA -0.082 4.282 4.350 0.024 0.000 0.266 195 T C 2.117 176.815 174.700 -0.003 0.000 1.037 195 T CA 0.855 62.963 62.100 0.014 0.000 1.146 195 T CB -0.219 68.670 68.868 0.035 0.000 0.865 195 T HN 0.083 nan 8.240 nan 0.000 0.435 196 L N 0.290 121.455 121.223 -0.096 0.000 2.093 196 L HA -0.066 4.289 4.340 0.024 0.000 0.208 196 L C 2.624 179.406 176.870 -0.146 0.000 1.085 196 L CA 1.334 56.052 54.840 -0.203 0.000 0.755 196 L CB -0.383 41.401 42.059 -0.458 0.000 0.904 196 L HN 0.205 nan 8.230 nan 0.000 0.435 197 K N -0.045 120.302 120.400 -0.089 0.000 2.097 197 K HA -0.083 4.252 4.320 0.024 0.000 0.205 197 K C 2.256 178.854 176.600 -0.004 0.000 1.050 197 K CA 1.143 57.416 56.287 -0.024 0.000 0.938 197 K CB -0.226 32.275 32.500 0.002 0.000 0.718 197 K HN 0.254 nan 8.250 nan 0.000 0.442 198 A N 1.822 124.639 122.820 -0.005 0.000 1.940 198 A HA -0.202 4.132 4.320 0.024 0.000 0.219 198 A C 1.898 179.484 177.584 0.004 0.000 1.176 198 A CA 1.519 53.562 52.037 0.010 0.000 0.631 198 A CB -0.259 18.752 19.000 0.018 0.000 0.814 198 A HN 0.178 nan 8.150 nan 0.000 0.446 199 E N -0.287 119.897 120.200 -0.026 0.000 2.106 199 E HA -0.080 4.284 4.350 0.024 0.000 0.192 199 E C 2.144 178.709 176.600 -0.059 0.000 0.984 199 E CA 1.265 57.625 56.400 -0.067 0.000 0.806 199 E CB -0.389 29.193 29.700 -0.197 0.000 0.750 199 E HN 0.440 nan 8.360 nan 0.000 0.458 200 V N 0.209 120.107 119.914 -0.027 0.000 2.488 200 V HA -0.016 4.118 4.120 0.024 0.000 0.246 200 V C 1.629 177.793 176.094 0.117 0.000 1.046 200 V CA 1.066 63.411 62.300 0.075 0.000 1.053 200 V CB -0.977 30.947 31.823 0.169 0.000 0.679 200 V HN 0.410 nan 8.190 nan 0.000 0.458 201 G N 0.959 109.803 108.800 0.073 0.000 2.596 201 G HA2 -0.357 3.617 3.960 0.024 0.000 0.295 201 G HA3 -0.357 3.617 3.960 0.024 0.000 0.295 201 G C 0.342 175.291 174.900 0.081 0.000 1.240 201 G CA 0.522 45.662 45.100 0.066 0.000 0.985 201 G HN 0.381 nan 8.290 nan 0.000 0.555 202 D N 1.967 122.404 120.400 0.061 0.000 2.349 202 D HA 0.250 4.904 4.640 0.024 0.000 0.224 202 D C 1.635 177.953 176.300 0.030 0.000 1.029 202 D CA 1.028 55.055 54.000 0.046 0.000 0.879 202 D CB -0.605 40.211 40.800 0.027 0.000 0.906 202 D HN 0.740 nan 8.370 nan 0.000 0.528 203 G N 0.552 109.390 108.800 0.063 0.000 2.554 203 G HA2 0.346 4.321 3.960 0.024 0.000 0.238 203 G HA3 0.346 4.321 3.960 0.024 0.000 0.238 203 G C -0.076 174.779 174.900 -0.075 0.000 1.259 203 G CA -0.248 44.843 45.100 -0.015 0.000 0.843 203 G HN 0.133 nan 8.290 nan 0.000 0.582 204 I N 0.494 120.818 120.570 -0.411 0.000 2.466 204 I HA 0.371 4.556 4.170 0.024 0.000 0.289 204 I C -1.162 174.471 176.117 -0.806 0.000 1.026 204 I CA -0.540 60.537 61.300 -0.371 0.000 1.078 204 I CB 2.125 39.990 38.000 -0.225 0.000 1.249 204 I HN 0.480 nan 8.210 nan 0.000 0.429 205 W N 4.347 125.283 121.300 -0.605 0.000 2.785 205 W HA 0.507 5.182 4.660 0.025 0.000 0.333 205 W C -0.557 175.605 176.519 -0.596 0.000 1.062 205 W CA -0.428 56.502 57.345 -0.693 0.000 1.233 205 W CB 1.570 30.360 29.460 -1.117 0.000 1.413 205 W HN 0.304 nan 8.180 nan 0.000 0.489 206 Q N 1.298 121.022 119.800 -0.127 0.000 2.259 206 Q HA 0.530 4.884 4.340 0.024 0.000 0.249 206 Q C -0.748 175.270 176.000 0.029 0.000 0.914 206 Q CA -0.711 55.074 55.803 -0.030 0.000 0.904 206 Q CB 1.943 30.684 28.738 0.006 0.000 1.213 206 Q HN 0.226 nan 8.270 nan 0.000 0.428 207 V N 3.253 123.207 119.914 0.067 0.000 2.334 207 V HA 0.262 4.396 4.120 0.024 0.000 0.281 207 V C -0.469 175.599 176.094 -0.043 0.000 1.016 207 V CA -0.635 61.684 62.300 0.032 0.000 0.832 207 V CB 1.403 33.270 31.823 0.075 0.000 0.999 207 V HN 0.502 nan 8.190 nan 0.000 0.439 208 V N 6.586 126.451 119.914 -0.081 0.000 2.394 208 V HA 0.537 4.672 4.120 0.024 0.000 0.282 208 V C 0.155 176.126 176.094 -0.205 0.000 1.031 208 V CA -0.690 61.544 62.300 -0.109 0.000 0.881 208 V CB 1.686 33.493 31.823 -0.027 0.000 0.982 208 V HN 0.781 nan 8.190 nan 0.000 0.451 209 R N 5.152 125.456 120.500 -0.326 0.000 2.388 209 R HA 0.556 4.910 4.340 0.024 0.000 0.314 209 R C -0.349 175.777 176.300 -0.289 0.000 0.959 209 R CA -0.542 55.336 56.100 -0.371 0.000 0.851 209 R CB 1.967 31.922 30.300 -0.575 0.000 1.168 209 R HN 0.839 nan 8.270 nan 0.000 0.472 210 I N -0.153 120.254 120.570 -0.271 0.000 3.021 210 I HA 0.501 4.686 4.170 0.024 0.000 0.303 210 I C -2.310 173.575 176.117 -0.387 0.000 1.044 210 I CA -2.715 58.340 61.300 -0.408 0.000 1.266 210 I CB 0.629 38.220 38.000 -0.681 0.000 1.447 210 I HN 0.246 nan 8.210 nan 0.000 0.593 211 P HA 0.133 nan 4.420 nan 0.000 0.271 211 P C 0.190 177.340 177.300 -0.250 0.000 1.216 211 P CA -0.092 62.838 63.100 -0.283 0.000 0.771 211 P CB 0.874 32.407 31.700 -0.279 0.000 0.864 212 T N 2.528 117.002 114.554 -0.134 0.000 2.759 212 T HA -0.171 4.194 4.350 0.024 0.000 0.269 212 T C 1.608 176.254 174.700 -0.090 0.000 1.042 212 T CA 1.065 63.109 62.100 -0.094 0.000 1.140 212 T CB -0.688 68.170 68.868 -0.016 0.000 0.864 212 T HN 0.425 nan 8.240 nan 0.000 0.455 213 I N 0.772 121.294 120.570 -0.081 0.000 2.454 213 I HA -0.141 4.043 4.170 0.024 0.000 0.254 213 I C 2.002 178.068 176.117 -0.086 0.000 1.156 213 I CA 0.975 62.241 61.300 -0.056 0.000 1.433 213 I CB 0.069 38.049 38.000 -0.034 0.000 1.082 213 I HN 0.080 nan 8.210 nan 0.000 0.432 214 V N -0.647 119.158 119.914 -0.182 0.000 2.446 214 V HA -0.192 3.943 4.120 0.024 0.000 0.244 214 V C 2.454 178.453 176.094 -0.159 0.000 1.039 214 V CA 1.751 63.922 62.300 -0.216 0.000 1.045 214 V CB -0.114 31.375 31.823 -0.556 0.000 0.681 214 V HN 0.425 nan 8.190 nan 0.000 0.459 215 S N -0.290 115.298 115.700 -0.186 0.000 2.370 215 S HA -0.211 4.273 4.470 0.024 0.000 0.226 215 S C 2.189 176.762 174.600 -0.044 0.000 1.033 215 S CA 1.678 59.802 58.200 -0.127 0.000 1.011 215 S CB -0.180 62.914 63.200 -0.176 0.000 0.852 215 S HN 0.543 nan 8.310 nan 0.000 0.457 216 R N -0.248 120.232 120.500 -0.032 0.000 2.090 216 R HA -0.001 4.354 4.340 0.024 0.000 0.228 216 R C 2.434 178.751 176.300 0.028 0.000 1.110 216 R CA 1.709 57.821 56.100 0.020 0.000 0.973 216 R CB -0.764 29.552 30.300 0.026 0.000 0.869 216 R HN 0.347 nan 8.270 nan 0.000 0.440 217 T N 0.234 114.796 114.554 0.013 0.000 2.867 217 T HA -0.098 4.266 4.350 0.024 0.000 0.268 217 T C 1.479 176.204 174.700 0.043 0.000 1.057 217 T CA 0.903 63.020 62.100 0.029 0.000 1.136 217 T CB -0.009 68.876 68.868 0.028 0.000 0.874 217 T HN 0.275 nan 8.240 nan 0.000 0.466 218 C N 0.804 120.129 119.300 0.041 0.000 2.769 218 C HA 0.598 5.073 4.460 0.024 0.000 0.086 218 C C -0.025 175.013 174.990 0.081 0.000 2.496 218 C CA -0.550 58.505 59.018 0.063 0.000 1.923 218 C CB 0.675 28.457 27.740 0.071 0.000 2.940 218 C HN 0.704 nan 8.230 nan 0.000 0.347 219 D N -1.104 119.351 120.400 0.092 0.000 2.677 219 D HA 0.304 4.958 4.640 0.024 0.000 0.298 219 D C 0.560 176.931 176.300 0.119 0.000 1.250 219 D CA 0.189 54.272 54.000 0.138 0.000 0.888 219 D CB 0.548 41.444 40.800 0.160 0.000 1.397 219 D HN 0.490 nan 8.370 nan 0.000 0.461 220 G N -0.495 108.408 108.800 0.171 0.000 2.443 220 G HA2 0.040 4.015 3.960 0.024 0.000 0.219 220 G HA3 0.040 4.015 3.960 0.024 0.000 0.219 220 G C 1.261 176.230 174.900 0.115 0.000 1.131 220 G CA 1.004 46.179 45.100 0.124 0.000 0.775 220 G HN 0.698 nan 8.290 nan 0.000 0.547 221 A N 0.142 123.034 122.820 0.121 0.000 2.209 221 A HA 0.143 4.478 4.320 0.024 0.000 0.212 221 A C 2.357 180.015 177.584 0.124 0.000 1.158 221 A CA 1.873 53.972 52.037 0.104 0.000 0.742 221 A CB -0.468 18.581 19.000 0.082 0.000 0.790 221 A HN 0.241 nan 8.150 nan 0.000 0.472 222 T N -0.259 114.369 114.554 0.123 0.000 2.904 222 T HA -0.092 4.272 4.350 0.024 0.000 0.267 222 T C 1.976 176.779 174.700 0.173 0.000 1.059 222 T CA 1.819 64.010 62.100 0.152 0.000 1.137 222 T CB -0.311 68.636 68.868 0.131 0.000 0.879 222 T HN 0.544 nan 8.240 nan 0.000 0.467 223 T N 2.286 116.912 114.554 0.119 0.000 2.708 223 T HA -0.131 4.233 4.350 0.024 0.000 0.266 223 T C 2.437 177.231 174.700 0.157 0.000 1.037 223 T CA 1.749 63.906 62.100 0.095 0.000 1.146 223 T CB -0.453 68.442 68.868 0.046 0.000 0.865 223 T HN 0.612 nan 8.240 nan 0.000 0.435 224 S N 1.390 117.201 115.700 0.185 0.000 2.453 224 S HA 0.030 4.514 4.470 0.024 0.000 0.231 224 S C 1.984 176.679 174.600 0.158 0.000 1.005 224 S CA 0.318 58.610 58.200 0.154 0.000 0.949 224 S CB -0.254 63.059 63.200 0.189 0.000 0.774 224 S HN 0.418 nan 8.310 nan 0.000 0.510 225 R N -0.081 120.528 120.500 0.183 0.000 2.062 225 R HA 0.014 4.368 4.340 0.024 0.000 0.229 225 R C 2.178 178.581 176.300 0.172 0.000 1.128 225 R CA 1.298 57.489 56.100 0.151 0.000 0.960 225 R CB -0.473 29.913 30.300 0.142 0.000 0.855 225 R HN 0.568 nan 8.270 nan 0.000 0.432 226 W N 1.845 123.162 121.300 0.028 0.000 2.335 226 W HA -0.211 4.464 4.660 0.024 0.000 0.311 226 W C 2.206 178.727 176.519 0.003 0.000 1.213 226 W CA 1.917 59.270 57.345 0.013 0.000 1.274 226 W CB -0.739 28.725 29.460 0.007 0.000 1.148 226 W HN 0.076 nan 8.180 nan 0.000 0.498 227 S N 0.820 116.734 115.700 0.357 0.000 2.359 227 S HA -0.242 4.242 4.470 0.024 0.000 0.223 227 S C 2.134 176.798 174.600 0.106 0.000 1.039 227 S CA 2.781 61.105 58.200 0.208 0.000 1.042 227 S CB -0.800 62.476 63.200 0.126 0.000 0.915 227 S HN 0.269 nan 8.310 nan 0.000 0.439 228 A N 1.396 124.265 122.820 0.083 0.000 1.969 228 A HA 0.049 4.384 4.320 0.024 0.000 0.218 228 A C 2.259 179.857 177.584 0.023 0.000 1.169 228 A CA 1.550 53.620 52.037 0.055 0.000 0.635 228 A CB -0.536 18.499 19.000 0.058 0.000 0.810 228 A HN 0.566 nan 8.150 nan 0.000 0.445 229 M N -0.518 119.068 119.600 -0.024 0.000 2.117 229 M HA -0.120 4.374 4.480 0.024 0.000 0.262 229 M C 2.031 178.275 176.300 -0.093 0.000 1.065 229 M CA 1.324 56.572 55.300 -0.087 0.000 1.114 229 M CB -1.300 31.180 32.600 -0.199 0.000 1.361 229 M HN 0.382 nan 8.290 nan 0.000 0.408 230 Q N -0.390 119.350 119.800 -0.100 0.000 2.302 230 Q HA 0.165 4.519 4.340 0.024 0.000 0.202 230 Q C 2.253 178.241 176.000 -0.020 0.000 0.936 230 Q CA 0.734 56.485 55.803 -0.087 0.000 0.886 230 Q CB -0.140 28.545 28.738 -0.087 0.000 0.986 230 Q HN 0.535 nan 8.270 nan 0.000 0.487 231 I N 0.539 121.130 120.570 0.036 0.000 2.208 231 I HA -0.228 3.957 4.170 0.024 0.000 0.245 231 I C 2.230 178.393 176.117 0.076 0.000 1.097 231 I CA 1.402 62.774 61.300 0.120 0.000 1.363 231 I CB -0.553 37.521 38.000 0.123 0.000 1.051 231 I HN 0.223 nan 8.210 nan 0.000 0.413 232 G N 0.679 109.493 108.800 0.023 0.000 2.421 232 G HA2 -0.239 3.736 3.960 0.024 0.000 0.216 232 G HA3 -0.239 3.736 3.960 0.024 0.000 0.216 232 G C 1.620 176.487 174.900 -0.054 0.000 1.171 232 G CA 0.527 45.616 45.100 -0.020 0.000 0.775 232 G HN 0.109 nan 8.290 nan 0.000 0.543 233 M N 1.250 120.824 119.600 -0.043 0.000 2.108 233 M HA -0.018 4.476 4.480 0.024 0.000 0.261 233 M C 2.685 178.963 176.300 -0.036 0.000 1.066 233 M CA 1.169 56.441 55.300 -0.047 0.000 1.107 233 M CB -1.227 31.338 32.600 -0.058 0.000 1.356 233 M HN 0.177 nan 8.290 nan 0.000 0.406 234 S N -0.235 115.455 115.700 -0.015 0.000 2.436 234 S HA 0.051 4.536 4.470 0.024 0.000 0.228 234 S C 1.932 176.618 174.600 0.145 0.000 1.014 234 S CA 0.685 58.873 58.200 -0.019 0.000 0.950 234 S CB 0.013 63.118 63.200 -0.160 0.000 0.784 234 S HN 0.365 nan 8.310 nan 0.000 0.504 235 M N 1.057 120.731 119.600 0.123 0.000 2.117 235 M HA 0.022 4.516 4.480 0.024 0.000 0.262 235 M C 2.016 178.243 176.300 -0.121 0.000 1.065 235 M CA 1.309 56.566 55.300 -0.071 0.000 1.114 235 M CB -1.130 31.099 32.600 -0.620 0.000 1.361 235 M HN 0.301 nan 8.290 nan 0.000 0.408 236 I N 0.152 120.640 120.570 -0.136 0.000 2.226 236 I HA -0.316 3.868 4.170 0.024 0.000 0.245 236 I C 2.667 178.778 176.117 -0.010 0.000 1.100 236 I CA 1.801 63.054 61.300 -0.079 0.000 1.374 236 I CB -0.267 37.696 38.000 -0.061 0.000 1.057 236 I HN 0.373 nan 8.210 nan 0.000 0.413 237 S N 0.549 116.248 115.700 -0.002 0.000 2.427 237 S HA 0.087 4.571 4.470 0.024 0.000 0.224 237 S C 2.213 176.817 174.600 0.007 0.000 1.047 237 S CA 0.434 58.633 58.200 -0.002 0.000 0.953 237 S CB -0.277 62.905 63.200 -0.030 0.000 0.824 237 S HN 0.306 nan 8.310 nan 0.000 0.502 238 A N 0.327 123.124 122.820 -0.038 0.000 1.972 238 A HA 0.102 4.436 4.320 0.024 0.000 0.219 238 A C 1.599 179.133 177.584 -0.083 0.000 1.169 238 A CA 1.146 53.091 52.037 -0.154 0.000 0.635 238 A CB -0.844 17.977 19.000 -0.299 0.000 0.810 238 A HN 0.705 nan 8.150 nan 0.000 0.446 239 Y N -2.196 118.155 120.300 0.084 0.000 2.507 239 Y HA 0.332 4.897 4.550 0.024 0.000 0.254 239 Y C 0.612 176.530 175.900 0.029 0.000 1.171 239 Y CA 0.026 58.161 58.100 0.059 0.000 1.238 239 Y CB 0.429 38.897 38.460 0.014 0.000 1.148 239 Y HN 0.248 nan 8.280 nan 0.000 0.525 240 K N 1.665 122.131 120.400 0.111 0.000 3.244 240 K HA -0.269 4.065 4.320 0.024 0.000 0.270 240 K C -0.204 176.433 176.600 0.063 0.000 1.016 240 K CA 0.404 56.730 56.287 0.066 0.000 0.754 240 K CB -1.070 31.457 32.500 0.045 0.000 1.326 240 K HN 0.579 nan 8.250 nan 0.000 0.465 241 Q N 0.149 119.982 119.800 0.054 0.000 2.193 241 Q HA 0.688 5.043 4.340 0.024 0.000 0.246 241 Q C -0.064 175.949 176.000 0.022 0.000 0.959 241 Q CA -0.251 55.576 55.803 0.039 0.000 0.904 241 Q CB 1.204 29.955 28.738 0.022 0.000 1.238 241 Q HN 0.433 nan 8.270 nan 0.000 0.469 242 A N 0.919 123.754 122.820 0.026 0.000 2.547 242 A HA 0.340 4.675 4.320 0.024 0.000 0.233 242 A C -0.147 177.444 177.584 0.012 0.000 1.067 242 A CA 0.692 52.741 52.037 0.020 0.000 0.763 242 A CB -0.111 18.905 19.000 0.026 0.000 1.007 242 A HN 0.724 nan 8.150 nan 0.000 0.506 243 A N 1.498 124.323 122.820 0.008 0.000 3.095 243 A HA 0.584 4.919 4.320 0.024 0.000 0.301 243 A C 0.798 178.387 177.584 0.007 0.000 1.432 243 A CA 0.266 52.304 52.037 0.002 0.000 1.140 243 A CB -1.096 17.903 19.000 -0.001 0.000 1.174 243 A HN 2.686 nan 8.150 nan 0.000 0.546 244 G N 1.472 110.281 108.800 0.016 0.000 2.766 244 G HA2 0.057 4.032 3.960 0.024 0.000 0.208 244 G HA3 0.057 4.032 3.960 0.024 0.000 0.208 244 G C -0.679 174.237 174.900 0.027 0.000 0.991 244 G CA -0.153 44.961 45.100 0.023 0.000 1.212 244 G HN 0.991 nan 8.290 nan 0.000 0.617 245 E N -0.078 120.146 120.200 0.041 0.000 2.355 245 E HA 0.819 5.183 4.350 0.024 0.000 0.261 245 E C 1.467 178.093 176.600 0.043 0.000 0.943 245 E CA -0.551 55.872 56.400 0.038 0.000 0.806 245 E CB 1.312 31.036 29.700 0.040 0.000 1.286 245 E HN 0.797 nan 8.360 nan 0.000 0.424 246 A N 0.917 123.754 122.820 0.028 0.000 1.948 246 A HA -0.202 4.133 4.320 0.024 0.000 0.220 246 A C 2.217 179.817 177.584 0.027 0.000 1.177 246 A CA 2.305 54.352 52.037 0.017 0.000 0.636 246 A CB -1.206 17.792 19.000 -0.003 0.000 0.815 246 A HN 0.705 nan 8.150 nan 0.000 0.449 247 A N -1.090 121.759 122.820 0.047 0.000 2.067 247 A HA -0.020 4.314 4.320 0.024 0.000 0.219 247 A C 2.165 179.855 177.584 0.176 0.000 1.158 247 A CA 1.991 54.064 52.037 0.060 0.000 0.661 247 A CB -1.141 17.912 19.000 0.087 0.000 0.801 247 A HN 0.451 nan 8.150 nan 0.000 0.452 248 T N -0.053 114.632 114.554 0.217 0.000 2.778 248 T HA -0.115 4.250 4.350 0.024 0.000 0.269 248 T C 1.875 176.732 174.700 0.262 0.000 1.050 248 T CA 1.434 63.715 62.100 0.301 0.000 1.137 248 T CB -0.491 68.459 68.868 0.137 0.000 0.860 248 T HN 0.593 nan 8.240 nan 0.000 0.468 249 G N 1.189 110.067 108.800 0.129 0.000 2.443 249 G HA2 -0.171 3.804 3.960 0.024 0.000 0.219 249 G HA3 -0.171 3.804 3.960 0.024 0.000 0.219 249 G C 1.261 176.206 174.900 0.075 0.000 1.131 249 G CA 0.571 45.725 45.100 0.089 0.000 0.775 249 G HN 0.380 nan 8.290 nan 0.000 0.547 250 D N 0.413 120.806 120.400 -0.010 0.000 2.183 250 D HA -0.031 4.623 4.640 0.024 0.000 0.203 250 D C 2.076 178.307 176.300 -0.116 0.000 0.969 250 D CA 0.411 54.345 54.000 -0.110 0.000 0.842 250 D CB -0.261 40.355 40.800 -0.306 0.000 0.957 250 D HN 0.379 nan 8.370 nan 0.000 0.484 251 F N 1.570 121.532 119.950 0.020 0.000 2.171 251 F HA -0.074 4.467 4.527 0.024 0.000 0.300 251 F C 2.512 178.329 175.800 0.028 0.000 1.090 251 F CA 0.827 58.830 58.000 0.006 0.000 1.293 251 F CB -0.654 38.338 39.000 -0.014 0.000 1.013 251 F HN -0.086 nan 8.300 nan 0.000 0.486 252 A N -0.560 122.402 122.820 0.235 0.000 1.877 252 A HA -0.260 4.075 4.320 0.024 0.000 0.216 252 A C 2.078 179.751 177.584 0.147 0.000 1.186 252 A CA 1.616 53.749 52.037 0.161 0.000 0.620 252 A CB -1.446 17.637 19.000 0.138 0.000 0.822 252 A HN 0.458 nan 8.150 nan 0.000 0.443 253 Y N 0.590 120.911 120.300 0.035 0.000 2.181 253 Y HA -0.071 4.493 4.550 0.024 0.000 0.288 253 Y C 2.676 178.595 175.900 0.032 0.000 1.146 253 Y CA 1.059 59.172 58.100 0.023 0.000 1.164 253 Y CB -0.530 37.925 38.460 -0.009 0.000 0.982 253 Y HN 0.314 nan 8.280 nan 0.000 0.515 254 A N 0.194 123.052 122.820 0.062 0.000 1.877 254 A HA -0.105 4.229 4.320 0.024 0.000 0.216 254 A C 2.396 179.946 177.584 -0.056 0.000 1.186 254 A CA 1.943 53.986 52.037 0.010 0.000 0.620 254 A CB -1.447 17.591 19.000 0.065 0.000 0.822 254 A HN 0.541 nan 8.150 nan 0.000 0.443 255 A N -0.863 121.953 122.820 -0.007 0.000 2.014 255 A HA 0.071 4.406 4.320 0.024 0.000 0.218 255 A C 1.384 178.949 177.584 -0.032 0.000 1.163 255 A CA 1.092 53.122 52.037 -0.012 0.000 0.652 255 A CB -0.104 18.919 19.000 0.040 0.000 0.808 255 A HN 0.547 nan 8.150 nan 0.000 0.449 259 E N 0.092 120.235 120.200 -0.096 0.000 3.428 259 E HA 0.508 4.872 4.350 0.024 0.000 0.191 259 E C -0.673 175.936 176.600 0.014 0.000 0.980 259 E CA -0.186 56.157 56.400 -0.096 0.000 1.305 259 E CB 0.718 30.193 29.700 -0.375 0.000 1.105 259 E HN 0.286 nan 8.360 nan 0.000 0.455 260 V N 1.625 121.525 119.914 -0.024 0.000 2.532 260 V HA 0.423 4.558 4.120 0.024 0.000 0.295 260 V C -0.916 175.134 176.094 -0.073 0.000 1.041 260 V CA -0.876 61.379 62.300 -0.076 0.000 0.926 260 V CB 1.461 33.156 31.823 -0.213 0.000 0.992 260 V HN 0.302 nan 8.190 nan 0.000 0.457 261 I N 6.012 126.527 120.570 -0.093 0.000 2.411 261 I HA 0.427 4.612 4.170 0.024 0.000 0.284 261 I C 0.002 176.075 176.117 -0.075 0.000 1.012 261 I CA -0.365 60.895 61.300 -0.067 0.000 1.119 261 I CB 0.878 38.807 38.000 -0.118 0.000 1.261 261 I HN 0.707 nan 8.210 nan 0.000 0.448 262 H N 5.135 124.265 119.070 0.099 0.000 2.607 262 H HA 0.262 4.832 4.556 0.024 0.000 0.367 262 H C 1.215 176.657 175.328 0.191 0.000 1.181 262 H CA -0.388 55.729 56.048 0.115 0.000 1.402 262 H CB 1.273 31.092 29.762 0.095 0.000 1.474 262 H HN 0.400 nan 8.280 nan 0.000 0.596 263 M N 0.956 120.743 119.600 0.312 0.000 2.254 263 M HA 0.104 4.598 4.480 0.024 0.000 0.265 263 M C 0.999 177.455 176.300 0.260 0.000 1.066 263 M CA 0.696 56.192 55.300 0.327 0.000 1.123 263 M CB -0.409 32.332 32.600 0.236 0.000 1.388 263 M HN 0.689 nan 8.290 nan 0.000 0.425 264 G N 0.005 108.901 108.800 0.160 0.000 2.612 264 G HA2 0.534 4.509 3.960 0.024 0.000 0.298 264 G HA3 0.534 4.509 3.960 0.024 0.000 0.298 264 G C -0.724 174.154 174.900 -0.036 0.000 1.336 264 G CA -0.508 44.594 45.100 0.003 0.000 0.953 264 G HN 0.215 nan 8.290 nan 0.000 0.482 265 T N -1.297 113.176 114.554 -0.136 0.000 2.918 265 T HA 0.556 4.921 4.350 0.024 0.000 0.283 265 T C 0.297 174.875 174.700 -0.204 0.000 1.001 265 T CA -0.613 61.373 62.100 -0.190 0.000 1.041 265 T CB 1.057 69.767 68.868 -0.263 0.000 1.028 265 T HN 0.777 nan 8.240 nan 0.000 0.511 266 Y N 0.710 120.945 120.300 -0.109 0.000 2.426 266 Y HA 0.594 5.159 4.550 0.025 0.000 0.344 266 Y C -0.535 175.336 175.900 -0.049 0.000 1.256 266 Y CA -1.444 56.614 58.100 -0.070 0.000 1.451 266 Y CB 0.009 38.436 38.460 -0.055 0.000 1.342 266 Y HN 0.567 nan 8.280 nan 0.000 0.600 267 L N 3.302 124.629 121.223 0.175 0.000 2.322 267 L HA 0.535 4.890 4.340 0.024 0.000 0.269 267 L C -1.971 175.013 176.870 0.189 0.000 1.012 267 L CA -2.396 52.502 54.840 0.098 0.000 0.815 267 L CB 1.672 43.802 42.059 0.118 0.000 1.295 267 L HN 0.577 nan 8.230 nan 0.000 0.438 268 P HA 0.063 nan 4.420 nan 0.000 0.273 268 P C 0.816 178.176 177.300 0.101 0.000 1.250 268 P CA -0.423 62.743 63.100 0.110 0.000 0.793 268 P CB 0.985 32.715 31.700 0.051 0.000 1.011 269 V N -0.245 119.716 119.914 0.078 0.000 2.407 269 V HA -0.172 3.962 4.120 0.024 0.000 0.248 269 V C 1.940 178.068 176.094 0.056 0.000 1.055 269 V CA 1.473 63.810 62.300 0.063 0.000 1.049 269 V CB -0.864 30.984 31.823 0.042 0.000 0.662 269 V HN 0.598 nan 8.190 nan 0.000 0.455 273 R N 0.331 120.943 120.500 0.186 0.000 2.634 273 R HA 0.588 4.943 4.340 0.024 0.000 0.263 273 R C 0.524 176.930 176.300 0.176 0.000 1.060 273 R CA 0.172 56.395 56.100 0.206 0.000 0.898 273 R CB 1.864 32.321 30.300 0.263 0.000 1.253 273 R HN 1.421 nan 8.270 nan 0.000 0.461 274 G N 0.801 109.692 108.800 0.152 0.000 2.516 274 G HA2 0.238 4.212 3.960 0.024 0.000 0.276 274 G HA3 0.238 4.212 3.960 0.024 0.000 0.276 274 G C -0.590 174.372 174.900 0.104 0.000 1.390 274 G CA -0.338 44.833 45.100 0.120 0.000 1.050 274 G HN 0.496 nan 8.290 nan 0.000 0.519 275 E N -0.799 119.418 120.200 0.028 0.000 2.410 275 E HA 0.201 4.566 4.350 0.024 0.000 0.255 275 E C 0.226 176.854 176.600 0.047 0.000 1.194 275 E CA 0.118 56.477 56.400 -0.068 0.000 0.955 275 E CB 0.210 29.660 29.700 -0.418 0.000 0.988 275 E HN 0.407 nan 8.360 nan 0.000 0.461 276 N N 1.109 119.854 118.700 0.076 0.000 2.738 276 N HA -0.165 4.589 4.740 0.024 0.000 0.249 276 N C -1.355 174.326 175.510 0.286 0.000 1.047 276 N CA 0.835 53.986 53.050 0.168 0.000 0.707 276 N CB -0.674 37.897 38.487 0.140 0.000 0.937 276 N HN 0.325 nan 8.380 nan 0.000 0.545 277 E N -1.335 118.980 120.200 0.191 0.000 2.281 277 E HA 0.377 4.741 4.350 0.024 0.000 0.262 277 E C -1.611 174.791 176.600 -0.330 0.000 0.933 277 E CA -1.772 54.697 56.400 0.115 0.000 0.809 277 E CB 0.929 30.649 29.700 0.034 0.000 1.242 277 E HN -0.086 nan 8.360 nan 0.000 0.418 278 P HA -0.060 nan 4.420 nan 0.000 0.219 278 P C 1.205 177.774 177.300 -1.217 0.000 1.150 278 P CA 1.251 63.704 63.100 -1.078 0.000 0.814 278 P CB 0.215 31.155 31.700 -1.266 0.000 0.787 279 G N -0.344 107.208 108.800 -2.081 0.000 2.471 279 G HA2 -0.148 3.827 3.960 0.024 0.000 0.219 279 G HA3 -0.148 3.827 3.960 0.024 0.000 0.219 279 G C 1.524 176.020 174.900 -0.672 0.000 1.125 279 G CA 0.747 44.930 45.100 -1.528 0.000 0.775 279 G HN 0.392 nan 8.290 nan 0.000 0.548 280 G N -0.437 108.059 108.800 -0.507 0.000 2.985 280 G HA2 0.283 4.258 3.960 0.024 0.000 0.209 280 G HA3 0.283 4.258 3.960 0.024 0.000 0.209 280 G C 0.151 174.887 174.900 -0.272 0.000 1.165 280 G CA -0.078 44.832 45.100 -0.316 0.000 0.776 280 G HN 0.234 nan 8.290 nan 0.000 0.541 281 V N 3.708 123.482 119.914 -0.233 0.000 2.408 281 V HA 0.232 4.367 4.120 0.024 0.000 0.267 281 V C -1.649 174.339 176.094 -0.175 0.000 1.047 281 V CA -1.767 60.468 62.300 -0.109 0.000 0.937 281 V CB 1.467 33.317 31.823 0.044 0.000 0.999 281 V HN 0.116 nan 8.190 nan 0.000 0.472 282 P HA 0.155 nan 4.420 nan 0.000 0.272 282 P C 0.572 177.820 177.300 -0.088 0.000 1.230 282 P CA -0.225 62.657 63.100 -0.363 0.000 0.788 282 P CB 0.731 32.220 31.700 -0.351 0.000 0.949 283 F N 0.958 120.903 119.950 -0.009 0.000 2.161 283 F HA -0.065 4.477 4.527 0.025 0.000 0.300 283 F C 2.642 178.509 175.800 0.112 0.000 1.089 283 F CA 1.925 59.969 58.000 0.073 0.000 1.282 283 F CB -2.028 36.960 39.000 -0.020 0.000 1.010 283 F HN 0.404 nan 8.300 nan 0.000 0.485 284 G N -1.549 107.396 108.800 0.241 0.000 2.422 284 G HA2 -0.240 3.734 3.960 0.024 0.000 0.218 284 G HA3 -0.240 3.734 3.960 0.024 0.000 0.218 284 G C 1.496 176.691 174.900 0.493 0.000 1.140 284 G CA 0.441 45.736 45.100 0.326 0.000 0.775 284 G HN 0.252 nan 8.290 nan 0.000 0.545 285 Y N 0.112 120.588 120.300 0.292 0.000 2.200 285 Y HA 0.068 4.633 4.550 0.024 0.000 0.290 285 Y C 2.628 178.567 175.900 0.065 0.000 1.137 285 Y CA -0.247 57.941 58.100 0.148 0.000 1.163 285 Y CB -0.581 37.936 38.460 0.096 0.000 0.988 285 Y HN 0.073 nan 8.280 nan 0.000 0.518 286 L N -0.211 121.175 121.223 0.270 0.000 2.083 286 L HA -0.175 4.180 4.340 0.024 0.000 0.209 286 L C 2.236 179.161 176.870 0.092 0.000 1.083 286 L CA 2.059 56.971 54.840 0.119 0.000 0.752 286 L CB -1.214 40.952 42.059 0.178 0.000 0.899 286 L HN 0.228 nan 8.230 nan 0.000 0.433 287 A N -0.508 122.407 122.820 0.158 0.000 1.933 287 A HA -0.221 4.113 4.320 0.024 0.000 0.218 287 A C 1.857 179.505 177.584 0.107 0.000 1.175 287 A CA 1.828 53.944 52.037 0.131 0.000 0.628 287 A CB -0.492 18.600 19.000 0.154 0.000 0.814 287 A HN 0.481 nan 8.150 nan 0.000 0.444 288 D N -0.427 120.036 120.400 0.106 0.000 2.277 288 D HA 0.017 4.671 4.640 0.024 0.000 0.208 288 D C 1.801 178.094 176.300 -0.012 0.000 0.962 288 D CA 0.507 54.549 54.000 0.070 0.000 0.865 288 D CB -0.171 40.657 40.800 0.046 0.000 0.939 288 D HN 0.521 nan 8.370 nan 0.000 0.510 289 I N 0.470 120.953 120.570 -0.144 0.000 2.142 289 I HA -0.186 3.998 4.170 0.024 0.000 0.240 289 I C 1.438 177.426 176.117 -0.215 0.000 1.078 289 I CA 0.320 61.325 61.300 -0.491 0.000 1.343 289 I CB -0.048 37.494 38.000 -0.763 0.000 1.046 289 I HN 0.040 nan 8.210 nan 0.000 0.405 290 C N 2.679 121.972 119.300 -0.011 0.000 2.611 290 C HA -0.035 4.439 4.460 0.024 0.000 0.416 290 C C 1.546 176.627 174.990 0.152 0.000 1.366 290 C CA -0.122 58.986 59.018 0.150 0.000 1.761 290 C CB 0.007 27.813 27.740 0.110 0.000 2.619 290 C HN 0.420 nan 8.230 nan 0.000 0.606 291 Q N 3.158 123.082 119.800 0.207 0.000 2.220 291 Q HA 0.027 4.381 4.340 0.024 0.000 0.205 291 Q C 2.026 178.098 176.000 0.120 0.000 0.865 291 Q CA 0.282 56.184 55.803 0.165 0.000 0.960 291 Q CB 0.324 29.169 28.738 0.180 0.000 1.097 291 Q HN 0.940 nan 8.270 nan 0.000 0.493 292 S N 1.226 116.995 115.700 0.115 0.000 2.400 292 S HA -0.161 4.323 4.470 0.024 0.000 0.232 292 S C 2.025 176.695 174.600 0.117 0.000 1.025 292 S CA 1.764 60.018 58.200 0.089 0.000 0.993 292 S CB 0.102 63.346 63.200 0.073 0.000 0.808 292 S HN 0.579 nan 8.310 nan 0.000 0.478 293 S N 2.141 117.931 115.700 0.150 0.000 2.419 293 S HA -0.183 4.302 4.470 0.024 0.000 0.235 293 S C 1.802 176.559 174.600 0.261 0.000 1.019 293 S CA 1.150 59.468 58.200 0.196 0.000 0.982 293 S CB -0.659 62.662 63.200 0.201 0.000 0.789 293 S HN 0.856 nan 8.310 nan 0.000 0.490 294 R N 1.101 121.723 120.500 0.203 0.000 2.280 294 R HA 0.229 4.583 4.340 0.024 0.000 0.195 294 R C 1.833 178.291 176.300 0.263 0.000 0.935 294 R CA 0.858 57.065 56.100 0.178 0.000 1.033 294 R CB -0.402 29.787 30.300 -0.185 0.000 0.964 294 R HN 0.517 nan 8.270 nan 0.000 0.489 295 V N -2.923 117.101 119.914 0.182 0.000 3.212 295 V HA 0.251 4.386 4.120 0.024 0.000 0.244 295 V C 0.676 176.728 176.094 -0.069 0.000 1.151 295 V CA 0.122 62.481 62.300 0.098 0.000 1.119 295 V CB 0.044 31.881 31.823 0.024 0.000 0.838 295 V HN 0.168 nan 8.190 nan 0.000 0.470 296 N N 0.489 119.157 118.700 -0.054 0.000 2.389 296 N HA 0.211 4.965 4.740 0.024 0.000 0.260 296 N C 1.036 176.446 175.510 -0.168 0.000 1.191 296 N CA 0.294 53.254 53.050 -0.149 0.000 0.885 296 N CB 0.367 38.833 38.487 -0.036 0.000 1.162 296 N HN 0.824 nan 8.380 nan 0.000 0.512 297 Y N 0.259 120.580 120.300 0.035 0.000 2.403 297 Y HA 0.118 4.682 4.550 0.024 0.000 0.291 297 Y C 1.596 177.508 175.900 0.020 0.000 1.143 297 Y CA 0.586 58.708 58.100 0.037 0.000 1.257 297 Y CB -0.231 38.259 38.460 0.050 0.000 0.984 297 Y HN -0.118 nan 8.280 nan 0.000 0.550 298 E N 0.478 120.500 120.200 -0.296 0.000 2.516 298 E HA -0.076 4.289 4.350 0.024 0.000 0.199 298 E C -0.282 176.283 176.600 -0.059 0.000 1.069 298 E CA 0.698 57.038 56.400 -0.100 0.000 0.876 298 E CB -0.117 29.488 29.700 -0.158 0.000 0.843 298 E HN 0.486 nan 8.360 nan 0.000 0.530 299 D N 0.055 120.420 120.400 -0.057 0.000 2.375 299 D HA 0.113 4.768 4.640 0.024 0.000 0.259 299 D C -1.963 174.314 176.300 -0.038 0.000 1.235 299 D CA -2.186 51.802 54.000 -0.021 0.000 0.924 299 D CB 1.429 42.245 40.800 0.027 0.000 1.143 299 D HN -0.195 nan 8.370 nan 0.000 0.529 300 P HA -0.096 nan 4.420 nan 0.000 0.223 300 P C 1.538 178.789 177.300 -0.081 0.000 1.151 300 P CA 0.304 63.332 63.100 -0.121 0.000 0.787 300 P CB 0.753 32.268 31.700 -0.309 0.000 0.788 301 V N 0.928 120.732 119.914 -0.183 0.000 2.323 301 V HA -0.178 3.956 4.120 0.024 0.000 0.244 301 V C 2.908 178.948 176.094 -0.089 0.000 1.041 301 V CA 1.949 64.151 62.300 -0.162 0.000 1.025 301 V CB -1.115 30.284 31.823 -0.707 0.000 0.656 301 V HN 0.073 nan 8.190 nan 0.000 0.451 302 R N 0.538 121.013 120.500 -0.041 0.000 2.092 302 R HA -0.091 4.263 4.340 0.024 0.000 0.231 302 R C 1.928 178.252 176.300 0.040 0.000 1.119 302 R CA 1.763 57.881 56.100 0.030 0.000 0.970 302 R CB -1.016 29.323 30.300 0.066 0.000 0.864 302 R HN 0.330 nan 8.270 nan 0.000 0.440 303 V N 0.029 119.974 119.914 0.053 0.000 2.307 303 V HA -0.188 3.946 4.120 0.024 0.000 0.245 303 V C 2.137 178.287 176.094 0.093 0.000 1.045 303 V CA 2.178 64.527 62.300 0.080 0.000 1.024 303 V CB -0.524 31.361 31.823 0.104 0.000 0.651 303 V HN 0.385 nan 8.190 nan 0.000 0.449 304 S N 0.061 115.832 115.700 0.118 0.000 2.368 304 S HA -0.059 4.426 4.470 0.024 0.000 0.225 304 S C 1.852 176.500 174.600 0.079 0.000 1.030 304 S CA 1.362 59.635 58.200 0.122 0.000 0.999 304 S CB -0.287 63.025 63.200 0.186 0.000 0.844 304 S HN 0.449 nan 8.310 nan 0.000 0.459 305 L N 1.088 122.350 121.223 0.065 0.000 2.313 305 L HA -0.030 4.324 4.340 0.024 0.000 0.214 305 L C 1.811 178.714 176.870 0.055 0.000 1.119 305 L CA 0.737 55.612 54.840 0.058 0.000 0.809 305 L CB -0.554 41.533 42.059 0.047 0.000 0.933 305 L HN 0.183 nan 8.230 nan 0.000 0.449 306 D N 0.012 120.438 120.400 0.043 0.000 2.144 306 D HA -0.128 4.526 4.640 0.024 0.000 0.200 306 D C 2.319 178.634 176.300 0.025 0.000 0.978 306 D CA 0.985 54.994 54.000 0.016 0.000 0.833 306 D CB 0.092 40.901 40.800 0.016 0.000 0.961 306 D HN 0.082 nan 8.370 nan 0.000 0.470 307 V N 0.565 120.510 119.914 0.053 0.000 2.358 307 V HA -0.183 3.952 4.120 0.024 0.000 0.246 307 V C 2.649 178.777 176.094 0.056 0.000 1.047 307 V CA 0.873 63.209 62.300 0.060 0.000 1.035 307 V CB -0.343 31.526 31.823 0.077 0.000 0.658 307 V HN 0.050 nan 8.190 nan 0.000 0.452 308 V N 0.449 120.399 119.914 0.059 0.000 2.332 308 V HA -0.289 3.845 4.120 0.024 0.000 0.248 308 V C 2.718 178.883 176.094 0.119 0.000 1.055 308 V CA 2.096 64.439 62.300 0.072 0.000 1.038 308 V CB -1.154 30.713 31.823 0.074 0.000 0.651 308 V HN 0.566 nan 8.190 nan 0.000 0.450 309 A N -0.254 122.635 122.820 0.115 0.000 1.877 309 A HA -0.242 4.093 4.320 0.024 0.000 0.216 309 A C 2.410 180.075 177.584 0.134 0.000 1.186 309 A CA 2.586 54.707 52.037 0.139 0.000 0.620 309 A CB -1.072 17.910 19.000 -0.031 0.000 0.822 309 A HN 0.505 nan 8.150 nan 0.000 0.443 310 T N -0.305 114.274 114.554 0.043 0.000 2.684 310 T HA -0.088 4.276 4.350 0.024 0.000 0.267 310 T C 1.926 176.624 174.700 -0.003 0.000 1.036 310 T CA 1.721 63.846 62.100 0.042 0.000 1.148 310 T CB -0.658 68.215 68.868 0.008 0.000 0.863 310 T HN 0.590 nan 8.240 nan 0.000 0.436 311 G N 0.614 109.405 108.800 -0.016 0.000 2.408 311 G HA2 0.126 4.101 3.960 0.024 0.000 0.215 311 G HA3 0.126 4.101 3.960 0.024 0.000 0.215 311 G C 1.836 176.781 174.900 0.074 0.000 1.156 311 G CA 0.756 45.800 45.100 -0.093 0.000 0.793 311 G HN 0.567 nan 8.290 nan 0.000 0.535 312 A N 0.682 123.592 122.820 0.150 0.000 1.902 312 A HA -0.013 4.322 4.320 0.024 0.000 0.217 312 A C 2.306 180.000 177.584 0.184 0.000 1.181 312 A CA 2.043 54.200 52.037 0.201 0.000 0.623 312 A CB -0.407 18.751 19.000 0.264 0.000 0.818 312 A HN 0.338 nan 8.150 nan 0.000 0.443 313 M N -0.657 119.029 119.600 0.143 0.000 2.067 313 M HA -0.102 4.392 4.480 0.024 0.000 0.260 313 M C 2.140 178.407 176.300 -0.056 0.000 1.069 313 M CA 2.004 57.306 55.300 0.004 0.000 1.117 313 M CB -0.887 31.538 32.600 -0.292 0.000 1.334 313 M HN 0.385 nan 8.290 nan 0.000 0.407 314 L N 0.080 121.234 121.223 -0.116 0.000 2.017 314 L HA -0.200 4.155 4.340 0.024 0.000 0.208 314 L C 2.015 178.826 176.870 -0.099 0.000 1.073 314 L CA 1.960 56.666 54.840 -0.222 0.000 0.745 314 L CB -1.147 40.691 42.059 -0.368 0.000 0.894 314 L HN 0.288 nan 8.230 nan 0.000 0.432 315 Y N -0.623 119.687 120.300 0.017 0.000 2.314 315 Y HA -0.051 4.513 4.550 0.024 0.000 0.294 315 Y C 2.396 178.404 175.900 0.180 0.000 1.119 315 Y CA 0.941 59.115 58.100 0.124 0.000 1.179 315 Y CB -0.576 37.959 38.460 0.125 0.000 1.025 315 Y HN 0.253 nan 8.280 nan 0.000 0.541 316 D N -0.915 119.652 120.400 0.279 0.000 2.201 316 D HA -0.055 4.599 4.640 0.024 0.000 0.209 316 D C 1.956 178.402 176.300 0.243 0.000 0.961 316 D CA 0.960 55.111 54.000 0.251 0.000 0.861 316 D CB -0.117 40.799 40.800 0.194 0.000 0.997 316 D HN 0.365 nan 8.370 nan 0.000 0.486 317 Q N -0.109 119.767 119.800 0.127 0.000 2.089 317 Q HA 0.111 4.465 4.340 0.024 0.000 0.195 317 Q C 2.266 178.160 176.000 -0.176 0.000 0.963 317 Q CA 0.682 56.518 55.803 0.055 0.000 0.834 317 Q CB 0.484 29.247 28.738 0.041 0.000 0.906 317 Q HN 0.262 nan 8.270 nan 0.000 0.452 318 I N -0.572 119.807 120.570 -0.319 0.000 2.494 318 I HA -0.135 4.050 4.170 0.024 0.000 0.250 318 I C 2.115 178.130 176.117 -0.171 0.000 1.112 318 I CA 0.566 61.507 61.300 -0.598 0.000 1.438 318 I CB -0.212 37.442 38.000 -0.577 0.000 1.111 318 I HN 0.402 nan 8.210 nan 0.000 0.431 319 W N 1.879 123.020 121.300 -0.264 0.000 2.474 319 W HA -0.092 4.582 4.660 0.024 0.000 0.319 319 W C 2.076 178.582 176.519 -0.021 0.000 1.165 319 W CA 0.938 58.160 57.345 -0.205 0.000 1.356 319 W CB -0.187 29.134 29.460 -0.231 0.000 1.172 319 W HN -0.031 nan 8.180 nan 0.000 0.478 320 L N 0.882 122.025 121.223 -0.134 0.000 2.156 320 L HA -0.021 4.333 4.340 0.024 0.000 0.208 320 L C 2.649 179.481 176.870 -0.064 0.000 1.095 320 L CA 1.380 56.130 54.840 -0.151 0.000 0.770 320 L CB -1.292 40.854 42.059 0.146 0.000 0.914 320 L HN 0.140 nan 8.230 nan 0.000 0.439 321 G N -2.016 106.747 108.800 -0.061 0.000 2.813 321 G HA2 -0.074 3.900 3.960 0.024 0.000 0.209 321 G HA3 -0.074 3.900 3.960 0.024 0.000 0.209 321 G C 1.459 176.179 174.900 -0.301 0.000 1.150 321 G CA 0.897 45.727 45.100 -0.450 0.000 0.785 321 G HN 0.318 nan 8.290 nan 0.000 0.535 322 S N -1.989 113.598 115.700 -0.189 0.000 3.952 322 S HA 0.131 4.616 4.470 0.024 0.000 0.211 322 S C 1.665 176.191 174.600 -0.124 0.000 1.098 322 S CA -0.142 57.997 58.200 -0.100 0.000 0.954 322 S CB -0.556 62.612 63.200 -0.053 0.000 1.222 322 S HN 0.133 nan 8.310 nan 0.000 0.585 323 Y N 1.816 121.955 120.300 -0.268 0.000 2.139 323 Y HA -0.025 4.540 4.550 0.024 0.000 0.282 323 Y C 2.183 177.827 175.900 -0.426 0.000 1.179 323 Y CA 1.668 59.594 58.100 -0.290 0.000 1.161 323 Y CB -0.040 38.230 38.460 -0.317 0.000 0.970 323 Y HN 0.291 nan 8.280 nan 0.000 0.511 324 M N -1.453 117.898 119.600 -0.414 0.000 2.383 324 M HA 0.170 4.665 4.480 0.024 0.000 0.247 324 M C 0.897 177.064 176.300 -0.222 0.000 1.117 324 M CA 0.540 55.608 55.300 -0.388 0.000 0.995 324 M CB -0.410 31.844 32.600 -0.577 0.000 1.480 324 M HN 0.359 nan 8.290 nan 0.000 0.485 325 S N -1.165 114.409 115.700 -0.209 0.000 5.444 325 S HA 0.723 5.208 4.470 0.024 0.000 0.141 325 S C 0.616 175.114 174.600 -0.169 0.000 1.258 325 S CA 0.277 58.367 58.200 -0.183 0.000 1.126 325 S CB 0.882 63.937 63.200 -0.242 0.000 2.053 325 S HN 0.490 nan 8.310 nan 0.000 0.692 326 G N -0.205 108.464 108.800 -0.219 0.000 2.408 326 G HA2 0.482 4.456 3.960 0.024 0.000 0.682 326 G HA3 0.482 4.456 3.960 0.024 0.000 0.682 326 G C 0.522 175.358 174.900 -0.106 0.000 1.303 326 G CA 0.274 45.307 45.100 -0.112 0.000 0.966 326 G HN 2.531 nan 8.290 nan 0.000 0.560 327 G N -2.201 106.578 108.800 -0.035 0.000 2.482 327 G HA2 0.144 4.118 3.960 0.024 0.000 0.214 327 G HA3 0.144 4.118 3.960 0.024 0.000 0.214 327 G C 1.120 176.038 174.900 0.030 0.000 1.271 327 G CA 0.875 45.963 45.100 -0.021 0.000 0.944 327 G HN 1.978 nan 8.290 nan 0.000 0.568 328 V N 1.919 121.860 119.914 0.045 0.000 2.324 328 V HA 0.211 4.346 4.120 0.024 0.000 0.250 328 V C 2.695 178.898 176.094 0.182 0.000 1.060 328 V CA 3.584 65.966 62.300 0.137 0.000 1.042 328 V CB -1.577 30.314 31.823 0.113 0.000 0.650 328 V HN 2.808 nan 8.190 nan 0.000 0.450 329 G N -0.706 108.095 108.800 0.001 0.000 2.542 329 G HA2 -0.237 3.738 3.960 0.024 0.000 0.235 329 G HA3 -0.237 3.738 3.960 0.024 0.000 0.235 329 G C -0.337 174.600 174.900 0.062 0.000 1.286 329 G CA 0.072 45.037 45.100 -0.224 0.000 0.904 329 G HN 0.235 nan 8.290 nan 0.000 0.577 330 F N 1.673 121.671 119.950 0.079 0.000 2.879 330 F HA 0.397 4.939 4.527 0.025 0.000 0.354 330 F C 2.087 177.924 175.800 0.062 0.000 1.291 330 F CA -0.037 58.053 58.000 0.150 0.000 1.238 330 F CB -0.011 39.114 39.000 0.208 0.000 1.005 330 F HN 0.413 nan 8.300 nan 0.000 0.508 331 T N -0.630 113.993 114.554 0.115 0.000 2.652 331 T HA -0.242 4.123 4.350 0.024 0.000 0.267 331 T C 1.878 176.555 174.700 -0.037 0.000 1.039 331 T CA 1.823 63.927 62.100 0.007 0.000 1.153 331 T CB -0.041 68.808 68.868 -0.031 0.000 0.863 331 T HN 0.360 nan 8.240 nan 0.000 0.428 332 Q N -0.732 119.021 119.800 -0.079 0.000 2.378 332 Q HA 0.038 4.393 4.340 0.024 0.000 0.205 332 Q C 1.822 177.700 176.000 -0.203 0.000 0.954 332 Q CA 0.535 56.204 55.803 -0.223 0.000 0.901 332 Q CB -0.137 28.483 28.738 -0.195 0.000 0.981 332 Q HN 0.560 nan 8.270 nan 0.000 0.483 333 Y N 0.178 120.409 120.300 -0.115 0.000 2.256 333 Y HA -0.232 4.332 4.550 0.024 0.000 0.288 333 Y C 2.218 178.055 175.900 -0.104 0.000 1.155 333 Y CA 1.221 59.242 58.100 -0.131 0.000 1.203 333 Y CB -0.307 38.062 38.460 -0.153 0.000 0.980 333 Y HN 0.167 nan 8.280 nan 0.000 0.530 334 A N -0.837 122.032 122.820 0.082 0.000 1.956 334 A HA -0.061 4.273 4.320 0.024 0.000 0.212 334 A C 2.280 179.724 177.584 -0.234 0.000 1.188 334 A CA 1.321 53.388 52.037 0.050 0.000 0.675 334 A CB -1.134 17.979 19.000 0.188 0.000 0.845 334 A HN 0.432 nan 8.150 nan 0.000 0.455 335 T N -1.477 112.775 114.554 -0.504 0.000 2.849 335 T HA -0.062 4.303 4.350 0.024 0.000 0.270 335 T C 1.866 176.138 174.700 -0.713 0.000 1.066 335 T CA 1.605 63.047 62.100 -1.096 0.000 1.130 335 T CB -0.628 67.680 68.868 -0.934 0.000 0.864 335 T HN 0.581 nan 8.240 nan 0.000 0.481 336 A N 1.899 124.487 122.820 -0.387 0.000 1.986 336 A HA 0.195 4.530 4.320 0.024 0.000 0.220 336 A C 2.647 180.138 177.584 -0.156 0.000 1.171 336 A CA 1.890 53.796 52.037 -0.218 0.000 0.640 336 A CB -1.208 17.711 19.000 -0.134 0.000 0.811 336 A HN 0.864 nan 8.150 nan 0.000 0.451 337 A N -1.872 120.872 122.820 -0.128 0.000 2.251 337 A HA 0.352 4.686 4.320 0.024 0.000 0.209 337 A C 1.105 178.757 177.584 0.114 0.000 1.187 337 A CA 0.927 52.973 52.037 0.016 0.000 0.823 337 A CB -0.310 18.746 19.000 0.093 0.000 0.846 337 A HN 1.159 nan 8.150 nan 0.000 0.486 338 Y N -1.915 118.404 120.300 0.031 0.000 2.830 338 Y HA 0.408 4.973 4.550 0.024 0.000 0.255 338 Y C 0.023 175.948 175.900 0.041 0.000 1.130 338 Y CA -0.458 57.675 58.100 0.056 0.000 1.217 338 Y CB -0.676 37.861 38.460 0.130 0.000 1.296 338 Y HN 0.077 nan 8.280 nan 0.000 0.571 339 T N -3.364 111.159 114.554 -0.052 0.000 2.906 339 T HA 0.487 4.851 4.350 0.024 0.000 0.295 339 T C -0.319 174.399 174.700 0.029 0.000 1.075 339 T CA -0.177 61.921 62.100 -0.003 0.000 1.005 339 T CB 1.880 70.707 68.868 -0.067 0.000 1.136 339 T HN 0.096 nan 8.240 nan 0.000 0.498 340 D N 0.705 121.136 120.400 0.051 0.000 3.079 340 D HA -0.176 4.478 4.640 0.024 0.000 0.214 340 D C 0.314 176.672 176.300 0.096 0.000 1.145 340 D CA 1.308 55.355 54.000 0.078 0.000 0.958 340 D CB -1.512 39.357 40.800 0.116 0.000 1.117 340 D HN 0.831 nan 8.370 nan 0.000 0.416 341 N N -1.342 117.402 118.700 0.073 0.000 2.714 341 N HA -0.245 4.509 4.740 0.024 0.000 0.250 341 N C 1.128 176.698 175.510 0.101 0.000 1.117 341 N CA 1.287 54.395 53.050 0.096 0.000 0.719 341 N CB -1.422 37.124 38.487 0.099 0.000 1.081 341 N HN 0.501 nan 8.380 nan 0.000 0.557 342 I N -0.209 120.356 120.570 -0.008 0.000 2.270 342 I HA -0.165 4.019 4.170 0.024 0.000 0.239 342 I C 2.348 178.170 176.117 -0.492 0.000 1.080 342 I CA 0.602 61.752 61.300 -0.251 0.000 1.383 342 I CB -0.126 37.653 38.000 -0.370 0.000 1.097 342 I HN 0.095 nan 8.210 nan 0.000 0.420 343 L N 1.301 122.345 121.223 -0.297 0.000 2.131 343 L HA -0.230 4.125 4.340 0.024 0.000 0.210 343 L C 1.644 178.514 176.870 -0.000 0.000 1.092 343 L CA 2.056 56.792 54.840 -0.172 0.000 0.759 343 L CB -0.833 41.208 42.059 -0.029 0.000 0.903 343 L HN 0.209 nan 8.230 nan 0.000 0.435 344 D N -0.679 119.758 120.400 0.061 0.000 2.097 344 D HA -0.236 4.418 4.640 0.024 0.000 0.195 344 D C 1.933 178.445 176.300 0.353 0.000 0.989 344 D CA 1.545 55.657 54.000 0.187 0.000 0.827 344 D CB -0.347 40.602 40.800 0.248 0.000 0.966 344 D HN 0.495 nan 8.370 nan 0.000 0.456 345 D N -0.360 120.227 120.400 0.312 0.000 2.104 345 D HA -0.171 4.484 4.640 0.024 0.000 0.194 345 D C 1.692 178.383 176.300 0.651 0.000 0.994 345 D CA 0.932 55.206 54.000 0.457 0.000 0.830 345 D CB 0.001 41.095 40.800 0.491 0.000 0.959 345 D HN 0.095 nan 8.370 nan 0.000 0.452 346 F N 1.147 121.333 119.950 0.393 0.000 2.186 346 F HA -0.058 4.485 4.527 0.027 0.000 0.299 346 F C 2.791 178.766 175.800 0.291 0.000 1.090 346 F CA 0.818 59.050 58.000 0.388 0.000 1.307 346 F CB -1.360 37.812 39.000 0.287 0.000 1.019 346 F HN -0.018 nan 8.300 nan 0.000 0.489 347 T N -1.161 113.628 114.554 0.393 0.000 2.896 347 T HA -0.138 4.227 4.350 0.024 0.000 0.263 347 T C 1.768 176.590 174.700 0.205 0.000 1.050 347 T CA 0.857 63.103 62.100 0.243 0.000 1.140 347 T CB -0.525 68.412 68.868 0.115 0.000 0.877 347 T HN 0.096 nan 8.240 nan 0.000 0.457 348 Y N 0.612 121.056 120.300 0.239 0.000 2.256 348 Y HA -0.040 4.523 4.550 0.023 0.000 0.288 348 Y C 2.029 177.997 175.900 0.114 0.000 1.155 348 Y CA 0.524 58.716 58.100 0.154 0.000 1.203 348 Y CB -0.651 37.881 38.460 0.120 0.000 0.980 348 Y HN 0.250 nan 8.280 nan 0.000 0.530 349 F N 0.101 120.121 119.950 0.116 0.000 2.102 349 F HA -0.077 4.462 4.527 0.020 0.000 0.298 349 F C 2.333 178.119 175.800 -0.024 0.000 1.105 349 F CA 1.781 59.703 58.000 -0.132 0.000 1.239 349 F CB -0.740 37.822 39.000 -0.730 0.000 0.991 349 F HN -0.044 nan 8.300 nan 0.000 0.474 350 G N 0.521 109.370 108.800 0.083 0.000 2.402 350 G HA2 -0.250 3.725 3.960 0.024 0.000 0.216 350 G HA3 -0.250 3.725 3.960 0.024 0.000 0.216 350 G C 1.787 176.758 174.900 0.120 0.000 1.162 350 G CA 0.699 45.833 45.100 0.058 0.000 0.777 350 G HN 0.276 nan 8.290 nan 0.000 0.539 351 K N 0.798 121.314 120.400 0.193 0.000 2.063 351 K HA -0.153 4.181 4.320 0.024 0.000 0.208 351 K C 2.346 178.967 176.600 0.036 0.000 1.048 351 K CA 1.869 58.247 56.287 0.153 0.000 0.928 351 K CB -0.195 32.316 32.500 0.019 0.000 0.713 351 K HN 0.307 nan 8.250 nan 0.000 0.442 352 E N 0.054 120.244 120.200 -0.016 0.000 2.077 352 E HA -0.214 4.151 4.350 0.024 0.000 0.193 352 E C 2.005 178.540 176.600 -0.108 0.000 0.989 352 E CA 1.397 57.756 56.400 -0.070 0.000 0.800 352 E CB -0.666 28.980 29.700 -0.091 0.000 0.746 352 E HN 0.399 nan 8.360 nan 0.000 0.452 353 Y N 0.030 120.124 120.300 -0.343 0.000 2.128 353 Y HA -0.198 4.360 4.550 0.013 0.000 0.284 353 Y C 2.070 177.910 175.900 -0.100 0.000 1.154 353 Y CA 1.997 59.912 58.100 -0.307 0.000 1.149 353 Y CB -0.321 37.860 38.460 -0.464 0.000 0.976 353 Y HN -0.013 nan 8.280 nan 0.000 0.505 354 V N 0.318 120.256 119.914 0.040 0.000 2.453 354 V HA -0.231 3.904 4.120 0.024 0.000 0.247 354 V C 2.275 178.387 176.094 0.029 0.000 1.048 354 V CA 2.083 64.441 62.300 0.097 0.000 1.049 354 V CB -0.554 31.408 31.823 0.231 0.000 0.672 354 V HN 0.449 nan 8.190 nan 0.000 0.457 355 E N 0.275 120.468 120.200 -0.011 0.000 2.106 355 E HA -0.279 4.085 4.350 0.024 0.000 0.192 355 E C 1.877 178.435 176.600 -0.070 0.000 0.984 355 E CA 1.583 57.966 56.400 -0.028 0.000 0.806 355 E CB -0.056 29.620 29.700 -0.040 0.000 0.750 355 E HN 0.755 nan 8.360 nan 0.000 0.458 356 D N -0.073 120.250 120.400 -0.127 0.000 2.137 356 D HA -0.152 4.503 4.640 0.024 0.000 0.202 356 D C 2.021 178.185 176.300 -0.226 0.000 0.970 356 D CA 1.177 55.084 54.000 -0.155 0.000 0.837 356 D CB 0.046 40.750 40.800 -0.160 0.000 0.981 356 D HN 0.031 nan 8.370 nan 0.000 0.475 357 K N -1.569 118.602 120.400 -0.380 0.000 2.007 357 K HA -0.118 4.217 4.320 0.024 0.000 0.206 357 K C 1.297 177.607 176.600 -0.484 0.000 1.047 357 K CA 1.175 57.126 56.287 -0.560 0.000 0.937 357 K CB -0.042 31.880 32.500 -0.964 0.000 0.718 357 K HN 0.244 nan 8.250 nan 0.000 0.438 358 Y N -0.871 119.342 120.300 -0.146 0.000 2.607 358 Y HA 0.310 4.879 4.550 0.032 0.000 0.276 358 Y C 0.629 176.493 175.900 -0.061 0.000 1.117 358 Y CA 0.311 58.361 58.100 -0.083 0.000 1.273 358 Y CB 0.999 39.424 38.460 -0.058 0.000 1.282 358 Y HN 0.258 nan 8.280 nan 0.000 0.514 359 G N 1.264 110.121 108.800 0.096 0.000 2.879 359 G HA2 -0.199 3.775 3.960 0.024 0.000 0.686 359 G HA3 -0.199 3.775 3.960 0.024 0.000 0.686 359 G C -0.700 174.238 174.900 0.064 0.000 1.115 359 G CA -0.806 44.325 45.100 0.052 0.000 0.770 359 G HN 0.189 nan 8.290 nan 0.000 0.601 360 L N 1.317 122.555 121.223 0.025 0.000 2.525 360 L HA 0.179 4.533 4.340 0.024 0.000 0.278 360 L C 1.980 178.860 176.870 0.017 0.000 1.218 360 L CA 0.563 55.415 54.840 0.019 0.000 0.878 360 L CB 0.181 42.224 42.059 -0.027 0.000 1.127 360 L HN 1.363 nan 8.230 nan 0.000 0.492 361 C N 0.411 119.721 119.300 0.016 0.000 4.933 361 C HA -0.169 4.306 4.460 0.024 0.000 0.249 361 C C 1.620 176.599 174.990 -0.019 0.000 1.406 361 C CA 0.775 59.789 59.018 -0.007 0.000 1.505 361 C CB -2.184 25.552 27.740 -0.007 0.000 1.870 361 C HN 0.971 nan 8.230 nan 0.000 0.651 362 E N 0.673 120.870 120.200 -0.005 0.000 2.474 362 E HA 0.380 4.745 4.350 0.024 0.000 0.195 362 E C 1.026 177.620 176.600 -0.010 0.000 1.039 362 E CA 0.568 56.974 56.400 0.010 0.000 0.881 362 E CB 0.315 30.044 29.700 0.048 0.000 0.970 362 E HN 0.798 nan 8.360 nan 0.000 0.486 363 A N 2.821 125.554 122.820 -0.146 0.000 2.371 363 A HA 0.311 4.646 4.320 0.024 0.000 0.257 363 A C -2.362 175.107 177.584 -0.190 0.000 1.089 363 A CA -1.324 50.508 52.037 -0.341 0.000 0.794 363 A CB -0.042 18.375 19.000 -0.972 0.000 1.029 363 A HN -0.147 nan 8.150 nan 0.000 0.488 364 P HA -0.003 nan 4.420 nan 0.000 0.265 364 P C -0.426 176.821 177.300 -0.089 0.000 1.187 364 P CA 0.229 63.288 63.100 -0.067 0.000 0.766 364 P CB 0.267 31.952 31.700 -0.026 0.000 0.820 365 N N 3.162 121.825 118.700 -0.060 0.000 2.968 365 N HA 0.079 4.834 4.740 0.024 0.000 0.271 365 N C -0.690 174.792 175.510 -0.047 0.000 1.174 365 N CA -0.218 52.802 53.050 -0.048 0.000 1.096 365 N CB -0.993 37.475 38.487 -0.032 0.000 1.403 365 N HN 0.366 nan 8.380 nan 0.000 0.522 366 N N 1.001 119.674 118.700 -0.045 0.000 3.039 366 N HA 0.164 4.918 4.740 0.024 0.000 0.257 366 N C 0.246 175.745 175.510 -0.018 0.000 1.497 366 N CA -0.734 52.284 53.050 -0.054 0.000 0.861 366 N CB 0.216 38.672 38.487 -0.051 0.000 1.479 366 N HN -0.025 nan 8.380 nan 0.000 0.547 367 M N 0.166 119.751 119.600 -0.025 0.000 2.296 367 M HA 0.062 4.557 4.480 0.024 0.000 0.265 367 M C 0.288 176.615 176.300 0.044 0.000 1.064 367 M CA 1.611 56.927 55.300 0.027 0.000 1.109 367 M CB -0.799 31.810 32.600 0.015 0.000 1.396 367 M HN 0.571 nan 8.290 nan 0.000 0.430 368 D N -0.891 119.529 120.400 0.033 0.000 2.144 368 D HA -0.126 4.529 4.640 0.024 0.000 0.199 368 D C 1.802 178.148 176.300 0.075 0.000 0.984 368 D CA 1.802 55.837 54.000 0.058 0.000 0.834 368 D CB -0.369 40.466 40.800 0.058 0.000 0.955 368 D HN 0.368 nan 8.370 nan 0.000 0.465 369 T N 0.359 114.934 114.554 0.036 0.000 2.857 369 T HA -0.057 4.308 4.350 0.024 0.000 0.266 369 T C 2.260 176.985 174.700 0.042 0.000 1.048 369 T CA 0.434 62.537 62.100 0.005 0.000 1.139 369 T CB -0.164 68.617 68.868 -0.144 0.000 0.874 369 T HN -0.037 nan 8.240 nan 0.000 0.455 370 V N 1.732 121.676 119.914 0.049 0.000 2.287 370 V HA -0.161 3.974 4.120 0.024 0.000 0.248 370 V C 2.473 178.607 176.094 0.067 0.000 1.053 370 V CA 1.605 63.946 62.300 0.068 0.000 1.027 370 V CB -0.689 31.200 31.823 0.110 0.000 0.646 370 V HN 0.437 nan 8.190 nan 0.000 0.447 371 L N -0.202 121.067 121.223 0.076 0.000 2.046 371 L HA -0.188 4.166 4.340 0.024 0.000 0.208 371 L C 2.495 179.405 176.870 0.067 0.000 1.077 371 L CA 2.014 56.893 54.840 0.066 0.000 0.747 371 L CB -0.736 41.368 42.059 0.075 0.000 0.896 371 L HN 0.460 nan 8.230 nan 0.000 0.432 372 D N 0.141 120.611 120.400 0.118 0.000 2.077 372 D HA -0.159 4.495 4.640 0.024 0.000 0.193 372 D C 2.101 178.498 176.300 0.161 0.000 0.989 372 D CA 1.793 55.899 54.000 0.177 0.000 0.831 372 D CB 0.239 41.214 40.800 0.292 0.000 0.979 372 D HN 0.095 nan 8.370 nan 0.000 0.449 373 V N 1.484 121.516 119.914 0.197 0.000 2.323 373 V HA -0.143 3.992 4.120 0.024 0.000 0.244 373 V C 2.701 178.809 176.094 0.022 0.000 1.041 373 V CA 1.732 64.144 62.300 0.186 0.000 1.025 373 V CB -0.793 31.158 31.823 0.213 0.000 0.656 373 V HN 0.298 nan 8.190 nan 0.000 0.451 374 A N -0.297 122.521 122.820 -0.003 0.000 1.969 374 A HA -0.174 4.160 4.320 0.024 0.000 0.218 374 A C 2.369 179.851 177.584 -0.170 0.000 1.169 374 A CA 2.262 54.261 52.037 -0.063 0.000 0.635 374 A CB -0.782 18.190 19.000 -0.047 0.000 0.810 374 A HN 0.501 nan 8.150 nan 0.000 0.445 375 T N -0.560 113.868 114.554 -0.211 0.000 2.812 375 T HA -0.090 4.275 4.350 0.024 0.000 0.264 375 T C 1.899 176.266 174.700 -0.556 0.000 1.042 375 T CA 1.575 63.380 62.100 -0.493 0.000 1.140 375 T CB -0.162 68.499 68.868 -0.344 0.000 0.870 375 T HN 0.610 nan 8.240 nan 0.000 0.445 376 E N 1.036 121.078 120.200 -0.264 0.000 2.058 376 E HA -0.104 4.261 4.350 0.024 0.000 0.194 376 E C 2.064 178.620 176.600 -0.073 0.000 0.997 376 E CA 1.062 57.351 56.400 -0.186 0.000 0.801 376 E CB -0.505 28.907 29.700 -0.480 0.000 0.746 376 E HN 0.262 nan 8.360 nan 0.000 0.450 377 V N 0.114 119.990 119.914 -0.063 0.000 2.548 377 V HA -0.196 3.938 4.120 0.024 0.000 0.249 377 V C 2.260 178.330 176.094 -0.040 0.000 1.055 377 V CA 1.981 64.327 62.300 0.077 0.000 1.065 377 V CB -0.736 31.150 31.823 0.104 0.000 0.681 377 V HN 0.330 nan 8.190 nan 0.000 0.462 378 T N 0.488 114.941 114.554 -0.168 0.000 2.746 378 T HA -0.138 4.226 4.350 0.024 0.000 0.267 378 T C 1.685 176.304 174.700 -0.136 0.000 1.039 378 T CA 1.642 63.614 62.100 -0.213 0.000 1.142 378 T CB -0.349 68.326 68.868 -0.322 0.000 0.866 378 T HN 0.338 nan 8.240 nan 0.000 0.444 379 F N 0.236 120.103 119.950 -0.138 0.000 2.234 379 F HA 0.107 4.643 4.527 0.015 0.000 0.299 379 F C 2.092 177.746 175.800 -0.242 0.000 1.087 379 F CA -0.497 57.399 58.000 -0.173 0.000 1.340 379 F CB -1.260 37.678 39.000 -0.105 0.000 1.031 379 F HN 0.212 nan 8.300 nan 0.000 0.500 380 Y N 0.745 120.912 120.300 -0.223 0.000 2.114 380 Y HA -0.119 4.444 4.550 0.023 0.000 0.284 380 Y C 2.571 178.098 175.900 -0.620 0.000 1.143 380 Y CA 1.844 59.628 58.100 -0.527 0.000 1.135 380 Y CB -0.867 36.930 38.460 -1.104 0.000 0.980 380 Y HN 0.009 nan 8.280 nan 0.000 0.499 381 G N 0.476 108.858 108.800 -0.697 0.000 2.421 381 G HA2 -0.249 3.726 3.960 0.024 0.000 0.216 381 G HA3 -0.249 3.726 3.960 0.024 0.000 0.216 381 G C 1.681 176.091 174.900 -0.816 0.000 1.171 381 G CA 1.267 45.505 45.100 -1.436 0.000 0.775 381 G HN 0.463 nan 8.290 nan 0.000 0.543 382 L N 0.172 121.174 121.223 -0.368 0.000 2.079 382 L HA -0.076 4.278 4.340 0.024 0.000 0.210 382 L C 2.750 179.557 176.870 -0.105 0.000 1.081 382 L CA 1.582 56.347 54.840 -0.125 0.000 0.752 382 L CB -0.368 41.546 42.059 -0.242 0.000 0.896 382 L HN 0.368 nan 8.230 nan 0.000 0.433 383 E N -0.408 119.646 120.200 -0.244 0.000 2.204 383 E HA -0.222 4.143 4.350 0.024 0.000 0.194 383 E C 2.171 178.636 176.600 -0.225 0.000 0.989 383 E CA 0.689 56.965 56.400 -0.207 0.000 0.824 383 E CB 0.217 29.769 29.700 -0.247 0.000 0.756 383 E HN 0.435 nan 8.360 nan 0.000 0.477 384 Q N -0.375 119.193 119.800 -0.387 0.000 2.084 384 Q HA -0.190 4.165 4.340 0.024 0.000 0.202 384 Q C 1.884 177.828 176.000 -0.093 0.000 0.978 384 Q CA 1.340 57.032 55.803 -0.185 0.000 0.844 384 Q CB -0.656 27.948 28.738 -0.222 0.000 0.898 384 Q HN 0.502 nan 8.270 nan 0.000 0.426 385 Y N 1.459 121.752 120.300 -0.011 0.000 2.274 385 Y HA -0.128 4.437 4.550 0.024 0.000 0.290 385 Y C 2.189 178.086 175.900 -0.005 0.000 1.145 385 Y CA 1.059 59.167 58.100 0.013 0.000 1.203 385 Y CB -0.203 38.270 38.460 0.021 0.000 0.984 385 Y HN 0.251 nan 8.280 nan 0.000 0.533 386 E N -0.428 119.838 120.200 0.110 0.000 2.158 386 E HA -0.180 4.185 4.350 0.024 0.000 0.191 386 E C 1.822 178.391 176.600 -0.053 0.000 0.982 386 E CA 1.027 57.438 56.400 0.020 0.000 0.823 386 E CB 0.006 29.712 29.700 0.011 0.000 0.766 386 E HN 0.331 nan 8.360 nan 0.000 0.468 387 E N -0.233 119.902 120.200 -0.109 0.000 2.285 387 E HA -0.070 4.294 4.350 0.024 0.000 0.194 387 E C -0.494 175.831 176.600 -0.459 0.000 0.997 387 E CA 0.679 56.891 56.400 -0.313 0.000 0.845 387 E CB 0.278 29.711 29.700 -0.446 0.000 0.782 387 E HN 0.178 nan 8.360 nan 0.000 0.491 388 Y N -0.821 119.490 120.300 0.017 0.000 2.787 388 Y HA 0.303 4.867 4.550 0.023 0.000 0.352 388 Y C -2.005 173.912 175.900 0.028 0.000 1.027 388 Y CA -2.640 55.487 58.100 0.044 0.000 1.219 388 Y CB 1.547 40.063 38.460 0.094 0.000 1.110 388 Y HN 0.030 nan 8.280 nan 0.000 0.614 389 P HA -0.268 nan 4.420 nan 0.000 0.217 389 P C 1.394 178.715 177.300 0.035 0.000 1.148 389 P CA 2.186 65.311 63.100 0.042 0.000 0.834 389 P CB 0.438 32.124 31.700 -0.023 0.000 0.783 390 A N -1.230 121.627 122.820 0.062 0.000 2.014 390 A HA -0.126 4.209 4.320 0.024 0.000 0.218 390 A C 2.061 179.778 177.584 0.220 0.000 1.163 390 A CA 1.033 53.092 52.037 0.037 0.000 0.652 390 A CB -1.450 17.662 19.000 0.187 0.000 0.808 390 A HN 0.158 nan 8.150 nan 0.000 0.449 391 L N -0.847 120.488 121.223 0.188 0.000 2.056 391 L HA -0.055 4.300 4.340 0.024 0.000 0.207 391 L C 2.189 179.214 176.870 0.258 0.000 1.078 391 L CA 1.743 56.647 54.840 0.108 0.000 0.749 391 L CB -0.460 41.503 42.059 -0.159 0.000 0.901 391 L HN 0.340 nan 8.230 nan 0.000 0.433 392 L N -0.283 121.105 121.223 0.276 0.000 2.093 392 L HA -0.179 4.175 4.340 0.024 0.000 0.208 392 L C 2.445 179.410 176.870 0.158 0.000 1.085 392 L CA 2.010 56.978 54.840 0.214 0.000 0.755 392 L CB -0.701 41.439 42.059 0.136 0.000 0.904 392 L HN 0.533 nan 8.230 nan 0.000 0.435 393 E N -1.157 119.133 120.200 0.150 0.000 2.208 393 E HA -0.249 4.116 4.350 0.024 0.000 0.193 393 E C 1.739 178.548 176.600 0.349 0.000 0.988 393 E CA 1.054 57.559 56.400 0.175 0.000 0.828 393 E CB -0.050 29.655 29.700 0.008 0.000 0.763 393 E HN 0.616 nan 8.360 nan 0.000 0.478 394 D N 0.554 121.175 120.400 0.367 0.000 2.091 394 D HA -0.129 4.525 4.640 0.024 0.000 0.199 394 D C 0.451 176.944 176.300 0.321 0.000 0.980 394 D CA 1.033 55.263 54.000 0.383 0.000 0.831 394 D CB 0.078 41.059 40.800 0.303 0.000 0.987 394 D HN 0.141 nan 8.370 nan 0.000 0.460 395 Q N 0.489 120.407 119.800 0.197 0.000 2.963 395 Q HA 0.152 4.507 4.340 0.024 0.000 0.262 395 Q C 0.282 176.233 176.000 -0.082 0.000 1.318 395 Q CA -0.429 55.372 55.803 -0.002 0.000 1.089 395 Q CB -0.018 28.751 28.738 0.051 0.000 1.424 395 Q HN 0.453 nan 8.270 nan 0.000 0.560 396 F N -1.180 118.778 119.950 0.013 0.000 2.456 396 F HA 0.195 4.737 4.527 0.024 0.000 0.298 396 F C 1.036 176.801 175.800 -0.059 0.000 1.104 396 F CA -0.419 57.569 58.000 -0.021 0.000 1.435 396 F CB -0.159 38.844 39.000 0.006 0.000 1.078 396 F HN 0.120 nan 8.300 nan 0.000 0.546 397 G N 0.280 108.853 108.800 -0.377 0.000 2.372 397 G HA2 0.410 4.384 3.960 0.024 0.000 0.283 397 G HA3 0.410 4.384 3.960 0.024 0.000 0.283 397 G C 0.965 175.770 174.900 -0.159 0.000 1.177 397 G CA -0.249 44.743 45.100 -0.181 0.000 0.842 397 G HN 0.364 nan 8.290 nan 0.000 0.503 398 G N 1.394 110.137 108.800 -0.096 0.000 2.422 398 G HA2 -0.090 3.885 3.960 0.024 0.000 0.218 398 G HA3 -0.090 3.885 3.960 0.024 0.000 0.218 398 G C 1.284 176.017 174.900 -0.278 0.000 1.146 398 G CA 1.069 46.074 45.100 -0.158 0.000 0.769 398 G HN 0.660 nan 8.290 nan 0.000 0.547 402 A N 1.702 124.459 122.820 -0.105 0.000 1.908 402 A HA -0.036 4.298 4.320 0.024 0.000 0.218 402 A C 2.216 179.639 177.584 -0.267 0.000 1.181 402 A CA 2.216 54.091 52.037 -0.270 0.000 0.627 402 A CB -0.547 18.030 19.000 -0.705 0.000 0.818 402 A HN 0.387 nan 8.150 nan 0.000 0.445 403 A N -0.837 121.872 122.820 -0.184 0.000 1.898 403 A HA 0.048 4.382 4.320 0.024 0.000 0.216 403 A C 2.239 179.829 177.584 0.011 0.000 1.181 403 A CA 1.723 53.719 52.037 -0.069 0.000 0.620 403 A CB -0.818 18.225 19.000 0.071 0.000 0.819 403 A HN 0.374 nan 8.150 nan 0.000 0.442 404 V N -0.544 119.407 119.914 0.062 0.000 2.379 404 V HA -0.186 3.949 4.120 0.024 0.000 0.245 404 V C 2.573 178.811 176.094 0.241 0.000 1.044 404 V CA 1.851 64.235 62.300 0.141 0.000 1.036 404 V CB -0.535 31.371 31.823 0.138 0.000 0.664 404 V HN 0.361 nan 8.190 nan 0.000 0.453 405 V N 0.296 120.361 119.914 0.250 0.000 2.307 405 V HA -0.215 3.920 4.120 0.024 0.000 0.245 405 V C 2.653 178.761 176.094 0.023 0.000 1.045 405 V CA 2.047 64.472 62.300 0.209 0.000 1.024 405 V CB -0.974 30.919 31.823 0.117 0.000 0.651 405 V HN 0.552 nan 8.190 nan 0.000 0.449 406 A N -0.304 122.398 122.820 -0.196 0.000 1.968 406 A HA 0.032 4.366 4.320 0.024 0.000 0.217 406 A C 2.385 179.946 177.584 -0.039 0.000 1.169 406 A CA 1.651 53.434 52.037 -0.423 0.000 0.638 406 A CB -0.586 17.591 19.000 -1.371 0.000 0.812 406 A HN 0.537 nan 8.150 nan 0.000 0.446 407 A N 0.163 123.083 122.820 0.165 0.000 1.877 407 A HA 0.137 4.472 4.320 0.024 0.000 0.216 407 A C 2.500 180.173 177.584 0.149 0.000 1.186 407 A CA 2.066 54.288 52.037 0.308 0.000 0.620 407 A CB -1.028 18.124 19.000 0.254 0.000 0.822 407 A HN 1.025 nan 8.150 nan 0.000 0.443 408 A N -0.265 122.650 122.820 0.159 0.000 1.933 408 A HA 0.173 4.507 4.320 0.024 0.000 0.218 408 A C 2.484 180.117 177.584 0.081 0.000 1.175 408 A CA 2.068 54.200 52.037 0.157 0.000 0.628 408 A CB -0.941 18.250 19.000 0.319 0.000 0.814 408 A HN 1.034 nan 8.150 nan 0.000 0.444 409 A N -0.531 122.322 122.820 0.056 0.000 1.898 409 A HA 0.157 4.492 4.320 0.024 0.000 0.216 409 A C 2.394 179.970 177.584 -0.012 0.000 1.181 409 A CA 1.877 53.916 52.037 0.003 0.000 0.620 409 A CB -1.298 17.667 19.000 -0.057 0.000 0.819 409 A HN 0.681 nan 8.150 nan 0.000 0.442 410 G N -1.096 107.718 108.800 0.024 0.000 2.394 410 G HA2 -0.200 3.775 3.960 0.024 0.000 0.215 410 G HA3 -0.200 3.775 3.960 0.024 0.000 0.215 410 G C 1.586 176.409 174.900 -0.128 0.000 1.165 410 G CA 1.220 46.325 45.100 0.008 0.000 0.784 410 G HN 0.505 nan 8.290 nan 0.000 0.535 411 C N 0.779 119.959 119.300 -0.199 0.000 2.432 411 C HA -0.021 4.454 4.460 0.024 0.000 0.277 411 C C 3.408 177.898 174.990 -0.834 0.000 1.249 411 C CA 1.398 60.098 59.018 -0.530 0.000 1.725 411 C CB -0.818 26.623 27.740 -0.498 0.000 2.028 411 C HN 0.407 nan 8.230 nan 0.000 0.477 412 S N 0.266 115.714 115.700 -0.420 0.000 2.382 412 S HA -0.163 4.322 4.470 0.024 0.000 0.228 412 S C 1.864 176.425 174.600 -0.065 0.000 1.027 412 S CA 1.942 60.051 58.200 -0.151 0.000 0.991 412 S CB -0.554 62.691 63.200 0.077 0.000 0.823 412 S HN 0.717 nan 8.310 nan 0.000 0.469 413 T N 2.359 116.867 114.554 -0.076 0.000 2.746 413 T HA -0.048 4.316 4.350 0.024 0.000 0.267 413 T C 2.113 176.771 174.700 -0.069 0.000 1.039 413 T CA 1.271 63.348 62.100 -0.037 0.000 1.142 413 T CB -0.449 68.406 68.868 -0.022 0.000 0.866 413 T HN 0.474 nan 8.240 nan 0.000 0.444 414 A N 0.859 123.594 122.820 -0.142 0.000 1.969 414 A HA 0.062 4.396 4.320 0.024 0.000 0.218 414 A C 1.808 179.378 177.584 -0.023 0.000 1.169 414 A CA 0.971 52.935 52.037 -0.122 0.000 0.635 414 A CB -0.800 18.091 19.000 -0.182 0.000 0.810 414 A HN 0.433 nan 8.150 nan 0.000 0.445 415 F N 0.113 120.044 119.950 -0.032 0.000 2.365 415 F HA 0.011 4.551 4.527 0.022 0.000 0.300 415 F C 2.579 178.354 175.800 -0.042 0.000 1.090 415 F CA 0.142 58.123 58.000 -0.031 0.000 1.408 415 F CB -0.876 38.120 39.000 -0.006 0.000 1.060 415 F HN 0.287 nan 8.300 nan 0.000 0.534 416 A N -0.139 122.746 122.820 0.109 0.000 1.855 416 A HA -0.101 4.234 4.320 0.024 0.000 0.213 416 A C 2.244 179.764 177.584 -0.106 0.000 1.195 416 A CA 1.933 53.945 52.037 -0.042 0.000 0.610 416 A CB -1.186 17.719 19.000 -0.158 0.000 0.837 416 A HN 0.357 nan 8.150 nan 0.000 0.444 417 T N -4.333 110.167 114.554 -0.090 0.000 3.067 417 T HA 0.365 4.730 4.350 0.024 0.000 0.257 417 T C 1.465 176.128 174.700 -0.061 0.000 1.105 417 T CA 1.178 63.224 62.100 -0.090 0.000 1.104 417 T CB -0.101 68.725 68.868 -0.069 0.000 0.925 417 T HN 1.711 nan 8.240 nan 0.000 0.498 418 G N 1.630 110.401 108.800 -0.048 0.000 2.168 418 G HA2 -0.258 3.716 3.960 0.024 0.000 0.257 418 G HA3 -0.258 3.716 3.960 0.024 0.000 0.257 418 G C -0.096 174.731 174.900 -0.121 0.000 0.997 418 G CA 0.244 45.299 45.100 -0.075 0.000 0.708 418 G HN 0.838 nan 8.290 nan 0.000 0.520 419 N N -0.672 117.970 118.700 -0.097 0.000 2.397 419 N HA 0.568 5.322 4.740 0.024 0.000 0.291 419 N C 1.008 176.473 175.510 -0.076 0.000 1.065 419 N CA 0.278 53.278 53.050 -0.084 0.000 0.884 419 N CB 1.536 40.008 38.487 -0.025 0.000 1.551 419 N HN 0.343 nan 8.380 nan 0.000 0.487 420 A N 2.729 125.497 122.820 -0.087 0.000 2.015 420 A HA -0.124 4.211 4.320 0.024 0.000 0.219 420 A C 1.766 179.299 177.584 -0.085 0.000 1.163 420 A CA 1.316 53.302 52.037 -0.086 0.000 0.646 420 A CB -0.130 18.835 19.000 -0.058 0.000 0.806 420 A HN 0.718 nan 8.150 nan 0.000 0.448 421 Q N -0.137 119.637 119.800 -0.044 0.000 2.083 421 Q HA -0.097 4.257 4.340 0.024 0.000 0.198 421 Q C 2.219 178.202 176.000 -0.029 0.000 0.969 421 Q CA 2.289 58.046 55.803 -0.076 0.000 0.838 421 Q CB -0.512 28.251 28.738 0.041 0.000 0.900 421 Q HN 0.768 nan 8.270 nan 0.000 0.436 422 T N -3.136 111.489 114.554 0.117 0.000 2.867 422 T HA -0.041 4.324 4.350 0.024 0.000 0.268 422 T C 1.877 176.601 174.700 0.041 0.000 1.057 422 T CA 0.955 63.152 62.100 0.162 0.000 1.136 422 T CB -0.820 68.135 68.868 0.145 0.000 0.874 422 T HN 0.335 nan 8.240 nan 0.000 0.466 423 G N 1.728 110.510 108.800 -0.029 0.000 2.440 423 G HA2 -0.155 3.820 3.960 0.024 0.000 0.218 423 G HA3 -0.155 3.820 3.960 0.024 0.000 0.218 423 G C 1.435 176.296 174.900 -0.064 0.000 1.154 423 G CA 1.021 46.083 45.100 -0.064 0.000 0.767 423 G HN 0.474 nan 8.290 nan 0.000 0.552 424 L N 0.859 122.007 121.223 -0.124 0.000 2.046 424 L HA 0.045 4.399 4.340 0.024 0.000 0.208 424 L C 2.883 179.706 176.870 -0.079 0.000 1.077 424 L CA 2.393 57.117 54.840 -0.194 0.000 0.747 424 L CB -0.734 41.154 42.059 -0.285 0.000 0.896 424 L HN 0.217 nan 8.230 nan 0.000 0.432 425 S N -0.645 115.043 115.700 -0.020 0.000 2.383 425 S HA -0.139 4.346 4.470 0.024 0.000 0.229 425 S C 2.023 176.696 174.600 0.120 0.000 1.030 425 S CA 1.215 59.490 58.200 0.124 0.000 1.002 425 S CB -0.806 62.519 63.200 0.209 0.000 0.829 425 S HN 0.686 nan 8.310 nan 0.000 0.467 426 G N 0.915 109.754 108.800 0.065 0.000 2.418 426 G HA2 -0.236 3.738 3.960 0.024 0.000 0.217 426 G HA3 -0.236 3.738 3.960 0.024 0.000 0.217 426 G C 1.326 176.222 174.900 -0.008 0.000 1.158 426 G CA 0.871 45.989 45.100 0.029 0.000 0.771 426 G HN 0.669 nan 8.290 nan 0.000 0.545 427 W N 0.787 121.951 121.300 -0.226 0.000 2.335 427 W HA -0.166 4.508 4.660 0.024 0.000 0.311 427 W C 2.019 178.317 176.519 -0.369 0.000 1.213 427 W CA 1.476 58.634 57.345 -0.312 0.000 1.274 427 W CB -0.585 28.623 29.460 -0.420 0.000 1.148 427 W HN 0.337 nan 8.180 nan 0.000 0.498 428 Y N 0.615 120.957 120.300 0.069 0.000 2.200 428 Y HA -0.217 4.347 4.550 0.023 0.000 0.290 428 Y C 2.583 178.064 175.900 -0.698 0.000 1.137 428 Y CA 1.629 59.549 58.100 -0.300 0.000 1.163 428 Y CB -1.646 36.749 38.460 -0.108 0.000 0.988 428 Y HN -0.078 nan 8.280 nan 0.000 0.518 429 L N -0.638 120.476 121.223 -0.181 0.000 2.079 429 L HA -0.203 4.152 4.340 0.024 0.000 0.210 429 L C 2.571 179.338 176.870 -0.171 0.000 1.081 429 L CA 2.039 56.822 54.840 -0.094 0.000 0.752 429 L CB -1.151 40.932 42.059 0.041 0.000 0.896 429 L HN 0.211 nan 8.230 nan 0.000 0.433 430 S N -1.094 114.466 115.700 -0.233 0.000 2.359 430 S HA -0.229 4.256 4.470 0.024 0.000 0.224 430 S C 2.080 176.548 174.600 -0.219 0.000 1.035 430 S CA 1.774 59.833 58.200 -0.235 0.000 1.018 430 S CB -0.200 62.827 63.200 -0.288 0.000 0.876 430 S HN 0.471 nan 8.310 nan 0.000 0.448 431 M N 0.252 119.626 119.600 -0.378 0.000 2.106 431 M HA -0.104 4.391 4.480 0.024 0.000 0.259 431 M C 2.013 178.273 176.300 -0.066 0.000 1.068 431 M CA 1.599 56.726 55.300 -0.288 0.000 1.100 431 M CB -1.810 30.591 32.600 -0.331 0.000 1.351 431 M HN 0.442 nan 8.290 nan 0.000 0.404 432 Y N 0.271 120.583 120.300 0.021 0.000 2.200 432 Y HA -0.058 4.505 4.550 0.022 0.000 0.290 432 Y C 2.477 178.401 175.900 0.040 0.000 1.137 432 Y CA 0.703 58.826 58.100 0.038 0.000 1.163 432 Y CB -1.365 37.126 38.460 0.051 0.000 0.988 432 Y HN 0.145 nan 8.280 nan 0.000 0.518 433 L N -1.087 120.242 121.223 0.177 0.000 2.027 433 L HA -0.244 4.111 4.340 0.024 0.000 0.206 433 L C 2.510 179.467 176.870 0.146 0.000 1.074 433 L CA 1.870 56.791 54.840 0.135 0.000 0.745 433 L CB -0.755 41.311 42.059 0.011 0.000 0.898 433 L HN 0.333 nan 8.230 nan 0.000 0.433 434 H N 0.437 119.487 119.070 -0.034 0.000 2.352 434 H HA -0.244 4.326 4.556 0.024 0.000 0.299 434 H C 2.435 177.733 175.328 -0.050 0.000 1.097 434 H CA 1.815 57.809 56.048 -0.089 0.000 1.311 434 H CB 0.249 29.934 29.762 -0.128 0.000 1.377 434 H HN 0.152 nan 8.280 nan 0.000 0.504 435 K N 0.176 120.660 120.400 0.139 0.000 2.103 435 K HA -0.161 4.173 4.320 0.024 0.000 0.207 435 K C 1.871 178.533 176.600 0.104 0.000 1.048 435 K CA 1.749 58.087 56.287 0.085 0.000 0.930 435 K CB 0.172 32.720 32.500 0.080 0.000 0.716 435 K HN 0.320 nan 8.250 nan 0.000 0.444 436 E N 0.570 120.836 120.200 0.109 0.000 2.152 436 E HA -0.190 4.175 4.350 0.024 0.000 0.192 436 E C 1.944 178.589 176.600 0.074 0.000 0.983 436 E CA 0.969 57.421 56.400 0.087 0.000 0.818 436 E CB -0.081 29.672 29.700 0.088 0.000 0.758 436 E HN 0.513 nan 8.360 nan 0.000 0.467 437 Q N 0.075 119.906 119.800 0.052 0.000 2.046 437 Q HA -0.124 4.230 4.340 0.024 0.000 0.200 437 Q C 1.113 177.147 176.000 0.056 0.000 0.975 437 Q CA 1.450 57.234 55.803 -0.032 0.000 0.836 437 Q CB -0.005 28.612 28.738 -0.200 0.000 0.896 437 Q HN 0.469 nan 8.270 nan 0.000 0.428 438 H N -1.440 117.677 119.070 0.078 0.000 2.652 438 H HA 0.246 4.818 4.556 0.026 0.000 0.274 438 H C 0.030 175.382 175.328 0.040 0.000 1.021 438 H CA 0.095 56.174 56.048 0.050 0.000 1.187 438 H CB 0.935 30.735 29.762 0.064 0.000 1.505 438 H HN 0.160 nan 8.280 nan 0.000 0.530 439 S N 0.898 116.688 115.700 0.150 0.000 3.581 439 S HA -0.216 4.269 4.470 0.024 0.000 0.354 439 S C 0.010 174.647 174.600 0.062 0.000 1.059 439 S CA 1.045 59.294 58.200 0.083 0.000 1.060 439 S CB -0.942 62.291 63.200 0.055 0.000 0.908 439 S HN 0.812 nan 8.310 nan 0.000 0.475 440 R N -1.906 118.639 120.500 0.075 0.000 2.765 440 R HA 0.717 5.072 4.340 0.024 0.000 0.277 440 R C -0.657 175.618 176.300 -0.041 0.000 1.028 440 R CA -0.896 55.212 56.100 0.013 0.000 0.860 440 R CB 0.172 30.480 30.300 0.013 0.000 1.270 440 R HN 0.216 nan 8.270 nan 0.000 0.484 441 L N -0.767 120.369 121.223 -0.146 0.000 3.909 441 L HA 0.681 5.035 4.340 0.024 0.000 0.209 441 L C 0.296 176.925 176.870 -0.402 0.000 1.206 441 L CA 1.034 55.654 54.840 -0.366 0.000 1.361 441 L CB 0.576 42.479 42.059 -0.260 0.000 1.798 441 L HN 0.885 nan 8.230 nan 0.000 0.767 442 G N -1.098 107.477 108.800 -0.375 0.000 3.122 442 G HA2 0.357 4.331 3.960 0.024 0.000 0.180 442 G HA3 0.357 4.331 3.960 0.024 0.000 0.180 442 G C -0.640 174.210 174.900 -0.083 0.000 1.279 442 G CA -0.011 44.850 45.100 -0.398 0.000 0.987 442 G HN 0.432 nan 8.290 nan 0.000 0.589 443 F N -1.069 118.918 119.950 0.062 0.000 2.408 443 F HA 0.622 5.164 4.527 0.025 0.000 0.303 443 F C 0.644 176.573 175.800 0.214 0.000 1.268 443 F CA -1.706 56.383 58.000 0.148 0.000 1.218 443 F CB 0.001 39.129 39.000 0.212 0.000 1.283 443 F HN 0.443 nan 8.300 nan 0.000 0.545 447 D N 2.402 122.765 120.400 -0.062 0.000 2.738 447 D HA 0.087 4.742 4.640 0.024 0.000 0.246 447 D C 1.522 177.833 176.300 0.018 0.000 1.270 447 D CA 0.091 54.122 54.000 0.051 0.000 0.833 447 D CB 0.161 41.071 40.800 0.184 0.000 1.040 447 D HN 0.597 nan 8.370 nan 0.000 0.487 448 L N 0.894 122.084 121.223 -0.055 0.000 1.970 448 L HA -0.282 4.073 4.340 0.024 0.000 0.212 448 L C 2.564 179.439 176.870 0.009 0.000 1.071 448 L CA 1.975 56.801 54.840 -0.024 0.000 0.751 448 L CB -0.282 41.755 42.059 -0.038 0.000 0.889 448 L HN 0.084 nan 8.230 nan 0.000 0.432 449 Q N -0.917 118.882 119.800 -0.002 0.000 2.230 449 Q HA -0.198 4.157 4.340 0.024 0.000 0.202 449 Q C 1.411 177.511 176.000 0.167 0.000 0.963 449 Q CA 1.528 57.404 55.803 0.122 0.000 0.866 449 Q CB -0.603 28.280 28.738 0.241 0.000 0.931 449 Q HN 0.636 nan 8.270 nan 0.000 0.452 450 D N 0.993 121.529 120.400 0.228 0.000 2.144 450 D HA -0.130 4.525 4.640 0.024 0.000 0.199 450 D C 0.805 177.254 176.300 0.249 0.000 0.984 450 D CA 1.020 55.215 54.000 0.325 0.000 0.834 450 D CB -0.021 41.068 40.800 0.481 0.000 0.955 450 D HN 0.175 nan 8.370 nan 0.000 0.465 454 A N 1.087 123.803 122.820 -0.172 0.000 1.883 454 A HA 0.031 4.366 4.320 0.024 0.000 0.217 454 A C 2.550 180.167 177.584 0.055 0.000 1.186 454 A CA 3.070 55.168 52.037 0.102 0.000 0.624 454 A CB -0.902 18.281 19.000 0.305 0.000 0.822 454 A HN 1.009 nan 8.150 nan 0.000 0.444 455 S N -0.230 115.484 115.700 0.024 0.000 2.382 455 S HA -0.149 4.335 4.470 0.024 0.000 0.228 455 S C 1.690 176.301 174.600 0.019 0.000 1.027 455 S CA 1.534 59.757 58.200 0.038 0.000 0.991 455 S CB -0.492 62.715 63.200 0.013 0.000 0.823 455 S HN 0.620 nan 8.310 nan 0.000 0.469 456 N N 0.795 119.473 118.700 -0.038 0.000 2.467 456 N HA 0.105 4.859 4.740 0.024 0.000 0.184 456 N C 1.394 176.862 175.510 -0.070 0.000 1.106 456 N CA 0.320 53.357 53.050 -0.022 0.000 0.892 456 N CB -0.088 38.406 38.487 0.010 0.000 0.969 456 N HN 0.242 nan 8.380 nan 0.000 0.454 457 V N -0.182 119.639 119.914 -0.155 0.000 2.343 457 V HA -0.142 3.992 4.120 0.024 0.000 0.247 457 V C 0.903 176.686 176.094 -0.518 0.000 1.051 457 V CA 1.471 63.528 62.300 -0.405 0.000 1.036 457 V CB -0.389 31.011 31.823 -0.706 0.000 0.654 457 V HN 0.159 nan 8.190 nan 0.000 0.451 458 F N -0.749 119.218 119.950 0.029 0.000 2.654 458 F HA 0.389 4.930 4.527 0.024 0.000 0.303 458 F C 1.236 177.042 175.800 0.010 0.000 1.099 458 F CA -0.251 57.758 58.000 0.015 0.000 1.270 458 F CB -0.039 38.973 39.000 0.020 0.000 1.024 458 F HN -0.055 nan 8.300 nan 0.000 0.548 459 S N 1.245 117.014 115.700 0.116 0.000 2.579 459 S HA 0.218 4.702 4.470 0.024 0.000 0.275 459 S C 0.903 175.540 174.600 0.062 0.000 1.345 459 S CA -0.271 57.976 58.200 0.079 0.000 1.031 459 S CB 0.455 63.680 63.200 0.042 0.000 0.892 459 S HN 0.303 nan 8.310 nan 0.000 0.529 460 I N 0.888 121.486 120.570 0.047 0.000 4.009 460 I HA 0.451 4.636 4.170 0.024 0.000 0.331 460 I C 0.599 176.726 176.117 0.016 0.000 1.462 460 I CA -0.345 60.975 61.300 0.033 0.000 1.117 460 I CB -0.221 37.799 38.000 0.034 0.000 1.091 460 I HN 0.331 nan 8.210 nan 0.000 0.410 461 R N 1.168 121.673 120.500 0.008 0.000 2.637 461 R HA 0.423 4.778 4.340 0.024 0.000 0.269 461 R C 1.576 177.864 176.300 -0.019 0.000 1.089 461 R CA 0.246 56.342 56.100 -0.007 0.000 1.177 461 R CB 0.348 30.639 30.300 -0.014 0.000 1.091 461 R HN 0.277 nan 8.270 nan 0.000 0.540 462 G N 1.416 110.199 108.800 -0.028 0.000 2.649 462 G HA2 -0.343 3.631 3.960 0.024 0.000 0.220 462 G HA3 -0.343 3.631 3.960 0.024 0.000 0.220 462 G C 0.708 175.573 174.900 -0.058 0.000 1.189 462 G CA 1.624 46.702 45.100 -0.037 0.000 0.777 462 G HN 0.811 nan 8.290 nan 0.000 0.602 463 D N -0.603 119.743 120.400 -0.090 0.000 2.463 463 D HA 0.185 4.840 4.640 0.024 0.000 0.224 463 D C 1.332 177.502 176.300 -0.218 0.000 1.174 463 D CA 0.081 53.985 54.000 -0.159 0.000 0.829 463 D CB 0.181 40.871 40.800 -0.184 0.000 0.993 463 D HN 0.504 nan 8.370 nan 0.000 0.497 464 E N -0.113 120.026 120.200 -0.101 0.000 2.357 464 E HA 0.208 4.573 4.350 0.024 0.000 0.202 464 E C 1.095 177.759 176.600 0.107 0.000 0.855 464 E CA 0.058 56.437 56.400 -0.036 0.000 1.048 464 E CB 0.346 30.028 29.700 -0.030 0.000 1.037 464 E HN 0.217 nan 8.360 nan 0.000 0.499 465 G N 1.810 110.638 108.800 0.047 0.000 2.355 465 G HA2 0.527 4.501 3.960 0.024 0.000 0.276 465 G HA3 0.527 4.501 3.960 0.024 0.000 0.276 465 G C -0.685 174.228 174.900 0.023 0.000 1.198 465 G CA -0.029 45.093 45.100 0.035 0.000 0.876 465 G HN -0.014 nan 8.290 nan 0.000 0.478 466 L N 3.090 124.295 121.223 -0.030 0.000 2.643 466 L HA 0.243 4.597 4.340 0.024 0.000 0.257 466 L C -2.552 174.231 176.870 -0.145 0.000 0.922 466 L CA -1.641 53.150 54.840 -0.082 0.000 0.909 466 L CB 3.264 45.259 42.059 -0.108 0.000 1.424 466 L HN 0.368 nan 8.230 nan 0.000 0.422 467 P HA 0.003 nan 4.420 nan 0.000 0.267 467 P C 0.431 177.604 177.300 -0.211 0.000 1.200 467 P CA -0.244 62.774 63.100 -0.137 0.000 0.772 467 P CB 0.664 32.304 31.700 -0.100 0.000 0.855 468 L N 3.556 124.659 121.223 -0.200 0.000 2.083 468 L HA -0.194 4.161 4.340 0.024 0.000 0.209 468 L C 1.731 178.507 176.870 -0.157 0.000 1.083 468 L CA 2.020 56.735 54.840 -0.208 0.000 0.752 468 L CB -1.085 40.848 42.059 -0.209 0.000 0.899 468 L HN 0.275 nan 8.230 nan 0.000 0.433 469 E N -0.557 119.526 120.200 -0.196 0.000 2.160 469 E HA -0.215 4.150 4.350 0.024 0.000 0.195 469 E C 1.934 178.132 176.600 -0.670 0.000 0.991 469 E CA 1.487 57.699 56.400 -0.312 0.000 0.810 469 E CB -0.304 29.205 29.700 -0.318 0.000 0.742 469 E HN 0.392 nan 8.360 nan 0.000 0.466 470 L N 0.153 120.980 121.223 -0.660 0.000 2.446 470 L HA 0.075 4.429 4.340 0.024 0.000 0.219 470 L C 0.832 177.450 176.870 -0.419 0.000 1.116 470 L CA 0.631 55.083 54.840 -0.645 0.000 0.844 470 L CB -0.068 41.757 42.059 -0.390 0.000 0.970 470 L HN -0.078 nan 8.230 nan 0.000 0.457 471 R N -0.789 119.485 120.500 -0.376 0.000 2.726 471 R HA 0.524 4.878 4.340 0.024 0.000 0.272 471 R C 0.274 176.069 176.300 -0.843 0.000 1.097 471 R CA 0.463 56.306 56.100 -0.428 0.000 1.198 471 R CB 0.272 30.353 30.300 -0.365 0.000 1.114 471 R HN 0.192 nan 8.270 nan 0.000 0.550 472 G N -0.373 107.824 108.800 -1.005 0.000 2.561 472 G HA2 0.215 4.190 3.960 0.024 0.000 0.310 472 G HA3 0.215 4.190 3.960 0.024 0.000 0.310 472 G C -2.576 171.888 174.900 -0.727 0.000 1.292 472 G CA -0.779 43.371 45.100 -1.582 0.000 0.811 472 G HN 0.269 nan 8.290 nan 0.000 0.482 473 P HA 0.031 nan 4.420 nan 0.000 0.234 473 P C 0.883 178.177 177.300 -0.010 0.000 1.167 473 P CA 0.955 63.966 63.100 -0.148 0.000 0.763 473 P CB 0.266 31.775 31.700 -0.318 0.000 0.835 474 N N -1.991 116.638 118.700 -0.118 0.000 2.236 474 N HA -0.027 4.728 4.740 0.024 0.000 0.196 474 N C -0.106 175.351 175.510 -0.088 0.000 1.114 474 N CA -0.473 52.533 53.050 -0.074 0.000 0.859 474 N CB -0.407 38.001 38.487 -0.132 0.000 0.982 474 N HN -0.040 nan 8.380 nan 0.000 0.493 475 Y N 1.277 121.437 120.300 -0.233 0.000 2.610 475 Y HA 0.132 4.696 4.550 0.025 0.000 0.332 475 Y C -1.589 174.138 175.900 -0.288 0.000 1.201 475 Y CA -1.438 56.459 58.100 -0.337 0.000 1.465 475 Y CB 0.823 38.956 38.460 -0.545 0.000 1.283 475 Y HN 0.111 nan 8.280 nan 0.000 0.563 476 P HA -0.190 nan 4.420 nan 0.000 0.215 476 P C 0.567 177.686 177.300 -0.300 0.000 1.157 476 P CA 2.403 65.234 63.100 -0.448 0.000 0.868 476 P CB 0.147 31.566 31.700 -0.468 0.000 0.788 477 N N -2.088 116.354 118.700 -0.431 0.000 2.364 477 N HA -0.159 4.596 4.740 0.024 0.000 0.183 477 N C 0.745 176.380 175.510 0.208 0.000 1.022 477 N CA 0.586 53.583 53.050 -0.088 0.000 0.883 477 N CB -0.265 38.223 38.487 0.003 0.000 0.965 477 N HN 0.201 nan 8.380 nan 0.000 0.438 478 Y N 0.002 120.377 120.300 0.125 0.000 2.468 478 Y HA 0.379 4.943 4.550 0.024 0.000 0.268 478 Y C 1.718 177.665 175.900 0.078 0.000 1.177 478 Y CA -1.140 57.043 58.100 0.137 0.000 1.265 478 Y CB -0.573 38.067 38.460 0.299 0.000 1.103 478 Y HN 0.008 nan 8.280 nan 0.000 0.522 479 A N -0.627 122.298 122.820 0.174 0.000 2.119 479 A HA -0.050 4.285 4.320 0.024 0.000 0.217 479 A C 1.949 179.611 177.584 0.129 0.000 1.153 479 A CA 1.216 53.341 52.037 0.147 0.000 0.692 479 A CB -0.289 18.751 19.000 0.068 0.000 0.799 479 A HN 0.392 nan 8.150 nan 0.000 0.458 480 M N -1.579 118.074 119.600 0.089 0.000 2.638 480 M HA 0.178 4.673 4.480 0.024 0.000 0.256 480 M C -0.301 176.032 176.300 0.056 0.000 1.282 480 M CA 0.314 55.648 55.300 0.056 0.000 1.155 480 M CB 0.411 33.042 32.600 0.051 0.000 1.345 480 M HN 0.250 nan 8.290 nan 0.000 0.523 481 N N -0.325 118.401 118.700 0.043 0.000 2.314 481 N HA 0.424 5.178 4.740 0.024 0.000 0.304 481 N C -1.070 174.446 175.510 0.011 0.000 1.073 481 N CA -0.500 52.583 53.050 0.056 0.000 0.822 481 N CB 2.963 41.497 38.487 0.077 0.000 1.280 481 N HN -0.161 nan 8.380 nan 0.000 0.489 482 V N 1.362 121.186 119.914 -0.150 0.000 3.376 482 V HA 0.344 4.479 4.120 0.024 0.000 0.303 482 V C 1.243 177.328 176.094 -0.015 0.000 1.100 482 V CA 1.304 63.437 62.300 -0.280 0.000 1.126 482 V CB 0.670 31.850 31.823 -1.072 0.000 1.085 482 V HN 0.974 nan 8.190 nan 0.000 0.480 483 G N 2.813 111.590 108.800 -0.040 0.000 2.147 483 G HA2 -0.252 3.722 3.960 0.024 0.000 0.244 483 G HA3 -0.252 3.722 3.960 0.024 0.000 0.244 483 G C 0.126 174.929 174.900 -0.161 0.000 1.005 483 G CA 1.013 46.134 45.100 0.035 0.000 0.713 483 G HN 1.117 nan 8.290 nan 0.000 0.515 484 H N -2.015 116.908 119.070 -0.245 0.000 2.276 484 H HA 0.222 4.792 4.556 0.024 0.000 0.199 484 H C 2.390 177.060 175.328 -1.096 0.000 0.867 484 H CA 0.725 56.335 56.048 -0.730 0.000 0.948 484 H CB -0.270 28.997 29.762 -0.826 0.000 1.251 484 H HN 0.319 nan 8.280 nan 0.000 0.388 485 Q N 0.553 120.087 119.800 -0.444 0.000 2.084 485 Q HA -0.061 4.294 4.340 0.024 0.000 0.202 485 Q C 2.248 178.050 176.000 -0.330 0.000 0.978 485 Q CA 1.467 57.002 55.803 -0.446 0.000 0.844 485 Q CB -0.119 28.484 28.738 -0.224 0.000 0.898 485 Q HN 0.512 nan 8.270 nan 0.000 0.426 486 G N 0.609 109.414 108.800 0.008 0.000 2.422 486 G HA2 -0.234 3.741 3.960 0.024 0.000 0.218 486 G HA3 -0.234 3.741 3.960 0.024 0.000 0.218 486 G C 1.010 175.838 174.900 -0.120 0.000 1.140 486 G CA 0.617 45.787 45.100 0.117 0.000 0.775 486 G HN 0.241 nan 8.290 nan 0.000 0.545 487 E N 0.031 120.055 120.200 -0.294 0.000 2.106 487 E HA -0.072 4.293 4.350 0.024 0.000 0.192 487 E C 2.061 178.349 176.600 -0.521 0.000 0.984 487 E CA 0.773 56.964 56.400 -0.348 0.000 0.806 487 E CB -0.303 29.204 29.700 -0.321 0.000 0.750 487 E HN 0.523 nan 8.360 nan 0.000 0.458 488 Y N 0.401 120.168 120.300 -0.888 0.000 2.242 488 Y HA -0.026 4.537 4.550 0.023 0.000 0.291 488 Y C 2.279 177.738 175.900 -0.735 0.000 1.137 488 Y CA 0.557 58.033 58.100 -1.040 0.000 1.181 488 Y CB -1.052 36.389 38.460 -1.699 0.000 0.989 488 Y HN 0.056 nan 8.280 nan 0.000 0.527 489 A N 0.129 122.707 122.820 -0.403 0.000 1.933 489 A HA -0.116 4.218 4.320 0.024 0.000 0.218 489 A C 2.668 180.239 177.584 -0.021 0.000 1.175 489 A CA 1.788 53.797 52.037 -0.047 0.000 0.628 489 A CB -1.396 17.710 19.000 0.177 0.000 0.814 489 A HN 0.449 nan 8.150 nan 0.000 0.444 490 G N -0.001 108.763 108.800 -0.060 0.000 2.418 490 G HA2 -0.177 3.797 3.960 0.024 0.000 0.217 490 G HA3 -0.177 3.797 3.960 0.024 0.000 0.217 490 G C 1.510 176.376 174.900 -0.056 0.000 1.158 490 G CA 1.099 46.184 45.100 -0.025 0.000 0.771 490 G HN 0.491 nan 8.290 nan 0.000 0.545 491 I N 1.801 122.298 120.570 -0.121 0.000 2.226 491 I HA -0.204 3.980 4.170 0.024 0.000 0.245 491 I C 3.196 179.262 176.117 -0.085 0.000 1.100 491 I CA 1.444 62.662 61.300 -0.138 0.000 1.374 491 I CB -0.254 37.639 38.000 -0.178 0.000 1.057 491 I HN 0.350 nan 8.210 nan 0.000 0.413 492 S N 0.579 116.248 115.700 -0.053 0.000 2.383 492 S HA -0.308 4.177 4.470 0.024 0.000 0.229 492 S C 1.987 176.682 174.600 0.159 0.000 1.030 492 S CA 1.566 59.795 58.200 0.048 0.000 1.002 492 S CB -0.457 62.789 63.200 0.077 0.000 0.829 492 S HN 0.422 nan 8.310 nan 0.000 0.467 493 Q N 2.065 121.940 119.800 0.125 0.000 2.083 493 Q HA 0.207 4.562 4.340 0.024 0.000 0.198 493 Q C 2.197 178.303 176.000 0.177 0.000 0.969 493 Q CA 1.740 57.649 55.803 0.176 0.000 0.838 493 Q CB -1.091 27.729 28.738 0.136 0.000 0.900 493 Q HN 0.615 nan 8.270 nan 0.000 0.436 494 A N 1.653 124.529 122.820 0.093 0.000 1.884 494 A HA -0.172 4.162 4.320 0.024 0.000 0.219 494 A C -0.334 177.361 177.584 0.185 0.000 1.197 494 A CA 1.951 54.059 52.037 0.119 0.000 0.637 494 A CB -1.941 16.889 19.000 -0.284 0.000 0.827 494 A HN 0.581 nan 8.150 nan 0.000 0.450 495 P HA -0.137 nan 4.420 nan 0.000 0.220 495 P C 0.892 178.098 177.300 -0.156 0.000 1.152 495 P CA 1.333 64.382 63.100 -0.086 0.000 0.812 495 P CB -0.357 31.191 31.700 -0.254 0.000 0.792 496 H N 0.121 119.222 119.070 0.053 0.000 2.428 496 H HA 0.125 4.696 4.556 0.026 0.000 0.296 496 H C 2.090 177.444 175.328 0.043 0.000 1.062 496 H CA 1.410 57.467 56.048 0.014 0.000 1.350 496 H CB -0.626 29.128 29.762 -0.015 0.000 1.403 496 H HN 0.122 nan 8.280 nan 0.000 0.533 497 A N 1.224 124.159 122.820 0.190 0.000 1.898 497 A HA -0.022 4.312 4.320 0.024 0.000 0.216 497 A C 2.667 180.302 177.584 0.084 0.000 1.181 497 A CA 1.461 53.588 52.037 0.150 0.000 0.620 497 A CB -0.641 18.466 19.000 0.179 0.000 0.819 497 A HN 0.404 nan 8.150 nan 0.000 0.442 498 A N -0.261 122.615 122.820 0.094 0.000 1.930 498 A HA -0.105 4.229 4.320 0.024 0.000 0.217 498 A C 2.199 179.789 177.584 0.010 0.000 1.175 498 A CA 1.391 53.432 52.037 0.006 0.000 0.627 498 A CB -0.381 18.665 19.000 0.078 0.000 0.815 498 A HN 0.526 nan 8.150 nan 0.000 0.443 499 R N -1.587 118.923 120.500 0.017 0.000 2.189 499 R HA 0.115 4.469 4.340 0.024 0.000 0.218 499 R C 1.361 177.671 176.300 0.017 0.000 1.074 499 R CA 0.651 56.753 56.100 0.004 0.000 0.991 499 R CB -0.177 30.113 30.300 -0.016 0.000 0.883 499 R HN 0.720 nan 8.270 nan 0.000 0.457 500 G N 1.447 110.270 108.800 0.039 0.000 2.136 500 G HA2 -0.214 3.760 3.960 0.024 0.000 0.242 500 G HA3 -0.214 3.760 3.960 0.024 0.000 0.242 500 G C -0.661 174.252 174.900 0.021 0.000 0.989 500 G CA 0.008 45.134 45.100 0.044 0.000 0.682 500 G HN 0.250 nan 8.290 nan 0.000 0.522 501 D N -0.007 120.405 120.400 0.020 0.000 2.424 501 D HA 0.477 5.132 4.640 0.024 0.000 0.244 501 D C 1.486 177.752 176.300 -0.056 0.000 1.134 501 D CA 0.558 54.523 54.000 -0.058 0.000 0.881 501 D CB 1.174 41.937 40.800 -0.062 0.000 1.191 501 D HN 0.379 nan 8.370 nan 0.000 0.445 502 A N 2.524 125.292 122.820 -0.087 0.000 2.119 502 A HA 0.070 4.405 4.320 0.024 0.000 0.217 502 A C 0.459 178.116 177.584 0.122 0.000 1.153 502 A CA 0.922 52.982 52.037 0.038 0.000 0.692 502 A CB -0.481 18.549 19.000 0.049 0.000 0.799 502 A HN 0.555 nan 8.150 nan 0.000 0.458 503 F N -6.471 113.451 119.950 -0.047 0.000 2.686 503 F HA 0.595 5.137 4.527 0.025 0.000 0.311 503 F C 0.161 175.852 175.800 -0.181 0.000 1.128 503 F CA -0.966 56.985 58.000 -0.081 0.000 0.946 503 F CB 0.804 39.725 39.000 -0.131 0.000 1.336 503 F HN -0.284 nan 8.300 nan 0.000 0.457 504 V N 0.093 119.974 119.914 -0.055 0.000 2.672 504 V HA 0.052 4.187 4.120 0.024 0.000 0.242 504 V C 0.510 176.583 176.094 -0.035 0.000 1.059 504 V CA 1.631 63.688 62.300 -0.406 0.000 1.081 504 V CB 0.290 32.083 31.823 -0.050 0.000 0.752 504 V HN 0.871 nan 8.190 nan 0.000 0.472 505 F N -0.744 119.304 119.950 0.162 0.000 2.743 505 F HA 0.454 4.996 4.527 0.025 0.000 0.356 505 F C 0.078 175.978 175.800 0.166 0.000 0.845 505 F CA -0.145 57.971 58.000 0.193 0.000 1.058 505 F CB 0.710 39.817 39.000 0.178 0.000 0.952 505 F HN 0.119 nan 8.300 nan 0.000 0.620 506 N N 1.917 120.567 118.700 -0.083 0.000 2.549 506 N HA 0.288 5.042 4.740 0.024 0.000 0.290 506 N C -2.507 172.611 175.510 -0.653 0.000 1.122 506 N CA -1.617 51.115 53.050 -0.530 0.000 0.885 506 N CB 2.281 40.314 38.487 -0.755 0.000 1.455 506 N HN -0.123 nan 8.380 nan 0.000 0.521 507 P HA -0.066 nan 4.420 nan 0.000 0.220 507 P C 1.499 178.405 177.300 -0.656 0.000 1.148 507 P CA 0.752 63.225 63.100 -1.046 0.000 0.803 507 P CB 0.752 31.698 31.700 -1.257 0.000 0.782 508 L N -0.961 119.896 121.223 -0.609 0.000 2.072 508 L HA -0.085 4.269 4.340 0.024 0.000 0.205 508 L C 2.692 179.341 176.870 -0.369 0.000 1.079 508 L CA 1.014 55.576 54.840 -0.463 0.000 0.752 508 L CB -1.173 40.542 42.059 -0.573 0.000 0.906 508 L HN -0.176 nan 8.230 nan 0.000 0.436 509 V N 0.436 120.105 119.914 -0.407 0.000 2.332 509 V HA -0.293 3.842 4.120 0.024 0.000 0.248 509 V C 2.623 178.659 176.094 -0.096 0.000 1.055 509 V CA 2.028 64.169 62.300 -0.264 0.000 1.038 509 V CB -0.546 30.971 31.823 -0.511 0.000 0.651 509 V HN 0.393 nan 8.190 nan 0.000 0.450 510 K N 0.811 121.112 120.400 -0.164 0.000 2.057 510 K HA -0.120 4.214 4.320 0.024 0.000 0.207 510 K C 1.767 178.384 176.600 0.028 0.000 1.049 510 K CA 1.822 58.100 56.287 -0.015 0.000 0.931 510 K CB -0.596 31.890 32.500 -0.023 0.000 0.714 510 K HN 0.470 nan 8.250 nan 0.000 0.440 511 I N 0.502 120.925 120.570 -0.245 0.000 2.394 511 I HA -0.162 4.022 4.170 0.024 0.000 0.251 511 I C 2.175 178.142 176.117 -0.250 0.000 1.136 511 I CA 0.994 62.099 61.300 -0.324 0.000 1.425 511 I CB -0.354 36.987 38.000 -1.098 0.000 1.079 511 I HN 0.229 nan 8.210 nan 0.000 0.425 512 A N 0.361 123.041 122.820 -0.232 0.000 2.070 512 A HA -0.144 4.191 4.320 0.024 0.000 0.220 512 A C 1.732 179.093 177.584 -0.372 0.000 1.159 512 A CA 1.500 53.427 52.037 -0.184 0.000 0.656 512 A CB -0.710 18.202 19.000 -0.148 0.000 0.800 512 A HN 0.432 nan 8.150 nan 0.000 0.453 513 F N -0.886 119.002 119.950 -0.104 0.000 2.695 513 F HA 0.388 4.930 4.527 0.025 0.000 0.303 513 F C 1.516 177.307 175.800 -0.015 0.000 1.091 513 F CA 0.051 57.974 58.000 -0.128 0.000 1.300 513 F CB 0.272 39.063 39.000 -0.348 0.000 1.071 513 F HN 0.150 nan 8.300 nan 0.000 0.578 514 A N 0.763 123.642 122.820 0.098 0.000 3.063 514 A HA 0.294 4.629 4.320 0.024 0.000 0.263 514 A C -0.506 177.103 177.584 0.041 0.000 1.736 514 A CA 0.261 52.321 52.037 0.038 0.000 1.408 514 A CB -0.837 18.160 19.000 -0.006 0.000 1.108 514 A HN 0.161 nan 8.150 nan 0.000 0.621 515 D N 0.819 121.271 120.400 0.087 0.000 2.764 515 D HA 0.162 4.816 4.640 0.024 0.000 0.227 515 D C -0.308 176.069 176.300 0.129 0.000 1.347 515 D CA -0.397 53.662 54.000 0.098 0.000 0.953 515 D CB 1.314 42.180 40.800 0.110 0.000 1.476 515 D HN 0.294 nan 8.370 nan 0.000 0.585 516 D N 2.044 122.489 120.400 0.076 0.000 2.328 516 D HA 0.018 4.672 4.640 0.024 0.000 0.226 516 D C 0.281 176.616 176.300 0.059 0.000 1.066 516 D CA 0.047 54.091 54.000 0.072 0.000 0.861 516 D CB -0.267 40.549 40.800 0.027 0.000 0.912 516 D HN 0.248 nan 8.370 nan 0.000 0.521 517 N N -0.395 118.336 118.700 0.052 0.000 2.398 517 N HA 0.157 4.911 4.740 0.024 0.000 0.188 517 N C 0.300 175.942 175.510 0.220 0.000 1.122 517 N CA -0.145 52.912 53.050 0.012 0.000 0.866 517 N CB 0.296 38.593 38.487 -0.317 0.000 0.970 517 N HN 0.155 nan 8.380 nan 0.000 0.462 518 L N 0.218 121.615 121.223 0.290 0.000 2.492 518 L HA -0.053 4.302 4.340 0.024 0.000 0.280 518 L C 1.491 178.543 176.870 0.305 0.000 1.240 518 L CA -0.250 54.808 54.840 0.363 0.000 0.831 518 L CB 0.709 43.058 42.059 0.484 0.000 1.100 518 L HN -0.019 nan 8.230 nan 0.000 0.505 519 V N 1.481 121.596 119.914 0.335 0.000 2.346 519 V HA -0.157 3.978 4.120 0.024 0.000 0.244 519 V C 0.641 176.949 176.094 0.357 0.000 1.037 519 V CA 0.853 63.314 62.300 0.269 0.000 1.029 519 V CB -0.349 31.641 31.823 0.280 0.000 0.663 519 V HN 0.488 nan 8.190 nan 0.000 0.454 520 F N 1.667 121.819 119.950 0.337 0.000 2.429 520 F HA 0.334 4.875 4.527 0.024 0.000 0.348 520 F C 0.343 176.192 175.800 0.081 0.000 1.109 520 F CA -0.958 57.172 58.000 0.216 0.000 1.232 520 F CB 0.672 39.597 39.000 -0.126 0.000 1.157 520 F HN 0.027 nan 8.300 nan 0.000 0.564 521 D N 5.273 125.445 120.400 -0.381 0.000 2.468 521 D HA 0.067 4.722 4.640 0.024 0.000 0.218 521 D C 0.524 176.746 176.300 -0.130 0.000 1.155 521 D CA 0.019 53.922 54.000 -0.161 0.000 0.924 521 D CB -0.373 40.314 40.800 -0.189 0.000 1.029 521 D HN 0.437 nan 8.370 nan 0.000 0.515 522 F N 0.900 121.018 119.950 0.280 0.000 2.641 522 F HA -0.094 4.447 4.527 0.024 0.000 0.298 522 F C 2.604 178.483 175.800 0.132 0.000 1.146 522 F CA 1.030 59.218 58.000 0.313 0.000 1.464 522 F CB -0.162 39.023 39.000 0.308 0.000 1.101 522 F HN 0.374 nan 8.300 nan 0.000 0.585 523 T N -3.304 111.355 114.554 0.175 0.000 3.055 523 T HA -0.058 4.306 4.350 0.024 0.000 0.265 523 T C 0.903 175.609 174.700 0.009 0.000 1.111 523 T CA 0.709 62.858 62.100 0.081 0.000 1.118 523 T CB -0.186 68.704 68.868 0.037 0.000 0.909 523 T HN 0.106 nan 8.240 nan 0.000 0.501 524 N N 0.560 119.222 118.700 -0.064 0.000 2.726 524 N HA 0.276 5.030 4.740 0.024 0.000 0.253 524 N C 0.604 175.964 175.510 -0.250 0.000 1.530 524 N CA -0.260 52.714 53.050 -0.127 0.000 0.772 524 N CB 0.823 39.239 38.487 -0.118 0.000 1.220 524 N HN 0.025 nan 8.380 nan 0.000 0.508 525 V N 1.795 121.573 119.914 -0.227 0.000 2.287 525 V HA -0.201 3.934 4.120 0.024 0.000 0.248 525 V C 2.264 177.901 176.094 -0.761 0.000 1.053 525 V CA 1.787 63.850 62.300 -0.395 0.000 1.027 525 V CB -0.226 31.395 31.823 -0.336 0.000 0.646 525 V HN 0.516 nan 8.190 nan 0.000 0.447 526 R N -0.009 120.182 120.500 -0.514 0.000 2.092 526 R HA -0.072 4.282 4.340 0.024 0.000 0.231 526 R C 2.493 178.663 176.300 -0.217 0.000 1.119 526 R CA 1.315 57.179 56.100 -0.394 0.000 0.970 526 R CB -0.836 29.372 30.300 -0.152 0.000 0.864 526 R HN 0.593 nan 8.270 nan 0.000 0.440 527 G N 1.399 110.088 108.800 -0.184 0.000 2.440 527 G HA2 -0.265 3.709 3.960 0.024 0.000 0.218 527 G HA3 -0.265 3.709 3.960 0.024 0.000 0.218 527 G C 1.196 176.026 174.900 -0.118 0.000 1.154 527 G CA 0.589 45.620 45.100 -0.116 0.000 0.767 527 G HN 0.227 nan 8.290 nan 0.000 0.552 528 E N 0.426 120.474 120.200 -0.254 0.000 2.077 528 E HA -0.083 4.282 4.350 0.024 0.000 0.193 528 E C 2.321 178.930 176.600 0.015 0.000 0.989 528 E CA 0.568 56.812 56.400 -0.260 0.000 0.800 528 E CB -0.406 28.756 29.700 -0.895 0.000 0.746 528 E HN 0.417 nan 8.360 nan 0.000 0.452 529 F N 1.197 121.096 119.950 -0.086 0.000 2.126 529 F HA -0.142 4.399 4.527 0.024 0.000 0.299 529 F C 2.525 178.322 175.800 -0.005 0.000 1.096 529 F CA 0.720 58.687 58.000 -0.055 0.000 1.255 529 F CB -1.520 37.403 39.000 -0.129 0.000 0.997 529 F HN -0.013 nan 8.300 nan 0.000 0.479 530 A N -0.192 122.737 122.820 0.181 0.000 1.877 530 A HA -0.235 4.100 4.320 0.024 0.000 0.216 530 A C 2.352 180.006 177.584 0.117 0.000 1.186 530 A CA 1.841 53.956 52.037 0.130 0.000 0.620 530 A CB -0.813 18.234 19.000 0.077 0.000 0.822 530 A HN 0.337 nan 8.150 nan 0.000 0.443 531 K N -0.689 119.774 120.400 0.105 0.000 2.063 531 K HA -0.145 4.190 4.320 0.024 0.000 0.208 531 K C 1.970 178.673 176.600 0.173 0.000 1.048 531 K CA 1.527 57.895 56.287 0.134 0.000 0.928 531 K CB -0.519 32.075 32.500 0.156 0.000 0.713 531 K HN 0.409 nan 8.250 nan 0.000 0.442 532 G N -0.021 108.873 108.800 0.157 0.000 2.422 532 G HA2 -0.193 3.782 3.960 0.024 0.000 0.218 532 G HA3 -0.193 3.782 3.960 0.024 0.000 0.218 532 G C 1.501 176.475 174.900 0.124 0.000 1.140 532 G CA 0.747 45.928 45.100 0.135 0.000 0.775 532 G HN 0.426 nan 8.290 nan 0.000 0.545 533 A N 0.589 123.484 122.820 0.124 0.000 1.930 533 A HA 0.180 4.514 4.320 0.024 0.000 0.217 533 A C 2.224 179.876 177.584 0.113 0.000 1.175 533 A CA 0.787 52.897 52.037 0.122 0.000 0.627 533 A CB -0.288 18.794 19.000 0.137 0.000 0.815 533 A HN 0.342 nan 8.150 nan 0.000 0.443 534 L N -1.612 119.678 121.223 0.112 0.000 2.610 534 L HA 0.042 4.396 4.340 0.024 0.000 0.232 534 L C 0.588 177.515 176.870 0.096 0.000 1.149 534 L CA 0.254 55.152 54.840 0.097 0.000 0.872 534 L CB -0.219 41.894 42.059 0.090 0.000 0.992 534 L HN 0.424 nan 8.230 nan 0.000 0.447 535 R N -0.388 120.180 120.500 0.113 0.000 3.656 535 R HA -0.200 4.155 4.340 0.024 0.000 0.297 535 R C 0.444 176.811 176.300 0.111 0.000 1.166 535 R CA 0.753 56.920 56.100 0.111 0.000 0.799 535 R CB -2.034 28.319 30.300 0.087 0.000 1.285 535 R HN 0.477 nan 8.270 nan 0.000 0.477 536 E N -0.374 119.905 120.200 0.132 0.000 2.526 536 E HA 0.102 4.467 4.350 0.024 0.000 0.208 536 E C -0.146 176.532 176.600 0.131 0.000 0.997 536 E CA -0.216 56.249 56.400 0.108 0.000 0.961 536 E CB 0.351 30.102 29.700 0.085 0.000 1.030 536 E HN 0.193 nan 8.360 nan 0.000 0.483 537 F N 2.261 122.233 119.950 0.037 0.000 2.385 537 F HA 0.185 4.727 4.527 0.024 0.000 0.336 537 F C 0.151 175.978 175.800 0.045 0.000 1.100 537 F CA -0.532 57.489 58.000 0.036 0.000 1.116 537 F CB 0.875 39.911 39.000 0.060 0.000 1.166 537 F HN -0.279 nan 8.300 nan 0.000 0.511 538 E N 7.720 127.641 120.200 -0.466 0.000 2.063 538 E HA 0.253 4.618 4.350 0.024 0.000 0.265 538 E C -2.402 174.057 176.600 -0.236 0.000 0.919 538 E CA -1.755 54.509 56.400 -0.227 0.000 0.756 538 E CB 1.070 30.639 29.700 -0.220 0.000 1.120 538 E HN 0.403 nan 8.360 nan 0.000 0.414 539 P HA 0.291 nan 4.420 nan 0.000 0.278 539 P C -0.622 176.752 177.300 0.123 0.000 1.266 539 P CA -0.461 62.797 63.100 0.262 0.000 0.807 539 P CB 1.163 33.062 31.700 0.332 0.000 1.094 540 A N -0.365 122.537 122.820 0.136 0.000 2.242 540 A HA 0.639 4.974 4.320 0.024 0.000 0.304 540 A C 1.135 178.762 177.584 0.070 0.000 1.100 540 A CA 0.080 52.165 52.037 0.081 0.000 0.860 540 A CB -0.378 18.671 19.000 0.081 0.000 1.168 540 A HN 0.826 nan 8.150 nan 0.000 0.503 541 G N -1.168 107.653 108.800 0.036 0.000 2.213 541 G HA2 -0.163 3.811 3.960 0.024 0.000 0.236 541 G HA3 -0.163 3.811 3.960 0.024 0.000 0.236 541 G C 0.140 175.052 174.900 0.019 0.000 0.991 541 G CA 0.343 45.456 45.100 0.022 0.000 0.629 541 G HN 0.730 nan 8.290 nan 0.000 0.517 542 E N -0.203 120.011 120.200 0.022 0.000 2.392 542 E HA 0.488 4.853 4.350 0.024 0.000 0.256 542 E C 1.077 177.675 176.600 -0.003 0.000 1.145 542 E CA -0.252 56.158 56.400 0.016 0.000 0.929 542 E CB 0.475 30.186 29.700 0.019 0.000 0.998 542 E HN 0.254 nan 8.360 nan 0.000 0.442 543 R N 0.427 120.925 120.500 -0.003 0.000 2.427 543 R HA 0.185 4.539 4.340 0.024 0.000 0.262 543 R C 1.499 177.787 176.300 -0.021 0.000 0.943 543 R CA 0.485 56.577 56.100 -0.013 0.000 1.081 543 R CB -0.083 30.216 30.300 -0.002 0.000 1.166 543 R HN 0.533 nan 8.270 nan 0.000 0.534 544 A N 0.718 123.527 122.820 -0.018 0.000 1.958 544 A HA -0.188 4.146 4.320 0.024 0.000 0.221 544 A C 1.791 179.356 177.584 -0.031 0.000 1.178 544 A CA 1.351 53.377 52.037 -0.018 0.000 0.642 544 A CB -0.476 18.517 19.000 -0.012 0.000 0.816 544 A HN 0.316 nan 8.150 nan 0.000 0.453 545 L N -0.744 120.443 121.223 -0.061 0.000 2.191 545 L HA -0.082 4.273 4.340 0.024 0.000 0.212 545 L C 1.799 178.630 176.870 -0.066 0.000 1.103 545 L CA 1.319 56.105 54.840 -0.090 0.000 0.769 545 L CB -0.307 41.632 42.059 -0.200 0.000 0.908 545 L HN 0.700 nan 8.230 nan 0.000 0.438 546 I N -3.629 116.913 120.570 -0.047 0.000 3.856 546 I HA 0.243 4.428 4.170 0.024 0.000 0.330 546 I C 0.293 176.410 176.117 0.000 0.000 1.546 546 I CA -0.392 60.900 61.300 -0.015 0.000 1.132 546 I CB 0.111 38.107 38.000 -0.006 0.000 1.157 546 I HN -0.035 nan 8.210 nan 0.000 0.440 547 T N -1.932 112.621 114.554 -0.003 0.000 2.901 547 T HA 0.694 5.058 4.350 0.024 0.000 0.293 547 T C -2.701 172.001 174.700 0.003 0.000 1.084 547 T CA -1.558 60.543 62.100 0.003 0.000 1.008 547 T CB 1.567 70.435 68.868 0.001 0.000 1.170 547 T HN -0.121 nan 8.240 nan 0.000 0.509 548 P HA 0.481 nan 4.420 nan 0.000 0.271 548 P C -0.082 177.221 177.300 0.005 0.000 1.233 548 P CA -0.484 62.620 63.100 0.006 0.000 0.789 548 P CB -0.026 31.678 31.700 0.007 0.000 0.951 549 A N 0.000 122.823 122.820 0.005 0.000 2.254 549 A HA 0.000 4.335 4.320 0.024 0.000 0.244 549 A CA 0.000 52.040 52.037 0.005 0.000 0.836 549 A CB 0.000 19.003 19.000 0.006 0.000 0.831 549 A HN 0.000 nan 8.150 nan 0.000 0.486