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 2qf1_1_A DATA FIRST_RESID 10 DATA SEQUENCE DFSAKVIQGS LDSLPQEVRK FVEGNAQLCQ PEYIHICDGS EEEYGRLLAH DATA SEQUENCE MQEEGVIRKL KKYDNCWLAL TDPRDVARIE SKTVIITQEQ RDTVPIPKSG DATA SEQUENCE QSQLGRWMSE EDFEKAFNAR FPGCMKGRTM YVIPFSMGPL GSPLAKIGIE DATA SEQUENCE LTDSPYVVAS MRIMTRMGTS VLEALGDGEF IKCLHSVGCP LPLKKPLVNN DATA SEQUENCE WACNPELTLI AHLPDRREII SFGSGYGGNS LLGKKCFALR IASRLAKEEG DATA SEQUENCE WLAEHMLILG ITNPEGKKKY LAAAFPSACG KTNLAMMNPT LPGWKVECVG DATA SEQUENCE DDIAWMKFDA QGNLRAINPE NGFFGVAPGT SVKTNPNAIK TIQKNTIFTN DATA SEQUENCE VAETSDGGVY WEGIDEPLAP GVTITSWKNK EWRPQDEEPC AHPNSRFCTP DATA SEQUENCE ASQCPIIDPA WESPEGVPIE GIIFGGRRPA GVPLVYEALS WQHGVFVGAA DATA SEQUENCE MRSEAXXXXX XXGKVIMHDP FAMRPFFGYN FGKYLAHWLS MAHRPAAKLP DATA SEQUENCE KIFHVNWFRK DKNGKFLWPG FGENSRVLEW MFGRIEGEDS AKLTPIGYVP DATA SEQUENCE KEDALNLKGL GDVNVEELFG ISKEFWEKEV EEIDKYLEDQ VNADLPYEIE DATA SEQUENCE RELRALKQRI SQM 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.320 176.300 0.033 0.000 2.045 10 D CA 0.000 54.048 54.000 0.081 0.000 0.868 10 D CB 0.000 40.818 40.800 0.029 0.000 0.688 11 F N 1.618 121.572 119.950 0.006 0.000 2.660 11 F HA 0.115 4.862 4.527 0.365 0.000 0.302 11 F C 2.185 177.991 175.800 0.010 0.000 1.103 11 F CA 0.001 58.004 58.000 0.005 0.000 1.340 11 F CB 0.507 39.508 39.000 0.002 0.000 1.048 11 F HN 0.238 nan 8.300 nan 0.000 0.551 12 S N 0.565 116.336 115.700 0.118 0.000 2.374 12 S HA -0.306 4.382 4.470 0.362 0.000 0.227 12 S C 2.414 177.047 174.600 0.054 0.000 1.037 12 S CA 1.439 59.684 58.200 0.075 0.000 1.024 12 S CB -0.469 62.757 63.200 0.043 0.000 0.861 12 S HN 0.454 nan 8.310 nan 0.000 0.456 13 A N 0.561 123.393 122.820 0.020 0.000 2.178 13 A HA -0.032 4.505 4.320 0.362 0.000 0.218 13 A C 1.885 179.503 177.584 0.057 0.000 1.157 13 A CA 1.211 53.257 52.037 0.014 0.000 0.689 13 A CB -0.235 18.749 19.000 -0.026 0.000 0.787 13 A HN 0.436 nan 8.150 nan 0.000 0.465 14 K N -0.726 119.733 120.400 0.099 0.000 2.358 14 K HA 0.224 4.761 4.320 0.362 0.000 0.200 14 K C -0.528 176.202 176.600 0.217 0.000 1.030 14 K CA -0.142 56.259 56.287 0.190 0.000 1.097 14 K CB 0.775 33.407 32.500 0.220 0.000 0.862 14 K HN 0.230 nan 8.250 nan 0.000 0.534 15 V N 3.383 123.374 119.914 0.128 0.000 2.427 15 V HA 0.042 4.380 4.120 0.362 0.000 0.268 15 V C 1.140 177.238 176.094 0.006 0.000 1.046 15 V CA 0.091 62.431 62.300 0.067 0.000 0.970 15 V CB 0.542 32.388 31.823 0.038 0.000 1.001 15 V HN 0.257 nan 8.190 nan 0.000 0.476 16 I N 1.504 122.049 120.570 -0.043 0.000 3.783 16 I HA 0.376 4.763 4.170 0.362 0.000 0.310 16 I C 0.662 176.683 176.117 -0.160 0.000 1.274 16 I CA 0.426 61.649 61.300 -0.128 0.000 1.294 16 I CB 0.294 38.145 38.000 -0.247 0.000 1.051 16 I HN 0.631 nan 8.210 nan 0.000 0.435 17 Q N 1.278 120.944 119.800 -0.223 0.000 2.295 17 Q HA 0.526 5.084 4.340 0.362 0.000 0.268 17 Q C -0.196 175.673 176.000 -0.218 0.000 1.010 17 Q CA 0.079 55.695 55.803 -0.312 0.000 0.856 17 Q CB 2.134 30.444 28.738 -0.713 0.000 1.349 17 Q HN 0.502 nan 8.270 nan 0.000 0.412 18 G N 1.707 110.426 108.800 -0.136 0.000 2.568 18 G HA2 -0.128 4.049 3.960 0.362 0.000 0.222 18 G HA3 -0.128 4.049 3.960 0.362 0.000 0.222 18 G C -0.911 173.962 174.900 -0.045 0.000 1.321 18 G CA -0.199 44.854 45.100 -0.078 0.000 0.893 18 G HN 1.012 nan 8.290 nan 0.000 0.569 19 S N -1.719 113.966 115.700 -0.025 0.000 2.533 19 S HA 0.603 5.291 4.470 0.362 0.000 0.271 19 S C 1.141 175.744 174.600 0.004 0.000 1.143 19 S CA 0.142 58.338 58.200 -0.007 0.000 0.891 19 S CB 1.431 64.629 63.200 -0.004 0.000 1.105 19 S HN 1.056 nan 8.310 nan 0.000 0.468 20 L N 2.299 123.533 121.223 0.019 0.000 2.141 20 L HA -0.013 4.544 4.340 0.362 0.000 0.209 20 L C 1.425 178.310 176.870 0.025 0.000 1.094 20 L CA 1.120 55.977 54.840 0.028 0.000 0.763 20 L CB -0.408 41.680 42.059 0.048 0.000 0.908 20 L HN 0.637 nan 8.230 nan 0.000 0.437 21 D N -0.452 119.961 120.400 0.021 0.000 2.219 21 D HA -0.140 4.717 4.640 0.362 0.000 0.205 21 D C 2.278 178.586 176.300 0.013 0.000 0.970 21 D CA 1.434 55.446 54.000 0.018 0.000 0.851 21 D CB 0.015 40.824 40.800 0.015 0.000 0.943 21 D HN 0.299 nan 8.370 nan 0.000 0.488 22 S N -0.593 115.111 115.700 0.007 0.000 2.558 22 S HA 0.071 4.758 4.470 0.362 0.000 0.217 22 S C 0.876 175.476 174.600 0.000 0.000 0.975 22 S CA -0.257 57.945 58.200 0.002 0.000 0.912 22 S CB -0.238 62.960 63.200 -0.003 0.000 0.776 22 S HN 0.094 nan 8.310 nan 0.000 0.526 23 L N 2.349 123.574 121.223 0.003 0.000 2.397 23 L HA 0.374 4.931 4.340 0.362 0.000 0.271 23 L C -2.323 174.551 176.870 0.006 0.000 1.148 23 L CA -2.186 52.653 54.840 -0.002 0.000 0.825 23 L CB 0.003 42.065 42.059 0.005 0.000 1.117 23 L HN 0.022 nan 8.230 nan 0.000 0.456 24 P HA -0.019 nan 4.420 nan 0.000 0.269 24 P C 0.234 177.563 177.300 0.048 0.000 1.209 24 P CA -0.183 62.928 63.100 0.019 0.000 0.776 24 P CB 0.573 32.280 31.700 0.011 0.000 0.876 25 Q N 1.836 121.671 119.800 0.058 0.000 2.082 25 Q HA -0.309 4.248 4.340 0.362 0.000 0.211 25 Q C 1.306 177.372 176.000 0.109 0.000 1.002 25 Q CA 1.958 57.804 55.803 0.071 0.000 0.868 25 Q CB -0.084 28.690 28.738 0.060 0.000 0.931 25 Q HN 0.391 nan 8.270 nan 0.000 0.414 26 E N -0.559 119.732 120.200 0.152 0.000 2.208 26 E HA -0.086 4.481 4.350 0.362 0.000 0.193 26 E C 2.116 178.934 176.600 0.363 0.000 0.988 26 E CA 0.836 57.378 56.400 0.237 0.000 0.828 26 E CB -0.036 29.817 29.700 0.253 0.000 0.763 26 E HN 0.295 nan 8.360 nan 0.000 0.478 27 V N 1.380 121.428 119.914 0.223 0.000 2.379 27 V HA -0.177 4.160 4.120 0.362 0.000 0.245 27 V C 2.584 178.775 176.094 0.162 0.000 1.044 27 V CA 1.506 63.861 62.300 0.093 0.000 1.036 27 V CB -0.465 31.253 31.823 -0.176 0.000 0.664 27 V HN 0.172 nan 8.190 nan 0.000 0.453 28 R N 0.352 120.916 120.500 0.107 0.000 2.083 28 R HA -0.216 4.341 4.340 0.362 0.000 0.237 28 R C 2.450 178.815 176.300 0.107 0.000 1.137 28 R CA 1.942 58.093 56.100 0.086 0.000 0.951 28 R CB -0.224 30.116 30.300 0.066 0.000 0.851 28 R HN 0.463 nan 8.270 nan 0.000 0.434 29 K N -0.530 119.954 120.400 0.142 0.000 2.074 29 K HA -0.207 4.330 4.320 0.362 0.000 0.209 29 K C 1.955 178.668 176.600 0.188 0.000 1.048 29 K CA 1.761 58.134 56.287 0.143 0.000 0.926 29 K CB -0.352 32.233 32.500 0.143 0.000 0.713 29 K HN 0.140 nan 8.250 nan 0.000 0.444 30 F N 1.439 121.450 119.950 0.101 0.000 2.113 30 F HA -0.191 4.553 4.527 0.362 0.000 0.297 30 F C 1.905 177.739 175.800 0.057 0.000 1.103 30 F CA 1.055 59.121 58.000 0.110 0.000 1.248 30 F CB -0.490 38.650 39.000 0.233 0.000 0.999 30 F HN -0.279 nan 8.300 nan 0.000 0.475 31 V N 0.728 120.580 119.914 -0.102 0.000 2.261 31 V HA -0.290 4.047 4.120 0.362 0.000 0.246 31 V C 2.381 178.327 176.094 -0.246 0.000 1.047 31 V CA 2.393 64.549 62.300 -0.241 0.000 1.015 31 V CB -0.741 31.024 31.823 -0.096 0.000 0.642 31 V HN 0.341 nan 8.190 nan 0.000 0.446 32 E N 0.161 120.281 120.200 -0.133 0.000 2.072 32 E HA -0.114 4.454 4.350 0.362 0.000 0.191 32 E C 2.334 178.842 176.600 -0.155 0.000 0.985 32 E CA 1.117 57.428 56.400 -0.148 0.000 0.801 32 E CB -0.502 29.205 29.700 0.013 0.000 0.750 32 E HN 0.641 nan 8.360 nan 0.000 0.452 33 G N 2.018 110.779 108.800 -0.066 0.000 2.491 33 G HA2 -0.293 3.884 3.960 0.362 0.000 0.218 33 G HA3 -0.293 3.884 3.960 0.362 0.000 0.218 33 G C 1.475 176.325 174.900 -0.083 0.000 1.180 33 G CA 0.789 45.873 45.100 -0.027 0.000 0.774 33 G HN 0.149 nan 8.290 nan 0.000 0.562 34 N N 1.022 119.622 118.700 -0.167 0.000 2.331 34 N HA 0.003 4.960 4.740 0.362 0.000 0.180 34 N C 2.498 177.868 175.510 -0.234 0.000 1.019 34 N CA 0.922 53.867 53.050 -0.175 0.000 0.881 34 N CB -0.194 38.132 38.487 -0.268 0.000 0.972 34 N HN 0.323 nan 8.380 nan 0.000 0.435 35 A N 1.283 123.854 122.820 -0.415 0.000 1.902 35 A HA -0.175 4.362 4.320 0.362 0.000 0.217 35 A C 2.176 179.404 177.584 -0.593 0.000 1.181 35 A CA 1.127 52.730 52.037 -0.723 0.000 0.623 35 A CB -0.539 17.612 19.000 -1.414 0.000 0.818 35 A HN 0.213 nan 8.150 nan 0.000 0.443 36 Q N -0.775 118.818 119.800 -0.345 0.000 2.084 36 Q HA -0.186 4.371 4.340 0.362 0.000 0.202 36 Q C 2.065 178.097 176.000 0.055 0.000 0.978 36 Q CA 1.846 57.687 55.803 0.063 0.000 0.844 36 Q CB -0.227 28.581 28.738 0.117 0.000 0.898 36 Q HN 0.600 nan 8.270 nan 0.000 0.426 37 L N -0.179 121.045 121.223 0.001 0.000 2.023 37 L HA -0.115 4.442 4.340 0.362 0.000 0.205 37 L C 2.238 179.122 176.870 0.023 0.000 1.073 37 L CA 1.716 56.574 54.840 0.029 0.000 0.745 37 L CB -0.603 41.487 42.059 0.051 0.000 0.900 37 L HN 0.210 nan 8.230 nan 0.000 0.435 38 C N -0.274 119.028 119.300 0.004 0.000 2.563 38 C HA 0.158 4.835 4.460 0.362 0.000 0.268 38 C C 0.805 175.805 174.990 0.017 0.000 1.365 38 C CA -0.445 58.588 59.018 0.025 0.000 1.754 38 C CB -0.706 27.060 27.740 0.042 0.000 1.932 38 C HN 0.675 nan 8.230 nan 0.000 0.536 39 Q N -0.673 119.146 119.800 0.031 0.000 2.463 39 Q HA -0.151 4.406 4.340 0.362 0.000 0.299 39 Q C -2.348 173.691 176.000 0.065 0.000 1.353 39 Q CA 0.723 56.583 55.803 0.096 0.000 0.828 39 Q CB -1.780 27.001 28.738 0.072 0.000 1.157 39 Q HN 0.457 nan 8.270 nan 0.000 0.436 40 P HA 0.007 nan 4.420 nan 0.000 0.272 40 P C 0.783 178.092 177.300 0.014 0.000 1.230 40 P CA 0.124 63.229 63.100 0.008 0.000 0.788 40 P CB 0.793 32.480 31.700 -0.021 0.000 0.949 41 E N 1.048 121.185 120.200 -0.104 0.000 2.107 41 E HA -0.068 4.499 4.350 0.362 0.000 0.191 41 E C -0.293 176.047 176.600 -0.433 0.000 0.982 41 E CA 1.531 57.734 56.400 -0.328 0.000 0.809 41 E CB -0.122 29.281 29.700 -0.495 0.000 0.756 41 E HN 0.422 nan 8.360 nan 0.000 0.459 42 Y N -1.214 119.094 120.300 0.012 0.000 2.553 42 Y HA 0.503 5.270 4.550 0.361 0.000 0.347 42 Y C -0.565 175.310 175.900 -0.042 0.000 1.019 42 Y CA -1.251 56.845 58.100 -0.008 0.000 1.032 42 Y CB 1.564 39.995 38.460 -0.047 0.000 1.284 42 Y HN -0.200 nan 8.280 nan 0.000 0.466 43 I N 1.774 122.448 120.570 0.172 0.000 2.436 43 I HA 0.294 4.681 4.170 0.362 0.000 0.289 43 I C -1.117 175.025 176.117 0.043 0.000 1.010 43 I CA -0.580 60.753 61.300 0.055 0.000 1.098 43 I CB 1.682 39.715 38.000 0.054 0.000 1.266 43 I HN 0.644 nan 8.210 nan 0.000 0.434 44 H N 6.773 125.774 119.070 -0.116 0.000 2.762 44 H HA 0.530 5.303 4.556 0.361 0.000 0.310 44 H C -0.972 174.376 175.328 0.033 0.000 1.004 44 H CA -0.539 55.471 56.048 -0.065 0.000 1.267 44 H CB 0.987 30.663 29.762 -0.143 0.000 1.437 44 H HN 0.482 nan 8.280 nan 0.000 0.498 45 I N 5.941 126.490 120.570 -0.036 0.000 2.322 45 I HA 0.069 4.456 4.170 0.362 0.000 0.292 45 I C 0.156 176.311 176.117 0.062 0.000 1.060 45 I CA -0.468 60.856 61.300 0.041 0.000 1.309 45 I CB 0.337 38.331 38.000 -0.010 0.000 1.415 45 I HN 0.626 nan 8.210 nan 0.000 0.492 46 C N 5.287 124.729 119.300 0.238 0.000 2.653 46 C HA 0.014 4.691 4.460 0.362 0.000 0.421 46 C C 1.543 176.605 174.990 0.120 0.000 1.334 46 C CA -0.379 58.792 59.018 0.255 0.000 1.885 46 C CB -0.272 27.612 27.740 0.241 0.000 2.645 46 C HN 0.820 nan 8.230 nan 0.000 0.601 47 D N 0.058 120.521 120.400 0.105 0.000 2.389 47 D HA 0.166 5.023 4.640 0.362 0.000 0.206 47 D C 1.482 177.814 176.300 0.054 0.000 1.055 47 D CA 0.722 54.756 54.000 0.057 0.000 0.856 47 D CB -0.256 40.564 40.800 0.033 0.000 0.957 47 D HN 0.931 nan 8.370 nan 0.000 0.509 48 G N 0.519 109.361 108.800 0.069 0.000 2.162 48 G HA2 -0.295 3.882 3.960 0.362 0.000 0.260 48 G HA3 -0.295 3.882 3.960 0.362 0.000 0.260 48 G C 0.430 175.342 174.900 0.020 0.000 0.976 48 G CA 0.636 45.755 45.100 0.030 0.000 0.655 48 G HN 0.887 nan 8.290 nan 0.000 0.533 49 S N -0.697 115.033 115.700 0.050 0.000 2.593 49 S HA 0.468 5.155 4.470 0.362 0.000 0.269 49 S C 1.212 175.860 174.600 0.081 0.000 1.334 49 S CA 0.649 58.880 58.200 0.052 0.000 1.015 49 S CB 1.885 65.119 63.200 0.056 0.000 0.912 49 S HN 0.532 nan 8.310 nan 0.000 0.541 50 E N 1.073 121.322 120.200 0.081 0.000 2.110 50 E HA -0.251 4.316 4.350 0.362 0.000 0.193 50 E C 1.918 178.610 176.600 0.153 0.000 0.988 50 E CA 1.645 58.123 56.400 0.129 0.000 0.804 50 E CB -0.235 29.527 29.700 0.103 0.000 0.745 50 E HN 0.928 nan 8.360 nan 0.000 0.458 51 E N 0.560 120.824 120.200 0.107 0.000 2.072 51 E HA -0.266 4.301 4.350 0.362 0.000 0.191 51 E C 2.142 178.800 176.600 0.097 0.000 0.985 51 E CA 1.279 57.733 56.400 0.091 0.000 0.801 51 E CB -0.410 29.331 29.700 0.067 0.000 0.750 51 E HN 0.375 nan 8.360 nan 0.000 0.452 52 E N 0.296 120.567 120.200 0.117 0.000 2.085 52 E HA -0.278 4.290 4.350 0.362 0.000 0.194 52 E C 2.006 178.680 176.600 0.123 0.000 0.994 52 E CA 1.218 57.700 56.400 0.137 0.000 0.801 52 E CB -0.310 29.495 29.700 0.175 0.000 0.743 52 E HN 0.403 nan 8.360 nan 0.000 0.453 53 Y N 0.811 121.106 120.300 -0.009 0.000 2.114 53 Y HA -0.066 4.701 4.550 0.362 0.000 0.284 53 Y C 2.241 178.098 175.900 -0.072 0.000 1.143 53 Y CA 2.042 60.108 58.100 -0.056 0.000 1.135 53 Y CB -0.922 37.517 38.460 -0.036 0.000 0.980 53 Y HN 0.121 nan 8.280 nan 0.000 0.499 54 G N -0.114 108.654 108.800 -0.053 0.000 2.446 54 G HA2 -0.277 3.900 3.960 0.362 0.000 0.217 54 G HA3 -0.277 3.900 3.960 0.362 0.000 0.217 54 G C 1.813 176.638 174.900 -0.125 0.000 1.168 54 G CA 1.026 46.056 45.100 -0.116 0.000 0.771 54 G HN 0.374 nan 8.290 nan 0.000 0.551 55 R N -0.512 119.958 120.500 -0.049 0.000 2.073 55 R HA 0.026 4.583 4.340 0.362 0.000 0.234 55 R C 2.526 178.791 176.300 -0.058 0.000 1.134 55 R CA 1.149 57.234 56.100 -0.026 0.000 0.952 55 R CB -0.601 29.707 30.300 0.012 0.000 0.850 55 R HN 0.369 nan 8.270 nan 0.000 0.433 56 L N 1.100 122.261 121.223 -0.103 0.000 2.013 56 L HA -0.197 4.360 4.340 0.362 0.000 0.212 56 L C 1.945 178.673 176.870 -0.237 0.000 1.073 56 L CA 1.728 56.484 54.840 -0.139 0.000 0.753 56 L CB -0.288 41.657 42.059 -0.190 0.000 0.890 56 L HN 0.151 nan 8.230 nan 0.000 0.432 57 L N -0.754 120.193 121.223 -0.460 0.000 2.017 57 L HA -0.171 4.386 4.340 0.362 0.000 0.208 57 L C 2.722 179.261 176.870 -0.551 0.000 1.073 57 L CA 1.204 55.581 54.840 -0.771 0.000 0.745 57 L CB -0.942 40.296 42.059 -1.368 0.000 0.894 57 L HN 0.384 nan 8.230 nan 0.000 0.432 58 A N -1.132 121.522 122.820 -0.276 0.000 1.933 58 A HA -0.285 4.252 4.320 0.362 0.000 0.218 58 A C 2.267 179.865 177.584 0.024 0.000 1.175 58 A CA 1.731 53.746 52.037 -0.037 0.000 0.628 58 A CB -0.975 18.051 19.000 0.043 0.000 0.814 58 A HN 0.545 nan 8.150 nan 0.000 0.444 59 H N -0.982 118.038 119.070 -0.083 0.000 2.389 59 H HA -0.029 4.743 4.556 0.361 0.000 0.299 59 H C 2.021 177.329 175.328 -0.034 0.000 1.081 59 H CA 1.726 57.750 56.048 -0.040 0.000 1.345 59 H CB -0.093 29.650 29.762 -0.032 0.000 1.393 59 H HN 0.464 nan 8.280 nan 0.000 0.520 60 M N 0.336 119.827 119.600 -0.183 0.000 2.175 60 M HA -0.188 4.510 4.480 0.362 0.000 0.264 60 M C 2.604 178.850 176.300 -0.089 0.000 1.063 60 M CA 1.458 56.646 55.300 -0.188 0.000 1.119 60 M CB -0.174 32.339 32.600 -0.145 0.000 1.377 60 M HN 0.367 nan 8.290 nan 0.000 0.415 61 Q N 0.616 120.395 119.800 -0.034 0.000 2.084 61 Q HA -0.194 4.363 4.340 0.362 0.000 0.202 61 Q C 1.530 177.569 176.000 0.064 0.000 0.978 61 Q CA 1.399 57.261 55.803 0.098 0.000 0.844 61 Q CB 0.098 28.977 28.738 0.235 0.000 0.898 61 Q HN 0.499 nan 8.270 nan 0.000 0.426 62 E N -0.164 120.049 120.200 0.023 0.000 2.435 62 E HA -0.077 4.490 4.350 0.362 0.000 0.195 62 E C 0.825 177.416 176.600 -0.014 0.000 1.029 62 E CA 0.340 56.755 56.400 0.026 0.000 0.865 62 E CB 0.319 30.052 29.700 0.054 0.000 0.833 62 E HN 0.427 nan 8.360 nan 0.000 0.510 63 E N -0.347 119.802 120.200 -0.085 0.000 2.463 63 E HA 0.066 4.633 4.350 0.362 0.000 0.193 63 E C 0.744 177.328 176.600 -0.027 0.000 1.041 63 E CA 0.132 56.478 56.400 -0.090 0.000 0.879 63 E CB 0.664 30.235 29.700 -0.216 0.000 0.997 63 E HN 0.294 nan 8.360 nan 0.000 0.478 64 G N 1.154 109.960 108.800 0.010 0.000 2.168 64 G HA2 -0.310 3.867 3.960 0.362 0.000 0.257 64 G HA3 -0.310 3.867 3.960 0.362 0.000 0.257 64 G C 1.015 175.960 174.900 0.074 0.000 0.997 64 G CA 0.580 45.710 45.100 0.050 0.000 0.708 64 G HN 0.269 nan 8.290 nan 0.000 0.520 65 V N 0.378 120.327 119.914 0.057 0.000 2.407 65 V HA 0.236 4.573 4.120 0.362 0.000 0.245 65 V C 1.583 177.784 176.094 0.179 0.000 1.041 65 V CA 2.018 64.378 62.300 0.100 0.000 1.040 65 V CB -0.326 31.515 31.823 0.029 0.000 0.671 65 V HN 0.784 nan 8.190 nan 0.000 0.455 66 I N -2.524 118.147 120.570 0.168 0.000 3.042 66 I HA 0.639 5.027 4.170 0.362 0.000 0.310 66 I C -0.567 175.724 176.117 0.289 0.000 1.117 66 I CA -1.129 60.325 61.300 0.258 0.000 1.003 66 I CB 2.320 40.489 38.000 0.281 0.000 1.228 66 I HN -0.183 nan 8.210 nan 0.000 0.443 67 R N 2.209 122.910 120.500 0.334 0.000 2.562 67 R HA 0.444 5.001 4.340 0.362 0.000 0.298 67 R C -0.860 175.627 176.300 0.311 0.000 0.961 67 R CA -0.991 55.277 56.100 0.281 0.000 0.881 67 R CB 2.454 32.863 30.300 0.182 0.000 1.159 67 R HN 0.580 nan 8.270 nan 0.000 0.450 68 K N 3.088 123.572 120.400 0.140 0.000 2.322 68 K HA 0.202 4.739 4.320 0.362 0.000 0.283 68 K C -0.657 175.837 176.600 -0.178 0.000 1.042 68 K CA -0.248 55.858 56.287 -0.302 0.000 0.958 68 K CB 0.594 32.775 32.500 -0.531 0.000 0.984 68 K HN 0.428 nan 8.250 nan 0.000 0.473 69 L N 6.580 127.682 121.223 -0.201 0.000 2.268 69 L HA 0.188 4.745 4.340 0.362 0.000 0.289 69 L C 1.315 178.108 176.870 -0.129 0.000 1.064 69 L CA -0.256 54.550 54.840 -0.056 0.000 0.824 69 L CB 0.863 43.013 42.059 0.151 0.000 1.202 69 L HN 0.717 nan 8.230 nan 0.000 0.433 70 K N 2.095 122.401 120.400 -0.157 0.000 2.365 70 K HA -0.120 4.417 4.320 0.362 0.000 0.199 70 K C 1.600 178.063 176.600 -0.229 0.000 1.045 70 K CA 0.839 57.023 56.287 -0.171 0.000 0.962 70 K CB 0.121 32.543 32.500 -0.130 0.000 0.759 70 K HN 0.413 nan 8.250 nan 0.000 0.469 71 K N 0.035 120.196 120.400 -0.398 0.000 2.296 71 K HA -0.015 4.522 4.320 0.362 0.000 0.200 71 K C -0.424 175.809 176.600 -0.611 0.000 1.048 71 K CA 0.611 56.531 56.287 -0.612 0.000 0.966 71 K CB 0.180 32.108 32.500 -0.953 0.000 0.754 71 K HN 0.125 nan 8.250 nan 0.000 0.466 72 Y N -0.328 119.934 120.300 -0.062 0.000 2.621 72 Y HA 0.215 4.983 4.550 0.364 0.000 0.334 72 Y C -0.382 175.491 175.900 -0.044 0.000 1.074 72 Y CA -2.087 55.994 58.100 -0.033 0.000 1.149 72 Y CB 0.582 39.048 38.460 0.009 0.000 1.302 72 Y HN -0.136 nan 8.280 nan 0.000 0.501 73 D N 1.320 121.826 120.400 0.178 0.000 2.365 73 D HA 0.090 4.947 4.640 0.362 0.000 0.237 73 D C -0.187 176.176 176.300 0.104 0.000 1.190 73 D CA 0.041 54.100 54.000 0.099 0.000 0.867 73 D CB -0.211 40.646 40.800 0.095 0.000 1.050 73 D HN 0.601 nan 8.370 nan 0.000 0.491 74 N N 2.671 121.396 118.700 0.043 0.000 2.727 74 N HA -0.206 4.751 4.740 0.362 0.000 0.251 74 N C -1.688 173.868 175.510 0.077 0.000 1.040 74 N CA 0.506 53.607 53.050 0.084 0.000 0.712 74 N CB -1.416 37.220 38.487 0.248 0.000 0.912 74 N HN 0.333 nan 8.380 nan 0.000 0.545 75 C N 0.480 119.687 119.300 -0.156 0.000 2.456 75 C HA 0.792 5.469 4.460 0.362 0.000 0.325 75 C C -0.247 174.586 174.990 -0.262 0.000 1.217 75 C CA -0.588 58.449 59.018 0.032 0.000 1.687 75 C CB 0.442 28.344 27.740 0.270 0.000 2.270 75 C HN 0.540 nan 8.230 nan 0.000 0.499 76 W N 2.041 123.520 121.300 0.299 0.000 2.950 76 W HA 0.723 5.600 4.660 0.362 0.000 0.340 76 W C -0.835 175.887 176.519 0.339 0.000 1.139 76 W CA -0.743 56.753 57.345 0.252 0.000 1.188 76 W CB 1.099 30.655 29.460 0.159 0.000 1.426 76 W HN 0.368 nan 8.180 nan 0.000 0.531 77 L N 2.569 124.099 121.223 0.513 0.000 2.409 77 L HA 0.906 5.463 4.340 0.362 0.000 0.272 77 L C -0.795 176.297 176.870 0.370 0.000 0.980 77 L CA -0.704 54.390 54.840 0.423 0.000 0.826 77 L CB 1.275 43.519 42.059 0.308 0.000 1.268 77 L HN 0.518 nan 8.230 nan 0.000 0.407 78 A N 5.999 129.033 122.820 0.358 0.000 2.330 78 A HA 0.832 5.370 4.320 0.362 0.000 0.327 78 A C -1.308 176.365 177.584 0.149 0.000 1.155 78 A CA -0.540 51.666 52.037 0.283 0.000 0.803 78 A CB 0.851 20.068 19.000 0.362 0.000 1.208 78 A HN 0.715 nan 8.150 nan 0.000 0.477 79 L N 2.556 123.840 121.223 0.101 0.000 2.333 79 L HA 0.507 5.064 4.340 0.362 0.000 0.280 79 L C 0.658 177.452 176.870 -0.127 0.000 1.004 79 L CA -0.640 54.229 54.840 0.048 0.000 0.820 79 L CB 2.099 44.220 42.059 0.104 0.000 1.247 79 L HN 0.907 nan 8.230 nan 0.000 0.416 80 T N -2.278 112.068 114.554 -0.347 0.000 2.902 80 T HA 0.186 4.753 4.350 0.362 0.000 0.280 80 T C -0.003 174.516 174.700 -0.302 0.000 0.992 80 T CA -0.839 60.759 62.100 -0.838 0.000 1.015 80 T CB 1.602 69.652 68.868 -1.363 0.000 1.044 80 T HN 0.486 nan 8.240 nan 0.000 0.520 81 D N 2.318 122.585 120.400 -0.222 0.000 2.531 81 D HA 0.044 4.901 4.640 0.362 0.000 0.239 81 D C -1.035 175.253 176.300 -0.019 0.000 1.144 81 D CA -1.716 52.290 54.000 0.010 0.000 0.869 81 D CB 1.167 42.092 40.800 0.208 0.000 1.160 81 D HN 0.307 nan 8.370 nan 0.000 0.484 82 P HA -0.120 nan 4.420 nan 0.000 0.223 82 P C 0.898 178.249 177.300 0.085 0.000 1.144 82 P CA 0.812 64.002 63.100 0.150 0.000 0.783 82 P CB 0.235 32.006 31.700 0.117 0.000 0.771 83 R N -0.530 120.003 120.500 0.055 0.000 2.236 83 R HA 0.012 4.569 4.340 0.362 0.000 0.208 83 R C 0.426 176.742 176.300 0.027 0.000 1.036 83 R CA 0.571 56.700 56.100 0.049 0.000 1.001 83 R CB -0.182 30.157 30.300 0.065 0.000 0.896 83 R HN 0.096 nan 8.270 nan 0.000 0.464 84 D N 0.258 120.660 120.400 0.003 0.000 2.412 84 D HA 0.081 4.938 4.640 0.362 0.000 0.276 84 D C 0.319 176.477 176.300 -0.237 0.000 1.196 84 D CA -0.280 53.730 54.000 0.016 0.000 0.905 84 D CB 1.198 42.171 40.800 0.289 0.000 1.081 84 D HN -0.033 nan 8.370 nan 0.000 0.502 85 V N 0.106 119.719 119.914 -0.502 0.000 3.382 85 V HA 0.843 5.180 4.120 0.362 0.000 0.296 85 V C 0.432 175.662 176.094 -1.440 0.000 1.529 85 V CA 0.338 61.987 62.300 -1.086 0.000 1.048 85 V CB -0.108 31.108 31.823 -1.013 0.000 0.878 85 V HN 0.394 nan 8.190 nan 0.000 0.442 86 A N 0.019 122.334 122.820 -0.842 0.000 2.586 86 A HA 0.715 5.252 4.320 0.362 0.000 0.290 86 A C -0.613 176.947 177.584 -0.040 0.000 1.086 86 A CA -1.032 50.772 52.037 -0.388 0.000 0.665 86 A CB 0.951 19.841 19.000 -0.184 0.000 1.279 86 A HN 0.216 nan 8.150 nan 0.000 0.423 87 R N 0.166 120.730 120.500 0.107 0.000 2.585 87 R HA 0.236 4.794 4.340 0.362 0.000 0.275 87 R C -0.717 175.630 176.300 0.079 0.000 1.018 87 R CA 0.305 56.489 56.100 0.140 0.000 1.072 87 R CB 0.074 30.474 30.300 0.168 0.000 0.953 87 R HN 0.461 nan 8.270 nan 0.000 0.419 88 I N 3.604 124.229 120.570 0.093 0.000 2.388 88 I HA 0.092 4.479 4.170 0.362 0.000 0.281 88 I C 0.979 177.141 176.117 0.074 0.000 1.046 88 I CA -0.065 61.277 61.300 0.071 0.000 1.187 88 I CB 1.088 39.136 38.000 0.080 0.000 1.351 88 I HN 0.692 nan 8.210 nan 0.000 0.472 89 E N 2.712 122.937 120.200 0.042 0.000 2.150 89 E HA -0.161 4.406 4.350 0.362 0.000 0.193 89 E C 1.804 178.432 176.600 0.047 0.000 0.985 89 E CA 1.471 57.887 56.400 0.026 0.000 0.814 89 E CB 0.223 29.907 29.700 -0.027 0.000 0.752 89 E HN 0.720 nan 8.360 nan 0.000 0.466 90 S N 0.438 116.167 115.700 0.048 0.000 2.603 90 S HA -0.030 4.657 4.470 0.362 0.000 0.229 90 S C 1.329 175.973 174.600 0.074 0.000 0.972 90 S CA 0.657 58.890 58.200 0.055 0.000 0.935 90 S CB 0.040 63.268 63.200 0.047 0.000 0.769 90 S HN 0.085 nan 8.310 nan 0.000 0.536 91 K N 0.466 120.921 120.400 0.091 0.000 2.501 91 K HA 0.222 4.759 4.320 0.362 0.000 0.204 91 K C -0.739 175.947 176.600 0.143 0.000 1.067 91 K CA -0.037 56.319 56.287 0.115 0.000 1.060 91 K CB 1.322 33.894 32.500 0.119 0.000 0.873 91 K HN 0.164 nan 8.250 nan 0.000 0.540 92 T N 1.754 116.392 114.554 0.139 0.000 2.771 92 T HA 0.443 5.010 4.350 0.362 0.000 0.281 92 T C -0.544 174.261 174.700 0.175 0.000 0.982 92 T CA -0.672 61.539 62.100 0.185 0.000 0.978 92 T CB 1.442 70.420 68.868 0.183 0.000 0.930 92 T HN 0.021 nan 8.240 nan 0.000 0.447 93 V N 1.255 121.300 119.914 0.217 0.000 3.078 93 V HA 0.781 5.118 4.120 0.362 0.000 0.311 93 V C -1.113 175.108 176.094 0.211 0.000 1.138 93 V CA -1.229 61.166 62.300 0.157 0.000 1.007 93 V CB 1.910 33.778 31.823 0.075 0.000 1.045 93 V HN 0.820 nan 8.190 nan 0.000 0.432 94 I N 2.741 123.387 120.570 0.127 0.000 2.465 94 I HA 0.557 4.945 4.170 0.362 0.000 0.291 94 I C -1.122 175.013 176.117 0.030 0.000 1.014 94 I CA -0.613 60.755 61.300 0.114 0.000 1.093 94 I CB 2.083 40.159 38.000 0.128 0.000 1.267 94 I HN 0.519 nan 8.210 nan 0.000 0.431 95 I N 5.414 125.954 120.570 -0.051 0.000 2.354 95 I HA 0.459 4.846 4.170 0.362 0.000 0.292 95 I C 0.192 176.351 176.117 0.070 0.000 0.989 95 I CA 0.124 61.354 61.300 -0.116 0.000 1.188 95 I CB 1.755 39.601 38.000 -0.257 0.000 1.342 95 I HN 0.619 nan 8.210 nan 0.000 0.457 96 T N 0.754 115.479 114.554 0.286 0.000 2.864 96 T HA 0.293 4.860 4.350 0.362 0.000 0.299 96 T C 0.402 175.334 174.700 0.387 0.000 1.166 96 T CA -0.743 61.527 62.100 0.284 0.000 1.007 96 T CB 1.598 70.615 68.868 0.249 0.000 1.219 96 T HN 0.570 nan 8.240 nan 0.000 0.506 97 Q N 0.140 120.067 119.800 0.212 0.000 2.096 97 Q HA -0.062 4.495 4.340 0.362 0.000 0.204 97 Q C -0.005 176.117 176.000 0.203 0.000 0.982 97 Q CA 1.427 57.343 55.803 0.188 0.000 0.850 97 Q CB 0.133 28.924 28.738 0.089 0.000 0.901 97 Q HN 0.714 nan 8.270 nan 0.000 0.422 98 E N -0.169 120.083 120.200 0.086 0.000 2.187 98 E HA 0.054 4.622 4.350 0.362 0.000 0.268 98 E C -0.244 176.103 176.600 -0.421 0.000 0.896 98 E CA -0.301 56.023 56.400 -0.125 0.000 0.766 98 E CB 1.602 31.236 29.700 -0.109 0.000 1.142 98 E HN 0.203 nan 8.360 nan 0.000 0.408 99 Q N 3.278 122.450 119.800 -1.047 0.000 2.135 99 Q HA -0.206 4.351 4.340 0.362 0.000 0.204 99 Q C 1.902 177.527 176.000 -0.626 0.000 0.981 99 Q CA 1.471 56.331 55.803 -1.571 0.000 0.856 99 Q CB 0.158 27.895 28.738 -1.669 0.000 0.902 99 Q HN 0.428 nan 8.270 nan 0.000 0.425 100 R N 0.030 120.292 120.500 -0.396 0.000 2.193 100 R HA -0.123 4.434 4.340 0.362 0.000 0.229 100 R C 0.985 177.212 176.300 -0.122 0.000 1.110 100 R CA 1.380 57.353 56.100 -0.211 0.000 0.988 100 R CB 0.120 30.325 30.300 -0.158 0.000 0.871 100 R HN 0.381 nan 8.270 nan 0.000 0.458 101 D N -1.052 119.282 120.400 -0.109 0.000 2.269 101 D HA -0.071 4.786 4.640 0.362 0.000 0.208 101 D C 1.185 177.520 176.300 0.059 0.000 0.963 101 D CA 1.154 55.147 54.000 -0.012 0.000 0.864 101 D CB 0.268 41.066 40.800 -0.003 0.000 0.936 101 D HN 0.209 nan 8.370 nan 0.000 0.505 102 T N -0.267 114.303 114.554 0.026 0.000 3.021 102 T HA 0.104 4.671 4.350 0.362 0.000 0.245 102 T C 0.839 175.576 174.700 0.061 0.000 1.028 102 T CA 0.245 62.410 62.100 0.108 0.000 1.139 102 T CB 0.807 69.811 68.868 0.226 0.000 0.884 102 T HN -0.016 nan 8.240 nan 0.000 0.457 103 V N -0.235 119.675 119.914 -0.007 0.000 2.841 103 V HA 0.621 4.958 4.120 0.362 0.000 0.310 103 V C -3.242 172.812 176.094 -0.066 0.000 1.090 103 V CA -3.281 59.005 62.300 -0.023 0.000 0.930 103 V CB 1.938 33.767 31.823 0.010 0.000 1.014 103 V HN -0.126 nan 8.190 nan 0.000 0.425 104 P HA 0.310 nan 4.420 nan 0.000 0.272 104 P C -0.571 176.681 177.300 -0.081 0.000 1.230 104 P CA -0.208 62.847 63.100 -0.076 0.000 0.788 104 P CB 0.408 32.064 31.700 -0.073 0.000 0.949 105 I N 3.200 123.718 120.570 -0.087 0.000 2.322 105 I HA 0.196 4.584 4.170 0.362 0.000 0.292 105 I C -2.063 174.011 176.117 -0.071 0.000 1.060 105 I CA -2.698 58.553 61.300 -0.082 0.000 1.309 105 I CB -0.091 37.856 38.000 -0.088 0.000 1.415 105 I HN 0.132 nan 8.210 nan 0.000 0.492 106 P HA 0.105 nan 4.420 nan 0.000 0.269 106 P C 0.759 178.023 177.300 -0.059 0.000 1.215 106 P CA -0.365 62.692 63.100 -0.071 0.000 0.780 106 P CB 1.135 32.797 31.700 -0.062 0.000 0.898 107 K N 0.916 121.278 120.400 -0.064 0.000 2.116 107 K HA 0.010 4.547 4.320 0.362 0.000 0.203 107 K C 1.277 177.854 176.600 -0.038 0.000 1.052 107 K CA 1.657 57.915 56.287 -0.050 0.000 0.952 107 K CB -0.109 32.360 32.500 -0.052 0.000 0.729 107 K HN 0.365 nan 8.250 nan 0.000 0.446 108 S N -1.327 114.349 115.700 -0.039 0.000 3.066 108 S HA 0.231 4.918 4.470 0.362 0.000 0.235 108 S C 1.071 175.660 174.600 -0.020 0.000 0.995 108 S CA 0.175 58.359 58.200 -0.026 0.000 0.835 108 S CB 0.353 63.538 63.200 -0.024 0.000 0.814 108 S HN 0.382 nan 8.310 nan 0.000 0.594 109 G N 1.395 110.181 108.800 -0.022 0.000 2.940 109 G HA2 0.538 4.715 3.960 0.362 0.000 0.164 109 G HA3 0.538 4.715 3.960 0.362 0.000 0.164 109 G C -0.870 174.024 174.900 -0.009 0.000 1.326 109 G CA -0.593 44.501 45.100 -0.011 0.000 1.020 109 G HN 0.452 nan 8.290 nan 0.000 0.586 110 Q N -0.894 118.906 119.800 0.001 0.000 2.205 110 Q HA 0.614 5.171 4.340 0.362 0.000 0.249 110 Q C -0.334 175.667 176.000 0.001 0.000 0.948 110 Q CA -0.599 55.209 55.803 0.009 0.000 0.895 110 Q CB 1.550 30.302 28.738 0.024 0.000 1.249 110 Q HN 0.310 nan 8.270 nan 0.000 0.458 111 S N 0.475 116.179 115.700 0.007 0.000 2.531 111 S HA 0.007 4.694 4.470 0.362 0.000 0.279 111 S C 0.305 174.913 174.600 0.014 0.000 1.305 111 S CA -0.210 57.989 58.200 -0.002 0.000 1.058 111 S CB 0.507 63.711 63.200 0.006 0.000 0.899 111 S HN 0.734 nan 8.310 nan 0.000 0.493 112 Q N 3.529 123.335 119.800 0.010 0.000 2.282 112 Q HA 0.271 4.828 4.340 0.362 0.000 0.206 112 Q C 0.649 176.669 176.000 0.034 0.000 0.878 112 Q CA 0.208 56.032 55.803 0.035 0.000 0.944 112 Q CB 0.217 29.004 28.738 0.082 0.000 1.100 112 Q HN 0.687 nan 8.270 nan 0.000 0.509 113 L N -0.227 121.010 121.223 0.023 0.000 2.700 113 L HA 0.374 4.931 4.340 0.362 0.000 0.234 113 L C 0.598 177.525 176.870 0.095 0.000 1.156 113 L CA -0.295 54.575 54.840 0.050 0.000 0.946 113 L CB 0.669 42.697 42.059 -0.051 0.000 1.216 113 L HN 0.130 nan 8.230 nan 0.000 0.493 114 G N 0.239 109.078 108.800 0.064 0.000 2.352 114 G HA2 0.216 4.393 3.960 0.362 0.000 0.302 114 G HA3 0.216 4.393 3.960 0.362 0.000 0.302 114 G C -1.489 173.465 174.900 0.091 0.000 1.370 114 G CA -0.984 44.163 45.100 0.077 0.000 0.918 114 G HN 0.005 nan 8.290 nan 0.000 0.610 115 R N -0.552 120.018 120.500 0.117 0.000 2.500 115 R HA 0.374 4.931 4.340 0.362 0.000 0.299 115 R C -1.357 175.066 176.300 0.205 0.000 1.038 115 R CA -0.574 55.613 56.100 0.146 0.000 0.903 115 R CB 2.146 32.508 30.300 0.104 0.000 1.177 115 R HN 0.614 nan 8.270 nan 0.000 0.455 116 W N 5.807 127.133 121.300 0.043 0.000 2.376 116 W HA 0.494 5.368 4.660 0.356 0.000 0.322 116 W C -0.872 175.681 176.519 0.056 0.000 1.160 116 W CA -0.704 56.667 57.345 0.045 0.000 1.218 116 W CB 1.120 30.601 29.460 0.034 0.000 1.205 116 W HN 0.398 nan 8.180 nan 0.000 0.559 117 M N 5.971 125.116 119.600 -0.758 0.000 2.457 117 M HA 0.348 5.045 4.480 0.362 0.000 0.300 117 M C -0.180 175.311 176.300 -1.349 0.000 1.141 117 M CA -0.596 54.194 55.300 -0.850 0.000 0.901 117 M CB 1.739 34.162 32.600 -0.296 0.000 1.687 117 M HN 0.568 nan 8.290 nan 0.000 0.449 118 S N 2.660 117.620 115.700 -1.233 0.000 2.593 118 S HA 0.172 4.859 4.470 0.362 0.000 0.269 118 S C 0.569 175.018 174.600 -0.253 0.000 1.334 118 S CA -0.248 57.515 58.200 -0.728 0.000 1.015 118 S CB 0.788 63.789 63.200 -0.330 0.000 0.912 118 S HN 0.862 nan 8.310 nan 0.000 0.541 119 E N 1.526 121.683 120.200 -0.072 0.000 2.085 119 E HA -0.217 4.350 4.350 0.362 0.000 0.194 119 E C 1.769 178.396 176.600 0.046 0.000 0.994 119 E CA 1.817 58.230 56.400 0.023 0.000 0.801 119 E CB -0.253 29.472 29.700 0.043 0.000 0.743 119 E HN 0.842 nan 8.360 nan 0.000 0.453 120 E N 1.210 121.420 120.200 0.016 0.000 2.072 120 E HA -0.170 4.398 4.350 0.362 0.000 0.191 120 E C 1.702 178.302 176.600 -0.001 0.000 0.985 120 E CA 1.246 57.653 56.400 0.011 0.000 0.801 120 E CB -0.114 29.596 29.700 0.015 0.000 0.750 120 E HN 0.177 nan 8.360 nan 0.000 0.452 121 D N -0.113 120.276 120.400 -0.019 0.000 2.117 121 D HA -0.119 4.738 4.640 0.362 0.000 0.198 121 D C 1.602 177.913 176.300 0.018 0.000 0.982 121 D CA 0.641 54.629 54.000 -0.020 0.000 0.828 121 D CB -0.310 40.452 40.800 -0.063 0.000 0.967 121 D HN 0.112 nan 8.370 nan 0.000 0.464 122 F N 1.839 121.737 119.950 -0.086 0.000 2.134 122 F HA -0.163 4.588 4.527 0.373 0.000 0.299 122 F C 2.271 178.082 175.800 0.018 0.000 1.097 122 F CA 1.354 59.331 58.000 -0.039 0.000 1.264 122 F CB -0.146 38.811 39.000 -0.072 0.000 1.001 122 F HN -0.193 nan 8.300 nan 0.000 0.479 123 E N 0.674 120.795 120.200 -0.132 0.000 2.097 123 E HA -0.237 4.330 4.350 0.362 0.000 0.196 123 E C 2.103 178.627 176.600 -0.127 0.000 1.000 123 E CA 1.982 58.279 56.400 -0.171 0.000 0.804 123 E CB -0.212 29.456 29.700 -0.054 0.000 0.740 123 E HN 0.442 nan 8.360 nan 0.000 0.454 124 K N -0.295 120.051 120.400 -0.091 0.000 2.057 124 K HA -0.079 4.458 4.320 0.362 0.000 0.207 124 K C 2.191 178.728 176.600 -0.105 0.000 1.049 124 K CA 1.174 57.419 56.287 -0.070 0.000 0.931 124 K CB -0.246 32.227 32.500 -0.045 0.000 0.714 124 K HN 0.185 nan 8.250 nan 0.000 0.440 125 A N 1.209 123.943 122.820 -0.143 0.000 1.877 125 A HA -0.193 4.344 4.320 0.362 0.000 0.216 125 A C 2.040 179.492 177.584 -0.220 0.000 1.186 125 A CA 1.310 53.255 52.037 -0.155 0.000 0.620 125 A CB -0.769 18.177 19.000 -0.090 0.000 0.822 125 A HN 0.356 nan 8.150 nan 0.000 0.443 126 F N 1.610 121.239 119.950 -0.536 0.000 2.069 126 F HA -0.233 4.509 4.527 0.358 0.000 0.298 126 F C 1.994 177.678 175.800 -0.193 0.000 1.113 126 F CA 2.199 59.945 58.000 -0.424 0.000 1.214 126 F CB -0.271 38.290 39.000 -0.731 0.000 0.978 126 F HN 0.222 nan 8.300 nan 0.000 0.474 127 N N 0.699 119.360 118.700 -0.064 0.000 2.289 127 N HA -0.129 4.828 4.740 0.362 0.000 0.184 127 N C 1.703 177.105 175.510 -0.181 0.000 1.016 127 N CA 1.262 54.251 53.050 -0.101 0.000 0.872 127 N CB -0.713 37.765 38.487 -0.015 0.000 0.973 127 N HN 0.422 nan 8.380 nan 0.000 0.433 128 A N 0.004 122.701 122.820 -0.204 0.000 2.238 128 A HA 0.113 4.650 4.320 0.362 0.000 0.208 128 A C 1.999 179.375 177.584 -0.346 0.000 1.177 128 A CA 0.505 52.415 52.037 -0.212 0.000 0.804 128 A CB 0.092 18.998 19.000 -0.157 0.000 0.823 128 A HN 0.182 nan 8.150 nan 0.000 0.482 129 R N -2.979 117.189 120.500 -0.555 0.000 2.493 129 R HA 0.301 4.858 4.340 0.362 0.000 0.177 129 R C 1.285 176.974 176.300 -1.017 0.000 0.861 129 R CA 0.427 55.857 56.100 -1.118 0.000 1.083 129 R CB -0.133 29.068 30.300 -1.832 0.000 1.328 129 R HN 0.397 nan 8.270 nan 0.000 0.615 130 F N 1.847 121.316 119.950 -0.802 0.000 2.270 130 F HA 0.132 4.873 4.527 0.357 0.000 0.295 130 F C -1.365 174.248 175.800 -0.312 0.000 1.087 130 F CA -0.257 57.409 58.000 -0.556 0.000 1.365 130 F CB -0.861 37.614 39.000 -0.875 0.000 1.056 130 F HN -0.205 nan 8.300 nan 0.000 0.506 131 P HA 0.061 nan 4.420 nan 0.000 0.258 131 P C 0.696 177.969 177.300 -0.046 0.000 1.172 131 P CA 1.687 64.744 63.100 -0.070 0.000 0.762 131 P CB 0.061 31.716 31.700 -0.074 0.000 0.764 132 G N 3.062 111.855 108.800 -0.011 0.000 2.189 132 G HA2 -0.401 3.776 3.960 0.362 0.000 0.267 132 G HA3 -0.401 3.776 3.960 0.362 0.000 0.267 132 G C 1.189 176.085 174.900 -0.006 0.000 0.975 132 G CA 0.306 45.403 45.100 -0.005 0.000 0.644 132 G HN 0.691 nan 8.290 nan 0.000 0.537 133 C N -0.946 118.353 119.300 -0.002 0.000 2.422 133 C HA 0.444 5.121 4.460 0.362 0.000 0.286 133 C C 2.318 177.296 174.990 -0.019 0.000 1.412 133 C CA 1.424 60.444 59.018 0.003 0.000 1.786 133 C CB -0.735 27.037 27.740 0.052 0.000 1.835 133 C HN 0.494 nan 8.230 nan 0.000 0.533 134 M N 0.005 119.602 119.600 -0.006 0.000 2.404 134 M HA 0.221 4.919 4.480 0.362 0.000 0.271 134 M C 0.372 176.661 176.300 -0.018 0.000 1.128 134 M CA -0.246 55.045 55.300 -0.016 0.000 0.982 134 M CB -0.066 32.531 32.600 -0.005 0.000 1.445 134 M HN 0.034 nan 8.290 nan 0.000 0.495 135 K N 1.358 121.748 120.400 -0.017 0.000 2.491 135 K HA 0.114 4.651 4.320 0.362 0.000 0.279 135 K C 1.144 177.724 176.600 -0.033 0.000 1.026 135 K CA 1.569 57.843 56.287 -0.022 0.000 1.070 135 K CB -0.068 32.420 32.500 -0.019 0.000 0.887 135 K HN 0.462 nan 8.250 nan 0.000 0.481 136 G N 3.242 112.011 108.800 -0.052 0.000 2.179 136 G HA2 -0.311 3.866 3.960 0.362 0.000 0.260 136 G HA3 -0.311 3.866 3.960 0.362 0.000 0.260 136 G C 0.030 174.910 174.900 -0.034 0.000 0.977 136 G CA 0.505 45.572 45.100 -0.055 0.000 0.641 136 G HN 0.592 nan 8.290 nan 0.000 0.533 137 R N -0.243 120.241 120.500 -0.026 0.000 2.856 137 R HA 0.620 5.177 4.340 0.362 0.000 0.258 137 R C -0.455 175.845 176.300 0.001 0.000 1.066 137 R CA -0.443 55.663 56.100 0.010 0.000 1.045 137 R CB 0.893 31.200 30.300 0.011 0.000 1.178 137 R HN 0.115 nan 8.270 nan 0.000 0.499 138 T N 2.071 116.628 114.554 0.006 0.000 2.817 138 T HA 0.184 4.751 4.350 0.362 0.000 0.293 138 T C 0.129 174.704 174.700 -0.210 0.000 0.964 138 T CA -0.250 61.768 62.100 -0.135 0.000 1.085 138 T CB 0.623 69.250 68.868 -0.402 0.000 0.921 138 T HN 0.330 nan 8.240 nan 0.000 0.502 139 M N 4.937 124.441 119.600 -0.160 0.000 2.108 139 M HA 0.307 5.004 4.480 0.362 0.000 0.347 139 M C -1.416 174.793 176.300 -0.152 0.000 1.326 139 M CA -0.542 54.700 55.300 -0.096 0.000 1.126 139 M CB -0.016 32.544 32.600 -0.067 0.000 1.606 139 M HN 0.566 nan 8.290 nan 0.000 0.462 140 Y N 3.855 124.204 120.300 0.080 0.000 2.316 140 Y HA 0.372 5.138 4.550 0.361 0.000 0.331 140 Y C -0.003 175.960 175.900 0.106 0.000 1.083 140 Y CA -0.579 57.581 58.100 0.100 0.000 1.206 140 Y CB 0.847 39.333 38.460 0.043 0.000 1.195 140 Y HN 0.328 nan 8.280 nan 0.000 0.497 141 V N 6.060 126.128 119.914 0.257 0.000 2.328 141 V HA 0.291 4.628 4.120 0.362 0.000 0.278 141 V C -0.116 176.109 176.094 0.219 0.000 1.021 141 V CA -0.716 61.699 62.300 0.191 0.000 0.838 141 V CB 0.520 32.410 31.823 0.111 0.000 0.999 141 V HN 0.582 nan 8.190 nan 0.000 0.447 142 I N 8.034 128.748 120.570 0.240 0.000 2.337 142 I HA 0.353 4.740 4.170 0.362 0.000 0.285 142 I C -2.467 173.833 176.117 0.305 0.000 1.041 142 I CA -1.912 59.535 61.300 0.244 0.000 1.199 142 I CB 1.806 39.934 38.000 0.214 0.000 1.370 142 I HN 0.411 nan 8.210 nan 0.000 0.470 143 P HA 0.315 nan 4.420 nan 0.000 0.293 143 P C -1.040 176.381 177.300 0.202 0.000 1.313 143 P CA -0.197 62.977 63.100 0.125 0.000 0.787 143 P CB 0.425 32.141 31.700 0.027 0.000 0.910 144 F N -0.191 119.789 119.950 0.050 0.000 2.613 144 F HA 0.770 5.494 4.527 0.329 0.000 0.310 144 F C -0.848 174.980 175.800 0.047 0.000 1.085 144 F CA -1.298 56.722 58.000 0.033 0.000 0.945 144 F CB 1.443 40.459 39.000 0.027 0.000 1.298 144 F HN 0.167 nan 8.300 nan 0.000 0.455 145 S N 3.557 119.323 115.700 0.110 0.000 2.454 145 S HA 0.658 5.345 4.470 0.362 0.000 0.306 145 S C -0.731 173.885 174.600 0.026 0.000 1.100 145 S CA -0.796 57.407 58.200 0.005 0.000 1.087 145 S CB 0.698 63.886 63.200 -0.019 0.000 1.019 145 S HN 0.620 nan 8.310 nan 0.000 0.480 146 M N 4.344 123.901 119.600 -0.071 0.000 2.069 146 M HA 0.477 5.174 4.480 0.362 0.000 0.349 146 M C 0.698 176.820 176.300 -0.297 0.000 1.194 146 M CA 0.117 55.258 55.300 -0.265 0.000 1.081 146 M CB -0.364 31.916 32.600 -0.534 0.000 1.500 146 M HN 1.036 nan 8.290 nan 0.000 0.438 147 G N 5.637 114.259 108.800 -0.296 0.000 2.570 147 G HA2 -0.029 4.148 3.960 0.362 0.000 0.686 147 G HA3 -0.029 4.148 3.960 0.362 0.000 0.686 147 G C -3.369 171.415 174.900 -0.193 0.000 1.257 147 G CA -1.414 43.536 45.100 -0.250 0.000 0.846 147 G HN 0.377 nan 8.290 nan 0.000 0.627 148 P HA 0.188 nan 4.420 nan 0.000 0.263 148 P C 1.693 178.905 177.300 -0.147 0.000 1.195 148 P CA -0.485 62.479 63.100 -0.225 0.000 0.762 148 P CB 0.458 32.003 31.700 -0.258 0.000 0.799 149 L N 3.792 124.940 121.223 -0.125 0.000 2.030 149 L HA -0.215 4.342 4.340 0.362 0.000 0.222 149 L C 2.299 179.125 176.870 -0.072 0.000 1.082 149 L CA 2.785 57.575 54.840 -0.083 0.000 0.785 149 L CB -2.535 39.481 42.059 -0.072 0.000 0.895 149 L HN 0.539 nan 8.230 nan 0.000 0.439 150 G N -1.728 107.022 108.800 -0.083 0.000 2.920 150 G HA2 -0.060 4.117 3.960 0.362 0.000 0.208 150 G HA3 -0.060 4.117 3.960 0.362 0.000 0.208 150 G C 0.905 175.761 174.900 -0.072 0.000 1.159 150 G CA 0.445 45.503 45.100 -0.070 0.000 0.784 150 G HN 0.377 nan 8.290 nan 0.000 0.535 151 S N 1.162 116.811 115.700 -0.085 0.000 2.549 151 S HA 0.272 4.959 4.470 0.362 0.000 0.279 151 S C -0.465 174.090 174.600 -0.074 0.000 1.321 151 S CA -1.091 57.056 58.200 -0.088 0.000 1.054 151 S CB 1.467 64.605 63.200 -0.104 0.000 0.899 151 S HN 0.080 nan 8.310 nan 0.000 0.497 152 P HA -0.009 nan 4.420 nan 0.000 0.226 152 P C 0.851 178.074 177.300 -0.128 0.000 1.153 152 P CA 0.849 63.896 63.100 -0.088 0.000 0.777 152 P CB 0.040 31.689 31.700 -0.086 0.000 0.794 153 L N -1.650 119.494 121.223 -0.132 0.000 2.585 153 L HA 0.267 4.824 4.340 0.362 0.000 0.226 153 L C 1.333 178.193 176.870 -0.016 0.000 1.113 153 L CA -0.332 54.397 54.840 -0.185 0.000 0.876 153 L CB -0.419 41.546 42.059 -0.157 0.000 1.072 153 L HN -0.148 nan 8.230 nan 0.000 0.468 154 A N 0.980 123.810 122.820 0.016 0.000 2.351 154 A HA 0.475 5.012 4.320 0.362 0.000 0.257 154 A C 0.005 177.694 177.584 0.176 0.000 1.087 154 A CA 0.005 52.105 52.037 0.104 0.000 0.798 154 A CB 0.452 19.450 19.000 -0.004 0.000 1.033 154 A HN 0.054 nan 8.150 nan 0.000 0.488 155 K N 1.175 121.759 120.400 0.307 0.000 2.469 155 K HA 0.566 5.103 4.320 0.362 0.000 0.254 155 K C -1.347 175.420 176.600 0.279 0.000 0.939 155 K CA -0.293 56.198 56.287 0.341 0.000 0.812 155 K CB 2.201 35.047 32.500 0.576 0.000 1.301 155 K HN 0.640 nan 8.250 nan 0.000 0.433 156 I N 0.801 121.507 120.570 0.226 0.000 2.460 156 I HA 0.458 4.846 4.170 0.362 0.000 0.298 156 I C 0.538 176.685 176.117 0.050 0.000 0.989 156 I CA -0.601 60.729 61.300 0.050 0.000 1.173 156 I CB 2.098 40.103 38.000 0.010 0.000 1.338 156 I HN 0.653 nan 8.210 nan 0.000 0.456 157 G N 5.957 114.498 108.800 -0.431 0.000 2.569 157 G HA2 0.730 4.907 3.960 0.362 0.000 0.300 157 G HA3 0.730 4.907 3.960 0.362 0.000 0.300 157 G C -1.145 173.457 174.900 -0.496 0.000 1.269 157 G CA -0.403 44.404 45.100 -0.488 0.000 0.959 157 G HN 0.317 nan 8.290 nan 0.000 0.478 158 I N 0.929 121.500 120.570 0.001 0.000 2.439 158 I HA 0.324 4.711 4.170 0.362 0.000 0.285 158 I C -0.385 176.047 176.117 0.525 0.000 1.021 158 I CA -0.612 60.807 61.300 0.199 0.000 1.091 158 I CB 1.544 39.593 38.000 0.080 0.000 1.242 158 I HN 0.630 nan 8.210 nan 0.000 0.439 159 E N 7.102 127.672 120.200 0.615 0.000 2.175 159 E HA 0.570 5.137 4.350 0.362 0.000 0.278 159 E C -1.354 175.470 176.600 0.372 0.000 0.969 159 E CA -0.598 56.109 56.400 0.512 0.000 0.796 159 E CB 1.377 31.305 29.700 0.379 0.000 1.104 159 E HN 0.483 nan 8.360 nan 0.000 0.395 160 L N 3.651 125.074 121.223 0.332 0.000 2.295 160 L HA 0.525 5.082 4.340 0.362 0.000 0.285 160 L C 0.164 177.184 176.870 0.250 0.000 1.035 160 L CA -0.574 54.384 54.840 0.197 0.000 0.806 160 L CB 1.766 43.830 42.059 0.008 0.000 1.214 160 L HN 0.508 nan 8.230 nan 0.000 0.426 161 T N -0.668 114.037 114.554 0.252 0.000 2.894 161 T HA 0.267 4.834 4.350 0.362 0.000 0.309 161 T C -0.489 174.381 174.700 0.283 0.000 1.208 161 T CA -0.581 61.703 62.100 0.305 0.000 1.016 161 T CB 1.574 70.642 68.868 0.334 0.000 1.192 161 T HN 0.746 nan 8.240 nan 0.000 0.491 162 D N 1.065 121.591 120.400 0.210 0.000 2.363 162 D HA 0.204 5.061 4.640 0.362 0.000 0.214 162 D C 0.499 176.927 176.300 0.213 0.000 1.093 162 D CA -0.125 53.986 54.000 0.184 0.000 0.837 162 D CB 0.267 41.094 40.800 0.045 0.000 0.948 162 D HN 0.253 nan 8.370 nan 0.000 0.507 163 S N 0.716 116.532 115.700 0.194 0.000 2.438 163 S HA 0.393 5.081 4.470 0.362 0.000 0.316 163 S C -1.912 172.649 174.600 -0.065 0.000 1.084 163 S CA -1.505 56.735 58.200 0.067 0.000 1.107 163 S CB 1.582 64.825 63.200 0.072 0.000 0.981 163 S HN -0.254 nan 8.310 nan 0.000 0.466 164 P HA -0.089 nan 4.420 nan 0.000 0.218 164 P C 0.993 178.172 177.300 -0.203 0.000 1.149 164 P CA 0.770 63.661 63.100 -0.348 0.000 0.817 164 P CB -0.101 31.479 31.700 -0.200 0.000 0.785 165 Y N 0.531 120.718 120.300 -0.189 0.000 2.151 165 Y HA -0.249 4.516 4.550 0.358 0.000 0.284 165 Y C 2.058 177.888 175.900 -0.117 0.000 1.166 165 Y CA 1.473 59.504 58.100 -0.115 0.000 1.163 165 Y CB -0.980 37.434 38.460 -0.077 0.000 0.974 165 Y HN -0.279 nan 8.280 nan 0.000 0.511 166 V N -0.763 119.110 119.914 -0.068 0.000 2.295 166 V HA -0.329 4.008 4.120 0.362 0.000 0.246 166 V C 2.342 178.291 176.094 -0.242 0.000 1.049 166 V CA 1.737 63.932 62.300 -0.176 0.000 1.024 166 V CB -0.826 30.929 31.823 -0.112 0.000 0.648 166 V HN 0.390 nan 8.190 nan 0.000 0.447 167 V N 0.426 120.195 119.914 -0.242 0.000 2.255 167 V HA -0.305 4.032 4.120 0.362 0.000 0.247 167 V C 2.731 178.711 176.094 -0.190 0.000 1.051 167 V CA 2.246 64.402 62.300 -0.240 0.000 1.018 167 V CB -1.330 30.250 31.823 -0.405 0.000 0.641 167 V HN 0.566 nan 8.190 nan 0.000 0.445 168 A N -0.338 122.374 122.820 -0.180 0.000 1.908 168 A HA -0.225 4.312 4.320 0.362 0.000 0.218 168 A C 2.472 179.993 177.584 -0.106 0.000 1.181 168 A CA 2.424 54.455 52.037 -0.009 0.000 0.627 168 A CB -0.751 18.217 19.000 -0.053 0.000 0.818 168 A HN 0.523 nan 8.150 nan 0.000 0.445 169 S N -0.548 114.979 115.700 -0.289 0.000 2.383 169 S HA -0.093 4.594 4.470 0.362 0.000 0.227 169 S C 1.986 176.417 174.600 -0.281 0.000 1.026 169 S CA 1.455 59.464 58.200 -0.318 0.000 0.981 169 S CB -0.283 62.616 63.200 -0.501 0.000 0.818 169 S HN 0.468 nan 8.310 nan 0.000 0.472 170 M N 1.126 120.554 119.600 -0.287 0.000 2.213 170 M HA -0.014 4.683 4.480 0.362 0.000 0.263 170 M C 2.164 178.328 176.300 -0.228 0.000 1.062 170 M CA 1.138 56.264 55.300 -0.290 0.000 1.105 170 M CB -1.041 31.377 32.600 -0.303 0.000 1.385 170 M HN 0.278 nan 8.290 nan 0.000 0.417 171 R N 0.464 120.839 120.500 -0.208 0.000 2.096 171 R HA -0.113 4.444 4.340 0.362 0.000 0.235 171 R C 1.964 178.122 176.300 -0.237 0.000 1.127 171 R CA 1.274 57.238 56.100 -0.226 0.000 0.968 171 R CB -0.111 29.984 30.300 -0.342 0.000 0.861 171 R HN 0.333 nan 8.270 nan 0.000 0.440 172 I N -0.134 120.297 120.570 -0.232 0.000 2.277 172 I HA -0.199 4.188 4.170 0.362 0.000 0.243 172 I C 2.013 178.032 176.117 -0.163 0.000 1.094 172 I CA 0.717 61.906 61.300 -0.185 0.000 1.393 172 I CB -0.085 37.834 38.000 -0.135 0.000 1.078 172 I HN 0.145 nan 8.210 nan 0.000 0.417 173 M N 0.338 119.828 119.600 -0.183 0.000 2.506 173 M HA 0.068 4.765 4.480 0.362 0.000 0.260 173 M C 0.929 177.120 176.300 -0.182 0.000 1.104 173 M CA 0.777 55.964 55.300 -0.189 0.000 1.112 173 M CB -1.117 31.338 32.600 -0.242 0.000 1.401 173 M HN 0.350 nan 8.290 nan 0.000 0.473 174 T N -1.736 112.719 114.554 -0.166 0.000 2.865 174 T HA 0.633 5.200 4.350 0.362 0.000 0.294 174 T C -0.411 174.259 174.700 -0.050 0.000 1.119 174 T CA -1.014 61.026 62.100 -0.100 0.000 1.007 174 T CB 2.112 70.920 68.868 -0.100 0.000 1.225 174 T HN 0.062 nan 8.240 nan 0.000 0.515 175 R N 1.145 121.644 120.500 -0.002 0.000 2.210 175 R HA 0.539 5.096 4.340 0.362 0.000 0.338 175 R C -0.146 176.184 176.300 0.051 0.000 1.062 175 R CA -0.393 55.705 56.100 -0.003 0.000 0.902 175 R CB 0.659 30.942 30.300 -0.029 0.000 1.050 175 R HN 0.518 nan 8.270 nan 0.000 0.461 176 M N 2.168 121.782 119.600 0.024 0.000 2.465 176 M HA 0.605 5.303 4.480 0.362 0.000 0.316 176 M C -0.051 176.270 176.300 0.036 0.000 1.121 176 M CA -0.008 55.327 55.300 0.058 0.000 0.934 176 M CB 1.988 34.598 32.600 0.017 0.000 1.692 176 M HN 0.756 nan 8.290 nan 0.000 0.444 177 G N 2.205 111.040 108.800 0.058 0.000 2.318 177 G HA2 -0.149 4.029 3.960 0.362 0.000 0.367 177 G HA3 -0.149 4.029 3.960 0.362 0.000 0.367 177 G C 0.039 174.956 174.900 0.028 0.000 1.260 177 G CA -0.078 45.048 45.100 0.043 0.000 1.055 177 G HN 0.590 nan 8.290 nan 0.000 0.484 178 T N 0.953 115.518 114.554 0.018 0.000 2.788 178 T HA -0.095 4.472 4.350 0.362 0.000 0.268 178 T C 2.862 177.560 174.700 -0.003 0.000 1.044 178 T CA 3.067 65.171 62.100 0.006 0.000 1.139 178 T CB -0.541 68.330 68.868 0.004 0.000 0.867 178 T HN 1.522 nan 8.240 nan 0.000 0.454 179 S N 1.122 116.820 115.700 -0.004 0.000 2.419 179 S HA -0.064 4.623 4.470 0.362 0.000 0.233 179 S C 2.101 176.692 174.600 -0.015 0.000 1.016 179 S CA 0.712 58.905 58.200 -0.011 0.000 0.974 179 S CB -0.761 62.431 63.200 -0.014 0.000 0.786 179 S HN 0.325 nan 8.310 nan 0.000 0.492 180 V N 1.924 121.831 119.914 -0.011 0.000 2.379 180 V HA -0.040 4.297 4.120 0.362 0.000 0.245 180 V C 2.551 178.625 176.094 -0.033 0.000 1.044 180 V CA 1.456 63.744 62.300 -0.019 0.000 1.036 180 V CB -0.843 30.977 31.823 -0.007 0.000 0.664 180 V HN 0.439 nan 8.190 nan 0.000 0.453 181 L N -0.049 121.155 121.223 -0.032 0.000 2.013 181 L HA -0.251 4.306 4.340 0.362 0.000 0.212 181 L C 2.647 179.496 176.870 -0.035 0.000 1.073 181 L CA 1.979 56.791 54.840 -0.047 0.000 0.753 181 L CB -0.604 41.434 42.059 -0.036 0.000 0.890 181 L HN 0.423 nan 8.230 nan 0.000 0.432 182 E N -0.346 119.840 120.200 -0.023 0.000 2.204 182 E HA -0.176 4.391 4.350 0.362 0.000 0.194 182 E C 2.180 178.770 176.600 -0.017 0.000 0.989 182 E CA 0.947 57.337 56.400 -0.017 0.000 0.824 182 E CB -0.094 29.598 29.700 -0.014 0.000 0.756 182 E HN 0.526 nan 8.360 nan 0.000 0.477 183 A N 1.284 124.092 122.820 -0.020 0.000 1.874 183 A HA -0.104 4.433 4.320 0.362 0.000 0.214 183 A C 2.144 179.721 177.584 -0.012 0.000 1.189 183 A CA 0.624 52.651 52.037 -0.018 0.000 0.615 183 A CB -0.481 18.506 19.000 -0.022 0.000 0.830 183 A HN 0.205 nan 8.150 nan 0.000 0.443 184 L N -0.392 120.820 121.223 -0.017 0.000 1.990 184 L HA 0.048 4.605 4.340 0.362 0.000 0.213 184 L C 1.786 178.662 176.870 0.010 0.000 1.072 184 L CA 2.302 57.138 54.840 -0.006 0.000 0.755 184 L CB -1.223 40.811 42.059 -0.042 0.000 0.889 184 L HN 0.830 nan 8.230 nan 0.000 0.432 185 G N -1.044 107.755 108.800 -0.001 0.000 2.611 185 G HA2 -0.385 3.792 3.960 0.362 0.000 0.301 185 G HA3 -0.385 3.792 3.960 0.362 0.000 0.301 185 G C 0.400 175.317 174.900 0.029 0.000 1.233 185 G CA 0.403 45.508 45.100 0.009 0.000 0.993 185 G HN 0.428 nan 8.290 nan 0.000 0.553 186 D N 2.453 122.876 120.400 0.037 0.000 2.460 186 D HA 0.373 5.230 4.640 0.362 0.000 0.229 186 D C 1.282 177.624 176.300 0.070 0.000 1.170 186 D CA 0.857 54.891 54.000 0.058 0.000 0.827 186 D CB -0.282 40.542 40.800 0.041 0.000 0.973 186 D HN 0.676 nan 8.370 nan 0.000 0.496 187 G N 0.129 108.975 108.800 0.078 0.000 2.616 187 G HA2 0.157 4.335 3.960 0.362 0.000 0.268 187 G HA3 0.157 4.335 3.960 0.362 0.000 0.268 187 G C 0.157 175.135 174.900 0.130 0.000 1.213 187 G CA -0.306 44.841 45.100 0.078 0.000 0.926 187 G HN -0.039 nan 8.290 nan 0.000 0.523 188 E N -1.150 119.087 120.200 0.061 0.000 2.366 188 E HA 0.485 5.052 4.350 0.362 0.000 0.266 188 E C -0.528 176.122 176.600 0.083 0.000 1.051 188 E CA -0.124 56.266 56.400 -0.016 0.000 0.884 188 E CB 1.125 30.778 29.700 -0.079 0.000 1.006 188 E HN 0.533 nan 8.360 nan 0.000 0.417 189 F N -1.632 118.253 119.950 -0.108 0.000 2.645 189 F HA 0.639 5.379 4.527 0.354 0.000 0.310 189 F C -0.961 174.704 175.800 -0.224 0.000 1.102 189 F CA -1.651 56.266 58.000 -0.139 0.000 0.952 189 F CB 0.845 39.761 39.000 -0.141 0.000 1.326 189 F HN 0.219 nan 8.300 nan 0.000 0.456 190 I N 2.463 122.953 120.570 -0.134 0.000 2.416 190 I HA 0.236 4.623 4.170 0.362 0.000 0.288 190 I C -0.072 175.935 176.117 -0.184 0.000 1.051 190 I CA -0.615 60.476 61.300 -0.348 0.000 1.375 190 I CB 0.992 38.533 38.000 -0.766 0.000 1.407 190 I HN 0.647 nan 8.210 nan 0.000 0.516 191 K N 5.436 125.622 120.400 -0.357 0.000 2.276 191 K HA 0.389 4.926 4.320 0.362 0.000 0.285 191 K C -1.000 175.552 176.600 -0.079 0.000 1.062 191 K CA -0.240 55.747 56.287 -0.499 0.000 0.918 191 K CB 0.736 32.703 32.500 -0.888 0.000 1.055 191 K HN 0.564 nan 8.250 nan 0.000 0.477 192 C N 4.441 123.893 119.300 0.253 0.000 2.322 192 C HA 0.430 5.107 4.460 0.362 0.000 0.324 192 C C -0.781 174.518 174.990 0.515 0.000 1.249 192 C CA -1.082 58.159 59.018 0.371 0.000 1.453 192 C CB -0.039 27.953 27.740 0.420 0.000 2.145 192 C HN 0.686 nan 8.230 nan 0.000 0.466 193 L N 4.076 125.548 121.223 0.415 0.000 2.333 193 L HA 0.711 5.268 4.340 0.362 0.000 0.280 193 L C -0.666 176.464 176.870 0.432 0.000 1.004 193 L CA 0.128 55.192 54.840 0.374 0.000 0.820 193 L CB 0.764 42.971 42.059 0.246 0.000 1.247 193 L HN 0.841 nan 8.230 nan 0.000 0.416 194 H N 2.744 122.007 119.070 0.323 0.000 2.679 194 H HA 0.785 5.560 4.556 0.366 0.000 0.360 194 H C -1.629 173.863 175.328 0.273 0.000 1.105 194 H CA -0.233 56.001 56.048 0.310 0.000 1.196 194 H CB 1.819 31.698 29.762 0.195 0.000 1.636 194 H HN 0.664 nan 8.280 nan 0.000 0.531 195 S N 3.344 118.747 115.700 -0.495 0.000 2.540 195 S HA 0.261 4.948 4.470 0.362 0.000 0.275 195 S C 0.788 174.833 174.600 -0.925 0.000 1.123 195 S CA -0.213 57.642 58.200 -0.574 0.000 0.907 195 S CB 0.962 64.014 63.200 -0.247 0.000 1.081 195 S HN 0.802 nan 8.310 nan 0.000 0.476 196 V N 1.950 121.463 119.914 -0.669 0.000 2.970 196 V HA 0.360 4.697 4.120 0.362 0.000 0.260 196 V C 1.450 177.124 176.094 -0.699 0.000 1.100 196 V CA 1.094 63.067 62.300 -0.546 0.000 1.122 196 V CB -1.296 30.320 31.823 -0.346 0.000 0.721 196 V HN 1.912 nan 8.190 nan 0.000 0.483 197 G N -0.581 107.713 108.800 -0.844 0.000 2.182 197 G HA2 -0.230 3.947 3.960 0.362 0.000 0.248 197 G HA3 -0.230 3.947 3.960 0.362 0.000 0.248 197 G C -0.047 174.645 174.900 -0.346 0.000 1.042 197 G CA -0.027 44.523 45.100 -0.917 0.000 0.775 197 G HN 0.838 nan 8.290 nan 0.000 0.501 198 C N 1.994 121.147 119.300 -0.245 0.000 3.335 198 C HA 0.443 5.120 4.460 0.362 0.000 0.217 198 C C -1.353 173.582 174.990 -0.093 0.000 1.330 198 C CA -1.482 57.453 59.018 -0.138 0.000 1.470 198 C CB 0.544 28.202 27.740 -0.136 0.000 1.806 198 C HN 0.522 nan 8.230 nan 0.000 0.468 199 P HA 0.214 nan 4.420 nan 0.000 0.272 199 P C -0.690 176.589 177.300 -0.035 0.000 1.223 199 P CA 0.311 63.385 63.100 -0.044 0.000 0.784 199 P CB 1.074 32.757 31.700 -0.029 0.000 0.923 200 L N 3.590 124.796 121.223 -0.028 0.000 2.334 200 L HA 0.404 4.961 4.340 0.362 0.000 0.277 200 L C -1.630 175.229 176.870 -0.019 0.000 1.075 200 L CA -2.217 52.611 54.840 -0.021 0.000 0.804 200 L CB 0.711 42.760 42.059 -0.016 0.000 1.174 200 L HN 0.281 nan 8.230 nan 0.000 0.438 201 P HA 0.117 nan 4.420 nan 0.000 0.271 201 P C -0.649 176.643 177.300 -0.013 0.000 1.216 201 P CA -0.366 62.727 63.100 -0.011 0.000 0.776 201 P CB 0.683 32.378 31.700 -0.008 0.000 0.881 202 L N 3.383 124.599 121.223 -0.012 0.000 2.513 202 L HA -0.008 4.549 4.340 0.362 0.000 0.272 202 L C 1.868 178.732 176.870 -0.010 0.000 1.187 202 L CA 0.103 54.934 54.840 -0.015 0.000 0.895 202 L CB 0.095 42.146 42.059 -0.012 0.000 1.147 202 L HN 0.343 nan 8.230 nan 0.000 0.483 203 K N 2.777 123.170 120.400 -0.011 0.000 2.186 203 K HA 0.080 4.617 4.320 0.362 0.000 0.202 203 K C 0.229 176.827 176.600 -0.003 0.000 1.052 203 K CA 0.938 57.221 56.287 -0.007 0.000 0.965 203 K CB 0.185 32.680 32.500 -0.007 0.000 0.746 203 K HN 0.535 nan 8.250 nan 0.000 0.457 204 K N 1.429 121.827 120.400 -0.004 0.000 2.267 204 K HA 0.356 4.893 4.320 0.362 0.000 0.246 204 K C -2.635 173.967 176.600 0.003 0.000 0.954 204 K CA -2.082 54.206 56.287 0.001 0.000 0.824 204 K CB 1.129 33.631 32.500 0.003 0.000 1.167 204 K HN -0.208 nan 8.250 nan 0.000 0.431 205 P HA -0.010 nan 4.420 nan 0.000 0.265 205 P C -0.964 176.346 177.300 0.017 0.000 1.193 205 P CA -0.419 62.689 63.100 0.012 0.000 0.765 205 P CB 0.331 32.040 31.700 0.014 0.000 0.823 206 L N 5.021 126.255 121.223 0.018 0.000 2.313 206 L HA 0.222 4.779 4.340 0.362 0.000 0.282 206 L C -0.684 176.214 176.870 0.045 0.000 1.092 206 L CA -0.060 54.797 54.840 0.028 0.000 0.831 206 L CB 0.670 42.741 42.059 0.020 0.000 1.159 206 L HN 0.077 nan 8.230 nan 0.000 0.442 207 V N 6.017 125.973 119.914 0.071 0.000 2.398 207 V HA 0.366 4.703 4.120 0.362 0.000 0.286 207 V C 0.280 176.442 176.094 0.113 0.000 1.026 207 V CA -0.776 61.569 62.300 0.075 0.000 0.868 207 V CB 1.237 33.101 31.823 0.068 0.000 0.982 207 V HN 0.905 nan 8.190 nan 0.000 0.443 208 N N 3.704 122.451 118.700 0.079 0.000 2.708 208 N HA -0.240 4.717 4.740 0.362 0.000 0.249 208 N C 0.467 176.068 175.510 0.153 0.000 1.097 208 N CA 1.186 54.291 53.050 0.092 0.000 0.710 208 N CB -1.419 37.108 38.487 0.065 0.000 1.032 208 N HN 1.022 nan 8.380 nan 0.000 0.551 209 N N -2.133 116.643 118.700 0.126 0.000 2.696 209 N HA -0.229 4.728 4.740 0.362 0.000 0.249 209 N C -0.951 174.669 175.510 0.183 0.000 1.090 209 N CA 1.198 54.318 53.050 0.117 0.000 0.716 209 N CB -0.736 37.806 38.487 0.092 0.000 1.020 209 N HN 0.577 nan 8.380 nan 0.000 0.548 210 W N 1.127 122.421 121.300 -0.010 0.000 2.391 210 W HA 0.661 5.534 4.660 0.355 0.000 0.312 210 W C -0.506 175.999 176.519 -0.022 0.000 1.003 210 W CA -0.897 56.435 57.345 -0.022 0.000 1.375 210 W CB 0.570 30.022 29.460 -0.015 0.000 1.253 210 W HN 0.068 nan 8.180 nan 0.000 0.416 211 A N 5.273 127.893 122.820 -0.335 0.000 2.454 211 A HA 0.560 5.098 4.320 0.362 0.000 0.260 211 A C -0.101 177.281 177.584 -0.336 0.000 1.106 211 A CA 0.437 52.315 52.037 -0.265 0.000 0.780 211 A CB -0.233 18.619 19.000 -0.247 0.000 1.044 211 A HN 0.869 nan 8.150 nan 0.000 0.498 212 C N 1.075 120.288 119.300 -0.145 0.000 3.292 212 C HA 0.757 5.434 4.460 0.362 0.000 0.338 212 C C -0.973 173.971 174.990 -0.076 0.000 1.323 212 C CA -0.988 57.974 59.018 -0.092 0.000 1.232 212 C CB 1.490 29.298 27.740 0.112 0.000 1.517 212 C HN 0.802 nan 8.230 nan 0.000 0.470 213 N N 1.140 119.781 118.700 -0.099 0.000 2.707 213 N HA 0.421 5.378 4.740 0.362 0.000 0.249 213 N C -2.227 173.285 175.510 0.003 0.000 1.299 213 N CA -1.419 51.592 53.050 -0.065 0.000 0.769 213 N CB 1.583 39.984 38.487 -0.143 0.000 1.236 213 N HN 0.497 nan 8.380 nan 0.000 0.524 214 P HA -0.113 nan 4.420 nan 0.000 0.216 214 P C 1.212 178.553 177.300 0.069 0.000 1.153 214 P CA 1.164 64.301 63.100 0.063 0.000 0.848 214 P CB 0.355 32.093 31.700 0.063 0.000 0.787 215 E N 0.264 120.500 120.200 0.061 0.000 2.160 215 E HA -0.161 4.406 4.350 0.362 0.000 0.195 215 E C 1.560 178.209 176.600 0.080 0.000 0.991 215 E CA 1.221 57.658 56.400 0.061 0.000 0.810 215 E CB -1.181 28.548 29.700 0.048 0.000 0.742 215 E HN 0.343 nan 8.360 nan 0.000 0.466 216 L N 1.334 122.626 121.223 0.115 0.000 2.728 216 L HA 0.174 4.731 4.340 0.362 0.000 0.238 216 L C 0.291 177.313 176.870 0.254 0.000 1.143 216 L CA -0.279 54.664 54.840 0.173 0.000 0.937 216 L CB 0.353 42.561 42.059 0.249 0.000 1.225 216 L HN -0.156 nan 8.230 nan 0.000 0.507 217 T N 2.501 117.163 114.554 0.180 0.000 2.871 217 T HA 0.233 4.800 4.350 0.362 0.000 0.296 217 T C -0.392 174.434 174.700 0.209 0.000 0.998 217 T CA 0.669 62.880 62.100 0.185 0.000 1.162 217 T CB 0.691 69.639 68.868 0.133 0.000 0.947 217 T HN 0.008 nan 8.240 nan 0.000 0.536 218 L N 4.870 126.252 121.223 0.265 0.000 2.565 218 L HA 0.569 5.126 4.340 0.362 0.000 0.261 218 L C -1.842 175.206 176.870 0.296 0.000 0.932 218 L CA -0.456 54.541 54.840 0.262 0.000 0.878 218 L CB 1.634 43.859 42.059 0.276 0.000 1.333 218 L HN 0.521 nan 8.230 nan 0.000 0.409 219 I N 5.109 125.820 120.570 0.234 0.000 2.464 219 I HA 0.752 5.139 4.170 0.362 0.000 0.277 219 I C 0.135 176.281 176.117 0.049 0.000 1.040 219 I CA -0.105 61.301 61.300 0.176 0.000 1.153 219 I CB 1.512 39.624 38.000 0.188 0.000 1.274 219 I HN 0.682 nan 8.210 nan 0.000 0.469 220 A N 4.716 127.515 122.820 -0.035 0.000 2.312 220 A HA 0.864 5.401 4.320 0.362 0.000 0.328 220 A C -0.974 176.341 177.584 -0.449 0.000 1.158 220 A CA -0.445 51.483 52.037 -0.181 0.000 0.821 220 A CB 0.386 19.209 19.000 -0.293 0.000 1.170 220 A HN 0.675 nan 8.150 nan 0.000 0.490 221 H N 0.444 119.438 119.070 -0.128 0.000 2.589 221 H HA 0.581 5.319 4.556 0.303 0.000 0.351 221 H C -1.365 173.864 175.328 -0.165 0.000 1.074 221 H CA -0.516 55.478 56.048 -0.091 0.000 1.203 221 H CB 1.336 31.101 29.762 0.005 0.000 1.558 221 H HN 0.383 nan 8.280 nan 0.000 0.522 222 L N 5.140 126.318 121.223 -0.074 0.000 2.457 222 L HA 0.290 4.847 4.340 0.362 0.000 0.252 222 L C -1.724 175.104 176.870 -0.070 0.000 1.132 222 L CA -1.215 53.555 54.840 -0.117 0.000 0.938 222 L CB 1.443 43.379 42.059 -0.205 0.000 1.246 222 L HN 0.536 nan 8.230 nan 0.000 0.476 223 P HA -0.158 nan 4.420 nan 0.000 0.218 223 P C 0.582 177.838 177.300 -0.073 0.000 1.148 223 P CA 1.275 64.351 63.100 -0.040 0.000 0.822 223 P CB 0.457 32.150 31.700 -0.012 0.000 0.784 224 D N -0.183 120.180 120.400 -0.062 0.000 2.219 224 D HA -0.077 4.780 4.640 0.362 0.000 0.205 224 D C 1.810 178.055 176.300 -0.092 0.000 0.970 224 D CA 0.860 54.818 54.000 -0.070 0.000 0.851 224 D CB -0.094 40.678 40.800 -0.046 0.000 0.943 224 D HN 0.308 nan 8.370 nan 0.000 0.488 225 R N 0.210 120.647 120.500 -0.105 0.000 2.334 225 R HA 0.138 4.695 4.340 0.362 0.000 0.216 225 R C 0.007 176.201 176.300 -0.177 0.000 0.905 225 R CA -0.277 55.745 56.100 -0.131 0.000 1.064 225 R CB 0.559 30.785 30.300 -0.124 0.000 1.046 225 R HN -0.124 nan 8.270 nan 0.000 0.508 226 R N 1.243 121.639 120.500 -0.173 0.000 3.333 226 R HA -0.176 4.381 4.340 0.362 0.000 0.256 226 R C -1.114 175.039 176.300 -0.245 0.000 1.010 226 R CA 0.900 56.867 56.100 -0.220 0.000 0.680 226 R CB -2.560 27.576 30.300 -0.275 0.000 1.102 226 R HN 0.492 nan 8.270 nan 0.000 0.440 227 E N -0.045 120.048 120.200 -0.179 0.000 2.266 227 E HA 0.627 5.194 4.350 0.362 0.000 0.268 227 E C -0.141 176.402 176.600 -0.094 0.000 0.879 227 E CA -0.881 55.431 56.400 -0.147 0.000 0.762 227 E CB 1.919 31.543 29.700 -0.128 0.000 1.199 227 E HN 0.099 nan 8.360 nan 0.000 0.422 228 I N 3.368 123.914 120.570 -0.039 0.000 2.465 228 I HA 0.444 4.831 4.170 0.362 0.000 0.291 228 I C -0.701 175.449 176.117 0.055 0.000 1.014 228 I CA -0.578 60.703 61.300 -0.032 0.000 1.093 228 I CB 1.387 39.410 38.000 0.038 0.000 1.267 228 I HN 0.342 nan 8.210 nan 0.000 0.431 229 I N 4.869 125.466 120.570 0.046 0.000 2.468 229 I HA 0.303 4.690 4.170 0.362 0.000 0.284 229 I C -0.530 175.798 176.117 0.352 0.000 1.038 229 I CA -0.205 61.229 61.300 0.223 0.000 1.083 229 I CB 1.957 40.127 38.000 0.283 0.000 1.223 229 I HN 0.451 nan 8.210 nan 0.000 0.443 230 S N 6.608 122.599 115.700 0.485 0.000 2.532 230 S HA 0.708 5.396 4.470 0.362 0.000 0.299 230 S C -1.389 173.560 174.600 0.581 0.000 1.105 230 S CA -0.367 58.127 58.200 0.490 0.000 1.018 230 S CB 1.100 64.543 63.200 0.405 0.000 1.021 230 S HN 0.399 nan 8.310 nan 0.000 0.483 231 F N 3.388 123.486 119.950 0.248 0.000 2.556 231 F HA 0.667 5.408 4.527 0.357 0.000 0.314 231 F C 0.853 176.640 175.800 -0.022 0.000 1.106 231 F CA 0.584 58.561 58.000 -0.040 0.000 0.911 231 F CB 1.767 40.629 39.000 -0.230 0.000 1.190 231 F HN 0.834 nan 8.300 nan 0.000 0.448 232 G N 2.558 110.976 108.800 -0.636 0.000 2.284 232 G HA2 -0.198 3.979 3.960 0.362 0.000 0.230 232 G HA3 -0.198 3.979 3.960 0.362 0.000 0.230 232 G C -0.048 174.785 174.900 -0.112 0.000 1.021 232 G CA 0.129 44.993 45.100 -0.392 0.000 0.619 232 G HN 1.074 nan 8.290 nan 0.000 0.510 233 S N 0.205 115.933 115.700 0.046 0.000 2.473 233 S HA 0.626 5.313 4.470 0.362 0.000 0.307 233 S C 1.140 175.916 174.600 0.294 0.000 1.094 233 S CA 0.764 59.080 58.200 0.192 0.000 1.070 233 S CB 1.526 64.870 63.200 0.239 0.000 1.019 233 S HN 1.380 nan 8.310 nan 0.000 0.480 234 G N 2.611 111.585 108.800 0.290 0.000 3.088 234 G HA2 0.138 4.315 3.960 0.362 0.000 0.217 234 G HA3 0.138 4.315 3.960 0.362 0.000 0.217 234 G C -0.226 174.927 174.900 0.422 0.000 1.159 234 G CA -0.058 45.171 45.100 0.215 0.000 0.760 234 G HN 0.695 nan 8.290 nan 0.000 0.550 235 Y N 1.492 122.016 120.300 0.374 0.000 2.327 235 Y HA 0.426 5.189 4.550 0.356 0.000 0.336 235 Y C 1.485 177.525 175.900 0.234 0.000 1.035 235 Y CA 0.343 58.646 58.100 0.337 0.000 1.165 235 Y CB 1.065 39.654 38.460 0.215 0.000 1.181 235 Y HN 0.319 nan 8.280 nan 0.000 0.494 236 G N 4.060 112.840 108.800 -0.034 0.000 2.693 236 G HA2 -0.464 3.713 3.960 0.362 0.000 0.354 236 G HA3 -0.464 3.713 3.960 0.362 0.000 0.354 236 G C 1.408 176.265 174.900 -0.072 0.000 1.207 236 G CA 0.823 45.864 45.100 -0.099 0.000 0.958 236 G HN 1.286 nan 8.290 nan 0.000 0.560 237 G N 0.086 108.956 108.800 0.116 0.000 2.470 237 G HA2 -0.141 4.036 3.960 0.362 0.000 0.220 237 G HA3 -0.141 4.036 3.960 0.362 0.000 0.220 237 G C 1.497 176.485 174.900 0.146 0.000 1.121 237 G CA 1.551 46.721 45.100 0.116 0.000 0.766 237 G HN 0.604 nan 8.290 nan 0.000 0.553 238 N N 0.390 119.200 118.700 0.185 0.000 2.416 238 N HA -0.040 4.917 4.740 0.362 0.000 0.177 238 N C 2.277 177.858 175.510 0.119 0.000 1.036 238 N CA 1.385 54.550 53.050 0.192 0.000 0.901 238 N CB 0.238 38.872 38.487 0.245 0.000 0.976 238 N HN 0.510 nan 8.380 nan 0.000 0.444 239 S N -0.960 114.727 115.700 -0.021 0.000 2.619 239 S HA 0.219 4.906 4.470 0.362 0.000 0.238 239 S C 0.421 174.816 174.600 -0.343 0.000 1.068 239 S CA -0.333 57.648 58.200 -0.365 0.000 0.926 239 S CB 0.116 63.085 63.200 -0.385 0.000 0.864 239 S HN -0.075 nan 8.310 nan 0.000 0.493 240 L N 3.550 124.631 121.223 -0.235 0.000 2.375 240 L HA 0.443 5.000 4.340 0.362 0.000 0.276 240 L C 0.914 177.679 176.870 -0.175 0.000 1.162 240 L CA 0.003 54.676 54.840 -0.278 0.000 0.991 240 L CB 0.109 41.926 42.059 -0.404 0.000 1.315 240 L HN 0.325 nan 8.230 nan 0.000 0.431 241 L N 1.216 122.376 121.223 -0.106 0.000 2.275 241 L HA -0.056 4.501 4.340 0.362 0.000 0.215 241 L C 2.268 179.259 176.870 0.202 0.000 1.119 241 L CA 0.978 55.868 54.840 0.083 0.000 0.790 241 L CB -0.521 41.645 42.059 0.179 0.000 0.919 241 L HN 0.802 nan 8.230 nan 0.000 0.443 242 G N -0.125 108.677 108.800 0.004 0.000 2.422 242 G HA2 -0.203 3.974 3.960 0.362 0.000 0.218 242 G HA3 -0.203 3.974 3.960 0.362 0.000 0.218 242 G C 1.680 176.611 174.900 0.051 0.000 1.146 242 G CA 0.252 45.409 45.100 0.095 0.000 0.769 242 G HN 0.102 nan 8.290 nan 0.000 0.547 243 K N 0.314 120.682 120.400 -0.053 0.000 1.980 243 K HA -0.097 4.440 4.320 0.362 0.000 0.229 243 K C 2.469 179.078 176.600 0.015 0.000 1.026 243 K CA 1.304 57.550 56.287 -0.069 0.000 1.055 243 K CB -0.245 32.165 32.500 -0.150 0.000 0.741 243 K HN 0.081 nan 8.250 nan 0.000 0.448 244 K N -0.029 120.401 120.400 0.050 0.000 2.168 244 K HA 0.043 4.580 4.320 0.362 0.000 0.201 244 K C 2.468 179.207 176.600 0.231 0.000 1.049 244 K CA 0.625 56.944 56.287 0.054 0.000 0.974 244 K CB -0.694 31.872 32.500 0.109 0.000 0.792 244 K HN 0.275 nan 8.250 nan 0.000 0.463 245 C N 1.046 120.546 119.300 0.333 0.000 2.432 245 C HA -0.076 4.601 4.460 0.362 0.000 0.277 245 C C 2.538 177.829 174.990 0.500 0.000 1.249 245 C CA 0.398 59.718 59.018 0.502 0.000 1.725 245 C CB -0.832 27.154 27.740 0.409 0.000 2.028 245 C HN 0.344 nan 8.230 nan 0.000 0.477 246 F N 1.992 122.117 119.950 0.292 0.000 2.148 246 F HA 0.252 4.908 4.527 0.215 0.000 0.285 246 F C 2.374 178.404 175.800 0.383 0.000 1.092 246 F CA 1.242 59.439 58.000 0.327 0.000 1.218 246 F CB -1.240 37.986 39.000 0.377 0.000 1.059 246 F HN 0.113 nan 8.300 nan 0.000 0.490 247 A N 0.190 123.368 122.820 0.598 0.000 2.070 247 A HA -0.032 4.505 4.320 0.362 0.000 0.220 247 A C 2.186 180.130 177.584 0.601 0.000 1.159 247 A CA 1.781 54.182 52.037 0.607 0.000 0.656 247 A CB -0.688 18.427 19.000 0.190 0.000 0.800 247 A HN 0.499 nan 8.150 nan 0.000 0.453 248 L N -2.636 118.793 121.223 0.343 0.000 2.541 248 L HA 0.130 4.687 4.340 0.362 0.000 0.187 248 L C 2.701 179.704 176.870 0.221 0.000 1.098 248 L CA 0.141 55.122 54.840 0.234 0.000 0.846 248 L CB -0.381 41.674 42.059 -0.007 0.000 1.151 248 L HN 0.177 nan 8.230 nan 0.000 0.492 249 R N 0.333 120.947 120.500 0.191 0.000 2.055 249 R HA -0.031 4.526 4.340 0.362 0.000 0.228 249 R C 2.178 178.554 176.300 0.126 0.000 1.143 249 R CA 1.090 57.245 56.100 0.092 0.000 0.945 249 R CB -0.234 29.955 30.300 -0.184 0.000 0.841 249 R HN 0.172 nan 8.270 nan 0.000 0.429 250 I N 1.241 121.921 120.570 0.184 0.000 2.179 250 I HA -0.201 4.186 4.170 0.362 0.000 0.242 250 I C 2.604 178.776 176.117 0.092 0.000 1.088 250 I CA 1.388 62.763 61.300 0.123 0.000 1.357 250 I CB -1.375 36.669 38.000 0.073 0.000 1.051 250 I HN 0.170 nan 8.210 nan 0.000 0.409 251 A N 1.093 124.035 122.820 0.204 0.000 1.933 251 A HA -0.208 4.329 4.320 0.362 0.000 0.218 251 A C 2.492 179.947 177.584 -0.214 0.000 1.175 251 A CA 2.288 54.342 52.037 0.029 0.000 0.628 251 A CB -0.857 18.235 19.000 0.154 0.000 0.814 251 A HN 0.577 nan 8.150 nan 0.000 0.444 252 S N -1.016 114.687 115.700 0.005 0.000 2.442 252 S HA -0.121 4.566 4.470 0.362 0.000 0.236 252 S C 2.017 176.607 174.600 -0.017 0.000 1.007 252 S CA 1.059 59.304 58.200 0.075 0.000 0.965 252 S CB -0.300 63.116 63.200 0.360 0.000 0.773 252 S HN 0.478 nan 8.310 nan 0.000 0.504 253 R N 1.161 121.613 120.500 -0.080 0.000 2.080 253 R HA 0.283 4.840 4.340 0.362 0.000 0.222 253 R C 2.293 178.357 176.300 -0.394 0.000 1.107 253 R CA 0.906 56.837 56.100 -0.281 0.000 0.980 253 R CB -0.990 29.240 30.300 -0.117 0.000 0.879 253 R HN 0.489 nan 8.270 nan 0.000 0.439 254 L N 0.305 121.336 121.223 -0.318 0.000 2.042 254 L HA -0.191 4.366 4.340 0.362 0.000 0.210 254 L C 2.633 179.148 176.870 -0.593 0.000 1.076 254 L CA 1.624 56.284 54.840 -0.301 0.000 0.749 254 L CB -0.660 41.335 42.059 -0.106 0.000 0.893 254 L HN 0.157 nan 8.230 nan 0.000 0.432 255 A N -0.097 122.033 122.820 -1.149 0.000 1.902 255 A HA -0.246 4.291 4.320 0.362 0.000 0.217 255 A C 2.435 179.483 177.584 -0.895 0.000 1.181 255 A CA 1.888 52.890 52.037 -1.724 0.000 0.623 255 A CB -0.484 17.462 19.000 -1.757 0.000 0.818 255 A HN 0.325 nan 8.150 nan 0.000 0.443 256 K N -0.070 119.821 120.400 -0.848 0.000 2.032 256 K HA -0.225 4.313 4.320 0.362 0.000 0.209 256 K C 1.866 178.110 176.600 -0.594 0.000 1.048 256 K CA 1.922 57.589 56.287 -1.034 0.000 0.927 256 K CB -0.215 31.576 32.500 -1.182 0.000 0.712 256 K HN 0.657 nan 8.250 nan 0.000 0.441 257 E N 0.002 119.934 120.200 -0.448 0.000 2.106 257 E HA -0.164 4.403 4.350 0.362 0.000 0.192 257 E C 1.493 178.012 176.600 -0.134 0.000 0.984 257 E CA 1.281 57.531 56.400 -0.250 0.000 0.806 257 E CB 0.125 29.703 29.700 -0.203 0.000 0.750 257 E HN 0.425 nan 8.360 nan 0.000 0.458 258 E N -1.101 119.026 120.200 -0.122 0.000 2.476 258 E HA 0.129 4.697 4.350 0.362 0.000 0.199 258 E C 0.604 177.310 176.600 0.177 0.000 1.021 258 E CA 0.282 56.729 56.400 0.079 0.000 0.907 258 E CB 1.201 31.070 29.700 0.281 0.000 0.974 258 E HN 0.299 nan 8.360 nan 0.000 0.489 259 G N 1.405 110.270 108.800 0.109 0.000 2.130 259 G HA2 -0.179 3.998 3.960 0.362 0.000 0.216 259 G HA3 -0.179 3.998 3.960 0.362 0.000 0.216 259 G C -0.156 174.921 174.900 0.296 0.000 0.999 259 G CA 0.219 45.456 45.100 0.229 0.000 0.686 259 G HN 0.240 nan 8.290 nan 0.000 0.515 260 W N -1.019 120.355 121.300 0.123 0.000 3.459 260 W HA 0.851 5.716 4.660 0.340 0.000 0.340 260 W C -0.759 175.826 176.519 0.112 0.000 1.275 260 W CA -1.636 55.744 57.345 0.059 0.000 0.985 260 W CB 0.649 30.104 29.460 -0.008 0.000 1.745 260 W HN 0.105 nan 8.180 nan 0.000 0.627 261 L N 1.401 122.805 121.223 0.302 0.000 2.408 261 L HA 0.688 5.245 4.340 0.362 0.000 0.268 261 L C -0.374 176.678 176.870 0.303 0.000 0.986 261 L CA -0.996 53.932 54.840 0.147 0.000 0.820 261 L CB 1.823 43.900 42.059 0.030 0.000 1.303 261 L HN 0.554 nan 8.230 nan 0.000 0.411 262 A N 2.638 125.574 122.820 0.195 0.000 2.285 262 A HA 0.786 5.323 4.320 0.362 0.000 0.310 262 A C -0.766 177.108 177.584 0.483 0.000 1.266 262 A CA -0.508 51.745 52.037 0.360 0.000 0.832 262 A CB 0.680 19.725 19.000 0.074 0.000 1.163 262 A HN 0.591 nan 8.150 nan 0.000 0.499 263 E N 0.650 121.177 120.200 0.544 0.000 2.312 263 E HA 0.197 4.764 4.350 0.362 0.000 0.267 263 E C -0.934 175.926 176.600 0.433 0.000 0.894 263 E CA -0.595 56.123 56.400 0.530 0.000 0.773 263 E CB 1.495 31.560 29.700 0.609 0.000 1.241 263 E HN 0.779 nan 8.360 nan 0.000 0.432 264 H N 2.343 121.569 119.070 0.260 0.000 2.970 264 H HA 0.267 5.054 4.556 0.386 0.000 0.226 264 H C -0.627 174.787 175.328 0.143 0.000 1.909 264 H CA -0.010 56.116 56.048 0.131 0.000 1.388 264 H CB -0.141 29.690 29.762 0.114 0.000 1.773 264 H HN 0.179 nan 8.280 nan 0.000 0.559 265 M N 3.682 123.389 119.600 0.178 0.000 2.395 265 M HA 0.182 4.879 4.480 0.362 0.000 0.307 265 M C -0.724 175.598 176.300 0.036 0.000 1.091 265 M CA -1.318 54.019 55.300 0.062 0.000 0.919 265 M CB 2.552 35.237 32.600 0.142 0.000 1.662 265 M HN 0.283 nan 8.290 nan 0.000 0.440 266 L N 1.505 122.701 121.223 -0.045 0.000 2.453 266 L HA 0.697 5.255 4.340 0.362 0.000 0.261 266 L C -0.983 175.917 176.870 0.050 0.000 1.179 266 L CA 0.110 54.956 54.840 0.011 0.000 0.813 266 L CB 0.265 42.312 42.059 -0.019 0.000 1.110 266 L HN 0.580 nan 8.230 nan 0.000 0.466 267 I N 2.771 123.403 120.570 0.103 0.000 2.478 267 I HA 0.477 4.864 4.170 0.362 0.000 0.287 267 I C -0.931 175.293 176.117 0.179 0.000 1.042 267 I CA -0.667 60.720 61.300 0.145 0.000 1.067 267 I CB 1.821 39.915 38.000 0.158 0.000 1.233 267 I HN 0.681 nan 8.210 nan 0.000 0.431 268 L N 3.655 124.992 121.223 0.191 0.000 2.354 268 L HA 1.060 5.617 4.340 0.362 0.000 0.264 268 L C -0.227 176.748 176.870 0.175 0.000 1.008 268 L CA -0.451 54.495 54.840 0.177 0.000 0.819 268 L CB 1.746 43.875 42.059 0.116 0.000 1.339 268 L HN 0.502 nan 8.230 nan 0.000 0.420 269 G N 1.603 110.433 108.800 0.049 0.000 2.416 269 G HA2 0.684 4.861 3.960 0.362 0.000 0.324 269 G HA3 0.684 4.861 3.960 0.362 0.000 0.324 269 G C -1.405 173.422 174.900 -0.122 0.000 1.194 269 G CA -0.532 44.368 45.100 -0.333 0.000 0.922 269 G HN 0.918 nan 8.290 nan 0.000 0.467 270 I N 1.601 122.136 120.570 -0.059 0.000 2.466 270 I HA 0.561 4.948 4.170 0.362 0.000 0.289 270 I C -0.616 175.620 176.117 0.198 0.000 1.026 270 I CA -0.476 60.914 61.300 0.150 0.000 1.078 270 I CB 2.120 40.300 38.000 0.301 0.000 1.249 270 I HN 0.394 nan 8.210 nan 0.000 0.429 271 T N 6.141 120.758 114.554 0.104 0.000 2.797 271 T HA 0.359 4.926 4.350 0.362 0.000 0.279 271 T C -0.257 174.197 174.700 -0.409 0.000 0.991 271 T CA -0.699 61.367 62.100 -0.056 0.000 0.979 271 T CB 1.018 69.842 68.868 -0.074 0.000 0.943 271 T HN 0.725 nan 8.240 nan 0.000 0.444 272 N N 2.867 121.046 118.700 -0.869 0.000 2.379 272 N HA 0.284 5.241 4.740 0.362 0.000 0.260 272 N C -2.402 172.488 175.510 -1.034 0.000 1.254 272 N CA -2.310 49.669 53.050 -1.785 0.000 0.958 272 N CB -0.039 37.249 38.487 -1.999 0.000 1.208 272 N HN 0.110 nan 8.380 nan 0.000 0.532 273 P HA -0.003 nan 4.420 nan 0.000 0.236 273 P C -0.230 176.878 177.300 -0.320 0.000 1.172 273 P CA 1.108 63.902 63.100 -0.510 0.000 0.759 273 P CB 0.086 31.555 31.700 -0.384 0.000 0.843 274 E N -1.482 118.519 120.200 -0.333 0.000 2.558 274 E HA 0.265 4.832 4.350 0.362 0.000 0.205 274 E C 1.083 177.599 176.600 -0.141 0.000 1.006 274 E CA 0.139 56.427 56.400 -0.186 0.000 0.961 274 E CB -0.029 29.587 29.700 -0.141 0.000 1.044 274 E HN 0.110 nan 8.360 nan 0.000 0.465 275 G N 2.445 111.142 108.800 -0.172 0.000 2.179 275 G HA2 -0.335 3.842 3.960 0.362 0.000 0.260 275 G HA3 -0.335 3.842 3.960 0.362 0.000 0.260 275 G C 0.390 175.258 174.900 -0.054 0.000 0.977 275 G CA 0.291 45.330 45.100 -0.102 0.000 0.641 275 G HN 0.198 nan 8.290 nan 0.000 0.533 276 K N 0.843 121.221 120.400 -0.037 0.000 2.339 276 K HA 0.419 4.956 4.320 0.362 0.000 0.286 276 K C 0.071 176.793 176.600 0.203 0.000 1.050 276 K CA -0.212 56.142 56.287 0.111 0.000 0.956 276 K CB 0.410 33.054 32.500 0.241 0.000 0.990 276 K HN 0.255 nan 8.250 nan 0.000 0.475 277 K N 4.024 124.513 120.400 0.147 0.000 2.292 277 K HA 0.282 4.819 4.320 0.362 0.000 0.257 277 K C -1.165 175.463 176.600 0.046 0.000 0.940 277 K CA -0.658 55.691 56.287 0.104 0.000 0.811 277 K CB 1.114 33.605 32.500 -0.015 0.000 1.120 277 K HN 0.411 nan 8.250 nan 0.000 0.428 278 K N 2.688 123.101 120.400 0.022 0.000 2.375 278 K HA 0.315 4.853 4.320 0.362 0.000 0.249 278 K C -1.416 175.112 176.600 -0.120 0.000 0.942 278 K CA -0.866 55.381 56.287 -0.067 0.000 0.806 278 K CB 1.585 33.944 32.500 -0.237 0.000 1.227 278 K HN 0.384 nan 8.250 nan 0.000 0.430 279 Y N 1.569 121.906 120.300 0.061 0.000 2.342 279 Y HA 0.435 5.202 4.550 0.362 0.000 0.334 279 Y C -0.080 175.865 175.900 0.076 0.000 1.067 279 Y CA -0.719 57.428 58.100 0.079 0.000 1.128 279 Y CB 1.083 39.583 38.460 0.068 0.000 1.200 279 Y HN 0.184 nan 8.280 nan 0.000 0.464 280 L N 2.798 124.154 121.223 0.223 0.000 2.354 280 L HA 0.914 5.472 4.340 0.362 0.000 0.269 280 L C -0.526 176.429 176.870 0.141 0.000 1.005 280 L CA -1.181 53.758 54.840 0.164 0.000 0.819 280 L CB 2.048 44.188 42.059 0.134 0.000 1.311 280 L HN 0.682 nan 8.230 nan 0.000 0.423 281 A N 1.694 124.574 122.820 0.100 0.000 2.350 281 A HA 0.951 5.488 4.320 0.362 0.000 0.324 281 A C -0.871 176.679 177.584 -0.056 0.000 1.118 281 A CA -0.456 51.613 52.037 0.054 0.000 0.783 281 A CB 1.713 20.771 19.000 0.097 0.000 1.236 281 A HN 0.769 nan 8.150 nan 0.000 0.457 282 A N 0.739 123.461 122.820 -0.163 0.000 2.398 282 A HA 0.793 5.330 4.320 0.362 0.000 0.301 282 A C -0.337 176.926 177.584 -0.536 0.000 1.041 282 A CA 0.094 51.871 52.037 -0.434 0.000 0.711 282 A CB 1.338 19.964 19.000 -0.623 0.000 1.240 282 A HN 2.269 nan 8.150 nan 0.000 0.420 283 A N 2.207 124.739 122.820 -0.479 0.000 2.277 283 A HA 0.772 5.309 4.320 0.362 0.000 0.318 283 A C -1.220 176.278 177.584 -0.143 0.000 1.339 283 A CA -0.249 51.666 52.037 -0.203 0.000 0.875 283 A CB -0.147 18.986 19.000 0.221 0.000 1.158 283 A HN 0.643 nan 8.150 nan 0.000 0.514 284 F N 1.841 121.784 119.950 -0.012 0.000 2.546 284 F HA 0.601 5.346 4.527 0.364 0.000 0.320 284 F C -2.364 173.422 175.800 -0.023 0.000 1.076 284 F CA -2.982 55.013 58.000 -0.009 0.000 0.928 284 F CB 1.259 40.267 39.000 0.013 0.000 1.189 284 F HN 0.268 nan 8.300 nan 0.000 0.465 285 P HA 0.061 nan 4.420 nan 0.000 0.267 285 P C -0.504 176.913 177.300 0.195 0.000 1.200 285 P CA -0.096 63.115 63.100 0.185 0.000 0.772 285 P CB 0.363 32.122 31.700 0.099 0.000 0.855 286 S N 1.903 117.788 115.700 0.310 0.000 2.702 286 S HA 0.182 4.870 4.470 0.362 0.000 0.314 286 S C 0.502 175.188 174.600 0.143 0.000 1.244 286 S CA 0.854 59.227 58.200 0.290 0.000 1.058 286 S CB -0.927 62.469 63.200 0.326 0.000 0.783 286 S HN 0.766 nan 8.310 nan 0.000 0.503 287 A N 1.639 124.527 122.820 0.112 0.000 2.108 287 A HA -0.169 4.368 4.320 0.362 0.000 0.270 287 A C 0.874 178.484 177.584 0.043 0.000 1.390 287 A CA 0.373 52.444 52.037 0.055 0.000 0.729 287 A CB -1.865 17.145 19.000 0.016 0.000 1.185 287 A HN 1.201 nan 8.150 nan 0.000 0.318 288 C N -0.152 119.202 119.300 0.089 0.000 4.417 288 C HA 0.597 5.275 4.460 0.362 0.000 0.542 288 C C 1.502 176.609 174.990 0.195 0.000 1.448 288 C CA 1.152 60.220 59.018 0.084 0.000 2.438 288 C CB 0.213 28.000 27.740 0.078 0.000 3.588 288 C HN 2.745 nan 8.230 nan 0.000 0.564 289 G N 1.817 110.753 108.800 0.227 0.000 2.325 289 G HA2 -0.035 4.142 3.960 0.362 0.000 0.214 289 G HA3 -0.035 4.142 3.960 0.362 0.000 0.214 289 G C 0.400 175.509 174.900 0.348 0.000 1.087 289 G CA 0.192 45.440 45.100 0.247 0.000 0.811 289 G HN 0.375 nan 8.290 nan 0.000 0.486 290 K N -0.364 120.218 120.400 0.304 0.000 2.031 290 K HA -0.032 4.505 4.320 0.362 0.000 0.205 290 K C 2.530 179.208 176.600 0.129 0.000 1.049 290 K CA 1.772 58.203 56.287 0.240 0.000 0.939 290 K CB -0.138 32.424 32.500 0.104 0.000 0.717 290 K HN 0.312 nan 8.250 nan 0.000 0.438 291 T N 1.569 116.166 114.554 0.072 0.000 2.788 291 T HA -0.101 4.466 4.350 0.362 0.000 0.268 291 T C 1.518 176.219 174.700 0.001 0.000 1.044 291 T CA 1.487 63.579 62.100 -0.013 0.000 1.139 291 T CB -0.314 68.541 68.868 -0.021 0.000 0.867 291 T HN 0.198 nan 8.240 nan 0.000 0.454 292 N N 1.091 119.830 118.700 0.065 0.000 2.069 292 N HA -0.027 4.930 4.740 0.362 0.000 0.191 292 N C 1.604 177.146 175.510 0.053 0.000 1.031 292 N CA 0.689 53.779 53.050 0.067 0.000 0.852 292 N CB -0.509 38.048 38.487 0.116 0.000 1.018 292 N HN 0.203 nan 8.380 nan 0.000 0.423 293 L N 0.245 121.534 121.223 0.111 0.000 2.072 293 L HA 0.123 4.680 4.340 0.362 0.000 0.205 293 L C 1.931 178.850 176.870 0.082 0.000 1.079 293 L CA 1.180 56.094 54.840 0.124 0.000 0.752 293 L CB -0.619 41.631 42.059 0.318 0.000 0.906 293 L HN 0.146 nan 8.230 nan 0.000 0.436 294 A N -0.959 121.900 122.820 0.065 0.000 2.015 294 A HA -0.119 4.418 4.320 0.362 0.000 0.219 294 A C 1.962 179.541 177.584 -0.009 0.000 1.163 294 A CA 1.822 53.878 52.037 0.032 0.000 0.646 294 A CB -0.446 18.561 19.000 0.013 0.000 0.806 294 A HN 0.520 nan 8.150 nan 0.000 0.448 295 M N -0.346 119.230 119.600 -0.041 0.000 2.496 295 M HA 0.255 4.952 4.480 0.362 0.000 0.330 295 M C 0.310 176.585 176.300 -0.042 0.000 1.133 295 M CA -0.278 54.981 55.300 -0.069 0.000 0.964 295 M CB 0.060 32.574 32.600 -0.143 0.000 1.401 295 M HN 0.586 nan 8.290 nan 0.000 0.520 296 M N 0.100 119.689 119.600 -0.019 0.000 2.252 296 M HA 0.219 4.916 4.480 0.362 0.000 0.333 296 M C -0.487 175.800 176.300 -0.022 0.000 1.111 296 M CA 0.731 56.017 55.300 -0.023 0.000 1.140 296 M CB 0.342 32.926 32.600 -0.028 0.000 1.538 296 M HN -0.030 nan 8.290 nan 0.000 0.448 297 N N 4.500 123.180 118.700 -0.032 0.000 2.437 297 N HA 0.439 5.396 4.740 0.362 0.000 0.243 297 N C -2.510 172.984 175.510 -0.027 0.000 1.041 297 N CA -1.219 51.816 53.050 -0.025 0.000 0.940 297 N CB 0.477 38.943 38.487 -0.035 0.000 1.133 297 N HN 0.541 nan 8.380 nan 0.000 0.506 298 P HA 0.059 nan 4.420 nan 0.000 0.268 298 P C 0.757 178.045 177.300 -0.020 0.000 1.205 298 P CA -0.110 62.978 63.100 -0.020 0.000 0.771 298 P CB 0.797 32.514 31.700 0.027 0.000 0.858 299 T N -0.476 114.047 114.554 -0.053 0.000 3.054 299 T HA 0.098 4.666 4.350 0.362 0.000 0.259 299 T C 0.987 175.674 174.700 -0.022 0.000 1.092 299 T CA 0.135 62.206 62.100 -0.048 0.000 1.121 299 T CB -0.350 68.469 68.868 -0.080 0.000 0.912 299 T HN 0.196 nan 8.240 nan 0.000 0.489 300 L N 2.910 124.116 121.223 -0.029 0.000 2.360 300 L HA 0.344 4.901 4.340 0.362 0.000 0.276 300 L C -2.316 174.654 176.870 0.167 0.000 1.121 300 L CA -2.237 52.619 54.840 0.027 0.000 0.845 300 L CB 0.192 42.178 42.059 -0.122 0.000 1.143 300 L HN 0.005 nan 8.230 nan 0.000 0.452 301 P HA 0.077 nan 4.420 nan 0.000 0.268 301 P C 0.816 178.214 177.300 0.163 0.000 1.205 301 P CA 0.420 63.593 63.100 0.121 0.000 0.771 301 P CB 0.879 32.621 31.700 0.071 0.000 0.858 302 G N -0.008 108.831 108.800 0.065 0.000 2.205 302 G HA2 -0.226 3.951 3.960 0.362 0.000 0.261 302 G HA3 -0.226 3.951 3.960 0.362 0.000 0.261 302 G C -0.440 174.363 174.900 -0.162 0.000 0.980 302 G CA -0.478 44.584 45.100 -0.063 0.000 0.632 302 G HN 0.394 nan 8.290 nan 0.000 0.533 303 W N 1.177 122.436 121.300 -0.068 0.000 2.449 303 W HA 0.691 5.567 4.660 0.361 0.000 0.331 303 W C 0.562 177.047 176.519 -0.056 0.000 1.119 303 W CA -0.294 57.003 57.345 -0.080 0.000 1.240 303 W CB 1.152 30.561 29.460 -0.084 0.000 1.251 303 W HN 0.296 nan 8.180 nan 0.000 0.576 304 K N 1.394 121.902 120.400 0.180 0.000 2.498 304 K HA 0.693 5.230 4.320 0.362 0.000 0.254 304 K C -1.671 174.998 176.600 0.116 0.000 0.933 304 K CA -0.922 55.430 56.287 0.107 0.000 0.806 304 K CB 2.102 34.626 32.500 0.039 0.000 1.301 304 K HN 0.411 nan 8.250 nan 0.000 0.432 305 V N -0.324 119.641 119.914 0.084 0.000 2.628 305 V HA 0.651 4.988 4.120 0.362 0.000 0.306 305 V C -1.206 174.915 176.094 0.046 0.000 1.045 305 V CA -0.341 62.000 62.300 0.069 0.000 0.905 305 V CB 1.555 33.418 31.823 0.066 0.000 0.997 305 V HN 0.993 nan 8.190 nan 0.000 0.436 306 E N 3.195 123.424 120.200 0.048 0.000 2.293 306 E HA 0.480 5.047 4.350 0.362 0.000 0.270 306 E C -1.517 175.138 176.600 0.091 0.000 0.879 306 E CA -0.626 55.811 56.400 0.060 0.000 0.756 306 E CB 2.261 32.004 29.700 0.071 0.000 1.208 306 E HN 0.966 nan 8.360 nan 0.000 0.428 307 C N 3.247 122.597 119.300 0.084 0.000 2.347 307 C HA 0.307 4.984 4.460 0.362 0.000 0.353 307 C C 1.381 176.476 174.990 0.175 0.000 1.273 307 C CA -0.265 58.818 59.018 0.107 0.000 1.861 307 C CB -0.364 27.405 27.740 0.048 0.000 2.420 307 C HN 0.708 nan 8.230 nan 0.000 0.542 308 V N 5.283 125.336 119.914 0.233 0.000 2.672 308 V HA 0.392 4.729 4.120 0.362 0.000 0.242 308 V C 1.368 177.627 176.094 0.274 0.000 1.059 308 V CA 1.342 63.818 62.300 0.293 0.000 1.081 308 V CB -0.295 31.698 31.823 0.283 0.000 0.752 308 V HN 1.062 nan 8.190 nan 0.000 0.472 309 G N -0.054 108.890 108.800 0.240 0.000 2.646 309 G HA2 0.475 4.652 3.960 0.362 0.000 0.291 309 G HA3 0.475 4.652 3.960 0.362 0.000 0.291 309 G C -1.022 174.014 174.900 0.227 0.000 1.445 309 G CA 0.438 45.693 45.100 0.259 0.000 0.814 309 G HN 0.124 nan 8.290 nan 0.000 0.495 310 D N -1.341 119.218 120.400 0.265 0.000 2.503 310 D HA 0.193 5.050 4.640 0.362 0.000 0.218 310 D C 0.309 176.680 176.300 0.118 0.000 1.183 310 D CA 0.188 54.275 54.000 0.145 0.000 0.827 310 D CB 1.331 42.169 40.800 0.062 0.000 1.034 310 D HN 0.333 nan 8.370 nan 0.000 0.510 311 D N -0.688 119.790 120.400 0.130 0.000 2.119 311 D HA 0.184 5.041 4.640 0.362 0.000 0.311 311 D C -0.314 176.078 176.300 0.152 0.000 1.155 311 D CA 0.232 54.309 54.000 0.129 0.000 1.036 311 D CB 1.034 41.926 40.800 0.153 0.000 1.855 311 D HN -0.023 nan 8.370 nan 0.000 0.523 312 I N 1.622 122.257 120.570 0.107 0.000 2.545 312 I HA 0.715 5.102 4.170 0.362 0.000 0.292 312 I C -0.710 175.464 176.117 0.094 0.000 1.040 312 I CA -1.132 60.236 61.300 0.113 0.000 1.068 312 I CB 1.335 39.347 38.000 0.020 0.000 1.251 312 I HN 0.073 nan 8.210 nan 0.000 0.424 313 A N 5.666 128.616 122.820 0.217 0.000 2.356 313 A HA 0.751 5.288 4.320 0.362 0.000 0.310 313 A C -1.912 175.979 177.584 0.511 0.000 1.075 313 A CA -0.423 51.762 52.037 0.246 0.000 0.746 313 A CB 1.026 20.168 19.000 0.237 0.000 1.221 313 A HN 0.587 nan 8.150 nan 0.000 0.443 314 W N 2.130 123.533 121.300 0.172 0.000 2.417 314 W HA 0.695 5.513 4.660 0.263 0.000 0.315 314 W C -0.340 176.259 176.519 0.133 0.000 1.045 314 W CA -1.126 56.368 57.345 0.249 0.000 1.221 314 W CB 1.190 30.736 29.460 0.142 0.000 1.309 314 W HN 0.504 nan 8.180 nan 0.000 0.453 315 M N 3.545 123.388 119.600 0.405 0.000 2.327 315 M HA 0.408 5.106 4.480 0.362 0.000 0.298 315 M C -0.447 175.921 176.300 0.113 0.000 1.065 315 M CA -0.722 54.669 55.300 0.151 0.000 0.916 315 M CB 2.965 35.607 32.600 0.069 0.000 1.630 315 M HN 0.252 nan 8.290 nan 0.000 0.442 316 K N 2.499 122.878 120.400 -0.034 0.000 2.513 316 K HA 0.536 5.073 4.320 0.362 0.000 0.251 316 K C -1.658 174.880 176.600 -0.104 0.000 0.939 316 K CA -0.541 55.743 56.287 -0.004 0.000 0.793 316 K CB 1.850 34.339 32.500 -0.019 0.000 1.241 316 K HN 0.475 nan 8.250 nan 0.000 0.431 317 F N 3.329 123.279 119.950 -0.000 0.000 2.538 317 F HA 0.011 4.757 4.527 0.364 0.000 0.371 317 F C 1.135 176.917 175.800 -0.030 0.000 1.087 317 F CA 0.366 58.346 58.000 -0.033 0.000 1.250 317 F CB 0.443 39.403 39.000 -0.066 0.000 1.110 317 F HN 0.603 nan 8.300 nan 0.000 0.570 318 D N 1.881 122.366 120.400 0.142 0.000 2.478 318 D HA 0.365 5.222 4.640 0.362 0.000 0.269 318 D C 0.925 177.265 176.300 0.067 0.000 1.232 318 D CA -0.303 53.738 54.000 0.069 0.000 1.059 318 D CB 0.348 41.161 40.800 0.023 0.000 1.104 318 D HN 0.448 nan 8.370 nan 0.000 0.566 319 A N -0.856 121.981 122.820 0.030 0.000 2.019 319 A HA -0.167 4.370 4.320 0.362 0.000 0.219 319 A C 1.838 179.427 177.584 0.009 0.000 1.164 319 A CA 1.064 53.110 52.037 0.014 0.000 0.644 319 A CB -0.592 18.410 19.000 0.003 0.000 0.805 319 A HN 0.466 nan 8.150 nan 0.000 0.449 320 Q N -1.571 118.239 119.800 0.018 0.000 2.451 320 Q HA 0.149 4.706 4.340 0.362 0.000 0.206 320 Q C 1.244 177.258 176.000 0.022 0.000 0.947 320 Q CA 0.842 56.653 55.803 0.013 0.000 0.937 320 Q CB 0.163 28.909 28.738 0.013 0.000 1.025 320 Q HN 0.993 nan 8.270 nan 0.000 0.511 321 G N 1.152 109.984 108.800 0.053 0.000 2.159 321 G HA2 -0.210 3.967 3.960 0.362 0.000 0.227 321 G HA3 -0.210 3.967 3.960 0.362 0.000 0.227 321 G C 0.041 175.080 174.900 0.231 0.000 0.986 321 G CA -0.227 44.920 45.100 0.079 0.000 0.651 321 G HN 0.305 nan 8.290 nan 0.000 0.523 322 N N 0.038 118.843 118.700 0.175 0.000 2.529 322 N HA 0.389 5.347 4.740 0.362 0.000 0.278 322 N C -0.359 175.184 175.510 0.054 0.000 1.146 322 N CA -0.482 52.645 53.050 0.129 0.000 0.980 322 N CB 1.349 39.862 38.487 0.044 0.000 1.124 322 N HN 0.162 nan 8.380 nan 0.000 0.458 323 L N 4.329 125.468 121.223 -0.140 0.000 2.312 323 L HA 0.182 4.739 4.340 0.362 0.000 0.287 323 L C -0.062 176.656 176.870 -0.253 0.000 1.091 323 L CA 0.002 54.517 54.840 -0.543 0.000 0.846 323 L CB -0.253 41.395 42.059 -0.684 0.000 1.219 323 L HN 0.307 nan 8.230 nan 0.000 0.439 324 R N 4.418 124.793 120.500 -0.207 0.000 2.265 324 R HA 0.721 5.278 4.340 0.362 0.000 0.319 324 R C -0.625 175.613 176.300 -0.103 0.000 1.006 324 R CA -0.371 55.651 56.100 -0.130 0.000 0.880 324 R CB 1.443 31.682 30.300 -0.101 0.000 1.077 324 R HN 0.696 nan 8.270 nan 0.000 0.454 325 A N 4.307 127.076 122.820 -0.085 0.000 2.365 325 A HA 0.710 5.247 4.320 0.362 0.000 0.318 325 A C -0.142 177.418 177.584 -0.040 0.000 1.091 325 A CA -0.864 51.160 52.037 -0.022 0.000 0.763 325 A CB 1.016 20.025 19.000 0.015 0.000 1.248 325 A HN 0.783 nan 8.150 nan 0.000 0.442 326 I N -0.658 119.913 120.570 0.001 0.000 2.740 326 I HA 0.620 5.007 4.170 0.362 0.000 0.303 326 I C -0.413 175.677 176.117 -0.044 0.000 1.044 326 I CA -1.006 60.269 61.300 -0.043 0.000 1.064 326 I CB 2.112 40.061 38.000 -0.085 0.000 1.249 326 I HN 0.501 nan 8.210 nan 0.000 0.433 327 N N 5.558 124.232 118.700 -0.044 0.000 2.406 327 N HA 0.364 5.321 4.740 0.362 0.000 0.251 327 N C -1.759 173.616 175.510 -0.225 0.000 1.069 327 N CA -2.531 50.480 53.050 -0.064 0.000 0.947 327 N CB 0.992 39.540 38.487 0.102 0.000 1.111 327 N HN 0.457 nan 8.380 nan 0.000 0.497 328 P HA -0.017 nan 4.420 nan 0.000 0.233 328 P C -0.495 176.545 177.300 -0.433 0.000 1.167 328 P CA 0.809 63.469 63.100 -0.734 0.000 0.770 328 P CB 0.477 31.205 31.700 -1.620 0.000 0.837 329 E N -0.104 119.939 120.200 -0.261 0.000 2.280 329 E HA 0.205 4.772 4.350 0.362 0.000 0.264 329 E C 0.347 176.916 176.600 -0.052 0.000 1.064 329 E CA -0.511 55.788 56.400 -0.168 0.000 0.900 329 E CB 0.877 30.491 29.700 -0.143 0.000 1.123 329 E HN 0.012 nan 8.360 nan 0.000 0.418 330 N N -0.289 118.367 118.700 -0.072 0.000 2.184 330 N HA 0.112 5.069 4.740 0.362 0.000 0.206 330 N C -0.201 175.218 175.510 -0.153 0.000 1.151 330 N CA -0.076 52.984 53.050 0.016 0.000 0.878 330 N CB 0.726 39.201 38.487 -0.019 0.000 1.014 330 N HN 0.474 nan 8.380 nan 0.000 0.512 331 G N -0.199 108.420 108.800 -0.301 0.000 2.663 331 G HA2 0.509 4.686 3.960 0.362 0.000 0.299 331 G HA3 0.509 4.686 3.960 0.362 0.000 0.299 331 G C -1.930 172.677 174.900 -0.488 0.000 1.372 331 G CA -0.530 44.295 45.100 -0.459 0.000 0.781 331 G HN 0.028 nan 8.290 nan 0.000 0.491 332 F N -0.035 119.930 119.950 0.026 0.000 2.467 332 F HA 0.571 5.313 4.527 0.359 0.000 0.336 332 F C -0.629 175.227 175.800 0.092 0.000 1.123 332 F CA -1.159 56.883 58.000 0.070 0.000 0.964 332 F CB 2.149 41.225 39.000 0.126 0.000 1.136 332 F HN 0.275 nan 8.300 nan 0.000 0.447 333 F N 3.103 123.064 119.950 0.018 0.000 2.334 333 F HA 0.669 5.423 4.527 0.378 0.000 0.343 333 F C 0.344 175.941 175.800 -0.337 0.000 1.136 333 F CA -0.891 57.006 58.000 -0.172 0.000 1.237 333 F CB 0.045 38.971 39.000 -0.122 0.000 1.525 333 F HN 0.479 nan 8.300 nan 0.000 0.528 334 G N 2.075 110.287 108.800 -0.981 0.000 2.437 334 G HA2 0.427 4.604 3.960 0.362 0.000 0.319 334 G HA3 0.427 4.604 3.960 0.362 0.000 0.319 334 G C -1.033 173.115 174.900 -1.253 0.000 1.158 334 G CA -0.746 43.715 45.100 -1.064 0.000 0.899 334 G HN 0.306 nan 8.290 nan 0.000 0.502 335 V N 1.889 121.419 119.914 -0.641 0.000 2.521 335 V HA 0.381 4.718 4.120 0.362 0.000 0.286 335 V C 1.349 177.159 176.094 -0.473 0.000 1.034 335 V CA 0.606 62.618 62.300 -0.480 0.000 1.045 335 V CB 0.668 32.346 31.823 -0.242 0.000 0.974 335 V HN 0.993 nan 8.190 nan 0.000 0.480 336 A N 8.767 131.260 122.820 -0.546 0.000 1.854 336 A HA 0.218 4.755 4.320 0.362 0.000 0.214 336 A C -1.377 175.512 177.584 -1.159 0.000 1.192 336 A CA 0.634 52.183 52.037 -0.813 0.000 0.611 336 A CB -1.294 17.183 19.000 -0.871 0.000 0.832 336 A HN 0.764 nan 8.150 nan 0.000 0.442 337 P HA 0.299 nan 4.420 nan 0.000 0.265 337 P C 0.756 177.951 177.300 -0.176 0.000 1.193 337 P CA 1.687 64.555 63.100 -0.387 0.000 0.765 337 P CB 0.619 32.229 31.700 -0.150 0.000 0.823 338 G N 1.530 110.357 108.800 0.046 0.000 2.195 338 G HA2 -0.208 3.970 3.960 0.362 0.000 0.246 338 G HA3 -0.208 3.970 3.960 0.362 0.000 0.246 338 G C 0.183 175.150 174.900 0.111 0.000 0.984 338 G CA -0.011 45.140 45.100 0.086 0.000 0.633 338 G HN 0.585 nan 8.290 nan 0.000 0.525 339 T N 1.782 116.418 114.554 0.137 0.000 2.761 339 T HA 0.590 5.157 4.350 0.362 0.000 0.296 339 T C 0.395 175.281 174.700 0.309 0.000 0.934 339 T CA 0.717 62.929 62.100 0.188 0.000 1.091 339 T CB 1.450 70.400 68.868 0.137 0.000 0.896 339 T HN 1.421 nan 8.240 nan 0.000 0.515 340 S N 1.634 117.392 115.700 0.098 0.000 2.638 340 S HA 0.438 5.125 4.470 0.362 0.000 0.274 340 S C 1.014 175.579 174.600 -0.059 0.000 1.157 340 S CA -0.876 57.331 58.200 0.013 0.000 0.826 340 S CB 0.867 64.041 63.200 -0.043 0.000 1.139 340 S HN 0.190 nan 8.310 nan 0.000 0.474 341 V N 1.818 121.684 119.914 -0.081 0.000 2.332 341 V HA -0.160 4.177 4.120 0.362 0.000 0.248 341 V C 2.461 178.474 176.094 -0.135 0.000 1.055 341 V CA 2.211 64.454 62.300 -0.094 0.000 1.038 341 V CB -0.978 30.795 31.823 -0.083 0.000 0.651 341 V HN 0.872 nan 8.190 nan 0.000 0.450 342 K N 0.026 120.319 120.400 -0.179 0.000 2.186 342 K HA -0.068 4.469 4.320 0.362 0.000 0.202 342 K C 2.239 178.580 176.600 -0.431 0.000 1.052 342 K CA 1.584 57.711 56.287 -0.267 0.000 0.965 342 K CB -0.209 32.129 32.500 -0.269 0.000 0.746 342 K HN 0.715 nan 8.250 nan 0.000 0.457 343 T N -1.813 112.490 114.554 -0.419 0.000 3.009 343 T HA 0.017 4.584 4.350 0.362 0.000 0.258 343 T C 0.847 175.426 174.700 -0.202 0.000 1.063 343 T CA 0.443 62.233 62.100 -0.516 0.000 1.139 343 T CB 0.150 68.826 68.868 -0.320 0.000 0.890 343 T HN -0.093 nan 8.240 nan 0.000 0.471 344 N N 1.332 119.952 118.700 -0.133 0.000 2.785 344 N HA 0.268 5.225 4.740 0.362 0.000 0.224 344 N C -2.597 172.861 175.510 -0.086 0.000 1.448 344 N CA -1.514 51.487 53.050 -0.081 0.000 0.748 344 N CB 1.678 40.140 38.487 -0.042 0.000 1.385 344 N HN 0.031 nan 8.380 nan 0.000 0.538 345 P HA -0.052 nan 4.420 nan 0.000 0.218 345 P C 0.848 178.102 177.300 -0.077 0.000 1.149 345 P CA 0.948 64.000 63.100 -0.081 0.000 0.817 345 P CB 0.616 32.269 31.700 -0.078 0.000 0.785 346 N N 0.330 118.980 118.700 -0.082 0.000 2.188 346 N HA -0.085 4.872 4.740 0.362 0.000 0.184 346 N C 1.890 177.330 175.510 -0.118 0.000 1.018 346 N CA 1.459 54.457 53.050 -0.086 0.000 0.858 346 N CB -0.756 37.681 38.487 -0.083 0.000 0.989 346 N HN 0.115 nan 8.380 nan 0.000 0.426 347 A N 1.401 124.132 122.820 -0.149 0.000 1.930 347 A HA -0.054 4.483 4.320 0.362 0.000 0.217 347 A C 2.114 179.560 177.584 -0.229 0.000 1.175 347 A CA 0.717 52.621 52.037 -0.222 0.000 0.627 347 A CB -0.310 18.557 19.000 -0.222 0.000 0.815 347 A HN 0.074 nan 8.150 nan 0.000 0.443 348 I N 0.271 120.756 120.570 -0.141 0.000 2.179 348 I HA -0.240 4.147 4.170 0.362 0.000 0.242 348 I C 2.184 178.252 176.117 -0.083 0.000 1.088 348 I CA 1.772 63.016 61.300 -0.094 0.000 1.357 348 I CB -1.297 36.671 38.000 -0.054 0.000 1.051 348 I HN 0.363 nan 8.210 nan 0.000 0.409 349 K N 0.136 120.493 120.400 -0.071 0.000 2.147 349 K HA -0.127 4.410 4.320 0.362 0.000 0.205 349 K C 1.995 178.567 176.600 -0.047 0.000 1.049 349 K CA 1.753 58.012 56.287 -0.046 0.000 0.936 349 K CB -0.352 32.125 32.500 -0.038 0.000 0.722 349 K HN 0.321 nan 8.250 nan 0.000 0.446 350 T N 1.978 116.488 114.554 -0.074 0.000 2.777 350 T HA -0.083 4.484 4.350 0.362 0.000 0.266 350 T C 1.796 176.455 174.700 -0.068 0.000 1.040 350 T CA 1.356 63.424 62.100 -0.053 0.000 1.141 350 T CB -0.246 68.601 68.868 -0.036 0.000 0.868 350 T HN 0.412 nan 8.240 nan 0.000 0.444 351 I N -0.840 119.650 120.570 -0.133 0.000 3.735 351 I HA 0.174 4.561 4.170 0.362 0.000 0.310 351 I C 1.808 177.895 176.117 -0.049 0.000 1.270 351 I CA 0.174 61.396 61.300 -0.130 0.000 1.207 351 I CB -0.245 37.612 38.000 -0.237 0.000 1.013 351 I HN -0.068 nan 8.210 nan 0.000 0.452 352 Q N 2.956 122.727 119.800 -0.049 0.000 2.297 352 Q HA 0.007 4.564 4.340 0.362 0.000 0.204 352 Q C 0.391 176.408 176.000 0.029 0.000 0.962 352 Q CA 1.108 56.891 55.803 -0.034 0.000 0.879 352 Q CB -0.063 28.694 28.738 0.032 0.000 0.947 352 Q HN 0.781 nan 8.270 nan 0.000 0.462 353 K N -1.021 119.405 120.400 0.043 0.000 2.480 353 K HA 0.357 4.894 4.320 0.362 0.000 0.258 353 K C -0.395 176.261 176.600 0.093 0.000 0.990 353 K CA -0.836 55.504 56.287 0.088 0.000 0.857 353 K CB 1.202 33.754 32.500 0.088 0.000 1.384 353 K HN -0.278 nan 8.250 nan 0.000 0.446 354 N N -0.065 118.725 118.700 0.149 0.000 2.721 354 N HA -0.136 4.821 4.740 0.362 0.000 0.249 354 N C -1.256 174.358 175.510 0.173 0.000 1.072 354 N CA 1.457 54.627 53.050 0.199 0.000 0.710 354 N CB -1.306 37.272 38.487 0.152 0.000 0.993 354 N HN 0.761 nan 8.380 nan 0.000 0.547 355 T N 0.594 115.239 114.554 0.153 0.000 2.863 355 T HA 0.677 5.244 4.350 0.362 0.000 0.285 355 T C 0.607 175.332 174.700 0.041 0.000 1.009 355 T CA -0.483 61.611 62.100 -0.009 0.000 0.989 355 T CB 1.987 70.715 68.868 -0.234 0.000 1.004 355 T HN 0.054 nan 8.240 nan 0.000 0.455 356 I N 2.954 123.499 120.570 -0.042 0.000 2.354 356 I HA 0.456 4.843 4.170 0.362 0.000 0.292 356 I C -0.955 175.113 176.117 -0.082 0.000 0.989 356 I CA -0.675 60.683 61.300 0.096 0.000 1.188 356 I CB 0.999 39.076 38.000 0.129 0.000 1.342 356 I HN 0.491 nan 8.210 nan 0.000 0.457 357 F N 3.314 123.420 119.950 0.259 0.000 2.450 357 F HA 0.508 5.254 4.527 0.366 0.000 0.332 357 F C 0.379 176.310 175.800 0.218 0.000 1.093 357 F CA -0.485 57.648 58.000 0.221 0.000 1.003 357 F CB 2.049 41.192 39.000 0.239 0.000 1.151 357 F HN 0.243 nan 8.300 nan 0.000 0.474 358 T N 2.912 117.647 114.554 0.301 0.000 2.841 358 T HA 0.256 4.823 4.350 0.362 0.000 0.285 358 T C -0.327 174.462 174.700 0.147 0.000 0.991 358 T CA -0.850 61.370 62.100 0.201 0.000 0.966 358 T CB 0.953 69.887 68.868 0.110 0.000 0.962 358 T HN 0.603 nan 8.240 nan 0.000 0.438 359 N N 0.309 119.104 118.700 0.159 0.000 2.741 359 N HA -0.138 4.820 4.740 0.362 0.000 0.250 359 N C 0.047 175.658 175.510 0.168 0.000 1.115 359 N CA 1.071 54.222 53.050 0.168 0.000 0.724 359 N CB -1.720 36.727 38.487 -0.067 0.000 1.090 359 N HN 0.701 nan 8.380 nan 0.000 0.558 360 V N -3.395 116.664 119.914 0.241 0.000 3.096 360 V HA 0.939 5.276 4.120 0.362 0.000 0.319 360 V C 0.891 177.133 176.094 0.246 0.000 1.082 360 V CA -0.538 61.921 62.300 0.264 0.000 1.022 360 V CB 1.797 33.857 31.823 0.394 0.000 1.103 360 V HN 0.268 nan 8.190 nan 0.000 0.455 361 A N 1.091 124.032 122.820 0.200 0.000 2.287 361 A HA 0.622 5.159 4.320 0.362 0.000 0.273 361 A C 0.044 177.688 177.584 0.100 0.000 1.091 361 A CA -0.386 51.726 52.037 0.125 0.000 0.817 361 A CB 0.485 19.512 19.000 0.044 0.000 1.069 361 A HN 1.045 nan 8.150 nan 0.000 0.492 362 E N 0.079 120.316 120.200 0.062 0.000 2.234 362 E HA 0.445 5.012 4.350 0.362 0.000 0.266 362 E C -0.317 176.275 176.600 -0.013 0.000 0.877 362 E CA -0.521 55.896 56.400 0.029 0.000 0.758 362 E CB 1.403 31.127 29.700 0.041 0.000 1.170 362 E HN 0.820 nan 8.360 nan 0.000 0.415 363 T N 0.429 114.954 114.554 -0.049 0.000 2.849 363 T HA 0.106 4.673 4.350 0.362 0.000 0.284 363 T C 1.316 175.970 174.700 -0.076 0.000 1.004 363 T CA -0.012 62.031 62.100 -0.095 0.000 1.021 363 T CB 1.379 70.169 68.868 -0.130 0.000 1.013 363 T HN 0.415 nan 8.240 nan 0.000 0.527 364 S N -0.058 115.595 115.700 -0.077 0.000 2.474 364 S HA -0.086 4.601 4.470 0.362 0.000 0.235 364 S C 1.076 175.629 174.600 -0.077 0.000 0.997 364 S CA 0.562 58.724 58.200 -0.063 0.000 0.949 364 S CB -0.447 62.720 63.200 -0.055 0.000 0.766 364 S HN 0.749 nan 8.310 nan 0.000 0.517 365 D N 1.580 121.921 120.400 -0.098 0.000 2.363 365 D HA 0.191 5.048 4.640 0.362 0.000 0.220 365 D C 1.451 177.656 176.300 -0.158 0.000 0.994 365 D CA 0.909 54.837 54.000 -0.121 0.000 0.890 365 D CB -0.190 40.532 40.800 -0.131 0.000 0.906 365 D HN 0.631 nan 8.370 nan 0.000 0.530 366 G N 0.169 108.886 108.800 -0.138 0.000 2.132 366 G HA2 -0.155 4.022 3.960 0.362 0.000 0.228 366 G HA3 -0.155 4.022 3.960 0.362 0.000 0.228 366 G C 0.654 175.427 174.900 -0.211 0.000 1.000 366 G CA 0.017 45.027 45.100 -0.150 0.000 0.693 366 G HN 0.592 nan 8.290 nan 0.000 0.515 367 G N -1.209 107.480 108.800 -0.185 0.000 2.511 367 G HA2 0.814 4.991 3.960 0.362 0.000 0.316 367 G HA3 0.814 4.991 3.960 0.362 0.000 0.316 367 G C 0.398 175.323 174.900 0.041 0.000 1.210 367 G CA 0.109 45.140 45.100 -0.114 0.000 0.969 367 G HN 1.529 nan 8.290 nan 0.000 0.492 368 V N -1.948 118.011 119.914 0.075 0.000 2.644 368 V HA 0.756 5.093 4.120 0.362 0.000 0.295 368 V C -0.845 175.110 176.094 -0.233 0.000 1.053 368 V CA -1.002 61.187 62.300 -0.184 0.000 0.987 368 V CB 1.171 32.643 31.823 -0.584 0.000 1.006 368 V HN 0.629 nan 8.190 nan 0.000 0.472 369 Y N 3.603 123.690 120.300 -0.356 0.000 2.544 369 Y HA 0.786 5.553 4.550 0.362 0.000 0.342 369 Y C -1.087 174.689 175.900 -0.206 0.000 1.062 369 Y CA -0.924 56.907 58.100 -0.449 0.000 1.023 369 Y CB 2.207 40.515 38.460 -0.253 0.000 1.308 369 Y HN 1.091 nan 8.280 nan 0.000 0.457 370 W N 1.302 122.376 121.300 -0.377 0.000 2.989 370 W HA 0.615 5.495 4.660 0.368 0.000 0.344 370 W C -1.528 174.800 176.519 -0.318 0.000 1.233 370 W CA -1.139 56.053 57.345 -0.255 0.000 1.187 370 W CB 0.228 29.599 29.460 -0.148 0.000 1.443 370 W HN 0.352 nan 8.180 nan 0.000 0.573 371 E N 1.047 121.327 120.200 0.135 0.000 2.480 371 E HA 0.390 4.958 4.350 0.362 0.000 0.258 371 E C 1.132 177.832 176.600 0.166 0.000 0.984 371 E CA 2.311 58.769 56.400 0.095 0.000 0.930 371 E CB 0.204 29.950 29.700 0.077 0.000 0.936 371 E HN 1.176 nan 8.360 nan 0.000 0.466 372 G N 3.297 112.142 108.800 0.075 0.000 2.160 372 G HA2 -0.326 3.851 3.960 0.362 0.000 0.251 372 G HA3 -0.326 3.851 3.960 0.362 0.000 0.251 372 G C 0.780 175.718 174.900 0.064 0.000 1.008 372 G CA 0.385 45.531 45.100 0.076 0.000 0.724 372 G HN 0.637 nan 8.290 nan 0.000 0.514 373 I N -0.236 120.260 120.570 -0.122 0.000 2.676 373 I HA 0.067 4.454 4.170 0.362 0.000 0.259 373 I C 1.336 177.321 176.117 -0.220 0.000 1.194 373 I CA 1.216 62.331 61.300 -0.309 0.000 1.473 373 I CB 0.059 37.415 38.000 -1.074 0.000 1.096 373 I HN 0.265 nan 8.210 nan 0.000 0.443 374 D N 2.570 122.874 120.400 -0.160 0.000 2.689 374 D HA -0.240 4.617 4.640 0.362 0.000 0.237 374 D C -0.356 175.890 176.300 -0.090 0.000 1.148 374 D CA 0.780 54.725 54.000 -0.091 0.000 0.656 374 D CB -0.942 39.811 40.800 -0.078 0.000 1.050 374 D HN 0.568 nan 8.370 nan 0.000 0.426 375 E N 0.516 120.662 120.200 -0.090 0.000 2.325 375 E HA 0.314 4.881 4.350 0.362 0.000 0.248 375 E C -2.367 174.280 176.600 0.079 0.000 0.912 375 E CA -1.736 54.647 56.400 -0.028 0.000 0.782 375 E CB 1.325 30.986 29.700 -0.064 0.000 1.264 375 E HN 0.121 nan 8.360 nan 0.000 0.417 376 P HA 0.027 nan 4.420 nan 0.000 0.268 376 P C -0.807 176.520 177.300 0.046 0.000 1.204 376 P CA -0.361 62.776 63.100 0.061 0.000 0.768 376 P CB 0.465 32.180 31.700 0.025 0.000 0.842 377 L N 2.435 123.675 121.223 0.028 0.000 2.357 377 L HA 0.503 5.060 4.340 0.362 0.000 0.273 377 L C 0.671 177.523 176.870 -0.030 0.000 1.080 377 L CA -0.834 53.993 54.840 -0.023 0.000 0.803 377 L CB 0.410 42.411 42.059 -0.096 0.000 1.174 377 L HN 0.428 nan 8.230 nan 0.000 0.443 378 A N 4.647 127.445 122.820 -0.037 0.000 2.483 378 A HA 0.462 4.999 4.320 0.362 0.000 0.238 378 A C -2.127 175.433 177.584 -0.040 0.000 1.070 378 A CA -0.831 51.185 52.037 -0.035 0.000 0.770 378 A CB -0.899 18.078 19.000 -0.038 0.000 1.008 378 A HN 0.610 nan 8.150 nan 0.000 0.497 379 P HA 0.241 nan 4.420 nan 0.000 0.263 379 P C 1.148 178.425 177.300 -0.039 0.000 1.175 379 P CA 1.806 64.885 63.100 -0.035 0.000 0.761 379 P CB 0.567 32.250 31.700 -0.029 0.000 0.794 380 G N 1.055 109.831 108.800 -0.041 0.000 2.399 380 G HA2 -0.242 3.935 3.960 0.362 0.000 0.216 380 G HA3 -0.242 3.935 3.960 0.362 0.000 0.216 380 G C 0.039 174.910 174.900 -0.050 0.000 1.096 380 G CA -0.101 44.974 45.100 -0.042 0.000 0.650 380 G HN 0.562 nan 8.290 nan 0.000 0.512 381 V N 3.797 123.675 119.914 -0.060 0.000 2.493 381 V HA 0.439 4.777 4.120 0.362 0.000 0.292 381 V C 1.217 177.261 176.094 -0.083 0.000 1.016 381 V CA 0.985 63.239 62.300 -0.077 0.000 1.097 381 V CB 0.392 32.159 31.823 -0.094 0.000 0.947 381 V HN 0.912 nan 8.190 nan 0.000 0.479 382 T N 3.703 118.214 114.554 -0.071 0.000 2.948 382 T HA 0.819 5.386 4.350 0.362 0.000 0.285 382 T C -0.511 174.153 174.700 -0.060 0.000 1.019 382 T CA -0.801 61.266 62.100 -0.055 0.000 1.013 382 T CB 1.896 70.746 68.868 -0.030 0.000 1.117 382 T HN 0.304 nan 8.240 nan 0.000 0.533 383 I N 0.775 121.341 120.570 -0.007 0.000 2.545 383 I HA 0.386 4.773 4.170 0.362 0.000 0.292 383 I C -0.304 175.870 176.117 0.095 0.000 1.040 383 I CA -0.825 60.486 61.300 0.018 0.000 1.068 383 I CB 2.556 40.591 38.000 0.058 0.000 1.251 383 I HN 0.682 nan 8.210 nan 0.000 0.424 384 T N 3.858 118.449 114.554 0.061 0.000 2.771 384 T HA 0.314 4.881 4.350 0.362 0.000 0.281 384 T C 0.202 174.945 174.700 0.073 0.000 0.982 384 T CA -0.648 61.498 62.100 0.076 0.000 0.978 384 T CB 1.291 70.187 68.868 0.046 0.000 0.930 384 T HN 0.740 nan 8.240 nan 0.000 0.447 385 S N 3.561 119.311 115.700 0.083 0.000 2.626 385 S HA 0.152 4.839 4.470 0.362 0.000 0.257 385 S C 1.505 176.154 174.600 0.082 0.000 1.288 385 S CA -0.859 57.364 58.200 0.037 0.000 0.980 385 S CB 0.320 63.536 63.200 0.026 0.000 0.975 385 S HN 0.920 nan 8.310 nan 0.000 0.577 386 W N 0.156 121.446 121.300 -0.017 0.000 2.595 386 W HA 0.166 5.045 4.660 0.365 0.000 0.257 386 W C 0.544 177.074 176.519 0.018 0.000 1.267 386 W CA 0.373 57.727 57.345 0.015 0.000 1.300 386 W CB -0.750 28.727 29.460 0.029 0.000 1.120 386 W HN 0.604 nan 8.180 nan 0.000 0.618 387 K N 1.353 121.326 120.400 -0.711 0.000 2.437 387 K HA -0.038 4.499 4.320 0.362 0.000 0.198 387 K C 0.591 177.021 176.600 -0.283 0.000 1.024 387 K CA 0.063 55.930 56.287 -0.701 0.000 1.148 387 K CB -0.530 31.524 32.500 -0.743 0.000 0.860 387 K HN 0.074 nan 8.250 nan 0.000 0.515 388 N N 1.762 120.376 118.700 -0.143 0.000 2.758 388 N HA -0.174 4.783 4.740 0.362 0.000 0.248 388 N C -1.342 174.147 175.510 -0.035 0.000 1.076 388 N CA 0.845 53.864 53.050 -0.051 0.000 0.696 388 N CB -0.322 38.143 38.487 -0.037 0.000 0.979 388 N HN 0.253 nan 8.380 nan 0.000 0.550 389 K N 0.516 120.904 120.400 -0.019 0.000 2.443 389 K HA 0.247 4.785 4.320 0.362 0.000 0.251 389 K C -0.504 176.142 176.600 0.076 0.000 0.972 389 K CA -0.686 55.611 56.287 0.016 0.000 0.833 389 K CB 1.918 34.420 32.500 0.004 0.000 1.317 389 K HN 0.172 nan 8.250 nan 0.000 0.441 390 E N 0.973 121.216 120.200 0.071 0.000 2.413 390 E HA 0.010 4.577 4.350 0.362 0.000 0.263 390 E C -1.397 175.308 176.600 0.176 0.000 1.015 390 E CA 0.075 56.534 56.400 0.097 0.000 0.916 390 E CB 0.609 30.335 29.700 0.042 0.000 0.947 390 E HN 0.335 nan 8.360 nan 0.000 0.440 391 W N 3.372 124.664 121.300 -0.014 0.000 2.915 391 W HA 0.435 5.314 4.660 0.364 0.000 0.337 391 W C -1.081 175.430 176.519 -0.012 0.000 1.102 391 W CA -0.719 56.627 57.345 0.002 0.000 1.224 391 W CB 1.298 30.777 29.460 0.033 0.000 1.416 391 W HN 0.455 nan 8.180 nan 0.000 0.503 392 R N 4.813 124.825 120.500 -0.813 0.000 2.711 392 R HA 0.361 4.918 4.340 0.362 0.000 0.284 392 R C -1.856 173.597 176.300 -1.411 0.000 0.968 392 R CA -1.641 54.006 56.100 -0.754 0.000 0.924 392 R CB 1.751 31.777 30.300 -0.455 0.000 1.162 392 R HN 0.182 nan 8.270 nan 0.000 0.465 393 P HA -0.191 nan 4.420 nan 0.000 0.217 393 P C 0.149 177.235 177.300 -0.357 0.000 1.148 393 P CA 1.370 64.208 63.100 -0.438 0.000 0.828 393 P CB 0.302 31.949 31.700 -0.089 0.000 0.783 394 Q N -0.969 118.624 119.800 -0.344 0.000 2.211 394 Q HA 0.100 4.657 4.340 0.362 0.000 0.231 394 Q C -0.025 175.834 176.000 -0.235 0.000 0.865 394 Q CA -0.216 55.465 55.803 -0.204 0.000 0.997 394 Q CB 0.109 28.771 28.738 -0.127 0.000 1.101 394 Q HN 0.345 nan 8.270 nan 0.000 0.468 395 D N 0.448 120.603 120.400 -0.408 0.000 2.383 395 D HA 0.007 4.865 4.640 0.362 0.000 0.248 395 D C 0.951 177.213 176.300 -0.062 0.000 1.170 395 D CA -0.005 53.814 54.000 -0.302 0.000 0.977 395 D CB 1.213 41.675 40.800 -0.563 0.000 1.120 395 D HN 0.080 nan 8.370 nan 0.000 0.481 396 E N 0.296 120.500 120.200 0.006 0.000 2.072 396 E HA -0.087 4.480 4.350 0.362 0.000 0.191 396 E C 0.153 176.848 176.600 0.159 0.000 0.985 396 E CA 1.078 57.521 56.400 0.071 0.000 0.801 396 E CB 0.190 29.923 29.700 0.055 0.000 0.750 396 E HN 0.452 nan 8.360 nan 0.000 0.452 397 E N 1.464 121.817 120.200 0.255 0.000 2.248 397 E HA 0.291 4.858 4.350 0.362 0.000 0.272 397 E C -2.204 174.714 176.600 0.530 0.000 1.008 397 E CA -2.500 54.101 56.400 0.336 0.000 0.856 397 E CB 0.417 30.309 29.700 0.319 0.000 1.120 397 E HN -0.014 nan 8.360 nan 0.000 0.397 398 P HA 0.012 nan 4.420 nan 0.000 0.271 398 P C 0.996 178.291 177.300 -0.007 0.000 1.218 398 P CA -0.189 63.037 63.100 0.210 0.000 0.780 398 P CB 0.617 32.362 31.700 0.075 0.000 0.901 399 C N 0.941 119.854 119.300 -0.644 0.000 2.446 399 C HA 0.399 5.076 4.460 0.362 0.000 0.279 399 C C 1.150 176.084 174.990 -0.093 0.000 1.366 399 C CA 0.378 58.850 59.018 -0.909 0.000 1.763 399 C CB -1.375 25.410 27.740 -1.591 0.000 1.929 399 C HN 0.622 nan 8.230 nan 0.000 0.509 400 A N 0.052 122.835 122.820 -0.061 0.000 2.355 400 A HA 0.561 5.098 4.320 0.362 0.000 0.324 400 A C -0.369 177.015 177.584 -0.335 0.000 1.117 400 A CA -0.360 51.651 52.037 -0.042 0.000 0.785 400 A CB 0.085 19.116 19.000 0.052 0.000 1.254 400 A HN 0.591 nan 8.150 nan 0.000 0.453 401 H N 2.149 120.656 119.070 -0.938 0.000 2.928 401 H HA 0.074 4.847 4.556 0.361 0.000 0.338 401 H C -1.687 173.348 175.328 -0.488 0.000 1.047 401 H CA -0.777 54.645 56.048 -1.045 0.000 1.435 401 H CB 1.179 30.042 29.762 -1.498 0.000 1.428 401 H HN 0.283 nan 8.280 nan 0.000 0.590 402 P HA -0.148 nan 4.420 nan 0.000 0.218 402 P C 0.652 177.833 177.300 -0.198 0.000 1.146 402 P CA 1.564 64.449 63.100 -0.359 0.000 0.813 402 P CB 0.250 31.721 31.700 -0.382 0.000 0.778 403 N N -1.276 117.409 118.700 -0.025 0.000 2.279 403 N HA 0.029 4.986 4.740 0.362 0.000 0.226 403 N C -0.327 175.180 175.510 -0.005 0.000 1.126 403 N CA -0.214 52.855 53.050 0.031 0.000 0.846 403 N CB -0.121 38.405 38.487 0.065 0.000 1.050 403 N HN 0.008 nan 8.380 nan 0.000 0.502 404 S N -0.396 115.257 115.700 -0.079 0.000 2.584 404 S HA 0.380 5.067 4.470 0.362 0.000 0.270 404 S C 0.089 174.558 174.600 -0.219 0.000 1.346 404 S CA -0.409 57.728 58.200 -0.106 0.000 1.018 404 S CB 1.215 64.350 63.200 -0.108 0.000 0.899 404 S HN 0.094 nan 8.310 nan 0.000 0.542 405 R N 0.371 120.734 120.500 -0.229 0.000 2.771 405 R HA 0.531 5.088 4.340 0.362 0.000 0.274 405 R C -1.161 174.945 176.300 -0.324 0.000 0.987 405 R CA -0.661 55.122 56.100 -0.528 0.000 0.908 405 R CB 1.325 31.086 30.300 -0.898 0.000 1.213 405 R HN 0.800 nan 8.270 nan 0.000 0.468 406 F N -1.484 118.222 119.950 -0.408 0.000 2.492 406 F HA 0.694 5.442 4.527 0.368 0.000 0.327 406 F C -0.256 175.329 175.800 -0.359 0.000 1.079 406 F CA -1.399 56.332 58.000 -0.447 0.000 0.967 406 F CB 1.333 40.059 39.000 -0.457 0.000 1.169 406 F HN 0.330 nan 8.300 nan 0.000 0.472 407 C N 3.494 122.759 119.300 -0.058 0.000 2.356 407 C HA 0.799 5.476 4.460 0.362 0.000 0.324 407 C C -0.464 174.559 174.990 0.055 0.000 1.167 407 C CA 0.203 59.279 59.018 0.096 0.000 1.420 407 C CB -0.479 27.357 27.740 0.159 0.000 2.036 407 C HN 1.135 nan 8.230 nan 0.000 0.435 408 T N 3.747 118.381 114.554 0.133 0.000 2.893 408 T HA 0.680 5.247 4.350 0.362 0.000 0.293 408 T C -3.189 171.512 174.700 0.001 0.000 1.027 408 T CA -1.864 60.280 62.100 0.074 0.000 0.988 408 T CB 1.840 70.782 68.868 0.122 0.000 1.043 408 T HN 0.357 nan 8.240 nan 0.000 0.461 409 P HA 0.267 nan 4.420 nan 0.000 0.267 409 P C 0.699 177.855 177.300 -0.240 0.000 1.205 409 P CA -0.240 62.780 63.100 -0.133 0.000 0.765 409 P CB 0.418 32.075 31.700 -0.071 0.000 0.828 410 A N 3.570 126.071 122.820 -0.531 0.000 1.972 410 A HA -0.169 4.368 4.320 0.362 0.000 0.219 410 A C 2.071 179.269 177.584 -0.644 0.000 1.169 410 A CA 2.030 53.504 52.037 -0.938 0.000 0.635 410 A CB -1.474 16.663 19.000 -1.438 0.000 0.810 410 A HN 0.578 nan 8.150 nan 0.000 0.446 411 S N -0.668 114.800 115.700 -0.386 0.000 2.469 411 S HA -0.181 4.506 4.470 0.362 0.000 0.238 411 S C 1.619 176.165 174.600 -0.089 0.000 0.998 411 S CA 1.284 59.387 58.200 -0.162 0.000 0.957 411 S CB -0.388 62.863 63.200 0.085 0.000 0.764 411 S HN 0.700 nan 8.310 nan 0.000 0.514 412 Q N -0.180 119.575 119.800 -0.074 0.000 2.451 412 Q HA 0.189 4.746 4.340 0.362 0.000 0.206 412 Q C 0.577 176.573 176.000 -0.006 0.000 0.947 412 Q CA -0.044 55.748 55.803 -0.018 0.000 0.937 412 Q CB 0.035 28.773 28.738 -0.001 0.000 1.025 412 Q HN 0.659 nan 8.270 nan 0.000 0.511 413 C N 3.044 122.345 119.300 0.001 0.000 2.651 413 C HA 0.092 4.769 4.460 0.362 0.000 0.410 413 C C -0.865 174.112 174.990 -0.021 0.000 1.372 413 C CA -1.656 57.370 59.018 0.013 0.000 1.707 413 C CB 0.405 28.192 27.740 0.077 0.000 2.501 413 C HN 0.360 nan 8.230 nan 0.000 0.598 414 P HA -0.085 nan 4.420 nan 0.000 0.222 414 P C 0.641 177.937 177.300 -0.006 0.000 1.147 414 P CA 1.517 64.611 63.100 -0.011 0.000 0.790 414 P CB -0.170 31.521 31.700 -0.015 0.000 0.780 415 I N -4.570 115.993 120.570 -0.012 0.000 3.877 415 I HA 0.329 4.716 4.170 0.362 0.000 0.332 415 I C 0.434 176.558 176.117 0.010 0.000 1.525 415 I CA -1.078 60.224 61.300 0.003 0.000 1.146 415 I CB -0.312 37.688 38.000 0.000 0.000 1.137 415 I HN -0.335 nan 8.210 nan 0.000 0.424 416 I N 2.774 123.333 120.570 -0.019 0.000 2.752 416 I HA -0.066 4.321 4.170 0.362 0.000 0.289 416 I C 0.741 176.892 176.117 0.057 0.000 1.197 416 I CA 0.603 61.864 61.300 -0.065 0.000 1.432 416 I CB 0.136 37.962 38.000 -0.290 0.000 1.359 416 I HN 0.326 nan 8.210 nan 0.000 0.571 417 D N 9.602 130.089 120.400 0.145 0.000 2.414 417 D HA 0.071 4.928 4.640 0.362 0.000 0.242 417 D C -1.667 174.823 176.300 0.317 0.000 1.129 417 D CA -1.145 53.000 54.000 0.242 0.000 0.885 417 D CB 1.523 42.524 40.800 0.334 0.000 1.198 417 D HN 0.378 nan 8.370 nan 0.000 0.437 418 P HA -0.050 nan 4.420 nan 0.000 0.228 418 P C 0.315 177.731 177.300 0.193 0.000 1.151 418 P CA 0.551 63.781 63.100 0.216 0.000 0.770 418 P CB 0.233 32.020 31.700 0.145 0.000 0.786 419 A N -0.423 122.526 122.820 0.214 0.000 2.500 419 A HA 0.108 4.645 4.320 0.362 0.000 0.267 419 A C 1.626 179.258 177.584 0.081 0.000 1.290 419 A CA -0.715 51.384 52.037 0.103 0.000 0.928 419 A CB -1.379 17.667 19.000 0.076 0.000 1.066 419 A HN 0.323 nan 8.150 nan 0.000 0.516 420 W N 1.413 122.731 121.300 0.030 0.000 2.421 420 W HA -0.084 4.788 4.660 0.353 0.000 0.270 420 W C 0.058 176.556 176.519 -0.036 0.000 1.233 420 W CA 1.413 58.764 57.345 0.010 0.000 1.226 420 W CB -0.270 29.213 29.460 0.039 0.000 1.121 420 W HN 0.608 nan 8.180 nan 0.000 0.579 421 E N 0.972 120.696 120.200 -0.792 0.000 2.734 421 E HA 0.180 4.748 4.350 0.362 0.000 0.211 421 E C -0.010 176.352 176.600 -0.396 0.000 0.991 421 E CA -0.266 55.669 56.400 -0.775 0.000 1.065 421 E CB 0.123 29.148 29.700 -1.125 0.000 1.047 421 E HN -0.165 nan 8.360 nan 0.000 0.470 422 S N 3.576 119.123 115.700 -0.255 0.000 2.515 422 S HA 0.033 4.720 4.470 0.362 0.000 0.285 422 S C -1.503 172.999 174.600 -0.163 0.000 1.265 422 S CA -0.911 57.188 58.200 -0.168 0.000 1.079 422 S CB 0.690 63.820 63.200 -0.116 0.000 0.877 422 S HN 0.154 nan 8.310 nan 0.000 0.493 423 P HA -0.156 nan 4.420 nan 0.000 0.218 423 P C 1.392 178.625 177.300 -0.111 0.000 1.148 423 P CA 0.822 63.846 63.100 -0.127 0.000 0.822 423 P CB 0.103 31.741 31.700 -0.104 0.000 0.784 424 E N -0.187 119.952 120.200 -0.101 0.000 2.435 424 E HA 0.096 4.663 4.350 0.362 0.000 0.195 424 E C 1.042 177.579 176.600 -0.105 0.000 1.029 424 E CA 0.882 57.227 56.400 -0.091 0.000 0.865 424 E CB -0.726 28.930 29.700 -0.073 0.000 0.833 424 E HN 0.143 nan 8.360 nan 0.000 0.510 425 G N 0.685 109.410 108.800 -0.125 0.000 2.796 425 G HA2 -0.191 3.986 3.960 0.362 0.000 0.571 425 G HA3 -0.191 3.986 3.960 0.362 0.000 0.571 425 G C -0.225 174.554 174.900 -0.201 0.000 1.370 425 G CA -0.156 44.857 45.100 -0.145 0.000 0.856 425 G HN 0.733 nan 8.290 nan 0.000 0.538 426 V N -2.430 117.314 119.914 -0.284 0.000 2.581 426 V HA 0.853 5.190 4.120 0.362 0.000 0.303 426 V C -2.177 173.728 176.094 -0.315 0.000 1.041 426 V CA -2.066 59.926 62.300 -0.513 0.000 0.907 426 V CB 2.144 33.253 31.823 -1.189 0.000 0.994 426 V HN 0.881 nan 8.190 nan 0.000 0.442 427 P HA 0.316 nan 4.420 nan 0.000 0.276 427 P C -0.504 176.826 177.300 0.051 0.000 1.264 427 P CA -0.020 63.056 63.100 -0.041 0.000 0.769 427 P CB 0.583 32.295 31.700 0.019 0.000 0.840 428 I N 4.068 124.653 120.570 0.025 0.000 2.416 428 I HA 0.125 4.513 4.170 0.362 0.000 0.288 428 I C 1.394 177.566 176.117 0.092 0.000 1.051 428 I CA 0.188 61.539 61.300 0.085 0.000 1.375 428 I CB 0.375 38.409 38.000 0.057 0.000 1.407 428 I HN 0.433 nan 8.210 nan 0.000 0.516 429 E N 3.575 123.846 120.200 0.119 0.000 2.490 429 E HA 0.265 4.832 4.350 0.362 0.000 0.209 429 E C 0.671 177.354 176.600 0.138 0.000 0.971 429 E CA -0.128 56.331 56.400 0.098 0.000 0.988 429 E CB 1.322 31.047 29.700 0.042 0.000 1.029 429 E HN 0.801 nan 8.360 nan 0.000 0.496 430 G N 1.009 109.914 108.800 0.175 0.000 2.733 430 G HA2 0.604 4.781 3.960 0.362 0.000 0.297 430 G HA3 0.604 4.781 3.960 0.362 0.000 0.297 430 G C -1.333 173.685 174.900 0.198 0.000 1.422 430 G CA -0.599 44.648 45.100 0.246 0.000 0.942 430 G HN -0.040 nan 8.290 nan 0.000 0.510 431 I N 1.372 122.036 120.570 0.157 0.000 2.436 431 I HA 0.444 4.831 4.170 0.362 0.000 0.289 431 I C -0.642 175.378 176.117 -0.161 0.000 1.010 431 I CA -0.749 60.542 61.300 -0.015 0.000 1.098 431 I CB 2.207 40.202 38.000 -0.007 0.000 1.266 431 I HN 0.222 nan 8.210 nan 0.000 0.434 432 I N 5.842 126.262 120.570 -0.249 0.000 2.406 432 I HA 0.412 4.799 4.170 0.362 0.000 0.290 432 I C -0.858 175.010 176.117 -0.415 0.000 0.999 432 I CA -0.437 60.749 61.300 -0.191 0.000 1.124 432 I CB 1.240 39.242 38.000 0.003 0.000 1.289 432 I HN 0.260 nan 8.210 nan 0.000 0.441 433 F N 3.183 123.115 119.950 -0.030 0.000 2.470 433 F HA 0.864 5.605 4.527 0.356 0.000 0.329 433 F C 0.755 176.438 175.800 -0.195 0.000 1.072 433 F CA -0.876 57.079 58.000 -0.075 0.000 0.989 433 F CB 2.068 41.014 39.000 -0.091 0.000 1.193 433 F HN 0.442 nan 8.300 nan 0.000 0.481 434 G N -0.374 108.505 108.800 0.130 0.000 2.667 434 G HA2 0.585 4.762 3.960 0.362 0.000 0.294 434 G HA3 0.585 4.762 3.960 0.362 0.000 0.294 434 G C -1.470 173.357 174.900 -0.122 0.000 1.467 434 G CA -0.384 44.536 45.100 -0.299 0.000 0.852 434 G HN 0.950 nan 8.290 nan 0.000 0.521 435 G N -0.594 108.074 108.800 -0.219 0.000 2.708 435 G HA2 0.616 4.793 3.960 0.362 0.000 0.289 435 G HA3 0.616 4.793 3.960 0.362 0.000 0.289 435 G C -1.117 173.741 174.900 -0.069 0.000 1.416 435 G CA -0.997 44.052 45.100 -0.085 0.000 0.829 435 G HN 0.635 nan 8.290 nan 0.000 0.480 436 R N 0.785 121.219 120.500 -0.109 0.000 2.220 436 R HA 0.427 4.984 4.340 0.362 0.000 0.340 436 R C -0.636 175.641 176.300 -0.038 0.000 1.076 436 R CA -0.413 55.602 56.100 -0.142 0.000 0.920 436 R CB 0.205 30.199 30.300 -0.511 0.000 1.062 436 R HN 0.199 nan 8.270 nan 0.000 0.469 437 R N 5.925 126.463 120.500 0.064 0.000 2.412 437 R HA 0.218 4.775 4.340 0.362 0.000 0.304 437 R C -2.097 174.234 176.300 0.052 0.000 1.066 437 R CA -2.343 53.780 56.100 0.037 0.000 0.923 437 R CB 1.672 31.994 30.300 0.037 0.000 1.156 437 R HN 0.534 nan 8.270 nan 0.000 0.513 438 P HA -0.052 nan 4.420 nan 0.000 0.222 438 P C -0.153 177.120 177.300 -0.045 0.000 1.147 438 P CA 0.826 63.935 63.100 0.015 0.000 0.790 438 P CB 0.607 32.295 31.700 -0.021 0.000 0.780 439 A N -2.031 120.733 122.820 -0.095 0.000 2.539 439 A HA 0.638 5.176 4.320 0.362 0.000 0.296 439 A C 0.912 178.133 177.584 -0.605 0.000 1.073 439 A CA -0.011 51.886 52.037 -0.232 0.000 0.700 439 A CB 1.089 20.012 19.000 -0.130 0.000 1.296 439 A HN 0.155 nan 8.150 nan 0.000 0.405 440 G N -0.628 107.647 108.800 -0.875 0.000 2.396 440 G HA2 -0.168 4.010 3.960 0.362 0.000 0.242 440 G HA3 -0.168 4.010 3.960 0.362 0.000 0.242 440 G C 0.330 174.807 174.900 -0.705 0.000 1.069 440 G CA 0.471 44.577 45.100 -1.657 0.000 0.633 440 G HN 1.709 nan 8.290 nan 0.000 0.517 441 V N 3.638 123.343 119.914 -0.348 0.000 2.370 441 V HA 0.505 4.842 4.120 0.362 0.000 0.279 441 V C -1.554 174.578 176.094 0.064 0.000 1.029 441 V CA -1.444 60.910 62.300 0.091 0.000 0.870 441 V CB 1.609 33.537 31.823 0.176 0.000 0.984 441 V HN 0.182 nan 8.190 nan 0.000 0.451 442 P HA 0.105 nan 4.420 nan 0.000 0.273 442 P C 0.843 178.043 177.300 -0.167 0.000 1.250 442 P CA -0.450 62.615 63.100 -0.058 0.000 0.793 442 P CB 0.688 32.458 31.700 0.116 0.000 1.011 443 L N 2.026 122.896 121.223 -0.587 0.000 2.013 443 L HA -0.059 4.498 4.340 0.362 0.000 0.212 443 L C 0.523 177.183 176.870 -0.350 0.000 1.073 443 L CA 2.156 56.627 54.840 -0.616 0.000 0.753 443 L CB -0.227 41.192 42.059 -1.067 0.000 0.890 443 L HN 0.215 nan 8.230 nan 0.000 0.432 444 V N -0.954 118.914 119.914 -0.077 0.000 2.969 444 V HA 0.452 4.789 4.120 0.362 0.000 0.304 444 V C -1.631 174.667 176.094 0.340 0.000 1.192 444 V CA -0.603 61.740 62.300 0.073 0.000 0.962 444 V CB 1.915 33.745 31.823 0.012 0.000 1.045 444 V HN 0.373 nan 8.190 nan 0.000 0.428 445 Y N 2.366 122.849 120.300 0.305 0.000 2.615 445 Y HA 0.829 5.597 4.550 0.363 0.000 0.341 445 Y C -0.838 175.387 175.900 0.543 0.000 1.089 445 Y CA -1.040 57.284 58.100 0.373 0.000 1.049 445 Y CB 1.640 40.245 38.460 0.240 0.000 1.296 445 Y HN 0.708 nan 8.280 nan 0.000 0.470 446 E N 1.852 122.472 120.200 0.700 0.000 2.199 446 E HA 0.707 5.274 4.350 0.362 0.000 0.269 446 E C -0.934 175.916 176.600 0.417 0.000 0.899 446 E CA -1.156 55.511 56.400 0.444 0.000 0.772 446 E CB 1.806 31.793 29.700 0.479 0.000 1.155 446 E HN 1.044 nan 8.360 nan 0.000 0.408 447 A N 4.282 127.227 122.820 0.208 0.000 2.445 447 A HA 0.125 4.662 4.320 0.362 0.000 0.242 447 A C 0.938 178.783 177.584 0.435 0.000 1.075 447 A CA -0.099 52.122 52.037 0.306 0.000 0.777 447 A CB 0.255 19.297 19.000 0.069 0.000 1.013 447 A HN 0.859 nan 8.150 nan 0.000 0.493 448 L N 1.123 122.725 121.223 0.632 0.000 2.395 448 L HA 0.054 4.611 4.340 0.362 0.000 0.218 448 L C 0.980 178.019 176.870 0.281 0.000 1.130 448 L CA 1.162 56.190 54.840 0.313 0.000 0.826 448 L CB -0.548 41.498 42.059 -0.020 0.000 0.941 448 L HN 0.932 nan 8.230 nan 0.000 0.451 449 S N -3.936 111.949 115.700 0.309 0.000 2.643 449 S HA 0.009 4.696 4.470 0.362 0.000 0.266 449 S C -0.096 174.700 174.600 0.326 0.000 1.130 449 S CA -0.914 57.453 58.200 0.278 0.000 0.817 449 S CB 0.129 63.468 63.200 0.232 0.000 1.107 449 S HN 0.204 nan 8.310 nan 0.000 0.471 450 W N 1.234 122.625 121.300 0.152 0.000 2.335 450 W HA -0.182 4.693 4.660 0.359 0.000 0.311 450 W C 1.552 178.207 176.519 0.227 0.000 1.213 450 W CA 2.490 59.943 57.345 0.181 0.000 1.274 450 W CB -0.464 29.077 29.460 0.136 0.000 1.148 450 W HN 0.868 nan 8.180 nan 0.000 0.498 451 Q N -0.960 119.016 119.800 0.293 0.000 2.084 451 Q HA -0.259 4.298 4.340 0.362 0.000 0.202 451 Q C 2.281 178.401 176.000 0.200 0.000 0.978 451 Q CA 2.191 58.118 55.803 0.207 0.000 0.844 451 Q CB -1.336 27.545 28.738 0.237 0.000 0.898 451 Q HN 0.512 nan 8.270 nan 0.000 0.426 452 H N -0.716 118.428 119.070 0.123 0.000 2.387 452 H HA -0.071 4.703 4.556 0.363 0.000 0.299 452 H C 1.880 177.320 175.328 0.186 0.000 1.090 452 H CA 1.111 57.249 56.048 0.150 0.000 1.332 452 H CB 0.010 29.842 29.762 0.116 0.000 1.386 452 H HN 0.377 nan 8.280 nan 0.000 0.516 453 G N 0.378 109.171 108.800 -0.012 0.000 2.418 453 G HA2 -0.214 3.964 3.960 0.362 0.000 0.217 453 G HA3 -0.214 3.964 3.960 0.362 0.000 0.217 453 G C 1.850 176.651 174.900 -0.166 0.000 1.158 453 G CA 0.983 46.016 45.100 -0.112 0.000 0.771 453 G HN 0.336 nan 8.290 nan 0.000 0.545 454 V N 0.560 120.351 119.914 -0.205 0.000 2.343 454 V HA -0.153 4.184 4.120 0.362 0.000 0.247 454 V C 2.333 178.391 176.094 -0.061 0.000 1.051 454 V CA 1.849 64.077 62.300 -0.120 0.000 1.036 454 V CB -0.660 31.146 31.823 -0.029 0.000 0.654 454 V HN 0.422 nan 8.190 nan 0.000 0.451 455 F N 0.725 120.618 119.950 -0.095 0.000 2.134 455 F HA -0.174 4.572 4.527 0.364 0.000 0.299 455 F C 2.191 177.901 175.800 -0.151 0.000 1.097 455 F CA 1.764 59.736 58.000 -0.046 0.000 1.264 455 F CB -0.379 38.651 39.000 0.050 0.000 1.001 455 F HN -0.038 nan 8.300 nan 0.000 0.479 456 V N 0.753 120.463 119.914 -0.341 0.000 2.295 456 V HA -0.255 4.082 4.120 0.362 0.000 0.246 456 V C 2.793 178.449 176.094 -0.729 0.000 1.049 456 V CA 2.041 64.074 62.300 -0.446 0.000 1.024 456 V CB -1.652 30.048 31.823 -0.205 0.000 0.648 456 V HN 0.569 nan 8.190 nan 0.000 0.447 457 G N -0.524 107.527 108.800 -1.249 0.000 2.418 457 G HA2 -0.215 3.962 3.960 0.362 0.000 0.217 457 G HA3 -0.215 3.962 3.960 0.362 0.000 0.217 457 G C 1.734 175.887 174.900 -1.244 0.000 1.158 457 G CA 1.005 44.688 45.100 -2.362 0.000 0.771 457 G HN 0.622 nan 8.290 nan 0.000 0.545 458 A N 0.781 123.273 122.820 -0.547 0.000 1.969 458 A HA 0.392 4.929 4.320 0.362 0.000 0.218 458 A C 2.550 180.091 177.584 -0.072 0.000 1.169 458 A CA 1.931 54.026 52.037 0.096 0.000 0.635 458 A CB -0.382 18.754 19.000 0.227 0.000 0.810 458 A HN 0.779 nan 8.150 nan 0.000 0.445 459 A N -1.172 121.404 122.820 -0.405 0.000 2.251 459 A HA 0.435 4.972 4.320 0.362 0.000 0.209 459 A C 0.959 178.403 177.584 -0.233 0.000 1.187 459 A CA -0.293 51.540 52.037 -0.340 0.000 0.823 459 A CB -0.492 18.105 19.000 -0.672 0.000 0.846 459 A HN 0.510 nan 8.150 nan 0.000 0.486 460 M N 0.998 120.451 119.600 -0.245 0.000 2.261 460 M HA 0.088 4.785 4.480 0.362 0.000 0.350 460 M C 0.124 176.303 176.300 -0.201 0.000 1.343 460 M CA 1.055 56.259 55.300 -0.160 0.000 1.003 460 M CB 0.189 32.705 32.600 -0.140 0.000 1.848 460 M HN 0.303 nan 8.290 nan 0.000 0.456 461 R N 1.299 121.677 120.500 -0.203 0.000 2.771 461 R HA 0.717 5.274 4.340 0.362 0.000 0.274 461 R C -1.249 174.957 176.300 -0.157 0.000 0.987 461 R CA -0.820 55.097 56.100 -0.306 0.000 0.908 461 R CB 2.429 32.441 30.300 -0.480 0.000 1.213 461 R HN 0.629 nan 8.270 nan 0.000 0.468 462 S N 0.350 115.954 115.700 -0.159 0.000 2.533 462 S HA 0.142 4.829 4.470 0.362 0.000 0.271 462 S C -1.355 173.170 174.600 -0.124 0.000 1.143 462 S CA -0.754 57.376 58.200 -0.117 0.000 0.891 462 S CB 1.614 64.757 63.200 -0.095 0.000 1.105 462 S HN 0.595 nan 8.310 nan 0.000 0.468 463 E N 2.031 122.159 120.200 -0.121 0.000 2.392 463 E HA 0.532 5.099 4.350 0.362 0.000 0.264 463 E C -0.160 176.374 176.600 -0.109 0.000 1.024 463 E CA 0.016 56.351 56.400 -0.108 0.000 0.903 463 E CB 0.763 30.404 29.700 -0.098 0.000 0.963 463 E HN 0.684 nan 8.360 nan 0.000 0.432 473 K N 0.334 120.712 120.400 -0.036 0.000 2.618 473 K HA 0.326 4.863 4.320 0.362 0.000 0.205 473 K C -0.043 176.536 176.600 -0.035 0.000 1.445 473 K CA 0.236 56.503 56.287 -0.033 0.000 1.034 473 K CB 0.927 33.412 32.500 -0.025 0.000 1.209 473 K HN 1.134 nan 8.250 nan 0.000 0.627 474 V N -0.441 119.448 119.914 -0.042 0.000 2.709 474 V HA 0.632 4.969 4.120 0.362 0.000 0.308 474 V C -0.678 175.377 176.094 -0.065 0.000 1.062 474 V CA -0.977 61.295 62.300 -0.047 0.000 0.901 474 V CB 1.841 33.642 31.823 -0.037 0.000 1.003 474 V HN 0.044 nan 8.190 nan 0.000 0.425 475 I N 6.608 127.131 120.570 -0.079 0.000 2.321 475 I HA 0.526 4.913 4.170 0.362 0.000 0.291 475 I C 0.134 176.167 176.117 -0.140 0.000 0.998 475 I CA -0.173 61.058 61.300 -0.116 0.000 1.227 475 I CB 1.318 39.239 38.000 -0.132 0.000 1.368 475 I HN 0.910 nan 8.210 nan 0.000 0.466 476 M N 4.628 124.133 119.600 -0.158 0.000 2.644 476 M HA 0.566 5.263 4.480 0.362 0.000 0.304 476 M C -0.752 175.392 176.300 -0.260 0.000 1.215 476 M CA -0.867 54.340 55.300 -0.153 0.000 0.871 476 M CB 2.572 35.132 32.600 -0.066 0.000 1.740 476 M HN 0.319 nan 8.290 nan 0.000 0.464 477 H N 1.127 120.023 119.070 -0.290 0.000 2.683 477 H HA 0.223 4.995 4.556 0.360 0.000 0.339 477 H C -1.085 174.102 175.328 -0.235 0.000 1.081 477 H CA 0.499 56.302 56.048 -0.409 0.000 1.432 477 H CB 1.090 30.261 29.762 -0.985 0.000 1.462 477 H HN 0.611 nan 8.280 nan 0.000 0.557 478 D N 4.304 124.649 120.400 -0.092 0.000 2.621 478 D HA 0.163 5.020 4.640 0.362 0.000 0.274 478 D C -2.687 173.597 176.300 -0.027 0.000 1.215 478 D CA -1.741 52.230 54.000 -0.048 0.000 0.810 478 D CB 0.916 41.698 40.800 -0.029 0.000 1.248 478 D HN 0.261 nan 8.370 nan 0.000 0.517 479 P HA 0.043 nan 4.420 nan 0.000 0.264 479 P C 0.275 177.731 177.300 0.260 0.000 1.193 479 P CA -0.056 63.090 63.100 0.077 0.000 0.763 479 P CB 0.092 31.809 31.700 0.029 0.000 0.810 480 F N 1.407 121.309 119.950 -0.079 0.000 3.048 480 F HA -0.302 4.442 4.527 0.362 0.000 0.287 480 F C 1.449 177.343 175.800 0.157 0.000 0.796 480 F CA 1.118 59.138 58.000 0.033 0.000 1.111 480 F CB -2.622 36.512 39.000 0.224 0.000 1.320 480 F HN 0.585 nan 8.300 nan 0.000 0.430 481 A N -1.517 121.434 122.820 0.218 0.000 2.816 481 A HA -0.298 4.239 4.320 0.362 0.000 0.270 481 A C 1.318 179.090 177.584 0.313 0.000 1.413 481 A CA 1.689 53.885 52.037 0.265 0.000 0.866 481 A CB -1.466 17.707 19.000 0.290 0.000 1.032 481 A HN 0.449 nan 8.150 nan 0.000 0.642 482 M N -1.536 118.056 119.600 -0.014 0.000 2.405 482 M HA 0.148 4.845 4.480 0.362 0.000 0.292 482 M C 1.579 177.273 176.300 -1.010 0.000 1.111 482 M CA 0.336 55.386 55.300 -0.417 0.000 0.979 482 M CB -0.257 31.875 32.600 -0.780 0.000 1.426 482 M HN 0.620 nan 8.290 nan 0.000 0.509 483 R N 1.967 122.125 120.500 -0.571 0.000 2.103 483 R HA -0.129 4.428 4.340 0.362 0.000 0.242 483 R C -1.060 174.970 176.300 -0.450 0.000 1.142 483 R CA 1.686 57.543 56.100 -0.405 0.000 0.960 483 R CB -0.782 29.422 30.300 -0.160 0.000 0.858 483 R HN 0.181 nan 8.270 nan 0.000 0.439 484 P HA 0.055 nan 4.420 nan 0.000 0.253 484 P C -0.182 176.603 177.300 -0.857 0.000 1.260 484 P CA 0.695 63.315 63.100 -0.799 0.000 0.800 484 P CB 0.143 31.198 31.700 -1.075 0.000 1.162 485 F N -2.947 116.802 119.950 -0.334 0.000 2.817 485 F HA 0.308 5.061 4.527 0.377 0.000 0.333 485 F C 0.671 176.306 175.800 -0.275 0.000 1.085 485 F CA -1.027 56.795 58.000 -0.296 0.000 1.170 485 F CB -0.607 38.207 39.000 -0.311 0.000 1.066 485 F HN -0.318 nan 8.300 nan 0.000 0.564 486 F N 1.160 121.078 119.950 -0.054 0.000 2.602 486 F HA 0.273 5.023 4.527 0.372 0.000 0.385 486 F C 1.699 177.458 175.800 -0.067 0.000 1.063 486 F CA -0.006 57.901 58.000 -0.155 0.000 1.233 486 F CB 0.141 38.977 39.000 -0.274 0.000 1.067 486 F HN 0.096 nan 8.300 nan 0.000 0.564 487 G N 2.978 111.904 108.800 0.210 0.000 2.712 487 G HA2 0.089 4.266 3.960 0.362 0.000 0.212 487 G HA3 0.089 4.266 3.960 0.362 0.000 0.212 487 G C -0.379 174.708 174.900 0.311 0.000 1.142 487 G CA 0.569 45.801 45.100 0.220 0.000 0.789 487 G HN 0.670 nan 8.290 nan 0.000 0.535 488 Y N -2.670 117.698 120.300 0.114 0.000 2.764 488 Y HA 0.493 5.251 4.550 0.347 0.000 0.331 488 Y C -0.582 175.346 175.900 0.046 0.000 1.280 488 Y CA -2.446 55.694 58.100 0.065 0.000 1.065 488 Y CB 0.109 38.586 38.460 0.029 0.000 1.319 488 Y HN -0.159 nan 8.280 nan 0.000 0.453 489 N N 1.633 120.373 118.700 0.068 0.000 2.315 489 N HA -0.145 4.812 4.740 0.362 0.000 0.270 489 N C 0.526 175.886 175.510 -0.249 0.000 1.329 489 N CA 0.452 53.467 53.050 -0.059 0.000 0.860 489 N CB 0.089 38.595 38.487 0.031 0.000 1.095 489 N HN 0.801 nan 8.380 nan 0.000 0.487 490 F N 4.638 124.273 119.950 -0.526 0.000 2.216 490 F HA 0.032 4.774 4.527 0.359 0.000 0.300 490 F C 1.978 177.577 175.800 -0.334 0.000 1.085 490 F CA 1.743 59.276 58.000 -0.779 0.000 1.326 490 F CB -0.572 37.822 39.000 -1.010 0.000 1.027 490 F HN 0.554 nan 8.300 nan 0.000 0.497 491 G N 0.772 109.332 108.800 -0.399 0.000 2.421 491 G HA2 -0.247 3.930 3.960 0.362 0.000 0.216 491 G HA3 -0.247 3.930 3.960 0.362 0.000 0.216 491 G C 1.767 176.564 174.900 -0.172 0.000 1.171 491 G CA 0.699 45.597 45.100 -0.337 0.000 0.775 491 G HN 0.199 nan 8.290 nan 0.000 0.543 492 K N -0.056 120.321 120.400 -0.040 0.000 2.097 492 K HA -0.071 4.466 4.320 0.362 0.000 0.206 492 K C 2.025 178.787 176.600 0.271 0.000 1.049 492 K CA 0.846 57.216 56.287 0.139 0.000 0.933 492 K CB -0.763 31.891 32.500 0.257 0.000 0.717 492 K HN 0.524 nan 8.250 nan 0.000 0.442 493 Y N 1.809 122.094 120.300 -0.025 0.000 2.145 493 Y HA -0.186 4.579 4.550 0.359 0.000 0.286 493 Y C 2.035 177.985 175.900 0.082 0.000 1.145 493 Y CA 1.394 59.503 58.100 0.015 0.000 1.148 493 Y CB -0.316 37.941 38.460 -0.338 0.000 0.981 493 Y HN -0.099 nan 8.280 nan 0.000 0.507 494 L N -0.129 121.040 121.223 -0.089 0.000 2.012 494 L HA -0.275 4.282 4.340 0.362 0.000 0.210 494 L C 2.849 179.760 176.870 0.068 0.000 1.073 494 L CA 1.333 56.100 54.840 -0.122 0.000 0.748 494 L CB -1.127 40.748 42.059 -0.306 0.000 0.891 494 L HN 0.379 nan 8.230 nan 0.000 0.431 495 A N -0.676 122.189 122.820 0.076 0.000 1.908 495 A HA -0.324 4.213 4.320 0.362 0.000 0.218 495 A C 2.100 179.805 177.584 0.202 0.000 1.181 495 A CA 2.169 54.288 52.037 0.137 0.000 0.627 495 A CB -0.883 18.180 19.000 0.106 0.000 0.818 495 A HN 0.542 nan 8.150 nan 0.000 0.445 496 H N -2.211 116.926 119.070 0.112 0.000 2.321 496 H HA -0.184 4.590 4.556 0.363 0.000 0.300 496 H C 1.769 177.160 175.328 0.105 0.000 1.087 496 H CA 2.154 58.252 56.048 0.084 0.000 1.319 496 H CB -0.387 29.423 29.762 0.080 0.000 1.379 496 H HN 0.628 nan 8.280 nan 0.000 0.501 497 W N 0.606 121.860 121.300 -0.078 0.000 2.335 497 W HA -0.144 4.726 4.660 0.350 0.000 0.311 497 W C 2.488 179.205 176.519 0.329 0.000 1.213 497 W CA 1.539 58.909 57.345 0.042 0.000 1.274 497 W CB -0.582 28.828 29.460 -0.082 0.000 1.148 497 W HN 0.193 nan 8.180 nan 0.000 0.498 498 L N 0.225 121.737 121.223 0.481 0.000 2.131 498 L HA -0.253 4.304 4.340 0.362 0.000 0.210 498 L C 2.630 179.742 176.870 0.404 0.000 1.092 498 L CA 1.658 56.794 54.840 0.494 0.000 0.759 498 L CB -1.259 41.001 42.059 0.335 0.000 0.903 498 L HN 0.034 nan 8.230 nan 0.000 0.435 499 S N -0.754 115.098 115.700 0.254 0.000 2.442 499 S HA -0.169 4.518 4.470 0.362 0.000 0.236 499 S C 1.975 176.603 174.600 0.046 0.000 1.007 499 S CA 0.751 59.057 58.200 0.177 0.000 0.965 499 S CB -0.216 63.036 63.200 0.087 0.000 0.773 499 S HN 0.271 nan 8.310 nan 0.000 0.504 500 M N 1.792 121.382 119.600 -0.016 0.000 2.279 500 M HA 0.110 4.807 4.480 0.362 0.000 0.264 500 M C 2.503 178.503 176.300 -0.501 0.000 1.062 500 M CA 1.302 56.447 55.300 -0.260 0.000 1.099 500 M CB -1.916 30.574 32.600 -0.184 0.000 1.394 500 M HN 0.568 nan 8.290 nan 0.000 0.426 501 A N -0.917 121.624 122.820 -0.465 0.000 2.172 501 A HA -0.138 4.399 4.320 0.362 0.000 0.216 501 A C 1.607 178.839 177.584 -0.587 0.000 1.154 501 A CA 1.131 52.812 52.037 -0.594 0.000 0.701 501 A CB -0.796 17.943 19.000 -0.436 0.000 0.789 501 A HN 0.547 nan 8.150 nan 0.000 0.465 502 H N -1.497 117.472 119.070 -0.168 0.000 2.652 502 H HA 0.138 4.910 4.556 0.361 0.000 0.274 502 H C 0.582 175.817 175.328 -0.155 0.000 1.021 502 H CA 0.002 55.975 56.048 -0.125 0.000 1.187 502 H CB 0.107 29.830 29.762 -0.066 0.000 1.505 502 H HN 0.527 nan 8.280 nan 0.000 0.530 503 R N 3.490 123.890 120.500 -0.168 0.000 2.347 503 R HA 0.136 4.693 4.340 0.362 0.000 0.304 503 R C -2.428 173.734 176.300 -0.230 0.000 1.072 503 R CA -1.181 54.794 56.100 -0.210 0.000 0.980 503 R CB 0.372 30.476 30.300 -0.327 0.000 0.986 503 R HN -0.064 nan 8.270 nan 0.000 0.448 504 P HA 0.010 nan 4.420 nan 0.000 0.268 504 P C -0.297 176.908 177.300 -0.158 0.000 1.204 504 P CA 0.794 63.817 63.100 -0.129 0.000 0.768 504 P CB 1.208 32.859 31.700 -0.081 0.000 0.842 505 A N 1.740 124.471 122.820 -0.149 0.000 3.153 505 A HA -0.135 4.402 4.320 0.362 0.000 0.265 505 A C 0.851 178.324 177.584 -0.185 0.000 1.212 505 A CA 0.826 52.783 52.037 -0.133 0.000 1.018 505 A CB -2.384 16.566 19.000 -0.085 0.000 1.130 505 A HN 0.911 nan 8.150 nan 0.000 0.873 506 A N 0.117 122.738 122.820 -0.332 0.000 2.492 506 A HA 0.470 5.007 4.320 0.362 0.000 0.254 506 A C 0.489 177.877 177.584 -0.326 0.000 1.091 506 A CA 0.635 52.342 52.037 -0.549 0.000 0.768 506 A CB -0.011 18.327 19.000 -1.104 0.000 1.028 506 A HN 0.497 nan 8.150 nan 0.000 0.498 507 K N 3.457 123.800 120.400 -0.096 0.000 2.257 507 K HA 0.329 4.866 4.320 0.362 0.000 0.270 507 K C -0.971 175.681 176.600 0.086 0.000 1.098 507 K CA 0.071 56.360 56.287 0.004 0.000 0.943 507 K CB 0.590 33.126 32.500 0.059 0.000 1.316 507 K HN 0.630 nan 8.250 nan 0.000 0.447 508 L N 5.659 126.847 121.223 -0.059 0.000 2.361 508 L HA 0.205 4.763 4.340 0.362 0.000 0.278 508 L C -1.602 175.347 176.870 0.132 0.000 1.113 508 L CA -1.929 52.863 54.840 -0.081 0.000 0.849 508 L CB -0.078 41.768 42.059 -0.355 0.000 1.155 508 L HN 0.348 nan 8.230 nan 0.000 0.452 509 P HA 0.106 nan 4.420 nan 0.000 0.272 509 P C -0.739 176.729 177.300 0.279 0.000 1.223 509 P CA -0.424 62.830 63.100 0.257 0.000 0.784 509 P CB 0.704 32.571 31.700 0.279 0.000 0.923 510 K N 1.566 122.041 120.400 0.123 0.000 2.382 510 K HA 0.294 4.831 4.320 0.362 0.000 0.275 510 K C 0.155 176.652 176.600 -0.172 0.000 1.009 510 K CA -0.133 56.109 56.287 -0.074 0.000 0.970 510 K CB 0.265 32.609 32.500 -0.261 0.000 0.934 510 K HN 0.438 nan 8.250 nan 0.000 0.479 511 I N 3.500 123.900 120.570 -0.282 0.000 2.404 511 I HA 0.312 4.699 4.170 0.362 0.000 0.293 511 I C -0.671 175.199 176.117 -0.411 0.000 0.992 511 I CA -0.624 60.540 61.300 -0.227 0.000 1.149 511 I CB 0.806 38.780 38.000 -0.044 0.000 1.315 511 I HN 0.375 nan 8.210 nan 0.000 0.446 512 F N 3.957 123.907 119.950 0.001 0.000 2.579 512 F HA 0.496 5.239 4.527 0.360 0.000 0.324 512 F C 0.109 175.858 175.800 -0.086 0.000 1.058 512 F CA -0.692 57.308 58.000 0.001 0.000 0.944 512 F CB 1.512 40.545 39.000 0.055 0.000 1.245 512 F HN 0.369 nan 8.300 nan 0.000 0.477 513 H N 1.589 120.544 119.070 -0.192 0.000 2.609 513 H HA 0.636 5.409 4.556 0.361 0.000 0.344 513 H C -1.590 173.548 175.328 -0.317 0.000 1.040 513 H CA -0.634 55.205 56.048 -0.349 0.000 1.216 513 H CB 1.853 31.134 29.762 -0.801 0.000 1.529 513 H HN 0.572 nan 8.280 nan 0.000 0.519 514 V N 3.064 122.608 119.914 -0.617 0.000 2.815 514 V HA 0.527 4.864 4.120 0.362 0.000 0.314 514 V C -0.455 175.128 176.094 -0.852 0.000 1.064 514 V CA -0.945 60.913 62.300 -0.736 0.000 0.952 514 V CB 1.891 33.046 31.823 -1.113 0.000 1.020 514 V HN 0.764 nan 8.190 nan 0.000 0.439 515 N N 2.096 120.360 118.700 -0.727 0.000 2.577 515 N HA 0.410 5.367 4.740 0.362 0.000 0.275 515 N C -0.332 174.907 175.510 -0.452 0.000 1.091 515 N CA -0.732 52.022 53.050 -0.494 0.000 0.843 515 N CB 1.075 39.479 38.487 -0.138 0.000 1.295 515 N HN 0.896 nan 8.380 nan 0.000 0.530 516 W N 1.980 123.052 121.300 -0.380 0.000 2.937 516 W HA 0.194 5.069 4.660 0.360 0.000 0.245 516 W C 0.228 176.373 176.519 -0.624 0.000 1.306 516 W CA -0.329 56.650 57.345 -0.610 0.000 1.470 516 W CB 0.099 28.969 29.460 -0.984 0.000 1.132 516 W HN 0.425 nan 8.180 nan 0.000 0.675 517 F N 0.189 120.198 119.950 0.098 0.000 2.668 517 F HA 0.280 5.024 4.527 0.361 0.000 0.301 517 F C 1.286 177.251 175.800 0.275 0.000 1.106 517 F CA -0.777 57.365 58.000 0.237 0.000 1.289 517 F CB -0.316 38.791 39.000 0.178 0.000 1.006 517 F HN -0.372 nan 8.300 nan 0.000 0.535 518 R N 2.181 122.825 120.500 0.239 0.000 2.489 518 R HA 0.204 4.761 4.340 0.362 0.000 0.287 518 R C -0.279 176.092 176.300 0.118 0.000 1.053 518 R CA 0.234 56.399 56.100 0.107 0.000 1.036 518 R CB 0.525 30.814 30.300 -0.017 0.000 0.966 518 R HN 0.150 nan 8.270 nan 0.000 0.432 519 K N 2.245 122.652 120.400 0.011 0.000 2.238 519 K HA 0.184 4.721 4.320 0.362 0.000 0.239 519 K C -0.483 176.085 176.600 -0.053 0.000 0.987 519 K CA -1.013 55.237 56.287 -0.062 0.000 0.857 519 K CB 1.131 33.527 32.500 -0.173 0.000 1.154 519 K HN 0.641 nan 8.250 nan 0.000 0.439 520 D N 0.218 120.587 120.400 -0.051 0.000 2.403 520 D HA -0.037 4.820 4.640 0.362 0.000 0.278 520 D C 0.698 176.969 176.300 -0.049 0.000 1.230 520 D CA -0.269 53.707 54.000 -0.039 0.000 1.062 520 D CB 0.269 41.056 40.800 -0.022 0.000 1.119 520 D HN 0.519 nan 8.370 nan 0.000 0.557 521 K N -1.457 118.922 120.400 -0.035 0.000 2.432 521 K HA -0.009 4.528 4.320 0.362 0.000 0.196 521 K C 0.468 177.046 176.600 -0.037 0.000 1.038 521 K CA 0.805 57.072 56.287 -0.033 0.000 0.986 521 K CB -0.498 31.990 32.500 -0.020 0.000 0.782 521 K HN 0.496 nan 8.250 nan 0.000 0.485 522 N N -0.538 118.136 118.700 -0.043 0.000 2.200 522 N HA 0.156 5.113 4.740 0.362 0.000 0.224 522 N C 0.399 175.868 175.510 -0.069 0.000 1.179 522 N CA 0.093 53.116 53.050 -0.046 0.000 0.877 522 N CB 1.295 39.763 38.487 -0.032 0.000 1.072 522 N HN 0.325 nan 8.380 nan 0.000 0.519 523 G N 1.481 110.222 108.800 -0.099 0.000 2.179 523 G HA2 -0.272 3.905 3.960 0.362 0.000 0.220 523 G HA3 -0.272 3.905 3.960 0.362 0.000 0.220 523 G C -0.165 174.587 174.900 -0.247 0.000 0.990 523 G CA -0.255 44.749 45.100 -0.161 0.000 0.646 523 G HN 0.409 nan 8.290 nan 0.000 0.517 524 K N 0.494 120.791 120.400 -0.170 0.000 2.234 524 K HA 0.576 5.113 4.320 0.362 0.000 0.282 524 K C 0.085 176.606 176.600 -0.131 0.000 1.039 524 K CA -0.868 55.331 56.287 -0.147 0.000 0.928 524 K CB 0.196 32.673 32.500 -0.039 0.000 1.039 524 K HN -0.052 nan 8.250 nan 0.000 0.470 525 F N 3.953 123.919 119.950 0.026 0.000 2.607 525 F HA -0.051 4.693 4.527 0.362 0.000 0.374 525 F C 1.367 177.179 175.800 0.021 0.000 1.104 525 F CA 0.280 58.297 58.000 0.028 0.000 1.296 525 F CB 0.258 39.268 39.000 0.015 0.000 1.085 525 F HN 0.507 nan 8.300 nan 0.000 0.584 526 L N 2.804 124.168 121.223 0.236 0.000 2.446 526 L HA 0.025 4.583 4.340 0.362 0.000 0.219 526 L C 0.214 177.223 176.870 0.233 0.000 1.116 526 L CA 0.310 55.248 54.840 0.163 0.000 0.844 526 L CB 0.129 42.248 42.059 0.101 0.000 0.970 526 L HN 0.573 nan 8.230 nan 0.000 0.457 527 W N 1.814 123.102 121.300 -0.021 0.000 2.600 527 W HA 0.266 5.142 4.660 0.361 0.000 0.325 527 W C -1.864 174.556 176.519 -0.166 0.000 1.034 527 W CA -1.775 55.511 57.345 -0.098 0.000 1.226 527 W CB 1.954 31.343 29.460 -0.118 0.000 1.379 527 W HN -0.149 nan 8.180 nan 0.000 0.466 528 P HA -0.048 nan 4.420 nan 0.000 0.218 528 P C 0.988 177.848 177.300 -0.733 0.000 1.148 528 P CA 2.099 64.831 63.100 -0.614 0.000 0.822 528 P CB 0.469 31.803 31.700 -0.609 0.000 0.784 529 G N -0.757 107.375 108.800 -1.114 0.000 2.562 529 G HA2 -0.252 3.925 3.960 0.362 0.000 0.250 529 G HA3 -0.252 3.925 3.960 0.362 0.000 0.250 529 G C 0.112 174.613 174.900 -0.665 0.000 1.269 529 G CA -0.146 44.416 45.100 -0.897 0.000 0.919 529 G HN 0.154 nan 8.290 nan 0.000 0.574 530 F N -1.763 117.884 119.950 -0.505 0.000 2.756 530 F HA -0.292 4.451 4.527 0.361 0.000 0.240 530 F C 2.729 178.326 175.800 -0.339 0.000 1.487 530 F CA 2.868 60.645 58.000 -0.372 0.000 1.859 530 F CB -1.764 37.069 39.000 -0.277 0.000 1.319 530 F HN 1.697 nan 8.300 nan 0.000 0.230 531 G N -0.277 108.514 108.800 -0.014 0.000 2.479 531 G HA2 -0.157 4.020 3.960 0.362 0.000 0.220 531 G HA3 -0.157 4.020 3.960 0.362 0.000 0.220 531 G C 1.129 175.939 174.900 -0.149 0.000 1.115 531 G CA 1.154 46.200 45.100 -0.090 0.000 0.757 531 G HN 0.557 nan 8.290 nan 0.000 0.560 532 E N 1.200 121.268 120.200 -0.220 0.000 2.418 532 E HA -0.045 4.522 4.350 0.362 0.000 0.197 532 E C 1.781 178.315 176.600 -0.110 0.000 1.026 532 E CA 0.171 56.412 56.400 -0.265 0.000 0.862 532 E CB -0.215 29.159 29.700 -0.543 0.000 0.799 532 E HN 0.342 nan 8.360 nan 0.000 0.518 533 N N 0.960 119.544 118.700 -0.193 0.000 2.453 533 N HA -0.105 4.852 4.740 0.362 0.000 0.183 533 N C 1.717 177.171 175.510 -0.093 0.000 1.041 533 N CA 0.999 53.924 53.050 -0.209 0.000 0.900 533 N CB -0.261 37.770 38.487 -0.760 0.000 0.961 533 N HN 0.190 nan 8.380 nan 0.000 0.443 534 S N 0.881 116.506 115.700 -0.125 0.000 2.420 534 S HA -0.132 4.555 4.470 0.362 0.000 0.237 534 S C 1.840 176.289 174.600 -0.251 0.000 1.023 534 S CA 0.708 58.794 58.200 -0.190 0.000 0.991 534 S CB -0.216 62.856 63.200 -0.214 0.000 0.792 534 S HN 0.295 nan 8.310 nan 0.000 0.488 535 R N 0.521 120.964 120.500 -0.094 0.000 2.092 535 R HA 0.070 4.627 4.340 0.362 0.000 0.231 535 R C 2.297 178.615 176.300 0.029 0.000 1.119 535 R CA 1.327 57.410 56.100 -0.027 0.000 0.970 535 R CB -0.662 29.738 30.300 0.167 0.000 0.864 535 R HN 0.359 nan 8.270 nan 0.000 0.440 536 V N 1.451 121.418 119.914 0.089 0.000 2.379 536 V HA -0.178 4.159 4.120 0.362 0.000 0.245 536 V C 2.263 178.412 176.094 0.092 0.000 1.044 536 V CA 1.493 63.859 62.300 0.111 0.000 1.036 536 V CB -0.401 31.537 31.823 0.192 0.000 0.664 536 V HN 0.273 nan 8.190 nan 0.000 0.453 537 L N 0.057 121.290 121.223 0.016 0.000 2.079 537 L HA -0.229 4.328 4.340 0.362 0.000 0.210 537 L C 2.597 179.424 176.870 -0.072 0.000 1.081 537 L CA 2.107 56.932 54.840 -0.026 0.000 0.752 537 L CB -0.652 41.391 42.059 -0.027 0.000 0.896 537 L HN 0.476 nan 8.230 nan 0.000 0.433 538 E N -0.116 119.916 120.200 -0.280 0.000 2.085 538 E HA -0.299 4.268 4.350 0.362 0.000 0.194 538 E C 2.132 178.775 176.600 0.071 0.000 0.994 538 E CA 1.700 57.886 56.400 -0.356 0.000 0.801 538 E CB -0.265 29.086 29.700 -0.582 0.000 0.743 538 E HN 0.476 nan 8.360 nan 0.000 0.453 539 W N 0.927 122.188 121.300 -0.066 0.000 2.358 539 W HA -0.158 4.719 4.660 0.360 0.000 0.303 539 W C 2.112 178.634 176.519 0.005 0.000 1.208 539 W CA 1.887 59.230 57.345 -0.003 0.000 1.274 539 W CB -0.177 29.271 29.460 -0.021 0.000 1.138 539 W HN 0.084 nan 8.180 nan 0.000 0.515 540 M N -1.109 118.425 119.600 -0.109 0.000 2.117 540 M HA -0.166 4.532 4.480 0.362 0.000 0.262 540 M C 2.129 178.369 176.300 -0.100 0.000 1.065 540 M CA 1.694 56.708 55.300 -0.476 0.000 1.114 540 M CB -0.985 31.141 32.600 -0.791 0.000 1.361 540 M HN 0.017 nan 8.290 nan 0.000 0.408 541 F N 0.992 120.896 119.950 -0.075 0.000 2.095 541 F HA -0.139 4.604 4.527 0.362 0.000 0.298 541 F C 2.260 178.078 175.800 0.030 0.000 1.104 541 F CA 1.968 60.005 58.000 0.063 0.000 1.232 541 F CB -0.832 38.311 39.000 0.238 0.000 0.987 541 F HN 0.089 nan 8.300 nan 0.000 0.475 542 G N -0.080 108.891 108.800 0.285 0.000 2.408 542 G HA2 -0.193 3.984 3.960 0.362 0.000 0.217 542 G HA3 -0.193 3.984 3.960 0.362 0.000 0.217 542 G C 1.836 176.698 174.900 -0.063 0.000 1.150 542 G CA 0.339 45.518 45.100 0.132 0.000 0.776 542 G HN 0.141 nan 8.290 nan 0.000 0.542 543 R N 0.324 120.680 120.500 -0.240 0.000 2.081 543 R HA 0.054 4.611 4.340 0.362 0.000 0.235 543 R C 2.585 178.835 176.300 -0.084 0.000 1.131 543 R CA 0.704 56.650 56.100 -0.258 0.000 0.960 543 R CB -0.879 29.163 30.300 -0.430 0.000 0.856 543 R HN 0.457 nan 8.270 nan 0.000 0.436 544 I N 0.975 121.539 120.570 -0.010 0.000 2.264 544 I HA -0.246 4.141 4.170 0.362 0.000 0.248 544 I C 1.867 177.950 176.117 -0.058 0.000 1.111 544 I CA 1.393 62.681 61.300 -0.020 0.000 1.382 544 I CB -0.256 37.717 38.000 -0.046 0.000 1.060 544 I HN 0.206 nan 8.210 nan 0.000 0.418 545 E N 0.286 120.454 120.200 -0.054 0.000 2.427 545 E HA -0.016 4.551 4.350 0.362 0.000 0.196 545 E C 1.500 178.092 176.600 -0.015 0.000 1.028 545 E CA 0.625 57.012 56.400 -0.021 0.000 0.864 545 E CB 0.137 29.869 29.700 0.053 0.000 0.813 545 E HN 0.635 nan 8.360 nan 0.000 0.514 546 G N 2.017 110.795 108.800 -0.038 0.000 2.163 546 G HA2 -0.266 3.911 3.960 0.362 0.000 0.213 546 G HA3 -0.266 3.911 3.960 0.362 0.000 0.213 546 G C -0.026 174.848 174.900 -0.043 0.000 0.991 546 G CA -0.006 45.068 45.100 -0.044 0.000 0.653 546 G HN 0.249 nan 8.290 nan 0.000 0.518 547 E N 0.654 120.831 120.200 -0.038 0.000 2.568 547 E HA 0.264 4.832 4.350 0.362 0.000 0.262 547 E C 0.328 176.907 176.600 -0.037 0.000 0.961 547 E CA 0.319 56.706 56.400 -0.021 0.000 0.945 547 E CB 0.375 30.064 29.700 -0.018 0.000 0.924 547 E HN 0.209 nan 8.360 nan 0.000 0.467 548 D N 2.032 122.431 120.400 -0.001 0.000 2.801 548 D HA 0.035 4.892 4.640 0.362 0.000 0.232 548 D C -0.186 176.146 176.300 0.053 0.000 1.128 548 D CA 0.075 54.081 54.000 0.008 0.000 1.003 548 D CB -0.329 40.481 40.800 0.017 0.000 1.110 548 D HN 0.283 nan 8.370 nan 0.000 0.477 549 S N -0.437 115.307 115.700 0.074 0.000 2.650 549 S HA 0.554 5.242 4.470 0.362 0.000 0.240 549 S C 0.470 175.302 174.600 0.387 0.000 1.007 549 S CA -0.581 57.747 58.200 0.213 0.000 0.984 549 S CB 0.669 64.007 63.200 0.231 0.000 0.910 549 S HN 0.265 nan 8.310 nan 0.000 0.509 550 A N 1.458 124.434 122.820 0.260 0.000 2.374 550 A HA 0.784 5.321 4.320 0.362 0.000 0.317 550 A C -0.582 177.167 177.584 0.274 0.000 1.094 550 A CA -0.811 51.446 52.037 0.367 0.000 0.765 550 A CB 1.530 20.698 19.000 0.281 0.000 1.268 550 A HN 0.355 nan 8.150 nan 0.000 0.438 551 K N 2.469 123.052 120.400 0.305 0.000 2.292 551 K HA 0.535 5.072 4.320 0.362 0.000 0.257 551 K C -1.266 175.501 176.600 0.277 0.000 0.940 551 K CA -0.584 55.840 56.287 0.227 0.000 0.811 551 K CB 1.248 33.799 32.500 0.085 0.000 1.120 551 K HN 0.724 nan 8.250 nan 0.000 0.428 552 L N 4.545 125.889 121.223 0.201 0.000 2.367 552 L HA 0.207 4.764 4.340 0.362 0.000 0.275 552 L C -0.019 176.791 176.870 -0.099 0.000 1.129 552 L CA 0.388 55.197 54.840 -0.051 0.000 0.839 552 L CB 0.964 42.987 42.059 -0.060 0.000 1.133 552 L HN 0.959 nan 8.230 nan 0.000 0.453 553 T N 0.831 115.273 114.554 -0.186 0.000 2.907 553 T HA 0.466 5.033 4.350 0.362 0.000 0.290 553 T C -2.139 172.404 174.700 -0.262 0.000 1.066 553 T CA -1.605 60.383 62.100 -0.188 0.000 1.012 553 T CB 1.763 70.522 68.868 -0.182 0.000 1.184 553 T HN 0.278 nan 8.240 nan 0.000 0.522 554 P HA 0.015 nan 4.420 nan 0.000 0.219 554 P C 1.418 178.489 177.300 -0.382 0.000 1.146 554 P CA 0.887 63.811 63.100 -0.293 0.000 0.808 554 P CB -0.256 31.285 31.700 -0.265 0.000 0.779 555 I N -6.220 114.047 120.570 -0.505 0.000 3.860 555 I HA 0.450 4.837 4.170 0.362 0.000 0.319 555 I C 0.850 176.795 176.117 -0.287 0.000 1.279 555 I CA 0.137 61.074 61.300 -0.605 0.000 1.220 555 I CB 0.038 37.292 38.000 -1.242 0.000 1.027 555 I HN -0.062 nan 8.210 nan 0.000 0.428 556 G N 0.333 109.005 108.800 -0.214 0.000 2.346 556 G HA2 0.045 4.222 3.960 0.362 0.000 0.294 556 G HA3 0.045 4.222 3.960 0.362 0.000 0.294 556 G C -1.609 173.249 174.900 -0.069 0.000 1.294 556 G CA -0.961 44.139 45.100 0.001 0.000 0.962 556 G HN 0.128 nan 8.290 nan 0.000 0.508 557 Y N 0.159 120.617 120.300 0.265 0.000 2.335 557 Y HA 0.475 5.242 4.550 0.361 0.000 0.331 557 Y C 1.269 177.385 175.900 0.359 0.000 1.094 557 Y CA 0.139 58.406 58.100 0.278 0.000 1.253 557 Y CB 1.492 40.144 38.460 0.320 0.000 1.203 557 Y HN 0.655 nan 8.280 nan 0.000 0.508 558 V N 1.125 121.239 119.914 0.333 0.000 2.994 558 V HA 0.680 5.018 4.120 0.362 0.000 0.318 558 V C -2.853 173.150 176.094 -0.151 0.000 1.085 558 V CA -3.625 58.700 62.300 0.042 0.000 0.998 558 V CB 1.688 33.464 31.823 -0.079 0.000 1.063 558 V HN 0.450 nan 8.190 nan 0.000 0.447 559 P HA 0.128 nan 4.420 nan 0.000 0.262 559 P C -0.305 176.774 177.300 -0.369 0.000 1.182 559 P CA 0.232 62.874 63.100 -0.763 0.000 0.761 559 P CB 0.196 31.137 31.700 -1.266 0.000 0.795 560 K N 1.958 122.319 120.400 -0.064 0.000 2.344 560 K HA -0.039 4.498 4.320 0.362 0.000 0.260 560 K C 0.581 177.112 176.600 -0.114 0.000 0.988 560 K CA -0.018 56.244 56.287 -0.042 0.000 0.909 560 K CB 0.204 32.737 32.500 0.055 0.000 0.968 560 K HN 0.491 nan 8.250 nan 0.000 0.505 561 E N 1.551 121.708 120.200 -0.072 0.000 2.558 561 E HA -0.200 4.367 4.350 0.362 0.000 0.255 561 E C -0.615 175.969 176.600 -0.027 0.000 0.968 561 E CA 0.383 56.749 56.400 -0.056 0.000 0.939 561 E CB 0.099 29.787 29.700 -0.021 0.000 0.921 561 E HN 0.472 nan 8.360 nan 0.000 0.477 562 D N 1.749 122.133 120.400 -0.027 0.000 3.046 562 D HA -0.282 4.575 4.640 0.362 0.000 0.210 562 D C 0.719 177.032 176.300 0.022 0.000 1.124 562 D CA 1.043 55.047 54.000 0.006 0.000 0.986 562 D CB -1.299 39.514 40.800 0.022 0.000 1.118 562 D HN 0.515 nan 8.370 nan 0.000 0.416 563 A N 0.114 122.936 122.820 0.003 0.000 1.968 563 A HA 0.092 4.629 4.320 0.362 0.000 0.217 563 A C 1.348 178.988 177.584 0.094 0.000 1.169 563 A CA 0.467 52.551 52.037 0.077 0.000 0.638 563 A CB 0.032 19.108 19.000 0.127 0.000 0.812 563 A HN 0.327 nan 8.150 nan 0.000 0.446 564 L N 0.756 121.976 121.223 -0.006 0.000 2.380 564 L HA 0.098 4.655 4.340 0.362 0.000 0.273 564 L C 0.435 177.352 176.870 0.078 0.000 1.138 564 L CA -0.326 54.534 54.840 0.034 0.000 0.832 564 L CB 0.535 42.593 42.059 -0.001 0.000 1.124 564 L HN 0.414 nan 8.230 nan 0.000 0.454 565 N N 3.329 122.083 118.700 0.089 0.000 2.399 565 N HA 0.163 5.120 4.740 0.362 0.000 0.259 565 N C 0.284 175.849 175.510 0.091 0.000 1.160 565 N CA -0.299 52.796 53.050 0.075 0.000 0.946 565 N CB 0.479 38.997 38.487 0.050 0.000 1.156 565 N HN 0.546 nan 8.380 nan 0.000 0.489 566 L N 2.222 123.496 121.223 0.085 0.000 2.959 566 L HA 0.235 4.793 4.340 0.362 0.000 0.259 566 L C 0.354 177.248 176.870 0.040 0.000 1.185 566 L CA -0.363 54.531 54.840 0.090 0.000 0.998 566 L CB -0.015 42.115 42.059 0.118 0.000 1.337 566 L HN 0.425 nan 8.230 nan 0.000 0.555 567 K N 1.253 121.671 120.400 0.030 0.000 2.451 567 K HA 0.313 4.850 4.320 0.362 0.000 0.280 567 K C 1.180 177.776 176.600 -0.006 0.000 1.020 567 K CA 1.169 57.465 56.287 0.015 0.000 1.008 567 K CB 0.448 32.960 32.500 0.021 0.000 0.917 567 K HN 0.212 nan 8.250 nan 0.000 0.478 568 G N 3.002 111.794 108.800 -0.014 0.000 2.176 568 G HA2 -0.237 3.941 3.960 0.362 0.000 0.253 568 G HA3 -0.237 3.941 3.960 0.362 0.000 0.253 568 G C 0.208 175.076 174.900 -0.053 0.000 0.979 568 G CA 0.243 45.325 45.100 -0.031 0.000 0.641 568 G HN 0.498 nan 8.290 nan 0.000 0.530 569 L N 0.726 121.918 121.223 -0.053 0.000 2.640 569 L HA 0.553 5.110 4.340 0.362 0.000 0.230 569 L C 1.989 178.827 176.870 -0.055 0.000 1.123 569 L CA 1.795 56.584 54.840 -0.085 0.000 0.900 569 L CB -0.163 41.831 42.059 -0.109 0.000 1.146 569 L HN 1.426 nan 8.230 nan 0.000 0.484 570 G N -0.142 108.642 108.800 -0.027 0.000 2.528 570 G HA2 -0.331 3.846 3.960 0.362 0.000 0.262 570 G HA3 -0.331 3.846 3.960 0.362 0.000 0.262 570 G C -0.144 174.759 174.900 0.004 0.000 1.200 570 G CA 0.075 45.167 45.100 -0.013 0.000 0.951 570 G HN 0.191 nan 8.290 nan 0.000 0.566 571 D N 0.653 121.058 120.400 0.009 0.000 2.500 571 D HA 0.443 5.300 4.640 0.362 0.000 0.219 571 D C 0.502 176.823 176.300 0.036 0.000 1.137 571 D CA 0.216 54.230 54.000 0.024 0.000 0.946 571 D CB 0.633 41.446 40.800 0.021 0.000 1.022 571 D HN 0.748 nan 8.370 nan 0.000 0.518 572 V N 4.116 124.065 119.914 0.057 0.000 2.555 572 V HA 0.161 4.498 4.120 0.362 0.000 0.286 572 V C 0.351 176.506 176.094 0.102 0.000 1.044 572 V CA -0.610 61.747 62.300 0.095 0.000 1.026 572 V CB 1.000 32.922 31.823 0.167 0.000 0.981 572 V HN 0.384 nan 8.190 nan 0.000 0.480 573 N N 5.532 124.287 118.700 0.091 0.000 2.671 573 N HA 0.069 5.026 4.740 0.362 0.000 0.274 573 N C 0.789 176.354 175.510 0.091 0.000 1.188 573 N CA 0.283 53.378 53.050 0.075 0.000 1.065 573 N CB 0.673 39.191 38.487 0.053 0.000 1.415 573 N HN 0.625 nan 8.380 nan 0.000 0.511 574 V N 2.391 122.377 119.914 0.120 0.000 2.626 574 V HA -0.195 4.142 4.120 0.362 0.000 0.252 574 V C 1.717 177.914 176.094 0.172 0.000 1.067 574 V CA 1.477 63.889 62.300 0.186 0.000 1.081 574 V CB -0.361 31.578 31.823 0.193 0.000 0.686 574 V HN 0.564 nan 8.190 nan 0.000 0.468 575 E N 0.067 120.330 120.200 0.104 0.000 2.051 575 E HA -0.206 4.361 4.350 0.362 0.000 0.192 575 E C 2.275 178.915 176.600 0.066 0.000 0.991 575 E CA 1.346 57.795 56.400 0.082 0.000 0.799 575 E CB -0.176 29.556 29.700 0.053 0.000 0.748 575 E HN 0.551 nan 8.360 nan 0.000 0.449 576 E N 0.488 120.712 120.200 0.040 0.000 2.072 576 E HA -0.130 4.437 4.350 0.362 0.000 0.190 576 E C 2.166 178.747 176.600 -0.032 0.000 0.982 576 E CA 0.502 56.905 56.400 0.006 0.000 0.803 576 E CB -0.093 29.608 29.700 0.001 0.000 0.755 576 E HN 0.126 nan 8.360 nan 0.000 0.453 577 L N -0.267 120.923 121.223 -0.055 0.000 2.131 577 L HA -0.103 4.454 4.340 0.362 0.000 0.210 577 L C 1.407 178.026 176.870 -0.418 0.000 1.092 577 L CA 1.538 56.242 54.840 -0.227 0.000 0.759 577 L CB -0.143 41.766 42.059 -0.250 0.000 0.903 577 L HN -0.023 nan 8.230 nan 0.000 0.435 578 F N -0.772 119.153 119.950 -0.041 0.000 2.654 578 F HA 0.427 5.171 4.527 0.362 0.000 0.303 578 F C 1.396 177.176 175.800 -0.033 0.000 1.099 578 F CA -0.372 57.597 58.000 -0.052 0.000 1.270 578 F CB -0.417 38.536 39.000 -0.078 0.000 1.024 578 F HN -0.017 nan 8.300 nan 0.000 0.548 579 G N 1.198 110.056 108.800 0.097 0.000 2.406 579 G HA2 0.445 4.622 3.960 0.362 0.000 0.251 579 G HA3 0.445 4.622 3.960 0.362 0.000 0.251 579 G C -0.543 174.401 174.900 0.074 0.000 1.271 579 G CA -0.119 45.024 45.100 0.071 0.000 0.859 579 G HN 0.166 nan 8.290 nan 0.000 0.540 580 I N 1.345 121.962 120.570 0.079 0.000 2.410 580 I HA 0.236 4.623 4.170 0.362 0.000 0.286 580 I C 0.238 176.455 176.117 0.167 0.000 1.009 580 I CA -0.475 60.900 61.300 0.125 0.000 1.111 580 I CB 2.097 40.069 38.000 -0.046 0.000 1.262 580 I HN 0.459 nan 8.210 nan 0.000 0.443 581 S N 5.564 121.444 115.700 0.300 0.000 2.480 581 S HA 0.263 4.950 4.470 0.362 0.000 0.286 581 S C 1.031 175.835 174.600 0.340 0.000 1.180 581 S CA -0.567 57.785 58.200 0.254 0.000 1.075 581 S CB 1.276 64.605 63.200 0.214 0.000 0.996 581 S HN 0.747 nan 8.310 nan 0.000 0.487 582 K N 3.130 123.652 120.400 0.204 0.000 2.057 582 K HA -0.144 4.393 4.320 0.362 0.000 0.207 582 K C 1.337 178.046 176.600 0.182 0.000 1.049 582 K CA 1.934 58.328 56.287 0.179 0.000 0.931 582 K CB -0.169 32.388 32.500 0.096 0.000 0.714 582 K HN 0.674 nan 8.250 nan 0.000 0.440 583 E N 0.179 120.467 120.200 0.146 0.000 2.058 583 E HA -0.185 4.382 4.350 0.362 0.000 0.194 583 E C 1.625 178.281 176.600 0.093 0.000 0.997 583 E CA 1.484 57.944 56.400 0.100 0.000 0.801 583 E CB -0.372 29.377 29.700 0.082 0.000 0.746 583 E HN 0.355 nan 8.360 nan 0.000 0.450 584 F N -0.918 119.033 119.950 0.002 0.000 2.102 584 F HA -0.172 4.572 4.527 0.361 0.000 0.298 584 F C 1.570 177.245 175.800 -0.208 0.000 1.105 584 F CA 1.488 59.409 58.000 -0.131 0.000 1.239 584 F CB -0.204 38.677 39.000 -0.198 0.000 0.991 584 F HN 0.048 nan 8.300 nan 0.000 0.474 585 W N 0.936 122.320 121.300 0.141 0.000 2.584 585 W HA 0.003 4.879 4.660 0.361 0.000 0.264 585 W C 2.318 178.815 176.519 -0.037 0.000 1.264 585 W CA 0.958 58.337 57.345 0.056 0.000 1.306 585 W CB -0.416 29.109 29.460 0.108 0.000 1.110 585 W HN 0.049 nan 8.180 nan 0.000 0.606 586 E N 0.618 120.892 120.200 0.123 0.000 2.031 586 E HA -0.282 4.285 4.350 0.362 0.000 0.193 586 E C 1.966 178.539 176.600 -0.044 0.000 0.994 586 E CA 1.606 58.032 56.400 0.044 0.000 0.800 586 E CB -0.185 29.533 29.700 0.029 0.000 0.752 586 E HN 0.108 nan 8.360 nan 0.000 0.447 587 K N 1.249 121.559 120.400 -0.151 0.000 2.057 587 K HA -0.230 4.307 4.320 0.362 0.000 0.207 587 K C 2.029 178.462 176.600 -0.279 0.000 1.049 587 K CA 1.672 57.823 56.287 -0.225 0.000 0.931 587 K CB -0.014 32.292 32.500 -0.323 0.000 0.714 587 K HN -0.097 nan 8.250 nan 0.000 0.440 588 E N 0.133 120.067 120.200 -0.443 0.000 2.031 588 E HA -0.155 4.412 4.350 0.362 0.000 0.193 588 E C 1.878 178.417 176.600 -0.101 0.000 0.994 588 E CA 1.433 57.577 56.400 -0.427 0.000 0.800 588 E CB -0.492 28.777 29.700 -0.719 0.000 0.752 588 E HN 0.156 nan 8.360 nan 0.000 0.447 589 V N 0.612 120.549 119.914 0.038 0.000 2.515 589 V HA -0.197 4.140 4.120 0.362 0.000 0.250 589 V C 2.244 178.393 176.094 0.093 0.000 1.058 589 V CA 2.303 64.692 62.300 0.149 0.000 1.064 589 V CB -0.351 31.587 31.823 0.192 0.000 0.675 589 V HN 0.418 nan 8.190 nan 0.000 0.461 590 E N -0.509 119.709 120.200 0.030 0.000 2.077 590 E HA -0.271 4.296 4.350 0.362 0.000 0.193 590 E C 2.250 178.869 176.600 0.032 0.000 0.989 590 E CA 1.467 57.879 56.400 0.019 0.000 0.800 590 E CB -0.167 29.524 29.700 -0.015 0.000 0.746 590 E HN 0.633 nan 8.360 nan 0.000 0.452 591 E N 0.596 120.804 120.200 0.013 0.000 2.107 591 E HA -0.149 4.418 4.350 0.362 0.000 0.191 591 E C 2.159 178.847 176.600 0.146 0.000 0.982 591 E CA 0.773 57.203 56.400 0.049 0.000 0.809 591 E CB -0.091 29.598 29.700 -0.018 0.000 0.756 591 E HN 0.386 nan 8.360 nan 0.000 0.459 592 I N 1.124 121.791 120.570 0.162 0.000 2.252 592 I HA -0.244 4.143 4.170 0.362 0.000 0.245 592 I C 2.374 178.620 176.117 0.215 0.000 1.102 592 I CA 1.393 62.837 61.300 0.240 0.000 1.385 592 I CB -0.300 37.847 38.000 0.245 0.000 1.064 592 I HN 0.082 nan 8.210 nan 0.000 0.414 593 D N 1.333 121.832 120.400 0.164 0.000 2.092 593 D HA -0.221 4.636 4.640 0.362 0.000 0.193 593 D C 2.137 178.483 176.300 0.075 0.000 0.994 593 D CA 1.739 55.808 54.000 0.115 0.000 0.828 593 D CB 0.043 40.890 40.800 0.078 0.000 0.963 593 D HN 0.160 nan 8.370 nan 0.000 0.450 594 K N -1.082 119.359 120.400 0.068 0.000 2.063 594 K HA -0.206 4.331 4.320 0.362 0.000 0.208 594 K C 2.290 178.906 176.600 0.027 0.000 1.048 594 K CA 1.338 57.649 56.287 0.040 0.000 0.928 594 K CB -0.489 32.037 32.500 0.043 0.000 0.713 594 K HN 0.313 nan 8.250 nan 0.000 0.442 595 Y N 1.445 121.695 120.300 -0.084 0.000 2.145 595 Y HA -0.220 4.545 4.550 0.359 0.000 0.286 595 Y C 1.907 177.722 175.900 -0.140 0.000 1.145 595 Y CA 1.214 59.191 58.100 -0.204 0.000 1.148 595 Y CB -0.166 37.954 38.460 -0.566 0.000 0.981 595 Y HN -0.115 nan 8.280 nan 0.000 0.507 596 L N 0.969 122.138 121.223 -0.089 0.000 2.093 596 L HA -0.146 4.411 4.340 0.362 0.000 0.208 596 L C 2.507 179.303 176.870 -0.124 0.000 1.085 596 L CA 1.941 56.717 54.840 -0.106 0.000 0.755 596 L CB -1.295 40.819 42.059 0.091 0.000 0.904 596 L HN 0.417 nan 8.230 nan 0.000 0.435 597 E N -0.523 119.633 120.200 -0.074 0.000 2.058 597 E HA -0.291 4.276 4.350 0.362 0.000 0.194 597 E C 1.755 178.292 176.600 -0.104 0.000 0.997 597 E CA 1.735 58.094 56.400 -0.068 0.000 0.801 597 E CB 0.059 29.736 29.700 -0.038 0.000 0.746 597 E HN 0.518 nan 8.360 nan 0.000 0.450 598 D N -0.357 119.960 120.400 -0.139 0.000 2.077 598 D HA -0.164 4.693 4.640 0.362 0.000 0.196 598 D C 2.029 178.212 176.300 -0.194 0.000 0.986 598 D CA 1.336 55.249 54.000 -0.145 0.000 0.829 598 D CB -0.038 40.683 40.800 -0.133 0.000 0.983 598 D HN 0.084 nan 8.370 nan 0.000 0.453 599 Q N -0.460 119.136 119.800 -0.341 0.000 2.245 599 Q HA 0.031 4.588 4.340 0.362 0.000 0.201 599 Q C 2.171 178.044 176.000 -0.210 0.000 0.955 599 Q CA 0.593 56.189 55.803 -0.346 0.000 0.870 599 Q CB 0.589 28.919 28.738 -0.679 0.000 0.945 599 Q HN 0.340 nan 8.270 nan 0.000 0.461 600 V N 0.016 119.820 119.914 -0.183 0.000 2.908 600 V HA 0.022 4.359 4.120 0.362 0.000 0.240 600 V C 1.177 177.214 176.094 -0.094 0.000 1.117 600 V CA 0.640 62.877 62.300 -0.104 0.000 1.133 600 V CB -0.334 31.440 31.823 -0.082 0.000 0.857 600 V HN 0.271 nan 8.190 nan 0.000 0.478 601 N N 1.061 119.706 118.700 -0.091 0.000 1.293 601 N HA -0.378 4.579 4.740 0.362 0.000 0.140 601 N C 1.192 176.669 175.510 -0.056 0.000 0.753 601 N CA 2.583 55.591 53.050 -0.070 0.000 0.979 601 N CB -1.547 36.897 38.487 -0.072 0.000 1.228 601 N HN 0.424 nan 8.380 nan 0.000 0.509 602 A N -0.505 122.284 122.820 -0.051 0.000 2.121 602 A HA -0.037 4.500 4.320 0.362 0.000 0.218 602 A C 1.149 178.712 177.584 -0.036 0.000 1.154 602 A CA 1.983 53.997 52.037 -0.038 0.000 0.679 602 A CB -0.317 18.661 19.000 -0.037 0.000 0.795 602 A HN 0.586 nan 8.150 nan 0.000 0.458 603 D N -0.823 119.546 120.400 -0.052 0.000 2.340 603 D HA 0.134 4.991 4.640 0.362 0.000 0.217 603 D C -0.104 176.154 176.300 -0.069 0.000 1.081 603 D CA -0.124 53.843 54.000 -0.055 0.000 0.842 603 D CB 0.157 40.916 40.800 -0.067 0.000 0.934 603 D HN 0.323 nan 8.370 nan 0.000 0.511 604 L N 2.566 123.753 121.223 -0.060 0.000 2.369 604 L HA 0.252 4.810 4.340 0.362 0.000 0.279 604 L C -2.350 174.514 176.870 -0.010 0.000 1.108 604 L CA -1.305 53.501 54.840 -0.057 0.000 0.852 604 L CB 0.437 42.471 42.059 -0.041 0.000 1.169 604 L HN -0.272 nan 8.230 nan 0.000 0.452 605 P HA -0.004 nan 4.420 nan 0.000 0.269 605 P C 0.087 177.461 177.300 0.122 0.000 1.209 605 P CA 0.055 63.199 63.100 0.075 0.000 0.776 605 P CB 0.321 32.070 31.700 0.081 0.000 0.876 606 Y N 2.293 122.608 120.300 0.025 0.000 2.102 606 Y HA -0.322 4.445 4.550 0.361 0.000 0.280 606 Y C 1.982 177.907 175.900 0.042 0.000 1.178 606 Y CA 1.960 60.077 58.100 0.027 0.000 1.146 606 Y CB -0.159 38.316 38.460 0.025 0.000 0.968 606 Y HN 0.460 nan 8.280 nan 0.000 0.504 607 E N -0.511 119.881 120.200 0.320 0.000 2.153 607 E HA -0.211 4.357 4.350 0.362 0.000 0.194 607 E C 2.006 178.690 176.600 0.141 0.000 0.988 607 E CA 1.111 57.657 56.400 0.242 0.000 0.811 607 E CB -0.084 29.762 29.700 0.244 0.000 0.746 607 E HN 0.474 nan 8.360 nan 0.000 0.466 608 I N 1.272 121.921 120.570 0.133 0.000 2.286 608 I HA -0.180 4.207 4.170 0.362 0.000 0.245 608 I C 2.157 178.326 176.117 0.087 0.000 1.104 608 I CA 1.253 62.648 61.300 0.159 0.000 1.397 608 I CB -1.031 37.069 38.000 0.167 0.000 1.072 608 I HN 0.131 nan 8.210 nan 0.000 0.417 609 E N 0.525 120.732 120.200 0.011 0.000 2.085 609 E HA -0.262 4.305 4.350 0.362 0.000 0.194 609 E C 2.326 178.850 176.600 -0.127 0.000 0.994 609 E CA 1.153 57.512 56.400 -0.068 0.000 0.801 609 E CB -0.138 29.473 29.700 -0.148 0.000 0.743 609 E HN 0.359 nan 8.360 nan 0.000 0.453 610 R N 0.828 121.246 120.500 -0.138 0.000 2.081 610 R HA -0.156 4.401 4.340 0.362 0.000 0.235 610 R C 2.078 178.301 176.300 -0.129 0.000 1.131 610 R CA 1.252 57.279 56.100 -0.121 0.000 0.960 610 R CB 0.113 30.400 30.300 -0.021 0.000 0.856 610 R HN 0.023 nan 8.270 nan 0.000 0.436 611 E N 0.752 120.867 120.200 -0.142 0.000 2.110 611 E HA -0.201 4.367 4.350 0.362 0.000 0.193 611 E C 1.932 178.183 176.600 -0.580 0.000 0.988 611 E CA 0.808 57.025 56.400 -0.305 0.000 0.804 611 E CB -0.312 29.234 29.700 -0.257 0.000 0.745 611 E HN 0.239 nan 8.360 nan 0.000 0.458 612 L N 1.273 122.188 121.223 -0.515 0.000 2.017 612 L HA -0.167 4.390 4.340 0.362 0.000 0.208 612 L C 2.292 179.044 176.870 -0.198 0.000 1.073 612 L CA 1.765 56.386 54.840 -0.365 0.000 0.745 612 L CB -0.341 41.695 42.059 -0.038 0.000 0.894 612 L HN -0.067 nan 8.230 nan 0.000 0.432 613 R N -0.654 119.755 120.500 -0.151 0.000 2.091 613 R HA -0.133 4.424 4.340 0.362 0.000 0.238 613 R C 2.283 178.511 176.300 -0.119 0.000 1.136 613 R CA 1.458 57.492 56.100 -0.110 0.000 0.959 613 R CB -0.739 29.499 30.300 -0.103 0.000 0.856 613 R HN 0.539 nan 8.270 nan 0.000 0.437 614 A N 0.976 123.702 122.820 -0.156 0.000 1.877 614 A HA -0.161 4.376 4.320 0.362 0.000 0.216 614 A C 2.058 179.539 177.584 -0.172 0.000 1.186 614 A CA 1.198 53.142 52.037 -0.156 0.000 0.620 614 A CB -0.554 18.341 19.000 -0.175 0.000 0.822 614 A HN 0.250 nan 8.150 nan 0.000 0.443 615 L N -0.017 121.075 121.223 -0.218 0.000 2.017 615 L HA -0.153 4.404 4.340 0.362 0.000 0.208 615 L C 2.207 179.030 176.870 -0.078 0.000 1.073 615 L CA 2.319 57.059 54.840 -0.166 0.000 0.745 615 L CB -0.655 41.311 42.059 -0.154 0.000 0.894 615 L HN 0.361 nan 8.230 nan 0.000 0.432 616 K N -0.940 119.427 120.400 -0.054 0.000 2.074 616 K HA -0.281 4.256 4.320 0.362 0.000 0.209 616 K C 2.192 178.774 176.600 -0.030 0.000 1.048 616 K CA 1.902 58.179 56.287 -0.016 0.000 0.926 616 K CB -0.230 32.260 32.500 -0.017 0.000 0.713 616 K HN 0.352 nan 8.250 nan 0.000 0.444 617 Q N 1.087 120.854 119.800 -0.055 0.000 2.046 617 Q HA -0.093 4.464 4.340 0.362 0.000 0.200 617 Q C 1.877 177.843 176.000 -0.058 0.000 0.975 617 Q CA 1.529 57.301 55.803 -0.053 0.000 0.836 617 Q CB 0.069 28.771 28.738 -0.061 0.000 0.896 617 Q HN 0.173 nan 8.270 nan 0.000 0.428 618 R N -0.356 120.093 120.500 -0.084 0.000 2.081 618 R HA -0.085 4.472 4.340 0.362 0.000 0.235 618 R C 2.322 178.577 176.300 -0.076 0.000 1.131 618 R CA 1.580 57.621 56.100 -0.097 0.000 0.960 618 R CB -0.431 29.780 30.300 -0.148 0.000 0.856 618 R HN 0.356 nan 8.270 nan 0.000 0.436 619 I N 0.745 121.283 120.570 -0.053 0.000 2.252 619 I HA -0.270 4.117 4.170 0.362 0.000 0.245 619 I C 2.591 178.709 176.117 0.002 0.000 1.102 619 I CA 1.465 62.758 61.300 -0.011 0.000 1.385 619 I CB -0.405 37.627 38.000 0.053 0.000 1.064 619 I HN 0.212 nan 8.210 nan 0.000 0.414 620 S N 0.344 116.041 115.700 -0.005 0.000 2.442 620 S HA -0.194 4.494 4.470 0.362 0.000 0.236 620 S C 1.809 176.404 174.600 -0.008 0.000 1.007 620 S CA 0.932 59.131 58.200 -0.002 0.000 0.965 620 S CB -0.222 62.973 63.200 -0.008 0.000 0.773 620 S HN 0.438 nan 8.310 nan 0.000 0.504 621 Q N 0.910 120.698 119.800 -0.019 0.000 2.360 621 Q HA 0.328 4.885 4.340 0.362 0.000 0.202 621 Q C 1.037 177.025 176.000 -0.019 0.000 0.915 621 Q CA 0.101 55.891 55.803 -0.021 0.000 0.943 621 Q CB -0.040 28.680 28.738 -0.030 0.000 1.064 621 Q HN 0.869 nan 8.270 nan 0.000 0.511 622 M N 0.000 119.590 119.600 -0.016 0.000 2.572 622 M HA 0.000 4.697 4.480 0.362 0.000 0.227 622 M CA 0.000 55.292 55.300 -0.012 0.000 0.988 622 M CB 0.000 32.590 32.600 -0.017 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411