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 3m32_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 0.000 177.572 177.584 -0.020 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.984 19.000 -0.026 0.000 0.831 3 D N 1.959 122.333 120.400 -0.043 0.000 2.472 3 D HA 0.232 4.886 4.640 0.023 0.000 0.237 3 D C 0.250 176.447 176.300 -0.172 0.000 1.141 3 D CA 0.462 54.410 54.000 -0.087 0.000 0.875 3 D CB 0.560 41.305 40.800 -0.093 0.000 1.192 3 D HN 0.325 nan 8.370 nan 0.000 0.450 4 K N 1.711 121.931 120.400 -0.301 0.000 2.397 4 K HA 0.045 4.379 4.320 0.023 0.000 0.265 4 K C 1.374 177.602 176.600 -0.619 0.000 0.982 4 K CA -0.081 55.865 56.287 -0.567 0.000 0.931 4 K CB 0.235 32.006 32.500 -1.216 0.000 0.943 4 K HN 0.386 nan 8.250 nan 0.000 0.501 5 L N 1.237 122.182 121.223 -0.463 0.000 2.376 5 L HA -0.097 4.257 4.340 0.023 0.000 0.219 5 L C 1.655 178.433 176.870 -0.154 0.000 1.133 5 L CA 0.850 55.567 54.840 -0.204 0.000 0.816 5 L CB -0.425 41.624 42.059 -0.015 0.000 0.933 5 L HN 0.557 nan 8.230 nan 0.000 0.449 6 F N -2.480 117.447 119.950 -0.038 0.000 2.797 6 F HA 0.142 4.682 4.527 0.022 0.000 0.302 6 F C 1.977 177.742 175.800 -0.059 0.000 1.130 6 F CA -0.229 57.739 58.000 -0.054 0.000 1.387 6 F CB -0.779 38.165 39.000 -0.094 0.000 1.107 6 F HN -0.149 nan 8.300 nan 0.000 0.577 7 I N 1.638 122.109 120.570 -0.165 0.000 2.226 7 I HA -0.250 3.934 4.170 0.023 0.000 0.245 7 I C 1.887 178.037 176.117 0.055 0.000 1.100 7 I CA 1.052 62.330 61.300 -0.038 0.000 1.374 7 I CB -1.240 36.666 38.000 -0.156 0.000 1.057 7 I HN 0.237 nan 8.210 nan 0.000 0.413 8 N N 1.406 120.134 118.700 0.048 0.000 2.104 8 N HA -0.156 4.598 4.740 0.023 0.000 0.190 8 N C 1.914 177.517 175.510 0.155 0.000 1.024 8 N CA 1.776 54.880 53.050 0.089 0.000 0.853 8 N CB -0.307 38.246 38.487 0.109 0.000 1.008 8 N HN 0.385 nan 8.380 nan 0.000 0.424 9 A N 1.200 124.150 122.820 0.217 0.000 1.898 9 A HA -0.019 4.315 4.320 0.023 0.000 0.216 9 A C 2.397 180.075 177.584 0.157 0.000 1.181 9 A CA 0.802 53.012 52.037 0.289 0.000 0.620 9 A CB -0.659 18.473 19.000 0.219 0.000 0.819 9 A HN 0.211 nan 8.150 nan 0.000 0.442 10 L N -0.688 120.629 121.223 0.158 0.000 2.083 10 L HA -0.204 4.150 4.340 0.023 0.000 0.209 10 L C 2.514 179.454 176.870 0.117 0.000 1.083 10 L CA 1.664 56.601 54.840 0.160 0.000 0.752 10 L CB -0.522 41.691 42.059 0.258 0.000 0.899 10 L HN 0.363 nan 8.230 nan 0.000 0.433 11 K N -0.130 120.327 120.400 0.095 0.000 2.097 11 K HA -0.134 4.199 4.320 0.023 0.000 0.206 11 K C 2.140 178.725 176.600 -0.026 0.000 1.049 11 K CA 0.874 57.193 56.287 0.053 0.000 0.933 11 K CB -0.001 32.521 32.500 0.037 0.000 0.717 11 K HN 0.144 nan 8.250 nan 0.000 0.442 12 K N 1.181 121.529 120.400 -0.086 0.000 2.155 12 K HA -0.073 4.261 4.320 0.023 0.000 0.203 12 K C 1.809 178.270 176.600 -0.232 0.000 1.052 12 K CA 1.139 57.297 56.287 -0.215 0.000 0.948 12 K CB 0.080 32.317 32.500 -0.439 0.000 0.728 12 K HN 0.143 nan 8.250 nan 0.000 0.448 13 K N -0.591 119.625 120.400 -0.306 0.000 2.062 13 K HA -0.005 4.329 4.320 0.023 0.000 0.205 13 K C 0.313 176.520 176.600 -0.656 0.000 1.051 13 K CA 0.893 56.804 56.287 -0.626 0.000 0.941 13 K CB 0.086 31.854 32.500 -1.220 0.000 0.719 13 K HN -0.079 nan 8.250 nan 0.000 0.440 14 F N 0.023 119.963 119.950 -0.017 0.000 2.577 14 F HA 0.251 4.792 4.527 0.023 0.000 0.318 14 F C 1.106 176.890 175.800 -0.028 0.000 1.065 14 F CA -1.144 56.843 58.000 -0.022 0.000 0.929 14 F CB 1.539 40.535 39.000 -0.008 0.000 1.237 14 F HN -0.192 nan 8.300 nan 0.000 0.468 15 E N 0.102 120.405 120.200 0.171 0.000 2.107 15 E HA -0.092 4.272 4.350 0.023 0.000 0.191 15 E C -0.134 176.505 176.600 0.066 0.000 0.982 15 E CA 0.830 57.273 56.400 0.073 0.000 0.809 15 E CB 0.069 29.787 29.700 0.031 0.000 0.756 15 E HN 0.579 nan 8.360 nan 0.000 0.459 16 E N 1.015 121.257 120.200 0.070 0.000 2.422 16 E HA 0.055 4.419 4.350 0.023 0.000 0.260 16 E C -0.275 176.375 176.600 0.084 0.000 1.108 16 E CA -0.018 56.407 56.400 0.042 0.000 0.943 16 E CB 0.721 30.412 29.700 -0.015 0.000 0.961 16 E HN -0.144 nan 8.360 nan 0.000 0.443 17 S N 1.583 117.322 115.700 0.065 0.000 2.584 17 S HA 0.073 4.557 4.470 0.023 0.000 0.270 17 S C -1.572 173.110 174.600 0.137 0.000 1.346 17 S CA -1.323 56.935 58.200 0.097 0.000 1.018 17 S CB 0.368 63.614 63.200 0.077 0.000 0.899 17 S HN 0.356 nan 8.310 nan 0.000 0.542 18 P HA 0.024 nan 4.420 nan 0.000 0.226 18 P C 0.246 177.729 177.300 0.304 0.000 1.153 18 P CA 0.765 64.038 63.100 0.288 0.000 0.777 18 P CB 0.047 31.956 31.700 0.349 0.000 0.794 19 E N -0.219 120.115 120.200 0.223 0.000 2.481 19 E HA -0.006 4.358 4.350 0.023 0.000 0.195 19 E C 0.439 177.044 176.600 0.009 0.000 1.047 19 E CA 0.225 56.668 56.400 0.071 0.000 0.867 19 E CB -0.427 29.279 29.700 0.010 0.000 0.858 19 E HN 0.470 nan 8.360 nan 0.000 0.513 20 E N 0.820 121.029 120.200 0.015 0.000 2.392 20 E HA 0.048 4.412 4.350 0.023 0.000 0.264 20 E C 0.452 177.020 176.600 -0.054 0.000 1.024 20 E CA 0.151 56.535 56.400 -0.027 0.000 0.903 20 E CB 0.760 30.438 29.700 -0.037 0.000 0.963 20 E HN 0.080 nan 8.360 nan 0.000 0.432 21 K N 1.634 121.997 120.400 -0.062 0.000 2.352 21 K HA 0.108 4.442 4.320 0.023 0.000 0.194 21 K C 0.212 176.762 176.600 -0.083 0.000 1.038 21 K CA 0.532 56.779 56.287 -0.065 0.000 1.023 21 K CB 0.481 32.949 32.500 -0.053 0.000 0.840 21 K HN 0.218 nan 8.250 nan 0.000 0.519 22 K N 0.202 120.538 120.400 -0.106 0.000 2.395 22 K HA 0.365 4.698 4.320 0.023 0.000 0.247 22 K C -0.638 175.832 176.600 -0.217 0.000 0.973 22 K CA -0.501 55.702 56.287 -0.140 0.000 0.828 22 K CB 2.431 34.868 32.500 -0.106 0.000 1.272 22 K HN -0.182 nan 8.250 nan 0.000 0.439 23 T N -0.504 113.846 114.554 -0.341 0.000 2.647 23 T HA 0.483 4.847 4.350 0.023 0.000 0.295 23 T C -1.441 172.900 174.700 -0.598 0.000 1.126 23 T CA -0.368 61.445 62.100 -0.479 0.000 1.040 23 T CB 1.856 70.351 68.868 -0.621 0.000 1.472 23 T HN 0.494 nan 8.240 nan 0.000 0.500 24 T N 1.491 115.664 114.554 -0.635 0.000 2.886 24 T HA 0.740 5.104 4.350 0.023 0.000 0.292 24 T C -1.469 172.846 174.700 -0.642 0.000 1.012 24 T CA -0.294 61.486 62.100 -0.534 0.000 0.982 24 T CB 0.762 69.499 68.868 -0.218 0.000 1.018 24 T HN 0.360 nan 8.240 nan 0.000 0.451 25 F N 0.726 120.473 119.950 -0.338 0.000 2.613 25 F HA 0.564 5.104 4.527 0.023 0.000 0.342 25 F C 0.188 175.658 175.800 -0.549 0.000 1.066 25 F CA -1.194 56.413 58.000 -0.653 0.000 1.002 25 F CB 0.530 38.749 39.000 -1.302 0.000 1.319 25 F HN 0.700 nan 8.300 nan 0.000 0.495 26 Y N -1.938 118.486 120.300 0.207 0.000 4.929 26 Y HA -0.249 4.315 4.550 0.023 0.000 0.252 26 Y C 1.157 177.084 175.900 0.044 0.000 0.950 26 Y CA 0.554 58.711 58.100 0.094 0.000 1.935 26 Y CB -2.773 35.735 38.460 0.079 0.000 1.440 26 Y HN 0.594 nan 8.280 nan 0.000 0.567 27 T N -3.486 111.135 114.554 0.112 0.000 3.129 27 T HA 0.481 4.845 4.350 0.023 0.000 0.267 27 T C 0.834 175.544 174.700 0.015 0.000 1.018 27 T CA 0.087 62.221 62.100 0.057 0.000 0.903 27 T CB -0.193 68.692 68.868 0.028 0.000 1.067 27 T HN 0.394 nan 8.240 nan 0.000 0.549 28 L N 0.751 121.983 121.223 0.014 0.000 2.640 28 L HA 0.444 4.798 4.340 0.023 0.000 0.230 28 L C 1.801 178.638 176.870 -0.056 0.000 1.123 28 L CA 0.238 55.069 54.840 -0.016 0.000 0.900 28 L CB -0.123 41.936 42.059 0.001 0.000 1.146 28 L HN 0.575 nan 8.230 nan 0.000 0.484 29 G N 0.165 108.927 108.800 -0.063 0.000 2.147 29 G HA2 -0.167 3.807 3.960 0.023 0.000 0.244 29 G HA3 -0.167 3.807 3.960 0.023 0.000 0.244 29 G C 0.834 175.606 174.900 -0.213 0.000 1.005 29 G CA 0.234 45.246 45.100 -0.147 0.000 0.713 29 G HN 0.699 nan 8.290 nan 0.000 0.515 30 G N 0.248 109.000 108.800 -0.081 0.000 2.583 30 G HA2 -0.304 3.670 3.960 0.023 0.000 0.292 30 G HA3 -0.304 3.670 3.960 0.023 0.000 0.292 30 G C 1.373 176.278 174.900 0.008 0.000 1.203 30 G CA 1.710 46.795 45.100 -0.024 0.000 0.987 30 G HN 1.748 nan 8.290 nan 0.000 0.554 31 W N 0.883 122.208 121.300 0.043 0.000 2.421 31 W HA 0.089 4.763 4.660 0.023 0.000 0.270 31 W C 1.758 178.293 176.519 0.027 0.000 1.233 31 W CA 1.201 58.574 57.345 0.046 0.000 1.226 31 W CB -0.583 28.925 29.460 0.080 0.000 1.121 31 W HN 0.490 nan 8.180 nan 0.000 0.579 32 K N 1.444 121.514 120.400 -0.550 0.000 2.439 32 K HA -0.170 4.164 4.320 0.023 0.000 0.197 32 K C 2.251 178.742 176.600 -0.182 0.000 1.041 32 K CA 1.499 57.446 56.287 -0.566 0.000 0.970 32 K CB -0.221 31.824 32.500 -0.758 0.000 0.773 32 K HN 0.415 nan 8.250 nan 0.000 0.479 33 Q N 0.315 120.059 119.800 -0.093 0.000 2.369 33 Q HA -0.025 4.329 4.340 0.023 0.000 0.206 33 Q C 0.543 176.541 176.000 -0.004 0.000 0.963 33 Q CA 0.699 56.478 55.803 -0.040 0.000 0.894 33 Q CB 0.190 28.915 28.738 -0.021 0.000 0.965 33 Q HN -0.052 nan 8.270 nan 0.000 0.475 34 S N -0.011 115.714 115.700 0.042 0.000 2.437 34 S HA 0.103 4.586 4.470 0.023 0.000 0.305 34 S C 0.501 175.115 174.600 0.024 0.000 1.109 34 S CA -0.676 57.543 58.200 0.032 0.000 1.099 34 S CB 1.714 64.944 63.200 0.049 0.000 1.004 34 S HN 0.461 nan 8.310 nan 0.000 0.475 35 E N 3.751 123.942 120.200 -0.015 0.000 2.077 35 E HA -0.211 4.152 4.350 0.023 0.000 0.193 35 E C 1.873 178.413 176.600 -0.099 0.000 0.989 35 E CA 1.091 57.474 56.400 -0.028 0.000 0.800 35 E CB -0.078 29.604 29.700 -0.030 0.000 0.746 35 E HN 0.641 nan 8.360 nan 0.000 0.452 36 R N 0.761 121.146 120.500 -0.191 0.000 2.073 36 R HA -0.059 4.295 4.340 0.023 0.000 0.229 36 R C 2.145 178.014 176.300 -0.718 0.000 1.120 36 R CA 1.484 57.309 56.100 -0.459 0.000 0.967 36 R CB -0.052 29.976 30.300 -0.454 0.000 0.862 36 R HN 0.015 nan 8.270 nan 0.000 0.436 37 K N -0.377 119.798 120.400 -0.376 0.000 2.063 37 K HA -0.070 4.264 4.320 0.023 0.000 0.208 37 K C 2.022 178.577 176.600 -0.076 0.000 1.048 37 K CA 1.978 58.145 56.287 -0.199 0.000 0.928 37 K CB -0.722 31.868 32.500 0.149 0.000 0.713 37 K HN 0.246 nan 8.250 nan 0.000 0.442 38 T N 1.469 116.078 114.554 0.092 0.000 2.746 38 T HA -0.158 4.206 4.350 0.023 0.000 0.267 38 T C 1.825 176.536 174.700 0.019 0.000 1.039 38 T CA 1.427 63.640 62.100 0.188 0.000 1.142 38 T CB -0.074 68.942 68.868 0.246 0.000 0.866 38 T HN 0.417 nan 8.240 nan 0.000 0.444 39 E N -0.109 120.057 120.200 -0.056 0.000 2.118 39 E HA -0.152 4.212 4.350 0.023 0.000 0.195 39 E C 1.727 178.354 176.600 0.044 0.000 0.992 39 E CA 1.035 57.422 56.400 -0.021 0.000 0.804 39 E CB -0.093 29.580 29.700 -0.045 0.000 0.741 39 E HN 0.394 nan 8.360 nan 0.000 0.458 40 F N 0.404 120.185 119.950 -0.282 0.000 2.146 40 F HA -0.118 4.423 4.527 0.023 0.000 0.298 40 F C 2.433 177.873 175.800 -0.599 0.000 1.096 40 F CA 0.487 58.145 58.000 -0.571 0.000 1.275 40 F CB -1.117 37.348 39.000 -0.892 0.000 1.008 40 F HN -0.053 nan 8.300 nan 0.000 0.480 41 V N 0.619 120.388 119.914 -0.243 0.000 2.287 41 V HA -0.332 3.802 4.120 0.023 0.000 0.248 41 V C 1.957 177.986 176.094 -0.108 0.000 1.053 41 V CA 2.213 64.383 62.300 -0.216 0.000 1.027 41 V CB -0.951 30.496 31.823 -0.626 0.000 0.646 41 V HN 0.350 nan 8.190 nan 0.000 0.447 42 N N 0.249 118.906 118.700 -0.072 0.000 2.084 42 N HA -0.155 4.599 4.740 0.023 0.000 0.190 42 N C 1.927 177.421 175.510 -0.027 0.000 1.030 42 N CA 1.255 54.294 53.050 -0.019 0.000 0.849 42 N CB -0.351 38.144 38.487 0.013 0.000 1.012 42 N HN 0.487 nan 8.380 nan 0.000 0.423 43 A N 0.865 123.657 122.820 -0.048 0.000 1.933 43 A HA -0.046 4.288 4.320 0.023 0.000 0.218 43 A C 2.359 179.902 177.584 -0.068 0.000 1.175 43 A CA 1.792 53.792 52.037 -0.062 0.000 0.628 43 A CB -1.265 17.683 19.000 -0.087 0.000 0.814 43 A HN 0.405 nan 8.150 nan 0.000 0.444 44 G N -0.212 108.545 108.800 -0.073 0.000 2.440 44 G HA2 -0.261 3.713 3.960 0.023 0.000 0.218 44 G HA3 -0.261 3.713 3.960 0.023 0.000 0.218 44 G C 1.682 176.588 174.900 0.009 0.000 1.154 44 G CA 1.171 46.275 45.100 0.005 0.000 0.767 44 G HN 0.589 nan 8.290 nan 0.000 0.552 45 K N 0.094 120.496 120.400 0.003 0.000 2.097 45 K HA -0.046 4.288 4.320 0.023 0.000 0.205 45 K C 2.363 178.962 176.600 -0.001 0.000 1.050 45 K CA 1.197 57.487 56.287 0.004 0.000 0.938 45 K CB -0.126 32.379 32.500 0.008 0.000 0.718 45 K HN 0.474 nan 8.250 nan 0.000 0.442 46 E N 0.881 121.077 120.200 -0.007 0.000 2.047 46 E HA -0.166 4.198 4.350 0.023 0.000 0.191 46 E C 1.979 178.572 176.600 -0.012 0.000 0.987 46 E CA 1.061 57.456 56.400 -0.008 0.000 0.799 46 E CB 0.139 29.832 29.700 -0.010 0.000 0.752 46 E HN -0.003 nan 8.360 nan 0.000 0.449 47 V N 1.482 121.383 119.914 -0.021 0.000 2.282 47 V HA -0.319 3.815 4.120 0.023 0.000 0.249 47 V C 2.508 178.593 176.094 -0.016 0.000 1.057 47 V CA 2.006 64.292 62.300 -0.024 0.000 1.032 47 V CB -0.860 30.940 31.823 -0.037 0.000 0.645 47 V HN 0.477 nan 8.190 nan 0.000 0.447 48 A N -0.263 122.552 122.820 -0.010 0.000 1.902 48 A HA -0.117 4.216 4.320 0.023 0.000 0.217 48 A C 2.416 179.996 177.584 -0.006 0.000 1.181 48 A CA 2.124 54.157 52.037 -0.007 0.000 0.623 48 A CB -0.760 18.239 19.000 -0.003 0.000 0.818 48 A HN 0.591 nan 8.150 nan 0.000 0.443 49 A N -0.251 122.566 122.820 -0.004 0.000 1.902 49 A HA -0.159 4.174 4.320 0.023 0.000 0.217 49 A C 2.133 179.715 177.584 -0.003 0.000 1.181 49 A CA 1.986 54.022 52.037 -0.002 0.000 0.623 49 A CB -0.459 18.542 19.000 0.001 0.000 0.818 49 A HN 0.560 nan 8.150 nan 0.000 0.443 50 K N 0.112 120.509 120.400 -0.006 0.000 2.026 50 K HA -0.188 4.145 4.320 0.023 0.000 0.208 50 K C 2.145 178.741 176.600 -0.007 0.000 1.048 50 K CA 1.741 58.024 56.287 -0.006 0.000 0.929 50 K CB -0.166 32.328 32.500 -0.009 0.000 0.713 50 K HN 0.615 nan 8.250 nan 0.000 0.439 51 R N -1.043 119.452 120.500 -0.009 0.000 2.312 51 R HA 0.123 4.477 4.340 0.023 0.000 0.205 51 R C 0.786 177.082 176.300 -0.007 0.000 0.904 51 R CA 0.754 56.849 56.100 -0.009 0.000 1.052 51 R CB 0.233 30.526 30.300 -0.012 0.000 1.014 51 R HN 0.266 nan 8.270 nan 0.000 0.503 52 G N 1.668 110.465 108.800 -0.006 0.000 2.176 52 G HA2 -0.234 3.740 3.960 0.023 0.000 0.252 52 G HA3 -0.234 3.740 3.960 0.023 0.000 0.252 52 G C -0.138 174.758 174.900 -0.007 0.000 1.024 52 G CA 0.553 45.650 45.100 -0.005 0.000 0.755 52 G HN 0.384 nan 8.290 nan 0.000 0.507 53 I N -0.141 120.424 120.570 -0.009 0.000 2.534 53 I HA 0.305 4.489 4.170 0.023 0.000 0.288 53 I C -2.336 173.774 176.117 -0.012 0.000 1.077 53 I CA -2.572 58.722 61.300 -0.011 0.000 1.051 53 I CB 2.468 40.460 38.000 -0.013 0.000 1.234 53 I HN -0.186 nan 8.210 nan 0.000 0.425 54 P HA 0.009 nan 4.420 nan 0.000 0.267 54 P C -0.617 176.673 177.300 -0.017 0.000 1.195 54 P CA 0.267 63.358 63.100 -0.015 0.000 0.773 54 P CB 0.892 32.580 31.700 -0.019 0.000 0.837 55 Q N 1.686 121.479 119.800 -0.012 0.000 2.920 55 Q HA 0.170 4.524 4.340 0.023 0.000 0.313 55 Q C -0.795 175.212 176.000 0.010 0.000 0.976 55 Q CA -0.488 55.313 55.803 -0.004 0.000 0.678 55 Q CB 0.192 28.930 28.738 0.001 0.000 3.697 55 Q HN 0.289 nan 8.270 nan 0.000 0.280 56 Y N 2.936 123.177 120.300 -0.098 0.000 2.620 56 Y HA 0.191 4.755 4.550 0.023 0.000 0.330 56 Y C -0.691 175.143 175.900 -0.110 0.000 1.186 56 Y CA 0.745 58.779 58.100 -0.110 0.000 1.467 56 Y CB 0.366 38.745 38.460 -0.136 0.000 1.262 56 Y HN 0.396 nan 8.280 nan 0.000 0.550 57 N N 7.819 126.276 118.700 -0.406 0.000 2.478 57 N HA 0.269 5.023 4.740 0.023 0.000 0.291 57 N C -2.584 172.682 175.510 -0.408 0.000 1.090 57 N CA -1.967 50.938 53.050 -0.243 0.000 0.911 57 N CB 2.177 40.577 38.487 -0.146 0.000 1.546 57 N HN 0.341 nan 8.380 nan 0.000 0.500 58 P HA 0.124 nan 4.420 nan 0.000 0.237 58 P C -0.315 176.919 177.300 -0.110 0.000 1.178 58 P CA 0.634 63.543 63.100 -0.318 0.000 0.766 58 P CB 0.572 31.912 31.700 -0.600 0.000 0.876 59 D N -0.655 119.700 120.400 -0.075 0.000 2.349 59 D HA 0.114 4.768 4.640 0.023 0.000 0.214 59 D C 0.687 176.967 176.300 -0.033 0.000 1.063 59 D CA 0.036 54.033 54.000 -0.005 0.000 0.847 59 D CB 0.369 41.185 40.800 0.027 0.000 0.933 59 D HN 0.158 nan 8.370 nan 0.000 0.513 60 I N 0.709 121.228 120.570 -0.085 0.000 2.428 60 I HA 0.318 4.502 4.170 0.023 0.000 0.289 60 I C 1.632 177.709 176.117 -0.067 0.000 1.019 60 I CA 0.315 61.567 61.300 -0.079 0.000 1.351 60 I CB 0.659 38.587 38.000 -0.121 0.000 1.412 60 I HN 0.151 nan 8.210 nan 0.000 0.513 61 G N 5.678 114.453 108.800 -0.042 0.000 2.528 61 G HA2 -0.222 3.751 3.960 0.023 0.000 0.262 61 G HA3 -0.222 3.751 3.960 0.023 0.000 0.262 61 G C 0.048 174.940 174.900 -0.013 0.000 1.200 61 G CA 0.099 45.182 45.100 -0.029 0.000 0.951 61 G HN 0.876 nan 8.290 nan 0.000 0.566 62 T N 0.405 114.956 114.554 -0.005 0.000 2.928 62 T HA 0.695 5.059 4.350 0.023 0.000 0.284 62 T C -2.283 172.435 174.700 0.029 0.000 1.008 62 T CA -0.551 61.555 62.100 0.010 0.000 1.057 62 T CB 2.203 71.075 68.868 0.007 0.000 1.018 62 T HN 0.788 nan 8.240 nan 0.000 0.493 63 P HA 0.342 nan 4.420 nan 0.000 0.283 63 P C -0.134 177.229 177.300 0.104 0.000 1.412 63 P CA -0.546 62.611 63.100 0.095 0.000 0.912 63 P CB 0.352 32.110 31.700 0.097 0.000 1.132 64 L N 2.085 123.383 121.223 0.124 0.000 2.516 64 L HA 0.162 4.516 4.340 0.023 0.000 0.288 64 L C 1.605 178.550 176.870 0.125 0.000 1.246 64 L CA 1.088 55.998 54.840 0.116 0.000 0.844 64 L CB -0.411 41.737 42.059 0.149 0.000 1.106 64 L HN 0.771 nan 8.230 nan 0.000 0.509 65 G N 1.102 109.950 108.800 0.080 0.000 2.149 65 G HA2 -0.204 3.770 3.960 0.023 0.000 0.235 65 G HA3 -0.204 3.770 3.960 0.023 0.000 0.235 65 G C 0.668 175.603 174.900 0.059 0.000 1.018 65 G CA -0.149 44.993 45.100 0.071 0.000 0.728 65 G HN 0.617 nan 8.290 nan 0.000 0.508 66 Q N -0.719 119.112 119.800 0.052 0.000 2.435 66 Q HA 0.039 4.393 4.340 0.023 0.000 0.207 66 Q C 1.777 177.771 176.000 -0.010 0.000 0.956 66 Q CA 1.596 57.450 55.803 0.084 0.000 0.917 66 Q CB 0.110 28.937 28.738 0.148 0.000 0.997 66 Q HN 0.974 nan 8.270 nan 0.000 0.497 67 R N -1.919 118.566 120.500 -0.024 0.000 2.943 67 R HA 0.608 4.962 4.340 0.023 0.000 0.246 67 R C -0.365 175.989 176.300 0.091 0.000 1.201 67 R CA -0.886 55.251 56.100 0.062 0.000 1.056 67 R CB 0.620 30.891 30.300 -0.048 0.000 1.243 67 R HN -0.273 nan 8.270 nan 0.000 0.498 68 V N 2.056 122.063 119.914 0.154 0.000 2.585 68 V HA 0.053 4.187 4.120 0.023 0.000 0.296 68 V C 0.275 176.415 176.094 0.077 0.000 1.035 68 V CA 0.055 62.430 62.300 0.124 0.000 1.084 68 V CB 0.459 32.415 31.823 0.222 0.000 0.953 68 V HN 0.434 nan 8.190 nan 0.000 0.483 69 L N 6.906 128.149 121.223 0.034 0.000 2.283 69 L HA 0.380 4.734 4.340 0.023 0.000 0.287 69 L C 0.256 177.100 176.870 -0.043 0.000 1.073 69 L CA 0.112 54.961 54.840 0.015 0.000 0.822 69 L CB 0.523 42.605 42.059 0.039 0.000 1.186 69 L HN 0.571 nan 8.230 nan 0.000 0.436 70 M N 5.642 125.174 119.600 -0.114 0.000 2.250 70 M HA 0.345 4.839 4.480 0.023 0.000 0.344 70 M C -2.071 174.022 176.300 -0.344 0.000 1.150 70 M CA -1.589 53.535 55.300 -0.293 0.000 1.147 70 M CB 0.983 33.290 32.600 -0.488 0.000 1.498 70 M HN 0.277 nan 8.290 nan 0.000 0.461 71 P HA 0.213 nan 4.420 nan 0.000 0.276 71 P C -1.800 175.305 177.300 -0.325 0.000 1.244 71 P CA -0.110 62.896 63.100 -0.156 0.000 0.801 71 P CB 0.504 32.207 31.700 0.006 0.000 1.006 72 Y N -0.906 119.444 120.300 0.082 0.000 2.409 72 Y HA 0.333 4.896 4.550 0.023 0.000 0.343 72 Y C 0.920 176.767 175.900 -0.088 0.000 0.973 72 Y CA -0.626 57.485 58.100 0.018 0.000 1.064 72 Y CB 2.009 40.468 38.460 -0.001 0.000 1.207 72 Y HN 0.332 nan 8.280 nan 0.000 0.452 73 Q N 2.438 122.159 119.800 -0.132 0.000 2.288 73 Q HA 0.430 4.784 4.340 0.023 0.000 0.258 73 Q C -1.178 174.730 176.000 -0.153 0.000 0.957 73 Q CA -0.485 54.992 55.803 -0.543 0.000 0.919 73 Q CB 0.907 29.257 28.738 -0.646 0.000 1.185 73 Q HN 0.598 nan 8.270 nan 0.000 0.408 74 V N 4.034 123.890 119.914 -0.096 0.000 2.488 74 V HA 0.076 4.210 4.120 0.023 0.000 0.277 74 V C 0.085 176.198 176.094 0.032 0.000 1.046 74 V CA -0.240 62.106 62.300 0.077 0.000 0.986 74 V CB 1.247 33.149 31.823 0.131 0.000 0.989 74 V HN 0.842 nan 8.190 nan 0.000 0.475 75 S N 3.771 119.525 115.700 0.090 0.000 2.558 75 S HA 0.210 4.694 4.470 0.023 0.000 0.288 75 S C 1.223 175.854 174.600 0.052 0.000 1.318 75 S CA 0.584 58.824 58.200 0.067 0.000 1.056 75 S CB 0.519 63.780 63.200 0.102 0.000 0.853 75 S HN 1.489 nan 8.310 nan 0.000 0.505 76 T N -1.454 113.124 114.554 0.041 0.000 6.412 76 T HA -0.242 4.121 4.350 0.023 0.000 0.279 76 T C 0.147 174.853 174.700 0.010 0.000 2.177 76 T CA 1.506 63.625 62.100 0.031 0.000 3.599 76 T CB -2.691 66.196 68.868 0.031 0.000 1.259 76 T HN 1.103 nan 8.240 nan 0.000 1.146 77 T N -1.950 112.602 114.554 -0.003 0.000 2.927 77 T HA 0.658 5.022 4.350 0.023 0.000 0.286 77 T C -0.467 174.221 174.700 -0.020 0.000 1.040 77 T CA -0.305 61.790 62.100 -0.009 0.000 1.010 77 T CB 2.160 71.024 68.868 -0.007 0.000 1.177 77 T HN 0.043 nan 8.240 nan 0.000 0.546 78 D N 1.099 121.508 120.400 0.015 0.000 2.615 78 D HA 0.220 4.873 4.640 0.023 0.000 0.236 78 D C -0.332 176.027 176.300 0.100 0.000 1.233 78 D CA -0.071 53.970 54.000 0.067 0.000 0.829 78 D CB 0.395 41.261 40.800 0.111 0.000 1.024 78 D HN 0.504 nan 8.370 nan 0.000 0.490 79 T N 0.692 115.241 114.554 -0.008 0.000 2.767 79 T HA 0.295 4.659 4.350 0.023 0.000 0.288 79 T C -0.449 174.215 174.700 -0.060 0.000 0.963 79 T CA -0.205 61.925 62.100 0.049 0.000 1.019 79 T CB 0.743 69.641 68.868 0.051 0.000 0.923 79 T HN -0.050 nan 8.240 nan 0.000 0.468 80 Y N 2.395 122.733 120.300 0.064 0.000 2.341 80 Y HA 0.571 5.134 4.550 0.023 0.000 0.338 80 Y C 0.155 176.094 175.900 0.065 0.000 0.965 80 Y CA -0.924 57.213 58.100 0.062 0.000 1.108 80 Y CB 1.489 39.960 38.460 0.019 0.000 1.180 80 Y HN 0.481 nan 8.280 nan 0.000 0.458 81 V N -0.670 119.369 119.914 0.208 0.000 3.007 81 V HA 0.568 4.702 4.120 0.023 0.000 0.311 81 V C -0.437 175.765 176.094 0.180 0.000 1.120 81 V CA -1.497 60.904 62.300 0.169 0.000 0.980 81 V CB 1.882 33.798 31.823 0.156 0.000 1.033 81 V HN 0.706 nan 8.190 nan 0.000 0.429 82 E N 1.693 121.973 120.200 0.132 0.000 2.436 82 E HA 0.193 4.557 4.350 0.023 0.000 0.262 82 E C 1.325 178.080 176.600 0.258 0.000 1.063 82 E CA 0.485 56.971 56.400 0.144 0.000 0.944 82 E CB 0.957 30.693 29.700 0.060 0.000 0.950 82 E HN 1.039 nan 8.360 nan 0.000 0.444 83 G N 2.538 111.566 108.800 0.379 0.000 2.471 83 G HA2 -0.247 3.727 3.960 0.023 0.000 0.219 83 G HA3 -0.247 3.727 3.960 0.023 0.000 0.219 83 G C 0.687 175.720 174.900 0.222 0.000 1.125 83 G CA 0.677 45.983 45.100 0.344 0.000 0.775 83 G HN 0.496 nan 8.290 nan 0.000 0.548 84 D N 0.942 121.471 120.400 0.215 0.000 2.218 84 D HA -0.043 4.611 4.640 0.023 0.000 0.204 84 D C 1.387 177.820 176.300 0.221 0.000 0.976 84 D CA 0.931 55.078 54.000 0.244 0.000 0.853 84 D CB -0.002 40.941 40.800 0.239 0.000 0.939 84 D HN 0.169 nan 8.370 nan 0.000 0.481 85 D N -0.369 120.136 120.400 0.174 0.000 2.363 85 D HA 0.026 4.680 4.640 0.023 0.000 0.220 85 D C 1.359 177.745 176.300 0.143 0.000 0.994 85 D CA 0.333 54.423 54.000 0.150 0.000 0.890 85 D CB 0.130 41.007 40.800 0.129 0.000 0.906 85 D HN 0.291 nan 8.370 nan 0.000 0.530 86 L N -0.378 120.935 121.223 0.150 0.000 2.640 86 L HA 0.092 4.446 4.340 0.023 0.000 0.230 86 L C 0.910 177.845 176.870 0.109 0.000 1.123 86 L CA -0.236 54.675 54.840 0.118 0.000 0.900 86 L CB 0.100 42.230 42.059 0.118 0.000 1.146 86 L HN 0.082 nan 8.230 nan 0.000 0.484 87 H N 0.820 119.918 119.070 0.048 0.000 2.764 87 H HA -0.059 4.511 4.556 0.023 0.000 0.341 87 H C 0.943 176.254 175.328 -0.028 0.000 1.072 87 H CA -0.071 55.987 56.048 0.017 0.000 1.444 87 H CB 1.165 30.909 29.762 -0.030 0.000 1.458 87 H HN 0.226 nan 8.280 nan 0.000 0.572 88 F N 3.805 123.750 119.950 -0.008 0.000 2.269 88 F HA -0.127 4.413 4.527 0.023 0.000 0.301 88 F C 1.631 177.534 175.800 0.171 0.000 1.082 88 F CA 0.765 58.792 58.000 0.045 0.000 1.360 88 F CB -0.985 37.997 39.000 -0.031 0.000 1.041 88 F HN 0.238 nan 8.300 nan 0.000 0.512 89 V N 1.508 121.076 119.914 -0.577 0.000 2.490 89 V HA -0.257 3.877 4.120 0.023 0.000 0.250 89 V C 1.446 177.426 176.094 -0.191 0.000 1.061 89 V CA 2.054 64.040 62.300 -0.524 0.000 1.064 89 V CB -0.841 30.572 31.823 -0.684 0.000 0.670 89 V HN 0.436 nan 8.190 nan 0.000 0.461 90 N N 0.411 119.058 118.700 -0.088 0.000 2.270 90 N HA 0.061 4.815 4.740 0.023 0.000 0.198 90 N C 0.221 175.757 175.510 0.043 0.000 1.117 90 N CA 0.175 53.215 53.050 -0.017 0.000 0.845 90 N CB 0.007 38.514 38.487 0.034 0.000 0.980 90 N HN 0.381 nan 8.380 nan 0.000 0.486 91 N N 0.457 119.187 118.700 0.050 0.000 2.577 91 N HA 0.260 5.014 4.740 0.023 0.000 0.275 91 N C 0.069 175.606 175.510 0.045 0.000 1.091 91 N CA -0.204 52.879 53.050 0.055 0.000 0.843 91 N CB 1.472 39.980 38.487 0.036 0.000 1.295 91 N HN -0.060 nan 8.380 nan 0.000 0.530 92 A N 2.813 125.672 122.820 0.065 0.000 2.066 92 A HA 0.086 4.420 4.320 0.023 0.000 0.218 92 A C 1.956 179.466 177.584 -0.124 0.000 1.157 92 A CA 1.538 53.628 52.037 0.088 0.000 0.670 92 A CB -0.209 18.931 19.000 0.233 0.000 0.804 92 A HN 0.671 nan 8.150 nan 0.000 0.453 93 A N -0.307 122.257 122.820 -0.427 0.000 1.930 93 A HA -0.075 4.259 4.320 0.023 0.000 0.217 93 A C 2.197 179.645 177.584 -0.227 0.000 1.175 93 A CA 1.652 53.112 52.037 -0.962 0.000 0.627 93 A CB -0.480 18.144 19.000 -0.626 0.000 0.815 93 A HN 0.518 nan 8.150 nan 0.000 0.443 94 M N -1.026 118.513 119.600 -0.101 0.000 2.132 94 M HA -0.210 4.284 4.480 0.023 0.000 0.263 94 M C 2.457 178.767 176.300 0.016 0.000 1.065 94 M CA 1.653 56.895 55.300 -0.096 0.000 1.122 94 M CB -0.427 32.075 32.600 -0.164 0.000 1.365 94 M HN 0.477 nan 8.290 nan 0.000 0.411 95 Q N -0.193 119.666 119.800 0.099 0.000 2.084 95 Q HA -0.265 4.089 4.340 0.023 0.000 0.202 95 Q C 2.102 178.196 176.000 0.155 0.000 0.978 95 Q CA 1.591 57.514 55.803 0.199 0.000 0.844 95 Q CB -0.200 28.667 28.738 0.214 0.000 0.898 95 Q HN 0.389 nan 8.270 nan 0.000 0.426 96 Q N 0.524 120.383 119.800 0.099 0.000 2.119 96 Q HA -0.111 4.243 4.340 0.023 0.000 0.201 96 Q C 1.854 177.907 176.000 0.088 0.000 0.972 96 Q CA 1.287 57.190 55.803 0.167 0.000 0.847 96 Q CB -0.116 28.846 28.738 0.374 0.000 0.903 96 Q HN 0.359 nan 8.270 nan 0.000 0.433 97 M N -1.128 118.372 119.600 -0.167 0.000 2.080 97 M HA -0.212 4.282 4.480 0.023 0.000 0.260 97 M C 1.886 178.191 176.300 0.009 0.000 1.068 97 M CA 1.944 56.909 55.300 -0.558 0.000 1.109 97 M CB -0.497 31.468 32.600 -1.058 0.000 1.342 97 M HN 0.581 nan 8.290 nan 0.000 0.405 98 W N 1.296 122.540 121.300 -0.093 0.000 2.355 98 W HA -0.237 4.437 4.660 0.023 0.000 0.309 98 W C 1.386 177.945 176.519 0.066 0.000 1.206 98 W CA 1.338 58.677 57.345 -0.011 0.000 1.284 98 W CB -0.334 29.125 29.460 -0.002 0.000 1.145 98 W HN 0.277 nan 8.180 nan 0.000 0.502 99 D N 0.760 121.043 120.400 -0.195 0.000 2.149 99 D HA -0.193 4.461 4.640 0.023 0.000 0.198 99 D C 1.481 177.662 176.300 -0.198 0.000 0.990 99 D CA 1.676 55.497 54.000 -0.300 0.000 0.839 99 D CB -0.690 40.067 40.800 -0.072 0.000 0.948 99 D HN 0.149 nan 8.370 nan 0.000 0.460 100 D N -0.058 120.363 120.400 0.034 0.000 2.178 100 D HA -0.041 4.613 4.640 0.023 0.000 0.202 100 D C 2.210 178.611 176.300 0.168 0.000 0.974 100 D CA 0.299 54.410 54.000 0.185 0.000 0.841 100 D CB -0.063 41.052 40.800 0.524 0.000 0.953 100 D HN 0.285 nan 8.370 nan 0.000 0.478 101 I N 0.051 120.666 120.570 0.075 0.000 2.193 101 I HA -0.154 4.030 4.170 0.023 0.000 0.240 101 I C 2.520 178.516 176.117 -0.202 0.000 1.084 101 I CA 0.610 61.928 61.300 0.030 0.000 1.365 101 I CB -0.136 37.881 38.000 0.029 0.000 1.064 101 I HN -0.117 nan 8.210 nan 0.000 0.410 102 R N 1.868 121.943 120.500 -0.708 0.000 2.105 102 R HA -0.171 4.183 4.340 0.023 0.000 0.239 102 R C 2.225 178.340 176.300 -0.308 0.000 1.135 102 R CA 1.480 57.145 56.100 -0.724 0.000 0.967 102 R CB -0.150 29.406 30.300 -1.240 0.000 0.861 102 R HN 0.381 nan 8.270 nan 0.000 0.442 103 R N -0.342 120.000 120.500 -0.263 0.000 2.335 103 R HA 0.111 4.465 4.340 0.023 0.000 0.223 103 R C -0.609 175.601 176.300 -0.150 0.000 0.940 103 R CA 0.258 56.242 56.100 -0.193 0.000 1.086 103 R CB 0.316 30.489 30.300 -0.212 0.000 1.073 103 R HN -0.077 nan 8.270 nan 0.000 0.504 104 T N 1.694 116.190 114.554 -0.098 0.000 2.824 104 T HA 0.470 4.834 4.350 0.023 0.000 0.280 104 T C -0.496 174.183 174.700 -0.036 0.000 0.995 104 T CA -0.518 61.520 62.100 -0.103 0.000 1.009 104 T CB 1.872 70.668 68.868 -0.119 0.000 0.955 104 T HN 0.205 nan 8.240 nan 0.000 0.452 105 V N 0.865 120.744 119.914 -0.058 0.000 3.114 105 V HA 0.727 4.861 4.120 0.023 0.000 0.308 105 V C -0.989 175.077 176.094 -0.045 0.000 1.168 105 V CA -1.247 61.030 62.300 -0.037 0.000 1.015 105 V CB 1.776 33.566 31.823 -0.056 0.000 1.050 105 V HN 0.825 nan 8.190 nan 0.000 0.433 106 I N 2.004 122.555 120.570 -0.032 0.000 2.412 106 I HA 0.720 4.904 4.170 0.023 0.000 0.296 106 I C -0.920 175.242 176.117 0.075 0.000 0.987 106 I CA -0.924 60.391 61.300 0.025 0.000 1.180 106 I CB 2.012 40.008 38.000 -0.006 0.000 1.340 106 I HN 0.477 nan 8.210 nan 0.000 0.455 107 V N 4.740 124.726 119.914 0.120 0.000 2.612 107 V HA 0.434 4.568 4.120 0.023 0.000 0.301 107 V C 0.492 176.562 176.094 -0.040 0.000 1.059 107 V CA -0.765 61.568 62.300 0.056 0.000 0.886 107 V CB 1.593 33.408 31.823 -0.012 0.000 1.007 107 V HN 0.907 nan 8.190 nan 0.000 0.426 108 G N 2.869 111.524 108.800 -0.242 0.000 2.554 108 G HA2 0.390 4.364 3.960 0.023 0.000 0.238 108 G HA3 0.390 4.364 3.960 0.023 0.000 0.238 108 G C 0.332 174.820 174.900 -0.686 0.000 1.259 108 G CA -0.225 44.289 45.100 -0.978 0.000 0.843 108 G HN 0.739 nan 8.290 nan 0.000 0.582 109 L N 1.389 122.114 121.223 -0.830 0.000 2.769 109 L HA 0.146 4.500 4.340 0.023 0.000 0.240 109 L C 1.626 177.989 176.870 -0.845 0.000 1.163 109 L CA -0.273 54.074 54.840 -0.822 0.000 0.962 109 L CB 0.047 41.529 42.059 -0.962 0.000 1.258 109 L HN 0.480 nan 8.230 nan 0.000 0.513 110 N N -0.534 117.711 118.700 -0.758 0.000 2.173 110 N HA -0.105 4.648 4.740 0.023 0.000 0.184 110 N C 1.590 176.905 175.510 -0.324 0.000 1.025 110 N CA 1.113 53.848 53.050 -0.524 0.000 0.852 110 N CB -0.053 38.086 38.487 -0.580 0.000 0.998 110 N HN 0.341 nan 8.380 nan 0.000 0.427 111 H N 1.403 120.289 119.070 -0.306 0.000 2.389 111 H HA 0.141 4.711 4.556 0.023 0.000 0.299 111 H C 2.065 177.240 175.328 -0.254 0.000 1.081 111 H CA 1.008 56.918 56.048 -0.231 0.000 1.345 111 H CB -0.519 29.126 29.762 -0.195 0.000 1.393 111 H HN 0.207 nan 8.280 nan 0.000 0.520 112 A N 0.806 123.532 122.820 -0.155 0.000 1.883 112 A HA -0.232 4.102 4.320 0.023 0.000 0.217 112 A C 2.066 179.623 177.584 -0.045 0.000 1.186 112 A CA 1.839 53.813 52.037 -0.104 0.000 0.624 112 A CB -1.053 17.924 19.000 -0.037 0.000 0.822 112 A HN 0.599 nan 8.150 nan 0.000 0.444 113 H N -1.026 117.937 119.070 -0.178 0.000 2.421 113 H HA 0.000 4.570 4.556 0.023 0.000 0.298 113 H C 2.462 177.692 175.328 -0.162 0.000 1.087 113 H CA 0.554 56.482 56.048 -0.199 0.000 1.330 113 H CB 0.035 29.681 29.762 -0.193 0.000 1.388 113 H HN 0.585 nan 8.280 nan 0.000 0.526 114 A N 0.599 123.407 122.820 -0.021 0.000 1.930 114 A HA -0.111 4.223 4.320 0.023 0.000 0.217 114 A C 2.574 180.091 177.584 -0.111 0.000 1.175 114 A CA 1.187 53.190 52.037 -0.057 0.000 0.627 114 A CB -0.642 18.334 19.000 -0.040 0.000 0.815 114 A HN 0.195 nan 8.150 nan 0.000 0.443 115 V N 0.282 120.077 119.914 -0.198 0.000 2.343 115 V HA -0.271 3.863 4.120 0.023 0.000 0.247 115 V C 2.404 178.399 176.094 -0.164 0.000 1.051 115 V CA 2.005 64.128 62.300 -0.295 0.000 1.036 115 V CB -0.695 30.695 31.823 -0.722 0.000 0.654 115 V HN 0.574 nan 8.190 nan 0.000 0.451 116 I N -0.224 120.295 120.570 -0.084 0.000 2.226 116 I HA -0.249 3.934 4.170 0.023 0.000 0.245 116 I C 2.550 178.630 176.117 -0.061 0.000 1.100 116 I CA 1.753 63.024 61.300 -0.048 0.000 1.374 116 I CB -0.335 37.538 38.000 -0.211 0.000 1.057 116 I HN 0.381 nan 8.210 nan 0.000 0.413 117 E N 0.451 120.608 120.200 -0.072 0.000 2.112 117 E HA -0.171 4.193 4.350 0.023 0.000 0.190 117 E C 2.081 178.655 176.600 -0.043 0.000 0.979 117 E CA 0.963 57.331 56.400 -0.052 0.000 0.814 117 E CB 0.175 29.843 29.700 -0.052 0.000 0.762 117 E HN 0.360 nan 8.360 nan 0.000 0.460 118 K N 0.246 120.613 120.400 -0.056 0.000 2.063 118 K HA 0.096 4.430 4.320 0.023 0.000 0.204 118 K C 2.064 178.635 176.600 -0.049 0.000 1.039 118 K CA 0.602 56.858 56.287 -0.052 0.000 0.957 118 K CB 0.056 32.518 32.500 -0.063 0.000 0.764 118 K HN -0.133 nan 8.250 nan 0.000 0.447 119 R N 0.276 120.737 120.500 -0.064 0.000 2.073 119 R HA 0.107 4.461 4.340 0.023 0.000 0.229 119 R C 2.071 178.359 176.300 -0.020 0.000 1.120 119 R CA 1.022 57.091 56.100 -0.051 0.000 0.967 119 R CB -0.136 30.119 30.300 -0.076 0.000 0.862 119 R HN 0.101 nan 8.270 nan 0.000 0.436 120 L N -1.021 120.199 121.223 -0.006 0.000 2.307 120 L HA 0.188 4.542 4.340 0.023 0.000 0.211 120 L C 1.055 177.933 176.870 0.015 0.000 1.099 120 L CA 0.459 55.314 54.840 0.024 0.000 0.816 120 L CB 0.008 42.104 42.059 0.062 0.000 0.952 120 L HN 0.414 nan 8.230 nan 0.000 0.455 121 G N 1.509 110.308 108.800 -0.001 0.000 2.272 121 G HA2 -0.269 3.705 3.960 0.023 0.000 0.280 121 G HA3 -0.269 3.705 3.960 0.023 0.000 0.280 121 G C -0.037 174.868 174.900 0.009 0.000 1.067 121 G CA 0.242 45.341 45.100 -0.001 0.000 0.902 121 G HN 0.374 nan 8.290 nan 0.000 0.500 122 K N -0.622 119.784 120.400 0.010 0.000 2.340 122 K HA 0.571 4.905 4.320 0.023 0.000 0.244 122 K C -0.031 176.578 176.600 0.014 0.000 0.973 122 K CA -0.920 55.386 56.287 0.031 0.000 0.828 122 K CB 2.148 34.695 32.500 0.079 0.000 1.226 122 K HN 0.244 nan 8.250 nan 0.000 0.437 123 E N 1.153 121.374 120.200 0.035 0.000 2.313 123 E HA 0.270 4.634 4.350 0.023 0.000 0.272 123 E C -1.221 175.397 176.600 0.029 0.000 1.038 123 E CA -0.673 55.735 56.400 0.014 0.000 0.863 123 E CB 1.196 30.907 29.700 0.018 0.000 1.060 123 E HN 0.177 nan 8.360 nan 0.000 0.402 124 V N 3.332 123.215 119.914 -0.051 0.000 2.495 124 V HA 0.470 4.604 4.120 0.023 0.000 0.298 124 V C -0.015 176.021 176.094 -0.096 0.000 1.031 124 V CA -0.452 61.779 62.300 -0.114 0.000 0.871 124 V CB 1.490 33.068 31.823 -0.408 0.000 0.988 124 V HN 0.934 nan 8.190 nan 0.000 0.432 125 T N 1.927 116.450 114.554 -0.051 0.000 2.787 125 T HA 0.494 4.857 4.350 0.023 0.000 0.297 125 T C -2.574 172.121 174.700 -0.008 0.000 1.221 125 T CA -1.831 60.252 62.100 -0.029 0.000 1.006 125 T CB 2.167 71.034 68.868 -0.003 0.000 1.328 125 T HN 0.252 nan 8.240 nan 0.000 0.509 126 P HA -0.047 nan 4.420 nan 0.000 0.218 126 P C 0.930 178.264 177.300 0.056 0.000 1.148 126 P CA 1.185 64.310 63.100 0.042 0.000 0.822 126 P CB 0.068 31.795 31.700 0.044 0.000 0.784 127 E N -1.317 118.907 120.200 0.040 0.000 2.112 127 E HA -0.109 4.255 4.350 0.023 0.000 0.190 127 E C 2.016 178.644 176.600 0.046 0.000 0.979 127 E CA 1.712 58.137 56.400 0.042 0.000 0.814 127 E CB -1.203 28.507 29.700 0.017 0.000 0.762 127 E HN 0.353 nan 8.360 nan 0.000 0.460 128 T N -0.845 113.730 114.554 0.035 0.000 2.951 128 T HA -0.033 4.331 4.350 0.023 0.000 0.268 128 T C 1.970 176.721 174.700 0.086 0.000 1.073 128 T CA 0.631 62.738 62.100 0.013 0.000 1.134 128 T CB -0.292 68.610 68.868 0.057 0.000 0.884 128 T HN 0.039 nan 8.240 nan 0.000 0.479 129 I N 1.412 122.053 120.570 0.118 0.000 2.202 129 I HA -0.122 4.061 4.170 0.023 0.000 0.242 129 I C 2.941 179.143 176.117 0.142 0.000 1.091 129 I CA 1.315 62.723 61.300 0.179 0.000 1.368 129 I CB -0.711 37.371 38.000 0.137 0.000 1.058 129 I HN 0.246 nan 8.210 nan 0.000 0.410 130 T N -0.973 113.644 114.554 0.104 0.000 2.746 130 T HA -0.251 4.113 4.350 0.023 0.000 0.267 130 T C 1.879 176.596 174.700 0.027 0.000 1.039 130 T CA 1.715 63.866 62.100 0.086 0.000 1.142 130 T CB -0.371 68.593 68.868 0.161 0.000 0.866 130 T HN 0.403 nan 8.240 nan 0.000 0.444 131 H N 0.040 119.086 119.070 -0.040 0.000 2.319 131 H HA -0.127 4.443 4.556 0.023 0.000 0.299 131 H C 1.998 177.247 175.328 -0.130 0.000 1.092 131 H CA 1.929 57.925 56.048 -0.087 0.000 1.302 131 H CB -0.621 29.071 29.762 -0.117 0.000 1.373 131 H HN 0.486 nan 8.280 nan 0.000 0.497 132 Y N 0.438 120.562 120.300 -0.293 0.000 2.165 132 Y HA -0.192 4.372 4.550 0.023 0.000 0.286 132 Y C 2.124 177.841 175.900 -0.305 0.000 1.155 132 Y CA 1.879 59.809 58.100 -0.283 0.000 1.164 132 Y CB -0.432 37.995 38.460 -0.055 0.000 0.978 132 Y HN 0.252 nan 8.280 nan 0.000 0.513 133 L N -0.097 120.826 121.223 -0.500 0.000 2.156 133 L HA -0.130 4.224 4.340 0.023 0.000 0.208 133 L C 2.482 178.791 176.870 -0.936 0.000 1.095 133 L CA 1.028 55.354 54.840 -0.857 0.000 0.770 133 L CB -0.484 40.897 42.059 -1.130 0.000 0.914 133 L HN 0.220 nan 8.230 nan 0.000 0.439 134 E N -0.150 119.682 120.200 -0.613 0.000 2.077 134 E HA -0.170 4.194 4.350 0.023 0.000 0.193 134 E C 2.150 178.602 176.600 -0.248 0.000 0.989 134 E CA 1.822 58.092 56.400 -0.217 0.000 0.800 134 E CB -0.242 29.431 29.700 -0.045 0.000 0.746 134 E HN 0.451 nan 8.360 nan 0.000 0.452 135 T N 1.264 115.578 114.554 -0.399 0.000 2.674 135 T HA -0.126 4.238 4.350 0.023 0.000 0.265 135 T C 2.014 176.548 174.700 -0.278 0.000 1.039 135 T CA 1.224 63.121 62.100 -0.338 0.000 1.150 135 T CB -0.365 68.234 68.868 -0.448 0.000 0.864 135 T HN 0.006 nan 8.240 nan 0.000 0.427 136 V N 2.134 121.757 119.914 -0.484 0.000 2.809 136 V HA -0.061 4.073 4.120 0.023 0.000 0.256 136 V C 2.005 177.991 176.094 -0.181 0.000 1.080 136 V CA 1.348 63.419 62.300 -0.382 0.000 1.102 136 V CB -0.524 30.919 31.823 -0.632 0.000 0.705 136 V HN 0.459 nan 8.190 nan 0.000 0.475 137 N N -0.675 117.947 118.700 -0.131 0.000 2.457 137 N HA -0.129 4.625 4.740 0.023 0.000 0.180 137 N C 1.629 177.189 175.510 0.085 0.000 1.050 137 N CA 1.242 54.315 53.050 0.039 0.000 0.906 137 N CB -0.068 38.523 38.487 0.173 0.000 0.968 137 N HN 0.736 nan 8.380 nan 0.000 0.445 138 H N 0.843 119.891 119.070 -0.036 0.000 2.343 138 H HA 0.153 4.723 4.556 0.023 0.000 0.303 138 H C 1.914 177.232 175.328 -0.016 0.000 1.068 138 H CA 1.788 57.825 56.048 -0.019 0.000 1.359 138 H CB 0.030 29.764 29.762 -0.046 0.000 1.402 138 H HN 0.125 nan 8.280 nan 0.000 0.515 139 A N 0.347 123.123 122.820 -0.072 0.000 1.929 139 A HA -0.063 4.271 4.320 0.023 0.000 0.216 139 A C 2.361 179.899 177.584 -0.076 0.000 1.176 139 A CA 1.477 53.442 52.037 -0.120 0.000 0.628 139 A CB -0.641 18.321 19.000 -0.062 0.000 0.816 139 A HN 0.529 nan 8.150 nan 0.000 0.444 140 M N 0.377 119.975 119.600 -0.003 0.000 2.108 140 M HA -0.031 4.463 4.480 0.023 0.000 0.261 140 M C -1.306 175.162 176.300 0.280 0.000 1.066 140 M CA 1.580 56.955 55.300 0.126 0.000 1.107 140 M CB -1.007 31.659 32.600 0.108 0.000 1.356 140 M HN 0.148 nan 8.290 nan 0.000 0.406 141 P HA 0.194 nan 4.420 nan 0.000 0.237 141 P C 0.059 177.533 177.300 0.291 0.000 1.178 141 P CA 1.390 64.615 63.100 0.208 0.000 0.766 141 P CB 0.015 31.774 31.700 0.098 0.000 0.876 142 G N -1.606 107.291 108.800 0.162 0.000 2.610 142 G HA2 0.186 4.160 3.960 0.023 0.000 0.136 142 G HA3 0.186 4.160 3.960 0.023 0.000 0.136 142 G C -0.191 174.670 174.900 -0.065 0.000 1.070 142 G CA -0.360 44.779 45.100 0.064 0.000 0.812 142 G HN 0.507 nan 8.290 nan 0.000 0.495 143 A N -0.639 122.066 122.820 -0.191 0.000 2.423 143 A HA 1.095 5.429 4.320 0.023 0.000 0.304 143 A C 0.333 177.814 177.584 -0.172 0.000 1.104 143 A CA 0.199 52.068 52.037 -0.281 0.000 0.757 143 A CB 1.615 20.219 19.000 -0.661 0.000 1.313 143 A HN 2.118 nan 8.150 nan 0.000 0.423 144 A N -0.130 122.696 122.820 0.010 0.000 2.295 144 A HA 0.613 4.947 4.320 0.023 0.000 0.318 144 A C 0.739 178.421 177.584 0.164 0.000 1.134 144 A CA 0.210 52.285 52.037 0.063 0.000 0.827 144 A CB 0.669 19.690 19.000 0.036 0.000 1.136 144 A HN 1.989 nan 8.150 nan 0.000 0.493 145 V N -0.560 119.397 119.914 0.072 0.000 3.497 145 V HA 0.210 4.344 4.120 0.023 0.000 0.272 145 V C 0.775 176.869 176.094 -0.000 0.000 1.474 145 V CA 0.859 63.178 62.300 0.032 0.000 1.025 145 V CB -0.332 31.501 31.823 0.016 0.000 0.820 145 V HN 0.491 nan 8.190 nan 0.000 0.437 146 V N -0.551 119.364 119.914 0.001 0.000 3.029 146 V HA 0.259 4.393 4.120 0.023 0.000 0.230 146 V C 0.940 177.036 176.094 0.003 0.000 1.254 146 V CA 0.480 62.778 62.300 -0.003 0.000 1.276 146 V CB 0.496 32.316 31.823 -0.006 0.000 1.080 146 V HN 0.442 nan 8.190 nan 0.000 0.495 147 Q N 0.843 120.647 119.800 0.006 0.000 2.306 147 Q HA 0.319 4.673 4.340 0.023 0.000 0.241 147 Q C -0.377 175.637 176.000 0.022 0.000 0.948 147 Q CA -0.229 55.582 55.803 0.014 0.000 0.886 147 Q CB 1.487 30.235 28.738 0.016 0.000 1.227 147 Q HN 0.344 nan 8.270 nan 0.000 0.457 148 E N 1.175 121.396 120.200 0.035 0.000 2.373 148 E HA -0.051 4.313 4.350 0.023 0.000 0.263 148 E C -0.611 176.055 176.600 0.110 0.000 1.073 148 E CA 0.151 56.583 56.400 0.053 0.000 0.894 148 E CB 0.356 30.090 29.700 0.058 0.000 1.008 148 E HN 0.626 nan 8.360 nan 0.000 0.420 149 H N 2.845 121.915 119.070 -0.000 0.000 2.826 149 H HA -0.137 4.433 4.556 0.023 0.000 0.306 149 H C -0.886 174.441 175.328 -0.001 0.000 1.235 149 H CA 0.683 56.730 56.048 -0.000 0.000 1.150 149 H CB -0.754 29.008 29.762 -0.000 0.000 1.409 149 H HN 0.386 nan 8.280 nan 0.000 0.420 150 M N 0.916 120.523 119.600 0.011 0.000 2.274 150 M HA 0.328 4.822 4.480 0.023 0.000 0.344 150 M C 0.936 177.220 176.300 -0.028 0.000 1.161 150 M CA -0.537 54.771 55.300 0.012 0.000 1.126 150 M CB 1.518 34.120 32.600 0.003 0.000 1.522 150 M HN 0.149 nan 8.290 nan 0.000 0.461 151 V N 0.441 120.354 119.914 -0.001 0.000 2.581 151 V HA 0.728 4.862 4.120 0.023 0.000 0.303 151 V C -0.481 175.610 176.094 -0.004 0.000 1.041 151 V CA -0.603 61.692 62.300 -0.009 0.000 0.907 151 V CB 1.913 33.746 31.823 0.018 0.000 0.994 151 V HN 0.919 nan 8.190 nan 0.000 0.442 152 E N 1.523 121.719 120.200 -0.007 0.000 2.410 152 E HA 0.556 4.920 4.350 0.023 0.000 0.269 152 E C -0.601 176.012 176.600 0.023 0.000 0.937 152 E CA -0.838 55.558 56.400 -0.006 0.000 0.793 152 E CB 2.153 31.835 29.700 -0.030 0.000 1.314 152 E HN 0.975 nan 8.360 nan 0.000 0.447 153 T N -1.187 113.396 114.554 0.047 0.000 2.918 153 T HA 0.027 4.391 4.350 0.023 0.000 0.302 153 T C 0.183 174.938 174.700 0.092 0.000 1.045 153 T CA -0.599 61.559 62.100 0.097 0.000 1.114 153 T CB 0.612 69.569 68.868 0.148 0.000 0.965 153 T HN 0.392 nan 8.240 nan 0.000 0.540 154 H N 3.837 122.928 119.070 0.036 0.000 2.955 154 H HA 0.185 4.755 4.556 0.023 0.000 0.290 154 H C -1.878 173.467 175.328 0.028 0.000 1.047 154 H CA -2.118 53.947 56.048 0.027 0.000 1.484 154 H CB 1.007 30.785 29.762 0.027 0.000 1.501 154 H HN 0.411 nan 8.280 nan 0.000 0.521 155 P HA -0.175 nan 4.420 nan 0.000 0.217 155 P C 1.030 178.466 177.300 0.226 0.000 1.151 155 P CA 2.203 65.405 63.100 0.170 0.000 0.849 155 P CB 0.150 31.900 31.700 0.084 0.000 0.787 156 A N -1.230 121.823 122.820 0.389 0.000 2.066 156 A HA -0.061 4.273 4.320 0.023 0.000 0.218 156 A C 2.059 179.655 177.584 0.020 0.000 1.157 156 A CA 0.912 53.029 52.037 0.133 0.000 0.670 156 A CB -1.366 17.666 19.000 0.052 0.000 0.804 156 A HN 0.144 nan 8.150 nan 0.000 0.453 157 L N -0.307 120.922 121.223 0.009 0.000 2.395 157 L HA -0.040 4.314 4.340 0.023 0.000 0.218 157 L C 1.317 178.201 176.870 0.023 0.000 1.130 157 L CA 0.900 55.730 54.840 -0.016 0.000 0.826 157 L CB 0.116 42.173 42.059 -0.004 0.000 0.941 157 L HN 0.410 nan 8.230 nan 0.000 0.451 158 V N -5.326 114.622 119.914 0.057 0.000 2.991 158 V HA 0.433 4.567 4.120 0.023 0.000 0.355 158 V C 1.429 177.562 176.094 0.064 0.000 1.384 158 V CA 0.227 62.555 62.300 0.046 0.000 1.171 158 V CB 0.054 31.917 31.823 0.066 0.000 1.190 158 V HN 0.100 nan 8.190 nan 0.000 0.540 159 A N 1.454 124.314 122.820 0.066 0.000 2.168 159 A HA -0.050 4.284 4.320 0.023 0.000 0.215 159 A C 1.764 179.413 177.584 0.109 0.000 1.152 159 A CA 1.392 53.478 52.037 0.082 0.000 0.716 159 A CB -0.325 18.711 19.000 0.061 0.000 0.794 159 A HN 0.782 nan 8.150 nan 0.000 0.465 160 D N -0.891 119.570 120.400 0.102 0.000 2.339 160 D HA 0.044 4.698 4.640 0.023 0.000 0.217 160 D C 0.605 176.996 176.300 0.153 0.000 1.050 160 D CA 0.464 54.554 54.000 0.149 0.000 0.856 160 D CB -0.230 40.626 40.800 0.094 0.000 0.922 160 D HN 0.199 nan 8.370 nan 0.000 0.518 161 S N -0.132 115.626 115.700 0.098 0.000 2.508 161 S HA 0.537 5.021 4.470 0.023 0.000 0.284 161 S C -0.958 173.727 174.600 0.141 0.000 1.192 161 S CA -0.642 57.555 58.200 -0.005 0.000 1.070 161 S CB 0.267 63.453 63.200 -0.023 0.000 1.004 161 S HN 0.360 nan 8.310 nan 0.000 0.493 162 Y N 0.534 120.853 120.300 0.031 0.000 2.852 162 Y HA 0.668 5.231 4.550 0.023 0.000 0.350 162 Y C -1.971 173.958 175.900 0.048 0.000 1.272 162 Y CA -1.358 56.775 58.100 0.054 0.000 1.086 162 Y CB 0.501 39.004 38.460 0.071 0.000 1.408 162 Y HN 0.294 nan 8.280 nan 0.000 0.447 163 V N 1.880 121.957 119.914 0.272 0.000 2.531 163 V HA 0.549 4.683 4.120 0.023 0.000 0.301 163 V C -0.554 175.728 176.094 0.313 0.000 1.034 163 V CA -1.008 61.394 62.300 0.170 0.000 0.865 163 V CB 1.481 33.335 31.823 0.052 0.000 0.995 163 V HN 0.753 nan 8.190 nan 0.000 0.424 164 K N 2.391 122.971 120.400 0.299 0.000 2.313 164 K HA 0.903 5.237 4.320 0.023 0.000 0.235 164 K C -0.918 175.808 176.600 0.208 0.000 1.035 164 K CA -0.829 55.640 56.287 0.303 0.000 0.868 164 K CB 2.572 35.270 32.500 0.331 0.000 1.232 164 K HN 0.587 nan 8.250 nan 0.000 0.459 165 V N -1.419 118.622 119.914 0.213 0.000 3.001 165 V HA 0.797 4.931 4.120 0.023 0.000 0.314 165 V C -1.039 175.197 176.094 0.237 0.000 1.099 165 V CA -0.908 61.469 62.300 0.128 0.000 0.989 165 V CB 1.221 33.090 31.823 0.077 0.000 1.040 165 V HN 0.778 nan 8.190 nan 0.000 0.434 166 F N -0.753 119.285 119.950 0.147 0.000 2.643 166 F HA 0.960 5.501 4.527 0.023 0.000 0.314 166 F C -0.518 175.373 175.800 0.150 0.000 1.096 166 F CA -0.485 57.594 58.000 0.133 0.000 0.953 166 F CB 1.610 40.673 39.000 0.106 0.000 1.345 166 F HN 0.907 nan 8.300 nan 0.000 0.468 167 T N -0.552 114.226 114.554 0.374 0.000 2.885 167 T HA 0.481 4.845 4.350 0.023 0.000 0.322 167 T C 0.422 175.261 174.700 0.231 0.000 1.387 167 T CA -0.066 62.190 62.100 0.259 0.000 1.041 167 T CB 1.359 70.303 68.868 0.126 0.000 1.287 167 T HN 1.225 nan 8.240 nan 0.000 0.491 168 G N 2.087 110.998 108.800 0.184 0.000 2.650 168 G HA2 0.054 4.028 3.960 0.023 0.000 0.214 168 G HA3 0.054 4.028 3.960 0.023 0.000 0.214 168 G C 0.636 175.587 174.900 0.085 0.000 1.136 168 G CA -0.096 45.071 45.100 0.111 0.000 0.789 168 G HN 0.687 nan 8.290 nan 0.000 0.536 169 N N 1.130 119.882 118.700 0.086 0.000 2.437 169 N HA 0.055 4.809 4.740 0.023 0.000 0.243 169 N C 0.075 175.626 175.510 0.068 0.000 1.041 169 N CA -0.327 52.761 53.050 0.064 0.000 0.940 169 N CB 0.875 39.394 38.487 0.053 0.000 1.133 169 N HN -0.050 nan 8.380 nan 0.000 0.506 170 D N 2.287 122.723 120.400 0.060 0.000 2.182 170 D HA -0.164 4.490 4.640 0.023 0.000 0.201 170 D C 1.042 177.376 176.300 0.056 0.000 0.986 170 D CA 1.296 55.332 54.000 0.061 0.000 0.847 170 D CB 0.432 41.262 40.800 0.050 0.000 0.942 170 D HN 0.659 nan 8.370 nan 0.000 0.467 171 E N 0.371 120.599 120.200 0.047 0.000 2.208 171 E HA -0.045 4.319 4.350 0.023 0.000 0.193 171 E C 2.456 179.084 176.600 0.048 0.000 0.988 171 E CA 0.198 56.623 56.400 0.042 0.000 0.828 171 E CB -0.011 29.709 29.700 0.033 0.000 0.763 171 E HN 0.429 nan 8.360 nan 0.000 0.478 172 I N 1.248 121.849 120.570 0.053 0.000 2.333 172 I HA -0.143 4.041 4.170 0.023 0.000 0.246 172 I C 2.524 178.687 176.117 0.078 0.000 1.106 172 I CA 0.781 62.117 61.300 0.060 0.000 1.411 172 I CB -0.344 37.690 38.000 0.056 0.000 1.082 172 I HN -0.021 nan 8.210 nan 0.000 0.420 173 A N 0.782 123.654 122.820 0.087 0.000 1.908 173 A HA -0.250 4.084 4.320 0.023 0.000 0.218 173 A C 1.902 179.542 177.584 0.094 0.000 1.181 173 A CA 2.178 54.279 52.037 0.106 0.000 0.627 173 A CB -0.584 18.486 19.000 0.117 0.000 0.818 173 A HN 0.342 nan 8.150 nan 0.000 0.445 174 D N -1.165 119.280 120.400 0.075 0.000 2.269 174 D HA -0.051 4.603 4.640 0.023 0.000 0.208 174 D C 1.788 178.123 176.300 0.060 0.000 0.963 174 D CA 1.337 55.375 54.000 0.063 0.000 0.864 174 D CB -0.087 40.743 40.800 0.051 0.000 0.936 174 D HN 0.600 nan 8.370 nan 0.000 0.505 175 E N 0.082 120.320 120.200 0.064 0.000 2.318 175 E HA 0.081 4.445 4.350 0.023 0.000 0.193 175 E C 0.642 177.291 176.600 0.081 0.000 0.998 175 E CA 0.019 56.456 56.400 0.061 0.000 0.859 175 E CB 0.183 29.915 29.700 0.054 0.000 0.812 175 E HN 0.178 nan 8.360 nan 0.000 0.492 176 I N 1.575 122.208 120.570 0.106 0.000 2.779 176 I HA -0.034 4.150 4.170 0.023 0.000 0.285 176 I C 0.541 176.743 176.117 0.142 0.000 1.134 176 I CA -0.459 60.934 61.300 0.154 0.000 1.398 176 I CB 0.387 38.500 38.000 0.188 0.000 1.404 176 I HN 0.064 nan 8.210 nan 0.000 0.587 177 D N 7.396 127.898 120.400 0.171 0.000 2.531 177 D HA -0.037 4.617 4.640 0.023 0.000 0.239 177 D C -1.656 174.634 176.300 -0.017 0.000 1.144 177 D CA -1.262 52.763 54.000 0.042 0.000 0.869 177 D CB 1.101 41.889 40.800 -0.020 0.000 1.160 177 D HN 0.183 nan 8.370 nan 0.000 0.484 178 P HA -0.031 nan 4.420 nan 0.000 0.234 178 P C 0.829 178.067 177.300 -0.102 0.000 1.167 178 P CA 0.614 63.697 63.100 -0.028 0.000 0.763 178 P CB 0.066 31.748 31.700 -0.031 0.000 0.835 179 A N -0.690 121.968 122.820 -0.271 0.000 1.972 179 A HA -0.139 4.195 4.320 0.023 0.000 0.219 179 A C 1.491 178.862 177.584 -0.355 0.000 1.169 179 A CA 1.310 53.092 52.037 -0.425 0.000 0.635 179 A CB -1.447 17.118 19.000 -0.725 0.000 0.810 179 A HN 0.119 nan 8.150 nan 0.000 0.446 180 F N -1.043 118.924 119.950 0.028 0.000 2.727 180 F HA 0.279 4.820 4.527 0.023 0.000 0.302 180 F C 0.343 176.195 175.800 0.087 0.000 1.097 180 F CA -0.421 57.613 58.000 0.057 0.000 1.330 180 F CB 0.039 39.079 39.000 0.066 0.000 1.084 180 F HN -0.149 nan 8.300 nan 0.000 0.578 181 V N 2.028 122.066 119.914 0.207 0.000 2.459 181 V HA 0.303 4.437 4.120 0.023 0.000 0.295 181 V C 0.143 176.340 176.094 0.171 0.000 1.029 181 V CA -1.056 61.366 62.300 0.203 0.000 0.874 181 V CB 2.241 34.162 31.823 0.164 0.000 0.985 181 V HN -0.052 nan 8.190 nan 0.000 0.438 182 I N 4.203 124.907 120.570 0.223 0.000 2.322 182 I HA 0.185 4.369 4.170 0.023 0.000 0.292 182 I C 0.085 176.315 176.117 0.189 0.000 1.060 182 I CA 0.033 61.447 61.300 0.190 0.000 1.309 182 I CB 0.622 38.752 38.000 0.217 0.000 1.415 182 I HN 0.570 nan 8.210 nan 0.000 0.492 183 D N 7.520 128.004 120.400 0.140 0.000 2.380 183 D HA 0.184 4.838 4.640 0.023 0.000 0.230 183 D C 1.048 177.444 176.300 0.161 0.000 1.154 183 D CA -0.140 53.941 54.000 0.134 0.000 0.859 183 D CB 1.013 41.869 40.800 0.093 0.000 1.045 183 D HN 0.430 nan 8.370 nan 0.000 0.495 184 I N 3.077 123.752 120.570 0.175 0.000 2.286 184 I HA -0.273 3.911 4.170 0.023 0.000 0.248 184 I C 1.924 178.191 176.117 0.251 0.000 1.115 184 I CA 0.576 62.018 61.300 0.236 0.000 1.392 184 I CB -0.110 37.929 38.000 0.066 0.000 1.065 184 I HN 0.378 nan 8.210 nan 0.000 0.418 185 N N 0.833 119.620 118.700 0.145 0.000 2.331 185 N HA -0.174 4.580 4.740 0.023 0.000 0.180 185 N C 1.791 177.362 175.510 0.102 0.000 1.019 185 N CA 1.003 54.121 53.050 0.114 0.000 0.881 185 N CB -0.112 38.421 38.487 0.077 0.000 0.972 185 N HN 0.447 nan 8.380 nan 0.000 0.435 186 K N 0.627 121.082 120.400 0.092 0.000 2.186 186 K HA 0.033 4.367 4.320 0.023 0.000 0.202 186 K C 1.295 177.907 176.600 0.020 0.000 1.052 186 K CA 0.664 56.983 56.287 0.053 0.000 0.965 186 K CB 0.355 32.880 32.500 0.041 0.000 0.746 186 K HN -0.053 nan 8.250 nan 0.000 0.457 187 Q N -0.533 119.270 119.800 0.005 0.000 2.408 187 Q HA 0.119 4.473 4.340 0.023 0.000 0.205 187 Q C -0.404 175.318 176.000 -0.463 0.000 0.919 187 Q CA 0.517 56.185 55.803 -0.224 0.000 0.932 187 Q CB 0.463 28.989 28.738 -0.352 0.000 1.058 187 Q HN 0.125 nan 8.270 nan 0.000 0.517 188 F N 1.602 121.555 119.950 0.004 0.000 2.546 188 F HA 0.418 4.959 4.527 0.023 0.000 0.320 188 F C -1.940 173.833 175.800 -0.046 0.000 1.076 188 F CA -2.626 55.363 58.000 -0.019 0.000 0.928 188 F CB 1.626 40.605 39.000 -0.035 0.000 1.189 188 F HN -0.184 nan 8.300 nan 0.000 0.465 189 P HA 0.039 nan 4.420 nan 0.000 0.274 189 P C 0.278 177.559 177.300 -0.031 0.000 1.246 189 P CA -0.102 62.958 63.100 -0.067 0.000 0.795 189 P CB 1.074 32.538 31.700 -0.394 0.000 1.006 190 E N 0.999 121.183 120.200 -0.027 0.000 2.085 190 E HA -0.252 4.112 4.350 0.023 0.000 0.194 190 E C 1.284 177.873 176.600 -0.019 0.000 0.994 190 E CA 1.688 58.087 56.400 -0.003 0.000 0.801 190 E CB -0.207 29.494 29.700 0.001 0.000 0.743 190 E HN 0.476 nan 8.360 nan 0.000 0.453 191 D N 0.347 120.718 120.400 -0.049 0.000 2.117 191 D HA -0.254 4.400 4.640 0.023 0.000 0.197 191 D C 1.856 178.129 176.300 -0.044 0.000 0.987 191 D CA 1.337 55.309 54.000 -0.046 0.000 0.829 191 D CB -0.627 40.136 40.800 -0.063 0.000 0.961 191 D HN 0.370 nan 8.370 nan 0.000 0.460 192 Q N 0.281 120.047 119.800 -0.057 0.000 2.083 192 Q HA 0.044 4.398 4.340 0.023 0.000 0.198 192 Q C 2.463 178.410 176.000 -0.087 0.000 0.969 192 Q CA 1.312 57.089 55.803 -0.044 0.000 0.838 192 Q CB -0.172 28.583 28.738 0.028 0.000 0.900 192 Q HN 0.429 nan 8.270 nan 0.000 0.436 193 A N 1.342 124.144 122.820 -0.030 0.000 1.902 193 A HA -0.210 4.123 4.320 0.023 0.000 0.217 193 A C 1.929 179.478 177.584 -0.060 0.000 1.181 193 A CA 1.337 53.342 52.037 -0.052 0.000 0.623 193 A CB -0.300 18.730 19.000 0.051 0.000 0.818 193 A HN 0.185 nan 8.150 nan 0.000 0.443 194 E N -0.383 119.800 120.200 -0.028 0.000 2.106 194 E HA -0.110 4.254 4.350 0.023 0.000 0.192 194 E C 2.152 178.741 176.600 -0.019 0.000 0.984 194 E CA 1.599 57.989 56.400 -0.016 0.000 0.806 194 E CB -0.860 28.838 29.700 -0.004 0.000 0.750 194 E HN 0.592 nan 8.360 nan 0.000 0.458 195 T N 1.783 116.324 114.554 -0.021 0.000 2.708 195 T HA -0.089 4.275 4.350 0.023 0.000 0.266 195 T C 2.123 176.820 174.700 -0.004 0.000 1.037 195 T CA 0.869 62.977 62.100 0.013 0.000 1.146 195 T CB -0.229 68.659 68.868 0.033 0.000 0.865 195 T HN 0.085 nan 8.240 nan 0.000 0.435 196 L N 0.344 121.507 121.223 -0.099 0.000 2.093 196 L HA -0.072 4.282 4.340 0.023 0.000 0.208 196 L C 2.631 179.413 176.870 -0.147 0.000 1.085 196 L CA 1.338 56.054 54.840 -0.206 0.000 0.755 196 L CB -0.405 41.379 42.059 -0.458 0.000 0.904 196 L HN 0.207 nan 8.230 nan 0.000 0.435 197 K N -0.061 120.286 120.400 -0.089 0.000 2.148 197 K HA -0.078 4.256 4.320 0.023 0.000 0.204 197 K C 2.202 178.799 176.600 -0.004 0.000 1.050 197 K CA 1.148 57.420 56.287 -0.025 0.000 0.942 197 K CB -0.174 32.326 32.500 -0.000 0.000 0.724 197 K HN 0.265 nan 8.250 nan 0.000 0.446 198 A N 1.590 124.406 122.820 -0.006 0.000 1.969 198 A HA -0.149 4.185 4.320 0.023 0.000 0.218 198 A C 1.863 179.450 177.584 0.005 0.000 1.169 198 A CA 1.242 53.285 52.037 0.010 0.000 0.635 198 A CB -0.140 18.871 19.000 0.018 0.000 0.810 198 A HN 0.136 nan 8.150 nan 0.000 0.445 199 E N -0.091 120.095 120.200 -0.024 0.000 2.072 199 E HA -0.095 4.269 4.350 0.023 0.000 0.191 199 E C 2.187 178.755 176.600 -0.054 0.000 0.985 199 E CA 1.366 57.726 56.400 -0.066 0.000 0.801 199 E CB -0.491 29.088 29.700 -0.202 0.000 0.750 199 E HN 0.409 nan 8.360 nan 0.000 0.452 200 V N 0.266 120.163 119.914 -0.029 0.000 2.488 200 V HA -0.045 4.089 4.120 0.023 0.000 0.246 200 V C 1.668 177.835 176.094 0.121 0.000 1.046 200 V CA 1.131 63.477 62.300 0.077 0.000 1.053 200 V CB -1.128 30.797 31.823 0.171 0.000 0.679 200 V HN 0.430 nan 8.190 nan 0.000 0.458 201 G N 0.881 109.727 108.800 0.076 0.000 2.582 201 G HA2 -0.354 3.620 3.960 0.023 0.000 0.288 201 G HA3 -0.354 3.620 3.960 0.023 0.000 0.288 201 G C 0.285 175.234 174.900 0.081 0.000 1.247 201 G CA 0.513 45.654 45.100 0.068 0.000 0.972 201 G HN 0.391 nan 8.290 nan 0.000 0.557 202 D N 1.967 122.402 120.400 0.059 0.000 2.349 202 D HA 0.288 4.942 4.640 0.023 0.000 0.224 202 D C 1.548 177.864 176.300 0.026 0.000 1.029 202 D CA 0.993 55.019 54.000 0.043 0.000 0.879 202 D CB -0.546 40.268 40.800 0.023 0.000 0.906 202 D HN 0.740 nan 8.370 nan 0.000 0.528 203 G N 0.546 109.384 108.800 0.062 0.000 2.491 203 G HA2 0.364 4.338 3.960 0.023 0.000 0.238 203 G HA3 0.364 4.338 3.960 0.023 0.000 0.238 203 G C -0.046 174.809 174.900 -0.074 0.000 1.277 203 G CA -0.288 44.800 45.100 -0.020 0.000 0.851 203 G HN 0.130 nan 8.290 nan 0.000 0.573 204 I N 0.642 120.972 120.570 -0.400 0.000 2.465 204 I HA 0.402 4.585 4.170 0.023 0.000 0.291 204 I C -1.061 174.564 176.117 -0.819 0.000 1.014 204 I CA -0.574 60.499 61.300 -0.378 0.000 1.093 204 I CB 2.029 39.898 38.000 -0.218 0.000 1.267 204 I HN 0.467 nan 8.210 nan 0.000 0.431 205 W N 4.147 125.086 121.300 -0.600 0.000 2.883 205 W HA 0.500 5.175 4.660 0.024 0.000 0.335 205 W C -0.642 175.510 176.519 -0.612 0.000 1.083 205 W CA -0.449 56.472 57.345 -0.707 0.000 1.233 205 W CB 1.499 30.276 29.460 -1.139 0.000 1.412 205 W HN 0.307 nan 8.180 nan 0.000 0.490 206 Q N 1.371 121.092 119.800 -0.133 0.000 2.261 206 Q HA 0.527 4.881 4.340 0.023 0.000 0.252 206 Q C -0.715 175.299 176.000 0.024 0.000 0.915 206 Q CA -0.703 55.078 55.803 -0.036 0.000 0.915 206 Q CB 1.903 30.643 28.738 0.002 0.000 1.204 206 Q HN 0.227 nan 8.270 nan 0.000 0.421 207 V N 3.373 123.325 119.914 0.064 0.000 2.334 207 V HA 0.289 4.423 4.120 0.023 0.000 0.281 207 V C -0.440 175.629 176.094 -0.040 0.000 1.016 207 V CA -0.648 61.669 62.300 0.028 0.000 0.832 207 V CB 1.414 33.279 31.823 0.071 0.000 0.999 207 V HN 0.502 nan 8.190 nan 0.000 0.439 208 V N 6.520 126.384 119.914 -0.084 0.000 2.435 208 V HA 0.558 4.692 4.120 0.023 0.000 0.290 208 V C 0.077 176.046 176.094 -0.207 0.000 1.030 208 V CA -0.732 61.502 62.300 -0.111 0.000 0.881 208 V CB 1.822 33.626 31.823 -0.031 0.000 0.983 208 V HN 0.785 nan 8.190 nan 0.000 0.445 209 R N 5.056 125.358 120.500 -0.329 0.000 2.409 209 R HA 0.578 4.932 4.340 0.023 0.000 0.313 209 R C -0.416 175.710 176.300 -0.290 0.000 0.953 209 R CA -0.546 55.335 56.100 -0.365 0.000 0.849 209 R CB 2.133 32.087 30.300 -0.577 0.000 1.171 209 R HN 0.841 nan 8.270 nan 0.000 0.458 210 I N -0.165 120.239 120.570 -0.277 0.000 2.970 210 I HA 0.528 4.712 4.170 0.023 0.000 0.310 210 I C -2.315 173.562 176.117 -0.399 0.000 1.010 210 I CA -2.851 58.194 61.300 -0.425 0.000 1.228 210 I CB 0.767 38.353 38.000 -0.690 0.000 1.433 210 I HN 0.252 nan 8.210 nan 0.000 0.573 211 P HA 0.110 nan 4.420 nan 0.000 0.268 211 P C 0.234 177.384 177.300 -0.250 0.000 1.204 211 P CA -0.035 62.890 63.100 -0.292 0.000 0.768 211 P CB 0.755 32.283 31.700 -0.286 0.000 0.842 212 T N 2.584 117.056 114.554 -0.137 0.000 2.759 212 T HA -0.178 4.186 4.350 0.023 0.000 0.269 212 T C 1.600 176.247 174.700 -0.088 0.000 1.042 212 T CA 1.095 63.139 62.100 -0.093 0.000 1.140 212 T CB -0.669 68.189 68.868 -0.016 0.000 0.864 212 T HN 0.424 nan 8.240 nan 0.000 0.455 213 I N 0.719 121.241 120.570 -0.080 0.000 2.361 213 I HA -0.138 4.046 4.170 0.023 0.000 0.251 213 I C 2.081 178.147 176.117 -0.085 0.000 1.133 213 I CA 0.986 62.254 61.300 -0.054 0.000 1.413 213 I CB 0.042 38.022 38.000 -0.033 0.000 1.073 213 I HN 0.071 nan 8.210 nan 0.000 0.424 214 V N -0.441 119.364 119.914 -0.180 0.000 2.379 214 V HA -0.222 3.912 4.120 0.023 0.000 0.245 214 V C 2.502 178.504 176.094 -0.153 0.000 1.044 214 V CA 1.900 64.073 62.300 -0.212 0.000 1.036 214 V CB -0.293 31.197 31.823 -0.556 0.000 0.664 214 V HN 0.448 nan 8.190 nan 0.000 0.453 215 S N -0.446 115.146 115.700 -0.180 0.000 2.382 215 S HA -0.198 4.286 4.470 0.023 0.000 0.228 215 S C 2.187 176.762 174.600 -0.042 0.000 1.027 215 S CA 1.576 59.703 58.200 -0.121 0.000 0.991 215 S CB -0.183 62.914 63.200 -0.173 0.000 0.823 215 S HN 0.545 nan 8.310 nan 0.000 0.469 216 R N -0.152 120.331 120.500 -0.029 0.000 2.075 216 R HA -0.019 4.335 4.340 0.023 0.000 0.232 216 R C 2.453 178.771 176.300 0.031 0.000 1.126 216 R CA 1.793 57.906 56.100 0.022 0.000 0.963 216 R CB -0.859 29.457 30.300 0.027 0.000 0.858 216 R HN 0.355 nan 8.270 nan 0.000 0.435 217 T N 0.238 114.802 114.554 0.016 0.000 2.788 217 T HA -0.114 4.250 4.350 0.023 0.000 0.268 217 T C 1.505 176.232 174.700 0.045 0.000 1.044 217 T CA 0.979 63.097 62.100 0.031 0.000 1.139 217 T CB -0.028 68.858 68.868 0.030 0.000 0.867 217 T HN 0.288 nan 8.240 nan 0.000 0.454 218 C N 0.679 120.005 119.300 0.044 0.000 2.619 218 C HA 0.603 5.077 4.460 0.023 0.000 0.073 218 C C -0.083 174.958 174.990 0.085 0.000 2.364 218 C CA -0.523 58.535 59.018 0.067 0.000 1.846 218 C CB 0.659 28.445 27.740 0.077 0.000 2.824 218 C HN 0.706 nan 8.230 nan 0.000 0.336 219 D N -1.124 119.333 120.400 0.096 0.000 2.759 219 D HA 0.314 4.968 4.640 0.023 0.000 0.321 219 D C 0.581 176.955 176.300 0.123 0.000 1.267 219 D CA 0.200 54.285 54.000 0.143 0.000 0.933 219 D CB 0.466 41.366 40.800 0.166 0.000 1.431 219 D HN 0.483 nan 8.370 nan 0.000 0.504 220 G N -0.494 108.411 108.800 0.176 0.000 2.422 220 G HA2 0.034 4.008 3.960 0.023 0.000 0.218 220 G HA3 0.034 4.008 3.960 0.023 0.000 0.218 220 G C 1.273 176.245 174.900 0.119 0.000 1.140 220 G CA 1.065 46.242 45.100 0.128 0.000 0.775 220 G HN 0.700 nan 8.290 nan 0.000 0.545 221 A N 0.196 123.091 122.820 0.125 0.000 2.168 221 A HA 0.123 4.456 4.320 0.023 0.000 0.215 221 A C 2.399 180.060 177.584 0.129 0.000 1.152 221 A CA 1.948 54.050 52.037 0.108 0.000 0.716 221 A CB -0.532 18.520 19.000 0.086 0.000 0.794 221 A HN 0.251 nan 8.150 nan 0.000 0.465 222 T N -0.023 114.607 114.554 0.127 0.000 2.788 222 T HA -0.121 4.243 4.350 0.023 0.000 0.268 222 T C 2.000 176.806 174.700 0.177 0.000 1.044 222 T CA 1.949 64.142 62.100 0.154 0.000 1.139 222 T CB -0.421 68.526 68.868 0.133 0.000 0.867 222 T HN 0.561 nan 8.240 nan 0.000 0.454 223 T N 2.322 116.952 114.554 0.127 0.000 2.684 223 T HA -0.144 4.219 4.350 0.023 0.000 0.267 223 T C 2.467 177.262 174.700 0.158 0.000 1.036 223 T CA 1.775 63.937 62.100 0.103 0.000 1.148 223 T CB -0.502 68.395 68.868 0.048 0.000 0.863 223 T HN 0.625 nan 8.240 nan 0.000 0.436 224 S N 1.605 117.416 115.700 0.186 0.000 2.428 224 S HA -0.009 4.475 4.470 0.023 0.000 0.230 224 S C 2.022 176.713 174.600 0.152 0.000 1.014 224 S CA 0.417 58.703 58.200 0.142 0.000 0.957 224 S CB -0.303 62.987 63.200 0.151 0.000 0.784 224 S HN 0.437 nan 8.310 nan 0.000 0.499 225 R N -0.123 120.487 120.500 0.182 0.000 2.062 225 R HA -0.004 4.350 4.340 0.023 0.000 0.229 225 R C 2.192 178.594 176.300 0.169 0.000 1.128 225 R CA 1.326 57.517 56.100 0.151 0.000 0.960 225 R CB -0.440 29.946 30.300 0.143 0.000 0.855 225 R HN 0.584 nan 8.270 nan 0.000 0.432 226 W N 1.780 123.096 121.300 0.027 0.000 2.354 226 W HA -0.185 4.489 4.660 0.023 0.000 0.315 226 W C 2.205 178.725 176.519 0.001 0.000 1.206 226 W CA 1.830 59.182 57.345 0.012 0.000 1.290 226 W CB -0.755 28.708 29.460 0.006 0.000 1.152 226 W HN 0.066 nan 8.180 nan 0.000 0.489 227 S N 0.899 116.810 115.700 0.352 0.000 2.368 227 S HA -0.248 4.236 4.470 0.023 0.000 0.226 227 S C 2.137 176.798 174.600 0.100 0.000 1.044 227 S CA 2.786 61.107 58.200 0.201 0.000 1.062 227 S CB -0.807 62.466 63.200 0.121 0.000 0.931 227 S HN 0.277 nan 8.310 nan 0.000 0.440 228 A N 1.393 124.260 122.820 0.078 0.000 1.969 228 A HA 0.038 4.372 4.320 0.023 0.000 0.218 228 A C 2.262 179.858 177.584 0.019 0.000 1.169 228 A CA 1.578 53.645 52.037 0.050 0.000 0.635 228 A CB -0.529 18.504 19.000 0.054 0.000 0.810 228 A HN 0.571 nan 8.150 nan 0.000 0.445 229 M N -0.534 119.049 119.600 -0.029 0.000 2.086 229 M HA -0.110 4.384 4.480 0.023 0.000 0.261 229 M C 2.031 178.275 176.300 -0.094 0.000 1.067 229 M CA 1.287 56.535 55.300 -0.087 0.000 1.116 229 M CB -1.317 31.169 32.600 -0.191 0.000 1.348 229 M HN 0.385 nan 8.290 nan 0.000 0.407 230 Q N -0.303 119.433 119.800 -0.106 0.000 2.269 230 Q HA 0.155 4.509 4.340 0.023 0.000 0.201 230 Q C 2.245 178.227 176.000 -0.029 0.000 0.946 230 Q CA 0.739 56.486 55.803 -0.092 0.000 0.877 230 Q CB -0.155 28.523 28.738 -0.099 0.000 0.963 230 Q HN 0.537 nan 8.270 nan 0.000 0.472 231 I N 0.562 121.148 120.570 0.026 0.000 2.163 231 I HA -0.231 3.953 4.170 0.023 0.000 0.243 231 I C 2.236 178.394 176.117 0.068 0.000 1.085 231 I CA 1.441 62.809 61.300 0.113 0.000 1.347 231 I CB -0.552 37.518 38.000 0.117 0.000 1.044 231 I HN 0.227 nan 8.210 nan 0.000 0.408 232 G N 0.548 109.357 108.800 0.015 0.000 2.418 232 G HA2 -0.227 3.747 3.960 0.023 0.000 0.217 232 G HA3 -0.227 3.747 3.960 0.023 0.000 0.217 232 G C 1.626 176.493 174.900 -0.055 0.000 1.158 232 G CA 0.474 45.557 45.100 -0.028 0.000 0.771 232 G HN 0.109 nan 8.290 nan 0.000 0.545 233 M N 1.260 120.833 119.600 -0.044 0.000 2.117 233 M HA -0.004 4.490 4.480 0.023 0.000 0.262 233 M C 2.703 178.980 176.300 -0.039 0.000 1.065 233 M CA 1.098 56.370 55.300 -0.048 0.000 1.114 233 M CB -1.192 31.373 32.600 -0.058 0.000 1.361 233 M HN 0.170 nan 8.290 nan 0.000 0.408 234 S N -0.106 115.580 115.700 -0.024 0.000 2.406 234 S HA 0.015 4.499 4.470 0.023 0.000 0.228 234 S C 1.940 176.619 174.600 0.131 0.000 1.020 234 S CA 0.759 58.940 58.200 -0.031 0.000 0.965 234 S CB -0.021 63.064 63.200 -0.191 0.000 0.798 234 S HN 0.358 nan 8.310 nan 0.000 0.488 235 M N 1.061 120.739 119.600 0.131 0.000 2.086 235 M HA -0.006 4.488 4.480 0.023 0.000 0.261 235 M C 2.049 178.314 176.300 -0.059 0.000 1.067 235 M CA 1.419 56.699 55.300 -0.033 0.000 1.116 235 M CB -1.178 31.061 32.600 -0.602 0.000 1.348 235 M HN 0.302 nan 8.290 nan 0.000 0.407 236 I N -0.730 119.778 120.570 -0.103 0.000 2.179 236 I HA -0.287 3.897 4.170 0.023 0.000 0.242 236 I C 2.763 178.877 176.117 -0.004 0.000 1.088 236 I CA 1.339 62.608 61.300 -0.052 0.000 1.357 236 I CB -0.344 37.629 38.000 -0.045 0.000 1.051 236 I HN 0.307 nan 8.210 nan 0.000 0.409 237 S N 0.266 115.959 115.700 -0.012 0.000 2.357 237 S HA -0.050 4.434 4.470 0.023 0.000 0.221 237 S C 2.123 176.713 174.600 -0.016 0.000 1.031 237 S CA 1.182 59.371 58.200 -0.019 0.000 0.982 237 S CB -0.143 63.028 63.200 -0.048 0.000 0.853 237 S HN 0.430 nan 8.310 nan 0.000 0.458 238 A N -0.730 122.062 122.820 -0.046 0.000 2.016 238 A HA 0.193 4.527 4.320 0.023 0.000 0.217 238 A C 1.306 178.742 177.584 -0.247 0.000 1.162 238 A CA 0.795 52.745 52.037 -0.146 0.000 0.662 238 A CB -0.500 18.358 19.000 -0.238 0.000 0.812 238 A HN 0.691 nan 8.150 nan 0.000 0.450 239 Y N -0.854 119.471 120.300 0.043 0.000 2.531 239 Y HA 0.243 4.807 4.550 0.023 0.000 0.249 239 Y C 0.336 176.246 175.900 0.017 0.000 1.168 239 Y CA -0.306 57.810 58.100 0.026 0.000 1.226 239 Y CB 0.262 38.719 38.460 -0.004 0.000 1.177 239 Y HN 0.253 nan 8.280 nan 0.000 0.527 240 K N 0.324 120.785 120.400 0.102 0.000 3.071 240 K HA -0.277 4.057 4.320 0.023 0.000 0.265 240 K C -0.167 176.475 176.600 0.070 0.000 1.060 240 K CA 0.373 56.700 56.287 0.066 0.000 0.767 240 K CB -1.526 31.003 32.500 0.048 0.000 1.241 240 K HN 0.487 nan 8.250 nan 0.000 0.486 241 Q N 0.039 119.882 119.800 0.071 0.000 2.524 241 Q HA 0.327 4.681 4.340 0.023 0.000 0.246 241 Q C 0.543 176.568 176.000 0.042 0.000 1.063 241 Q CA 0.476 56.316 55.803 0.062 0.000 0.945 241 Q CB 0.552 29.320 28.738 0.050 0.000 1.292 241 Q HN 0.422 nan 8.270 nan 0.000 0.518 242 A N 1.105 123.949 122.820 0.042 0.000 2.561 242 A HA 0.298 4.632 4.320 0.023 0.000 0.234 242 A C -0.020 177.580 177.584 0.026 0.000 1.055 242 A CA 0.451 52.506 52.037 0.030 0.000 0.756 242 A CB -0.069 18.948 19.000 0.029 0.000 0.986 242 A HN 0.747 nan 8.150 nan 0.000 0.505 243 A N 2.302 125.133 122.820 0.017 0.000 3.026 243 A HA 0.526 4.860 4.320 0.023 0.000 0.272 243 A C 1.070 178.663 177.584 0.014 0.000 1.782 243 A CA 0.458 52.501 52.037 0.011 0.000 1.451 243 A CB -1.458 17.545 19.000 0.005 0.000 1.081 243 A HN 2.695 nan 8.150 nan 0.000 0.611 244 G N 1.552 110.366 108.800 0.024 0.000 2.698 244 G HA2 0.080 4.054 3.960 0.023 0.000 0.360 244 G HA3 0.080 4.054 3.960 0.023 0.000 0.360 244 G C -0.692 174.228 174.900 0.033 0.000 1.005 244 G CA -0.158 44.960 45.100 0.029 0.000 1.293 244 G HN 1.105 nan 8.290 nan 0.000 0.590 245 E N 0.208 120.436 120.200 0.048 0.000 2.404 245 E HA 0.826 5.189 4.350 0.023 0.000 0.264 245 E C 1.459 178.087 176.600 0.046 0.000 0.946 245 E CA -0.535 55.890 56.400 0.043 0.000 0.806 245 E CB 1.096 30.823 29.700 0.045 0.000 1.334 245 E HN 0.931 nan 8.360 nan 0.000 0.429 246 A N 0.834 123.672 122.820 0.030 0.000 1.917 246 A HA -0.208 4.126 4.320 0.023 0.000 0.219 246 A C 2.246 179.846 177.584 0.027 0.000 1.182 246 A CA 2.459 54.507 52.037 0.018 0.000 0.633 246 A CB -1.311 17.688 19.000 -0.001 0.000 0.819 246 A HN 0.712 nan 8.150 nan 0.000 0.448 247 A N -1.093 121.754 122.820 0.046 0.000 2.070 247 A HA -0.045 4.289 4.320 0.023 0.000 0.220 247 A C 2.167 179.846 177.584 0.158 0.000 1.159 247 A CA 2.070 54.137 52.037 0.050 0.000 0.656 247 A CB -1.155 17.894 19.000 0.082 0.000 0.800 247 A HN 0.466 nan 8.150 nan 0.000 0.453 248 T N -0.190 114.492 114.554 0.213 0.000 2.803 248 T HA -0.078 4.286 4.350 0.023 0.000 0.269 248 T C 1.889 176.731 174.700 0.237 0.000 1.052 248 T CA 1.350 63.626 62.100 0.292 0.000 1.136 248 T CB -0.457 68.498 68.868 0.146 0.000 0.864 248 T HN 0.589 nan 8.240 nan 0.000 0.467 249 G N 1.206 110.077 108.800 0.119 0.000 2.443 249 G HA2 -0.167 3.807 3.960 0.023 0.000 0.219 249 G HA3 -0.167 3.807 3.960 0.023 0.000 0.219 249 G C 1.255 176.198 174.900 0.071 0.000 1.131 249 G CA 0.556 45.706 45.100 0.084 0.000 0.775 249 G HN 0.375 nan 8.290 nan 0.000 0.547 250 D N 0.333 120.725 120.400 -0.013 0.000 2.183 250 D HA -0.021 4.633 4.640 0.023 0.000 0.203 250 D C 2.054 178.291 176.300 -0.104 0.000 0.969 250 D CA 0.352 54.289 54.000 -0.105 0.000 0.842 250 D CB -0.255 40.368 40.800 -0.294 0.000 0.957 250 D HN 0.347 nan 8.370 nan 0.000 0.484 251 F N 1.533 121.495 119.950 0.020 0.000 2.171 251 F HA -0.082 4.459 4.527 0.023 0.000 0.300 251 F C 2.477 178.292 175.800 0.026 0.000 1.090 251 F CA 0.895 58.897 58.000 0.004 0.000 1.293 251 F CB -0.597 38.397 39.000 -0.010 0.000 1.013 251 F HN -0.077 nan 8.300 nan 0.000 0.486 252 A N -0.930 122.029 122.820 0.232 0.000 1.897 252 A HA -0.220 4.114 4.320 0.023 0.000 0.215 252 A C 2.054 179.729 177.584 0.152 0.000 1.181 252 A CA 1.305 53.438 52.037 0.160 0.000 0.620 252 A CB -1.368 17.715 19.000 0.139 0.000 0.821 252 A HN 0.453 nan 8.150 nan 0.000 0.443 253 Y N 0.705 121.024 120.300 0.031 0.000 2.224 253 Y HA -0.059 4.505 4.550 0.023 0.000 0.289 253 Y C 2.614 178.530 175.900 0.027 0.000 1.146 253 Y CA 1.051 59.162 58.100 0.017 0.000 1.182 253 Y CB -0.448 38.003 38.460 -0.015 0.000 0.983 253 Y HN 0.307 nan 8.280 nan 0.000 0.524 254 A N 0.243 123.085 122.820 0.038 0.000 1.902 254 A HA -0.087 4.247 4.320 0.023 0.000 0.217 254 A C 2.354 179.910 177.584 -0.047 0.000 1.181 254 A CA 1.863 53.894 52.037 -0.010 0.000 0.623 254 A CB -1.396 17.635 19.000 0.051 0.000 0.818 254 A HN 0.549 nan 8.150 nan 0.000 0.443 255 A N -0.991 121.826 122.820 -0.004 0.000 2.067 255 A HA 0.131 4.465 4.320 0.023 0.000 0.217 255 A C 1.337 178.903 177.584 -0.030 0.000 1.156 255 A CA 0.756 52.786 52.037 -0.011 0.000 0.683 255 A CB -0.059 18.963 19.000 0.036 0.000 0.808 255 A HN 0.521 nan 8.150 nan 0.000 0.455 259 E N 0.050 120.241 120.200 -0.016 0.000 3.191 259 E HA 0.483 4.847 4.350 0.023 0.000 0.192 259 E C -0.554 176.081 176.600 0.058 0.000 0.972 259 E CA -0.157 56.230 56.400 -0.022 0.000 1.266 259 E CB 0.604 30.117 29.700 -0.313 0.000 1.076 259 E HN 0.252 nan 8.360 nan 0.000 0.462 260 V N 1.727 121.639 119.914 -0.003 0.000 2.644 260 V HA 0.360 4.493 4.120 0.023 0.000 0.295 260 V C -0.681 175.382 176.094 -0.051 0.000 1.053 260 V CA -0.713 61.550 62.300 -0.062 0.000 0.987 260 V CB 1.325 33.031 31.823 -0.195 0.000 1.006 260 V HN 0.294 nan 8.190 nan 0.000 0.472 261 I N 5.903 126.424 120.570 -0.082 0.000 2.420 261 I HA 0.398 4.582 4.170 0.023 0.000 0.282 261 I C -0.082 175.997 176.117 -0.062 0.000 1.019 261 I CA -0.377 60.889 61.300 -0.056 0.000 1.130 261 I CB 0.843 38.776 38.000 -0.112 0.000 1.262 261 I HN 0.701 nan 8.210 nan 0.000 0.454 262 H N 5.041 124.173 119.070 0.103 0.000 2.690 262 H HA 0.246 4.816 4.556 0.023 0.000 0.365 262 H C 1.285 176.730 175.328 0.196 0.000 1.142 262 H CA -0.275 55.844 56.048 0.118 0.000 1.417 262 H CB 1.237 31.059 29.762 0.100 0.000 1.446 262 H HN 0.405 nan 8.280 nan 0.000 0.599 263 M N 1.023 120.813 119.600 0.317 0.000 2.200 263 M HA 0.085 4.579 4.480 0.023 0.000 0.265 263 M C 1.030 177.489 176.300 0.266 0.000 1.066 263 M CA 0.790 56.287 55.300 0.329 0.000 1.127 263 M CB -0.459 32.285 32.600 0.240 0.000 1.379 263 M HN 0.688 nan 8.290 nan 0.000 0.420 264 G N 0.067 108.966 108.800 0.166 0.000 2.620 264 G HA2 0.534 4.508 3.960 0.023 0.000 0.301 264 G HA3 0.534 4.508 3.960 0.023 0.000 0.301 264 G C -0.672 174.207 174.900 -0.036 0.000 1.347 264 G CA -0.498 44.607 45.100 0.009 0.000 0.971 264 G HN 0.230 nan 8.290 nan 0.000 0.488 265 T N -1.297 113.177 114.554 -0.133 0.000 2.902 265 T HA 0.583 4.946 4.350 0.023 0.000 0.280 265 T C 0.292 174.872 174.700 -0.200 0.000 0.992 265 T CA -0.614 61.375 62.100 -0.186 0.000 1.015 265 T CB 1.066 69.780 68.868 -0.257 0.000 1.044 265 T HN 0.735 nan 8.240 nan 0.000 0.520 266 Y N 0.308 120.545 120.300 -0.106 0.000 2.296 266 Y HA 0.652 5.216 4.550 0.024 0.000 0.343 266 Y C -0.485 175.386 175.900 -0.049 0.000 1.292 266 Y CA -1.556 56.502 58.100 -0.069 0.000 1.490 266 Y CB 0.090 38.519 38.460 -0.053 0.000 1.359 266 Y HN 0.549 nan 8.280 nan 0.000 0.599 267 L N 2.176 123.500 121.223 0.169 0.000 2.322 267 L HA 0.526 4.880 4.340 0.023 0.000 0.269 267 L C -2.127 174.844 176.870 0.168 0.000 1.012 267 L CA -2.401 52.492 54.840 0.087 0.000 0.815 267 L CB 1.652 43.778 42.059 0.112 0.000 1.295 267 L HN 0.529 nan 8.230 nan 0.000 0.438 268 P HA 0.028 nan 4.420 nan 0.000 0.271 268 P C 0.848 178.205 177.300 0.096 0.000 1.233 268 P CA -0.399 62.759 63.100 0.097 0.000 0.789 268 P CB 0.717 32.441 31.700 0.040 0.000 0.951 269 V N 0.186 120.146 119.914 0.077 0.000 2.407 269 V HA -0.186 3.948 4.120 0.023 0.000 0.248 269 V C 1.776 177.903 176.094 0.056 0.000 1.055 269 V CA 1.490 63.828 62.300 0.064 0.000 1.049 269 V CB -0.845 31.004 31.823 0.043 0.000 0.662 269 V HN 0.577 nan 8.190 nan 0.000 0.455 273 R N 0.331 120.942 120.500 0.185 0.000 2.634 273 R HA 0.606 4.960 4.340 0.023 0.000 0.263 273 R C 0.538 176.943 176.300 0.176 0.000 1.060 273 R CA 0.198 56.420 56.100 0.203 0.000 0.898 273 R CB 1.827 32.279 30.300 0.252 0.000 1.253 273 R HN 1.407 nan 8.270 nan 0.000 0.461 274 G N 0.714 109.605 108.800 0.152 0.000 2.494 274 G HA2 0.255 4.229 3.960 0.023 0.000 0.270 274 G HA3 0.255 4.229 3.960 0.023 0.000 0.270 274 G C -0.637 174.326 174.900 0.106 0.000 1.423 274 G CA -0.370 44.803 45.100 0.123 0.000 1.055 274 G HN 0.495 nan 8.290 nan 0.000 0.536 275 E N -0.676 119.543 120.200 0.032 0.000 2.409 275 E HA 0.183 4.546 4.350 0.023 0.000 0.257 275 E C 0.252 176.879 176.600 0.045 0.000 1.150 275 E CA 0.178 56.538 56.400 -0.067 0.000 0.942 275 E CB 0.192 29.623 29.700 -0.448 0.000 0.979 275 E HN 0.403 nan 8.360 nan 0.000 0.447 276 N N 0.998 119.746 118.700 0.079 0.000 2.740 276 N HA -0.166 4.588 4.740 0.023 0.000 0.248 276 N C -1.305 174.386 175.510 0.301 0.000 1.062 276 N CA 0.887 54.041 53.050 0.174 0.000 0.704 276 N CB -0.707 37.868 38.487 0.147 0.000 0.968 276 N HN 0.342 nan 8.380 nan 0.000 0.547 277 E N -1.412 118.903 120.200 0.191 0.000 2.281 277 E HA 0.371 4.735 4.350 0.023 0.000 0.262 277 E C -1.626 174.773 176.600 -0.335 0.000 0.933 277 E CA -1.771 54.697 56.400 0.113 0.000 0.809 277 E CB 0.957 30.666 29.700 0.015 0.000 1.242 277 E HN -0.100 nan 8.360 nan 0.000 0.418 278 P HA -0.074 nan 4.420 nan 0.000 0.218 278 P C 1.210 177.810 177.300 -1.168 0.000 1.149 278 P CA 1.329 63.788 63.100 -1.067 0.000 0.817 278 P CB 0.208 31.179 31.700 -1.215 0.000 0.785 279 G N -0.424 107.163 108.800 -2.022 0.000 2.471 279 G HA2 -0.148 3.825 3.960 0.023 0.000 0.219 279 G HA3 -0.148 3.825 3.960 0.023 0.000 0.219 279 G C 1.547 176.049 174.900 -0.663 0.000 1.125 279 G CA 0.748 44.950 45.100 -1.497 0.000 0.775 279 G HN 0.388 nan 8.290 nan 0.000 0.548 280 G N -0.387 108.112 108.800 -0.502 0.000 2.985 280 G HA2 0.261 4.234 3.960 0.023 0.000 0.209 280 G HA3 0.261 4.234 3.960 0.023 0.000 0.209 280 G C 0.236 174.975 174.900 -0.268 0.000 1.165 280 G CA -0.049 44.863 45.100 -0.313 0.000 0.776 280 G HN 0.240 nan 8.290 nan 0.000 0.541 281 V N 3.710 123.486 119.914 -0.229 0.000 2.389 281 V HA 0.222 4.355 4.120 0.023 0.000 0.264 281 V C -1.663 174.328 176.094 -0.172 0.000 1.049 281 V CA -1.743 60.492 62.300 -0.108 0.000 0.932 281 V CB 1.351 33.200 31.823 0.043 0.000 1.011 281 V HN 0.109 nan 8.190 nan 0.000 0.475 282 P HA 0.176 nan 4.420 nan 0.000 0.272 282 P C 0.545 177.796 177.300 -0.082 0.000 1.230 282 P CA -0.265 62.620 63.100 -0.358 0.000 0.788 282 P CB 0.727 32.226 31.700 -0.336 0.000 0.949 283 F N 0.746 120.698 119.950 0.003 0.000 2.216 283 F HA -0.047 4.494 4.527 0.024 0.000 0.300 283 F C 2.624 178.497 175.800 0.123 0.000 1.085 283 F CA 1.804 59.855 58.000 0.085 0.000 1.326 283 F CB -1.999 36.996 39.000 -0.009 0.000 1.027 283 F HN 0.394 nan 8.300 nan 0.000 0.497 284 G N -1.199 107.760 108.800 0.265 0.000 2.422 284 G HA2 -0.262 3.711 3.960 0.023 0.000 0.218 284 G HA3 -0.262 3.711 3.960 0.023 0.000 0.218 284 G C 1.534 176.733 174.900 0.499 0.000 1.146 284 G CA 0.588 45.895 45.100 0.346 0.000 0.769 284 G HN 0.247 nan 8.290 nan 0.000 0.547 285 Y N 0.140 120.619 120.300 0.300 0.000 2.200 285 Y HA 0.041 4.604 4.550 0.023 0.000 0.290 285 Y C 2.672 178.611 175.900 0.066 0.000 1.137 285 Y CA -0.171 58.017 58.100 0.147 0.000 1.163 285 Y CB -0.732 37.784 38.460 0.094 0.000 0.988 285 Y HN 0.065 nan 8.280 nan 0.000 0.518 286 L N -0.104 121.284 121.223 0.275 0.000 2.042 286 L HA -0.206 4.148 4.340 0.023 0.000 0.210 286 L C 2.255 179.181 176.870 0.094 0.000 1.076 286 L CA 2.187 57.102 54.840 0.124 0.000 0.749 286 L CB -1.256 40.919 42.059 0.193 0.000 0.893 286 L HN 0.236 nan 8.230 nan 0.000 0.432 287 A N -0.504 122.414 122.820 0.163 0.000 1.933 287 A HA -0.223 4.111 4.320 0.023 0.000 0.218 287 A C 1.859 179.507 177.584 0.106 0.000 1.175 287 A CA 1.809 53.926 52.037 0.132 0.000 0.628 287 A CB -0.508 18.586 19.000 0.156 0.000 0.814 287 A HN 0.511 nan 8.150 nan 0.000 0.444 288 D N -0.303 120.160 120.400 0.104 0.000 2.234 288 D HA -0.017 4.637 4.640 0.023 0.000 0.205 288 D C 1.831 178.120 176.300 -0.019 0.000 0.962 288 D CA 0.674 54.714 54.000 0.066 0.000 0.855 288 D CB -0.204 40.622 40.800 0.043 0.000 0.951 288 D HN 0.525 nan 8.370 nan 0.000 0.500 289 I N 0.615 121.091 120.570 -0.158 0.000 2.202 289 I HA -0.179 4.004 4.170 0.023 0.000 0.242 289 I C 1.456 177.432 176.117 -0.236 0.000 1.091 289 I CA 0.266 61.259 61.300 -0.511 0.000 1.368 289 I CB -0.033 37.497 38.000 -0.784 0.000 1.058 289 I HN 0.033 nan 8.210 nan 0.000 0.410 290 C N 2.701 121.990 119.300 -0.019 0.000 2.596 290 C HA -0.050 4.424 4.460 0.023 0.000 0.414 290 C C 1.606 176.687 174.990 0.151 0.000 1.396 290 C CA -0.101 59.005 59.018 0.147 0.000 1.698 290 C CB -0.009 27.798 27.740 0.112 0.000 2.572 290 C HN 0.419 nan 8.230 nan 0.000 0.604 291 Q N 3.162 123.086 119.800 0.207 0.000 2.247 291 Q HA 0.021 4.375 4.340 0.023 0.000 0.204 291 Q C 2.069 178.144 176.000 0.125 0.000 0.872 291 Q CA 0.328 56.231 55.803 0.166 0.000 0.951 291 Q CB 0.248 29.095 28.738 0.182 0.000 1.099 291 Q HN 0.938 nan 8.270 nan 0.000 0.501 292 S N 1.209 116.980 115.700 0.118 0.000 2.400 292 S HA -0.164 4.320 4.470 0.023 0.000 0.232 292 S C 2.037 176.710 174.600 0.123 0.000 1.025 292 S CA 1.720 59.975 58.200 0.092 0.000 0.993 292 S CB 0.101 63.347 63.200 0.076 0.000 0.808 292 S HN 0.586 nan 8.310 nan 0.000 0.478 293 S N 2.251 118.044 115.700 0.156 0.000 2.400 293 S HA -0.193 4.291 4.470 0.023 0.000 0.232 293 S C 1.811 176.574 174.600 0.271 0.000 1.025 293 S CA 1.202 59.524 58.200 0.203 0.000 0.993 293 S CB -0.679 62.643 63.200 0.203 0.000 0.808 293 S HN 0.853 nan 8.310 nan 0.000 0.478 294 R N 1.134 121.765 120.500 0.219 0.000 2.300 294 R HA 0.241 4.595 4.340 0.023 0.000 0.199 294 R C 1.731 178.200 176.300 0.282 0.000 0.920 294 R CA 0.812 57.036 56.100 0.208 0.000 1.046 294 R CB -0.298 29.932 30.300 -0.117 0.000 0.984 294 R HN 0.530 nan 8.270 nan 0.000 0.493 295 V N -3.258 116.777 119.914 0.201 0.000 3.151 295 V HA 0.259 4.393 4.120 0.023 0.000 0.241 295 V C 0.677 176.717 176.094 -0.090 0.000 1.173 295 V CA 0.006 62.367 62.300 0.101 0.000 1.154 295 V CB 0.119 31.958 31.823 0.026 0.000 0.898 295 V HN 0.146 nan 8.190 nan 0.000 0.473 296 N N 0.743 119.404 118.700 -0.066 0.000 2.321 296 N HA 0.190 4.944 4.740 0.023 0.000 0.242 296 N C 1.128 176.532 175.510 -0.177 0.000 1.141 296 N CA 0.407 53.362 53.050 -0.158 0.000 0.864 296 N CB 0.162 38.626 38.487 -0.038 0.000 1.100 296 N HN 0.850 nan 8.380 nan 0.000 0.510 297 Y N 0.273 120.596 120.300 0.038 0.000 2.403 297 Y HA 0.094 4.658 4.550 0.023 0.000 0.291 297 Y C 1.554 177.468 175.900 0.023 0.000 1.143 297 Y CA 0.572 58.696 58.100 0.040 0.000 1.257 297 Y CB -0.261 38.231 38.460 0.053 0.000 0.984 297 Y HN -0.108 nan 8.280 nan 0.000 0.550 298 E N 0.474 120.518 120.200 -0.260 0.000 2.511 298 E HA -0.074 4.290 4.350 0.023 0.000 0.196 298 E C -0.266 176.306 176.600 -0.047 0.000 1.066 298 E CA 0.687 57.044 56.400 -0.073 0.000 0.871 298 E CB -0.106 29.517 29.700 -0.128 0.000 0.863 298 E HN 0.491 nan 8.360 nan 0.000 0.520 299 D N 0.000 120.372 120.400 -0.047 0.000 2.378 299 D HA 0.118 4.771 4.640 0.023 0.000 0.265 299 D C -1.990 174.295 176.300 -0.025 0.000 1.229 299 D CA -2.185 51.809 54.000 -0.011 0.000 0.914 299 D CB 1.391 42.213 40.800 0.036 0.000 1.140 299 D HN -0.209 nan 8.370 nan 0.000 0.516 300 P HA -0.107 nan 4.420 nan 0.000 0.220 300 P C 1.600 178.866 177.300 -0.057 0.000 1.148 300 P CA 0.367 63.408 63.100 -0.098 0.000 0.803 300 P CB 0.681 32.202 31.700 -0.299 0.000 0.782 301 V N 0.729 120.547 119.914 -0.160 0.000 2.358 301 V HA -0.193 3.941 4.120 0.023 0.000 0.246 301 V C 2.882 178.932 176.094 -0.074 0.000 1.047 301 V CA 1.912 64.132 62.300 -0.133 0.000 1.035 301 V CB -1.090 30.311 31.823 -0.702 0.000 0.658 301 V HN 0.057 nan 8.190 nan 0.000 0.452 302 R N 0.649 121.132 120.500 -0.027 0.000 2.081 302 R HA -0.110 4.244 4.340 0.023 0.000 0.235 302 R C 2.003 178.331 176.300 0.047 0.000 1.131 302 R CA 1.952 58.076 56.100 0.040 0.000 0.960 302 R CB -1.166 29.176 30.300 0.070 0.000 0.856 302 R HN 0.323 nan 8.270 nan 0.000 0.436 303 V N 0.224 120.173 119.914 0.060 0.000 2.295 303 V HA -0.228 3.906 4.120 0.023 0.000 0.246 303 V C 2.214 178.367 176.094 0.098 0.000 1.049 303 V CA 2.250 64.602 62.300 0.086 0.000 1.024 303 V CB -0.616 31.273 31.823 0.111 0.000 0.648 303 V HN 0.393 nan 8.190 nan 0.000 0.447 304 S N 0.044 115.818 115.700 0.124 0.000 2.368 304 S HA -0.088 4.396 4.470 0.023 0.000 0.225 304 S C 1.852 176.500 174.600 0.080 0.000 1.030 304 S CA 1.463 59.737 58.200 0.124 0.000 0.999 304 S CB -0.316 62.996 63.200 0.186 0.000 0.844 304 S HN 0.463 nan 8.310 nan 0.000 0.459 305 L N 1.096 122.359 121.223 0.068 0.000 2.313 305 L HA -0.027 4.326 4.340 0.023 0.000 0.214 305 L C 1.819 178.722 176.870 0.056 0.000 1.119 305 L CA 0.708 55.584 54.840 0.060 0.000 0.809 305 L CB -0.554 41.535 42.059 0.050 0.000 0.933 305 L HN 0.179 nan 8.230 nan 0.000 0.449 306 D N 0.023 120.449 120.400 0.043 0.000 2.144 306 D HA -0.133 4.521 4.640 0.023 0.000 0.200 306 D C 2.327 178.641 176.300 0.024 0.000 0.978 306 D CA 0.993 55.001 54.000 0.014 0.000 0.833 306 D CB 0.045 40.854 40.800 0.014 0.000 0.961 306 D HN 0.084 nan 8.370 nan 0.000 0.470 307 V N 0.647 120.593 119.914 0.054 0.000 2.358 307 V HA -0.196 3.938 4.120 0.023 0.000 0.246 307 V C 2.667 178.795 176.094 0.057 0.000 1.047 307 V CA 0.949 63.286 62.300 0.061 0.000 1.035 307 V CB -0.395 31.475 31.823 0.078 0.000 0.658 307 V HN 0.053 nan 8.190 nan 0.000 0.452 308 V N 0.444 120.394 119.914 0.060 0.000 2.332 308 V HA -0.290 3.844 4.120 0.023 0.000 0.248 308 V C 2.710 178.875 176.094 0.119 0.000 1.055 308 V CA 2.082 64.425 62.300 0.072 0.000 1.038 308 V CB -1.195 30.673 31.823 0.075 0.000 0.651 308 V HN 0.568 nan 8.190 nan 0.000 0.450 309 A N -0.197 122.691 122.820 0.113 0.000 1.902 309 A HA -0.230 4.104 4.320 0.023 0.000 0.217 309 A C 2.408 180.065 177.584 0.122 0.000 1.181 309 A CA 2.505 54.623 52.037 0.134 0.000 0.623 309 A CB -1.018 17.966 19.000 -0.028 0.000 0.818 309 A HN 0.509 nan 8.150 nan 0.000 0.443 310 T N -0.283 114.296 114.554 0.041 0.000 2.684 310 T HA -0.081 4.283 4.350 0.023 0.000 0.267 310 T C 1.922 176.625 174.700 0.006 0.000 1.036 310 T CA 1.644 63.773 62.100 0.049 0.000 1.148 310 T CB -0.611 68.266 68.868 0.015 0.000 0.863 310 T HN 0.584 nan 8.240 nan 0.000 0.436 311 G N 0.656 109.453 108.800 -0.004 0.000 2.408 311 G HA2 0.125 4.099 3.960 0.023 0.000 0.215 311 G HA3 0.125 4.099 3.960 0.023 0.000 0.215 311 G C 1.828 176.781 174.900 0.089 0.000 1.156 311 G CA 0.731 45.791 45.100 -0.068 0.000 0.793 311 G HN 0.566 nan 8.290 nan 0.000 0.535 312 A N 0.608 123.524 122.820 0.161 0.000 1.902 312 A HA 0.025 4.359 4.320 0.023 0.000 0.217 312 A C 2.298 180.001 177.584 0.197 0.000 1.181 312 A CA 1.966 54.130 52.037 0.211 0.000 0.623 312 A CB -0.392 18.775 19.000 0.277 0.000 0.818 312 A HN 0.335 nan 8.150 nan 0.000 0.443 313 M N -0.647 119.044 119.600 0.152 0.000 2.064 313 M HA -0.100 4.394 4.480 0.023 0.000 0.260 313 M C 2.139 178.412 176.300 -0.045 0.000 1.073 313 M CA 1.960 57.267 55.300 0.012 0.000 1.124 313 M CB -0.872 31.565 32.600 -0.272 0.000 1.326 313 M HN 0.380 nan 8.290 nan 0.000 0.410 314 L N 0.189 121.348 121.223 -0.107 0.000 2.017 314 L HA -0.211 4.143 4.340 0.023 0.000 0.208 314 L C 2.060 178.871 176.870 -0.098 0.000 1.073 314 L CA 2.009 56.720 54.840 -0.216 0.000 0.745 314 L CB -1.231 40.598 42.059 -0.384 0.000 0.894 314 L HN 0.299 nan 8.230 nan 0.000 0.432 315 Y N -0.521 119.792 120.300 0.021 0.000 2.286 315 Y HA -0.083 4.480 4.550 0.023 0.000 0.293 315 Y C 2.418 178.426 175.900 0.180 0.000 1.124 315 Y CA 1.077 59.248 58.100 0.119 0.000 1.178 315 Y CB -0.638 37.897 38.460 0.125 0.000 1.010 315 Y HN 0.263 nan 8.280 nan 0.000 0.536 316 D N -0.957 119.612 120.400 0.282 0.000 2.201 316 D HA -0.057 4.597 4.640 0.023 0.000 0.209 316 D C 1.973 178.420 176.300 0.245 0.000 0.961 316 D CA 0.968 55.115 54.000 0.245 0.000 0.861 316 D CB -0.164 40.755 40.800 0.197 0.000 0.997 316 D HN 0.370 nan 8.370 nan 0.000 0.486 317 Q N -0.120 119.759 119.800 0.132 0.000 2.089 317 Q HA 0.117 4.471 4.340 0.023 0.000 0.195 317 Q C 2.263 178.158 176.000 -0.176 0.000 0.963 317 Q CA 0.659 56.494 55.803 0.052 0.000 0.834 317 Q CB 0.498 29.259 28.738 0.039 0.000 0.906 317 Q HN 0.260 nan 8.270 nan 0.000 0.452 318 I N -0.529 119.855 120.570 -0.311 0.000 2.429 318 I HA -0.138 4.046 4.170 0.023 0.000 0.247 318 I C 2.129 178.147 176.117 -0.165 0.000 1.099 318 I CA 0.578 61.520 61.300 -0.597 0.000 1.422 318 I CB -0.212 37.445 38.000 -0.572 0.000 1.112 318 I HN 0.403 nan 8.210 nan 0.000 0.430 319 W N 1.920 123.072 121.300 -0.246 0.000 2.474 319 W HA -0.103 4.570 4.660 0.023 0.000 0.319 319 W C 2.096 178.616 176.519 0.003 0.000 1.165 319 W CA 0.982 58.219 57.345 -0.180 0.000 1.356 319 W CB -0.230 29.103 29.460 -0.212 0.000 1.172 319 W HN -0.029 nan 8.180 nan 0.000 0.478 320 L N 0.903 122.060 121.223 -0.110 0.000 2.156 320 L HA -0.032 4.322 4.340 0.023 0.000 0.208 320 L C 2.580 179.488 176.870 0.063 0.000 1.095 320 L CA 1.426 56.192 54.840 -0.123 0.000 0.770 320 L CB -1.295 40.826 42.059 0.103 0.000 0.914 320 L HN 0.148 nan 8.230 nan 0.000 0.439 321 G N -2.124 106.720 108.800 0.073 0.000 2.985 321 G HA2 -0.008 3.966 3.960 0.023 0.000 0.209 321 G HA3 -0.008 3.966 3.960 0.023 0.000 0.209 321 G C 1.332 176.093 174.900 -0.232 0.000 1.165 321 G CA 0.787 45.707 45.100 -0.301 0.000 0.776 321 G HN 0.303 nan 8.290 nan 0.000 0.541 322 S N -1.802 113.811 115.700 -0.146 0.000 3.952 322 S HA 0.119 4.603 4.470 0.023 0.000 0.211 322 S C 1.632 176.170 174.600 -0.103 0.000 1.098 322 S CA -0.120 58.030 58.200 -0.082 0.000 0.954 322 S CB -0.541 62.627 63.200 -0.054 0.000 1.222 322 S HN 0.131 nan 8.310 nan 0.000 0.585 323 Y N 1.819 121.973 120.300 -0.242 0.000 2.139 323 Y HA -0.042 4.522 4.550 0.023 0.000 0.282 323 Y C 2.276 177.942 175.900 -0.391 0.000 1.179 323 Y CA 1.723 59.667 58.100 -0.259 0.000 1.161 323 Y CB -0.059 38.248 38.460 -0.255 0.000 0.970 323 Y HN 0.294 nan 8.280 nan 0.000 0.511 324 M N -1.588 117.785 119.600 -0.378 0.000 2.371 324 M HA 0.142 4.636 4.480 0.023 0.000 0.246 324 M C 1.091 177.282 176.300 -0.182 0.000 1.103 324 M CA 0.675 55.751 55.300 -0.374 0.000 1.010 324 M CB -0.392 31.863 32.600 -0.575 0.000 1.457 324 M HN 0.367 nan 8.290 nan 0.000 0.486 325 S N -1.059 114.551 115.700 -0.150 0.000 5.007 325 S HA 0.707 5.190 4.470 0.023 0.000 0.151 325 S C 0.646 175.173 174.600 -0.121 0.000 1.182 325 S CA 0.348 58.479 58.200 -0.115 0.000 1.145 325 S CB 0.837 63.981 63.200 -0.094 0.000 2.073 325 S HN 0.484 nan 8.310 nan 0.000 0.745 326 G N -0.216 108.478 108.800 -0.177 0.000 2.462 326 G HA2 0.475 4.449 3.960 0.023 0.000 0.685 326 G HA3 0.475 4.449 3.960 0.023 0.000 0.685 326 G C 0.544 175.379 174.900 -0.108 0.000 1.295 326 G CA 0.245 45.285 45.100 -0.099 0.000 0.941 326 G HN 2.527 nan 8.290 nan 0.000 0.554 327 G N -2.170 106.605 108.800 -0.041 0.000 2.482 327 G HA2 0.142 4.116 3.960 0.023 0.000 0.214 327 G HA3 0.142 4.116 3.960 0.023 0.000 0.214 327 G C 1.126 176.030 174.900 0.007 0.000 1.271 327 G CA 0.898 45.978 45.100 -0.034 0.000 0.944 327 G HN 1.983 nan 8.290 nan 0.000 0.568 328 V N 1.953 121.879 119.914 0.019 0.000 2.324 328 V HA 0.205 4.338 4.120 0.023 0.000 0.250 328 V C 2.738 178.914 176.094 0.137 0.000 1.060 328 V CA 3.637 66.000 62.300 0.104 0.000 1.042 328 V CB -1.567 30.305 31.823 0.082 0.000 0.650 328 V HN 2.811 nan 8.190 nan 0.000 0.450 329 G N -0.626 108.117 108.800 -0.097 0.000 2.525 329 G HA2 -0.249 3.725 3.960 0.023 0.000 0.248 329 G HA3 -0.249 3.725 3.960 0.023 0.000 0.248 329 G C -0.313 174.462 174.900 -0.208 0.000 1.238 329 G CA 0.140 44.980 45.100 -0.434 0.000 0.926 329 G HN 0.288 nan 8.290 nan 0.000 0.574 330 F N 1.480 121.469 119.950 0.065 0.000 2.818 330 F HA 0.397 4.938 4.527 0.024 0.000 0.369 330 F C 2.033 177.861 175.800 0.047 0.000 1.327 330 F CA -0.015 58.062 58.000 0.128 0.000 1.211 330 F CB 0.039 39.165 39.000 0.210 0.000 1.036 330 F HN 0.416 nan 8.300 nan 0.000 0.510 331 T N -0.619 113.981 114.554 0.076 0.000 2.652 331 T HA -0.248 4.116 4.350 0.023 0.000 0.267 331 T C 1.858 176.530 174.700 -0.046 0.000 1.039 331 T CA 1.869 63.963 62.100 -0.011 0.000 1.153 331 T CB -0.057 68.789 68.868 -0.036 0.000 0.863 331 T HN 0.362 nan 8.240 nan 0.000 0.428 332 Q N -0.773 118.973 119.800 -0.090 0.000 2.389 332 Q HA 0.053 4.407 4.340 0.023 0.000 0.204 332 Q C 1.792 177.671 176.000 -0.201 0.000 0.944 332 Q CA 0.442 56.106 55.803 -0.232 0.000 0.908 332 Q CB -0.095 28.520 28.738 -0.206 0.000 1.002 332 Q HN 0.562 nan 8.270 nan 0.000 0.493 333 Y N 0.142 120.390 120.300 -0.088 0.000 2.256 333 Y HA -0.217 4.347 4.550 0.023 0.000 0.288 333 Y C 2.224 178.077 175.900 -0.079 0.000 1.155 333 Y CA 1.151 59.194 58.100 -0.095 0.000 1.203 333 Y CB -0.365 38.044 38.460 -0.085 0.000 0.980 333 Y HN 0.165 nan 8.280 nan 0.000 0.530 334 A N -0.671 122.207 122.820 0.096 0.000 1.911 334 A HA -0.083 4.251 4.320 0.023 0.000 0.212 334 A C 2.284 179.731 177.584 -0.228 0.000 1.189 334 A CA 1.525 53.601 52.037 0.066 0.000 0.639 334 A CB -1.183 17.936 19.000 0.197 0.000 0.839 334 A HN 0.432 nan 8.150 nan 0.000 0.449 335 T N -1.606 112.644 114.554 -0.507 0.000 2.929 335 T HA 0.013 4.377 4.350 0.023 0.000 0.271 335 T C 1.806 176.090 174.700 -0.694 0.000 1.085 335 T CA 1.435 62.864 62.100 -1.119 0.000 1.125 335 T CB -0.526 67.776 68.868 -0.943 0.000 0.874 335 T HN 0.541 nan 8.240 nan 0.000 0.494 336 A N 1.671 124.265 122.820 -0.377 0.000 2.024 336 A HA 0.299 4.633 4.320 0.023 0.000 0.220 336 A C 2.599 180.093 177.584 -0.151 0.000 1.164 336 A CA 1.587 53.495 52.037 -0.214 0.000 0.643 336 A CB -1.080 17.841 19.000 -0.132 0.000 0.806 336 A HN 0.795 nan 8.150 nan 0.000 0.451 337 A N -1.701 121.049 122.820 -0.115 0.000 2.251 337 A HA 0.345 4.679 4.320 0.023 0.000 0.209 337 A C 1.143 178.797 177.584 0.117 0.000 1.187 337 A CA 0.910 52.960 52.037 0.022 0.000 0.823 337 A CB -0.341 18.721 19.000 0.103 0.000 0.846 337 A HN 1.111 nan 8.150 nan 0.000 0.486 338 Y N -1.966 118.354 120.300 0.035 0.000 2.779 338 Y HA 0.400 4.964 4.550 0.023 0.000 0.251 338 Y C 0.093 176.019 175.900 0.043 0.000 1.145 338 Y CA -0.388 57.748 58.100 0.060 0.000 1.201 338 Y CB -0.651 37.891 38.460 0.137 0.000 1.281 338 Y HN 0.084 nan 8.280 nan 0.000 0.563 339 T N -3.437 111.092 114.554 -0.043 0.000 2.901 339 T HA 0.479 4.843 4.350 0.023 0.000 0.293 339 T C -0.302 174.417 174.700 0.031 0.000 1.084 339 T CA -0.149 61.951 62.100 0.000 0.000 1.008 339 T CB 1.844 70.667 68.868 -0.075 0.000 1.170 339 T HN 0.079 nan 8.240 nan 0.000 0.509 340 D N 0.689 121.121 120.400 0.053 0.000 3.077 340 D HA -0.176 4.478 4.640 0.023 0.000 0.217 340 D C 0.288 176.648 176.300 0.100 0.000 1.162 340 D CA 1.356 55.405 54.000 0.081 0.000 0.943 340 D CB -1.470 39.400 40.800 0.117 0.000 1.122 340 D HN 0.823 nan 8.370 nan 0.000 0.413 341 N N -1.397 117.350 118.700 0.078 0.000 2.714 341 N HA -0.243 4.511 4.740 0.023 0.000 0.250 341 N C 1.120 176.694 175.510 0.107 0.000 1.117 341 N CA 1.239 54.349 53.050 0.100 0.000 0.719 341 N CB -1.404 37.143 38.487 0.100 0.000 1.081 341 N HN 0.495 nan 8.380 nan 0.000 0.557 342 I N -0.205 120.367 120.570 0.004 0.000 2.206 342 I HA -0.173 4.011 4.170 0.023 0.000 0.239 342 I C 2.361 178.206 176.117 -0.452 0.000 1.078 342 I CA 0.595 61.769 61.300 -0.211 0.000 1.367 342 I CB -0.135 37.660 38.000 -0.341 0.000 1.078 342 I HN 0.106 nan 8.210 nan 0.000 0.413 343 L N 1.316 122.373 121.223 -0.276 0.000 2.127 343 L HA -0.248 4.106 4.340 0.023 0.000 0.211 343 L C 1.666 178.540 176.870 0.006 0.000 1.089 343 L CA 2.077 56.822 54.840 -0.160 0.000 0.757 343 L CB -0.857 41.192 42.059 -0.017 0.000 0.899 343 L HN 0.219 nan 8.230 nan 0.000 0.434 344 D N -0.726 119.716 120.400 0.070 0.000 2.097 344 D HA -0.230 4.424 4.640 0.023 0.000 0.195 344 D C 1.944 178.456 176.300 0.353 0.000 0.989 344 D CA 1.516 55.631 54.000 0.191 0.000 0.827 344 D CB -0.336 40.615 40.800 0.252 0.000 0.966 344 D HN 0.493 nan 8.370 nan 0.000 0.456 345 D N -0.403 120.183 120.400 0.312 0.000 2.104 345 D HA -0.169 4.485 4.640 0.023 0.000 0.194 345 D C 1.738 178.433 176.300 0.659 0.000 0.994 345 D CA 0.899 55.173 54.000 0.457 0.000 0.830 345 D CB -0.006 41.075 40.800 0.470 0.000 0.959 345 D HN 0.081 nan 8.370 nan 0.000 0.452 346 F N 1.230 121.416 119.950 0.393 0.000 2.146 346 F HA -0.078 4.465 4.527 0.026 0.000 0.298 346 F C 2.816 178.797 175.800 0.300 0.000 1.096 346 F CA 0.912 59.148 58.000 0.393 0.000 1.275 346 F CB -1.336 37.832 39.000 0.280 0.000 1.008 346 F HN -0.008 nan 8.300 nan 0.000 0.480 347 T N -1.218 113.579 114.554 0.405 0.000 2.896 347 T HA -0.149 4.215 4.350 0.023 0.000 0.263 347 T C 1.778 176.596 174.700 0.196 0.000 1.050 347 T CA 0.859 63.108 62.100 0.249 0.000 1.140 347 T CB -0.508 68.431 68.868 0.118 0.000 0.877 347 T HN 0.091 nan 8.240 nan 0.000 0.457 348 Y N 0.581 121.026 120.300 0.242 0.000 2.274 348 Y HA -0.002 4.561 4.550 0.022 0.000 0.290 348 Y C 2.012 177.977 175.900 0.109 0.000 1.145 348 Y CA 0.258 58.450 58.100 0.152 0.000 1.203 348 Y CB -0.661 37.871 38.460 0.120 0.000 0.984 348 Y HN 0.249 nan 8.280 nan 0.000 0.533 349 F N 0.098 120.127 119.950 0.132 0.000 2.075 349 F HA -0.114 4.424 4.527 0.019 0.000 0.297 349 F C 2.357 178.148 175.800 -0.015 0.000 1.113 349 F CA 1.898 59.824 58.000 -0.122 0.000 1.218 349 F CB -0.793 37.786 39.000 -0.702 0.000 0.984 349 F HN -0.037 nan 8.300 nan 0.000 0.472 350 G N 0.593 109.445 108.800 0.087 0.000 2.418 350 G HA2 -0.272 3.702 3.960 0.023 0.000 0.217 350 G HA3 -0.272 3.702 3.960 0.023 0.000 0.217 350 G C 1.792 176.771 174.900 0.132 0.000 1.158 350 G CA 0.792 45.936 45.100 0.073 0.000 0.771 350 G HN 0.294 nan 8.290 nan 0.000 0.545 351 K N 0.833 121.351 120.400 0.196 0.000 2.032 351 K HA -0.162 4.172 4.320 0.023 0.000 0.209 351 K C 2.355 178.974 176.600 0.031 0.000 1.048 351 K CA 1.958 58.334 56.287 0.147 0.000 0.927 351 K CB -0.244 32.256 32.500 -0.001 0.000 0.712 351 K HN 0.316 nan 8.250 nan 0.000 0.441 352 E N 0.009 120.196 120.200 -0.022 0.000 2.077 352 E HA -0.210 4.154 4.350 0.023 0.000 0.193 352 E C 2.030 178.562 176.600 -0.112 0.000 0.989 352 E CA 1.365 57.719 56.400 -0.076 0.000 0.800 352 E CB -0.675 28.969 29.700 -0.094 0.000 0.746 352 E HN 0.386 nan 8.360 nan 0.000 0.452 353 Y N 0.146 120.234 120.300 -0.354 0.000 2.114 353 Y HA -0.252 4.305 4.550 0.012 0.000 0.282 353 Y C 2.120 177.962 175.900 -0.096 0.000 1.165 353 Y CA 2.177 60.098 58.100 -0.298 0.000 1.148 353 Y CB -0.450 37.747 38.460 -0.438 0.000 0.972 353 Y HN -0.005 nan 8.280 nan 0.000 0.504 354 V N 0.246 120.182 119.914 0.036 0.000 2.379 354 V HA -0.256 3.878 4.120 0.023 0.000 0.245 354 V C 2.299 178.405 176.094 0.020 0.000 1.044 354 V CA 2.142 64.499 62.300 0.095 0.000 1.036 354 V CB -0.651 31.309 31.823 0.228 0.000 0.664 354 V HN 0.452 nan 8.190 nan 0.000 0.453 355 E N 0.229 120.421 120.200 -0.013 0.000 2.110 355 E HA -0.302 4.062 4.350 0.023 0.000 0.193 355 E C 1.890 178.447 176.600 -0.072 0.000 0.988 355 E CA 1.749 58.130 56.400 -0.031 0.000 0.804 355 E CB -0.117 29.557 29.700 -0.044 0.000 0.745 355 E HN 0.734 nan 8.360 nan 0.000 0.458 356 D N -0.114 120.209 120.400 -0.128 0.000 2.123 356 D HA -0.165 4.489 4.640 0.023 0.000 0.200 356 D C 2.002 178.164 176.300 -0.231 0.000 0.976 356 D CA 1.346 55.251 54.000 -0.159 0.000 0.831 356 D CB 0.030 40.728 40.800 -0.169 0.000 0.974 356 D HN 0.051 nan 8.370 nan 0.000 0.469 357 K N -1.793 118.382 120.400 -0.375 0.000 2.044 357 K HA -0.090 4.244 4.320 0.023 0.000 0.204 357 K C 1.252 177.548 176.600 -0.507 0.000 1.049 357 K CA 1.042 56.990 56.287 -0.564 0.000 0.945 357 K CB 0.002 31.924 32.500 -0.965 0.000 0.724 357 K HN 0.240 nan 8.250 nan 0.000 0.440 358 Y N -0.890 119.322 120.300 -0.146 0.000 2.607 358 Y HA 0.317 4.886 4.550 0.032 0.000 0.276 358 Y C 0.593 176.456 175.900 -0.061 0.000 1.117 358 Y CA 0.270 58.321 58.100 -0.082 0.000 1.273 358 Y CB 1.088 39.513 38.460 -0.058 0.000 1.282 358 Y HN 0.216 nan 8.280 nan 0.000 0.514 359 G N 1.258 110.115 108.800 0.094 0.000 2.777 359 G HA2 -0.198 3.776 3.960 0.023 0.000 0.686 359 G HA3 -0.198 3.776 3.960 0.023 0.000 0.686 359 G C -0.735 174.203 174.900 0.064 0.000 1.177 359 G CA -0.824 44.305 45.100 0.049 0.000 0.775 359 G HN 0.193 nan 8.290 nan 0.000 0.613 360 L N 1.205 122.443 121.223 0.024 0.000 2.559 360 L HA 0.190 4.544 4.340 0.023 0.000 0.274 360 L C 1.924 178.805 176.870 0.018 0.000 1.205 360 L CA 0.511 55.362 54.840 0.018 0.000 0.907 360 L CB 0.227 42.267 42.059 -0.031 0.000 1.153 360 L HN 1.267 nan 8.230 nan 0.000 0.490 361 C N 1.183 120.494 119.300 0.019 0.000 4.497 361 C HA -0.160 4.314 4.460 0.023 0.000 0.268 361 C C 1.718 176.701 174.990 -0.011 0.000 1.343 361 C CA 0.988 60.005 59.018 -0.003 0.000 1.742 361 C CB -2.297 25.441 27.740 -0.003 0.000 1.450 361 C HN 0.982 nan 8.230 nan 0.000 0.733 362 E N 0.333 120.534 120.200 0.001 0.000 2.415 362 E HA 0.317 4.681 4.350 0.023 0.000 0.197 362 E C 1.167 177.757 176.600 -0.015 0.000 1.007 362 E CA 0.616 57.024 56.400 0.014 0.000 0.890 362 E CB 0.192 29.924 29.700 0.054 0.000 0.891 362 E HN 0.776 nan 8.360 nan 0.000 0.496 363 A N 3.042 125.777 122.820 -0.141 0.000 2.445 363 A HA 0.225 4.559 4.320 0.023 0.000 0.242 363 A C -2.321 175.146 177.584 -0.195 0.000 1.075 363 A CA -1.133 50.693 52.037 -0.351 0.000 0.777 363 A CB -0.211 18.215 19.000 -0.958 0.000 1.013 363 A HN -0.142 nan 8.150 nan 0.000 0.493 364 P HA 0.014 nan 4.420 nan 0.000 0.266 364 P C -0.387 176.857 177.300 -0.094 0.000 1.195 364 P CA 0.120 63.177 63.100 -0.072 0.000 0.768 364 P CB 0.284 31.966 31.700 -0.029 0.000 0.838 365 N N 3.049 121.712 118.700 -0.062 0.000 2.968 365 N HA 0.071 4.824 4.740 0.023 0.000 0.271 365 N C -0.676 174.806 175.510 -0.046 0.000 1.174 365 N CA -0.166 52.854 53.050 -0.049 0.000 1.096 365 N CB -1.058 37.409 38.487 -0.033 0.000 1.403 365 N HN 0.377 nan 8.380 nan 0.000 0.522 366 N N 0.899 119.571 118.700 -0.046 0.000 3.039 366 N HA 0.153 4.907 4.740 0.023 0.000 0.257 366 N C 0.203 175.702 175.510 -0.019 0.000 1.497 366 N CA -0.729 52.290 53.050 -0.052 0.000 0.861 366 N CB 0.199 38.655 38.487 -0.051 0.000 1.479 366 N HN -0.026 nan 8.380 nan 0.000 0.547 367 M N 0.184 119.769 119.600 -0.025 0.000 2.296 367 M HA 0.086 4.580 4.480 0.023 0.000 0.265 367 M C 0.292 176.617 176.300 0.042 0.000 1.064 367 M CA 1.589 56.904 55.300 0.025 0.000 1.109 367 M CB -0.789 31.819 32.600 0.013 0.000 1.396 367 M HN 0.566 nan 8.290 nan 0.000 0.430 368 D N -0.775 119.644 120.400 0.032 0.000 2.117 368 D HA -0.134 4.520 4.640 0.023 0.000 0.197 368 D C 1.807 178.150 176.300 0.073 0.000 0.987 368 D CA 1.932 55.966 54.000 0.057 0.000 0.829 368 D CB -0.457 40.378 40.800 0.058 0.000 0.961 368 D HN 0.365 nan 8.370 nan 0.000 0.460 369 T N 0.581 115.154 114.554 0.030 0.000 2.777 369 T HA -0.071 4.293 4.350 0.023 0.000 0.266 369 T C 2.283 177.005 174.700 0.037 0.000 1.040 369 T CA 0.556 62.654 62.100 -0.003 0.000 1.141 369 T CB -0.254 68.518 68.868 -0.159 0.000 0.868 369 T HN -0.036 nan 8.240 nan 0.000 0.444 370 V N 1.780 121.720 119.914 0.043 0.000 2.255 370 V HA -0.170 3.964 4.120 0.023 0.000 0.247 370 V C 2.503 178.636 176.094 0.065 0.000 1.051 370 V CA 1.642 63.980 62.300 0.064 0.000 1.018 370 V CB -0.758 31.127 31.823 0.104 0.000 0.641 370 V HN 0.438 nan 8.190 nan 0.000 0.445 371 L N 0.123 121.390 121.223 0.074 0.000 2.042 371 L HA -0.207 4.147 4.340 0.023 0.000 0.210 371 L C 2.439 179.349 176.870 0.067 0.000 1.076 371 L CA 2.051 56.930 54.840 0.065 0.000 0.749 371 L CB -0.725 41.378 42.059 0.073 0.000 0.893 371 L HN 0.437 nan 8.230 nan 0.000 0.432 372 D N -0.047 120.425 120.400 0.120 0.000 2.077 372 D HA -0.139 4.515 4.640 0.023 0.000 0.196 372 D C 2.090 178.492 176.300 0.170 0.000 0.986 372 D CA 1.449 55.556 54.000 0.178 0.000 0.829 372 D CB -0.005 40.971 40.800 0.294 0.000 0.983 372 D HN 0.020 nan 8.370 nan 0.000 0.453 373 V N 0.913 120.953 119.914 0.209 0.000 2.323 373 V HA -0.078 4.056 4.120 0.023 0.000 0.244 373 V C 2.645 178.760 176.094 0.034 0.000 1.041 373 V CA 1.744 64.165 62.300 0.203 0.000 1.025 373 V CB -0.937 31.020 31.823 0.223 0.000 0.656 373 V HN 0.346 nan 8.190 nan 0.000 0.451 374 A N -0.334 122.489 122.820 0.004 0.000 1.969 374 A HA -0.178 4.156 4.320 0.023 0.000 0.218 374 A C 2.375 179.859 177.584 -0.166 0.000 1.169 374 A CA 2.280 54.282 52.037 -0.058 0.000 0.635 374 A CB -0.813 18.161 19.000 -0.044 0.000 0.810 374 A HN 0.497 nan 8.150 nan 0.000 0.445 375 T N -0.493 113.940 114.554 -0.203 0.000 2.737 375 T HA -0.110 4.254 4.350 0.023 0.000 0.265 375 T C 1.912 176.293 174.700 -0.531 0.000 1.038 375 T CA 1.656 63.468 62.100 -0.480 0.000 1.144 375 T CB -0.187 68.480 68.868 -0.335 0.000 0.866 375 T HN 0.634 nan 8.240 nan 0.000 0.434 376 E N 0.895 120.941 120.200 -0.257 0.000 2.085 376 E HA -0.101 4.263 4.350 0.023 0.000 0.194 376 E C 2.023 178.575 176.600 -0.080 0.000 0.994 376 E CA 1.024 57.312 56.400 -0.187 0.000 0.801 376 E CB -0.451 28.950 29.700 -0.498 0.000 0.743 376 E HN 0.263 nan 8.360 nan 0.000 0.453 377 V N 0.085 119.961 119.914 -0.064 0.000 2.719 377 V HA -0.162 3.972 4.120 0.023 0.000 0.252 377 V C 2.197 178.266 176.094 -0.042 0.000 1.065 377 V CA 1.887 64.236 62.300 0.081 0.000 1.086 377 V CB -0.575 31.311 31.823 0.106 0.000 0.700 377 V HN 0.333 nan 8.190 nan 0.000 0.467 378 T N 0.478 114.933 114.554 -0.164 0.000 2.746 378 T HA -0.127 4.237 4.350 0.023 0.000 0.267 378 T C 1.684 176.306 174.700 -0.131 0.000 1.039 378 T CA 1.603 63.578 62.100 -0.208 0.000 1.142 378 T CB -0.329 68.351 68.868 -0.313 0.000 0.866 378 T HN 0.337 nan 8.240 nan 0.000 0.444 379 F N 0.200 120.067 119.950 -0.139 0.000 2.259 379 F HA 0.124 4.660 4.527 0.015 0.000 0.298 379 F C 2.103 177.761 175.800 -0.237 0.000 1.088 379 F CA -0.543 57.355 58.000 -0.171 0.000 1.358 379 F CB -1.233 37.704 39.000 -0.105 0.000 1.040 379 F HN 0.188 nan 8.300 nan 0.000 0.505 380 Y N 0.770 120.936 120.300 -0.223 0.000 2.097 380 Y HA -0.128 4.435 4.550 0.022 0.000 0.282 380 Y C 2.553 178.083 175.900 -0.616 0.000 1.152 380 Y CA 1.838 59.614 58.100 -0.540 0.000 1.136 380 Y CB -0.871 36.945 38.460 -1.074 0.000 0.975 380 Y HN 0.010 nan 8.280 nan 0.000 0.498 381 G N 0.286 108.676 108.800 -0.683 0.000 2.421 381 G HA2 -0.230 3.744 3.960 0.023 0.000 0.216 381 G HA3 -0.230 3.744 3.960 0.023 0.000 0.216 381 G C 1.681 176.106 174.900 -0.792 0.000 1.171 381 G CA 1.191 45.443 45.100 -1.414 0.000 0.775 381 G HN 0.457 nan 8.290 nan 0.000 0.543 382 L N 0.287 121.296 121.223 -0.357 0.000 2.042 382 L HA -0.090 4.264 4.340 0.023 0.000 0.210 382 L C 2.741 179.555 176.870 -0.093 0.000 1.076 382 L CA 1.688 56.456 54.840 -0.122 0.000 0.749 382 L CB -0.400 41.518 42.059 -0.234 0.000 0.893 382 L HN 0.372 nan 8.230 nan 0.000 0.432 383 E N -0.387 119.674 120.200 -0.231 0.000 2.268 383 E HA -0.218 4.146 4.350 0.023 0.000 0.195 383 E C 2.128 178.596 176.600 -0.219 0.000 0.995 383 E CA 0.608 56.891 56.400 -0.195 0.000 0.836 383 E CB 0.210 29.772 29.700 -0.230 0.000 0.763 383 E HN 0.438 nan 8.360 nan 0.000 0.491 384 Q N -0.372 119.204 119.800 -0.374 0.000 2.119 384 Q HA -0.170 4.184 4.340 0.023 0.000 0.201 384 Q C 1.788 177.737 176.000 -0.085 0.000 0.972 384 Q CA 1.258 56.956 55.803 -0.174 0.000 0.847 384 Q CB -0.586 28.009 28.738 -0.238 0.000 0.903 384 Q HN 0.500 nan 8.270 nan 0.000 0.433 385 Y N 1.364 121.661 120.300 -0.005 0.000 2.274 385 Y HA -0.122 4.441 4.550 0.023 0.000 0.290 385 Y C 2.107 178.006 175.900 -0.001 0.000 1.145 385 Y CA 1.028 59.138 58.100 0.016 0.000 1.203 385 Y CB -0.115 38.362 38.460 0.027 0.000 0.984 385 Y HN 0.250 nan 8.280 nan 0.000 0.533 386 E N -0.299 119.967 120.200 0.109 0.000 2.170 386 E HA -0.113 4.250 4.350 0.023 0.000 0.191 386 E C 1.734 178.303 176.600 -0.051 0.000 0.981 386 E CA 0.761 57.175 56.400 0.022 0.000 0.830 386 E CB -0.017 29.692 29.700 0.016 0.000 0.775 386 E HN 0.573 nan 8.360 nan 0.000 0.470 387 E N -0.231 119.904 120.200 -0.108 0.000 2.299 387 E HA -0.049 4.315 4.350 0.023 0.000 0.193 387 E C -0.321 176.006 176.600 -0.456 0.000 0.998 387 E CA 0.515 56.728 56.400 -0.311 0.000 0.851 387 E CB 0.339 29.793 29.700 -0.409 0.000 0.795 387 E HN 0.219 nan 8.360 nan 0.000 0.492 388 Y N -0.217 120.095 120.300 0.019 0.000 2.646 388 Y HA 0.231 4.794 4.550 0.022 0.000 0.334 388 Y C -2.010 173.906 175.900 0.027 0.000 1.004 388 Y CA -2.540 55.587 58.100 0.045 0.000 1.301 388 Y CB 1.464 39.976 38.460 0.086 0.000 1.093 388 Y HN -0.035 nan 8.280 nan 0.000 0.530 389 P HA -0.216 nan 4.420 nan 0.000 0.218 389 P C 1.374 178.697 177.300 0.039 0.000 1.148 389 P CA 1.965 65.091 63.100 0.044 0.000 0.822 389 P CB 0.456 32.144 31.700 -0.021 0.000 0.784 390 A N -0.855 122.005 122.820 0.066 0.000 1.930 390 A HA -0.162 4.172 4.320 0.023 0.000 0.217 390 A C 2.082 179.796 177.584 0.217 0.000 1.175 390 A CA 1.259 53.325 52.037 0.048 0.000 0.627 390 A CB -1.547 17.578 19.000 0.208 0.000 0.815 390 A HN 0.156 nan 8.150 nan 0.000 0.443 391 L N -0.847 120.487 121.223 0.185 0.000 2.056 391 L HA -0.064 4.290 4.340 0.023 0.000 0.207 391 L C 2.215 179.235 176.870 0.251 0.000 1.078 391 L CA 1.794 56.696 54.840 0.104 0.000 0.749 391 L CB -0.528 41.437 42.059 -0.157 0.000 0.901 391 L HN 0.347 nan 8.230 nan 0.000 0.433 392 L N -0.154 121.231 121.223 0.271 0.000 2.046 392 L HA -0.211 4.143 4.340 0.023 0.000 0.208 392 L C 2.451 179.414 176.870 0.155 0.000 1.077 392 L CA 2.120 57.087 54.840 0.211 0.000 0.747 392 L CB -0.738 41.397 42.059 0.126 0.000 0.896 392 L HN 0.546 nan 8.230 nan 0.000 0.432 393 E N -1.308 118.981 120.200 0.148 0.000 2.274 393 E HA -0.228 4.136 4.350 0.023 0.000 0.194 393 E C 1.683 178.495 176.600 0.353 0.000 0.996 393 E CA 0.882 57.388 56.400 0.177 0.000 0.840 393 E CB -0.025 29.680 29.700 0.007 0.000 0.772 393 E HN 0.624 nan 8.360 nan 0.000 0.491 394 D N 0.647 121.265 120.400 0.364 0.000 2.084 394 D HA -0.124 4.530 4.640 0.023 0.000 0.199 394 D C 0.479 176.967 176.300 0.314 0.000 0.981 394 D CA 1.032 55.259 54.000 0.378 0.000 0.841 394 D CB 0.056 41.036 40.800 0.300 0.000 0.997 394 D HN 0.119 nan 8.370 nan 0.000 0.454 395 Q N 0.593 120.505 119.800 0.187 0.000 3.006 395 Q HA 0.133 4.487 4.340 0.023 0.000 0.260 395 Q C 0.381 176.327 176.000 -0.090 0.000 1.356 395 Q CA -0.396 55.400 55.803 -0.012 0.000 1.070 395 Q CB -0.137 28.634 28.738 0.055 0.000 1.507 395 Q HN 0.466 nan 8.270 nan 0.000 0.568 396 F N -1.190 118.768 119.950 0.015 0.000 2.325 396 F HA 0.179 4.721 4.527 0.023 0.000 0.299 396 F C 1.033 176.804 175.800 -0.049 0.000 1.090 396 F CA -0.355 57.634 58.000 -0.017 0.000 1.392 396 F CB -0.194 38.811 39.000 0.009 0.000 1.053 396 F HN 0.103 nan 8.300 nan 0.000 0.521 397 G N 0.274 108.841 108.800 -0.388 0.000 2.356 397 G HA2 0.408 4.382 3.960 0.023 0.000 0.298 397 G HA3 0.408 4.382 3.960 0.023 0.000 0.298 397 G C 0.996 175.810 174.900 -0.143 0.000 1.145 397 G CA -0.251 44.749 45.100 -0.166 0.000 0.850 397 G HN 0.387 nan 8.290 nan 0.000 0.487 398 G N 1.618 110.368 108.800 -0.083 0.000 2.469 398 G HA2 -0.142 3.832 3.960 0.023 0.000 0.220 398 G HA3 -0.142 3.832 3.960 0.023 0.000 0.220 398 G C 1.309 176.037 174.900 -0.286 0.000 1.136 398 G CA 1.170 46.179 45.100 -0.152 0.000 0.759 398 G HN 0.667 nan 8.290 nan 0.000 0.562 402 A N 1.718 124.481 122.820 -0.095 0.000 1.877 402 A HA 0.022 4.356 4.320 0.023 0.000 0.216 402 A C 2.233 179.671 177.584 -0.243 0.000 1.186 402 A CA 2.099 53.991 52.037 -0.242 0.000 0.620 402 A CB -0.532 18.064 19.000 -0.674 0.000 0.822 402 A HN 0.366 nan 8.150 nan 0.000 0.443 403 A N -0.739 121.980 122.820 -0.169 0.000 1.898 403 A HA 0.039 4.373 4.320 0.023 0.000 0.216 403 A C 2.249 179.845 177.584 0.019 0.000 1.181 403 A CA 1.752 53.758 52.037 -0.052 0.000 0.620 403 A CB -0.869 18.180 19.000 0.081 0.000 0.819 403 A HN 0.364 nan 8.150 nan 0.000 0.442 404 V N -0.503 119.450 119.914 0.066 0.000 2.307 404 V HA -0.202 3.932 4.120 0.023 0.000 0.245 404 V C 2.586 178.818 176.094 0.230 0.000 1.045 404 V CA 1.938 64.322 62.300 0.139 0.000 1.024 404 V CB -0.674 31.229 31.823 0.133 0.000 0.651 404 V HN 0.359 nan 8.190 nan 0.000 0.449 405 V N 0.313 120.376 119.914 0.249 0.000 2.343 405 V HA -0.235 3.899 4.120 0.023 0.000 0.247 405 V C 2.648 178.751 176.094 0.016 0.000 1.051 405 V CA 2.083 64.507 62.300 0.208 0.000 1.036 405 V CB -1.024 30.872 31.823 0.120 0.000 0.654 405 V HN 0.559 nan 8.190 nan 0.000 0.451 406 A N -0.377 122.321 122.820 -0.204 0.000 2.014 406 A HA 0.055 4.389 4.320 0.023 0.000 0.218 406 A C 2.371 179.925 177.584 -0.051 0.000 1.163 406 A CA 1.615 53.391 52.037 -0.434 0.000 0.652 406 A CB -0.542 17.630 19.000 -1.381 0.000 0.808 406 A HN 0.538 nan 8.150 nan 0.000 0.449 407 A N 0.126 123.049 122.820 0.171 0.000 1.873 407 A HA 0.178 4.512 4.320 0.023 0.000 0.215 407 A C 2.492 180.167 177.584 0.151 0.000 1.186 407 A CA 1.927 54.159 52.037 0.325 0.000 0.616 407 A CB -0.997 18.158 19.000 0.258 0.000 0.823 407 A HN 0.993 nan 8.150 nan 0.000 0.442 408 A N -0.165 122.751 122.820 0.160 0.000 1.933 408 A HA 0.159 4.493 4.320 0.023 0.000 0.218 408 A C 2.486 180.119 177.584 0.083 0.000 1.175 408 A CA 2.101 54.233 52.037 0.159 0.000 0.628 408 A CB -0.953 18.240 19.000 0.321 0.000 0.814 408 A HN 1.026 nan 8.150 nan 0.000 0.444 409 A N -0.596 122.258 122.820 0.056 0.000 1.898 409 A HA 0.166 4.499 4.320 0.023 0.000 0.216 409 A C 2.384 179.962 177.584 -0.011 0.000 1.181 409 A CA 1.877 53.918 52.037 0.006 0.000 0.620 409 A CB -1.265 17.703 19.000 -0.053 0.000 0.819 409 A HN 0.676 nan 8.150 nan 0.000 0.442 410 G N -1.095 107.720 108.800 0.026 0.000 2.394 410 G HA2 -0.186 3.788 3.960 0.023 0.000 0.215 410 G HA3 -0.186 3.788 3.960 0.023 0.000 0.215 410 G C 1.585 176.408 174.900 -0.128 0.000 1.165 410 G CA 1.195 46.302 45.100 0.012 0.000 0.784 410 G HN 0.501 nan 8.290 nan 0.000 0.535 411 C N 0.817 119.995 119.300 -0.203 0.000 2.413 411 C HA -0.025 4.449 4.460 0.023 0.000 0.276 411 C C 3.405 177.885 174.990 -0.850 0.000 1.236 411 C CA 1.416 60.114 59.018 -0.533 0.000 1.735 411 C CB -0.815 26.622 27.740 -0.505 0.000 2.031 411 C HN 0.399 nan 8.230 nan 0.000 0.474 412 S N 0.150 115.600 115.700 -0.417 0.000 2.383 412 S HA -0.151 4.332 4.470 0.023 0.000 0.227 412 S C 1.866 176.433 174.600 -0.056 0.000 1.026 412 S CA 1.828 59.945 58.200 -0.140 0.000 0.981 412 S CB -0.503 62.751 63.200 0.089 0.000 0.818 412 S HN 0.713 nan 8.310 nan 0.000 0.472 413 T N 2.286 116.795 114.554 -0.075 0.000 2.746 413 T HA -0.038 4.326 4.350 0.023 0.000 0.267 413 T C 2.081 176.741 174.700 -0.068 0.000 1.039 413 T CA 1.261 63.340 62.100 -0.036 0.000 1.142 413 T CB -0.390 68.464 68.868 -0.024 0.000 0.866 413 T HN 0.471 nan 8.240 nan 0.000 0.444 414 A N 0.740 123.472 122.820 -0.146 0.000 2.014 414 A HA 0.103 4.437 4.320 0.023 0.000 0.218 414 A C 1.799 179.369 177.584 -0.024 0.000 1.163 414 A CA 0.806 52.769 52.037 -0.124 0.000 0.652 414 A CB -0.765 18.121 19.000 -0.190 0.000 0.808 414 A HN 0.416 nan 8.150 nan 0.000 0.449 415 F N 0.306 120.237 119.950 -0.032 0.000 2.269 415 F HA -0.073 4.467 4.527 0.020 0.000 0.301 415 F C 2.632 178.407 175.800 -0.041 0.000 1.082 415 F CA 0.308 58.290 58.000 -0.030 0.000 1.360 415 F CB -0.946 38.051 39.000 -0.005 0.000 1.041 415 F HN 0.290 nan 8.300 nan 0.000 0.512 416 A N -0.282 122.611 122.820 0.122 0.000 1.874 416 A HA -0.101 4.233 4.320 0.023 0.000 0.214 416 A C 2.222 179.745 177.584 -0.101 0.000 1.189 416 A CA 1.938 53.956 52.037 -0.032 0.000 0.615 416 A CB -1.157 17.759 19.000 -0.140 0.000 0.830 416 A HN 0.373 nan 8.150 nan 0.000 0.443 417 T N -4.594 109.909 114.554 -0.085 0.000 3.057 417 T HA 0.376 4.740 4.350 0.023 0.000 0.254 417 T C 1.460 176.123 174.700 -0.061 0.000 1.094 417 T CA 1.165 63.211 62.100 -0.090 0.000 1.088 417 T CB -0.023 68.802 68.868 -0.072 0.000 0.934 417 T HN 1.687 nan 8.240 nan 0.000 0.497 418 G N 1.612 110.383 108.800 -0.047 0.000 2.168 418 G HA2 -0.256 3.718 3.960 0.023 0.000 0.257 418 G HA3 -0.256 3.718 3.960 0.023 0.000 0.257 418 G C -0.094 174.733 174.900 -0.123 0.000 0.997 418 G CA 0.233 45.288 45.100 -0.075 0.000 0.708 418 G HN 0.821 nan 8.290 nan 0.000 0.520 419 N N -0.622 118.017 118.700 -0.102 0.000 2.397 419 N HA 0.562 5.316 4.740 0.023 0.000 0.291 419 N C 1.021 176.482 175.510 -0.083 0.000 1.065 419 N CA 0.283 53.281 53.050 -0.087 0.000 0.884 419 N CB 1.531 40.001 38.487 -0.029 0.000 1.551 419 N HN 0.333 nan 8.380 nan 0.000 0.487 420 A N 2.780 125.543 122.820 -0.095 0.000 2.067 420 A HA -0.132 4.202 4.320 0.023 0.000 0.219 420 A C 1.778 179.305 177.584 -0.095 0.000 1.158 420 A CA 1.326 53.306 52.037 -0.094 0.000 0.661 420 A CB -0.121 18.839 19.000 -0.067 0.000 0.801 420 A HN 0.721 nan 8.150 nan 0.000 0.452 421 Q N -0.136 119.631 119.800 -0.054 0.000 2.123 421 Q HA -0.099 4.255 4.340 0.023 0.000 0.199 421 Q C 2.198 178.173 176.000 -0.041 0.000 0.966 421 Q CA 2.295 58.047 55.803 -0.085 0.000 0.845 421 Q CB -0.474 28.276 28.738 0.020 0.000 0.907 421 Q HN 0.764 nan 8.270 nan 0.000 0.439 422 T N -3.163 111.451 114.554 0.100 0.000 2.904 422 T HA -0.011 4.352 4.350 0.023 0.000 0.267 422 T C 1.878 176.597 174.700 0.031 0.000 1.059 422 T CA 0.856 63.047 62.100 0.151 0.000 1.137 422 T CB -0.809 68.138 68.868 0.132 0.000 0.879 422 T HN 0.335 nan 8.240 nan 0.000 0.467 423 G N 1.935 110.713 108.800 -0.037 0.000 2.476 423 G HA2 -0.192 3.782 3.960 0.023 0.000 0.218 423 G HA3 -0.192 3.782 3.960 0.023 0.000 0.218 423 G C 1.432 176.286 174.900 -0.077 0.000 1.164 423 G CA 1.115 46.170 45.100 -0.075 0.000 0.768 423 G HN 0.471 nan 8.290 nan 0.000 0.560 424 L N 0.862 122.000 121.223 -0.141 0.000 2.046 424 L HA 0.032 4.386 4.340 0.023 0.000 0.208 424 L C 2.894 179.695 176.870 -0.115 0.000 1.077 424 L CA 2.431 57.138 54.840 -0.222 0.000 0.747 424 L CB -0.759 41.117 42.059 -0.305 0.000 0.896 424 L HN 0.227 nan 8.230 nan 0.000 0.432 425 S N -0.688 114.991 115.700 -0.034 0.000 2.383 425 S HA -0.140 4.344 4.470 0.023 0.000 0.229 425 S C 2.000 176.667 174.600 0.112 0.000 1.030 425 S CA 1.248 59.518 58.200 0.116 0.000 1.002 425 S CB -0.769 62.553 63.200 0.203 0.000 0.829 425 S HN 0.681 nan 8.310 nan 0.000 0.467 426 G N 0.712 109.546 108.800 0.058 0.000 2.422 426 G HA2 -0.207 3.767 3.960 0.023 0.000 0.218 426 G HA3 -0.207 3.767 3.960 0.023 0.000 0.218 426 G C 1.306 176.200 174.900 -0.009 0.000 1.140 426 G CA 0.771 45.886 45.100 0.026 0.000 0.775 426 G HN 0.658 nan 8.290 nan 0.000 0.545 427 W N 1.042 122.200 121.300 -0.236 0.000 2.333 427 W HA -0.174 4.500 4.660 0.023 0.000 0.316 427 W C 1.991 178.287 176.519 -0.371 0.000 1.215 427 W CA 1.479 58.630 57.345 -0.323 0.000 1.278 427 W CB -0.690 28.514 29.460 -0.427 0.000 1.154 427 W HN 0.346 nan 8.180 nan 0.000 0.486 428 Y N 0.709 121.062 120.300 0.088 0.000 2.181 428 Y HA -0.232 4.332 4.550 0.022 0.000 0.288 428 Y C 2.592 178.091 175.900 -0.668 0.000 1.146 428 Y CA 1.694 59.629 58.100 -0.274 0.000 1.164 428 Y CB -1.678 36.705 38.460 -0.128 0.000 0.982 428 Y HN -0.059 nan 8.280 nan 0.000 0.515 429 L N -0.628 120.504 121.223 -0.151 0.000 2.046 429 L HA -0.193 4.161 4.340 0.023 0.000 0.208 429 L C 2.574 179.352 176.870 -0.154 0.000 1.077 429 L CA 2.025 56.827 54.840 -0.064 0.000 0.747 429 L CB -1.191 40.895 42.059 0.045 0.000 0.896 429 L HN 0.216 nan 8.230 nan 0.000 0.432 430 S N -1.044 114.523 115.700 -0.221 0.000 2.359 430 S HA -0.230 4.254 4.470 0.023 0.000 0.224 430 S C 2.077 176.551 174.600 -0.210 0.000 1.035 430 S CA 1.809 59.872 58.200 -0.227 0.000 1.018 430 S CB -0.203 62.824 63.200 -0.288 0.000 0.876 430 S HN 0.471 nan 8.310 nan 0.000 0.448 431 M N 0.228 119.611 119.600 -0.362 0.000 2.108 431 M HA -0.094 4.400 4.480 0.023 0.000 0.261 431 M C 2.004 178.272 176.300 -0.054 0.000 1.066 431 M CA 1.553 56.694 55.300 -0.265 0.000 1.107 431 M CB -1.777 30.637 32.600 -0.309 0.000 1.356 431 M HN 0.441 nan 8.290 nan 0.000 0.406 432 Y N 0.343 120.657 120.300 0.023 0.000 2.200 432 Y HA -0.050 4.513 4.550 0.021 0.000 0.290 432 Y C 2.466 178.390 175.900 0.040 0.000 1.137 432 Y CA 0.604 58.726 58.100 0.038 0.000 1.163 432 Y CB -1.420 37.071 38.460 0.051 0.000 0.988 432 Y HN 0.146 nan 8.280 nan 0.000 0.518 433 L N -0.976 120.352 121.223 0.175 0.000 2.017 433 L HA -0.275 4.079 4.340 0.023 0.000 0.208 433 L C 2.513 179.469 176.870 0.144 0.000 1.073 433 L CA 2.018 56.936 54.840 0.131 0.000 0.745 433 L CB -0.783 41.280 42.059 0.007 0.000 0.894 433 L HN 0.340 nan 8.230 nan 0.000 0.432 434 H N 0.383 119.433 119.070 -0.035 0.000 2.321 434 H HA -0.243 4.327 4.556 0.023 0.000 0.300 434 H C 2.461 177.760 175.328 -0.048 0.000 1.087 434 H CA 1.849 57.846 56.048 -0.086 0.000 1.319 434 H CB 0.235 29.925 29.762 -0.120 0.000 1.379 434 H HN 0.157 nan 8.280 nan 0.000 0.501 435 K N 0.201 120.682 120.400 0.135 0.000 2.032 435 K HA -0.182 4.152 4.320 0.023 0.000 0.209 435 K C 1.959 178.620 176.600 0.103 0.000 1.048 435 K CA 1.899 58.233 56.287 0.077 0.000 0.927 435 K CB 0.121 32.669 32.500 0.080 0.000 0.712 435 K HN 0.315 nan 8.250 nan 0.000 0.441 436 E N 0.580 120.845 120.200 0.108 0.000 2.152 436 E HA -0.200 4.163 4.350 0.023 0.000 0.192 436 E C 1.978 178.624 176.600 0.076 0.000 0.983 436 E CA 1.022 57.474 56.400 0.087 0.000 0.818 436 E CB -0.138 29.614 29.700 0.088 0.000 0.758 436 E HN 0.517 nan 8.360 nan 0.000 0.467 437 Q N 0.126 119.958 119.800 0.054 0.000 2.020 437 Q HA -0.145 4.209 4.340 0.023 0.000 0.202 437 Q C 1.226 177.263 176.000 0.061 0.000 0.982 437 Q CA 1.543 57.329 55.803 -0.027 0.000 0.838 437 Q CB -0.057 28.568 28.738 -0.188 0.000 0.899 437 Q HN 0.485 nan 8.270 nan 0.000 0.423 438 H N -1.408 117.714 119.070 0.087 0.000 2.586 438 H HA 0.230 4.801 4.556 0.025 0.000 0.273 438 H C 0.170 175.524 175.328 0.044 0.000 0.997 438 H CA 0.119 56.202 56.048 0.058 0.000 1.177 438 H CB 0.848 30.656 29.762 0.077 0.000 1.471 438 H HN 0.189 nan 8.280 nan 0.000 0.538 439 S N 0.662 116.454 115.700 0.154 0.000 3.587 439 S HA -0.213 4.271 4.470 0.023 0.000 0.337 439 S C 0.089 174.727 174.600 0.063 0.000 1.119 439 S CA 1.055 59.306 58.200 0.086 0.000 0.976 439 S CB -0.927 62.307 63.200 0.058 0.000 0.922 439 S HN 0.815 nan 8.310 nan 0.000 0.503 440 R N -1.925 118.621 120.500 0.076 0.000 2.741 440 R HA 0.757 5.110 4.340 0.023 0.000 0.276 440 R C -0.584 175.691 176.300 -0.042 0.000 1.028 440 R CA -0.869 55.238 56.100 0.013 0.000 0.865 440 R CB 0.171 30.483 30.300 0.019 0.000 1.268 440 R HN 0.225 nan 8.270 nan 0.000 0.475 441 L N -1.077 120.060 121.223 -0.143 0.000 3.909 441 L HA 0.682 5.036 4.340 0.023 0.000 0.209 441 L C 0.259 176.893 176.870 -0.395 0.000 1.206 441 L CA 1.001 55.623 54.840 -0.362 0.000 1.361 441 L CB 0.630 42.539 42.059 -0.251 0.000 1.798 441 L HN 0.892 nan 8.230 nan 0.000 0.767 442 G N -1.154 107.428 108.800 -0.364 0.000 3.122 442 G HA2 0.357 4.331 3.960 0.023 0.000 0.180 442 G HA3 0.357 4.331 3.960 0.023 0.000 0.180 442 G C -0.636 174.202 174.900 -0.103 0.000 1.279 442 G CA -0.013 44.835 45.100 -0.421 0.000 0.987 442 G HN 0.436 nan 8.290 nan 0.000 0.589 443 F N -0.906 119.068 119.950 0.041 0.000 2.408 443 F HA 0.607 5.149 4.527 0.024 0.000 0.303 443 F C 0.673 176.598 175.800 0.208 0.000 1.268 443 F CA -1.628 56.453 58.000 0.135 0.000 1.218 443 F CB -0.007 39.103 39.000 0.183 0.000 1.283 443 F HN 0.443 nan 8.300 nan 0.000 0.545 447 D N 2.691 123.044 120.400 -0.078 0.000 2.561 447 D HA 0.058 4.712 4.640 0.023 0.000 0.232 447 D C 1.575 177.876 176.300 0.001 0.000 1.198 447 D CA 0.188 54.204 54.000 0.027 0.000 0.826 447 D CB 0.162 41.060 40.800 0.164 0.000 0.992 447 D HN 0.617 nan 8.370 nan 0.000 0.490 448 L N 0.886 122.069 121.223 -0.067 0.000 1.970 448 L HA -0.292 4.062 4.340 0.023 0.000 0.212 448 L C 2.641 179.508 176.870 -0.006 0.000 1.071 448 L CA 2.010 56.829 54.840 -0.035 0.000 0.751 448 L CB -0.355 41.674 42.059 -0.050 0.000 0.889 448 L HN 0.071 nan 8.230 nan 0.000 0.432 449 Q N -0.756 119.032 119.800 -0.019 0.000 2.167 449 Q HA -0.230 4.124 4.340 0.023 0.000 0.202 449 Q C 1.466 177.542 176.000 0.127 0.000 0.970 449 Q CA 1.772 57.637 55.803 0.103 0.000 0.855 449 Q CB -0.729 28.142 28.738 0.222 0.000 0.911 449 Q HN 0.645 nan 8.270 nan 0.000 0.438 450 D N 1.015 121.532 120.400 0.195 0.000 2.144 450 D HA -0.131 4.523 4.640 0.023 0.000 0.199 450 D C 0.812 177.237 176.300 0.207 0.000 0.984 450 D CA 1.045 55.219 54.000 0.289 0.000 0.834 450 D CB -0.031 41.039 40.800 0.451 0.000 0.955 450 D HN 0.187 nan 8.370 nan 0.000 0.465 454 A N 1.076 123.781 122.820 -0.191 0.000 1.892 454 A HA -0.004 4.330 4.320 0.023 0.000 0.218 454 A C 2.548 180.167 177.584 0.058 0.000 1.188 454 A CA 3.161 55.259 52.037 0.101 0.000 0.631 454 A CB -0.933 18.251 19.000 0.307 0.000 0.822 454 A HN 1.077 nan 8.150 nan 0.000 0.447 455 S N -0.424 115.290 115.700 0.024 0.000 2.399 455 S HA -0.134 4.350 4.470 0.023 0.000 0.231 455 S C 1.604 176.215 174.600 0.018 0.000 1.022 455 S CA 1.477 59.699 58.200 0.036 0.000 0.983 455 S CB -0.483 62.724 63.200 0.012 0.000 0.803 455 S HN 0.617 nan 8.310 nan 0.000 0.480 456 N N 0.618 119.296 118.700 -0.037 0.000 2.353 456 N HA 0.145 4.899 4.740 0.023 0.000 0.185 456 N C 1.374 176.844 175.510 -0.066 0.000 1.098 456 N CA 0.291 53.329 53.050 -0.020 0.000 0.872 456 N CB 0.028 38.520 38.487 0.008 0.000 0.970 456 N HN 0.222 nan 8.380 nan 0.000 0.467 457 V N -0.118 119.709 119.914 -0.145 0.000 2.343 457 V HA -0.151 3.983 4.120 0.023 0.000 0.247 457 V C 0.932 176.728 176.094 -0.497 0.000 1.051 457 V CA 1.521 63.590 62.300 -0.384 0.000 1.036 457 V CB -0.390 31.031 31.823 -0.670 0.000 0.654 457 V HN 0.162 nan 8.190 nan 0.000 0.451 458 F N -0.738 119.228 119.950 0.027 0.000 2.654 458 F HA 0.385 4.926 4.527 0.023 0.000 0.303 458 F C 1.271 177.076 175.800 0.009 0.000 1.099 458 F CA -0.232 57.776 58.000 0.013 0.000 1.270 458 F CB -0.027 38.984 39.000 0.019 0.000 1.024 458 F HN -0.048 nan 8.300 nan 0.000 0.548 459 S N 1.175 116.945 115.700 0.116 0.000 2.576 459 S HA 0.187 4.671 4.470 0.023 0.000 0.272 459 S C 1.003 175.640 174.600 0.061 0.000 1.352 459 S CA -0.250 57.996 58.200 0.078 0.000 1.021 459 S CB 0.477 63.702 63.200 0.040 0.000 0.887 459 S HN 0.301 nan 8.310 nan 0.000 0.542 460 I N 0.684 121.281 120.570 0.046 0.000 4.025 460 I HA 0.447 4.631 4.170 0.023 0.000 0.336 460 I C 0.622 176.749 176.117 0.015 0.000 1.390 460 I CA -0.289 61.030 61.300 0.031 0.000 1.099 460 I CB -0.269 37.751 38.000 0.033 0.000 1.049 460 I HN 0.332 nan 8.210 nan 0.000 0.394 461 R N 1.151 121.656 120.500 0.008 0.000 2.637 461 R HA 0.432 4.785 4.340 0.023 0.000 0.269 461 R C 1.561 177.850 176.300 -0.019 0.000 1.089 461 R CA 0.232 56.327 56.100 -0.007 0.000 1.177 461 R CB 0.306 30.597 30.300 -0.015 0.000 1.091 461 R HN 0.261 nan 8.270 nan 0.000 0.540 462 G N 1.367 110.151 108.800 -0.027 0.000 2.599 462 G HA2 -0.340 3.634 3.960 0.023 0.000 0.219 462 G HA3 -0.340 3.634 3.960 0.023 0.000 0.219 462 G C 0.726 175.592 174.900 -0.056 0.000 1.193 462 G CA 1.582 46.660 45.100 -0.036 0.000 0.778 462 G HN 0.806 nan 8.290 nan 0.000 0.589 463 D N -0.492 119.855 120.400 -0.088 0.000 2.388 463 D HA 0.166 4.820 4.640 0.023 0.000 0.221 463 D C 1.422 177.594 176.300 -0.213 0.000 1.133 463 D CA 0.140 54.047 54.000 -0.155 0.000 0.831 463 D CB 0.148 40.836 40.800 -0.187 0.000 0.962 463 D HN 0.511 nan 8.370 nan 0.000 0.502 464 E N -0.049 120.093 120.200 -0.096 0.000 2.288 464 E HA 0.206 4.570 4.350 0.023 0.000 0.200 464 E C 1.114 177.780 176.600 0.110 0.000 0.880 464 E CA 0.099 56.482 56.400 -0.028 0.000 0.971 464 E CB 0.317 30.000 29.700 -0.028 0.000 0.954 464 E HN 0.215 nan 8.360 nan 0.000 0.489 465 G N 1.790 110.619 108.800 0.049 0.000 2.355 465 G HA2 0.531 4.505 3.960 0.023 0.000 0.276 465 G HA3 0.531 4.505 3.960 0.023 0.000 0.276 465 G C -0.677 174.236 174.900 0.021 0.000 1.198 465 G CA -0.061 45.060 45.100 0.035 0.000 0.876 465 G HN -0.021 nan 8.290 nan 0.000 0.478 466 L N 2.987 124.189 121.223 -0.035 0.000 2.643 466 L HA 0.244 4.598 4.340 0.023 0.000 0.257 466 L C -2.545 174.236 176.870 -0.148 0.000 0.922 466 L CA -1.633 53.156 54.840 -0.087 0.000 0.909 466 L CB 3.204 45.199 42.059 -0.107 0.000 1.424 466 L HN 0.370 nan 8.230 nan 0.000 0.422 467 P HA -0.003 nan 4.420 nan 0.000 0.266 467 P C 0.453 177.622 177.300 -0.219 0.000 1.193 467 P CA -0.232 62.781 63.100 -0.144 0.000 0.770 467 P CB 0.675 32.310 31.700 -0.109 0.000 0.836 468 L N 3.291 124.390 121.223 -0.206 0.000 2.046 468 L HA -0.205 4.148 4.340 0.023 0.000 0.208 468 L C 1.798 178.570 176.870 -0.164 0.000 1.077 468 L CA 2.047 56.759 54.840 -0.212 0.000 0.747 468 L CB -1.131 40.799 42.059 -0.215 0.000 0.896 468 L HN 0.287 nan 8.230 nan 0.000 0.432 469 E N -0.599 119.483 120.200 -0.197 0.000 2.171 469 E HA -0.228 4.136 4.350 0.023 0.000 0.197 469 E C 1.950 178.163 176.600 -0.644 0.000 0.997 469 E CA 1.536 57.760 56.400 -0.293 0.000 0.810 469 E CB -0.320 29.198 29.700 -0.303 0.000 0.738 469 E HN 0.376 nan 8.360 nan 0.000 0.467 470 L N 0.221 121.045 121.223 -0.666 0.000 2.418 470 L HA 0.059 4.413 4.340 0.023 0.000 0.218 470 L C 0.824 177.444 176.870 -0.416 0.000 1.125 470 L CA 0.705 55.153 54.840 -0.653 0.000 0.835 470 L CB -0.141 41.671 42.059 -0.411 0.000 0.953 470 L HN -0.068 nan 8.230 nan 0.000 0.454 471 R N -0.692 119.586 120.500 -0.371 0.000 2.801 471 R HA 0.472 4.826 4.340 0.023 0.000 0.273 471 R C 0.312 176.112 176.300 -0.832 0.000 1.080 471 R CA 0.564 56.415 56.100 -0.415 0.000 1.197 471 R CB 0.157 30.245 30.300 -0.354 0.000 1.109 471 R HN 0.214 nan 8.270 nan 0.000 0.535 472 G N -0.219 108.005 108.800 -0.960 0.000 2.561 472 G HA2 0.231 4.205 3.960 0.023 0.000 0.310 472 G HA3 0.231 4.205 3.960 0.023 0.000 0.310 472 G C -2.573 171.895 174.900 -0.720 0.000 1.292 472 G CA -0.792 43.386 45.100 -1.536 0.000 0.811 472 G HN 0.269 nan 8.290 nan 0.000 0.482 473 P HA 0.027 nan 4.420 nan 0.000 0.234 473 P C 0.906 178.196 177.300 -0.016 0.000 1.167 473 P CA 0.944 63.953 63.100 -0.151 0.000 0.763 473 P CB 0.266 31.774 31.700 -0.320 0.000 0.835 474 N N -1.987 116.644 118.700 -0.115 0.000 2.236 474 N HA -0.034 4.720 4.740 0.023 0.000 0.196 474 N C -0.055 175.402 175.510 -0.090 0.000 1.114 474 N CA -0.431 52.574 53.050 -0.076 0.000 0.859 474 N CB -0.409 38.001 38.487 -0.129 0.000 0.982 474 N HN -0.038 nan 8.380 nan 0.000 0.493 475 Y N 1.309 121.475 120.300 -0.223 0.000 2.717 475 Y HA 0.119 4.683 4.550 0.024 0.000 0.330 475 Y C -1.632 174.100 175.900 -0.280 0.000 1.217 475 Y CA -1.447 56.457 58.100 -0.326 0.000 1.506 475 Y CB 0.842 38.986 38.460 -0.527 0.000 1.268 475 Y HN 0.120 nan 8.280 nan 0.000 0.561 476 P HA -0.187 nan 4.420 nan 0.000 0.215 476 P C 0.557 177.677 177.300 -0.299 0.000 1.157 476 P CA 2.425 65.260 63.100 -0.443 0.000 0.868 476 P CB 0.148 31.564 31.700 -0.473 0.000 0.788 477 N N -2.055 116.399 118.700 -0.411 0.000 2.364 477 N HA -0.169 4.585 4.740 0.023 0.000 0.183 477 N C 0.724 176.366 175.510 0.219 0.000 1.022 477 N CA 0.624 53.629 53.050 -0.074 0.000 0.883 477 N CB -0.311 38.192 38.487 0.027 0.000 0.965 477 N HN 0.220 nan 8.380 nan 0.000 0.438 478 Y N -0.101 120.268 120.300 0.116 0.000 2.457 478 Y HA 0.396 4.960 4.550 0.023 0.000 0.263 478 Y C 1.689 177.626 175.900 0.062 0.000 1.164 478 Y CA -1.167 57.007 58.100 0.123 0.000 1.274 478 Y CB -0.544 38.093 38.460 0.295 0.000 1.097 478 Y HN 0.010 nan 8.280 nan 0.000 0.523 479 A N -0.694 122.225 122.820 0.165 0.000 2.167 479 A HA 0.004 4.338 4.320 0.023 0.000 0.214 479 A C 1.869 179.519 177.584 0.110 0.000 1.151 479 A CA 1.071 53.191 52.037 0.137 0.000 0.735 479 A CB -0.319 18.721 19.000 0.066 0.000 0.802 479 A HN 0.396 nan 8.150 nan 0.000 0.467 480 M N -1.565 118.074 119.600 0.066 0.000 2.638 480 M HA 0.187 4.681 4.480 0.023 0.000 0.256 480 M C -0.336 175.971 176.300 0.012 0.000 1.282 480 M CA 0.316 55.633 55.300 0.028 0.000 1.155 480 M CB 0.443 33.059 32.600 0.026 0.000 1.345 480 M HN 0.254 nan 8.290 nan 0.000 0.523 481 N N 0.097 118.794 118.700 -0.005 0.000 2.314 481 N HA 0.464 5.218 4.740 0.023 0.000 0.304 481 N C -0.581 174.911 175.510 -0.030 0.000 1.073 481 N CA -0.812 52.237 53.050 -0.002 0.000 0.822 481 N CB 2.464 40.971 38.487 0.033 0.000 1.280 481 N HN -0.069 nan 8.380 nan 0.000 0.489 482 V N -0.327 119.493 119.914 -0.157 0.000 3.503 482 V HA 0.554 4.688 4.120 0.023 0.000 0.300 482 V C 1.330 177.457 176.094 0.055 0.000 1.099 482 V CA 0.015 62.185 62.300 -0.217 0.000 1.117 482 V CB 0.056 31.408 31.823 -0.786 0.000 1.122 482 V HN 0.959 nan 8.190 nan 0.000 0.476 483 G N 0.655 109.466 108.800 0.017 0.000 2.179 483 G HA2 -0.254 3.720 3.960 0.023 0.000 0.257 483 G HA3 -0.254 3.720 3.960 0.023 0.000 0.257 483 G C 0.066 174.898 174.900 -0.114 0.000 1.010 483 G CA 1.218 46.364 45.100 0.077 0.000 0.736 483 G HN 1.361 nan 8.290 nan 0.000 0.513 484 H N -2.159 116.764 119.070 -0.246 0.000 2.276 484 H HA 0.222 4.792 4.556 0.023 0.000 0.199 484 H C 2.399 177.035 175.328 -1.154 0.000 0.867 484 H CA 0.715 56.292 56.048 -0.785 0.000 0.948 484 H CB -0.243 28.999 29.762 -0.866 0.000 1.251 484 H HN 0.322 nan 8.280 nan 0.000 0.388 485 Q N 0.507 120.019 119.800 -0.481 0.000 2.079 485 Q HA -0.043 4.311 4.340 0.023 0.000 0.200 485 Q C 2.241 178.019 176.000 -0.371 0.000 0.974 485 Q CA 1.386 56.897 55.803 -0.486 0.000 0.840 485 Q CB -0.071 28.514 28.738 -0.254 0.000 0.898 485 Q HN 0.508 nan 8.270 nan 0.000 0.430 486 G N 0.615 109.411 108.800 -0.006 0.000 2.422 486 G HA2 -0.237 3.737 3.960 0.023 0.000 0.218 486 G HA3 -0.237 3.737 3.960 0.023 0.000 0.218 486 G C 1.018 175.845 174.900 -0.123 0.000 1.140 486 G CA 0.625 45.789 45.100 0.107 0.000 0.775 486 G HN 0.239 nan 8.290 nan 0.000 0.545 487 E N 0.009 120.032 120.200 -0.295 0.000 2.106 487 E HA -0.062 4.302 4.350 0.023 0.000 0.192 487 E C 2.071 178.362 176.600 -0.514 0.000 0.984 487 E CA 0.738 56.934 56.400 -0.339 0.000 0.806 487 E CB -0.308 29.201 29.700 -0.319 0.000 0.750 487 E HN 0.512 nan 8.360 nan 0.000 0.458 488 Y N 0.427 120.199 120.300 -0.881 0.000 2.274 488 Y HA -0.042 4.521 4.550 0.022 0.000 0.290 488 Y C 2.253 177.710 175.900 -0.739 0.000 1.145 488 Y CA 0.569 58.051 58.100 -1.029 0.000 1.203 488 Y CB -1.043 36.423 38.460 -1.657 0.000 0.984 488 Y HN 0.057 nan 8.280 nan 0.000 0.533 489 A N 0.093 122.670 122.820 -0.406 0.000 1.933 489 A HA -0.104 4.230 4.320 0.023 0.000 0.218 489 A C 2.671 180.242 177.584 -0.021 0.000 1.175 489 A CA 1.748 53.755 52.037 -0.049 0.000 0.628 489 A CB -1.368 17.732 19.000 0.166 0.000 0.814 489 A HN 0.445 nan 8.150 nan 0.000 0.444 490 G N 0.100 108.861 108.800 -0.064 0.000 2.421 490 G HA2 -0.182 3.792 3.960 0.023 0.000 0.216 490 G HA3 -0.182 3.792 3.960 0.023 0.000 0.216 490 G C 1.513 176.376 174.900 -0.063 0.000 1.171 490 G CA 1.104 46.186 45.100 -0.030 0.000 0.775 490 G HN 0.483 nan 8.290 nan 0.000 0.543 491 I N 1.823 122.317 120.570 -0.126 0.000 2.286 491 I HA -0.213 3.971 4.170 0.023 0.000 0.248 491 I C 3.182 179.244 176.117 -0.092 0.000 1.115 491 I CA 1.492 62.705 61.300 -0.145 0.000 1.392 491 I CB -0.246 37.643 38.000 -0.186 0.000 1.065 491 I HN 0.363 nan 8.210 nan 0.000 0.418 492 S N 0.508 116.176 115.700 -0.054 0.000 2.382 492 S HA -0.289 4.195 4.470 0.023 0.000 0.228 492 S C 2.005 176.703 174.600 0.163 0.000 1.027 492 S CA 1.449 59.678 58.200 0.048 0.000 0.991 492 S CB -0.385 62.859 63.200 0.073 0.000 0.823 492 S HN 0.410 nan 8.310 nan 0.000 0.469 493 Q N 1.924 121.800 119.800 0.128 0.000 2.123 493 Q HA 0.225 4.579 4.340 0.023 0.000 0.199 493 Q C 2.174 178.279 176.000 0.174 0.000 0.966 493 Q CA 1.700 57.611 55.803 0.180 0.000 0.845 493 Q CB -1.051 27.769 28.738 0.136 0.000 0.907 493 Q HN 0.636 nan 8.270 nan 0.000 0.439 494 A N 1.543 124.411 122.820 0.081 0.000 1.892 494 A HA -0.142 4.191 4.320 0.023 0.000 0.218 494 A C -0.388 177.303 177.584 0.180 0.000 1.188 494 A CA 1.773 53.874 52.037 0.107 0.000 0.631 494 A CB -1.821 16.998 19.000 -0.303 0.000 0.822 494 A HN 0.554 nan 8.150 nan 0.000 0.447 495 P HA -0.131 nan 4.420 nan 0.000 0.220 495 P C 0.895 178.108 177.300 -0.145 0.000 1.152 495 P CA 1.271 64.320 63.100 -0.084 0.000 0.812 495 P CB -0.355 31.188 31.700 -0.260 0.000 0.792 496 H N 0.314 119.416 119.070 0.052 0.000 2.389 496 H HA 0.068 4.639 4.556 0.025 0.000 0.299 496 H C 2.095 177.450 175.328 0.045 0.000 1.081 496 H CA 1.574 57.631 56.048 0.015 0.000 1.345 496 H CB -0.770 28.982 29.762 -0.016 0.000 1.393 496 H HN 0.115 nan 8.280 nan 0.000 0.520 497 A N 1.289 124.226 122.820 0.195 0.000 1.898 497 A HA -0.032 4.302 4.320 0.023 0.000 0.216 497 A C 2.691 180.332 177.584 0.095 0.000 1.181 497 A CA 1.553 53.684 52.037 0.158 0.000 0.620 497 A CB -0.734 18.377 19.000 0.186 0.000 0.819 497 A HN 0.414 nan 8.150 nan 0.000 0.442 498 A N -0.308 122.574 122.820 0.103 0.000 1.972 498 A HA -0.129 4.205 4.320 0.023 0.000 0.219 498 A C 2.190 179.783 177.584 0.015 0.000 1.169 498 A CA 1.479 53.525 52.037 0.015 0.000 0.635 498 A CB -0.385 18.667 19.000 0.087 0.000 0.810 498 A HN 0.531 nan 8.150 nan 0.000 0.446 499 R N -1.651 118.862 120.500 0.022 0.000 2.236 499 R HA 0.150 4.504 4.340 0.023 0.000 0.208 499 R C 1.355 177.667 176.300 0.019 0.000 1.036 499 R CA 0.594 56.698 56.100 0.007 0.000 1.001 499 R CB -0.129 30.163 30.300 -0.013 0.000 0.896 499 R HN 0.699 nan 8.270 nan 0.000 0.464 500 G N 1.462 110.287 108.800 0.041 0.000 2.143 500 G HA2 -0.231 3.742 3.960 0.023 0.000 0.249 500 G HA3 -0.231 3.742 3.960 0.023 0.000 0.249 500 G C -0.586 174.326 174.900 0.020 0.000 0.981 500 G CA 0.085 45.210 45.100 0.043 0.000 0.665 500 G HN 0.266 nan 8.290 nan 0.000 0.528 501 D N 0.001 120.412 120.400 0.019 0.000 2.455 501 D HA 0.459 5.113 4.640 0.023 0.000 0.241 501 D C 1.507 177.771 176.300 -0.059 0.000 1.138 501 D CA 0.583 54.546 54.000 -0.061 0.000 0.877 501 D CB 1.090 41.852 40.800 -0.064 0.000 1.187 501 D HN 0.387 nan 8.370 nan 0.000 0.451 502 A N 2.561 125.330 122.820 -0.085 0.000 2.067 502 A HA 0.047 4.381 4.320 0.023 0.000 0.219 502 A C 0.516 178.168 177.584 0.113 0.000 1.158 502 A CA 0.970 53.026 52.037 0.032 0.000 0.661 502 A CB -0.485 18.537 19.000 0.038 0.000 0.801 502 A HN 0.562 nan 8.150 nan 0.000 0.452 503 F N -6.300 113.619 119.950 -0.053 0.000 2.686 503 F HA 0.604 5.145 4.527 0.024 0.000 0.311 503 F C 0.183 175.869 175.800 -0.189 0.000 1.128 503 F CA -0.966 56.981 58.000 -0.088 0.000 0.946 503 F CB 0.839 39.760 39.000 -0.132 0.000 1.336 503 F HN -0.276 nan 8.300 nan 0.000 0.457 504 V N 0.189 120.060 119.914 -0.071 0.000 2.672 504 V HA 0.041 4.175 4.120 0.023 0.000 0.242 504 V C 0.561 176.633 176.094 -0.037 0.000 1.059 504 V CA 1.641 63.702 62.300 -0.398 0.000 1.081 504 V CB 0.211 31.999 31.823 -0.059 0.000 0.752 504 V HN 0.872 nan 8.190 nan 0.000 0.472 505 F N -0.690 119.357 119.950 0.161 0.000 2.828 505 F HA 0.456 4.998 4.527 0.024 0.000 0.368 505 F C 0.103 176.010 175.800 0.179 0.000 0.877 505 F CA -0.150 57.969 58.000 0.199 0.000 1.071 505 F CB 0.705 39.818 39.000 0.187 0.000 1.006 505 F HN 0.130 nan 8.300 nan 0.000 0.598 506 N N 2.018 120.672 118.700 -0.078 0.000 2.571 506 N HA 0.271 5.024 4.740 0.023 0.000 0.286 506 N C -2.467 172.657 175.510 -0.644 0.000 1.138 506 N CA -1.600 51.138 53.050 -0.521 0.000 0.859 506 N CB 2.172 40.205 38.487 -0.757 0.000 1.414 506 N HN -0.110 nan 8.380 nan 0.000 0.529 507 P HA -0.109 nan 4.420 nan 0.000 0.218 507 P C 1.574 178.484 177.300 -0.650 0.000 1.148 507 P CA 0.850 63.326 63.100 -1.039 0.000 0.822 507 P CB 0.688 31.623 31.700 -1.274 0.000 0.784 508 L N -0.863 119.994 121.223 -0.610 0.000 2.046 508 L HA -0.120 4.233 4.340 0.023 0.000 0.208 508 L C 2.760 179.409 176.870 -0.369 0.000 1.077 508 L CA 1.230 55.790 54.840 -0.466 0.000 0.747 508 L CB -1.344 40.371 42.059 -0.573 0.000 0.896 508 L HN -0.158 nan 8.230 nan 0.000 0.432 509 V N 0.239 119.905 119.914 -0.412 0.000 2.343 509 V HA -0.285 3.849 4.120 0.023 0.000 0.247 509 V C 2.637 178.673 176.094 -0.095 0.000 1.051 509 V CA 1.983 64.123 62.300 -0.267 0.000 1.036 509 V CB -0.519 30.994 31.823 -0.516 0.000 0.654 509 V HN 0.387 nan 8.190 nan 0.000 0.451 510 K N 0.871 121.174 120.400 -0.162 0.000 2.032 510 K HA -0.158 4.176 4.320 0.023 0.000 0.209 510 K C 1.766 178.383 176.600 0.028 0.000 1.048 510 K CA 1.947 58.228 56.287 -0.010 0.000 0.927 510 K CB -0.699 31.788 32.500 -0.021 0.000 0.712 510 K HN 0.467 nan 8.250 nan 0.000 0.441 511 I N 0.467 120.891 120.570 -0.243 0.000 2.361 511 I HA -0.202 3.982 4.170 0.023 0.000 0.251 511 I C 2.167 178.145 176.117 -0.232 0.000 1.133 511 I CA 1.113 62.227 61.300 -0.309 0.000 1.413 511 I CB -0.351 37.026 38.000 -1.037 0.000 1.073 511 I HN 0.239 nan 8.210 nan 0.000 0.424 512 A N 0.189 122.876 122.820 -0.221 0.000 2.067 512 A HA -0.097 4.237 4.320 0.023 0.000 0.219 512 A C 1.674 179.027 177.584 -0.385 0.000 1.158 512 A CA 1.286 53.205 52.037 -0.197 0.000 0.661 512 A CB -0.660 18.234 19.000 -0.176 0.000 0.801 512 A HN 0.422 nan 8.150 nan 0.000 0.452 513 F N -0.777 119.108 119.950 -0.108 0.000 2.641 513 F HA 0.395 4.937 4.527 0.024 0.000 0.302 513 F C 1.434 177.225 175.800 -0.017 0.000 1.098 513 F CA 0.075 57.995 58.000 -0.134 0.000 1.318 513 F CB 0.312 39.097 39.000 -0.358 0.000 1.035 513 F HN 0.157 nan 8.300 nan 0.000 0.551 514 A N 0.694 123.569 122.820 0.091 0.000 3.091 514 A HA 0.337 4.671 4.320 0.023 0.000 0.264 514 A C -0.533 177.071 177.584 0.034 0.000 1.673 514 A CA 0.120 52.175 52.037 0.030 0.000 1.362 514 A CB -0.695 18.294 19.000 -0.017 0.000 1.137 514 A HN 0.145 nan 8.150 nan 0.000 0.617 515 D N 0.932 121.382 120.400 0.084 0.000 2.613 515 D HA 0.185 4.839 4.640 0.023 0.000 0.230 515 D C -0.335 176.039 176.300 0.123 0.000 1.365 515 D CA -0.400 53.656 54.000 0.094 0.000 0.976 515 D CB 1.242 42.107 40.800 0.109 0.000 1.415 515 D HN 0.315 nan 8.370 nan 0.000 0.589 516 D N 1.839 122.282 120.400 0.070 0.000 2.336 516 D HA 0.014 4.668 4.640 0.023 0.000 0.229 516 D C 0.447 176.780 176.300 0.056 0.000 1.061 516 D CA 0.092 54.133 54.000 0.069 0.000 0.875 516 D CB -0.279 40.535 40.800 0.023 0.000 0.904 516 D HN 0.223 nan 8.370 nan 0.000 0.525 517 N N -0.399 118.329 118.700 0.047 0.000 2.412 517 N HA 0.145 4.899 4.740 0.023 0.000 0.184 517 N C 0.238 175.880 175.510 0.219 0.000 1.101 517 N CA -0.122 52.932 53.050 0.006 0.000 0.881 517 N CB 0.220 38.508 38.487 -0.332 0.000 0.969 517 N HN 0.182 nan 8.380 nan 0.000 0.459 518 L N 0.214 121.607 121.223 0.284 0.000 2.492 518 L HA -0.061 4.293 4.340 0.023 0.000 0.280 518 L C 1.480 178.530 176.870 0.300 0.000 1.240 518 L CA -0.255 54.797 54.840 0.354 0.000 0.831 518 L CB 0.674 43.012 42.059 0.466 0.000 1.100 518 L HN -0.012 nan 8.230 nan 0.000 0.505 519 V N 1.373 121.482 119.914 0.324 0.000 2.379 519 V HA -0.145 3.989 4.120 0.023 0.000 0.243 519 V C 0.619 176.922 176.094 0.349 0.000 1.035 519 V CA 0.818 63.274 62.300 0.259 0.000 1.035 519 V CB -0.343 31.642 31.823 0.270 0.000 0.673 519 V HN 0.479 nan 8.190 nan 0.000 0.457 520 F N 1.669 121.809 119.950 0.317 0.000 2.399 520 F HA 0.345 4.885 4.527 0.023 0.000 0.342 520 F C 0.318 176.146 175.800 0.047 0.000 1.106 520 F CA -0.911 57.201 58.000 0.186 0.000 1.196 520 F CB 0.687 39.593 39.000 -0.156 0.000 1.163 520 F HN 0.015 nan 8.300 nan 0.000 0.547 521 D N 5.409 125.562 120.400 -0.411 0.000 2.441 521 D HA 0.066 4.720 4.640 0.023 0.000 0.221 521 D C 0.522 176.720 176.300 -0.169 0.000 1.156 521 D CA 0.019 53.911 54.000 -0.181 0.000 0.896 521 D CB -0.214 40.465 40.800 -0.202 0.000 1.028 521 D HN 0.443 nan 8.370 nan 0.000 0.509 522 F N 0.950 121.055 119.950 0.257 0.000 2.641 522 F HA -0.090 4.450 4.527 0.023 0.000 0.298 522 F C 2.614 178.489 175.800 0.124 0.000 1.146 522 F CA 0.991 59.166 58.000 0.291 0.000 1.464 522 F CB -0.133 39.041 39.000 0.290 0.000 1.101 522 F HN 0.378 nan 8.300 nan 0.000 0.585 523 T N -3.289 111.366 114.554 0.169 0.000 3.085 523 T HA -0.055 4.309 4.350 0.023 0.000 0.263 523 T C 0.887 175.590 174.700 0.004 0.000 1.127 523 T CA 0.693 62.840 62.100 0.077 0.000 1.103 523 T CB -0.197 68.692 68.868 0.036 0.000 0.921 523 T HN 0.096 nan 8.240 nan 0.000 0.510 524 N N 0.497 119.155 118.700 -0.070 0.000 2.716 524 N HA 0.267 5.021 4.740 0.023 0.000 0.245 524 N C 0.609 175.967 175.510 -0.254 0.000 1.495 524 N CA -0.229 52.742 53.050 -0.131 0.000 0.759 524 N CB 0.843 39.257 38.487 -0.122 0.000 1.261 524 N HN 0.028 nan 8.380 nan 0.000 0.515 525 V N 1.699 121.478 119.914 -0.225 0.000 2.287 525 V HA -0.195 3.939 4.120 0.023 0.000 0.248 525 V C 2.257 177.905 176.094 -0.743 0.000 1.053 525 V CA 1.786 63.852 62.300 -0.389 0.000 1.027 525 V CB -0.195 31.435 31.823 -0.322 0.000 0.646 525 V HN 0.506 nan 8.190 nan 0.000 0.447 526 R N -0.072 120.124 120.500 -0.507 0.000 2.115 526 R HA -0.059 4.295 4.340 0.023 0.000 0.230 526 R C 2.461 178.634 176.300 -0.212 0.000 1.111 526 R CA 1.228 57.088 56.100 -0.400 0.000 0.976 526 R CB -0.755 29.456 30.300 -0.149 0.000 0.870 526 R HN 0.596 nan 8.270 nan 0.000 0.445 527 G N 1.233 109.922 108.800 -0.184 0.000 2.422 527 G HA2 -0.248 3.726 3.960 0.023 0.000 0.218 527 G HA3 -0.248 3.726 3.960 0.023 0.000 0.218 527 G C 1.216 176.048 174.900 -0.113 0.000 1.146 527 G CA 0.481 45.514 45.100 -0.112 0.000 0.769 527 G HN 0.210 nan 8.290 nan 0.000 0.547 528 E N 0.315 120.366 120.200 -0.248 0.000 2.106 528 E HA -0.055 4.309 4.350 0.023 0.000 0.192 528 E C 2.290 178.911 176.600 0.034 0.000 0.984 528 E CA 0.431 56.690 56.400 -0.236 0.000 0.806 528 E CB -0.331 28.871 29.700 -0.830 0.000 0.750 528 E HN 0.404 nan 8.360 nan 0.000 0.458 529 F N 1.210 121.118 119.950 -0.071 0.000 2.126 529 F HA -0.120 4.420 4.527 0.023 0.000 0.299 529 F C 2.491 178.294 175.800 0.005 0.000 1.096 529 F CA 0.699 58.673 58.000 -0.043 0.000 1.255 529 F CB -1.444 37.486 39.000 -0.117 0.000 0.997 529 F HN -0.021 nan 8.300 nan 0.000 0.479 530 A N -0.151 122.782 122.820 0.188 0.000 1.902 530 A HA -0.236 4.097 4.320 0.023 0.000 0.217 530 A C 2.354 180.011 177.584 0.123 0.000 1.181 530 A CA 1.847 53.965 52.037 0.136 0.000 0.623 530 A CB -0.803 18.247 19.000 0.084 0.000 0.818 530 A HN 0.338 nan 8.150 nan 0.000 0.443 531 K N -0.619 119.848 120.400 0.112 0.000 2.063 531 K HA -0.135 4.199 4.320 0.023 0.000 0.208 531 K C 1.981 178.690 176.600 0.181 0.000 1.048 531 K CA 1.520 57.890 56.287 0.139 0.000 0.928 531 K CB -0.534 32.058 32.500 0.153 0.000 0.713 531 K HN 0.395 nan 8.250 nan 0.000 0.442 532 G N 0.138 109.041 108.800 0.172 0.000 2.408 532 G HA2 -0.217 3.757 3.960 0.023 0.000 0.217 532 G HA3 -0.217 3.757 3.960 0.023 0.000 0.217 532 G C 1.532 176.509 174.900 0.129 0.000 1.150 532 G CA 0.785 45.972 45.100 0.145 0.000 0.776 532 G HN 0.433 nan 8.290 nan 0.000 0.542 533 A N 0.494 123.391 122.820 0.129 0.000 1.969 533 A HA 0.183 4.517 4.320 0.023 0.000 0.218 533 A C 2.209 179.861 177.584 0.114 0.000 1.169 533 A CA 0.806 52.917 52.037 0.123 0.000 0.635 533 A CB -0.274 18.810 19.000 0.140 0.000 0.810 533 A HN 0.348 nan 8.150 nan 0.000 0.445 534 L N -1.650 119.641 121.223 0.113 0.000 2.599 534 L HA 0.082 4.436 4.340 0.023 0.000 0.230 534 L C 0.600 177.526 176.870 0.094 0.000 1.141 534 L CA 0.141 55.039 54.840 0.097 0.000 0.877 534 L CB -0.181 41.932 42.059 0.090 0.000 1.009 534 L HN 0.412 nan 8.230 nan 0.000 0.447 535 R N -0.379 120.187 120.500 0.111 0.000 3.656 535 R HA -0.199 4.155 4.340 0.023 0.000 0.297 535 R C 0.402 176.768 176.300 0.110 0.000 1.166 535 R CA 0.780 56.945 56.100 0.108 0.000 0.799 535 R CB -2.001 28.349 30.300 0.083 0.000 1.285 535 R HN 0.468 nan 8.270 nan 0.000 0.477 536 E N -0.368 119.910 120.200 0.130 0.000 2.526 536 E HA 0.110 4.474 4.350 0.023 0.000 0.208 536 E C -0.288 176.385 176.600 0.121 0.000 0.997 536 E CA -0.259 56.203 56.400 0.102 0.000 0.961 536 E CB 0.375 30.122 29.700 0.079 0.000 1.030 536 E HN 0.181 nan 8.360 nan 0.000 0.483 537 F N 2.269 122.241 119.950 0.037 0.000 2.394 537 F HA 0.227 4.768 4.527 0.023 0.000 0.340 537 F C -0.177 175.650 175.800 0.045 0.000 1.105 537 F CA -0.581 57.441 58.000 0.037 0.000 1.124 537 F CB 0.851 39.887 39.000 0.061 0.000 1.145 537 F HN -0.246 nan 8.300 nan 0.000 0.505 538 E N 7.773 127.690 120.200 -0.471 0.000 2.073 538 E HA 0.282 4.646 4.350 0.023 0.000 0.269 538 E C -2.352 174.120 176.600 -0.213 0.000 0.917 538 E CA -1.954 54.318 56.400 -0.213 0.000 0.757 538 E CB 0.855 30.457 29.700 -0.163 0.000 1.111 538 E HN 0.372 nan 8.360 nan 0.000 0.410 539 P HA 0.241 nan 4.420 nan 0.000 0.278 539 P C -0.796 176.583 177.300 0.132 0.000 1.266 539 P CA -0.472 62.801 63.100 0.289 0.000 0.807 539 P CB 1.129 33.031 31.700 0.337 0.000 1.094 540 A N -0.364 122.540 122.820 0.141 0.000 2.242 540 A HA 0.638 4.972 4.320 0.023 0.000 0.304 540 A C 1.143 178.769 177.584 0.070 0.000 1.100 540 A CA 0.092 52.178 52.037 0.081 0.000 0.860 540 A CB -0.441 18.608 19.000 0.081 0.000 1.168 540 A HN 0.824 nan 8.150 nan 0.000 0.503 541 G N -1.206 107.615 108.800 0.036 0.000 2.213 541 G HA2 -0.161 3.813 3.960 0.023 0.000 0.236 541 G HA3 -0.161 3.813 3.960 0.023 0.000 0.236 541 G C 0.113 175.025 174.900 0.019 0.000 0.991 541 G CA 0.318 45.431 45.100 0.022 0.000 0.629 541 G HN 0.726 nan 8.290 nan 0.000 0.517 542 E N -0.096 120.118 120.200 0.023 0.000 2.392 542 E HA 0.476 4.840 4.350 0.023 0.000 0.259 542 E C 1.061 177.659 176.600 -0.003 0.000 1.108 542 E CA -0.278 56.132 56.400 0.016 0.000 0.916 542 E CB 0.545 30.256 29.700 0.019 0.000 0.989 542 E HN 0.261 nan 8.360 nan 0.000 0.432 543 R N 0.753 121.252 120.500 -0.002 0.000 2.388 543 R HA 0.169 4.523 4.340 0.023 0.000 0.247 543 R C 1.505 177.793 176.300 -0.020 0.000 0.931 543 R CA 0.470 56.563 56.100 -0.013 0.000 1.082 543 R CB -0.143 30.156 30.300 -0.001 0.000 1.135 543 R HN 0.534 nan 8.270 nan 0.000 0.525 544 A N 0.682 123.491 122.820 -0.018 0.000 1.986 544 A HA -0.197 4.136 4.320 0.023 0.000 0.220 544 A C 1.833 179.398 177.584 -0.032 0.000 1.171 544 A CA 1.371 53.397 52.037 -0.018 0.000 0.640 544 A CB -0.366 18.626 19.000 -0.013 0.000 0.811 544 A HN 0.341 nan 8.150 nan 0.000 0.451 545 L N 0.037 121.224 121.223 -0.060 0.000 2.201 545 L HA -0.002 4.352 4.340 0.023 0.000 0.212 545 L C 1.672 178.502 176.870 -0.067 0.000 1.105 545 L CA 1.872 56.659 54.840 -0.088 0.000 0.775 545 L CB -0.279 41.667 42.059 -0.187 0.000 0.913 545 L HN 0.596 nan 8.230 nan 0.000 0.440 546 I N -3.299 117.242 120.570 -0.049 0.000 3.927 546 I HA 0.310 4.494 4.170 0.023 0.000 0.332 546 I C 0.102 176.218 176.117 -0.001 0.000 1.485 546 I CA -0.028 61.261 61.300 -0.017 0.000 1.131 546 I CB -0.501 37.495 38.000 -0.007 0.000 1.092 546 I HN 0.158 nan 8.210 nan 0.000 0.410 547 T N -1.799 112.753 114.554 -0.005 0.000 2.930 547 T HA 0.703 5.067 4.350 0.023 0.000 0.290 547 T C -2.586 172.115 174.700 0.002 0.000 1.052 547 T CA -1.542 60.559 62.100 0.001 0.000 1.017 547 T CB 1.600 70.469 68.868 0.001 0.000 1.137 547 T HN -0.118 nan 8.240 nan 0.000 0.511 548 P HA 0.497 nan 4.420 nan 0.000 0.272 548 P C -0.129 177.173 177.300 0.004 0.000 1.240 548 P CA -0.519 62.584 63.100 0.005 0.000 0.791 548 P CB -0.016 31.687 31.700 0.006 0.000 0.978 549 A N 0.000 122.823 122.820 0.004 0.000 2.254 549 A HA 0.000 4.334 4.320 0.023 0.000 0.244 549 A CA 0.000 52.039 52.037 0.004 0.000 0.836 549 A CB 0.000 19.003 19.000 0.005 0.000 0.831 549 A HN 0.000 nan 8.150 nan 0.000 0.486