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 1uh2_1_A DATA FIRST_RESID 1 DATA SEQUENCE AANDNNVEWN GLFHDQGPLF DNAPEPTSTQ SVTLKLRTFK GDITSANIKY DATA SEQUENCE WDTADNAFHW VPMVWDSNDP TGTFDYWKGT IPASPSIKYY RFQINDGTST DATA SEQUENCE AWYNGNGPSS TEPNADDFYI IPNFKTPDWL KNGVMYQIFP DRFYNGDSSN DATA SEQUENCE DVQTGSYTYN GTPTEKKAWG SSVYADPGYD NSLVFFGGDL AGIDQKLGYI DATA SEQUENCE KKTLGANILY LNPIFKAPTN HKYDTQDYMA VDPAFGDNST LQTLINDIHS DATA SEQUENCE TANGPKGYLI LDGVFNHTGD SHPWFDKYNN FSSQGAYESQ SSPWYNYYTF DATA SEQUENCE YTWPDSYASF LGFNSLPKLN YGNSGSAVRG VIYNNSNSVA KTYLNPPYSV DATA SEQUENCE DGWRLNAAQY VDANGNNGSD VTNHQIWSEF RNAVKGVNSN AAIIGQYWGN DATA SEQUENCE ANPWTAQGNQ WDAATNFDGF TQPVSEWITG KDYQNNSASI STTQFDSWLR DATA SEQUENCE GTRANYPTNV QQSMMNFLSN HDITRFATRS GGDLWKTYLA LIFQMTYVGT DATA SEQUENCE PTIYYGDEYG MQGGADPDNR RSFDWSQATP SNSAVALTQK LITIRNQYPA DATA SEQUENCE LRTGSFMTLI TDDTNKIYSY GRFDNVNRIA VVLNNDSVSH TVNVPVWQLS DATA SEQUENCE MPNGSTVTDK ITGHSYTVQN GMVTVAVDGH YGAVLAQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.569 177.584 -0.024 0.000 1.274 1 A CA 0.000 51.981 52.037 -0.093 0.000 0.836 1 A CB 0.000 19.023 19.000 0.038 0.000 0.831 2 A N -0.005 122.829 122.820 0.023 0.000 2.467 2 A HA 0.726 5.040 4.320 -0.009 0.000 0.301 2 A C -1.716 175.896 177.584 0.047 0.000 1.126 2 A CA -0.687 51.365 52.037 0.025 0.000 0.632 2 A CB 0.510 19.509 19.000 -0.002 0.000 1.331 2 A HN 0.845 nan 8.150 nan 0.000 0.482 3 N N 2.323 121.047 118.700 0.039 0.000 2.482 3 N HA 0.310 5.045 4.740 -0.009 0.000 0.242 3 N C -1.197 174.331 175.510 0.031 0.000 1.100 3 N CA 0.194 53.270 53.050 0.043 0.000 0.946 3 N CB 0.591 39.103 38.487 0.042 0.000 1.227 3 N HN 0.609 nan 8.380 nan 0.000 0.508 4 D N 0.342 120.762 120.400 0.034 0.000 2.819 4 D HA 0.075 4.710 4.640 -0.009 0.000 0.326 4 D C -0.335 175.983 176.300 0.031 0.000 1.408 4 D CA -0.557 53.459 54.000 0.026 0.000 0.811 4 D CB -0.380 40.433 40.800 0.021 0.000 1.148 4 D HN 0.026 nan 8.370 nan 0.000 0.457 5 N N 1.408 120.128 118.700 0.034 0.000 2.714 5 N HA -0.227 4.508 4.740 -0.009 0.000 0.252 5 N C -0.921 174.616 175.510 0.045 0.000 1.014 5 N CA 0.848 53.919 53.050 0.036 0.000 0.735 5 N CB -1.362 37.143 38.487 0.029 0.000 0.924 5 N HN 0.677 nan 8.380 nan 0.000 0.540 6 N N -0.505 118.230 118.700 0.058 0.000 2.578 6 N HA 0.151 4.886 4.740 -0.009 0.000 0.282 6 N C -1.314 174.264 175.510 0.113 0.000 1.119 6 N CA -0.345 52.751 53.050 0.076 0.000 0.948 6 N CB 1.493 40.015 38.487 0.059 0.000 1.546 6 N HN -0.158 nan 8.380 nan 0.000 0.525 7 V N 3.161 123.166 119.914 0.151 0.000 2.408 7 V HA 0.187 4.302 4.120 -0.009 0.000 0.267 7 V C 0.244 176.526 176.094 0.313 0.000 1.047 7 V CA -0.245 62.180 62.300 0.208 0.000 0.937 7 V CB 0.902 32.850 31.823 0.207 0.000 0.999 7 V HN 0.536 nan 8.190 nan 0.000 0.472 8 E N 4.961 125.358 120.200 0.328 0.000 1.996 8 E HA 0.054 4.399 4.350 -0.009 0.000 0.280 8 E C -0.188 176.699 176.600 0.479 0.000 1.092 8 E CA -0.333 56.306 56.400 0.399 0.000 0.862 8 E CB 0.579 30.584 29.700 0.509 0.000 1.066 8 E HN 0.708 nan 8.360 nan 0.000 0.396 9 W N 2.719 124.126 121.300 0.178 0.000 2.325 9 W HA -0.210 4.445 4.660 -0.009 0.000 0.299 9 W C 1.454 178.066 176.519 0.156 0.000 1.215 9 W CA 0.858 58.303 57.345 0.166 0.000 1.244 9 W CB -0.832 28.725 29.460 0.162 0.000 1.140 9 W HN 0.601 nan 8.180 nan 0.000 0.523 10 N N -1.120 117.837 118.700 0.429 0.000 2.364 10 N HA -0.099 4.636 4.740 -0.009 0.000 0.183 10 N C 1.875 177.383 175.510 -0.003 0.000 1.022 10 N CA 0.978 54.218 53.050 0.316 0.000 0.883 10 N CB -0.573 38.198 38.487 0.474 0.000 0.965 10 N HN 0.186 nan 8.380 nan 0.000 0.438 11 G N 0.252 108.823 108.800 -0.381 0.000 2.838 11 G HA2 0.141 4.095 3.960 -0.009 0.000 0.210 11 G HA3 0.141 4.095 3.960 -0.009 0.000 0.210 11 G C 0.468 175.212 174.900 -0.260 0.000 1.153 11 G CA -0.234 44.263 45.100 -1.006 0.000 0.778 11 G HN 0.047 nan 8.290 nan 0.000 0.539 12 L N 0.201 121.384 121.223 -0.067 0.000 2.417 12 L HA 0.647 4.982 4.340 -0.009 0.000 0.268 12 L C -0.588 176.264 176.870 -0.030 0.000 1.158 12 L CA -0.548 54.243 54.840 -0.081 0.000 0.819 12 L CB 1.038 43.071 42.059 -0.044 0.000 1.112 12 L HN 0.083 nan 8.230 nan 0.000 0.458 13 F N 2.353 122.012 119.950 -0.485 0.000 2.704 13 F HA 0.454 4.976 4.527 -0.009 0.000 0.312 13 F C -1.071 174.286 175.800 -0.739 0.000 1.108 13 F CA -0.562 57.143 58.000 -0.491 0.000 1.005 13 F CB 1.196 40.008 39.000 -0.315 0.000 1.277 13 F HN 0.538 nan 8.300 nan 0.000 0.445 14 H N 3.894 121.873 119.070 -1.819 0.000 3.121 14 H HA 0.446 4.997 4.556 -0.008 0.000 0.337 14 H C -2.317 172.363 175.328 -1.079 0.000 1.198 14 H CA -0.229 54.981 56.048 -1.397 0.000 1.274 14 H CB 2.181 31.356 29.762 -0.979 0.000 1.954 14 H HN 0.824 nan 8.280 nan 0.000 0.531 15 D N 2.215 121.734 120.400 -1.469 0.000 2.713 15 D HA 0.033 4.667 4.640 -0.009 0.000 0.306 15 D C -0.673 175.237 176.300 -0.650 0.000 1.299 15 D CA -0.517 53.074 54.000 -0.682 0.000 0.823 15 D CB 0.682 41.371 40.800 -0.185 0.000 1.353 15 D HN 0.547 nan 8.370 nan 0.000 0.447 16 Q N 0.070 119.755 119.800 -0.192 0.000 2.244 16 Q HA 0.407 4.742 4.340 -0.009 0.000 0.239 16 Q C 0.728 176.719 176.000 -0.014 0.000 0.890 16 Q CA -0.355 55.406 55.803 -0.071 0.000 0.964 16 Q CB 0.667 29.446 28.738 0.069 0.000 1.076 16 Q HN 0.482 nan 8.270 nan 0.000 0.447 17 G N 1.368 110.179 108.800 0.018 0.000 2.634 17 G HA2 0.094 4.049 3.960 -0.009 0.000 0.255 17 G HA3 0.094 4.049 3.960 -0.009 0.000 0.255 17 G C -1.898 172.978 174.900 -0.040 0.000 1.205 17 G CA -1.082 44.015 45.100 -0.004 0.000 0.884 17 G HN -0.007 nan 8.290 nan 0.000 0.549 18 P HA -0.136 nan 4.420 nan 0.000 0.216 18 P C 1.970 179.117 177.300 -0.255 0.000 1.154 18 P CA 0.942 63.952 63.100 -0.150 0.000 0.865 18 P CB 0.102 31.720 31.700 -0.136 0.000 0.789 19 L N -3.382 117.583 121.223 -0.429 0.000 2.362 19 L HA -0.069 4.265 4.340 -0.009 0.000 0.219 19 L C 1.352 177.602 176.870 -1.033 0.000 1.134 19 L CA 1.124 55.480 54.840 -0.808 0.000 0.807 19 L CB -0.444 40.948 42.059 -1.110 0.000 0.927 19 L HN -0.021 nan 8.230 nan 0.000 0.447 20 F N -2.541 117.318 119.950 -0.151 0.000 2.767 20 F HA 0.281 4.803 4.527 -0.009 0.000 0.323 20 F C 0.328 176.088 175.800 -0.066 0.000 1.091 20 F CA -0.569 57.358 58.000 -0.121 0.000 1.192 20 F CB 0.540 39.409 39.000 -0.219 0.000 1.056 20 F HN -0.162 nan 8.300 nan 0.000 0.571 21 D N 0.423 120.842 120.400 0.032 0.000 2.890 21 D HA 0.108 4.743 4.640 -0.009 0.000 0.233 21 D C 0.155 176.438 176.300 -0.027 0.000 1.306 21 D CA -0.126 53.895 54.000 0.036 0.000 0.929 21 D CB 0.998 41.835 40.800 0.062 0.000 1.512 21 D HN 0.041 nan 8.370 nan 0.000 0.568 22 N N 2.504 121.181 118.700 -0.038 0.000 2.412 22 N HA 0.071 4.806 4.740 -0.009 0.000 0.184 22 N C -0.230 175.254 175.510 -0.043 0.000 1.101 22 N CA -0.107 52.910 53.050 -0.056 0.000 0.881 22 N CB 0.497 38.946 38.487 -0.064 0.000 0.969 22 N HN 0.257 nan 8.380 nan 0.000 0.459 23 A N 1.169 123.972 122.820 -0.028 0.000 3.156 23 A HA 0.387 4.702 4.320 -0.009 0.000 0.311 23 A C -1.978 175.604 177.584 -0.003 0.000 1.129 23 A CA -0.879 51.144 52.037 -0.023 0.000 0.809 23 A CB 1.032 20.016 19.000 -0.027 0.000 1.257 23 A HN 0.033 nan 8.150 nan 0.000 0.491 24 P HA -0.083 nan 4.420 nan 0.000 0.221 24 P C 0.130 177.428 177.300 -0.002 0.000 1.150 24 P CA 1.226 64.332 63.100 0.009 0.000 0.800 24 P CB 0.385 32.076 31.700 -0.015 0.000 0.787 25 E N 0.799 120.983 120.200 -0.027 0.000 3.386 25 E HA 0.246 4.591 4.350 -0.009 0.000 0.236 25 E C -2.349 174.240 176.600 -0.019 0.000 1.227 25 E CA -1.689 54.687 56.400 -0.040 0.000 0.970 25 E CB 0.992 30.634 29.700 -0.098 0.000 1.343 25 E HN 0.353 nan 8.360 nan 0.000 0.397 26 P HA 0.055 nan 4.420 nan 0.000 0.276 26 P C 0.168 177.472 177.300 0.006 0.000 1.244 26 P CA -0.160 62.938 63.100 -0.003 0.000 0.801 26 P CB 1.365 33.060 31.700 -0.008 0.000 1.006 27 T N -2.188 112.366 114.554 -0.001 0.000 2.880 27 T HA 0.197 4.542 4.350 -0.009 0.000 0.279 27 T C 1.423 176.122 174.700 -0.002 0.000 0.990 27 T CA -0.387 61.716 62.100 0.006 0.000 0.938 27 T CB -0.297 68.572 68.868 0.002 0.000 1.206 27 T HN 0.240 nan 8.240 nan 0.000 0.573 28 S N 0.476 116.175 115.700 -0.001 0.000 2.419 28 S HA -0.056 4.409 4.470 -0.009 0.000 0.233 28 S C 1.989 176.578 174.600 -0.018 0.000 1.016 28 S CA 1.499 59.694 58.200 -0.010 0.000 0.974 28 S CB -0.732 62.464 63.200 -0.005 0.000 0.786 28 S HN 0.983 nan 8.310 nan 0.000 0.492 29 T N -0.969 113.576 114.554 -0.016 0.000 3.069 29 T HA 0.261 4.606 4.350 -0.009 0.000 0.252 29 T C 0.242 174.927 174.700 -0.024 0.000 1.053 29 T CA -0.265 61.824 62.100 -0.019 0.000 0.964 29 T CB 0.023 68.883 68.868 -0.014 0.000 1.005 29 T HN 0.204 nan 8.240 nan 0.000 0.532 30 Q N 1.668 121.452 119.800 -0.026 0.000 2.290 30 Q HA 0.549 4.884 4.340 -0.009 0.000 0.259 30 Q C -0.604 175.370 176.000 -0.044 0.000 0.941 30 Q CA -0.467 55.317 55.803 -0.031 0.000 0.912 30 Q CB 1.733 30.455 28.738 -0.026 0.000 1.244 30 Q HN 0.197 nan 8.270 nan 0.000 0.441 31 S N 1.076 116.747 115.700 -0.048 0.000 2.603 31 S HA 0.305 4.769 4.470 -0.009 0.000 0.268 31 S C -0.280 174.278 174.600 -0.069 0.000 1.317 31 S CA -0.591 57.570 58.200 -0.065 0.000 1.012 31 S CB 0.874 64.040 63.200 -0.058 0.000 0.926 31 S HN 0.361 nan 8.310 nan 0.000 0.539 32 V N 2.957 122.813 119.914 -0.096 0.000 2.350 32 V HA 0.309 4.424 4.120 -0.009 0.000 0.285 32 V C 0.002 176.031 176.094 -0.109 0.000 1.014 32 V CA -0.591 61.653 62.300 -0.095 0.000 0.831 32 V CB 1.316 33.074 31.823 -0.108 0.000 1.000 32 V HN 0.872 nan 8.190 nan 0.000 0.433 33 T N 7.273 121.781 114.554 -0.076 0.000 2.744 33 T HA 0.624 4.969 4.350 -0.009 0.000 0.291 33 T C -0.181 174.495 174.700 -0.039 0.000 0.957 33 T CA -0.110 61.950 62.100 -0.065 0.000 1.002 33 T CB 0.422 69.257 68.868 -0.056 0.000 0.919 33 T HN 0.338 nan 8.240 nan 0.000 0.468 34 L N 3.502 124.705 121.223 -0.034 0.000 2.331 34 L HA 0.613 4.948 4.340 -0.009 0.000 0.275 34 L C 0.282 177.225 176.870 0.122 0.000 1.022 34 L CA -0.967 53.913 54.840 0.067 0.000 0.812 34 L CB 1.448 43.484 42.059 -0.039 0.000 1.257 34 L HN 0.343 nan 8.230 nan 0.000 0.435 35 K N 2.680 123.221 120.400 0.235 0.000 2.397 35 K HA 0.578 4.893 4.320 -0.009 0.000 0.253 35 K C -1.505 175.292 176.600 0.328 0.000 0.932 35 K CA -0.802 55.623 56.287 0.230 0.000 0.795 35 K CB 2.766 35.335 32.500 0.116 0.000 1.159 35 K HN 0.248 nan 8.250 nan 0.000 0.424 36 L N 2.872 124.183 121.223 0.146 0.000 2.313 36 L HA 0.431 4.766 4.340 -0.009 0.000 0.283 36 L C -0.465 176.489 176.870 0.140 0.000 1.013 36 L CA -0.337 54.418 54.840 -0.142 0.000 0.816 36 L CB 1.280 42.998 42.059 -0.568 0.000 1.236 36 L HN 0.547 nan 8.230 nan 0.000 0.419 37 R N 2.740 123.308 120.500 0.113 0.000 2.457 37 R HA 0.719 5.054 4.340 -0.009 0.000 0.284 37 R C -0.817 175.496 176.300 0.022 0.000 1.024 37 R CA 0.253 56.438 56.100 0.141 0.000 1.025 37 R CB 0.976 31.368 30.300 0.154 0.000 1.063 37 R HN 0.905 nan 8.270 nan 0.000 0.493 38 T N -0.376 114.262 114.554 0.140 0.000 2.816 38 T HA 0.369 4.714 4.350 -0.009 0.000 0.299 38 T C -0.277 174.623 174.700 0.334 0.000 1.230 38 T CA -0.763 61.434 62.100 0.160 0.000 1.007 38 T CB 0.700 69.678 68.868 0.182 0.000 1.289 38 T HN 0.351 nan 8.240 nan 0.000 0.508 39 F N 1.543 121.694 119.950 0.335 0.000 2.496 39 F HA 0.324 4.846 4.527 -0.009 0.000 0.344 39 F C 1.432 177.341 175.800 0.181 0.000 1.155 39 F CA -0.678 57.456 58.000 0.222 0.000 1.302 39 F CB 0.774 39.851 39.000 0.128 0.000 1.159 39 F HN 0.579 nan 8.300 nan 0.000 0.595 40 K N 1.748 122.339 120.400 0.318 0.000 2.451 40 K HA 0.138 4.453 4.320 -0.009 0.000 0.280 40 K C 0.897 177.606 176.600 0.182 0.000 1.020 40 K CA 0.841 57.263 56.287 0.225 0.000 1.008 40 K CB 0.182 32.749 32.500 0.111 0.000 0.917 40 K HN 0.902 nan 8.250 nan 0.000 0.478 41 G N 3.738 112.656 108.800 0.196 0.000 2.187 41 G HA2 -0.312 3.643 3.960 -0.009 0.000 0.261 41 G HA3 -0.312 3.643 3.960 -0.009 0.000 0.261 41 G C 0.466 175.464 174.900 0.163 0.000 1.000 41 G CA 0.786 45.972 45.100 0.143 0.000 0.718 41 G HN 0.916 nan 8.290 nan 0.000 0.519 42 D N -0.288 120.250 120.400 0.230 0.000 2.234 42 D HA 0.138 4.773 4.640 -0.009 0.000 0.205 42 D C 1.598 177.986 176.300 0.147 0.000 0.962 42 D CA 1.204 55.326 54.000 0.203 0.000 0.855 42 D CB 0.063 41.040 40.800 0.295 0.000 0.951 42 D HN 0.873 nan 8.370 nan 0.000 0.500 43 I N -3.421 117.235 120.570 0.142 0.000 3.170 43 I HA 0.464 4.629 4.170 -0.009 0.000 0.312 43 I C 0.875 177.022 176.117 0.050 0.000 1.085 43 I CA -0.486 60.828 61.300 0.023 0.000 0.999 43 I CB 1.933 39.827 38.000 -0.177 0.000 1.233 43 I HN -0.206 nan 8.210 nan 0.000 0.467 44 T N -1.705 112.830 114.554 -0.032 0.000 2.999 44 T HA 0.312 4.656 4.350 -0.009 0.000 0.247 44 T C 0.580 175.259 174.700 -0.035 0.000 1.012 44 T CA 0.521 62.639 62.100 0.030 0.000 1.048 44 T CB -0.308 68.579 68.868 0.032 0.000 1.020 44 T HN 0.955 nan 8.240 nan 0.000 0.478 45 S N -0.097 115.468 115.700 -0.225 0.000 2.567 45 S HA 0.795 5.260 4.470 -0.009 0.000 0.270 45 S C -1.504 172.844 174.600 -0.421 0.000 1.152 45 S CA -0.602 57.431 58.200 -0.278 0.000 0.835 45 S CB 1.507 64.675 63.200 -0.052 0.000 1.115 45 S HN 1.041 nan 8.310 nan 0.000 0.459 46 A N 1.581 124.157 122.820 -0.407 0.000 2.572 46 A HA 0.893 5.207 4.320 -0.009 0.000 0.295 46 A C -1.430 176.004 177.584 -0.250 0.000 1.072 46 A CA -0.848 50.971 52.037 -0.364 0.000 0.691 46 A CB 1.406 20.112 19.000 -0.489 0.000 1.291 46 A HN 0.796 nan 8.150 nan 0.000 0.404 47 N N 0.657 119.158 118.700 -0.332 0.000 2.264 47 N HA 0.456 5.190 4.740 -0.009 0.000 0.288 47 N C -1.453 173.744 175.510 -0.523 0.000 1.094 47 N CA -0.363 52.333 53.050 -0.589 0.000 0.817 47 N CB 1.978 39.719 38.487 -1.244 0.000 1.604 47 N HN 0.583 nan 8.380 nan 0.000 0.473 48 I N 1.066 121.352 120.570 -0.472 0.000 2.342 48 I HA 0.233 4.398 4.170 -0.009 0.000 0.291 48 I C 0.464 176.400 176.117 -0.301 0.000 1.010 48 I CA -0.302 60.785 61.300 -0.356 0.000 1.308 48 I CB 1.007 38.843 38.000 -0.272 0.000 1.400 48 I HN 0.203 nan 8.210 nan 0.000 0.488 49 K N 7.689 128.038 120.400 -0.084 0.000 2.358 49 K HA 0.419 4.734 4.320 -0.009 0.000 0.260 49 K C -1.647 175.186 176.600 0.389 0.000 0.956 49 K CA -0.592 55.800 56.287 0.175 0.000 0.834 49 K CB 1.204 33.894 32.500 0.316 0.000 1.102 49 K HN 0.537 nan 8.250 nan 0.000 0.431 50 Y N 1.759 122.303 120.300 0.406 0.000 2.477 50 Y HA 0.475 5.020 4.550 -0.008 0.000 0.347 50 Y C -1.380 174.870 175.900 0.583 0.000 0.981 50 Y CA -1.377 57.006 58.100 0.473 0.000 1.033 50 Y CB 0.925 39.567 38.460 0.303 0.000 1.245 50 Y HN 0.561 nan 8.280 nan 0.000 0.455 51 W N 5.749 127.340 121.300 0.484 0.000 2.351 51 W HA 0.378 5.033 4.660 -0.009 0.000 0.311 51 W C -1.427 175.287 176.519 0.325 0.000 1.168 51 W CA -0.198 57.218 57.345 0.119 0.000 1.200 51 W CB 1.638 31.045 29.460 -0.089 0.000 1.221 51 W HN 0.810 nan 8.180 nan 0.000 0.519 52 D N 3.769 124.044 120.400 -0.208 0.000 2.381 52 D HA 0.086 4.721 4.640 -0.009 0.000 0.235 52 D C 1.358 177.486 176.300 -0.287 0.000 1.068 52 D CA -0.129 53.851 54.000 -0.033 0.000 0.832 52 D CB 1.641 42.500 40.800 0.099 0.000 1.101 52 D HN 0.427 nan 8.370 nan 0.000 0.515 53 T N 0.856 115.393 114.554 -0.029 0.000 3.051 53 T HA -0.024 4.321 4.350 -0.009 0.000 0.269 53 T C 1.700 176.392 174.700 -0.013 0.000 1.127 53 T CA 0.782 62.922 62.100 0.067 0.000 1.107 53 T CB 0.036 68.997 68.868 0.156 0.000 0.898 53 T HN 0.296 nan 8.240 nan 0.000 0.517 54 A N 2.677 125.468 122.820 -0.048 0.000 1.969 54 A HA 0.004 4.318 4.320 -0.009 0.000 0.218 54 A C 1.874 179.424 177.584 -0.057 0.000 1.169 54 A CA 1.469 53.481 52.037 -0.042 0.000 0.635 54 A CB -0.297 18.676 19.000 -0.045 0.000 0.810 54 A HN 0.733 nan 8.150 nan 0.000 0.445 55 D N -3.162 117.176 120.400 -0.104 0.000 2.556 55 D HA 0.049 4.683 4.640 -0.009 0.000 0.237 55 D C -0.166 175.991 176.300 -0.238 0.000 1.296 55 D CA -0.208 53.724 54.000 -0.114 0.000 0.807 55 D CB -1.770 38.998 40.800 -0.053 0.000 1.084 55 D HN 0.423 nan 8.370 nan 0.000 0.510 56 N N 0.235 118.708 118.700 -0.378 0.000 2.688 56 N HA -0.077 4.658 4.740 -0.009 0.000 0.258 56 N C -0.760 174.082 175.510 -1.113 0.000 1.016 56 N CA 0.509 53.201 53.050 -0.596 0.000 0.747 56 N CB -0.751 37.725 38.487 -0.019 0.000 0.895 56 N HN 0.564 nan 8.380 nan 0.000 0.543 57 A N 0.270 122.142 122.820 -1.580 0.000 2.610 57 A HA 0.706 5.020 4.320 -0.009 0.000 0.291 57 A C -0.993 175.919 177.584 -1.119 0.000 1.086 57 A CA -0.675 50.678 52.037 -1.140 0.000 0.677 57 A CB 0.923 19.579 19.000 -0.573 0.000 1.278 57 A HN 0.148 nan 8.150 nan 0.000 0.414 58 F N 1.411 121.051 119.950 -0.516 0.000 2.375 58 F HA 0.515 5.037 4.527 -0.009 0.000 0.333 58 F C 0.889 176.240 175.800 -0.747 0.000 1.104 58 F CA 0.523 58.324 58.000 -0.332 0.000 1.149 58 F CB 1.108 40.116 39.000 0.013 0.000 1.190 58 F HN 0.460 nan 8.300 nan 0.000 0.533 59 H N 1.340 120.322 119.070 -0.146 0.000 2.768 59 H HA 0.124 4.675 4.556 -0.009 0.000 0.371 59 H C -1.359 173.922 175.328 -0.079 0.000 1.151 59 H CA -0.930 54.925 56.048 -0.322 0.000 1.165 59 H CB 2.290 31.506 29.762 -0.910 0.000 1.722 59 H HN 0.650 nan 8.280 nan 0.000 0.543 60 W N 3.453 124.727 121.300 -0.044 0.000 2.475 60 W HA 0.427 5.082 4.660 -0.008 0.000 0.317 60 W C -1.534 175.031 176.519 0.078 0.000 1.046 60 W CA -0.656 56.704 57.345 0.024 0.000 1.215 60 W CB 1.581 31.053 29.460 0.020 0.000 1.335 60 W HN 0.210 nan 8.180 nan 0.000 0.471 61 V N 7.775 127.592 119.914 -0.162 0.000 2.385 61 V HA 0.180 4.295 4.120 -0.009 0.000 0.277 61 V C -2.134 173.812 176.094 -0.247 0.000 1.012 61 V CA -1.809 60.437 62.300 -0.091 0.000 0.832 61 V CB 1.513 33.348 31.823 0.020 0.000 1.028 61 V HN 0.378 nan 8.190 nan 0.000 0.436 62 P HA 0.239 nan 4.420 nan 0.000 0.268 62 P C -0.155 177.149 177.300 0.007 0.000 1.204 62 P CA 0.252 63.299 63.100 -0.088 0.000 0.768 62 P CB 0.519 32.266 31.700 0.078 0.000 0.842 63 M N 2.105 121.735 119.600 0.051 0.000 2.471 63 M HA 0.496 4.971 4.480 -0.009 0.000 0.309 63 M C 0.044 176.561 176.300 0.362 0.000 1.186 63 M CA -0.862 54.549 55.300 0.185 0.000 1.008 63 M CB 1.359 34.091 32.600 0.220 0.000 1.551 63 M HN 0.086 nan 8.290 nan 0.000 0.477 64 V N -1.580 118.540 119.914 0.344 0.000 2.823 64 V HA 0.552 4.667 4.120 -0.009 0.000 0.312 64 V C -1.368 174.759 176.094 0.055 0.000 1.072 64 V CA -0.968 61.498 62.300 0.277 0.000 0.937 64 V CB 1.576 33.480 31.823 0.135 0.000 1.013 64 V HN 1.003 nan 8.190 nan 0.000 0.430 65 W N 3.081 124.024 121.300 -0.595 0.000 2.223 65 W HA 0.364 5.019 4.660 -0.008 0.000 0.334 65 W C 0.847 177.126 176.519 -0.400 0.000 1.334 65 W CA 1.155 57.901 57.345 -0.998 0.000 1.246 65 W CB 1.203 30.041 29.460 -1.037 0.000 1.184 65 W HN 1.006 nan 8.180 nan 0.000 0.563 66 D N 1.679 121.351 120.400 -1.213 0.000 2.856 66 D HA 0.123 4.758 4.640 -0.009 0.000 0.283 66 D C 0.082 175.471 176.300 -1.519 0.000 1.051 66 D CA 1.230 54.656 54.000 -0.957 0.000 0.965 66 D CB 0.477 40.989 40.800 -0.480 0.000 1.201 66 D HN 0.277 nan 8.370 nan 0.000 0.474 67 S N -1.671 113.009 115.700 -1.700 0.000 2.656 67 S HA 0.417 4.882 4.470 -0.009 0.000 0.265 67 S C -1.513 172.960 174.600 -0.211 0.000 1.132 67 S CA -1.146 56.434 58.200 -1.032 0.000 0.819 67 S CB 0.752 63.735 63.200 -0.363 0.000 1.119 67 S HN 0.159 nan 8.310 nan 0.000 0.476 68 N N 0.999 119.820 118.700 0.201 0.000 2.459 68 N HA 0.512 5.247 4.740 -0.009 0.000 0.288 68 N C -1.253 174.409 175.510 0.253 0.000 1.186 68 N CA -0.810 52.401 53.050 0.268 0.000 0.917 68 N CB 0.717 39.382 38.487 0.297 0.000 1.219 68 N HN 0.809 nan 8.380 nan 0.000 0.525 69 D N -0.007 120.535 120.400 0.237 0.000 2.383 69 D HA 0.152 4.787 4.640 -0.009 0.000 0.248 69 D C -1.919 174.518 176.300 0.229 0.000 1.170 69 D CA -1.437 52.761 54.000 0.330 0.000 0.977 69 D CB 0.578 41.601 40.800 0.372 0.000 1.120 69 D HN 0.196 nan 8.370 nan 0.000 0.481 70 P HA -0.128 nan 4.420 nan 0.000 0.218 70 P C 1.325 178.699 177.300 0.124 0.000 1.146 70 P CA 2.088 65.270 63.100 0.136 0.000 0.813 70 P CB -0.062 31.706 31.700 0.114 0.000 0.778 71 T N -5.504 109.141 114.554 0.152 0.000 3.100 71 T HA 0.232 4.576 4.350 -0.009 0.000 0.253 71 T C 1.538 176.284 174.700 0.077 0.000 1.118 71 T CA 0.495 62.665 62.100 0.117 0.000 1.058 71 T CB -1.027 67.933 68.868 0.154 0.000 0.953 71 T HN 0.222 nan 8.240 nan 0.000 0.515 72 G N 0.539 109.398 108.800 0.098 0.000 2.179 72 G HA2 -0.296 3.659 3.960 -0.009 0.000 0.257 72 G HA3 -0.296 3.659 3.960 -0.009 0.000 0.257 72 G C 0.704 175.604 174.900 0.001 0.000 1.010 72 G CA 0.692 45.831 45.100 0.065 0.000 0.736 72 G HN 0.566 nan 8.290 nan 0.000 0.513 73 T N -0.879 113.648 114.554 -0.045 0.000 3.040 73 T HA 0.421 4.766 4.350 -0.009 0.000 0.252 73 T C 0.627 175.080 174.700 -0.413 0.000 1.064 73 T CA 0.861 62.781 62.100 -0.300 0.000 1.110 73 T CB 0.130 68.702 68.868 -0.494 0.000 0.921 73 T HN 0.340 nan 8.240 nan 0.000 0.480 74 F N 0.726 120.758 119.950 0.137 0.000 2.618 74 F HA 0.611 5.133 4.527 -0.009 0.000 0.332 74 F C -0.222 175.569 175.800 -0.014 0.000 1.061 74 F CA -1.521 56.514 58.000 0.058 0.000 0.974 74 F CB 1.162 40.087 39.000 -0.125 0.000 1.310 74 F HN -0.246 nan 8.300 nan 0.000 0.491 75 D N -0.260 120.279 120.400 0.233 0.000 2.340 75 D HA 0.337 4.972 4.640 -0.009 0.000 0.240 75 D C -1.535 174.758 176.300 -0.011 0.000 1.001 75 D CA -0.305 53.839 54.000 0.241 0.000 0.888 75 D CB 1.805 42.926 40.800 0.536 0.000 1.310 75 D HN 0.379 nan 8.370 nan 0.000 0.474 76 Y N 0.432 120.754 120.300 0.037 0.000 2.326 76 Y HA 0.326 4.871 4.550 -0.008 0.000 0.331 76 Y C -0.507 175.289 175.900 -0.174 0.000 0.962 76 Y CA -1.052 57.050 58.100 0.003 0.000 1.167 76 Y CB 1.204 39.606 38.460 -0.096 0.000 1.148 76 Y HN 0.226 nan 8.280 nan 0.000 0.463 77 W N 4.142 125.488 121.300 0.077 0.000 2.512 77 W HA 0.613 5.268 4.660 -0.009 0.000 0.335 77 W C -0.509 176.015 176.519 0.010 0.000 1.088 77 W CA -0.831 56.530 57.345 0.027 0.000 1.236 77 W CB 1.391 30.881 29.460 0.050 0.000 1.307 77 W HN 0.323 nan 8.180 nan 0.000 0.567 78 K N 1.382 121.898 120.400 0.194 0.000 2.477 78 K HA 0.979 5.294 4.320 -0.009 0.000 0.255 78 K C -0.516 176.142 176.600 0.096 0.000 0.952 78 K CA -1.130 55.220 56.287 0.105 0.000 0.826 78 K CB 2.280 34.783 32.500 0.004 0.000 1.331 78 K HN 0.595 nan 8.250 nan 0.000 0.437 79 G N 0.467 109.297 108.800 0.051 0.000 2.720 79 G HA2 0.528 4.483 3.960 -0.009 0.000 0.295 79 G HA3 0.528 4.483 3.960 -0.009 0.000 0.295 79 G C -1.583 173.295 174.900 -0.037 0.000 1.437 79 G CA -0.659 44.450 45.100 0.015 0.000 0.886 79 G HN 0.452 nan 8.290 nan 0.000 0.509 80 T N 1.213 115.742 114.554 -0.042 0.000 2.824 80 T HA 0.532 4.877 4.350 -0.009 0.000 0.282 80 T C -0.057 174.587 174.700 -0.093 0.000 0.993 80 T CA -0.228 61.827 62.100 -0.075 0.000 0.967 80 T CB 1.295 70.132 68.868 -0.051 0.000 0.960 80 T HN 0.378 nan 8.240 nan 0.000 0.441 81 I N 5.815 126.278 120.570 -0.178 0.000 2.331 81 I HA 0.293 4.457 4.170 -0.009 0.000 0.292 81 I C -1.784 174.207 176.117 -0.209 0.000 0.998 81 I CA -2.515 58.620 61.300 -0.275 0.000 1.267 81 I CB 1.633 39.326 38.000 -0.511 0.000 1.386 81 I HN 0.341 nan 8.210 nan 0.000 0.476 82 P HA 0.036 nan 4.420 nan 0.000 0.268 82 P C -0.611 176.617 177.300 -0.120 0.000 1.208 82 P CA -0.317 62.723 63.100 -0.100 0.000 0.777 82 P CB 0.777 32.447 31.700 -0.050 0.000 0.875 83 A N 2.135 124.906 122.820 -0.081 0.000 2.388 83 A HA 0.528 4.843 4.320 -0.009 0.000 0.257 83 A C 0.522 178.068 177.584 -0.063 0.000 1.095 83 A CA 0.405 52.400 52.037 -0.070 0.000 0.791 83 A CB -0.410 18.561 19.000 -0.048 0.000 1.029 83 A HN 0.781 nan 8.150 nan 0.000 0.489 84 S N 1.427 117.091 115.700 -0.060 0.000 2.633 84 S HA 0.547 5.012 4.470 -0.009 0.000 0.271 84 S C -2.958 171.619 174.600 -0.040 0.000 1.112 84 S CA -0.585 57.585 58.200 -0.049 0.000 0.828 84 S CB 0.826 63.990 63.200 -0.060 0.000 1.086 84 S HN 0.195 nan 8.310 nan 0.000 0.461 85 P HA 0.122 nan 4.420 nan 0.000 0.236 85 P C 0.400 177.687 177.300 -0.022 0.000 1.177 85 P CA 0.607 63.697 63.100 -0.018 0.000 0.773 85 P CB -0.125 31.568 31.700 -0.012 0.000 0.878 86 S N -0.203 115.476 115.700 -0.034 0.000 2.580 86 S HA 0.257 4.722 4.470 -0.009 0.000 0.274 86 S C 0.237 174.803 174.600 -0.058 0.000 1.329 86 S CA -0.690 57.487 58.200 -0.038 0.000 1.036 86 S CB 0.077 63.254 63.200 -0.038 0.000 0.919 86 S HN -0.077 nan 8.310 nan 0.000 0.515 87 I N 2.443 122.971 120.570 -0.069 0.000 2.588 87 I HA 0.212 4.377 4.170 -0.009 0.000 0.283 87 I C 0.504 176.483 176.117 -0.230 0.000 1.119 87 I CA 0.168 61.380 61.300 -0.147 0.000 1.419 87 I CB 0.490 38.393 38.000 -0.161 0.000 1.394 87 I HN 0.663 nan 8.210 nan 0.000 0.562 88 K N 5.805 126.024 120.400 -0.301 0.000 2.477 88 K HA 0.575 4.890 4.320 -0.009 0.000 0.255 88 K C -1.747 174.677 176.600 -0.293 0.000 0.952 88 K CA -0.789 55.385 56.287 -0.188 0.000 0.826 88 K CB 2.398 34.853 32.500 -0.076 0.000 1.331 88 K HN 0.292 nan 8.250 nan 0.000 0.437 89 Y N 1.040 121.507 120.300 0.278 0.000 2.391 89 Y HA 0.375 4.920 4.550 -0.009 0.000 0.341 89 Y C -0.653 175.410 175.900 0.272 0.000 0.965 89 Y CA -1.115 57.052 58.100 0.111 0.000 1.067 89 Y CB 1.375 39.816 38.460 -0.032 0.000 1.199 89 Y HN 0.540 nan 8.280 nan 0.000 0.450 90 Y N 0.821 121.278 120.300 0.262 0.000 2.602 90 Y HA 0.931 5.475 4.550 -0.009 0.000 0.342 90 Y C -0.833 175.136 175.900 0.115 0.000 1.029 90 Y CA -1.857 56.356 58.100 0.188 0.000 1.080 90 Y CB 1.767 40.242 38.460 0.026 0.000 1.284 90 Y HN 0.679 nan 8.280 nan 0.000 0.485 91 R N 0.663 121.294 120.500 0.218 0.000 2.781 91 R HA 0.706 5.041 4.340 -0.009 0.000 0.269 91 R C -2.289 173.998 176.300 -0.022 0.000 1.025 91 R CA -0.850 55.355 56.100 0.176 0.000 0.914 91 R CB 1.625 32.074 30.300 0.250 0.000 1.236 91 R HN 0.595 nan 8.270 nan 0.000 0.465 92 F N 0.304 120.440 119.950 0.309 0.000 2.495 92 F HA 0.400 4.922 4.527 -0.009 0.000 0.327 92 F C 0.147 175.882 175.800 -0.108 0.000 1.103 92 F CA -0.761 57.275 58.000 0.060 0.000 0.949 92 F CB 2.276 41.252 39.000 -0.040 0.000 1.142 92 F HN 0.416 nan 8.300 nan 0.000 0.457 93 Q N 3.736 123.371 119.800 -0.276 0.000 2.307 93 Q HA 0.653 4.987 4.340 -0.009 0.000 0.262 93 Q C -1.521 174.192 176.000 -0.477 0.000 0.961 93 Q CA -0.536 54.749 55.803 -0.862 0.000 0.882 93 Q CB 1.339 29.504 28.738 -0.954 0.000 1.264 93 Q HN 0.742 nan 8.270 nan 0.000 0.446 94 I N 4.014 124.313 120.570 -0.451 0.000 2.418 94 I HA 0.390 4.555 4.170 -0.009 0.000 0.287 94 I C -0.754 175.221 176.117 -0.237 0.000 1.008 94 I CA -0.741 60.376 61.300 -0.305 0.000 1.104 94 I CB 1.676 39.539 38.000 -0.227 0.000 1.264 94 I HN 0.500 nan 8.210 nan 0.000 0.438 95 N N 4.541 123.116 118.700 -0.208 0.000 2.269 95 N HA 0.382 5.117 4.740 -0.009 0.000 0.304 95 N C -1.414 174.045 175.510 -0.085 0.000 1.072 95 N CA -0.621 52.358 53.050 -0.117 0.000 0.802 95 N CB 2.713 41.149 38.487 -0.085 0.000 1.348 95 N HN 0.509 nan 8.380 nan 0.000 0.484 96 D N 0.623 121.010 120.400 -0.023 0.000 2.346 96 D HA 0.423 5.058 4.640 -0.009 0.000 0.255 96 D C 0.879 177.191 176.300 0.021 0.000 1.276 96 D CA 0.129 54.133 54.000 0.006 0.000 0.941 96 D CB 0.381 41.203 40.800 0.037 0.000 1.199 96 D HN 0.776 nan 8.370 nan 0.000 0.537 97 G N 2.900 111.711 108.800 0.019 0.000 2.591 97 G HA2 -0.383 3.572 3.960 -0.009 0.000 0.298 97 G HA3 -0.383 3.572 3.960 -0.009 0.000 0.298 97 G C 1.182 176.097 174.900 0.025 0.000 1.195 97 G CA 0.940 46.054 45.100 0.025 0.000 0.989 97 G HN 0.939 nan 8.290 nan 0.000 0.551 98 T N -1.612 112.960 114.554 0.030 0.000 3.160 98 T HA 0.447 4.792 4.350 -0.009 0.000 0.257 98 T C 1.120 175.846 174.700 0.044 0.000 1.147 98 T CA 1.498 63.618 62.100 0.034 0.000 1.064 98 T CB 0.017 68.904 68.868 0.032 0.000 0.949 98 T HN 1.458 nan 8.240 nan 0.000 0.526 99 S N 0.819 116.546 115.700 0.045 0.000 2.462 99 S HA 0.562 5.027 4.470 -0.009 0.000 0.294 99 S C -0.619 174.013 174.600 0.053 0.000 1.144 99 S CA -0.493 57.746 58.200 0.064 0.000 1.088 99 S CB 0.941 64.186 63.200 0.076 0.000 1.009 99 S HN 0.397 nan 8.310 nan 0.000 0.484 100 T N 3.688 118.286 114.554 0.073 0.000 2.886 100 T HA 0.783 5.128 4.350 -0.009 0.000 0.292 100 T C -0.765 173.976 174.700 0.068 0.000 1.012 100 T CA -0.447 61.661 62.100 0.013 0.000 0.982 100 T CB 1.552 70.421 68.868 0.002 0.000 1.018 100 T HN 0.884 nan 8.240 nan 0.000 0.451 101 A N 2.228 125.020 122.820 -0.046 0.000 2.469 101 A HA 0.882 5.197 4.320 -0.009 0.000 0.299 101 A C -2.039 175.411 177.584 -0.223 0.000 1.098 101 A CA -0.904 51.152 52.037 0.031 0.000 0.737 101 A CB 1.294 20.360 19.000 0.110 0.000 1.312 101 A HN 0.798 nan 8.150 nan 0.000 0.414 102 W N -0.847 120.444 121.300 -0.014 0.000 2.719 102 W HA 0.683 5.338 4.660 -0.009 0.000 0.352 102 W C -0.998 175.527 176.519 0.009 0.000 1.085 102 W CA -0.027 57.330 57.345 0.021 0.000 1.187 102 W CB 1.640 31.102 29.460 0.002 0.000 1.417 102 W HN 0.672 nan 8.180 nan 0.000 0.557 103 Y N 3.471 123.914 120.300 0.238 0.000 2.442 103 Y HA 0.340 4.885 4.550 -0.009 0.000 0.330 103 Y C -0.474 175.629 175.900 0.339 0.000 1.100 103 Y CA -1.016 57.180 58.100 0.160 0.000 1.034 103 Y CB 0.929 39.432 38.460 0.071 0.000 1.285 103 Y HN 0.588 nan 8.280 nan 0.000 0.440 104 N N 1.329 120.103 118.700 0.122 0.000 3.587 104 N HA 0.319 5.054 4.740 -0.009 0.000 0.339 104 N C 0.887 176.019 175.510 -0.630 0.000 1.636 104 N CA -0.146 52.921 53.050 0.028 0.000 0.788 104 N CB -0.043 38.357 38.487 -0.146 0.000 2.205 104 N HN 0.653 nan 8.380 nan 0.000 0.600 105 G N -0.395 107.649 108.800 -1.259 0.000 2.475 105 G HA2 -0.310 3.645 3.960 -0.009 0.000 0.220 105 G HA3 -0.310 3.645 3.960 -0.009 0.000 0.220 105 G C 0.959 175.564 174.900 -0.492 0.000 1.125 105 G CA 1.310 45.754 45.100 -1.093 0.000 0.755 105 G HN 0.713 nan 8.290 nan 0.000 0.565 106 N N 0.110 118.561 118.700 -0.415 0.000 2.383 106 N HA 0.329 5.064 4.740 -0.009 0.000 0.192 106 N C 1.076 176.381 175.510 -0.342 0.000 1.141 106 N CA 1.125 54.001 53.050 -0.291 0.000 0.851 106 N CB 0.110 38.457 38.487 -0.234 0.000 0.976 106 N HN 0.548 nan 8.380 nan 0.000 0.465 107 G N -0.006 108.452 108.800 -0.570 0.000 2.545 107 G HA2 -0.210 3.745 3.960 -0.009 0.000 0.216 107 G HA3 -0.210 3.745 3.960 -0.009 0.000 0.216 107 G C -2.784 171.500 174.900 -1.026 0.000 1.314 107 G CA -0.437 44.124 45.100 -0.897 0.000 0.906 107 G HN 0.201 nan 8.290 nan 0.000 0.563 108 P HA 0.508 nan 4.420 nan 0.000 0.274 108 P C -0.411 176.351 177.300 -0.896 0.000 1.231 108 P CA 0.420 63.013 63.100 -0.844 0.000 0.790 108 P CB 1.801 32.870 31.700 -1.053 0.000 0.951 109 S N -0.202 115.036 115.700 -0.770 0.000 2.537 109 S HA 0.326 4.791 4.470 -0.009 0.000 0.271 109 S C 0.994 175.658 174.600 0.107 0.000 1.148 109 S CA -0.183 57.849 58.200 -0.279 0.000 0.868 109 S CB 0.767 63.922 63.200 -0.076 0.000 1.115 109 S HN 0.450 nan 8.310 nan 0.000 0.461 110 S N 1.671 117.635 115.700 0.440 0.000 2.425 110 S HA 0.115 4.580 4.470 -0.009 0.000 0.225 110 S C 0.940 175.761 174.600 0.368 0.000 1.024 110 S CA 0.931 59.426 58.200 0.492 0.000 0.951 110 S CB -0.729 62.733 63.200 0.438 0.000 0.796 110 S HN 1.069 nan 8.310 nan 0.000 0.498 111 T N 0.184 114.878 114.554 0.232 0.000 2.929 111 T HA 0.478 4.823 4.350 -0.009 0.000 0.284 111 T C -0.545 174.082 174.700 -0.121 0.000 1.014 111 T CA -0.860 61.295 62.100 0.093 0.000 1.051 111 T CB 1.562 70.440 68.868 0.017 0.000 1.028 111 T HN 0.353 nan 8.240 nan 0.000 0.485 112 E N 3.274 123.148 120.200 -0.544 0.000 2.351 112 E HA 0.192 4.537 4.350 -0.009 0.000 0.266 112 E C -1.830 174.416 176.600 -0.589 0.000 1.031 112 E CA -1.618 54.062 56.400 -1.200 0.000 0.911 112 E CB 0.387 29.064 29.700 -1.704 0.000 0.986 112 E HN 0.487 nan 8.360 nan 0.000 0.446 113 P HA 0.056 nan 4.420 nan 0.000 0.276 113 P C -0.804 176.330 177.300 -0.276 0.000 1.252 113 P CA -0.117 62.819 63.100 -0.272 0.000 0.802 113 P CB 0.595 32.175 31.700 -0.199 0.000 1.035 114 N N -0.689 117.877 118.700 -0.224 0.000 2.159 114 N HA 0.373 5.108 4.740 -0.009 0.000 0.217 114 N C -0.065 175.308 175.510 -0.229 0.000 1.223 114 N CA -0.635 52.291 53.050 -0.208 0.000 0.896 114 N CB 0.770 39.142 38.487 -0.191 0.000 1.064 114 N HN 0.398 nan 8.380 nan 0.000 0.518 115 A N 0.421 123.102 122.820 -0.230 0.000 2.569 115 A HA 0.539 4.854 4.320 -0.009 0.000 0.290 115 A C -1.037 176.387 177.584 -0.266 0.000 1.136 115 A CA -0.305 51.578 52.037 -0.257 0.000 0.710 115 A CB 1.030 19.897 19.000 -0.221 0.000 1.303 115 A HN 0.117 nan 8.150 nan 0.000 0.413 116 D N 0.423 120.649 120.400 -0.290 0.000 2.907 116 D HA -0.107 4.528 4.640 -0.009 0.000 0.226 116 D C -0.411 175.635 176.300 -0.424 0.000 1.141 116 D CA 1.545 55.359 54.000 -0.310 0.000 0.779 116 D CB -0.995 39.644 40.800 -0.268 0.000 1.095 116 D HN 0.580 nan 8.370 nan 0.000 0.430 117 D N -0.901 119.235 120.400 -0.441 0.000 2.371 117 D HA 0.240 4.875 4.640 -0.009 0.000 0.242 117 D C 1.013 176.947 176.300 -0.610 0.000 1.218 117 D CA 0.015 53.755 54.000 -0.434 0.000 0.945 117 D CB 0.275 40.927 40.800 -0.246 0.000 1.137 117 D HN -0.018 nan 8.370 nan 0.000 0.464 118 F N 0.061 119.694 119.950 -0.529 0.000 2.410 118 F HA 0.195 4.716 4.527 -0.009 0.000 0.334 118 F C 0.424 175.926 175.800 -0.496 0.000 1.134 118 F CA -0.196 57.471 58.000 -0.555 0.000 1.227 118 F CB 0.441 38.862 39.000 -0.964 0.000 1.194 118 F HN 0.152 nan 8.300 nan 0.000 0.571 119 Y N 1.873 122.249 120.300 0.127 0.000 2.387 119 Y HA 0.591 5.136 4.550 -0.008 0.000 0.336 119 Y C -0.077 175.922 175.900 0.165 0.000 1.067 119 Y CA -0.757 57.436 58.100 0.155 0.000 1.114 119 Y CB 1.230 39.799 38.460 0.181 0.000 1.208 119 Y HN 0.237 nan 8.280 nan 0.000 0.458 120 I N 5.054 125.770 120.570 0.242 0.000 2.476 120 I HA 0.337 4.501 4.170 -0.009 0.000 0.281 120 I C -1.108 175.063 176.117 0.089 0.000 1.040 120 I CA -0.309 61.091 61.300 0.167 0.000 1.094 120 I CB 1.152 39.214 38.000 0.102 0.000 1.219 120 I HN 0.504 nan 8.210 nan 0.000 0.450 121 I N 8.055 128.711 120.570 0.143 0.000 2.502 121 I HA 0.310 4.475 4.170 -0.009 0.000 0.276 121 I C -2.388 173.809 176.117 0.132 0.000 1.057 121 I CA -1.814 59.563 61.300 0.129 0.000 1.163 121 I CB 1.132 39.267 38.000 0.224 0.000 1.288 121 I HN 0.183 nan 8.210 nan 0.000 0.479 122 P HA 0.068 nan 4.420 nan 0.000 0.264 122 P C -0.023 177.326 177.300 0.081 0.000 1.183 122 P CA 0.526 63.657 63.100 0.051 0.000 0.763 122 P CB 0.232 31.939 31.700 0.011 0.000 0.807 123 N N -0.782 117.966 118.700 0.078 0.000 2.936 123 N HA -0.246 4.489 4.740 -0.009 0.000 0.236 123 N C -0.377 175.234 175.510 0.168 0.000 0.930 123 N CA 0.276 53.380 53.050 0.090 0.000 0.966 123 N CB -1.881 36.647 38.487 0.068 0.000 1.090 123 N HN 0.419 nan 8.380 nan 0.000 0.592 124 F N 1.827 121.776 119.950 -0.003 0.000 2.421 124 F HA 0.424 4.947 4.527 -0.008 0.000 0.358 124 F C 0.271 176.064 175.800 -0.012 0.000 1.115 124 F CA -0.664 57.334 58.000 -0.003 0.000 1.160 124 F CB 0.573 39.570 39.000 -0.005 0.000 1.123 124 F HN -0.157 nan 8.300 nan 0.000 0.508 125 K N 4.567 124.894 120.400 -0.122 0.000 2.427 125 K HA 0.403 4.718 4.320 -0.009 0.000 0.252 125 K C -1.040 175.342 176.600 -0.364 0.000 0.931 125 K CA -0.571 55.537 56.287 -0.298 0.000 0.793 125 K CB 1.828 34.266 32.500 -0.105 0.000 1.211 125 K HN 0.608 nan 8.250 nan 0.000 0.426 126 T N 1.096 115.385 114.554 -0.442 0.000 2.888 126 T HA 0.596 4.941 4.350 -0.009 0.000 0.284 126 T C -2.586 171.910 174.700 -0.340 0.000 1.017 126 T CA -2.524 59.359 62.100 -0.361 0.000 1.022 126 T CB 1.440 70.068 68.868 -0.401 0.000 1.013 126 T HN 0.339 nan 8.240 nan 0.000 0.465 127 P HA 0.128 nan 4.420 nan 0.000 0.260 127 P C 0.241 177.177 177.300 -0.607 0.000 1.185 127 P CA 0.033 62.794 63.100 -0.565 0.000 0.763 127 P CB 0.344 31.429 31.700 -1.025 0.000 0.776 128 D N 2.769 122.961 120.400 -0.347 0.000 2.219 128 D HA -0.119 4.516 4.640 -0.009 0.000 0.205 128 D C 1.700 177.872 176.300 -0.213 0.000 0.970 128 D CA 0.966 54.825 54.000 -0.236 0.000 0.851 128 D CB -0.212 40.528 40.800 -0.101 0.000 0.943 128 D HN 0.608 nan 8.370 nan 0.000 0.488 129 W N 0.639 121.803 121.300 -0.228 0.000 2.425 129 W HA -0.044 4.612 4.660 -0.007 0.000 0.277 129 W C 1.523 177.837 176.519 -0.341 0.000 1.231 129 W CA -0.085 57.058 57.345 -0.336 0.000 1.248 129 W CB -0.964 28.056 29.460 -0.734 0.000 1.117 129 W HN -0.065 nan 8.180 nan 0.000 0.568 130 L N 2.186 122.873 121.223 -0.893 0.000 2.131 130 L HA -0.016 4.319 4.340 -0.009 0.000 0.206 130 L C 2.585 179.227 176.870 -0.379 0.000 1.087 130 L CA 1.812 56.205 54.840 -0.745 0.000 0.767 130 L CB -0.714 40.705 42.059 -1.066 0.000 0.917 130 L HN -0.221 nan 8.230 nan 0.000 0.441 131 K N -0.456 119.731 120.400 -0.354 0.000 2.097 131 K HA -0.087 4.227 4.320 -0.009 0.000 0.206 131 K C 1.384 177.892 176.600 -0.154 0.000 1.049 131 K CA 1.472 57.615 56.287 -0.239 0.000 0.933 131 K CB -0.211 32.159 32.500 -0.216 0.000 0.717 131 K HN 0.417 nan 8.250 nan 0.000 0.442 132 N N 0.335 118.969 118.700 -0.111 0.000 2.280 132 N HA 0.015 4.750 4.740 -0.009 0.000 0.192 132 N C 0.632 176.143 175.510 0.002 0.000 1.109 132 N CA 0.175 53.200 53.050 -0.041 0.000 0.855 132 N CB 0.809 39.289 38.487 -0.011 0.000 0.974 132 N HN 0.116 nan 8.380 nan 0.000 0.482 133 G N 0.194 108.999 108.800 0.008 0.000 2.535 133 G HA2 0.503 4.458 3.960 -0.009 0.000 0.303 133 G HA3 0.503 4.458 3.960 -0.009 0.000 0.303 133 G C -0.652 174.275 174.900 0.045 0.000 1.237 133 G CA -0.216 44.927 45.100 0.072 0.000 0.986 133 G HN -0.069 nan 8.290 nan 0.000 0.494 134 V N 0.693 120.655 119.914 0.081 0.000 2.531 134 V HA 0.454 4.569 4.120 -0.009 0.000 0.301 134 V C -0.082 176.080 176.094 0.113 0.000 1.034 134 V CA -0.501 61.841 62.300 0.070 0.000 0.865 134 V CB 1.571 33.433 31.823 0.065 0.000 0.995 134 V HN 0.772 nan 8.190 nan 0.000 0.424 135 M N 4.362 124.028 119.600 0.111 0.000 2.478 135 M HA 0.577 5.052 4.480 -0.009 0.000 0.327 135 M C -1.862 174.564 176.300 0.210 0.000 1.187 135 M CA -0.708 54.686 55.300 0.157 0.000 1.022 135 M CB 1.791 34.465 32.600 0.123 0.000 1.629 135 M HN 0.748 nan 8.290 nan 0.000 0.461 136 Y N 2.968 123.305 120.300 0.062 0.000 2.326 136 Y HA 0.306 4.852 4.550 -0.007 0.000 0.329 136 Y C -0.887 175.016 175.900 0.005 0.000 0.973 136 Y CA -0.540 57.577 58.100 0.028 0.000 1.162 136 Y CB 1.286 39.727 38.460 -0.033 0.000 1.147 136 Y HN 0.617 nan 8.280 nan 0.000 0.456 137 Q N 6.476 126.127 119.800 -0.248 0.000 2.274 137 Q HA 0.575 4.909 4.340 -0.009 0.000 0.256 137 Q C -1.521 174.250 176.000 -0.381 0.000 0.927 137 Q CA -0.438 55.234 55.803 -0.219 0.000 0.939 137 Q CB 0.852 29.588 28.738 -0.004 0.000 1.201 137 Q HN 0.808 nan 8.270 nan 0.000 0.426 138 I N 4.067 124.353 120.570 -0.475 0.000 2.436 138 I HA 0.264 4.428 4.170 -0.009 0.000 0.289 138 I C -0.983 174.800 176.117 -0.556 0.000 1.010 138 I CA -0.828 60.105 61.300 -0.613 0.000 1.098 138 I CB 1.447 39.039 38.000 -0.680 0.000 1.266 138 I HN 0.638 nan 8.210 nan 0.000 0.434 139 F N 9.420 128.896 119.950 -0.790 0.000 2.351 139 F HA 0.415 4.937 4.527 -0.009 0.000 0.362 139 F C -1.730 173.764 175.800 -0.510 0.000 1.131 139 F CA -2.169 55.522 58.000 -0.516 0.000 1.187 139 F CB 0.670 39.493 39.000 -0.296 0.000 1.434 139 F HN 0.323 nan 8.300 nan 0.000 0.553 140 P HA -0.341 nan 4.420 nan 0.000 0.227 140 P C 1.089 178.192 177.300 -0.328 0.000 1.141 140 P CA 2.179 64.891 63.100 -0.647 0.000 0.964 140 P CB 0.157 31.077 31.700 -1.300 0.000 0.784 141 D N -2.389 117.944 120.400 -0.111 0.000 2.392 141 D HA -0.107 4.527 4.640 -0.009 0.000 0.228 141 D C 1.112 177.595 176.300 0.306 0.000 1.003 141 D CA 0.620 54.786 54.000 0.277 0.000 0.917 141 D CB -0.022 41.052 40.800 0.458 0.000 0.890 141 D HN -0.014 nan 8.370 nan 0.000 0.532 142 R N -0.989 119.637 120.500 0.210 0.000 2.565 142 R HA 0.146 4.481 4.340 -0.009 0.000 0.347 142 R C 0.686 177.175 176.300 0.314 0.000 1.010 142 R CA -0.233 55.905 56.100 0.064 0.000 1.126 142 R CB -0.624 29.639 30.300 -0.063 0.000 1.331 142 R HN 0.279 nan 8.270 nan 0.000 0.552 143 F N -0.150 119.947 119.950 0.245 0.000 2.202 143 F HA 0.186 4.707 4.527 -0.009 0.000 0.279 143 F C -0.125 176.225 175.800 0.916 0.000 1.077 143 F CA 0.270 58.486 58.000 0.361 0.000 1.193 143 F CB 0.634 39.672 39.000 0.063 0.000 1.090 143 F HN -0.081 nan 8.300 nan 0.000 0.516 144 Y N 1.027 121.591 120.300 0.441 0.000 2.390 144 Y HA 0.199 4.744 4.550 -0.008 0.000 0.324 144 Y C -1.048 174.790 175.900 -0.102 0.000 1.151 144 Y CA -1.206 56.904 58.100 0.017 0.000 1.053 144 Y CB 0.699 38.998 38.460 -0.268 0.000 1.277 144 Y HN 0.072 nan 8.280 nan 0.000 0.432 145 N N 3.659 121.779 118.700 -0.966 0.000 2.415 145 N HA 0.222 4.957 4.740 -0.009 0.000 0.250 145 N C 0.775 175.743 175.510 -0.903 0.000 1.127 145 N CA 0.511 53.179 53.050 -0.635 0.000 0.945 145 N CB 0.709 38.928 38.487 -0.446 0.000 1.196 145 N HN 0.945 nan 8.380 nan 0.000 0.499 146 G N 1.987 110.510 108.800 -0.461 0.000 2.939 146 G HA2 -0.065 3.890 3.960 -0.009 0.000 0.210 146 G HA3 -0.065 3.890 3.960 -0.009 0.000 0.210 146 G C -0.010 174.798 174.900 -0.152 0.000 1.160 146 G CA 0.127 45.075 45.100 -0.253 0.000 0.770 146 G HN 0.621 nan 8.290 nan 0.000 0.543 147 D N -0.201 120.116 120.400 -0.139 0.000 2.470 147 D HA 0.108 4.743 4.640 -0.009 0.000 0.233 147 D C 1.164 177.429 176.300 -0.059 0.000 1.372 147 D CA -0.126 53.829 54.000 -0.074 0.000 0.994 147 D CB 1.166 41.951 40.800 -0.025 0.000 1.377 147 D HN 0.026 nan 8.370 nan 0.000 0.586 148 S N 1.127 116.786 115.700 -0.068 0.000 2.522 148 S HA -0.110 4.355 4.470 -0.009 0.000 0.227 148 S C 1.560 176.151 174.600 -0.016 0.000 0.986 148 S CA 0.736 58.912 58.200 -0.041 0.000 0.929 148 S CB -0.183 62.986 63.200 -0.052 0.000 0.769 148 S HN 0.338 nan 8.310 nan 0.000 0.529 149 S N 2.052 117.742 115.700 -0.015 0.000 2.720 149 S HA 0.046 4.511 4.470 -0.009 0.000 0.222 149 S C 0.777 175.378 174.600 0.001 0.000 0.958 149 S CA 0.310 58.506 58.200 -0.008 0.000 0.943 149 S CB -0.751 62.444 63.200 -0.009 0.000 0.779 149 S HN 0.803 nan 8.310 nan 0.000 0.526 150 N N -0.797 117.910 118.700 0.012 0.000 2.143 150 N HA 0.178 4.913 4.740 -0.009 0.000 0.229 150 N C -1.428 174.098 175.510 0.027 0.000 1.294 150 N CA -0.496 52.566 53.050 0.021 0.000 0.883 150 N CB -0.230 38.282 38.487 0.041 0.000 1.148 150 N HN 0.038 nan 8.380 nan 0.000 0.511 151 D N 0.740 121.156 120.400 0.028 0.000 2.424 151 D HA 0.055 4.690 4.640 -0.009 0.000 0.244 151 D C -0.102 176.183 176.300 -0.026 0.000 1.134 151 D CA -0.040 53.983 54.000 0.040 0.000 0.881 151 D CB 1.603 42.432 40.800 0.049 0.000 1.191 151 D HN -0.082 nan 8.370 nan 0.000 0.445 152 V N 4.546 124.410 119.914 -0.083 0.000 2.387 152 V HA -0.002 4.113 4.120 -0.009 0.000 0.260 152 V C 0.780 176.767 176.094 -0.179 0.000 1.054 152 V CA -0.375 61.767 62.300 -0.264 0.000 0.967 152 V CB 0.271 31.632 31.823 -0.770 0.000 1.036 152 V HN 0.335 nan 8.190 nan 0.000 0.481 153 Q N 2.260 121.976 119.800 -0.140 0.000 2.407 153 Q HA 0.284 4.619 4.340 -0.009 0.000 0.214 153 Q C 0.382 176.316 176.000 -0.110 0.000 1.043 153 Q CA -0.170 55.577 55.803 -0.093 0.000 0.983 153 Q CB 0.449 29.151 28.738 -0.060 0.000 1.211 153 Q HN 0.638 nan 8.270 nan 0.000 0.564 154 T N 0.497 115.011 114.554 -0.067 0.000 2.870 154 T HA 0.334 4.679 4.350 -0.009 0.000 0.300 154 T C 0.950 175.653 174.700 0.006 0.000 0.989 154 T CA 0.697 62.780 62.100 -0.028 0.000 1.139 154 T CB 0.246 69.095 68.868 -0.032 0.000 0.920 154 T HN 0.769 nan 8.240 nan 0.000 0.537 155 G N 2.767 111.588 108.800 0.034 0.000 2.162 155 G HA2 -0.326 3.629 3.960 -0.009 0.000 0.260 155 G HA3 -0.326 3.629 3.960 -0.009 0.000 0.260 155 G C 1.319 176.191 174.900 -0.046 0.000 0.976 155 G CA 0.527 45.634 45.100 0.010 0.000 0.655 155 G HN 0.698 nan 8.290 nan 0.000 0.533 156 S N -0.875 114.750 115.700 -0.125 0.000 2.387 156 S HA 0.152 4.617 4.470 -0.009 0.000 0.230 156 S C 0.744 175.347 174.600 0.005 0.000 1.035 156 S CA 1.993 60.129 58.200 -0.106 0.000 1.014 156 S CB -0.251 62.825 63.200 -0.207 0.000 0.836 156 S HN 1.663 nan 8.310 nan 0.000 0.466 157 Y N -1.280 118.990 120.300 -0.050 0.000 2.779 157 Y HA 0.588 5.133 4.550 -0.009 0.000 0.340 157 Y C -0.842 175.051 175.900 -0.011 0.000 1.252 157 Y CA -1.476 56.597 58.100 -0.045 0.000 1.072 157 Y CB 0.583 38.998 38.460 -0.075 0.000 1.343 157 Y HN -0.053 nan 8.280 nan 0.000 0.450 158 T N -0.894 113.848 114.554 0.314 0.000 2.908 158 T HA 0.628 4.972 4.350 -0.009 0.000 0.290 158 T C -1.888 172.969 174.700 0.262 0.000 1.034 158 T CA -0.662 61.558 62.100 0.200 0.000 1.010 158 T CB 2.107 71.007 68.868 0.054 0.000 1.068 158 T HN 1.008 nan 8.240 nan 0.000 0.481 159 Y N 2.183 122.519 120.300 0.061 0.000 2.329 159 Y HA 0.429 4.974 4.550 -0.008 0.000 0.328 159 Y C 0.593 176.406 175.900 -0.145 0.000 0.992 159 Y CA -0.538 57.529 58.100 -0.056 0.000 1.151 159 Y CB 0.938 39.435 38.460 0.061 0.000 1.150 159 Y HN 1.115 nan 8.280 nan 0.000 0.450 160 N N 4.517 122.606 118.700 -1.019 0.000 2.735 160 N HA -0.243 4.492 4.740 -0.009 0.000 0.248 160 N C 0.867 176.192 175.510 -0.309 0.000 1.083 160 N CA 0.863 53.431 53.050 -0.802 0.000 0.703 160 N CB -0.999 36.990 38.487 -0.831 0.000 1.005 160 N HN 1.418 nan 8.380 nan 0.000 0.550 161 G N -2.015 106.655 108.800 -0.217 0.000 2.284 161 G HA2 -0.306 3.649 3.960 -0.009 0.000 0.247 161 G HA3 -0.306 3.649 3.960 -0.009 0.000 0.247 161 G C 0.190 175.049 174.900 -0.067 0.000 1.012 161 G CA 0.652 45.692 45.100 -0.100 0.000 0.618 161 G HN 0.484 nan 8.290 nan 0.000 0.521 162 T N 4.801 119.325 114.554 -0.050 0.000 2.817 162 T HA 0.557 4.902 4.350 -0.009 0.000 0.293 162 T C -2.012 172.701 174.700 0.022 0.000 0.964 162 T CA -0.491 61.599 62.100 -0.017 0.000 1.085 162 T CB 2.427 71.320 68.868 0.042 0.000 0.921 162 T HN 0.304 nan 8.240 nan 0.000 0.502 163 P HA 0.202 nan 4.420 nan 0.000 0.281 163 P C -0.049 177.322 177.300 0.119 0.000 1.249 163 P CA -0.525 62.578 63.100 0.005 0.000 0.810 163 P CB 0.453 32.125 31.700 -0.046 0.000 1.008 164 T N -1.359 113.192 114.554 -0.005 0.000 2.899 164 T HA 0.258 4.603 4.350 -0.009 0.000 0.295 164 T C -0.113 174.678 174.700 0.152 0.000 1.033 164 T CA -0.528 61.576 62.100 0.008 0.000 1.084 164 T CB 0.810 69.398 68.868 -0.466 0.000 0.979 164 T HN 0.519 nan 8.240 nan 0.000 0.532 165 E N 0.721 121.002 120.200 0.135 0.000 2.218 165 E HA 0.325 4.670 4.350 -0.009 0.000 0.263 165 E C -0.790 175.767 176.600 -0.072 0.000 0.879 165 E CA -0.834 55.488 56.400 -0.128 0.000 0.762 165 E CB 1.320 30.752 29.700 -0.447 0.000 1.166 165 E HN 0.708 nan 8.360 nan 0.000 0.415 166 K N 3.853 124.180 120.400 -0.123 0.000 2.098 166 K HA 0.385 4.700 4.320 -0.009 0.000 0.261 166 K C -0.949 175.511 176.600 -0.235 0.000 0.987 166 K CA -0.440 55.779 56.287 -0.112 0.000 0.916 166 K CB 0.923 33.380 32.500 -0.072 0.000 1.039 166 K HN 0.367 nan 8.250 nan 0.000 0.455 167 K N 1.447 121.628 120.400 -0.366 0.000 2.502 167 K HA 0.381 4.696 4.320 -0.009 0.000 0.257 167 K C -1.152 175.236 176.600 -0.354 0.000 0.938 167 K CA -1.057 54.953 56.287 -0.462 0.000 0.819 167 K CB 2.022 34.052 32.500 -0.782 0.000 1.333 167 K HN 0.722 nan 8.250 nan 0.000 0.434 168 A N 1.903 124.628 122.820 -0.157 0.000 2.498 168 A HA -0.019 4.296 4.320 -0.009 0.000 0.239 168 A C -0.353 177.320 177.584 0.148 0.000 1.068 168 A CA -0.231 51.822 52.037 0.026 0.000 0.766 168 A CB 0.072 19.100 19.000 0.047 0.000 1.003 168 A HN 0.757 nan 8.150 nan 0.000 0.497 169 W N 2.357 123.736 121.300 0.132 0.000 2.417 169 W HA 0.297 4.953 4.660 -0.007 0.000 0.332 169 W C 0.964 177.634 176.519 0.252 0.000 1.413 169 W CA 1.845 59.360 57.345 0.283 0.000 1.299 169 W CB 0.248 29.835 29.460 0.211 0.000 1.304 169 W HN 1.412 nan 8.180 nan 0.000 0.565 170 G N 2.958 111.736 108.800 -0.037 0.000 2.232 170 G HA2 -0.310 3.645 3.960 -0.009 0.000 0.226 170 G HA3 -0.310 3.645 3.960 -0.009 0.000 0.226 170 G C 0.381 175.341 174.900 0.101 0.000 0.996 170 G CA 0.186 45.287 45.100 0.002 0.000 0.626 170 G HN 0.923 nan 8.290 nan 0.000 0.509 171 S N 0.242 116.056 115.700 0.190 0.000 2.606 171 S HA 0.618 5.083 4.470 -0.009 0.000 0.257 171 S C 0.827 175.564 174.600 0.229 0.000 1.327 171 S CA 0.778 59.063 58.200 0.142 0.000 0.984 171 S CB 1.351 64.570 63.200 0.030 0.000 0.941 171 S HN 1.589 nan 8.310 nan 0.000 0.576 172 S N -0.699 115.096 115.700 0.158 0.000 2.573 172 S HA 0.123 4.588 4.470 -0.009 0.000 0.277 172 S C 1.028 175.806 174.600 0.297 0.000 1.346 172 S CA -0.526 57.794 58.200 0.199 0.000 1.034 172 S CB 0.233 63.537 63.200 0.173 0.000 0.879 172 S HN 0.580 nan 8.310 nan 0.000 0.528 173 V N 3.964 124.017 119.914 0.232 0.000 2.331 173 V HA 0.026 4.141 4.120 -0.009 0.000 0.242 173 V C 0.247 176.379 176.094 0.064 0.000 1.034 173 V CA 0.916 63.298 62.300 0.136 0.000 1.027 173 V CB -0.791 30.925 31.823 -0.179 0.000 0.667 173 V HN 0.852 nan 8.190 nan 0.000 0.457 174 Y N 0.660 121.005 120.300 0.074 0.000 2.903 174 Y HA 0.249 4.794 4.550 -0.008 0.000 0.338 174 Y C 0.748 176.677 175.900 0.048 0.000 1.265 174 Y CA 0.195 58.330 58.100 0.058 0.000 1.532 174 Y CB -0.155 38.332 38.460 0.046 0.000 1.293 174 Y HN 0.219 nan 8.280 nan 0.000 0.609 175 A N 3.397 126.335 122.820 0.198 0.000 2.363 175 A HA 0.255 4.570 4.320 -0.009 0.000 0.270 175 A C -0.223 177.450 177.584 0.149 0.000 1.121 175 A CA -0.979 51.138 52.037 0.133 0.000 0.800 175 A CB 0.058 19.161 19.000 0.172 0.000 1.052 175 A HN 0.708 nan 8.150 nan 0.000 0.493 176 D N 2.793 123.243 120.400 0.084 0.000 2.378 176 D HA 0.249 4.884 4.640 -0.009 0.000 0.238 176 D C -2.100 174.333 176.300 0.222 0.000 1.180 176 D CA -0.762 53.306 54.000 0.112 0.000 0.895 176 D CB 0.098 40.924 40.800 0.043 0.000 1.192 176 D HN 0.366 nan 8.370 nan 0.000 0.438 177 P HA 0.041 nan 4.420 nan 0.000 0.262 177 P C 0.686 178.099 177.300 0.187 0.000 1.182 177 P CA 0.337 63.527 63.100 0.149 0.000 0.761 177 P CB 0.678 32.432 31.700 0.091 0.000 0.795 178 G N 1.566 110.427 108.800 0.102 0.000 2.211 178 G HA2 -0.170 3.785 3.960 -0.009 0.000 0.201 178 G HA3 -0.170 3.785 3.960 -0.009 0.000 0.201 178 G C -0.464 174.243 174.900 -0.321 0.000 0.997 178 G CA -0.389 44.654 45.100 -0.096 0.000 0.652 178 G HN 0.496 nan 8.290 nan 0.000 0.500 179 Y N -0.000 120.330 120.300 0.050 0.000 2.693 179 Y HA 0.730 5.275 4.550 -0.008 0.000 0.331 179 Y C -0.201 175.748 175.900 0.081 0.000 1.092 179 Y CA -1.055 57.081 58.100 0.061 0.000 1.131 179 Y CB 1.335 39.828 38.460 0.055 0.000 1.318 179 Y HN 0.072 nan 8.280 nan 0.000 0.510 180 D N -0.772 119.794 120.400 0.276 0.000 2.481 180 D HA 0.319 4.954 4.640 -0.009 0.000 0.244 180 D C 0.235 176.646 176.300 0.185 0.000 1.057 180 D CA -0.407 53.718 54.000 0.208 0.000 0.848 180 D CB 1.075 41.996 40.800 0.202 0.000 1.388 180 D HN 0.394 nan 8.370 nan 0.000 0.475 181 N N 0.756 119.549 118.700 0.155 0.000 2.205 181 N HA -0.124 4.611 4.740 -0.009 0.000 0.186 181 N C 1.077 176.637 175.510 0.084 0.000 1.015 181 N CA 0.756 53.868 53.050 0.103 0.000 0.862 181 N CB -0.026 38.508 38.487 0.078 0.000 0.986 181 N HN 0.267 nan 8.380 nan 0.000 0.429 182 S N 0.294 116.074 115.700 0.133 0.000 2.561 182 S HA 0.150 4.615 4.470 -0.009 0.000 0.225 182 S C 1.312 175.933 174.600 0.036 0.000 0.977 182 S CA 0.275 58.557 58.200 0.138 0.000 0.926 182 S CB 0.155 63.493 63.200 0.230 0.000 0.769 182 S HN 0.275 nan 8.310 nan 0.000 0.533 183 L N 1.316 122.591 121.223 0.086 0.000 3.110 183 L HA 0.332 4.667 4.340 -0.009 0.000 0.266 183 L C -0.721 176.243 176.870 0.157 0.000 1.257 183 L CA -0.159 54.795 54.840 0.190 0.000 1.038 183 L CB 0.690 42.930 42.059 0.302 0.000 1.395 183 L HN 0.025 nan 8.230 nan 0.000 0.566 184 V N 0.501 120.347 119.914 -0.114 0.000 2.407 184 V HA 0.395 4.510 4.120 -0.009 0.000 0.278 184 V C -0.441 175.516 176.094 -0.229 0.000 1.037 184 V CA -0.166 62.109 62.300 -0.042 0.000 0.900 184 V CB 1.327 33.158 31.823 0.014 0.000 0.983 184 V HN 0.022 nan 8.190 nan 0.000 0.459 185 F N 3.762 123.746 119.950 0.056 0.000 2.540 185 F HA 0.579 5.100 4.527 -0.009 0.000 0.317 185 F C 0.217 176.076 175.800 0.098 0.000 1.104 185 F CA -0.784 57.314 58.000 0.164 0.000 0.913 185 F CB 1.719 40.780 39.000 0.101 0.000 1.170 185 F HN 0.313 nan 8.300 nan 0.000 0.450 186 F N 0.613 120.723 119.950 0.267 0.000 2.717 186 F HA 0.339 4.861 4.527 -0.009 0.000 0.295 186 F C 1.749 177.794 175.800 0.408 0.000 1.117 186 F CA 0.482 58.629 58.000 0.245 0.000 1.361 186 F CB 0.394 39.418 39.000 0.041 0.000 1.112 186 F HN 0.705 nan 8.300 nan 0.000 0.594 187 G N -0.142 109.001 108.800 0.571 0.000 2.184 187 G HA2 -0.156 3.799 3.960 -0.009 0.000 0.206 187 G HA3 -0.156 3.799 3.960 -0.009 0.000 0.206 187 G C 0.768 175.907 174.900 0.398 0.000 0.995 187 G CA -0.378 44.978 45.100 0.426 0.000 0.651 187 G HN 0.656 nan 8.290 nan 0.000 0.511 188 G N 0.574 109.688 108.800 0.523 0.000 2.391 188 G HA2 0.528 4.482 3.960 -0.009 0.000 0.234 188 G HA3 0.528 4.482 3.960 -0.009 0.000 0.234 188 G C 0.020 175.008 174.900 0.147 0.000 1.284 188 G CA 1.137 46.449 45.100 0.355 0.000 0.873 188 G HN 1.228 nan 8.290 nan 0.000 0.549 189 D N -0.057 120.363 120.400 0.032 0.000 2.665 189 D HA 0.205 4.839 4.640 -0.009 0.000 0.287 189 D C 1.168 177.432 176.300 -0.059 0.000 1.266 189 D CA -0.953 53.027 54.000 -0.034 0.000 0.830 189 D CB 0.463 41.333 40.800 0.117 0.000 1.356 189 D HN 0.185 nan 8.370 nan 0.000 0.437 190 L N -0.001 121.194 121.223 -0.046 0.000 2.017 190 L HA -0.117 4.218 4.340 -0.009 0.000 0.208 190 L C 2.560 179.442 176.870 0.020 0.000 1.073 190 L CA 1.859 56.682 54.840 -0.029 0.000 0.745 190 L CB -0.840 41.222 42.059 0.004 0.000 0.894 190 L HN 0.688 nan 8.230 nan 0.000 0.432 191 A N 0.620 123.459 122.820 0.031 0.000 1.917 191 A HA -0.193 4.122 4.320 -0.009 0.000 0.219 191 A C 2.405 180.026 177.584 0.062 0.000 1.182 191 A CA 2.014 54.069 52.037 0.030 0.000 0.633 191 A CB -1.302 17.707 19.000 0.015 0.000 0.819 191 A HN 0.477 nan 8.150 nan 0.000 0.448 192 G N -0.015 108.841 108.800 0.094 0.000 2.421 192 G HA2 -0.192 3.763 3.960 -0.009 0.000 0.216 192 G HA3 -0.192 3.763 3.960 -0.009 0.000 0.216 192 G C 1.530 176.592 174.900 0.269 0.000 1.171 192 G CA 1.096 46.364 45.100 0.280 0.000 0.775 192 G HN 0.499 nan 8.290 nan 0.000 0.543 193 I N 0.991 121.711 120.570 0.251 0.000 2.163 193 I HA -0.201 3.964 4.170 -0.009 0.000 0.243 193 I C 2.448 178.641 176.117 0.127 0.000 1.085 193 I CA 1.720 63.185 61.300 0.275 0.000 1.347 193 I CB -0.342 37.723 38.000 0.108 0.000 1.044 193 I HN 0.180 nan 8.210 nan 0.000 0.408 194 D N 0.784 121.217 120.400 0.056 0.000 2.104 194 D HA -0.246 4.389 4.640 -0.009 0.000 0.194 194 D C 2.213 178.504 176.300 -0.015 0.000 0.994 194 D CA 1.609 55.614 54.000 0.008 0.000 0.830 194 D CB -0.011 40.788 40.800 -0.003 0.000 0.959 194 D HN 0.349 nan 8.370 nan 0.000 0.452 195 Q N -0.995 118.791 119.800 -0.023 0.000 2.291 195 Q HA -0.042 4.293 4.340 -0.009 0.000 0.205 195 Q C 1.090 176.962 176.000 -0.213 0.000 0.970 195 Q CA 0.732 56.472 55.803 -0.105 0.000 0.876 195 Q CB 0.240 28.926 28.738 -0.087 0.000 0.935 195 Q HN 0.126 nan 8.270 nan 0.000 0.455 196 K N 0.350 120.645 120.400 -0.176 0.000 2.397 196 K HA 0.159 4.474 4.320 -0.009 0.000 0.202 196 K C 1.374 178.015 176.600 0.069 0.000 1.022 196 K CA 0.017 56.195 56.287 -0.181 0.000 1.141 196 K CB 0.481 32.813 32.500 -0.280 0.000 0.857 196 K HN 0.235 nan 8.250 nan 0.000 0.514 197 L N -0.173 121.064 121.223 0.023 0.000 2.131 197 L HA -0.134 4.201 4.340 -0.009 0.000 0.210 197 L C 2.189 179.059 176.870 -0.000 0.000 1.092 197 L CA 1.524 56.373 54.840 0.014 0.000 0.759 197 L CB -0.613 41.433 42.059 -0.021 0.000 0.903 197 L HN 0.268 nan 8.230 nan 0.000 0.435 198 G N -0.852 107.946 108.800 -0.003 0.000 2.422 198 G HA2 -0.352 3.603 3.960 -0.009 0.000 0.218 198 G HA3 -0.352 3.603 3.960 -0.009 0.000 0.218 198 G C 1.463 176.386 174.900 0.039 0.000 1.146 198 G CA 0.715 45.814 45.100 -0.001 0.000 0.769 198 G HN 0.381 nan 8.290 nan 0.000 0.547 199 Y N 1.275 121.566 120.300 -0.016 0.000 2.200 199 Y HA -0.007 4.537 4.550 -0.009 0.000 0.290 199 Y C 2.469 178.372 175.900 0.006 0.000 1.137 199 Y CA 1.142 59.275 58.100 0.054 0.000 1.163 199 Y CB -0.151 38.428 38.460 0.200 0.000 0.988 199 Y HN 0.196 nan 8.280 nan 0.000 0.518 200 I N 0.291 120.770 120.570 -0.152 0.000 2.133 200 I HA -0.273 3.892 4.170 -0.009 0.000 0.238 200 I C 2.098 178.052 176.117 -0.271 0.000 1.074 200 I CA 1.697 62.776 61.300 -0.368 0.000 1.342 200 I CB -0.377 37.478 38.000 -0.241 0.000 1.053 200 I HN 0.087 nan 8.210 nan 0.000 0.404 201 K N 0.373 120.686 120.400 -0.144 0.000 2.418 201 K HA 0.005 4.320 4.320 -0.009 0.000 0.195 201 K C 1.624 178.173 176.600 -0.085 0.000 1.035 201 K CA 0.619 56.847 56.287 -0.098 0.000 1.003 201 K CB 0.304 32.764 32.500 -0.066 0.000 0.793 201 K HN 0.330 nan 8.250 nan 0.000 0.494 202 K N -0.560 119.784 120.400 -0.092 0.000 2.354 202 K HA 0.096 4.411 4.320 -0.009 0.000 0.210 202 K C 1.967 178.524 176.600 -0.072 0.000 1.184 202 K CA 0.423 56.673 56.287 -0.062 0.000 0.880 202 K CB 0.229 32.710 32.500 -0.032 0.000 1.328 202 K HN -0.154 nan 8.250 nan 0.000 0.466 203 T N 2.282 116.783 114.554 -0.087 0.000 2.759 203 T HA -0.078 4.267 4.350 -0.009 0.000 0.269 203 T C 1.763 176.374 174.700 -0.147 0.000 1.042 203 T CA 1.224 63.282 62.100 -0.071 0.000 1.140 203 T CB -0.035 68.849 68.868 0.026 0.000 0.864 203 T HN 0.049 nan 8.240 nan 0.000 0.455 204 L N -1.086 119.967 121.223 -0.283 0.000 2.347 204 L HA 0.379 4.714 4.340 -0.009 0.000 0.196 204 L C 2.242 179.043 176.870 -0.116 0.000 1.072 204 L CA 0.747 55.459 54.840 -0.214 0.000 0.817 204 L CB -0.103 41.754 42.059 -0.337 0.000 1.029 204 L HN 0.482 nan 8.230 nan 0.000 0.478 205 G N -0.154 108.569 108.800 -0.128 0.000 2.211 205 G HA2 -0.180 3.775 3.960 -0.009 0.000 0.201 205 G HA3 -0.180 3.775 3.960 -0.009 0.000 0.201 205 G C 0.413 175.291 174.900 -0.038 0.000 0.997 205 G CA -0.150 44.911 45.100 -0.064 0.000 0.652 205 G HN 0.471 nan 8.290 nan 0.000 0.500 206 A N 0.560 123.349 122.820 -0.052 0.000 2.531 206 A HA 0.530 4.845 4.320 -0.009 0.000 0.236 206 A C 1.018 178.615 177.584 0.022 0.000 1.062 206 A CA 1.200 53.244 52.037 0.011 0.000 0.760 206 A CB -0.107 18.914 19.000 0.034 0.000 0.995 206 A HN 1.250 nan 8.150 nan 0.000 0.501 207 N N 0.570 119.322 118.700 0.086 0.000 2.177 207 N HA 0.324 5.059 4.740 -0.009 0.000 0.218 207 N C -0.682 174.945 175.510 0.196 0.000 1.182 207 N CA -0.305 52.813 53.050 0.112 0.000 0.882 207 N CB 0.357 38.934 38.487 0.150 0.000 1.052 207 N HN 0.504 nan 8.380 nan 0.000 0.519 208 I N 1.318 122.005 120.570 0.195 0.000 2.499 208 I HA 0.344 4.509 4.170 -0.009 0.000 0.288 208 I C -1.368 174.856 176.117 0.179 0.000 1.048 208 I CA -1.016 60.425 61.300 0.234 0.000 1.062 208 I CB 2.009 40.188 38.000 0.299 0.000 1.238 208 I HN -0.074 nan 8.210 nan 0.000 0.426 209 L N 6.768 128.072 121.223 0.136 0.000 2.329 209 L HA 0.447 4.782 4.340 -0.009 0.000 0.279 209 L C -0.839 176.102 176.870 0.118 0.000 1.014 209 L CA -0.608 54.291 54.840 0.098 0.000 0.814 209 L CB 1.196 43.260 42.059 0.008 0.000 1.257 209 L HN 0.386 nan 8.230 nan 0.000 0.424 210 Y N 4.132 124.405 120.300 -0.046 0.000 2.326 210 Y HA 0.715 5.260 4.550 -0.009 0.000 0.331 210 Y C -1.559 174.244 175.900 -0.162 0.000 0.962 210 Y CA -1.457 56.588 58.100 -0.092 0.000 1.167 210 Y CB 0.988 39.405 38.460 -0.071 0.000 1.148 210 Y HN 0.442 nan 8.280 nan 0.000 0.463 211 L N 5.818 126.807 121.223 -0.389 0.000 2.325 211 L HA 0.482 4.817 4.340 -0.009 0.000 0.278 211 L C 0.031 176.470 176.870 -0.719 0.000 1.023 211 L CA -0.972 53.511 54.840 -0.595 0.000 0.811 211 L CB 1.605 43.410 42.059 -0.423 0.000 1.249 211 L HN 0.680 nan 8.230 nan 0.000 0.431 212 N N 1.730 119.974 118.700 -0.761 0.000 2.294 212 N HA 0.178 4.913 4.740 -0.009 0.000 0.248 212 N C -2.498 172.648 175.510 -0.606 0.000 1.300 212 N CA -0.781 51.869 53.050 -0.666 0.000 0.925 212 N CB 0.050 38.136 38.487 -0.668 0.000 1.188 212 N HN 0.375 nan 8.380 nan 0.000 0.512 213 P HA -0.072 nan 4.420 nan 0.000 0.261 213 P C -0.105 176.931 177.300 -0.439 0.000 1.165 213 P CA 0.801 63.527 63.100 -0.624 0.000 0.759 213 P CB 0.134 31.391 31.700 -0.739 0.000 0.772 214 I N -1.685 118.561 120.570 -0.539 0.000 4.240 214 I HA 0.315 4.480 4.170 -0.009 0.000 0.331 214 I C -0.324 175.692 176.117 -0.168 0.000 1.381 214 I CA -0.223 60.961 61.300 -0.194 0.000 1.136 214 I CB 0.092 37.930 38.000 -0.271 0.000 1.137 214 I HN -0.088 nan 8.210 nan 0.000 0.411 215 F N 2.030 121.925 119.950 -0.091 0.000 2.370 215 F HA 0.490 5.012 4.527 -0.009 0.000 0.324 215 F C 0.933 176.617 175.800 -0.193 0.000 1.116 215 F CA -1.344 56.586 58.000 -0.116 0.000 1.123 215 F CB 0.328 39.268 39.000 -0.101 0.000 1.238 215 F HN -0.163 nan 8.300 nan 0.000 0.536 216 K N 1.662 122.082 120.400 0.033 0.000 2.441 216 K HA 0.353 4.668 4.320 -0.009 0.000 0.273 216 K C -0.931 175.572 176.600 -0.163 0.000 1.090 216 K CA 0.569 56.791 56.287 -0.110 0.000 1.158 216 K CB -0.600 31.834 32.500 -0.109 0.000 0.847 216 K HN 0.791 nan 8.250 nan 0.000 0.483 217 A N 5.957 128.656 122.820 -0.201 0.000 2.594 217 A HA 0.444 4.759 4.320 -0.009 0.000 0.296 217 A C -2.381 175.074 177.584 -0.215 0.000 1.061 217 A CA -0.985 50.928 52.037 -0.206 0.000 0.689 217 A CB 1.397 20.272 19.000 -0.209 0.000 1.280 217 A HN 0.559 nan 8.150 nan 0.000 0.406 218 P HA -0.035 nan 4.420 nan 0.000 0.218 218 P C 1.007 178.313 177.300 0.010 0.000 1.152 218 P CA 1.836 64.826 63.100 -0.183 0.000 0.826 218 P CB -0.283 31.190 31.700 -0.378 0.000 0.790 219 T N -1.165 113.256 114.554 -0.221 0.000 2.698 219 T HA 0.076 4.421 4.350 -0.009 0.000 0.295 219 T C 1.359 175.976 174.700 -0.138 0.000 1.007 219 T CA -0.131 61.838 62.100 -0.218 0.000 0.980 219 T CB -0.095 68.376 68.868 -0.662 0.000 1.036 219 T HN 0.220 nan 8.240 nan 0.000 0.526 220 N N -0.250 118.245 118.700 -0.343 0.000 2.424 220 N HA -0.103 4.632 4.740 -0.009 0.000 0.178 220 N C 1.776 177.258 175.510 -0.046 0.000 1.060 220 N CA 0.288 53.116 53.050 -0.371 0.000 0.901 220 N CB -0.374 37.715 38.487 -0.663 0.000 0.979 220 N HN 0.855 nan 8.380 nan 0.000 0.451 221 H N 0.723 119.848 119.070 0.091 0.000 2.486 221 H HA 0.222 4.773 4.556 -0.009 0.000 0.287 221 H C 0.002 175.253 175.328 -0.128 0.000 1.010 221 H CA 0.333 56.438 56.048 0.094 0.000 1.324 221 H CB 0.048 30.062 29.762 0.420 0.000 1.446 221 H HN 0.002 nan 8.280 nan 0.000 0.537 222 K N -0.101 120.071 120.400 -0.379 0.000 3.167 222 K HA -0.222 4.093 4.320 -0.009 0.000 0.272 222 K C -0.541 175.960 176.600 -0.165 0.000 1.137 222 K CA 0.689 56.806 56.287 -0.283 0.000 0.800 222 K CB -2.157 30.179 32.500 -0.273 0.000 1.253 222 K HN 0.390 nan 8.250 nan 0.000 0.497 223 Y N 1.063 121.488 120.300 0.208 0.000 2.490 223 Y HA -0.027 4.518 4.550 -0.008 0.000 0.281 223 Y C 1.241 177.229 175.900 0.147 0.000 1.174 223 Y CA 0.574 58.776 58.100 0.170 0.000 1.295 223 Y CB 0.382 38.947 38.460 0.174 0.000 1.062 223 Y HN 0.216 nan 8.280 nan 0.000 0.522 224 D N -0.352 120.153 120.400 0.176 0.000 2.772 224 D HA 0.050 4.685 4.640 -0.009 0.000 0.273 224 D C -0.313 175.986 176.300 -0.002 0.000 1.233 224 D CA -0.246 53.827 54.000 0.121 0.000 0.984 224 D CB -0.325 40.517 40.800 0.070 0.000 1.000 224 D HN -0.096 nan 8.370 nan 0.000 0.514 225 T N 0.847 115.374 114.554 -0.045 0.000 2.891 225 T HA -0.099 4.246 4.350 -0.009 0.000 0.296 225 T C 0.996 175.606 174.700 -0.150 0.000 1.025 225 T CA 0.434 62.404 62.100 -0.217 0.000 1.149 225 T CB 1.747 70.249 68.868 -0.610 0.000 1.007 225 T HN 0.420 nan 8.240 nan 0.000 0.528 226 Q N 1.060 120.723 119.800 -0.228 0.000 2.423 226 Q HA 0.080 4.415 4.340 -0.009 0.000 0.231 226 Q C -0.244 175.367 176.000 -0.648 0.000 0.894 226 Q CA 0.251 55.882 55.803 -0.288 0.000 0.938 226 Q CB 0.763 29.409 28.738 -0.155 0.000 1.079 226 Q HN 0.641 nan 8.270 nan 0.000 0.552 227 D N -0.964 119.151 120.400 -0.475 0.000 2.354 227 D HA 0.088 4.723 4.640 -0.009 0.000 0.230 227 D C -0.626 175.514 176.300 -0.268 0.000 1.361 227 D CA -0.374 53.362 54.000 -0.441 0.000 0.992 227 D CB 0.283 40.899 40.800 -0.307 0.000 1.409 227 D HN 0.068 nan 8.370 nan 0.000 0.573 228 Y N 1.814 122.014 120.300 -0.166 0.000 2.352 228 Y HA -0.081 4.463 4.550 -0.009 0.000 0.292 228 Y C 2.169 177.793 175.900 -0.459 0.000 1.136 228 Y CA 0.728 58.649 58.100 -0.298 0.000 1.227 228 Y CB 0.036 38.440 38.460 -0.095 0.000 0.991 228 Y HN 0.399 nan 8.280 nan 0.000 0.545 229 M N -0.596 118.971 119.600 -0.054 0.000 2.618 229 M HA 0.215 4.690 4.480 -0.009 0.000 0.240 229 M C 0.390 176.702 176.300 0.021 0.000 1.123 229 M CA 0.216 55.501 55.300 -0.024 0.000 1.060 229 M CB -1.054 31.543 32.600 -0.004 0.000 1.535 229 M HN 0.095 nan 8.290 nan 0.000 0.507 230 A N 0.260 123.085 122.820 0.008 0.000 2.422 230 A HA 0.623 4.938 4.320 -0.009 0.000 0.302 230 A C -0.343 177.353 177.584 0.186 0.000 1.041 230 A CA -0.674 51.420 52.037 0.095 0.000 0.708 230 A CB 1.395 20.419 19.000 0.040 0.000 1.257 230 A HN -0.031 nan 8.150 nan 0.000 0.414 231 V N 2.636 122.693 119.914 0.240 0.000 2.740 231 V HA 0.031 4.146 4.120 -0.009 0.000 0.303 231 V C 0.766 176.923 176.094 0.105 0.000 1.054 231 V CA -0.108 62.340 62.300 0.247 0.000 1.106 231 V CB 0.950 32.908 31.823 0.224 0.000 0.957 231 V HN 0.933 nan 8.190 nan 0.000 0.486 232 D N 5.704 126.111 120.400 0.011 0.000 2.424 232 D HA 0.066 4.700 4.640 -0.009 0.000 0.244 232 D C -1.607 174.619 176.300 -0.124 0.000 1.134 232 D CA -1.351 52.553 54.000 -0.159 0.000 0.881 232 D CB 1.897 42.435 40.800 -0.437 0.000 1.191 232 D HN 0.241 nan 8.370 nan 0.000 0.445 233 P HA -0.169 nan 4.420 nan 0.000 0.217 233 P C 0.831 178.110 177.300 -0.036 0.000 1.148 233 P CA 1.645 64.714 63.100 -0.052 0.000 0.834 233 P CB 0.144 31.802 31.700 -0.069 0.000 0.783 234 A N -2.135 120.613 122.820 -0.120 0.000 2.067 234 A HA -0.090 4.225 4.320 -0.009 0.000 0.219 234 A C 1.807 179.533 177.584 0.237 0.000 1.158 234 A CA 1.102 53.119 52.037 -0.033 0.000 0.661 234 A CB -1.446 17.465 19.000 -0.148 0.000 0.801 234 A HN 0.229 nan 8.150 nan 0.000 0.452 235 F N -1.486 118.479 119.950 0.026 0.000 2.731 235 F HA 0.387 4.909 4.527 -0.008 0.000 0.298 235 F C 1.487 177.297 175.800 0.016 0.000 1.106 235 F CA 0.044 58.053 58.000 0.016 0.000 1.329 235 F CB 0.543 39.531 39.000 -0.020 0.000 1.100 235 F HN 0.476 nan 8.300 nan 0.000 0.592 236 G N 1.053 109.968 108.800 0.192 0.000 2.280 236 G HA2 -0.040 3.915 3.960 -0.009 0.000 0.277 236 G HA3 -0.040 3.915 3.960 -0.009 0.000 0.277 236 G C -2.060 172.904 174.900 0.107 0.000 1.288 236 G CA -0.411 44.763 45.100 0.122 0.000 1.075 236 G HN 0.129 nan 8.290 nan 0.000 0.480 237 D N -1.229 119.232 120.400 0.102 0.000 2.621 237 D HA 0.528 5.163 4.640 -0.009 0.000 0.255 237 D C 0.882 177.274 176.300 0.153 0.000 1.122 237 D CA -0.717 53.348 54.000 0.109 0.000 1.096 237 D CB 0.210 41.058 40.800 0.081 0.000 1.282 237 D HN 0.216 nan 8.370 nan 0.000 0.619 238 N N -0.792 118.018 118.700 0.183 0.000 2.381 238 N HA -0.105 4.630 4.740 -0.009 0.000 0.182 238 N C 1.434 177.084 175.510 0.232 0.000 1.025 238 N CA 0.982 54.202 53.050 0.283 0.000 0.888 238 N CB -0.104 38.581 38.487 0.330 0.000 0.965 238 N HN 0.364 nan 8.380 nan 0.000 0.438 239 S N -0.706 115.072 115.700 0.131 0.000 2.371 239 S HA -0.067 4.398 4.470 -0.009 0.000 0.224 239 S C 1.716 176.357 174.600 0.068 0.000 1.029 239 S CA 1.400 59.642 58.200 0.070 0.000 0.978 239 S CB -0.430 62.795 63.200 0.043 0.000 0.833 239 S HN 0.348 nan 8.310 nan 0.000 0.466 240 T N 2.865 117.468 114.554 0.081 0.000 2.720 240 T HA -0.104 4.241 4.350 -0.009 0.000 0.268 240 T C 1.678 176.422 174.700 0.073 0.000 1.037 240 T CA 1.465 63.605 62.100 0.066 0.000 1.144 240 T CB -0.512 68.401 68.868 0.074 0.000 0.864 240 T HN 0.320 nan 8.240 nan 0.000 0.444 241 L N 1.189 122.489 121.223 0.129 0.000 2.017 241 L HA -0.064 4.271 4.340 -0.009 0.000 0.208 241 L C 2.454 179.400 176.870 0.127 0.000 1.073 241 L CA 1.723 56.653 54.840 0.150 0.000 0.745 241 L CB -0.820 41.403 42.059 0.274 0.000 0.894 241 L HN 0.230 nan 8.230 nan 0.000 0.432 242 Q N -1.221 118.654 119.800 0.124 0.000 2.135 242 Q HA -0.195 4.140 4.340 -0.009 0.000 0.204 242 Q C 1.980 177.964 176.000 -0.026 0.000 0.981 242 Q CA 2.228 58.038 55.803 0.011 0.000 0.856 242 Q CB -0.340 28.344 28.738 -0.089 0.000 0.902 242 Q HN 0.551 nan 8.270 nan 0.000 0.425 243 T N 1.324 115.871 114.554 -0.013 0.000 2.777 243 T HA -0.117 4.228 4.350 -0.009 0.000 0.266 243 T C 1.735 176.408 174.700 -0.044 0.000 1.040 243 T CA 0.930 63.013 62.100 -0.028 0.000 1.141 243 T CB -0.229 68.631 68.868 -0.014 0.000 0.868 243 T HN 0.148 nan 8.240 nan 0.000 0.444 244 L N 1.304 122.507 121.223 -0.034 0.000 2.017 244 L HA 0.019 4.354 4.340 -0.009 0.000 0.208 244 L C 2.128 178.930 176.870 -0.114 0.000 1.073 244 L CA 1.612 56.418 54.840 -0.056 0.000 0.745 244 L CB -0.707 41.328 42.059 -0.040 0.000 0.894 244 L HN 0.263 nan 8.230 nan 0.000 0.432 245 I N -0.204 120.285 120.570 -0.135 0.000 2.264 245 I HA -0.317 3.848 4.170 -0.009 0.000 0.248 245 I C 2.098 177.989 176.117 -0.377 0.000 1.111 245 I CA 1.530 62.654 61.300 -0.295 0.000 1.382 245 I CB -0.515 37.351 38.000 -0.223 0.000 1.060 245 I HN 0.394 nan 8.210 nan 0.000 0.418 246 N N 0.824 119.409 118.700 -0.192 0.000 2.084 246 N HA -0.179 4.555 4.740 -0.009 0.000 0.190 246 N C 1.375 176.824 175.510 -0.102 0.000 1.030 246 N CA 1.343 54.319 53.050 -0.123 0.000 0.849 246 N CB -0.104 38.341 38.487 -0.070 0.000 1.012 246 N HN 0.224 nan 8.380 nan 0.000 0.423 247 D N -0.155 120.186 120.400 -0.099 0.000 2.219 247 D HA -0.022 4.613 4.640 -0.009 0.000 0.205 247 D C 1.768 178.014 176.300 -0.091 0.000 0.970 247 D CA 0.503 54.456 54.000 -0.078 0.000 0.851 247 D CB -0.020 40.742 40.800 -0.063 0.000 0.943 247 D HN 0.370 nan 8.370 nan 0.000 0.488 248 I N -0.061 120.426 120.570 -0.138 0.000 2.333 248 I HA -0.181 3.984 4.170 -0.009 0.000 0.246 248 I C 1.911 177.972 176.117 -0.094 0.000 1.106 248 I CA 0.914 62.133 61.300 -0.136 0.000 1.411 248 I CB -0.178 37.710 38.000 -0.186 0.000 1.082 248 I HN 0.101 nan 8.210 nan 0.000 0.420 249 H N -0.716 118.242 119.070 -0.186 0.000 2.495 249 H HA 0.021 4.571 4.556 -0.010 0.000 0.287 249 H C 1.534 176.745 175.328 -0.195 0.000 1.033 249 H CA -0.121 55.780 56.048 -0.244 0.000 1.307 249 H CB 0.238 29.878 29.762 -0.203 0.000 1.401 249 H HN 0.162 nan 8.280 nan 0.000 0.555 250 S N 0.834 116.521 115.700 -0.022 0.000 2.568 250 S HA -0.032 4.433 4.470 -0.009 0.000 0.282 250 S C 1.452 176.013 174.600 -0.065 0.000 1.338 250 S CA 0.113 58.286 58.200 -0.046 0.000 1.045 250 S CB 0.732 63.905 63.200 -0.045 0.000 0.873 250 S HN 0.466 nan 8.310 nan 0.000 0.516 251 T N 1.282 115.800 114.554 -0.061 0.000 3.092 251 T HA 0.432 4.776 4.350 -0.009 0.000 0.258 251 T C 1.219 175.891 174.700 -0.047 0.000 1.031 251 T CA 0.157 62.221 62.100 -0.060 0.000 0.925 251 T CB 0.169 69.000 68.868 -0.061 0.000 1.036 251 T HN 0.601 nan 8.240 nan 0.000 0.544 252 A N 2.965 125.759 122.820 -0.044 0.000 2.072 252 A HA 0.140 4.455 4.320 -0.009 0.000 0.216 252 A C 1.814 179.376 177.584 -0.037 0.000 1.156 252 A CA 0.700 52.715 52.037 -0.038 0.000 0.701 252 A CB -0.604 18.375 19.000 -0.035 0.000 0.816 252 A HN 0.819 nan 8.150 nan 0.000 0.458 253 N N -1.745 116.930 118.700 -0.042 0.000 2.234 253 N HA 0.435 5.169 4.740 -0.009 0.000 0.227 253 N C 0.495 175.979 175.510 -0.042 0.000 1.151 253 N CA 0.278 53.304 53.050 -0.041 0.000 0.865 253 N CB 0.673 39.134 38.487 -0.043 0.000 1.066 253 N HN 0.422 nan 8.380 nan 0.000 0.515 254 G N 1.327 110.101 108.800 -0.043 0.000 2.325 254 G HA2 -0.014 3.940 3.960 -0.009 0.000 0.285 254 G HA3 -0.014 3.940 3.960 -0.009 0.000 0.285 254 G C -3.254 171.617 174.900 -0.048 0.000 1.303 254 G CA -1.019 44.055 45.100 -0.043 0.000 0.970 254 G HN 0.008 nan 8.290 nan 0.000 0.490 255 P HA 0.213 nan 4.420 nan 0.000 0.270 255 P C -0.248 177.005 177.300 -0.079 0.000 1.223 255 P CA -0.081 62.991 63.100 -0.046 0.000 0.785 255 P CB 0.763 32.450 31.700 -0.022 0.000 0.923 256 K N 0.965 121.299 120.400 -0.110 0.000 2.524 256 K HA 0.197 4.512 4.320 -0.009 0.000 0.279 256 K C 0.406 176.826 176.600 -0.300 0.000 0.993 256 K CA 0.299 56.457 56.287 -0.216 0.000 1.030 256 K CB -0.115 32.223 32.500 -0.271 0.000 0.891 256 K HN 0.682 nan 8.250 nan 0.000 0.488 257 G N 2.319 110.904 108.800 -0.358 0.000 2.597 257 G HA2 0.542 4.497 3.960 -0.009 0.000 0.317 257 G HA3 0.542 4.497 3.960 -0.009 0.000 0.317 257 G C -1.758 172.778 174.900 -0.607 0.000 1.230 257 G CA -0.628 44.276 45.100 -0.326 0.000 0.996 257 G HN 0.557 nan 8.290 nan 0.000 0.490 258 Y N -1.247 118.980 120.300 -0.122 0.000 2.524 258 Y HA 0.578 5.124 4.550 -0.007 0.000 0.347 258 Y C -0.505 175.327 175.900 -0.113 0.000 1.005 258 Y CA -0.892 57.059 58.100 -0.249 0.000 1.025 258 Y CB 2.667 40.691 38.460 -0.726 0.000 1.275 258 Y HN 0.498 nan 8.280 nan 0.000 0.460 259 L N 4.264 125.522 121.223 0.058 0.000 2.356 259 L HA 0.692 5.027 4.340 -0.009 0.000 0.277 259 L C -1.517 175.362 176.870 0.015 0.000 0.996 259 L CA -0.569 54.278 54.840 0.010 0.000 0.822 259 L CB 0.932 42.945 42.059 -0.076 0.000 1.256 259 L HN 0.568 nan 8.230 nan 0.000 0.413 260 I N 5.983 126.580 120.570 0.045 0.000 2.378 260 I HA 0.385 4.550 4.170 -0.009 0.000 0.291 260 I C -0.564 175.546 176.117 -0.013 0.000 0.992 260 I CA -0.535 60.781 61.300 0.026 0.000 1.154 260 I CB 1.540 39.600 38.000 0.100 0.000 1.315 260 I HN 0.493 nan 8.210 nan 0.000 0.448 261 L N 4.581 125.681 121.223 -0.206 0.000 2.352 261 L HA 0.441 4.776 4.340 -0.009 0.000 0.269 261 L C -0.083 176.822 176.870 0.059 0.000 1.034 261 L CA -0.758 53.944 54.840 -0.231 0.000 0.806 261 L CB 1.274 42.976 42.059 -0.595 0.000 1.244 261 L HN 0.503 nan 8.230 nan 0.000 0.447 262 D N 1.204 121.641 120.400 0.061 0.000 2.295 262 D HA 0.254 4.889 4.640 -0.009 0.000 0.248 262 D C -0.160 176.243 176.300 0.172 0.000 1.154 262 D CA -0.053 54.028 54.000 0.136 0.000 0.857 262 D CB 1.716 42.502 40.800 -0.023 0.000 1.117 262 D HN 0.625 nan 8.370 nan 0.000 0.468 263 G N 2.774 111.626 108.800 0.087 0.000 2.428 263 G HA2 0.389 4.344 3.960 -0.009 0.000 0.320 263 G HA3 0.389 4.344 3.960 -0.009 0.000 0.320 263 G C -0.124 174.148 174.900 -1.047 0.000 1.098 263 G CA -0.503 44.155 45.100 -0.737 0.000 0.984 263 G HN 0.366 nan 8.290 nan 0.000 0.444 264 V N 3.969 123.503 119.914 -0.633 0.000 2.221 264 V HA 0.201 4.315 4.120 -0.009 0.000 0.258 264 V C -0.018 176.021 176.094 -0.093 0.000 1.179 264 V CA -0.422 61.720 62.300 -0.264 0.000 1.022 264 V CB -0.521 31.291 31.823 -0.018 0.000 1.228 264 V HN 0.662 nan 8.190 nan 0.000 0.487 265 F N 0.723 120.724 119.950 0.085 0.000 2.695 265 F HA 0.212 4.734 4.527 -0.009 0.000 0.303 265 F C 1.905 177.816 175.800 0.185 0.000 1.091 265 F CA -0.416 57.651 58.000 0.111 0.000 1.300 265 F CB -0.464 38.598 39.000 0.103 0.000 1.071 265 F HN 0.446 nan 8.300 nan 0.000 0.578 266 N N 0.196 119.031 118.700 0.225 0.000 2.376 266 N HA -0.092 4.643 4.740 -0.009 0.000 0.177 266 N C -0.002 175.733 175.510 0.375 0.000 1.024 266 N CA 0.724 53.979 53.050 0.342 0.000 0.893 266 N CB 0.213 38.976 38.487 0.460 0.000 0.980 266 N HN 0.370 nan 8.380 nan 0.000 0.439 267 H N -2.245 117.044 119.070 0.365 0.000 2.981 267 H HA 0.257 4.808 4.556 -0.009 0.000 0.327 267 H C -0.994 174.536 175.328 0.337 0.000 1.342 267 H CA -0.693 55.551 56.048 0.328 0.000 1.123 267 H CB 1.096 31.035 29.762 0.295 0.000 1.851 267 H HN -0.025 nan 8.280 nan 0.000 0.531 268 T N -1.534 113.286 114.554 0.444 0.000 2.905 268 T HA 0.626 4.970 4.350 -0.009 0.000 0.283 268 T C 0.646 175.504 174.700 0.264 0.000 1.031 268 T CA -0.368 61.921 62.100 0.316 0.000 1.002 268 T CB 1.606 70.618 68.868 0.239 0.000 1.200 268 T HN 0.847 nan 8.240 nan 0.000 0.560 269 G N 0.033 108.939 108.800 0.176 0.000 2.537 269 G HA2 0.384 4.338 3.960 -0.009 0.000 0.273 269 G HA3 0.384 4.338 3.960 -0.009 0.000 0.273 269 G C 0.487 175.463 174.900 0.127 0.000 1.189 269 G CA -0.342 44.851 45.100 0.155 0.000 0.881 269 G HN 0.847 nan 8.290 nan 0.000 0.535 270 D N -1.346 119.149 120.400 0.157 0.000 2.371 270 D HA -0.121 4.514 4.640 -0.009 0.000 0.221 270 D C 1.929 178.451 176.300 0.371 0.000 0.986 270 D CA 0.944 55.021 54.000 0.129 0.000 0.899 270 D CB -0.048 40.858 40.800 0.177 0.000 0.902 270 D HN 0.309 nan 8.370 nan 0.000 0.530 271 S N -1.534 114.406 115.700 0.401 0.000 2.540 271 S HA 0.025 4.490 4.470 -0.009 0.000 0.218 271 S C 0.500 175.299 174.600 0.333 0.000 0.977 271 S CA -0.678 57.785 58.200 0.439 0.000 0.918 271 S CB -0.829 62.622 63.200 0.419 0.000 0.806 271 S HN 0.421 nan 8.310 nan 0.000 0.496 272 H N 3.569 122.710 119.070 0.117 0.000 2.848 272 H HA 0.212 4.763 4.556 -0.009 0.000 0.341 272 H C -1.357 173.868 175.328 -0.171 0.000 1.060 272 H CA -1.172 54.807 56.048 -0.116 0.000 1.444 272 H CB 1.019 30.674 29.762 -0.179 0.000 1.446 272 H HN -0.014 nan 8.280 nan 0.000 0.583 273 P HA -0.227 nan 4.420 nan 0.000 0.220 273 P C 0.818 177.979 177.300 -0.232 0.000 1.144 273 P CA 1.210 63.942 63.100 -0.613 0.000 0.800 273 P CB 0.114 31.016 31.700 -1.331 0.000 0.772 274 W N -1.434 119.795 121.300 -0.118 0.000 2.425 274 W HA -0.007 4.648 4.660 -0.009 0.000 0.277 274 W C 2.187 178.911 176.519 0.342 0.000 1.231 274 W CA 0.314 57.519 57.345 -0.233 0.000 1.248 274 W CB -1.569 27.797 29.460 -0.156 0.000 1.117 274 W HN -0.024 nan 8.180 nan 0.000 0.568 275 F N 0.417 120.550 119.950 0.305 0.000 2.480 275 F HA 0.064 4.585 4.527 -0.009 0.000 0.280 275 F C 0.597 176.502 175.800 0.175 0.000 1.002 275 F CA 1.001 59.045 58.000 0.074 0.000 1.325 275 F CB -0.348 38.501 39.000 -0.250 0.000 1.134 275 F HN -0.330 nan 8.300 nan 0.000 0.646 276 D N 1.302 121.899 120.400 0.328 0.000 2.735 276 D HA -0.270 4.364 4.640 -0.009 0.000 0.235 276 D C 1.161 177.537 176.300 0.126 0.000 1.175 276 D CA 0.775 54.947 54.000 0.286 0.000 0.683 276 D CB -0.800 40.194 40.800 0.323 0.000 1.008 276 D HN 0.468 nan 8.370 nan 0.000 0.416 277 K N -0.408 119.959 120.400 -0.056 0.000 2.147 277 K HA -0.173 4.142 4.320 -0.009 0.000 0.205 277 K C 1.118 177.375 176.600 -0.572 0.000 1.049 277 K CA 1.178 57.065 56.287 -0.666 0.000 0.936 277 K CB -0.035 31.880 32.500 -0.975 0.000 0.722 277 K HN 0.487 nan 8.250 nan 0.000 0.446 278 Y N 0.014 120.328 120.300 0.023 0.000 2.555 278 Y HA 0.189 4.734 4.550 -0.009 0.000 0.259 278 Y C -0.025 175.912 175.900 0.062 0.000 1.179 278 Y CA -0.484 57.634 58.100 0.031 0.000 1.230 278 Y CB -0.031 38.434 38.460 0.008 0.000 1.146 278 Y HN 0.122 nan 8.280 nan 0.000 0.526 279 N N 1.677 120.500 118.700 0.204 0.000 2.671 279 N HA -0.242 4.492 4.740 -0.009 0.000 0.261 279 N C -0.172 175.410 175.510 0.119 0.000 1.053 279 N CA 0.578 53.739 53.050 0.185 0.000 0.732 279 N CB -1.141 37.433 38.487 0.144 0.000 0.887 279 N HN 0.352 nan 8.380 nan 0.000 0.546 280 N N -0.275 118.481 118.700 0.093 0.000 2.336 280 N HA 0.115 4.849 4.740 -0.009 0.000 0.189 280 N C -0.620 174.517 175.510 -0.622 0.000 1.113 280 N CA 0.670 53.563 53.050 -0.262 0.000 0.858 280 N CB 0.136 38.389 38.487 -0.389 0.000 0.970 280 N HN 0.351 nan 8.380 nan 0.000 0.471 281 F N -0.639 119.351 119.950 0.066 0.000 2.588 281 F HA 0.200 4.722 4.527 -0.009 0.000 0.310 281 F C 1.544 177.398 175.800 0.090 0.000 1.082 281 F CA -1.066 56.971 58.000 0.063 0.000 0.929 281 F CB 1.286 40.319 39.000 0.055 0.000 1.254 281 F HN -0.211 nan 8.300 nan 0.000 0.455 282 S N -0.620 115.234 115.700 0.256 0.000 2.419 282 S HA -0.088 4.376 4.470 -0.009 0.000 0.233 282 S C 0.799 175.529 174.600 0.218 0.000 1.016 282 S CA 0.616 58.927 58.200 0.186 0.000 0.974 282 S CB -0.874 62.410 63.200 0.140 0.000 0.786 282 S HN 0.619 nan 8.310 nan 0.000 0.492 283 S N 1.580 117.454 115.700 0.291 0.000 2.584 283 S HA 0.222 4.687 4.470 -0.009 0.000 0.270 283 S C -0.165 174.641 174.600 0.343 0.000 1.346 283 S CA -0.735 57.660 58.200 0.326 0.000 1.018 283 S CB 0.189 63.668 63.200 0.464 0.000 0.899 283 S HN 0.368 nan 8.310 nan 0.000 0.542 284 Q N 1.305 121.299 119.800 0.324 0.000 2.360 284 Q HA 0.389 4.723 4.340 -0.009 0.000 0.254 284 Q C 0.479 176.748 176.000 0.447 0.000 0.975 284 Q CA -0.091 55.882 55.803 0.283 0.000 0.912 284 Q CB 1.267 30.085 28.738 0.134 0.000 1.212 284 Q HN 0.893 nan 8.270 nan 0.000 0.452 285 G N 0.982 110.040 108.800 0.430 0.000 2.537 285 G HA2 0.352 4.307 3.960 -0.009 0.000 0.273 285 G HA3 0.352 4.307 3.960 -0.009 0.000 0.273 285 G C 0.892 176.031 174.900 0.399 0.000 1.189 285 G CA 0.071 45.465 45.100 0.490 0.000 0.881 285 G HN 0.635 nan 8.290 nan 0.000 0.535 286 A N 0.192 123.289 122.820 0.462 0.000 1.927 286 A HA -0.209 4.106 4.320 -0.009 0.000 0.220 286 A C 2.049 179.868 177.584 0.392 0.000 1.185 286 A CA 2.162 54.513 52.037 0.523 0.000 0.639 286 A CB -0.890 18.529 19.000 0.699 0.000 0.820 286 A HN 0.859 nan 8.150 nan 0.000 0.451 287 Y N 0.663 120.829 120.300 -0.224 0.000 2.274 287 Y HA -0.155 4.390 4.550 -0.009 0.000 0.290 287 Y C 2.186 178.062 175.900 -0.039 0.000 1.145 287 Y CA 2.129 60.004 58.100 -0.376 0.000 1.203 287 Y CB -0.087 37.803 38.460 -0.951 0.000 0.984 287 Y HN 0.505 nan 8.280 nan 0.000 0.533 288 E N -0.844 119.466 120.200 0.184 0.000 2.170 288 E HA 0.002 4.347 4.350 -0.009 0.000 0.191 288 E C 0.326 177.097 176.600 0.286 0.000 0.981 288 E CA 0.808 57.320 56.400 0.187 0.000 0.830 288 E CB 0.219 30.040 29.700 0.201 0.000 0.775 288 E HN 0.124 nan 8.360 nan 0.000 0.470 289 S N -0.664 115.184 115.700 0.245 0.000 2.543 289 S HA 0.103 4.568 4.470 -0.009 0.000 0.271 289 S C -0.237 174.123 174.600 -0.400 0.000 1.148 289 S CA -0.676 57.507 58.200 -0.028 0.000 0.914 289 S CB 1.492 64.664 63.200 -0.047 0.000 1.096 289 S HN 0.013 nan 8.310 nan 0.000 0.471 290 Q N 2.037 121.223 119.800 -1.025 0.000 2.515 290 Q HA 0.082 4.417 4.340 -0.009 0.000 0.212 290 Q C 0.825 176.235 176.000 -0.983 0.000 0.970 290 Q CA 0.551 55.386 55.803 -1.612 0.000 0.941 290 Q CB 0.071 27.763 28.738 -1.743 0.000 0.998 290 Q HN 0.563 nan 8.270 nan 0.000 0.518 291 S N 0.120 115.499 115.700 -0.536 0.000 2.540 291 S HA 0.033 4.497 4.470 -0.009 0.000 0.218 291 S C 0.552 175.018 174.600 -0.224 0.000 0.977 291 S CA -0.273 57.730 58.200 -0.329 0.000 0.918 291 S CB 0.482 63.533 63.200 -0.249 0.000 0.806 291 S HN 0.239 nan 8.310 nan 0.000 0.496 292 S N 3.383 118.985 115.700 -0.164 0.000 2.558 292 S HA 0.053 4.518 4.470 -0.009 0.000 0.291 292 S C -1.242 173.239 174.600 -0.198 0.000 1.306 292 S CA -0.988 57.162 58.200 -0.084 0.000 1.056 292 S CB 0.709 64.008 63.200 0.165 0.000 0.836 292 S HN 0.172 nan 8.310 nan 0.000 0.504 293 P HA -0.004 nan 4.420 nan 0.000 0.230 293 P C 0.376 177.238 177.300 -0.731 0.000 1.158 293 P CA 1.015 63.696 63.100 -0.698 0.000 0.769 293 P CB 0.038 31.120 31.700 -1.030 0.000 0.807 294 W N -2.438 118.755 121.300 -0.179 0.000 2.991 294 W HA 0.202 4.857 4.660 -0.008 0.000 0.391 294 W C 1.526 178.033 176.519 -0.019 0.000 1.054 294 W CA -0.719 56.316 57.345 -0.517 0.000 1.856 294 W CB -1.083 27.971 29.460 -0.678 0.000 1.132 294 W HN -0.053 nan 8.180 nan 0.000 0.601 295 Y N 2.926 123.322 120.300 0.159 0.000 2.114 295 Y HA -0.266 4.279 4.550 -0.009 0.000 0.282 295 Y C 1.774 177.895 175.900 0.368 0.000 1.165 295 Y CA 1.996 60.261 58.100 0.276 0.000 1.148 295 Y CB -0.510 37.991 38.460 0.069 0.000 0.972 295 Y HN -0.202 nan 8.280 nan 0.000 0.504 296 N N -0.723 118.107 118.700 0.216 0.000 2.515 296 N HA -0.106 4.629 4.740 -0.009 0.000 0.191 296 N C 0.899 176.490 175.510 0.135 0.000 1.182 296 N CA 0.564 53.681 53.050 0.111 0.000 0.879 296 N CB -0.412 38.150 38.487 0.125 0.000 0.984 296 N HN 0.573 nan 8.380 nan 0.000 0.453 297 Y N -0.838 119.399 120.300 -0.105 0.000 2.544 297 Y HA -0.023 4.522 4.550 -0.009 0.000 0.286 297 Y C 0.201 175.731 175.900 -0.617 0.000 1.141 297 Y CA 0.225 58.074 58.100 -0.417 0.000 1.299 297 Y CB 0.302 38.416 38.460 -0.576 0.000 1.030 297 Y HN -0.009 nan 8.280 nan 0.000 0.543 298 Y N -1.508 118.851 120.300 0.100 0.000 2.693 298 Y HA 0.444 4.988 4.550 -0.009 0.000 0.331 298 Y C -0.079 175.701 175.900 -0.201 0.000 1.092 298 Y CA -1.463 56.605 58.100 -0.055 0.000 1.131 298 Y CB 1.387 39.804 38.460 -0.070 0.000 1.318 298 Y HN -0.464 nan 8.280 nan 0.000 0.510 299 T N 1.996 116.468 114.554 -0.136 0.000 2.847 299 T HA 0.502 4.847 4.350 -0.009 0.000 0.291 299 T C -1.361 173.090 174.700 -0.416 0.000 0.998 299 T CA -0.588 61.386 62.100 -0.210 0.000 0.967 299 T CB -0.101 68.671 68.868 -0.160 0.000 0.954 299 T HN 0.222 nan 8.240 nan 0.000 0.441 300 F N 2.020 121.941 119.950 -0.050 0.000 2.436 300 F HA 0.437 4.959 4.527 -0.009 0.000 0.340 300 F C 0.576 176.354 175.800 -0.037 0.000 1.113 300 F CA -0.877 57.159 58.000 0.059 0.000 1.022 300 F CB 1.056 40.252 39.000 0.327 0.000 1.128 300 F HN 0.579 nan 8.300 nan 0.000 0.466 301 Y N 0.140 120.680 120.300 0.401 0.000 2.301 301 Y HA 0.105 4.650 4.550 -0.009 0.000 0.295 301 Y C 1.036 177.104 175.900 0.279 0.000 1.119 301 Y CA 0.352 58.612 58.100 0.268 0.000 1.162 301 Y CB 0.011 38.578 38.460 0.179 0.000 1.046 301 Y HN 0.311 nan 8.280 nan 0.000 0.538 302 T N 0.186 115.015 114.554 0.458 0.000 3.103 302 T HA 0.084 4.429 4.350 -0.009 0.000 0.352 302 T C -1.357 173.562 174.700 0.364 0.000 1.048 302 T CA -0.580 61.727 62.100 0.345 0.000 1.175 302 T CB -0.062 68.950 68.868 0.240 0.000 1.029 302 T HN 0.181 nan 8.240 nan 0.000 0.498 303 W N 6.852 128.256 121.300 0.174 0.000 2.295 303 W HA 0.288 4.943 4.660 -0.009 0.000 0.335 303 W C -1.552 174.917 176.519 -0.083 0.000 1.351 303 W CA -1.040 56.273 57.345 -0.054 0.000 1.273 303 W CB 0.928 30.238 29.460 -0.250 0.000 1.214 303 W HN 0.380 nan 8.180 nan 0.000 0.563 304 P HA 0.057 nan 4.420 nan 0.000 0.281 304 P C 0.523 177.817 177.300 -0.011 0.000 1.291 304 P CA 0.423 62.806 63.100 -1.194 0.000 0.906 304 P CB 0.820 31.107 31.700 -2.355 0.000 1.388 305 D N 0.483 120.903 120.400 0.033 0.000 2.144 305 D HA -0.053 4.582 4.640 -0.009 0.000 0.200 305 D C 0.769 177.234 176.300 0.275 0.000 0.978 305 D CA 1.239 55.388 54.000 0.248 0.000 0.833 305 D CB -0.203 40.654 40.800 0.094 0.000 0.961 305 D HN 0.130 nan 8.370 nan 0.000 0.470 306 S N -0.327 115.552 115.700 0.298 0.000 2.438 306 S HA 0.457 4.922 4.470 -0.009 0.000 0.316 306 S C -1.164 173.662 174.600 0.376 0.000 1.084 306 S CA -0.792 57.535 58.200 0.212 0.000 1.107 306 S CB -0.108 63.241 63.200 0.247 0.000 0.981 306 S HN 0.163 nan 8.310 nan 0.000 0.466 307 Y N 1.418 121.891 120.300 0.289 0.000 2.625 307 Y HA 0.795 5.340 4.550 -0.009 0.000 0.338 307 Y C -0.310 175.632 175.900 0.071 0.000 1.123 307 Y CA -1.607 56.502 58.100 0.015 0.000 1.046 307 Y CB 0.477 38.842 38.460 -0.160 0.000 1.299 307 Y HN 0.593 nan 8.280 nan 0.000 0.464 308 A N 1.792 124.666 122.820 0.089 0.000 2.498 308 A HA 0.601 4.916 4.320 -0.009 0.000 0.239 308 A C 0.206 177.958 177.584 0.281 0.000 1.068 308 A CA 0.679 52.855 52.037 0.231 0.000 0.766 308 A CB -0.588 18.494 19.000 0.137 0.000 1.003 308 A HN 1.417 nan 8.150 nan 0.000 0.497 309 S N 1.160 116.995 115.700 0.225 0.000 2.688 309 S HA 0.625 5.090 4.470 -0.009 0.000 0.275 309 S C -0.662 174.029 174.600 0.152 0.000 1.175 309 S CA -0.664 57.671 58.200 0.225 0.000 0.818 309 S CB 0.524 63.850 63.200 0.210 0.000 1.157 309 S HN 1.202 nan 8.310 nan 0.000 0.482 310 F N 2.880 122.827 119.950 -0.006 0.000 2.471 310 F HA 0.472 4.994 4.527 -0.008 0.000 0.365 310 F C 0.914 176.724 175.800 0.016 0.000 1.095 310 F CA -0.540 57.392 58.000 -0.114 0.000 1.174 310 F CB -0.379 38.370 39.000 -0.420 0.000 1.105 310 F HN 0.632 nan 8.300 nan 0.000 0.535 311 L N 6.664 127.424 121.223 -0.773 0.000 3.851 311 L HA -0.328 4.007 4.340 -0.009 0.000 0.438 311 L C 1.249 177.925 176.870 -0.322 0.000 1.171 311 L CA 0.821 55.308 54.840 -0.588 0.000 0.895 311 L CB -2.043 39.562 42.059 -0.757 0.000 1.800 311 L HN 1.182 nan 8.230 nan 0.000 0.960 312 G N -1.830 106.848 108.800 -0.202 0.000 2.162 312 G HA2 -0.340 3.615 3.960 -0.009 0.000 0.260 312 G HA3 -0.340 3.615 3.960 -0.009 0.000 0.260 312 G C 0.022 174.791 174.900 -0.218 0.000 0.976 312 G CA 0.171 45.144 45.100 -0.212 0.000 0.655 312 G HN 0.323 nan 8.290 nan 0.000 0.533 313 F N 1.680 121.620 119.950 -0.017 0.000 2.434 313 F HA 0.329 4.851 4.527 -0.008 0.000 0.358 313 F C 1.525 177.377 175.800 0.086 0.000 1.136 313 F CA -0.123 57.912 58.000 0.059 0.000 1.157 313 F CB 0.380 39.455 39.000 0.125 0.000 1.167 313 F HN 0.095 nan 8.300 nan 0.000 0.539 314 N N 0.774 119.595 118.700 0.202 0.000 2.348 314 N HA -0.183 4.552 4.740 -0.009 0.000 0.185 314 N C 1.756 177.478 175.510 0.353 0.000 1.019 314 N CA 1.033 54.209 53.050 0.210 0.000 0.880 314 N CB 0.062 38.627 38.487 0.129 0.000 0.965 314 N HN 0.530 nan 8.380 nan 0.000 0.437 315 S N 0.054 115.966 115.700 0.353 0.000 2.607 315 S HA 0.061 4.526 4.470 -0.009 0.000 0.224 315 S C 0.681 175.426 174.600 0.242 0.000 0.969 315 S CA 0.279 58.687 58.200 0.346 0.000 0.927 315 S CB -0.009 63.444 63.200 0.421 0.000 0.772 315 S HN 0.186 nan 8.310 nan 0.000 0.533 316 L N 2.731 124.089 121.223 0.225 0.000 2.637 316 L HA 0.411 4.746 4.340 -0.009 0.000 0.241 316 L C -2.745 174.222 176.870 0.163 0.000 1.398 316 L CA -2.113 52.813 54.840 0.143 0.000 0.895 316 L CB 1.103 43.140 42.059 -0.037 0.000 1.183 316 L HN -0.018 nan 8.230 nan 0.000 0.497 317 P HA -0.054 nan 4.420 nan 0.000 0.263 317 P C -0.505 176.967 177.300 0.286 0.000 1.195 317 P CA 0.059 63.116 63.100 -0.072 0.000 0.762 317 P CB 0.934 31.907 31.700 -1.211 0.000 0.799 318 K N 3.527 124.129 120.400 0.337 0.000 2.322 318 K HA 0.158 4.473 4.320 -0.009 0.000 0.283 318 K C -0.151 176.621 176.600 0.286 0.000 1.042 318 K CA -0.679 55.826 56.287 0.363 0.000 0.958 318 K CB 0.183 32.866 32.500 0.304 0.000 0.984 318 K HN 0.295 nan 8.250 nan 0.000 0.473 319 L N 3.983 125.340 121.223 0.223 0.000 2.410 319 L HA 0.073 4.408 4.340 -0.009 0.000 0.273 319 L C 0.088 176.959 176.870 0.001 0.000 1.152 319 L CA 0.290 55.104 54.840 -0.043 0.000 0.855 319 L CB 0.437 42.451 42.059 -0.076 0.000 1.129 319 L HN 0.615 nan 8.230 nan 0.000 0.463 320 N N 2.437 121.036 118.700 -0.168 0.000 2.437 320 N HA 0.052 4.787 4.740 -0.009 0.000 0.243 320 N C 0.303 175.708 175.510 -0.176 0.000 1.041 320 N CA 0.116 53.123 53.050 -0.073 0.000 0.940 320 N CB 0.245 38.684 38.487 -0.079 0.000 1.133 320 N HN 0.431 nan 8.380 nan 0.000 0.506 321 Y N 3.018 123.241 120.300 -0.127 0.000 2.561 321 Y HA 0.113 4.657 4.550 -0.009 0.000 0.291 321 Y C 1.982 177.803 175.900 -0.132 0.000 1.141 321 Y CA 0.743 58.751 58.100 -0.153 0.000 1.303 321 Y CB -0.179 38.213 38.460 -0.113 0.000 1.015 321 Y HN 0.799 nan 8.280 nan 0.000 0.547 322 G N 0.946 109.759 108.800 0.022 0.000 2.581 322 G HA2 -0.359 3.596 3.960 -0.009 0.000 0.291 322 G HA3 -0.359 3.596 3.960 -0.009 0.000 0.291 322 G C -0.224 174.688 174.900 0.021 0.000 1.277 322 G CA 0.286 45.385 45.100 -0.002 0.000 0.959 322 G HN 0.464 nan 8.290 nan 0.000 0.554 323 N N -0.336 118.364 118.700 0.000 0.000 2.485 323 N HA 0.514 5.249 4.740 -0.009 0.000 0.280 323 N C 0.023 175.535 175.510 0.003 0.000 1.205 323 N CA -0.381 52.675 53.050 0.010 0.000 0.959 323 N CB 1.004 39.495 38.487 0.005 0.000 1.206 323 N HN 0.578 nan 8.380 nan 0.000 0.545 324 S N -0.161 115.549 115.700 0.017 0.000 2.573 324 S HA 0.146 4.611 4.470 -0.009 0.000 0.297 324 S C 1.295 175.885 174.600 -0.016 0.000 1.280 324 S CA 0.866 59.077 58.200 0.020 0.000 1.061 324 S CB 0.267 63.485 63.200 0.031 0.000 0.812 324 S HN 0.924 nan 8.310 nan 0.000 0.500 325 G N 1.956 110.730 108.800 -0.042 0.000 2.179 325 G HA2 -0.308 3.647 3.960 -0.009 0.000 0.260 325 G HA3 -0.308 3.647 3.960 -0.009 0.000 0.260 325 G C 0.275 175.110 174.900 -0.109 0.000 0.977 325 G CA 0.255 45.312 45.100 -0.071 0.000 0.641 325 G HN 1.264 nan 8.290 nan 0.000 0.533 326 S N -0.110 115.512 115.700 -0.130 0.000 2.580 326 S HA 0.642 5.107 4.470 -0.009 0.000 0.266 326 S C 1.850 176.296 174.600 -0.257 0.000 1.354 326 S CA 0.563 58.659 58.200 -0.173 0.000 1.008 326 S CB 1.536 64.624 63.200 -0.186 0.000 0.898 326 S HN 1.729 nan 8.310 nan 0.000 0.555 327 A N 1.327 123.983 122.820 -0.274 0.000 1.933 327 A HA 0.026 4.341 4.320 -0.009 0.000 0.218 327 A C 2.170 179.400 177.584 -0.588 0.000 1.175 327 A CA 1.507 53.351 52.037 -0.322 0.000 0.628 327 A CB -1.215 17.674 19.000 -0.186 0.000 0.814 327 A HN 0.790 nan 8.150 nan 0.000 0.444 328 V N 0.024 119.457 119.914 -0.802 0.000 2.358 328 V HA -0.241 3.874 4.120 -0.009 0.000 0.246 328 V C 2.594 178.199 176.094 -0.815 0.000 1.047 328 V CA 2.138 63.821 62.300 -1.029 0.000 1.035 328 V CB -0.777 30.374 31.823 -1.120 0.000 0.658 328 V HN 0.530 nan 8.190 nan 0.000 0.452 329 R N 0.121 120.243 120.500 -0.630 0.000 2.120 329 R HA -0.084 4.251 4.340 -0.009 0.000 0.234 329 R C 2.414 178.219 176.300 -0.826 0.000 1.123 329 R CA 1.292 56.986 56.100 -0.678 0.000 0.975 329 R CB -0.689 29.350 30.300 -0.435 0.000 0.866 329 R HN 0.597 nan 8.270 nan 0.000 0.446 330 G N 0.830 109.302 108.800 -0.546 0.000 2.404 330 G HA2 -0.214 3.740 3.960 -0.009 0.000 0.215 330 G HA3 -0.214 3.740 3.960 -0.009 0.000 0.215 330 G C 1.482 176.175 174.900 -0.346 0.000 1.174 330 G CA 1.017 45.877 45.100 -0.401 0.000 0.780 330 G HN 0.305 nan 8.290 nan 0.000 0.537 331 V N -1.207 118.496 119.914 -0.352 0.000 2.809 331 V HA 0.060 4.175 4.120 -0.009 0.000 0.256 331 V C 2.374 178.307 176.094 -0.268 0.000 1.080 331 V CA 0.793 62.959 62.300 -0.224 0.000 1.102 331 V CB -0.351 31.380 31.823 -0.153 0.000 0.705 331 V HN 0.210 nan 8.190 nan 0.000 0.475 332 I N 0.529 120.854 120.570 -0.408 0.000 2.429 332 I HA 0.063 4.228 4.170 -0.009 0.000 0.247 332 I C 2.355 178.289 176.117 -0.304 0.000 1.099 332 I CA 2.283 63.314 61.300 -0.448 0.000 1.422 332 I CB -0.680 37.100 38.000 -0.366 0.000 1.112 332 I HN 0.670 nan 8.210 nan 0.000 0.430 333 Y N -2.276 117.893 120.300 -0.218 0.000 2.450 333 Y HA 0.380 4.924 4.550 -0.009 0.000 0.279 333 Y C 1.688 177.523 175.900 -0.107 0.000 1.106 333 Y CA -0.397 57.613 58.100 -0.151 0.000 1.143 333 Y CB -0.840 37.598 38.460 -0.037 0.000 1.328 333 Y HN -0.158 nan 8.280 nan 0.000 0.553 334 N N 1.330 119.794 118.700 -0.393 0.000 2.171 334 N HA -0.058 4.677 4.740 -0.009 0.000 0.184 334 N C -0.313 175.137 175.510 -0.101 0.000 1.021 334 N CA 0.907 53.849 53.050 -0.179 0.000 0.854 334 N CB -0.430 37.895 38.487 -0.270 0.000 0.994 334 N HN 0.326 nan 8.380 nan 0.000 0.426 335 N N 0.403 119.023 118.700 -0.133 0.000 2.479 335 N HA -0.043 4.691 4.740 -0.009 0.000 0.257 335 N C 1.086 176.576 175.510 -0.032 0.000 1.232 335 N CA 0.134 53.140 53.050 -0.073 0.000 0.920 335 N CB 0.951 39.393 38.487 -0.075 0.000 1.105 335 N HN -0.006 nan 8.380 nan 0.000 0.444 336 S N 1.181 116.875 115.700 -0.011 0.000 2.399 336 S HA -0.154 4.311 4.470 -0.009 0.000 0.231 336 S C 1.047 175.653 174.600 0.009 0.000 1.022 336 S CA 1.160 59.365 58.200 0.009 0.000 0.983 336 S CB -0.224 62.984 63.200 0.013 0.000 0.803 336 S HN 0.715 nan 8.310 nan 0.000 0.480 337 N N 1.333 120.033 118.700 -0.000 0.000 2.295 337 N HA 0.075 4.810 4.740 -0.009 0.000 0.221 337 N C 0.179 175.683 175.510 -0.011 0.000 1.129 337 N CA 0.306 53.355 53.050 -0.001 0.000 0.836 337 N CB -0.394 38.101 38.487 0.012 0.000 1.040 337 N HN 0.413 nan 8.380 nan 0.000 0.494 338 S N -1.033 114.652 115.700 -0.025 0.000 2.617 338 S HA 0.201 4.666 4.470 -0.009 0.000 0.259 338 S C 1.530 176.114 174.600 -0.026 0.000 1.301 338 S CA -0.530 57.636 58.200 -0.056 0.000 0.984 338 S CB 0.784 63.921 63.200 -0.104 0.000 0.954 338 S HN -0.101 nan 8.310 nan 0.000 0.572 339 V N 1.483 121.354 119.914 -0.073 0.000 2.261 339 V HA -0.153 3.962 4.120 -0.009 0.000 0.246 339 V C 3.028 179.280 176.094 0.263 0.000 1.047 339 V CA 2.301 64.634 62.300 0.055 0.000 1.015 339 V CB -1.955 29.782 31.823 -0.143 0.000 0.642 339 V HN 1.010 nan 8.190 nan 0.000 0.446 340 A N -0.125 122.695 122.820 0.002 0.000 1.877 340 A HA -0.241 4.074 4.320 -0.009 0.000 0.216 340 A C 2.312 180.159 177.584 0.440 0.000 1.186 340 A CA 2.120 54.271 52.037 0.190 0.000 0.620 340 A CB -0.435 18.506 19.000 -0.098 0.000 0.822 340 A HN 0.560 nan 8.150 nan 0.000 0.443 341 K N -1.168 119.355 120.400 0.205 0.000 2.167 341 K HA -0.027 4.287 4.320 -0.009 0.000 0.203 341 K C 2.079 178.775 176.600 0.159 0.000 1.052 341 K CA 1.303 57.696 56.287 0.177 0.000 0.956 341 K CB -0.300 32.252 32.500 0.086 0.000 0.735 341 K HN 0.437 nan 8.250 nan 0.000 0.451 342 T N 0.757 115.359 114.554 0.080 0.000 2.635 342 T HA -0.179 4.166 4.350 -0.009 0.000 0.267 342 T C 1.556 176.186 174.700 -0.117 0.000 1.040 342 T CA 1.560 63.603 62.100 -0.094 0.000 1.156 342 T CB -0.354 68.300 68.868 -0.356 0.000 0.863 342 T HN 0.249 nan 8.240 nan 0.000 0.430 343 Y N 0.554 120.971 120.300 0.195 0.000 2.516 343 Y HA 0.208 4.753 4.550 -0.009 0.000 0.291 343 Y C 2.058 178.087 175.900 0.214 0.000 1.131 343 Y CA 0.270 58.448 58.100 0.130 0.000 1.281 343 Y CB -0.304 38.220 38.460 0.106 0.000 1.013 343 Y HN 0.148 nan 8.280 nan 0.000 0.554 344 L N -0.596 120.839 121.223 0.354 0.000 2.270 344 L HA -0.014 4.321 4.340 -0.009 0.000 0.210 344 L C 0.324 177.322 176.870 0.213 0.000 1.104 344 L CA 0.472 55.474 54.840 0.270 0.000 0.804 344 L CB -0.276 41.958 42.059 0.292 0.000 0.937 344 L HN 0.151 nan 8.230 nan 0.000 0.450 345 N N 0.127 118.948 118.700 0.201 0.000 2.495 345 N HA 0.226 4.961 4.740 -0.009 0.000 0.280 345 N C -2.404 173.204 175.510 0.162 0.000 1.168 345 N CA -1.565 51.575 53.050 0.151 0.000 0.978 345 N CB 0.961 39.517 38.487 0.115 0.000 1.191 345 N HN -0.151 nan 8.380 nan 0.000 0.497 346 P HA 0.046 nan 4.420 nan 0.000 0.272 346 P C -2.258 175.041 177.300 -0.002 0.000 1.230 346 P CA -0.815 62.310 63.100 0.041 0.000 0.788 346 P CB 0.165 31.874 31.700 0.016 0.000 0.949 347 P HA 0.059 nan 4.420 nan 0.000 0.255 347 P C 0.235 177.331 177.300 -0.341 0.000 1.427 347 P CA 0.508 63.457 63.100 -0.253 0.000 0.863 347 P CB -0.161 31.348 31.700 -0.318 0.000 1.444 348 Y N 0.076 120.411 120.300 0.059 0.000 2.351 348 Y HA 0.076 4.621 4.550 -0.008 0.000 0.291 348 Y C 1.575 177.532 175.900 0.096 0.000 1.153 348 Y CA 0.423 58.581 58.100 0.096 0.000 1.193 348 Y CB -0.599 37.969 38.460 0.181 0.000 1.187 348 Y HN -0.214 nan 8.280 nan 0.000 0.524 349 S N 0.549 116.421 115.700 0.287 0.000 3.628 349 S HA -0.132 4.333 4.470 -0.009 0.000 0.373 349 S C 0.049 174.794 174.600 0.242 0.000 0.968 349 S CA 0.091 58.426 58.200 0.226 0.000 1.215 349 S CB -2.424 60.888 63.200 0.186 0.000 0.912 349 S HN 0.396 nan 8.310 nan 0.000 0.495 350 V N -1.067 118.963 119.914 0.194 0.000 3.441 350 V HA 0.329 4.444 4.120 -0.009 0.000 0.300 350 V C 1.073 177.226 176.094 0.098 0.000 1.091 350 V CA 0.082 62.437 62.300 0.093 0.000 1.099 350 V CB 0.738 32.525 31.823 -0.061 0.000 1.138 350 V HN 0.407 nan 8.190 nan 0.000 0.471 351 D N 0.681 121.125 120.400 0.074 0.000 2.398 351 D HA 0.413 5.048 4.640 -0.009 0.000 0.210 351 D C 0.577 177.022 176.300 0.242 0.000 1.094 351 D CA 1.104 55.181 54.000 0.128 0.000 0.839 351 D CB 1.147 41.934 40.800 -0.022 0.000 0.963 351 D HN 1.027 nan 8.370 nan 0.000 0.506 352 G N 0.347 109.187 108.800 0.067 0.000 2.328 352 G HA2 0.334 4.289 3.960 -0.009 0.000 0.295 352 G HA3 0.334 4.289 3.960 -0.009 0.000 0.295 352 G C -2.327 172.514 174.900 -0.098 0.000 1.413 352 G CA -1.039 44.127 45.100 0.109 0.000 0.817 352 G HN 0.036 nan 8.290 nan 0.000 0.546 353 W N 0.387 121.792 121.300 0.176 0.000 2.839 353 W HA 0.692 5.348 4.660 -0.007 0.000 0.334 353 W C 0.146 176.629 176.519 -0.061 0.000 1.064 353 W CA -0.950 56.479 57.345 0.141 0.000 1.236 353 W CB 2.165 31.841 29.460 0.360 0.000 1.405 353 W HN 0.453 nan 8.180 nan 0.000 0.478 354 R N 4.430 124.997 120.500 0.112 0.000 2.229 354 R HA 0.393 4.728 4.340 -0.009 0.000 0.332 354 R C -1.062 175.128 176.300 -0.183 0.000 0.989 354 R CA -0.448 55.528 56.100 -0.207 0.000 0.842 354 R CB 0.479 30.498 30.300 -0.467 0.000 1.119 354 R HN 0.751 nan 8.270 nan 0.000 0.456 355 L N 4.674 125.648 121.223 -0.415 0.000 2.363 355 L HA 0.198 4.533 4.340 -0.009 0.000 0.286 355 L C 0.582 177.246 176.870 -0.344 0.000 1.106 355 L CA -0.542 54.001 54.840 -0.495 0.000 0.859 355 L CB -0.014 41.446 42.059 -0.998 0.000 1.223 355 L HN 0.535 nan 8.230 nan 0.000 0.446 356 N N 3.089 121.685 118.700 -0.174 0.000 2.492 356 N HA 0.207 4.942 4.740 -0.009 0.000 0.262 356 N C 0.852 176.405 175.510 0.072 0.000 1.202 356 N CA 0.758 53.803 53.050 -0.008 0.000 0.926 356 N CB 0.821 39.372 38.487 0.107 0.000 1.078 356 N HN 0.734 nan 8.380 nan 0.000 0.454 357 A N 2.154 125.081 122.820 0.178 0.000 2.665 357 A HA -0.230 4.085 4.320 -0.009 0.000 0.301 357 A C 1.654 179.480 177.584 0.403 0.000 1.509 357 A CA 1.308 53.614 52.037 0.449 0.000 0.789 357 A CB -2.157 17.238 19.000 0.659 0.000 1.024 357 A HN 0.997 nan 8.150 nan 0.000 0.460 358 A N -0.265 122.649 122.820 0.156 0.000 1.978 358 A HA -0.190 4.125 4.320 -0.009 0.000 0.220 358 A C 2.062 179.859 177.584 0.355 0.000 1.170 358 A CA 1.967 54.132 52.037 0.213 0.000 0.636 358 A CB -0.477 18.264 19.000 -0.432 0.000 0.810 358 A HN 1.299 nan 8.150 nan 0.000 0.448 359 Q N -1.826 118.005 119.800 0.053 0.000 2.224 359 Q HA -0.183 4.151 4.340 -0.009 0.000 0.203 359 Q C 1.571 177.598 176.000 0.045 0.000 0.970 359 Q CA 1.783 57.575 55.803 -0.018 0.000 0.865 359 Q CB -0.572 28.084 28.738 -0.136 0.000 0.922 359 Q HN 0.767 nan 8.270 nan 0.000 0.445 360 Y N 0.871 121.380 120.300 0.348 0.000 2.475 360 Y HA 0.148 4.693 4.550 -0.009 0.000 0.289 360 Y C 0.962 176.996 175.900 0.224 0.000 1.121 360 Y CA -0.507 57.770 58.100 0.294 0.000 1.257 360 Y CB 0.469 39.131 38.460 0.336 0.000 1.026 360 Y HN -0.138 nan 8.280 nan 0.000 0.555 361 V N 2.711 122.807 119.914 0.303 0.000 2.625 361 V HA -0.111 4.004 4.120 -0.009 0.000 0.305 361 V C 0.024 176.056 176.094 -0.102 0.000 1.055 361 V CA 0.884 63.176 62.300 -0.013 0.000 1.209 361 V CB 0.037 31.625 31.823 -0.392 0.000 0.877 361 V HN 0.336 nan 8.190 nan 0.000 0.489 362 D N 2.161 122.525 120.400 -0.060 0.000 2.792 362 D HA 0.654 5.289 4.640 -0.009 0.000 0.335 362 D C -0.827 175.544 176.300 0.117 0.000 1.353 362 D CA 0.158 54.162 54.000 0.006 0.000 0.839 362 D CB 1.957 42.817 40.800 0.100 0.000 1.396 362 D HN 0.671 nan 8.370 nan 0.000 0.479 363 A N 0.079 122.961 122.820 0.104 0.000 2.311 363 A HA 0.680 4.995 4.320 -0.009 0.000 0.334 363 A C 0.213 177.859 177.584 0.102 0.000 1.139 363 A CA 0.122 52.227 52.037 0.113 0.000 0.830 363 A CB 0.409 19.457 19.000 0.081 0.000 1.234 363 A HN 0.759 nan 8.150 nan 0.000 0.483 364 N N -0.330 118.420 118.700 0.083 0.000 2.708 364 N HA -0.242 4.492 4.740 -0.009 0.000 0.251 364 N C 0.852 176.429 175.510 0.111 0.000 1.123 364 N CA 1.482 54.582 53.050 0.083 0.000 0.739 364 N CB -0.997 37.542 38.487 0.087 0.000 1.113 364 N HN 2.053 nan 8.380 nan 0.000 0.561 365 G N -1.607 107.267 108.800 0.124 0.000 2.176 365 G HA2 -0.338 3.617 3.960 -0.009 0.000 0.253 365 G HA3 -0.338 3.617 3.960 -0.009 0.000 0.253 365 G C 0.149 175.178 174.900 0.215 0.000 0.979 365 G CA 0.231 45.433 45.100 0.169 0.000 0.641 365 G HN 0.449 nan 8.290 nan 0.000 0.530 366 N N 0.125 118.933 118.700 0.181 0.000 2.371 366 N HA 0.088 4.823 4.740 -0.009 0.000 0.243 366 N C 0.871 176.503 175.510 0.203 0.000 1.287 366 N CA 0.092 53.247 53.050 0.174 0.000 0.911 366 N CB 0.050 38.619 38.487 0.137 0.000 1.142 366 N HN 0.361 nan 8.380 nan 0.000 0.451 367 N N -0.204 118.622 118.700 0.210 0.000 2.370 367 N HA 0.046 4.781 4.740 -0.009 0.000 0.198 367 N C 0.827 176.528 175.510 0.319 0.000 1.156 367 N CA -0.007 53.222 53.050 0.298 0.000 0.839 367 N CB 0.196 38.855 38.487 0.286 0.000 0.989 367 N HN 0.688 nan 8.380 nan 0.000 0.468 368 G N 0.203 109.134 108.800 0.219 0.000 2.593 368 G HA2 -0.298 3.657 3.960 -0.009 0.000 0.237 368 G HA3 -0.298 3.657 3.960 -0.009 0.000 0.237 368 G C 0.084 175.080 174.900 0.159 0.000 1.312 368 G CA -0.246 44.961 45.100 0.178 0.000 0.896 368 G HN 0.216 nan 8.290 nan 0.000 0.574 369 S N 0.130 115.944 115.700 0.190 0.000 3.549 369 S HA -0.117 4.348 4.470 -0.009 0.000 0.366 369 S C 0.149 174.798 174.600 0.082 0.000 1.012 369 S CA 2.917 61.234 58.200 0.194 0.000 1.141 369 S CB -1.583 61.779 63.200 0.270 0.000 0.910 369 S HN 1.843 nan 8.310 nan 0.000 0.471 370 D N -2.475 117.943 120.400 0.030 0.000 2.744 370 D HA 0.582 5.217 4.640 -0.009 0.000 0.304 370 D C 1.027 177.378 176.300 0.085 0.000 1.179 370 D CA -0.673 53.363 54.000 0.059 0.000 1.024 370 D CB 0.136 40.970 40.800 0.057 0.000 1.453 370 D HN -0.079 nan 8.370 nan 0.000 0.529 371 V N -0.056 119.902 119.914 0.073 0.000 2.282 371 V HA -0.255 3.860 4.120 -0.009 0.000 0.249 371 V C 2.241 178.365 176.094 0.049 0.000 1.057 371 V CA 2.756 65.097 62.300 0.069 0.000 1.032 371 V CB -0.985 30.856 31.823 0.030 0.000 0.645 371 V HN 0.743 nan 8.190 nan 0.000 0.447 372 T N 0.076 114.644 114.554 0.023 0.000 2.708 372 T HA -0.223 4.122 4.350 -0.009 0.000 0.266 372 T C 1.936 176.604 174.700 -0.055 0.000 1.037 372 T CA 1.698 63.798 62.100 -0.001 0.000 1.146 372 T CB -0.523 68.350 68.868 0.009 0.000 0.865 372 T HN 0.579 nan 8.240 nan 0.000 0.435 373 N N 0.836 119.490 118.700 -0.077 0.000 2.069 373 N HA -0.196 4.539 4.740 -0.009 0.000 0.191 373 N C 1.691 177.116 175.510 -0.142 0.000 1.031 373 N CA 1.717 54.678 53.050 -0.149 0.000 0.852 373 N CB -0.271 38.177 38.487 -0.066 0.000 1.018 373 N HN 0.568 nan 8.380 nan 0.000 0.423 374 H N 0.178 119.271 119.070 0.038 0.000 2.423 374 H HA -0.027 4.524 4.556 -0.009 0.000 0.297 374 H C 2.250 177.590 175.328 0.020 0.000 1.075 374 H CA 1.431 57.492 56.048 0.022 0.000 1.342 374 H CB 0.017 29.685 29.762 -0.156 0.000 1.395 374 H HN 0.402 nan 8.280 nan 0.000 0.530 375 Q N 0.896 120.742 119.800 0.077 0.000 2.079 375 Q HA -0.145 4.190 4.340 -0.009 0.000 0.200 375 Q C 2.062 178.074 176.000 0.019 0.000 0.974 375 Q CA 1.438 57.270 55.803 0.048 0.000 0.840 375 Q CB -0.005 28.751 28.738 0.031 0.000 0.898 375 Q HN 0.521 nan 8.270 nan 0.000 0.430 376 I N -0.503 120.013 120.570 -0.089 0.000 2.179 376 I HA -0.278 3.887 4.170 -0.009 0.000 0.242 376 I C 1.770 177.725 176.117 -0.270 0.000 1.088 376 I CA 1.434 62.594 61.300 -0.232 0.000 1.357 376 I CB -0.339 37.335 38.000 -0.544 0.000 1.051 376 I HN 0.347 nan 8.210 nan 0.000 0.409 377 W N 0.294 121.607 121.300 0.022 0.000 2.519 377 W HA -0.116 4.539 4.660 -0.009 0.000 0.266 377 W C 2.748 179.355 176.519 0.146 0.000 1.253 377 W CA 0.266 57.682 57.345 0.119 0.000 1.274 377 W CB -0.206 29.414 29.460 0.267 0.000 1.114 377 W HN -0.024 nan 8.180 nan 0.000 0.596 378 S N 0.345 116.205 115.700 0.267 0.000 2.357 378 S HA -0.165 4.300 4.470 -0.009 0.000 0.221 378 S C 1.435 176.115 174.600 0.133 0.000 1.031 378 S CA 1.303 59.607 58.200 0.173 0.000 0.982 378 S CB -0.294 62.966 63.200 0.100 0.000 0.853 378 S HN 0.345 nan 8.310 nan 0.000 0.458 379 E N 0.176 120.427 120.200 0.086 0.000 2.150 379 E HA -0.108 4.237 4.350 -0.009 0.000 0.193 379 E C 1.726 178.300 176.600 -0.044 0.000 0.985 379 E CA 0.800 57.248 56.400 0.080 0.000 0.814 379 E CB -0.204 29.610 29.700 0.191 0.000 0.752 379 E HN 0.507 nan 8.360 nan 0.000 0.466 380 F N 2.053 121.764 119.950 -0.398 0.000 2.134 380 F HA -0.168 4.353 4.527 -0.009 0.000 0.299 380 F C 2.461 178.256 175.800 -0.009 0.000 1.097 380 F CA 1.538 59.261 58.000 -0.461 0.000 1.264 380 F CB 0.019 38.899 39.000 -0.201 0.000 1.001 380 F HN -0.215 nan 8.300 nan 0.000 0.479 381 R N 0.377 121.009 120.500 0.220 0.000 2.081 381 R HA -0.189 4.146 4.340 -0.009 0.000 0.235 381 R C 2.024 178.354 176.300 0.050 0.000 1.131 381 R CA 1.835 58.036 56.100 0.167 0.000 0.960 381 R CB -0.429 30.014 30.300 0.238 0.000 0.856 381 R HN 0.299 nan 8.270 nan 0.000 0.436 382 N N 0.669 119.401 118.700 0.054 0.000 2.104 382 N HA -0.170 4.565 4.740 -0.009 0.000 0.190 382 N C 1.623 177.148 175.510 0.025 0.000 1.024 382 N CA 1.582 54.661 53.050 0.049 0.000 0.853 382 N CB -0.460 38.066 38.487 0.064 0.000 1.008 382 N HN 0.314 nan 8.380 nan 0.000 0.424 383 A N 0.902 123.719 122.820 -0.005 0.000 1.858 383 A HA -0.080 4.235 4.320 -0.009 0.000 0.216 383 A C 2.581 180.134 177.584 -0.051 0.000 1.190 383 A CA 1.490 53.526 52.037 -0.003 0.000 0.617 383 A CB -0.902 18.132 19.000 0.057 0.000 0.827 383 A HN 0.096 nan 8.150 nan 0.000 0.443 384 V N 0.616 120.426 119.914 -0.174 0.000 2.261 384 V HA -0.231 3.883 4.120 -0.009 0.000 0.246 384 V C 2.470 178.587 176.094 0.038 0.000 1.047 384 V CA 2.186 64.434 62.300 -0.086 0.000 1.015 384 V CB -0.613 31.105 31.823 -0.175 0.000 0.642 384 V HN 0.431 nan 8.190 nan 0.000 0.446 385 K N 0.614 121.042 120.400 0.046 0.000 2.280 385 K HA -0.067 4.248 4.320 -0.009 0.000 0.202 385 K C 2.132 178.773 176.600 0.069 0.000 1.047 385 K CA 1.314 57.649 56.287 0.079 0.000 0.942 385 K CB -0.962 31.592 32.500 0.090 0.000 0.739 385 K HN 0.562 nan 8.250 nan 0.000 0.457 386 G N 0.673 109.505 108.800 0.053 0.000 2.422 386 G HA2 -0.142 3.813 3.960 -0.009 0.000 0.218 386 G HA3 -0.142 3.813 3.960 -0.009 0.000 0.218 386 G C 1.633 176.567 174.900 0.057 0.000 1.140 386 G CA 0.401 45.532 45.100 0.052 0.000 0.775 386 G HN 0.134 nan 8.290 nan 0.000 0.545 387 V N 0.356 120.310 119.914 0.066 0.000 2.446 387 V HA 0.098 4.213 4.120 -0.009 0.000 0.244 387 V C 0.615 176.762 176.094 0.089 0.000 1.039 387 V CA 1.289 63.636 62.300 0.079 0.000 1.045 387 V CB -0.091 31.791 31.823 0.097 0.000 0.681 387 V HN 0.439 nan 8.190 nan 0.000 0.459 388 N N -0.786 117.975 118.700 0.102 0.000 2.629 388 N HA 0.056 4.791 4.740 -0.009 0.000 0.277 388 N C 0.756 176.339 175.510 0.121 0.000 1.188 388 N CA 0.567 53.684 53.050 0.113 0.000 0.835 388 N CB 1.662 40.231 38.487 0.136 0.000 1.420 388 N HN 0.113 nan 8.380 nan 0.000 0.542 389 S N 1.976 117.737 115.700 0.102 0.000 2.465 389 S HA -0.058 4.407 4.470 -0.009 0.000 0.241 389 S C 0.777 175.447 174.600 0.116 0.000 1.000 389 S CA 0.711 58.970 58.200 0.097 0.000 0.964 389 S CB -0.071 63.174 63.200 0.075 0.000 0.763 389 S HN 0.539 nan 8.310 nan 0.000 0.512 390 N N 1.745 120.542 118.700 0.162 0.000 2.251 390 N HA 0.382 5.117 4.740 -0.009 0.000 0.217 390 N C -0.214 175.533 175.510 0.394 0.000 1.124 390 N CA 0.311 53.515 53.050 0.257 0.000 0.843 390 N CB 0.776 39.449 38.487 0.310 0.000 1.024 390 N HN 0.532 nan 8.380 nan 0.000 0.501 391 A N 0.576 123.564 122.820 0.279 0.000 2.328 391 A HA 0.688 5.003 4.320 -0.009 0.000 0.284 391 A C 0.355 178.093 177.584 0.257 0.000 1.160 391 A CA -0.533 51.694 52.037 0.317 0.000 0.818 391 A CB 0.549 19.699 19.000 0.251 0.000 1.087 391 A HN 0.205 nan 8.150 nan 0.000 0.504 392 A N 2.514 125.502 122.820 0.280 0.000 2.340 392 A HA 0.653 4.968 4.320 -0.009 0.000 0.268 392 A C -0.214 177.461 177.584 0.151 0.000 1.100 392 A CA -0.229 51.854 52.037 0.077 0.000 0.803 392 A CB 0.040 18.980 19.000 -0.100 0.000 1.043 392 A HN 0.774 nan 8.150 nan 0.000 0.488 393 I N 2.979 123.610 120.570 0.102 0.000 2.448 393 I HA 0.302 4.467 4.170 -0.009 0.000 0.281 393 I C -1.010 175.066 176.117 -0.068 0.000 1.027 393 I CA 0.103 61.482 61.300 0.131 0.000 1.111 393 I CB 1.132 39.300 38.000 0.280 0.000 1.236 393 I HN 0.461 nan 8.210 nan 0.000 0.452 394 I N 5.315 125.750 120.570 -0.224 0.000 2.382 394 I HA 0.450 4.615 4.170 -0.009 0.000 0.286 394 I C 0.660 176.344 176.117 -0.722 0.000 1.002 394 I CA -0.505 60.569 61.300 -0.377 0.000 1.135 394 I CB 1.806 39.615 38.000 -0.318 0.000 1.288 394 I HN 0.546 nan 8.210 nan 0.000 0.448 395 G N 4.556 112.633 108.800 -1.204 0.000 2.400 395 G HA2 0.303 4.258 3.960 -0.009 0.000 0.301 395 G HA3 0.303 4.258 3.960 -0.009 0.000 0.301 395 G C -0.712 173.595 174.900 -0.987 0.000 1.154 395 G CA -0.379 43.559 45.100 -1.935 0.000 0.852 395 G HN 0.650 nan 8.290 nan 0.000 0.511 396 Q N 0.357 119.757 119.800 -0.667 0.000 2.286 396 Q HA 0.453 4.788 4.340 -0.009 0.000 0.257 396 Q C -1.764 174.217 176.000 -0.030 0.000 0.941 396 Q CA -0.453 55.207 55.803 -0.238 0.000 0.912 396 Q CB 0.749 29.424 28.738 -0.106 0.000 1.192 396 Q HN 0.533 nan 8.270 nan 0.000 0.410 397 Y N 3.252 123.516 120.300 -0.060 0.000 2.474 397 Y HA 0.171 4.716 4.550 -0.009 0.000 0.326 397 Y C -1.384 174.617 175.900 0.167 0.000 1.160 397 Y CA -1.016 57.132 58.100 0.079 0.000 1.056 397 Y CB 0.808 39.340 38.460 0.121 0.000 1.330 397 Y HN 0.782 nan 8.280 nan 0.000 0.447 398 W N 2.574 123.627 121.300 -0.412 0.000 2.737 398 W HA 0.359 5.014 4.660 -0.008 0.000 0.262 398 W C 1.239 177.743 176.519 -0.024 0.000 1.282 398 W CA 0.986 58.188 57.345 -0.238 0.000 1.386 398 W CB 0.067 29.276 29.460 -0.419 0.000 1.099 398 W HN 0.712 nan 8.180 nan 0.000 0.621 399 G N -0.121 108.692 108.800 0.021 0.000 3.099 399 G HA2 0.089 4.044 3.960 -0.009 0.000 0.151 399 G HA3 0.089 4.044 3.960 -0.009 0.000 0.151 399 G C -0.678 174.585 174.900 0.605 0.000 1.265 399 G CA -0.594 44.704 45.100 0.330 0.000 0.981 399 G HN -0.134 nan 8.290 nan 0.000 0.601 400 N N 0.951 119.978 118.700 0.545 0.000 2.399 400 N HA 0.355 5.090 4.740 -0.009 0.000 0.259 400 N C 0.673 176.456 175.510 0.455 0.000 1.160 400 N CA 0.145 53.421 53.050 0.378 0.000 0.946 400 N CB 1.093 39.664 38.487 0.140 0.000 1.156 400 N HN 0.443 nan 8.380 nan 0.000 0.489 401 A N 3.888 127.038 122.820 0.549 0.000 2.359 401 A HA -0.016 4.299 4.320 -0.009 0.000 0.240 401 A C 1.840 179.630 177.584 0.343 0.000 1.306 401 A CA -0.324 51.972 52.037 0.431 0.000 0.898 401 A CB -0.727 18.595 19.000 0.537 0.000 0.956 401 A HN 0.827 nan 8.150 nan 0.000 0.497 402 N N 1.336 120.096 118.700 0.101 0.000 2.094 402 N HA -0.148 4.587 4.740 -0.009 0.000 0.191 402 N C -1.149 174.256 175.510 -0.174 0.000 1.023 402 N CA 1.885 54.893 53.050 -0.071 0.000 0.857 402 N CB -0.633 37.739 38.487 -0.192 0.000 1.013 402 N HN 0.275 nan 8.380 nan 0.000 0.426 403 P HA -0.068 nan 4.420 nan 0.000 0.222 403 P C 0.568 177.354 177.300 -0.857 0.000 1.147 403 P CA 1.018 63.686 63.100 -0.719 0.000 0.790 403 P CB -0.199 30.875 31.700 -1.043 0.000 0.780 404 W N -0.976 120.009 121.300 -0.525 0.000 3.005 404 W HA 0.227 4.882 4.660 -0.009 0.000 0.374 404 W C 0.810 176.936 176.519 -0.655 0.000 1.076 404 W CA 0.566 57.395 57.345 -0.860 0.000 1.794 404 W CB -0.161 28.020 29.460 -2.132 0.000 1.113 404 W HN 0.128 nan 8.180 nan 0.000 0.584 405 T N -4.440 110.008 114.554 -0.177 0.000 3.177 405 T HA 0.203 4.548 4.350 -0.009 0.000 0.262 405 T C 1.706 176.306 174.700 -0.166 0.000 0.959 405 T CA 0.674 62.736 62.100 -0.063 0.000 0.996 405 T CB -0.250 68.709 68.868 0.153 0.000 1.185 405 T HN -0.164 nan 8.240 nan 0.000 0.486 406 A N 1.333 124.046 122.820 -0.179 0.000 2.248 406 A HA 0.128 4.443 4.320 -0.009 0.000 0.210 406 A C 1.860 179.335 177.584 -0.181 0.000 1.174 406 A CA 0.671 52.558 52.037 -0.250 0.000 0.750 406 A CB -0.685 18.184 19.000 -0.218 0.000 0.780 406 A HN 0.651 nan 8.150 nan 0.000 0.478 407 Q N -1.907 117.731 119.800 -0.270 0.000 2.189 407 Q HA 0.260 4.595 4.340 -0.009 0.000 0.223 407 Q C 1.032 176.781 176.000 -0.419 0.000 0.828 407 Q CA 0.200 55.864 55.803 -0.233 0.000 0.967 407 Q CB 0.578 29.201 28.738 -0.190 0.000 1.139 407 Q HN 0.767 nan 8.270 nan 0.000 0.497 408 G N 2.755 111.045 108.800 -0.850 0.000 2.212 408 G HA2 -0.353 3.602 3.960 -0.009 0.000 0.267 408 G HA3 -0.353 3.602 3.960 -0.009 0.000 0.267 408 G C 0.289 174.719 174.900 -0.783 0.000 1.002 408 G CA 1.099 45.166 45.100 -1.723 0.000 0.729 408 G HN 0.686 nan 8.290 nan 0.000 0.517 409 N N -1.806 116.651 118.700 -0.405 0.000 2.177 409 N HA 0.252 4.987 4.740 -0.009 0.000 0.218 409 N C 1.146 176.646 175.510 -0.016 0.000 1.182 409 N CA 0.041 53.003 53.050 -0.145 0.000 0.882 409 N CB 0.318 38.748 38.487 -0.095 0.000 1.052 409 N HN 0.531 nan 8.380 nan 0.000 0.519 410 Q N -0.364 119.419 119.800 -0.027 0.000 1.989 410 Q HA 0.261 4.596 4.340 -0.009 0.000 0.166 410 Q C -0.675 175.521 176.000 0.327 0.000 0.536 410 Q CA -0.504 55.389 55.803 0.151 0.000 0.651 410 Q CB 0.400 29.141 28.738 0.005 0.000 1.468 410 Q HN 0.158 nan 8.270 nan 0.000 0.350 411 W N 1.683 123.034 121.300 0.086 0.000 2.359 411 W HA 0.273 4.928 4.660 -0.008 0.000 0.344 411 W C 0.494 177.087 176.519 0.123 0.000 1.170 411 W CA -0.773 56.600 57.345 0.048 0.000 1.296 411 W CB -0.013 29.401 29.460 -0.076 0.000 1.197 411 W HN 0.450 nan 8.180 nan 0.000 0.618 412 D N 0.317 120.916 120.400 0.331 0.000 2.240 412 D HA 0.242 4.877 4.640 -0.009 0.000 0.206 412 D C 0.655 177.020 176.300 0.108 0.000 0.963 412 D CA 1.050 55.178 54.000 0.213 0.000 0.863 412 D CB 0.678 41.491 40.800 0.022 0.000 0.973 412 D HN 0.275 nan 8.370 nan 0.000 0.501 413 A N -0.474 122.398 122.820 0.086 0.000 2.483 413 A HA 0.747 5.062 4.320 -0.009 0.000 0.306 413 A C -1.642 175.952 177.584 0.016 0.000 1.137 413 A CA 0.001 52.019 52.037 -0.031 0.000 0.626 413 A CB 0.927 19.825 19.000 -0.170 0.000 1.352 413 A HN 0.118 nan 8.150 nan 0.000 0.508 414 A N -0.800 121.969 122.820 -0.085 0.000 2.593 414 A HA 0.811 5.125 4.320 -0.009 0.000 0.290 414 A C -0.101 177.412 177.584 -0.119 0.000 1.126 414 A CA 0.193 52.199 52.037 -0.053 0.000 0.695 414 A CB 0.425 19.556 19.000 0.218 0.000 1.290 414 A HN 2.188 nan 8.150 nan 0.000 0.414 415 T N -0.038 114.459 114.554 -0.095 0.000 2.784 415 T HA 0.167 4.512 4.350 -0.009 0.000 0.291 415 T C 0.146 174.748 174.700 -0.163 0.000 0.942 415 T CA -0.106 61.929 62.100 -0.109 0.000 1.161 415 T CB -0.108 68.723 68.868 -0.061 0.000 0.885 415 T HN 0.499 nan 8.240 nan 0.000 0.534 416 N N 2.544 121.026 118.700 -0.362 0.000 3.243 416 N HA 0.185 4.920 4.740 -0.009 0.000 0.310 416 N C 0.320 175.702 175.510 -0.214 0.000 1.313 416 N CA -0.896 52.026 53.050 -0.212 0.000 1.204 416 N CB -1.005 37.370 38.487 -0.187 0.000 1.483 416 N HN 0.682 nan 8.380 nan 0.000 0.553 417 F N -0.160 119.722 119.950 -0.112 0.000 2.075 417 F HA -0.154 4.368 4.527 -0.008 0.000 0.297 417 F C 2.146 178.087 175.800 0.235 0.000 1.113 417 F CA 1.166 59.149 58.000 -0.028 0.000 1.218 417 F CB -0.077 38.889 39.000 -0.055 0.000 0.984 417 F HN 0.263 nan 8.300 nan 0.000 0.472 418 D N -0.674 120.041 120.400 0.525 0.000 2.224 418 D HA -0.057 4.578 4.640 -0.009 0.000 0.205 418 D C 2.206 178.830 176.300 0.541 0.000 0.965 418 D CA 1.293 55.627 54.000 0.557 0.000 0.852 418 D CB -0.301 40.797 40.800 0.497 0.000 0.947 418 D HN 0.212 nan 8.370 nan 0.000 0.494 419 G N -2.321 106.723 108.800 0.407 0.000 3.020 419 G HA2 0.093 4.048 3.960 -0.009 0.000 0.217 419 G HA3 0.093 4.048 3.960 -0.009 0.000 0.217 419 G C 0.687 175.756 174.900 0.281 0.000 1.144 419 G CA -0.041 45.280 45.100 0.367 0.000 0.760 419 G HN 0.317 nan 8.290 nan 0.000 0.548 420 F N -0.200 119.764 119.950 0.022 0.000 1.832 420 F HA 0.143 4.665 4.527 -0.008 0.000 0.236 420 F C 2.414 178.181 175.800 -0.055 0.000 1.180 420 F CA 1.106 59.082 58.000 -0.039 0.000 1.297 420 F CB -0.155 38.790 39.000 -0.092 0.000 1.748 420 F HN -0.023 nan 8.300 nan 0.000 0.453 421 T N 0.825 115.389 114.554 0.017 0.000 2.624 421 T HA -0.281 4.064 4.350 -0.009 0.000 0.268 421 T C 1.615 176.391 174.700 0.126 0.000 1.041 421 T CA 2.284 64.390 62.100 0.011 0.000 1.159 421 T CB -0.424 68.438 68.868 -0.010 0.000 0.863 421 T HN 0.238 nan 8.240 nan 0.000 0.434 422 Q N 1.398 121.351 119.800 0.256 0.000 2.016 422 Q HA -0.029 4.306 4.340 -0.009 0.000 0.200 422 Q C -0.549 175.270 176.000 -0.302 0.000 0.978 422 Q CA 1.707 57.613 55.803 0.172 0.000 0.833 422 Q CB -1.075 27.881 28.738 0.363 0.000 0.895 422 Q HN 0.369 nan 8.270 nan 0.000 0.427 423 P HA -0.147 nan 4.420 nan 0.000 0.216 423 P C 1.200 178.255 177.300 -0.408 0.000 1.150 423 P CA 1.260 63.740 63.100 -1.033 0.000 0.837 423 P CB -0.020 30.880 31.700 -1.335 0.000 0.786 424 V N 0.306 120.029 119.914 -0.319 0.000 2.427 424 V HA -0.177 3.938 4.120 -0.009 0.000 0.248 424 V C 3.032 179.052 176.094 -0.123 0.000 1.051 424 V CA 2.300 64.409 62.300 -0.317 0.000 1.048 424 V CB -1.456 30.085 31.823 -0.469 0.000 0.666 424 V HN 0.243 nan 8.190 nan 0.000 0.456 425 S N -0.370 115.312 115.700 -0.029 0.000 2.348 425 S HA -0.217 4.248 4.470 -0.009 0.000 0.221 425 S C 1.964 176.528 174.600 -0.061 0.000 1.033 425 S CA 1.835 60.076 58.200 0.067 0.000 1.010 425 S CB -0.221 63.048 63.200 0.116 0.000 0.891 425 S HN 0.725 nan 8.310 nan 0.000 0.442 426 E N -0.899 119.238 120.200 -0.104 0.000 2.150 426 E HA -0.161 4.184 4.350 -0.009 0.000 0.193 426 E C 1.714 178.272 176.600 -0.070 0.000 0.985 426 E CA 1.086 57.438 56.400 -0.079 0.000 0.814 426 E CB -0.204 29.471 29.700 -0.042 0.000 0.752 426 E HN 0.737 nan 8.360 nan 0.000 0.466 427 W N 1.358 122.416 121.300 -0.404 0.000 2.407 427 W HA -0.024 4.631 4.660 -0.009 0.000 0.305 427 W C 1.760 178.069 176.519 -0.349 0.000 1.196 427 W CA 1.040 58.079 57.345 -0.510 0.000 1.311 427 W CB -0.142 28.594 29.460 -1.206 0.000 1.135 427 W HN -0.107 nan 8.180 nan 0.000 0.514 428 I N -0.171 120.203 120.570 -0.326 0.000 2.480 428 I HA -0.141 4.024 4.170 -0.009 0.000 0.251 428 I C 2.246 178.197 176.117 -0.276 0.000 1.124 428 I CA 1.781 62.866 61.300 -0.359 0.000 1.444 428 I CB -0.789 37.158 38.000 -0.088 0.000 1.098 428 I HN 0.045 nan 8.210 nan 0.000 0.428 429 T N -2.752 111.661 114.554 -0.234 0.000 3.023 429 T HA 0.295 4.640 4.350 -0.009 0.000 0.253 429 T C 1.570 176.163 174.700 -0.177 0.000 1.038 429 T CA 0.449 62.393 62.100 -0.260 0.000 0.962 429 T CB 0.669 69.311 68.868 -0.376 0.000 1.018 429 T HN 0.457 nan 8.240 nan 0.000 0.521 430 G N 1.786 110.502 108.800 -0.139 0.000 2.166 430 G HA2 -0.227 3.728 3.960 -0.009 0.000 0.260 430 G HA3 -0.227 3.728 3.960 -0.009 0.000 0.260 430 G C -0.047 174.809 174.900 -0.073 0.000 0.986 430 G CA 0.486 45.532 45.100 -0.090 0.000 0.683 430 G HN 0.662 nan 8.290 nan 0.000 0.527 431 K N 0.511 120.858 120.400 -0.088 0.000 2.400 431 K HA 0.550 4.865 4.320 -0.009 0.000 0.246 431 K C -0.231 176.333 176.600 -0.060 0.000 0.995 431 K CA -0.421 55.824 56.287 -0.071 0.000 0.840 431 K CB 1.828 34.277 32.500 -0.085 0.000 1.293 431 K HN 0.290 nan 8.250 nan 0.000 0.445 432 D N -0.852 119.510 120.400 -0.064 0.000 2.432 432 D HA 0.044 4.679 4.640 -0.009 0.000 0.258 432 D C 1.026 177.297 176.300 -0.049 0.000 1.146 432 D CA -0.361 53.568 54.000 -0.119 0.000 1.015 432 D CB 0.005 40.678 40.800 -0.212 0.000 1.107 432 D HN 0.544 nan 8.370 nan 0.000 0.529 433 Y N -2.149 118.236 120.300 0.142 0.000 2.651 433 Y HA 0.034 4.579 4.550 -0.008 0.000 0.296 433 Y C 1.386 177.373 175.900 0.146 0.000 1.150 433 Y CA 0.448 58.655 58.100 0.178 0.000 1.348 433 Y CB -0.758 37.884 38.460 0.303 0.000 0.983 433 Y HN 0.153 nan 8.280 nan 0.000 0.555 434 Q N 1.107 121.022 119.800 0.192 0.000 2.392 434 Q HA -0.006 4.329 4.340 -0.009 0.000 0.203 434 Q C 0.097 176.143 176.000 0.077 0.000 0.917 434 Q CA 0.563 56.462 55.803 0.161 0.000 0.939 434 Q CB -0.259 28.523 28.738 0.072 0.000 1.063 434 Q HN 0.847 nan 8.270 nan 0.000 0.516 435 N N 0.721 119.448 118.700 0.045 0.000 2.862 435 N HA -0.120 4.615 4.740 -0.009 0.000 0.248 435 N C -1.050 174.451 175.510 -0.014 0.000 1.116 435 N CA -0.065 52.989 53.050 0.006 0.000 0.727 435 N CB -0.325 38.171 38.487 0.014 0.000 1.083 435 N HN 0.127 nan 8.380 nan 0.000 0.555 436 N N 0.405 119.090 118.700 -0.025 0.000 2.399 436 N HA 0.181 4.916 4.740 -0.009 0.000 0.295 436 N C -0.693 174.797 175.510 -0.034 0.000 1.048 436 N CA -0.231 52.802 53.050 -0.028 0.000 0.886 436 N CB 1.658 40.127 38.487 -0.030 0.000 1.185 436 N HN 0.092 nan 8.380 nan 0.000 0.487 437 S N 1.060 116.742 115.700 -0.029 0.000 2.885 437 S HA 0.194 4.659 4.470 -0.009 0.000 0.334 437 S C 0.061 174.650 174.600 -0.019 0.000 1.224 437 S CA -0.096 58.088 58.200 -0.027 0.000 1.080 437 S CB -0.203 62.984 63.200 -0.022 0.000 0.801 437 S HN 0.635 nan 8.310 nan 0.000 0.510 438 A N 3.242 126.052 122.820 -0.017 0.000 2.538 438 A HA 0.562 4.877 4.320 -0.009 0.000 0.293 438 A C -0.323 177.269 177.584 0.015 0.000 1.065 438 A CA -0.563 51.479 52.037 0.008 0.000 0.936 438 A CB 1.089 20.093 19.000 0.007 0.000 1.481 438 A HN 0.585 nan 8.150 nan 0.000 0.394 439 S N 2.282 118.000 115.700 0.029 0.000 2.532 439 S HA 0.908 5.373 4.470 -0.009 0.000 0.301 439 S C -0.323 174.328 174.600 0.085 0.000 1.083 439 S CA -0.506 57.714 58.200 0.032 0.000 1.025 439 S CB 0.752 63.955 63.200 0.004 0.000 1.056 439 S HN 1.399 nan 8.310 nan 0.000 0.494 440 I N 1.023 121.662 120.570 0.115 0.000 2.828 440 I HA 0.724 4.889 4.170 -0.009 0.000 0.302 440 I C -0.021 176.228 176.117 0.221 0.000 1.101 440 I CA -0.934 60.473 61.300 0.179 0.000 1.031 440 I CB 2.120 40.272 38.000 0.254 0.000 1.231 440 I HN 0.631 nan 8.210 nan 0.000 0.427 441 S N 2.239 118.061 115.700 0.204 0.000 2.655 441 S HA 0.311 4.776 4.470 -0.009 0.000 0.265 441 S C 0.874 175.639 174.600 0.275 0.000 1.240 441 S CA 0.063 58.400 58.200 0.228 0.000 0.986 441 S CB 1.244 64.532 63.200 0.147 0.000 0.985 441 S HN 0.748 nan 8.310 nan 0.000 0.562 442 T N 1.586 116.325 114.554 0.307 0.000 2.746 442 T HA -0.097 4.248 4.350 -0.009 0.000 0.267 442 T C 2.137 176.804 174.700 -0.056 0.000 1.039 442 T CA 2.039 64.227 62.100 0.146 0.000 1.142 442 T CB -1.174 67.871 68.868 0.296 0.000 0.866 442 T HN 0.942 nan 8.240 nan 0.000 0.444 443 T N 1.283 115.865 114.554 0.047 0.000 2.833 443 T HA -0.137 4.208 4.350 -0.009 0.000 0.269 443 T C 1.943 176.657 174.700 0.023 0.000 1.054 443 T CA 0.996 63.117 62.100 0.035 0.000 1.135 443 T CB -0.403 68.509 68.868 0.073 0.000 0.869 443 T HN 0.433 nan 8.240 nan 0.000 0.466 444 Q N -0.132 119.708 119.800 0.066 0.000 2.083 444 Q HA 0.117 4.451 4.340 -0.009 0.000 0.198 444 Q C 1.994 178.078 176.000 0.140 0.000 0.969 444 Q CA 1.150 57.023 55.803 0.117 0.000 0.838 444 Q CB -0.353 28.486 28.738 0.168 0.000 0.900 444 Q HN 0.632 nan 8.270 nan 0.000 0.436 445 F N 2.080 121.915 119.950 -0.192 0.000 2.043 445 F HA -0.334 4.187 4.527 -0.009 0.000 0.297 445 F C 1.992 177.542 175.800 -0.415 0.000 1.121 445 F CA 1.868 59.598 58.000 -0.451 0.000 1.199 445 F CB -0.033 38.298 39.000 -1.115 0.000 0.968 445 F HN 0.111 nan 8.300 nan 0.000 0.478 446 D N -0.543 119.502 120.400 -0.592 0.000 2.123 446 D HA -0.243 4.392 4.640 -0.009 0.000 0.196 446 D C 2.273 178.492 176.300 -0.134 0.000 0.992 446 D CA 1.631 55.362 54.000 -0.449 0.000 0.833 446 D CB -0.297 40.375 40.800 -0.214 0.000 0.954 446 D HN 0.276 nan 8.370 nan 0.000 0.455 447 S N -1.066 114.612 115.700 -0.038 0.000 2.368 447 S HA -0.152 4.313 4.470 -0.009 0.000 0.224 447 S C 1.776 176.419 174.600 0.072 0.000 1.029 447 S CA 1.103 59.321 58.200 0.029 0.000 0.988 447 S CB -0.721 62.504 63.200 0.041 0.000 0.838 447 S HN 0.557 nan 8.310 nan 0.000 0.462 448 W N 2.165 123.393 121.300 -0.121 0.000 2.333 448 W HA -0.098 4.557 4.660 -0.008 0.000 0.316 448 W C 1.828 178.277 176.519 -0.117 0.000 1.215 448 W CA 1.232 58.523 57.345 -0.091 0.000 1.278 448 W CB -1.094 28.331 29.460 -0.058 0.000 1.154 448 W HN 0.358 nan 8.180 nan 0.000 0.486 449 L N 0.107 121.364 121.223 0.055 0.000 2.046 449 L HA -0.225 4.109 4.340 -0.009 0.000 0.208 449 L C 2.849 179.731 176.870 0.021 0.000 1.077 449 L CA 1.822 56.629 54.840 -0.054 0.000 0.747 449 L CB -0.978 40.863 42.059 -0.364 0.000 0.896 449 L HN -0.077 nan 8.230 nan 0.000 0.432 450 R N 0.270 120.767 120.500 -0.005 0.000 2.066 450 R HA -0.127 4.208 4.340 -0.009 0.000 0.232 450 R C 2.283 178.580 176.300 -0.005 0.000 1.131 450 R CA 1.459 57.554 56.100 -0.008 0.000 0.955 450 R CB -0.478 29.832 30.300 0.017 0.000 0.851 450 R HN 0.383 nan 8.270 nan 0.000 0.432 451 G N -0.491 108.315 108.800 0.010 0.000 2.432 451 G HA2 -0.274 3.680 3.960 -0.009 0.000 0.219 451 G HA3 -0.274 3.680 3.960 -0.009 0.000 0.219 451 G C 1.430 176.332 174.900 0.003 0.000 1.135 451 G CA 1.338 46.424 45.100 -0.023 0.000 0.767 451 G HN 0.554 nan 8.290 nan 0.000 0.550 452 T N -1.339 113.276 114.554 0.101 0.000 2.978 452 T HA 0.086 4.431 4.350 -0.009 0.000 0.262 452 T C 2.292 177.083 174.700 0.151 0.000 1.063 452 T CA 0.473 62.663 62.100 0.149 0.000 1.140 452 T CB -0.129 68.935 68.868 0.326 0.000 0.886 452 T HN 0.257 nan 8.240 nan 0.000 0.470 453 R N 1.384 121.962 120.500 0.130 0.000 2.092 453 R HA 0.189 4.524 4.340 -0.009 0.000 0.231 453 R C 2.847 179.200 176.300 0.089 0.000 1.119 453 R CA 1.169 57.345 56.100 0.128 0.000 0.970 453 R CB -0.628 29.670 30.300 -0.004 0.000 0.864 453 R HN 0.505 nan 8.270 nan 0.000 0.440 454 A N 1.483 124.303 122.820 -0.000 0.000 2.125 454 A HA -0.124 4.191 4.320 -0.009 0.000 0.219 454 A C 1.428 178.987 177.584 -0.043 0.000 1.156 454 A CA 1.105 53.111 52.037 -0.052 0.000 0.671 454 A CB -0.308 18.611 19.000 -0.135 0.000 0.794 454 A HN 0.242 nan 8.150 nan 0.000 0.459 455 N N -1.159 117.450 118.700 -0.151 0.000 2.512 455 N HA 0.030 4.765 4.740 -0.009 0.000 0.183 455 N C -0.575 174.648 175.510 -0.479 0.000 1.073 455 N CA 0.725 53.549 53.050 -0.377 0.000 0.911 455 N CB -0.114 37.954 38.487 -0.699 0.000 0.964 455 N HN 0.650 nan 8.380 nan 0.000 0.447 456 Y N -0.641 119.675 120.300 0.025 0.000 2.536 456 Y HA 0.451 4.996 4.550 -0.008 0.000 0.347 456 Y C -2.204 173.612 175.900 -0.139 0.000 1.000 456 Y CA -2.600 55.438 58.100 -0.103 0.000 1.051 456 Y CB 1.410 39.844 38.460 -0.043 0.000 1.259 456 Y HN -0.209 nan 8.280 nan 0.000 0.468 457 P HA 0.055 nan 4.420 nan 0.000 0.270 457 P C 0.459 177.814 177.300 0.093 0.000 1.223 457 P CA 0.265 63.334 63.100 -0.051 0.000 0.785 457 P CB 0.753 32.437 31.700 -0.026 0.000 0.923 458 T N 0.543 115.177 114.554 0.133 0.000 2.684 458 T HA -0.190 4.155 4.350 -0.009 0.000 0.267 458 T C 1.454 176.133 174.700 -0.037 0.000 1.036 458 T CA 2.131 64.271 62.100 0.068 0.000 1.148 458 T CB -1.138 67.783 68.868 0.088 0.000 0.863 458 T HN 0.655 nan 8.240 nan 0.000 0.436 459 N N 1.095 119.742 118.700 -0.088 0.000 2.289 459 N HA -0.092 4.643 4.740 -0.009 0.000 0.184 459 N C 1.721 177.101 175.510 -0.216 0.000 1.016 459 N CA 0.778 53.709 53.050 -0.199 0.000 0.872 459 N CB -0.438 37.852 38.487 -0.329 0.000 0.973 459 N HN 0.190 nan 8.380 nan 0.000 0.433 460 V N 1.210 121.039 119.914 -0.143 0.000 2.323 460 V HA -0.198 3.917 4.120 -0.009 0.000 0.244 460 V C 2.601 178.574 176.094 -0.202 0.000 1.041 460 V CA 1.567 63.788 62.300 -0.131 0.000 1.025 460 V CB -0.755 31.064 31.823 -0.007 0.000 0.656 460 V HN 0.337 nan 8.190 nan 0.000 0.451 461 Q N -0.128 119.592 119.800 -0.135 0.000 2.045 461 Q HA -0.319 4.016 4.340 -0.009 0.000 0.206 461 Q C 2.274 178.146 176.000 -0.213 0.000 0.991 461 Q CA 2.167 57.880 55.803 -0.151 0.000 0.851 461 Q CB -0.270 28.425 28.738 -0.073 0.000 0.911 461 Q HN 0.696 nan 8.270 nan 0.000 0.418 462 Q N -0.470 119.212 119.800 -0.196 0.000 2.437 462 Q HA -0.042 4.293 4.340 -0.009 0.000 0.210 462 Q C 1.209 177.067 176.000 -0.237 0.000 0.972 462 Q CA 0.911 56.587 55.803 -0.212 0.000 0.903 462 Q CB 0.303 28.933 28.738 -0.180 0.000 0.967 462 Q HN 0.140 nan 8.270 nan 0.000 0.486 463 S N -0.553 114.995 115.700 -0.253 0.000 2.559 463 S HA 0.183 4.648 4.470 -0.009 0.000 0.226 463 S C 0.326 174.764 174.600 -0.270 0.000 1.000 463 S CA -0.225 57.809 58.200 -0.276 0.000 0.948 463 S CB 0.381 63.407 63.200 -0.290 0.000 0.870 463 S HN 0.222 nan 8.310 nan 0.000 0.497 464 M N 1.832 121.263 119.600 -0.281 0.000 2.249 464 M HA 0.179 4.654 4.480 -0.009 0.000 0.340 464 M C 0.095 176.224 176.300 -0.285 0.000 1.166 464 M CA 0.408 55.533 55.300 -0.292 0.000 1.115 464 M CB -0.329 32.089 32.600 -0.303 0.000 1.606 464 M HN 0.245 nan 8.290 nan 0.000 0.448 465 M N 4.420 123.861 119.600 -0.265 0.000 2.264 465 M HA 0.114 4.588 4.480 -0.009 0.000 0.340 465 M C -0.745 175.325 176.300 -0.383 0.000 1.420 465 M CA -0.099 55.066 55.300 -0.225 0.000 1.254 465 M CB -0.182 32.349 32.600 -0.115 0.000 1.575 465 M HN 0.395 nan 8.290 nan 0.000 0.452 466 N N 7.237 125.632 118.700 -0.509 0.000 2.589 466 N HA 0.318 5.053 4.740 -0.009 0.000 0.232 466 N C -1.394 173.701 175.510 -0.691 0.000 1.015 466 N CA -0.044 52.406 53.050 -1.001 0.000 0.931 466 N CB 0.194 37.699 38.487 -1.637 0.000 1.150 466 N HN 0.476 nan 8.380 nan 0.000 0.512 467 F N -1.115 118.713 119.950 -0.203 0.000 2.507 467 F HA 0.540 5.062 4.527 -0.009 0.000 0.327 467 F C 1.004 176.950 175.800 0.243 0.000 1.068 467 F CA -1.139 56.861 58.000 -0.001 0.000 0.965 467 F CB 1.208 40.149 39.000 -0.099 0.000 1.192 467 F HN 0.002 nan 8.300 nan 0.000 0.476 468 L N 0.621 122.094 121.223 0.418 0.000 2.209 468 L HA 0.153 4.488 4.340 -0.009 0.000 0.207 468 L C 0.283 177.378 176.870 0.375 0.000 1.094 468 L CA 0.735 55.736 54.840 0.269 0.000 0.790 468 L CB -0.320 41.731 42.059 -0.013 0.000 0.932 468 L HN 0.735 nan 8.230 nan 0.000 0.447 469 S N -0.815 115.118 115.700 0.389 0.000 2.671 469 S HA 0.591 5.056 4.470 -0.009 0.000 0.277 469 S C -1.132 173.388 174.600 -0.132 0.000 1.165 469 S CA -0.884 57.473 58.200 0.262 0.000 0.822 469 S CB 2.253 65.631 63.200 0.297 0.000 1.150 469 S HN 0.331 nan 8.310 nan 0.000 0.479 470 N N -0.467 117.886 118.700 -0.577 0.000 3.261 470 N HA 0.124 4.858 4.740 -0.009 0.000 0.248 470 N C 0.133 175.009 175.510 -1.056 0.000 1.498 470 N CA -0.572 51.636 53.050 -1.405 0.000 0.884 470 N CB -0.269 37.441 38.487 -1.294 0.000 1.428 470 N HN 0.736 nan 8.380 nan 0.000 0.517 471 H N -1.172 117.354 119.070 -0.906 0.000 2.560 471 H HA 0.086 4.637 4.556 -0.008 0.000 0.283 471 H C -0.635 174.625 175.328 -0.114 0.000 1.028 471 H CA 1.131 57.029 56.048 -0.250 0.000 1.221 471 H CB -0.208 29.579 29.762 0.042 0.000 1.363 471 H HN 0.509 nan 8.280 nan 0.000 0.594 472 D N 0.723 120.826 120.400 -0.494 0.000 2.433 472 D HA 0.216 4.851 4.640 -0.009 0.000 0.211 472 D C 1.158 177.476 176.300 0.031 0.000 1.114 472 D CA 0.049 53.923 54.000 -0.209 0.000 0.837 472 D CB 1.067 41.768 40.800 -0.165 0.000 0.984 472 D HN 0.568 nan 8.370 nan 0.000 0.505 473 I N -2.281 118.301 120.570 0.021 0.000 3.239 473 I HA 0.459 4.624 4.170 -0.009 0.000 0.314 473 I C 0.123 176.315 176.117 0.125 0.000 1.126 473 I CA -1.062 60.328 61.300 0.151 0.000 0.973 473 I CB 1.728 39.872 38.000 0.240 0.000 1.252 473 I HN -0.281 nan 8.210 nan 0.000 0.463 474 T N 0.275 114.929 114.554 0.167 0.000 2.918 474 T HA 0.323 4.667 4.350 -0.009 0.000 0.302 474 T C 0.395 175.179 174.700 0.141 0.000 1.045 474 T CA -0.667 61.507 62.100 0.125 0.000 1.114 474 T CB 0.577 69.507 68.868 0.104 0.000 0.965 474 T HN 0.510 nan 8.240 nan 0.000 0.540 475 R N 1.429 121.996 120.500 0.111 0.000 2.623 475 R HA 0.094 4.429 4.340 -0.009 0.000 0.271 475 R C 0.937 177.322 176.300 0.142 0.000 1.043 475 R CA -0.271 55.909 56.100 0.134 0.000 1.083 475 R CB -0.175 30.164 30.300 0.064 0.000 0.974 475 R HN 0.849 nan 8.270 nan 0.000 0.436 476 F N 2.716 122.709 119.950 0.072 0.000 2.126 476 F HA -0.242 4.280 4.527 -0.008 0.000 0.299 476 F C 2.032 177.843 175.800 0.017 0.000 1.096 476 F CA 2.119 60.153 58.000 0.056 0.000 1.255 476 F CB -0.085 38.958 39.000 0.072 0.000 0.997 476 F HN 0.690 nan 8.300 nan 0.000 0.479 477 A N -1.029 121.873 122.820 0.135 0.000 2.024 477 A HA -0.178 4.136 4.320 -0.009 0.000 0.220 477 A C 2.166 179.715 177.584 -0.059 0.000 1.164 477 A CA 2.238 54.296 52.037 0.035 0.000 0.643 477 A CB -1.267 17.769 19.000 0.060 0.000 0.806 477 A HN 0.447 nan 8.150 nan 0.000 0.451 478 T N -0.982 113.540 114.554 -0.052 0.000 2.894 478 T HA -0.027 4.318 4.350 -0.009 0.000 0.258 478 T C 2.035 176.669 174.700 -0.111 0.000 1.043 478 T CA 1.099 63.165 62.100 -0.057 0.000 1.141 478 T CB -0.145 68.713 68.868 -0.015 0.000 0.873 478 T HN 0.497 nan 8.240 nan 0.000 0.449 479 R N 1.020 121.420 120.500 -0.166 0.000 2.193 479 R HA 0.041 4.376 4.340 -0.009 0.000 0.229 479 R C 2.443 178.551 176.300 -0.320 0.000 1.110 479 R CA 1.039 57.005 56.100 -0.224 0.000 0.988 479 R CB -0.097 30.049 30.300 -0.256 0.000 0.871 479 R HN 0.199 nan 8.270 nan 0.000 0.458 480 S N -0.846 114.613 115.700 -0.403 0.000 2.496 480 S HA 0.066 4.531 4.470 -0.009 0.000 0.224 480 S C 1.182 175.661 174.600 -0.202 0.000 0.996 480 S CA 0.773 58.749 58.200 -0.374 0.000 0.927 480 S CB 0.745 63.719 63.200 -0.377 0.000 0.774 480 S HN 0.645 nan 8.310 nan 0.000 0.524 481 G N 0.616 109.327 108.800 -0.147 0.000 2.137 481 G HA2 -0.034 3.921 3.960 -0.009 0.000 0.237 481 G HA3 -0.034 3.921 3.960 -0.009 0.000 0.237 481 G C 0.851 175.713 174.900 -0.064 0.000 1.002 481 G CA 0.201 45.246 45.100 -0.091 0.000 0.702 481 G HN 1.323 nan 8.290 nan 0.000 0.515 482 G N -0.792 107.971 108.800 -0.061 0.000 2.159 482 G HA2 -0.196 3.759 3.960 -0.009 0.000 0.256 482 G HA3 -0.196 3.759 3.960 -0.009 0.000 0.256 482 G C 0.163 175.050 174.900 -0.022 0.000 0.977 482 G CA 0.978 46.060 45.100 -0.030 0.000 0.652 482 G HN 1.520 nan 8.290 nan 0.000 0.531 483 D N 0.574 120.948 120.400 -0.042 0.000 2.352 483 D HA 0.373 5.008 4.640 -0.009 0.000 0.245 483 D C 1.764 178.041 176.300 -0.037 0.000 1.224 483 D CA -0.511 53.478 54.000 -0.017 0.000 0.879 483 D CB 0.210 40.986 40.800 -0.041 0.000 1.057 483 D HN 0.145 nan 8.370 nan 0.000 0.491 484 L N 3.076 124.259 121.223 -0.066 0.000 2.127 484 L HA -0.158 4.177 4.340 -0.009 0.000 0.211 484 L C 1.444 177.904 176.870 -0.683 0.000 1.089 484 L CA 0.902 55.551 54.840 -0.319 0.000 0.757 484 L CB -0.142 41.681 42.059 -0.394 0.000 0.899 484 L HN 0.564 nan 8.230 nan 0.000 0.434 485 W N 0.370 121.331 121.300 -0.564 0.000 2.342 485 W HA -0.194 4.462 4.660 -0.008 0.000 0.297 485 W C 2.549 178.987 176.519 -0.135 0.000 1.213 485 W CA 0.970 58.096 57.345 -0.365 0.000 1.251 485 W CB -0.322 29.136 29.460 -0.003 0.000 1.136 485 W HN 0.003 nan 8.180 nan 0.000 0.526 486 K N -0.835 119.561 120.400 -0.007 0.000 2.147 486 K HA -0.105 4.210 4.320 -0.009 0.000 0.205 486 K C 1.865 178.624 176.600 0.265 0.000 1.049 486 K CA 1.680 57.950 56.287 -0.028 0.000 0.936 486 K CB -0.494 31.902 32.500 -0.175 0.000 0.722 486 K HN 0.057 nan 8.250 nan 0.000 0.446 487 T N 0.362 115.044 114.554 0.214 0.000 2.857 487 T HA -0.074 4.271 4.350 -0.009 0.000 0.266 487 T C 1.535 176.371 174.700 0.227 0.000 1.048 487 T CA 0.909 63.151 62.100 0.238 0.000 1.139 487 T CB -0.221 68.754 68.868 0.179 0.000 0.874 487 T HN 0.286 nan 8.240 nan 0.000 0.455 488 Y N 0.573 120.961 120.300 0.146 0.000 2.097 488 Y HA -0.152 4.393 4.550 -0.008 0.000 0.282 488 Y C 2.454 178.436 175.900 0.137 0.000 1.152 488 Y CA 0.307 58.487 58.100 0.133 0.000 1.136 488 Y CB -0.324 38.261 38.460 0.207 0.000 0.975 488 Y HN 0.119 nan 8.280 nan 0.000 0.498 489 L N 0.596 122.046 121.223 0.378 0.000 2.042 489 L HA -0.200 4.135 4.340 -0.009 0.000 0.210 489 L C 2.448 179.482 176.870 0.273 0.000 1.076 489 L CA 1.959 56.983 54.840 0.306 0.000 0.749 489 L CB -1.003 41.230 42.059 0.290 0.000 0.893 489 L HN 0.147 nan 8.230 nan 0.000 0.432 490 A N -0.588 122.335 122.820 0.172 0.000 1.877 490 A HA -0.180 4.135 4.320 -0.009 0.000 0.216 490 A C 2.275 179.945 177.584 0.143 0.000 1.186 490 A CA 2.023 54.084 52.037 0.039 0.000 0.620 490 A CB -0.919 17.756 19.000 -0.542 0.000 0.822 490 A HN 0.504 nan 8.150 nan 0.000 0.443 491 L N -0.533 120.762 121.223 0.119 0.000 2.046 491 L HA -0.191 4.143 4.340 -0.009 0.000 0.208 491 L C 2.502 179.479 176.870 0.178 0.000 1.077 491 L CA 1.318 56.244 54.840 0.144 0.000 0.747 491 L CB -0.538 41.602 42.059 0.136 0.000 0.896 491 L HN 0.395 nan 8.230 nan 0.000 0.432 492 I N -1.020 119.661 120.570 0.185 0.000 2.226 492 I HA -0.332 3.833 4.170 -0.009 0.000 0.245 492 I C 2.504 178.795 176.117 0.290 0.000 1.100 492 I CA 1.432 62.834 61.300 0.170 0.000 1.374 492 I CB -0.346 37.716 38.000 0.103 0.000 1.057 492 I HN 0.171 nan 8.210 nan 0.000 0.413 493 F N 1.625 121.737 119.950 0.271 0.000 2.113 493 F HA -0.252 4.270 4.527 -0.008 0.000 0.297 493 F C 2.696 178.732 175.800 0.393 0.000 1.103 493 F CA 1.893 60.123 58.000 0.383 0.000 1.248 493 F CB -0.561 38.667 39.000 0.380 0.000 0.999 493 F HN 0.011 nan 8.300 nan 0.000 0.475 494 Q N -0.311 119.684 119.800 0.325 0.000 2.077 494 Q HA -0.236 4.099 4.340 -0.009 0.000 0.206 494 Q C 1.985 178.039 176.000 0.090 0.000 0.989 494 Q CA 2.039 58.024 55.803 0.303 0.000 0.853 494 Q CB -0.168 28.799 28.738 0.382 0.000 0.907 494 Q HN 0.335 nan 8.270 nan 0.000 0.418 495 M N 0.078 119.742 119.600 0.107 0.000 2.630 495 M HA -0.037 4.437 4.480 -0.009 0.000 0.254 495 M C 1.365 177.710 176.300 0.074 0.000 1.092 495 M CA 1.223 56.567 55.300 0.073 0.000 1.087 495 M CB -0.323 32.326 32.600 0.082 0.000 1.453 495 M HN 0.323 nan 8.290 nan 0.000 0.509 496 T N -4.521 110.091 114.554 0.096 0.000 3.091 496 T HA 0.151 4.496 4.350 -0.009 0.000 0.277 496 T C 0.046 174.855 174.700 0.182 0.000 0.996 496 T CA -0.446 61.743 62.100 0.149 0.000 0.897 496 T CB -0.023 68.975 68.868 0.216 0.000 1.109 496 T HN 0.085 nan 8.240 nan 0.000 0.534 497 Y N 1.422 121.624 120.300 -0.164 0.000 2.418 497 Y HA 0.640 5.184 4.550 -0.009 0.000 0.327 497 Y C -0.125 175.687 175.900 -0.146 0.000 1.309 497 Y CA -2.022 55.915 58.100 -0.271 0.000 1.423 497 Y CB 1.081 39.150 38.460 -0.652 0.000 1.423 497 Y HN -0.041 nan 8.280 nan 0.000 0.532 498 V N 2.782 122.063 119.914 -1.055 0.000 2.432 498 V HA 0.601 4.716 4.120 -0.009 0.000 0.271 498 V C 0.268 176.044 176.094 -0.529 0.000 1.046 498 V CA 0.557 62.429 62.300 -0.713 0.000 0.945 498 V CB -0.084 31.260 31.823 -0.798 0.000 0.992 498 V HN 1.025 nan 8.190 nan 0.000 0.471 499 G N 3.626 112.228 108.800 -0.330 0.000 2.406 499 G HA2 -0.033 3.922 3.960 -0.009 0.000 0.680 499 G HA3 -0.033 3.922 3.960 -0.009 0.000 0.680 499 G C -0.481 174.262 174.900 -0.261 0.000 1.338 499 G CA -0.726 44.199 45.100 -0.292 0.000 0.941 499 G HN 0.624 nan 8.290 nan 0.000 0.633 500 T N 3.316 117.719 114.554 -0.252 0.000 2.751 500 T HA 0.451 4.796 4.350 -0.009 0.000 0.290 500 T C -2.170 172.405 174.700 -0.209 0.000 0.919 500 T CA -0.140 61.842 62.100 -0.197 0.000 1.136 500 T CB 0.913 69.677 68.868 -0.173 0.000 0.875 500 T HN 0.395 nan 8.240 nan 0.000 0.532 501 P HA 0.181 nan 4.420 nan 0.000 0.267 501 P C -0.468 176.799 177.300 -0.055 0.000 1.209 501 P CA -0.059 62.957 63.100 -0.139 0.000 0.763 501 P CB 0.408 32.079 31.700 -0.048 0.000 0.816 502 T N 4.880 119.410 114.554 -0.040 0.000 2.847 502 T HA 0.472 4.816 4.350 -0.009 0.000 0.291 502 T C 0.130 174.907 174.700 0.129 0.000 0.998 502 T CA -0.341 61.801 62.100 0.071 0.000 0.967 502 T CB 0.343 69.280 68.868 0.115 0.000 0.954 502 T HN 0.179 nan 8.240 nan 0.000 0.441 503 I N 3.775 124.417 120.570 0.121 0.000 2.297 503 I HA 0.221 4.386 4.170 -0.009 0.000 0.291 503 I C -0.457 175.626 176.117 -0.056 0.000 1.033 503 I CA -0.926 60.431 61.300 0.095 0.000 1.253 503 I CB 0.468 38.589 38.000 0.200 0.000 1.396 503 I HN 0.580 nan 8.210 nan 0.000 0.476 504 Y N 9.327 129.550 120.300 -0.128 0.000 2.587 504 Y HA 0.054 4.599 4.550 -0.009 0.000 0.344 504 Y C 0.216 175.934 175.900 -0.304 0.000 1.061 504 Y CA -1.375 56.607 58.100 -0.197 0.000 1.370 504 Y CB -0.277 38.112 38.460 -0.118 0.000 1.163 504 Y HN 0.469 nan 8.280 nan 0.000 0.527 505 Y N 5.056 124.863 120.300 -0.822 0.000 2.996 505 Y HA 0.159 4.704 4.550 -0.009 0.000 0.367 505 Y C 1.066 176.781 175.900 -0.310 0.000 1.251 505 Y CA 0.490 58.207 58.100 -0.638 0.000 1.614 505 Y CB -0.260 37.876 38.460 -0.540 0.000 1.123 505 Y HN 0.951 nan 8.280 nan 0.000 0.571 506 G N 2.867 111.573 108.800 -0.157 0.000 2.308 506 G HA2 -0.352 3.603 3.960 -0.009 0.000 0.221 506 G HA3 -0.352 3.603 3.960 -0.009 0.000 0.221 506 G C 0.687 175.137 174.900 -0.751 0.000 1.032 506 G CA 0.268 44.935 45.100 -0.722 0.000 0.623 506 G HN 0.611 nan 8.290 nan 0.000 0.506 507 D N 1.532 121.703 120.400 -0.383 0.000 2.221 507 D HA -0.021 4.614 4.640 -0.009 0.000 0.204 507 D C 2.480 178.750 176.300 -0.050 0.000 0.982 507 D CA 1.427 55.333 54.000 -0.157 0.000 0.857 507 D CB -0.073 40.720 40.800 -0.013 0.000 0.934 507 D HN 0.755 nan 8.370 nan 0.000 0.475 508 E N 0.360 120.574 120.200 0.023 0.000 2.338 508 E HA -0.200 4.144 4.350 -0.009 0.000 0.197 508 E C 1.167 177.892 176.600 0.208 0.000 1.007 508 E CA 0.847 57.346 56.400 0.165 0.000 0.849 508 E CB -0.489 29.389 29.700 0.297 0.000 0.774 508 E HN 0.573 nan 8.360 nan 0.000 0.506 509 Y N -1.550 118.824 120.300 0.122 0.000 2.557 509 Y HA 0.614 5.158 4.550 -0.009 0.000 0.247 509 Y C 1.110 177.024 175.900 0.022 0.000 1.164 509 Y CA -0.963 57.173 58.100 0.060 0.000 1.218 509 Y CB 0.293 38.740 38.460 -0.022 0.000 1.210 509 Y HN 0.026 nan 8.280 nan 0.000 0.529 510 G N 1.380 110.246 108.800 0.111 0.000 2.142 510 G HA2 -0.310 3.645 3.960 -0.009 0.000 0.225 510 G HA3 -0.310 3.645 3.960 -0.009 0.000 0.225 510 G C 0.108 175.047 174.900 0.065 0.000 1.015 510 G CA 0.066 45.231 45.100 0.108 0.000 0.716 510 G HN 0.583 nan 8.290 nan 0.000 0.508 511 M N 0.550 120.041 119.600 -0.182 0.000 2.260 511 M HA 0.254 4.729 4.480 -0.009 0.000 0.348 511 M C 0.778 177.028 176.300 -0.083 0.000 1.342 511 M CA 0.643 55.860 55.300 -0.139 0.000 1.040 511 M CB 0.270 32.570 32.600 -0.501 0.000 1.810 511 M HN 0.455 nan 8.290 nan 0.000 0.453 512 Q N 2.482 122.264 119.800 -0.029 0.000 2.166 512 Q HA 0.851 5.186 4.340 -0.009 0.000 0.226 512 Q C -0.362 175.617 176.000 -0.037 0.000 0.989 512 Q CA -0.576 55.215 55.803 -0.019 0.000 0.966 512 Q CB 1.926 30.663 28.738 -0.002 0.000 1.173 512 Q HN 0.959 nan 8.270 nan 0.000 0.509 513 G N -1.150 107.644 108.800 -0.010 0.000 2.322 513 G HA2 0.359 4.313 3.960 -0.009 0.000 0.289 513 G HA3 0.359 4.313 3.960 -0.009 0.000 0.289 513 G C -0.693 174.222 174.900 0.024 0.000 1.687 513 G CA -0.490 44.607 45.100 -0.004 0.000 0.944 513 G HN 0.679 nan 8.290 nan 0.000 0.718 514 G N -0.046 108.780 108.800 0.044 0.000 2.666 514 G HA2 0.834 4.789 3.960 -0.009 0.000 0.207 514 G HA3 0.834 4.789 3.960 -0.009 0.000 0.207 514 G C 0.894 175.827 174.900 0.055 0.000 1.481 514 G CA 0.610 45.745 45.100 0.060 0.000 1.071 514 G HN 1.894 nan 8.290 nan 0.000 0.572 515 A N -0.750 122.110 122.820 0.067 0.000 2.346 515 A HA 0.432 4.747 4.320 -0.009 0.000 0.252 515 A C 0.367 177.962 177.584 0.019 0.000 1.089 515 A CA -0.088 51.983 52.037 0.056 0.000 0.797 515 A CB 0.053 19.094 19.000 0.068 0.000 1.047 515 A HN 0.613 nan 8.150 nan 0.000 0.494 516 D N 0.640 121.039 120.400 -0.001 0.000 2.752 516 D HA -0.019 4.616 4.640 -0.009 0.000 0.225 516 D C -1.299 174.965 176.300 -0.061 0.000 1.104 516 D CA -0.292 53.681 54.000 -0.044 0.000 0.832 516 D CB 0.668 41.451 40.800 -0.029 0.000 1.161 516 D HN 0.276 nan 8.370 nan 0.000 0.505 517 P HA 0.084 nan 4.420 nan 0.000 0.262 517 P C 0.358 177.474 177.300 -0.306 0.000 1.304 517 P CA -0.089 62.873 63.100 -0.229 0.000 0.859 517 P CB 0.445 32.009 31.700 -0.227 0.000 1.310 518 D N 1.551 121.774 120.400 -0.296 0.000 2.378 518 D HA -0.113 4.522 4.640 -0.009 0.000 0.222 518 D C 1.355 177.581 176.300 -0.124 0.000 0.980 518 D CA 0.758 54.627 54.000 -0.219 0.000 0.907 518 D CB -0.526 40.258 40.800 -0.028 0.000 0.899 518 D HN 0.374 nan 8.370 nan 0.000 0.527 519 N N -0.826 117.814 118.700 -0.100 0.000 2.322 519 N HA 0.030 4.765 4.740 -0.009 0.000 0.194 519 N C 0.398 175.876 175.510 -0.054 0.000 1.126 519 N CA -0.212 52.822 53.050 -0.028 0.000 0.845 519 N CB 0.338 38.853 38.487 0.047 0.000 0.976 519 N HN -0.034 nan 8.380 nan 0.000 0.475 520 R N 0.999 121.375 120.500 -0.207 0.000 2.816 520 R HA 0.252 4.587 4.340 -0.009 0.000 0.382 520 R C -0.359 175.746 176.300 -0.325 0.000 1.140 520 R CA -0.495 55.410 56.100 -0.325 0.000 1.050 520 R CB 0.485 30.320 30.300 -0.776 0.000 1.396 520 R HN 0.122 nan 8.270 nan 0.000 0.583 521 R N 1.076 121.407 120.500 -0.283 0.000 2.738 521 R HA 0.079 4.414 4.340 -0.009 0.000 0.268 521 R C 0.537 176.612 176.300 -0.375 0.000 1.062 521 R CA 0.132 56.011 56.100 -0.368 0.000 1.158 521 R CB 0.415 30.561 30.300 -0.256 0.000 1.046 521 R HN 0.187 nan 8.270 nan 0.000 0.493 522 S N 1.069 116.355 115.700 -0.690 0.000 2.579 522 S HA 0.063 4.528 4.470 -0.009 0.000 0.275 522 S C -0.176 174.299 174.600 -0.208 0.000 1.345 522 S CA -0.669 57.089 58.200 -0.737 0.000 1.031 522 S CB 0.427 62.714 63.200 -1.522 0.000 0.892 522 S HN 0.446 nan 8.310 nan 0.000 0.529 523 F N 1.804 121.743 119.950 -0.019 0.000 2.438 523 F HA 0.244 4.765 4.527 -0.009 0.000 0.356 523 F C 0.510 176.339 175.800 0.047 0.000 1.099 523 F CA -0.481 57.563 58.000 0.074 0.000 1.185 523 F CB 0.664 39.694 39.000 0.050 0.000 1.115 523 F HN 0.659 nan 8.300 nan 0.000 0.526 524 D N 6.009 126.152 120.400 -0.427 0.000 2.422 524 D HA -0.010 4.625 4.640 -0.009 0.000 0.227 524 D C 0.382 176.371 176.300 -0.517 0.000 1.190 524 D CA -0.136 53.670 54.000 -0.323 0.000 0.905 524 D CB 0.257 40.799 40.800 -0.430 0.000 1.034 524 D HN 0.671 nan 8.370 nan 0.000 0.507 525 W N 1.966 123.303 121.300 0.061 0.000 2.525 525 W HA -0.148 4.508 4.660 -0.007 0.000 0.259 525 W C 2.549 179.008 176.519 -0.100 0.000 1.253 525 W CA 0.668 58.018 57.345 0.008 0.000 1.262 525 W CB 0.054 29.526 29.460 0.020 0.000 1.122 525 W HN 0.453 nan 8.180 nan 0.000 0.607 526 S N -0.912 114.812 115.700 0.040 0.000 2.461 526 S HA -0.141 4.323 4.470 -0.009 0.000 0.228 526 S C 1.623 176.153 174.600 -0.117 0.000 1.005 526 S CA 0.892 59.086 58.200 -0.010 0.000 0.942 526 S CB -0.142 63.049 63.200 -0.016 0.000 0.776 526 S HN 0.180 nan 8.310 nan 0.000 0.514 527 Q N 1.262 120.874 119.800 -0.312 0.000 2.320 527 Q HA 0.504 4.839 4.340 -0.009 0.000 0.201 527 Q C 0.275 176.059 176.000 -0.360 0.000 0.910 527 Q CA 0.240 55.772 55.803 -0.452 0.000 0.946 527 Q CB 0.186 28.399 28.738 -0.875 0.000 1.062 527 Q HN 0.647 nan 8.270 nan 0.000 0.503 528 A N 0.623 123.336 122.820 -0.178 0.000 3.158 528 A HA 0.568 4.883 4.320 -0.009 0.000 0.319 528 A C -0.473 177.247 177.584 0.227 0.000 1.204 528 A CA -0.126 51.961 52.037 0.082 0.000 0.992 528 A CB -0.360 18.582 19.000 -0.096 0.000 1.110 528 A HN 0.215 nan 8.150 nan 0.000 0.519 529 T N -2.491 112.185 114.554 0.203 0.000 2.868 529 T HA 0.575 4.920 4.350 -0.009 0.000 0.306 529 T C -2.628 172.167 174.700 0.158 0.000 1.224 529 T CA -1.371 60.846 62.100 0.195 0.000 1.012 529 T CB 1.958 70.893 68.868 0.111 0.000 1.221 529 T HN -0.024 nan 8.240 nan 0.000 0.499 530 P HA -0.007 nan 4.420 nan 0.000 0.234 530 P C 1.120 178.459 177.300 0.066 0.000 1.162 530 P CA 0.510 63.666 63.100 0.093 0.000 0.759 530 P CB -0.116 31.627 31.700 0.071 0.000 0.813 531 S N -0.929 114.808 115.700 0.062 0.000 2.522 531 S HA -0.026 4.439 4.470 -0.009 0.000 0.227 531 S C 1.080 175.704 174.600 0.040 0.000 0.986 531 S CA -0.029 58.195 58.200 0.040 0.000 0.929 531 S CB -0.607 62.611 63.200 0.031 0.000 0.769 531 S HN 0.296 nan 8.310 nan 0.000 0.529 532 N N 1.458 120.194 118.700 0.058 0.000 2.455 532 N HA 0.083 4.818 4.740 -0.009 0.000 0.280 532 N C 1.073 176.633 175.510 0.083 0.000 1.055 532 N CA 0.225 53.315 53.050 0.067 0.000 0.961 532 N CB 1.544 40.081 38.487 0.083 0.000 1.121 532 N HN 0.163 nan 8.380 nan 0.000 0.476 533 S N 3.440 119.192 115.700 0.086 0.000 2.370 533 S HA -0.181 4.284 4.470 -0.009 0.000 0.226 533 S C 1.856 176.500 174.600 0.073 0.000 1.033 533 S CA 1.154 59.388 58.200 0.057 0.000 1.011 533 S CB -0.344 62.922 63.200 0.111 0.000 0.852 533 S HN 0.638 nan 8.310 nan 0.000 0.457 534 A N 1.404 124.361 122.820 0.229 0.000 1.897 534 A HA 0.175 4.489 4.320 -0.009 0.000 0.215 534 A C 2.429 180.119 177.584 0.177 0.000 1.181 534 A CA 1.287 53.484 52.037 0.268 0.000 0.620 534 A CB -1.044 18.147 19.000 0.318 0.000 0.821 534 A HN 0.423 nan 8.150 nan 0.000 0.443 535 V N 0.120 120.150 119.914 0.194 0.000 2.287 535 V HA -0.288 3.826 4.120 -0.009 0.000 0.248 535 V C 3.072 179.238 176.094 0.119 0.000 1.053 535 V CA 2.044 64.463 62.300 0.197 0.000 1.027 535 V CB -1.246 30.729 31.823 0.253 0.000 0.646 535 V HN 0.607 nan 8.190 nan 0.000 0.447 536 A N -0.374 122.495 122.820 0.081 0.000 1.902 536 A HA -0.208 4.107 4.320 -0.009 0.000 0.217 536 A C 2.161 179.750 177.584 0.009 0.000 1.181 536 A CA 2.149 54.207 52.037 0.036 0.000 0.623 536 A CB -0.563 18.444 19.000 0.011 0.000 0.818 536 A HN 0.456 nan 8.150 nan 0.000 0.443 537 L N -0.300 120.914 121.223 -0.016 0.000 2.056 537 L HA -0.079 4.256 4.340 -0.009 0.000 0.207 537 L C 2.457 179.336 176.870 0.014 0.000 1.078 537 L CA 2.732 57.548 54.840 -0.040 0.000 0.749 537 L CB -1.080 40.909 42.059 -0.116 0.000 0.901 537 L HN 0.373 nan 8.230 nan 0.000 0.433 538 T N -0.718 113.869 114.554 0.055 0.000 2.684 538 T HA -0.285 4.059 4.350 -0.009 0.000 0.267 538 T C 1.738 176.465 174.700 0.045 0.000 1.036 538 T CA 1.834 63.977 62.100 0.071 0.000 1.148 538 T CB -0.263 68.669 68.868 0.107 0.000 0.863 538 T HN 0.505 nan 8.240 nan 0.000 0.436 539 Q N 0.910 120.730 119.800 0.034 0.000 2.096 539 Q HA -0.184 4.151 4.340 -0.009 0.000 0.204 539 Q C 2.372 178.381 176.000 0.015 0.000 0.982 539 Q CA 1.609 57.419 55.803 0.013 0.000 0.850 539 Q CB -0.127 28.617 28.738 0.010 0.000 0.901 539 Q HN 0.453 nan 8.270 nan 0.000 0.422 540 K N 0.148 120.557 120.400 0.015 0.000 2.026 540 K HA -0.148 4.167 4.320 -0.009 0.000 0.208 540 K C 2.193 178.809 176.600 0.027 0.000 1.048 540 K CA 1.300 57.596 56.287 0.015 0.000 0.929 540 K CB -0.144 32.359 32.500 0.004 0.000 0.713 540 K HN 0.269 nan 8.250 nan 0.000 0.439 541 L N 0.820 122.060 121.223 0.029 0.000 2.046 541 L HA -0.192 4.143 4.340 -0.009 0.000 0.208 541 L C 2.433 179.333 176.870 0.051 0.000 1.077 541 L CA 1.115 55.981 54.840 0.043 0.000 0.747 541 L CB -0.360 41.727 42.059 0.047 0.000 0.896 541 L HN 0.251 nan 8.230 nan 0.000 0.432 542 I N -0.628 119.967 120.570 0.042 0.000 2.226 542 I HA -0.272 3.892 4.170 -0.009 0.000 0.245 542 I C 2.500 178.635 176.117 0.031 0.000 1.100 542 I CA 1.471 62.793 61.300 0.037 0.000 1.374 542 I CB -0.492 37.523 38.000 0.024 0.000 1.057 542 I HN 0.262 nan 8.210 nan 0.000 0.413 543 T N 1.240 115.808 114.554 0.023 0.000 2.746 543 T HA -0.135 4.210 4.350 -0.009 0.000 0.267 543 T C 1.912 176.628 174.700 0.026 0.000 1.039 543 T CA 1.377 63.485 62.100 0.013 0.000 1.142 543 T CB -0.248 68.624 68.868 0.008 0.000 0.866 543 T HN 0.237 nan 8.240 nan 0.000 0.444 544 I N 0.550 121.160 120.570 0.066 0.000 2.142 544 I HA -0.185 3.980 4.170 -0.009 0.000 0.240 544 I C 2.842 179.067 176.117 0.181 0.000 1.078 544 I CA 1.351 62.738 61.300 0.145 0.000 1.343 544 I CB -0.366 37.726 38.000 0.153 0.000 1.046 544 I HN 0.122 nan 8.210 nan 0.000 0.405 545 R N 1.272 121.845 120.500 0.122 0.000 2.091 545 R HA -0.194 4.140 4.340 -0.009 0.000 0.238 545 R C 1.951 178.297 176.300 0.077 0.000 1.136 545 R CA 2.135 58.302 56.100 0.112 0.000 0.959 545 R CB -0.326 30.015 30.300 0.069 0.000 0.856 545 R HN 0.446 nan 8.270 nan 0.000 0.437 546 N N -0.210 118.511 118.700 0.036 0.000 2.364 546 N HA -0.197 4.538 4.740 -0.009 0.000 0.183 546 N C 1.764 177.245 175.510 -0.049 0.000 1.022 546 N CA 0.832 53.883 53.050 0.002 0.000 0.883 546 N CB 0.039 38.525 38.487 -0.002 0.000 0.965 546 N HN 0.367 nan 8.380 nan 0.000 0.438 547 Q N -0.130 119.606 119.800 -0.107 0.000 2.212 547 Q HA -0.036 4.298 4.340 -0.009 0.000 0.199 547 Q C -0.472 175.263 176.000 -0.441 0.000 0.950 547 Q CA 0.767 56.376 55.803 -0.322 0.000 0.863 547 Q CB 0.379 28.812 28.738 -0.508 0.000 0.944 547 Q HN 0.396 nan 8.270 nan 0.000 0.465 548 Y N -0.237 120.068 120.300 0.009 0.000 2.478 548 Y HA 0.296 4.842 4.550 -0.007 0.000 0.329 548 Y C -1.925 173.977 175.900 0.002 0.000 0.967 548 Y CA -2.524 55.581 58.100 0.008 0.000 1.255 548 Y CB 1.571 40.041 38.460 0.016 0.000 1.103 548 Y HN 0.140 nan 8.280 nan 0.000 0.497 549 P HA -0.240 nan 4.420 nan 0.000 0.219 549 P C 1.371 178.703 177.300 0.053 0.000 1.146 549 P CA 1.801 64.933 63.100 0.054 0.000 0.808 549 P CB 0.364 32.077 31.700 0.023 0.000 0.779 550 A N -0.670 122.203 122.820 0.089 0.000 2.024 550 A HA -0.161 4.154 4.320 -0.009 0.000 0.220 550 A C 2.061 179.672 177.584 0.044 0.000 1.164 550 A CA 1.302 53.369 52.037 0.050 0.000 0.643 550 A CB -1.532 17.510 19.000 0.070 0.000 0.806 550 A HN 0.171 nan 8.150 nan 0.000 0.451 551 L N -1.906 119.363 121.223 0.078 0.000 2.291 551 L HA -0.077 4.258 4.340 -0.009 0.000 0.214 551 L C 2.684 179.567 176.870 0.021 0.000 1.120 551 L CA 0.983 55.862 54.840 0.066 0.000 0.799 551 L CB -0.237 41.881 42.059 0.097 0.000 0.925 551 L HN 0.302 nan 8.230 nan 0.000 0.446 552 R N -0.754 119.748 120.500 0.005 0.000 2.123 552 R HA 0.019 4.354 4.340 -0.009 0.000 0.209 552 R C 1.638 177.897 176.300 -0.068 0.000 1.078 552 R CA 1.405 57.481 56.100 -0.040 0.000 1.028 552 R CB -0.004 30.277 30.300 -0.032 0.000 0.939 552 R HN 0.284 nan 8.270 nan 0.000 0.463 553 T N -3.267 111.255 114.554 -0.053 0.000 3.209 553 T HA 0.346 4.691 4.350 -0.009 0.000 0.295 553 T C 0.742 175.402 174.700 -0.068 0.000 0.977 553 T CA -0.265 61.794 62.100 -0.070 0.000 0.922 553 T CB 0.808 69.634 68.868 -0.071 0.000 1.152 553 T HN 0.167 nan 8.240 nan 0.000 0.527 554 G N 1.143 109.907 108.800 -0.061 0.000 2.588 554 G HA2 0.508 4.462 3.960 -0.009 0.000 0.281 554 G HA3 0.508 4.462 3.960 -0.009 0.000 0.281 554 G C -0.159 174.658 174.900 -0.138 0.000 1.236 554 G CA -0.545 44.489 45.100 -0.111 0.000 0.969 554 G HN 0.334 nan 8.290 nan 0.000 0.504 555 S N -1.269 114.229 115.700 -0.336 0.000 2.596 555 S HA 0.400 4.864 4.470 -0.009 0.000 0.260 555 S C -0.832 173.730 174.600 -0.063 0.000 1.336 555 S CA 0.104 58.139 58.200 -0.275 0.000 0.993 555 S CB 0.732 63.531 63.200 -0.669 0.000 0.923 555 S HN 0.430 nan 8.310 nan 0.000 0.567 556 F N 2.016 122.015 119.950 0.082 0.000 2.539 556 F HA 0.642 5.164 4.527 -0.009 0.000 0.318 556 F C -0.623 175.390 175.800 0.354 0.000 1.135 556 F CA -0.715 57.396 58.000 0.185 0.000 0.915 556 F CB 1.138 40.185 39.000 0.077 0.000 1.176 556 F HN 0.453 nan 8.300 nan 0.000 0.440 557 M N 5.920 125.503 119.600 -0.029 0.000 2.267 557 M HA 0.373 4.848 4.480 -0.009 0.000 0.289 557 M C -1.253 174.980 176.300 -0.113 0.000 1.043 557 M CA -0.265 55.082 55.300 0.079 0.000 0.928 557 M CB 1.957 34.424 32.600 -0.222 0.000 1.613 557 M HN 0.624 nan 8.290 nan 0.000 0.450 558 T N 5.306 119.942 114.554 0.136 0.000 2.901 558 T HA 0.295 4.640 4.350 -0.009 0.000 0.301 558 T C 0.964 175.681 174.700 0.028 0.000 1.012 558 T CA -0.086 62.101 62.100 0.145 0.000 1.135 558 T CB 0.697 69.759 68.868 0.324 0.000 0.936 558 T HN 0.674 nan 8.240 nan 0.000 0.539 559 L N 2.221 123.433 121.223 -0.018 0.000 2.600 559 L HA 0.486 4.821 4.340 -0.009 0.000 0.213 559 L C 0.187 177.064 176.870 0.012 0.000 1.045 559 L CA 0.323 55.117 54.840 -0.077 0.000 0.863 559 L CB 0.374 42.327 42.059 -0.177 0.000 1.189 559 L HN 0.492 nan 8.230 nan 0.000 0.484 560 I N 0.027 120.647 120.570 0.082 0.000 2.644 560 I HA 0.216 4.381 4.170 -0.009 0.000 0.291 560 I C -0.863 175.430 176.117 0.293 0.000 1.180 560 I CA -0.264 61.125 61.300 0.149 0.000 1.040 560 I CB 2.384 40.447 38.000 0.105 0.000 1.255 560 I HN -0.063 nan 8.210 nan 0.000 0.422 561 T N -0.386 114.315 114.554 0.246 0.000 3.226 561 T HA 0.276 4.621 4.350 -0.009 0.000 0.378 561 T C -0.850 173.955 174.700 0.175 0.000 1.380 561 T CA -0.659 61.589 62.100 0.247 0.000 1.396 561 T CB 0.477 69.460 68.868 0.191 0.000 1.044 561 T HN 0.399 nan 8.240 nan 0.000 0.586 562 D N 1.796 122.302 120.400 0.178 0.000 2.396 562 D HA 0.258 4.893 4.640 -0.009 0.000 0.225 562 D C 0.351 176.722 176.300 0.118 0.000 1.121 562 D CA -0.543 53.528 54.000 0.118 0.000 0.853 562 D CB 1.104 41.950 40.800 0.078 0.000 1.043 562 D HN 0.279 nan 8.370 nan 0.000 0.500 563 D N 2.026 122.488 120.400 0.103 0.000 2.317 563 D HA -0.071 4.564 4.640 -0.009 0.000 0.211 563 D C 1.429 177.767 176.300 0.064 0.000 0.966 563 D CA 0.685 54.746 54.000 0.101 0.000 0.876 563 D CB 0.441 41.295 40.800 0.091 0.000 0.927 563 D HN 0.411 nan 8.370 nan 0.000 0.519 564 T N 1.145 115.721 114.554 0.037 0.000 2.612 564 T HA -0.077 4.268 4.350 -0.009 0.000 0.259 564 T C 1.483 176.168 174.700 -0.025 0.000 1.065 564 T CA 0.784 62.890 62.100 0.011 0.000 1.167 564 T CB -0.091 68.778 68.868 0.001 0.000 0.863 564 T HN 0.113 nan 8.240 nan 0.000 0.407 565 N N 1.121 119.753 118.700 -0.114 0.000 2.398 565 N HA 0.061 4.795 4.740 -0.009 0.000 0.188 565 N C -0.159 175.259 175.510 -0.154 0.000 1.122 565 N CA 0.221 53.063 53.050 -0.347 0.000 0.866 565 N CB 0.065 38.079 38.487 -0.787 0.000 0.970 565 N HN 0.486 nan 8.380 nan 0.000 0.462 566 K N 0.525 120.932 120.400 0.013 0.000 3.162 566 K HA -0.136 4.179 4.320 -0.009 0.000 0.268 566 K C -0.804 175.928 176.600 0.221 0.000 1.062 566 K CA 0.507 56.870 56.287 0.127 0.000 0.769 566 K CB -1.155 31.380 32.500 0.059 0.000 1.274 566 K HN 0.155 nan 8.250 nan 0.000 0.478 567 I N 1.062 121.762 120.570 0.216 0.000 2.377 567 I HA 0.255 4.419 4.170 -0.009 0.000 0.293 567 I C -0.060 176.315 176.117 0.429 0.000 0.987 567 I CA -0.431 61.040 61.300 0.284 0.000 1.185 567 I CB 1.025 39.109 38.000 0.141 0.000 1.341 567 I HN 0.131 nan 8.210 nan 0.000 0.455 568 Y N 4.925 125.435 120.300 0.349 0.000 2.331 568 Y HA 0.474 5.019 4.550 -0.009 0.000 0.334 568 Y C -0.317 175.724 175.900 0.235 0.000 0.960 568 Y CA -0.371 57.908 58.100 0.299 0.000 1.130 568 Y CB 1.622 40.259 38.460 0.294 0.000 1.164 568 Y HN 0.608 nan 8.280 nan 0.000 0.458 569 S N 6.070 121.753 115.700 -0.028 0.000 2.521 569 S HA 0.689 5.153 4.470 -0.009 0.000 0.295 569 S C -1.711 172.679 174.600 -0.351 0.000 1.098 569 S CA -0.355 57.686 58.200 -0.265 0.000 0.999 569 S CB 0.794 63.912 63.200 -0.136 0.000 1.034 569 S HN 0.696 nan 8.310 nan 0.000 0.483 570 Y N 0.365 120.405 120.300 -0.433 0.000 2.597 570 Y HA 0.847 5.392 4.550 -0.009 0.000 0.340 570 Y C -0.103 175.540 175.900 -0.428 0.000 1.097 570 Y CA -1.181 56.605 58.100 -0.524 0.000 1.037 570 Y CB 0.685 38.654 38.460 -0.819 0.000 1.305 570 Y HN 0.718 nan 8.280 nan 0.000 0.463 571 G N 1.543 110.176 108.800 -0.277 0.000 2.432 571 G HA2 0.714 4.669 3.960 -0.009 0.000 0.331 571 G HA3 0.714 4.669 3.960 -0.009 0.000 0.331 571 G C -1.326 173.596 174.900 0.037 0.000 1.170 571 G CA -1.292 43.706 45.100 -0.170 0.000 0.943 571 G HN 0.471 nan 8.290 nan 0.000 0.483 572 R N 0.287 120.871 120.500 0.140 0.000 2.513 572 R HA 0.571 4.906 4.340 -0.009 0.000 0.301 572 R C -1.228 175.242 176.300 0.283 0.000 0.968 572 R CA -0.767 55.444 56.100 0.184 0.000 0.872 572 R CB 1.168 31.538 30.300 0.116 0.000 1.177 572 R HN 0.679 nan 8.270 nan 0.000 0.444 573 F N -0.688 119.243 119.950 -0.031 0.000 2.678 573 F HA 0.643 5.165 4.527 -0.009 0.000 0.308 573 F C -0.934 174.861 175.800 -0.008 0.000 1.118 573 F CA -1.129 56.849 58.000 -0.036 0.000 0.959 573 F CB 1.689 40.647 39.000 -0.071 0.000 1.305 573 F HN 0.417 nan 8.300 nan 0.000 0.443 574 D N -0.762 119.661 120.400 0.039 0.000 2.958 574 D HA 0.269 4.903 4.640 -0.009 0.000 0.306 574 D C -0.378 175.915 176.300 -0.012 0.000 1.226 574 D CA -0.768 53.194 54.000 -0.064 0.000 1.032 574 D CB 0.307 41.070 40.800 -0.061 0.000 1.400 574 D HN 0.598 nan 8.370 nan 0.000 0.587 575 N N -1.105 117.558 118.700 -0.062 0.000 2.364 575 N HA -0.061 4.674 4.740 -0.009 0.000 0.183 575 N C 1.305 176.809 175.510 -0.010 0.000 1.022 575 N CA 0.904 53.919 53.050 -0.059 0.000 0.883 575 N CB 0.258 38.695 38.487 -0.083 0.000 0.965 575 N HN 0.116 nan 8.380 nan 0.000 0.438 576 V N 0.037 119.960 119.914 0.016 0.000 2.599 576 V HA 0.058 4.173 4.120 -0.009 0.000 0.237 576 V C 0.284 176.421 176.094 0.071 0.000 1.081 576 V CA 0.769 63.093 62.300 0.040 0.000 1.107 576 V CB -0.143 31.706 31.823 0.043 0.000 0.808 576 V HN 0.174 nan 8.190 nan 0.000 0.486 577 N N -0.091 118.666 118.700 0.095 0.000 2.443 577 N HA 0.657 5.392 4.740 -0.009 0.000 0.293 577 N C -0.671 174.889 175.510 0.084 0.000 1.159 577 N CA -0.578 52.532 53.050 0.099 0.000 0.904 577 N CB 1.262 39.845 38.487 0.161 0.000 1.214 577 N HN 0.169 nan 8.380 nan 0.000 0.513 578 R N 1.091 121.606 120.500 0.025 0.000 2.483 578 R HA 0.527 4.862 4.340 -0.009 0.000 0.303 578 R C -1.157 175.092 176.300 -0.086 0.000 0.987 578 R CA -0.424 55.679 56.100 0.004 0.000 0.881 578 R CB 1.248 31.524 30.300 -0.040 0.000 1.177 578 R HN 0.481 nan 8.270 nan 0.000 0.451 579 I N 1.907 122.421 120.570 -0.093 0.000 2.466 579 I HA 0.499 4.664 4.170 -0.009 0.000 0.289 579 I C -0.340 175.675 176.117 -0.170 0.000 1.026 579 I CA -0.915 60.286 61.300 -0.165 0.000 1.078 579 I CB 2.231 40.104 38.000 -0.212 0.000 1.249 579 I HN 0.586 nan 8.210 nan 0.000 0.429 580 A N 6.602 129.303 122.820 -0.199 0.000 2.256 580 A HA 0.700 5.014 4.320 -0.009 0.000 0.317 580 A C -0.530 176.877 177.584 -0.294 0.000 1.318 580 A CA -0.491 51.395 52.037 -0.253 0.000 0.894 580 A CB 0.803 19.672 19.000 -0.217 0.000 1.165 580 A HN 0.458 nan 8.150 nan 0.000 0.525 581 V N 3.541 123.168 119.914 -0.477 0.000 2.432 581 V HA 0.354 4.469 4.120 -0.009 0.000 0.275 581 V C -0.147 175.657 176.094 -0.484 0.000 1.043 581 V CA -0.282 61.699 62.300 -0.532 0.000 0.925 581 V CB 1.365 32.651 31.823 -0.894 0.000 0.985 581 V HN 0.588 nan 8.190 nan 0.000 0.466 582 V N 6.917 126.694 119.914 -0.227 0.000 2.350 582 V HA 0.478 4.593 4.120 -0.009 0.000 0.285 582 V C -0.265 175.859 176.094 0.049 0.000 1.014 582 V CA -0.450 61.794 62.300 -0.093 0.000 0.831 582 V CB 1.395 33.186 31.823 -0.053 0.000 1.000 582 V HN 0.622 nan 8.190 nan 0.000 0.433 583 L N 4.146 125.476 121.223 0.178 0.000 2.322 583 L HA 0.607 4.941 4.340 -0.009 0.000 0.281 583 L C -0.084 177.011 176.870 0.376 0.000 1.014 583 L CA -0.474 54.574 54.840 0.347 0.000 0.815 583 L CB 1.807 44.226 42.059 0.600 0.000 1.247 583 L HN 0.521 nan 8.230 nan 0.000 0.421 584 N N 2.593 121.481 118.700 0.314 0.000 2.546 584 N HA 0.109 4.844 4.740 -0.009 0.000 0.238 584 N C -0.151 175.464 175.510 0.174 0.000 0.984 584 N CA -0.016 53.191 53.050 0.262 0.000 0.935 584 N CB 0.878 39.518 38.487 0.254 0.000 1.122 584 N HN 0.637 nan 8.380 nan 0.000 0.510 585 N N 2.338 121.070 118.700 0.053 0.000 2.322 585 N HA -0.049 4.686 4.740 -0.009 0.000 0.194 585 N C -0.549 174.847 175.510 -0.190 0.000 1.126 585 N CA -0.204 52.716 53.050 -0.217 0.000 0.845 585 N CB 0.349 38.310 38.487 -0.877 0.000 0.976 585 N HN 0.515 nan 8.380 nan 0.000 0.475 586 D N -0.479 119.844 120.400 -0.127 0.000 2.388 586 D HA 0.099 4.734 4.640 -0.009 0.000 0.254 586 D C 0.859 176.861 176.300 -0.496 0.000 1.111 586 D CA -0.234 53.656 54.000 -0.182 0.000 0.993 586 D CB 1.626 42.489 40.800 0.104 0.000 1.118 586 D HN 0.143 nan 8.370 nan 0.000 0.502 587 S N -0.771 114.672 115.700 -0.429 0.000 2.593 587 S HA 0.217 4.682 4.470 -0.009 0.000 0.217 587 S C 0.641 175.035 174.600 -0.344 0.000 0.966 587 S CA -0.283 57.632 58.200 -0.476 0.000 0.914 587 S CB -0.640 62.388 63.200 -0.287 0.000 0.776 587 S HN 0.350 nan 8.310 nan 0.000 0.523 588 V N -2.223 117.505 119.914 -0.310 0.000 3.040 588 V HA 0.759 4.874 4.120 -0.009 0.000 0.312 588 V C 0.023 175.873 176.094 -0.407 0.000 1.115 588 V CA -1.037 61.066 62.300 -0.328 0.000 0.998 588 V CB 1.275 32.910 31.823 -0.312 0.000 1.042 588 V HN 0.131 nan 8.190 nan 0.000 0.433 589 S N 0.934 116.442 115.700 -0.320 0.000 2.579 589 S HA 0.456 4.921 4.470 -0.009 0.000 0.275 589 S C -0.500 173.873 174.600 -0.379 0.000 1.345 589 S CA 0.252 58.319 58.200 -0.221 0.000 1.031 589 S CB -0.249 62.892 63.200 -0.098 0.000 0.892 589 S HN 0.994 nan 8.310 nan 0.000 0.529 590 H N 0.302 119.394 119.070 0.036 0.000 2.865 590 H HA 0.328 4.878 4.556 -0.009 0.000 0.362 590 H C -0.826 174.529 175.328 0.045 0.000 1.114 590 H CA -0.752 55.318 56.048 0.037 0.000 1.208 590 H CB 1.859 31.647 29.762 0.043 0.000 1.727 590 H HN 0.510 nan 8.280 nan 0.000 0.534 591 T N 3.287 117.947 114.554 0.176 0.000 2.744 591 T HA 0.354 4.698 4.350 -0.009 0.000 0.291 591 T C -0.294 174.457 174.700 0.086 0.000 0.957 591 T CA -0.591 61.570 62.100 0.103 0.000 1.002 591 T CB 0.382 69.296 68.868 0.076 0.000 0.919 591 T HN 0.151 nan 8.240 nan 0.000 0.468 592 V N 4.433 124.379 119.914 0.054 0.000 2.513 592 V HA 0.404 4.519 4.120 -0.009 0.000 0.299 592 V C 0.017 176.114 176.094 0.005 0.000 1.035 592 V CA -1.164 61.156 62.300 0.034 0.000 0.889 592 V CB 1.758 33.602 31.823 0.034 0.000 0.988 592 V HN 0.747 nan 8.190 nan 0.000 0.440 593 N N 3.060 121.772 118.700 0.020 0.000 2.558 593 N HA 0.291 5.026 4.740 -0.009 0.000 0.233 593 N C -0.540 174.982 175.510 0.020 0.000 1.038 593 N CA -0.134 52.930 53.050 0.023 0.000 0.934 593 N CB 1.683 40.200 38.487 0.049 0.000 1.175 593 N HN 0.442 nan 8.380 nan 0.000 0.512 594 V N 4.299 124.204 119.914 -0.015 0.000 2.455 594 V HA 0.167 4.282 4.120 -0.009 0.000 0.273 594 V C -1.562 174.517 176.094 -0.025 0.000 1.045 594 V CA -1.224 61.051 62.300 -0.042 0.000 0.976 594 V CB 1.044 32.812 31.823 -0.092 0.000 0.993 594 V HN 0.439 nan 8.190 nan 0.000 0.475 595 P HA 0.062 nan 4.420 nan 0.000 0.230 595 P C 0.937 178.025 177.300 -0.353 0.000 1.791 595 P CA 0.014 63.034 63.100 -0.132 0.000 1.020 595 P CB 0.465 32.040 31.700 -0.208 0.000 1.977 596 V N -1.261 118.571 119.914 -0.137 0.000 3.026 596 V HA -0.144 3.971 4.120 -0.009 0.000 0.265 596 V C 2.027 178.066 176.094 -0.092 0.000 1.121 596 V CA 0.566 62.779 62.300 -0.145 0.000 1.142 596 V CB -1.682 30.108 31.823 -0.055 0.000 0.730 596 V HN 0.420 nan 8.190 nan 0.000 0.503 597 W N 0.015 121.326 121.300 0.019 0.000 2.425 597 W HA -0.057 4.597 4.660 -0.009 0.000 0.277 597 W C 1.757 178.370 176.519 0.156 0.000 1.231 597 W CA 0.776 58.168 57.345 0.077 0.000 1.248 597 W CB -1.006 28.503 29.460 0.082 0.000 1.117 597 W HN 0.288 nan 8.180 nan 0.000 0.568 598 Q N 0.803 120.230 119.800 -0.623 0.000 2.226 598 Q HA -0.111 4.224 4.340 -0.009 0.000 0.204 598 Q C 1.932 177.644 176.000 -0.481 0.000 0.975 598 Q CA 1.041 56.491 55.803 -0.588 0.000 0.866 598 Q CB -0.266 27.965 28.738 -0.844 0.000 0.915 598 Q HN 0.328 nan 8.270 nan 0.000 0.440 599 L N -0.164 120.778 121.223 -0.468 0.000 2.592 599 L HA 0.121 4.456 4.340 -0.009 0.000 0.227 599 L C 0.470 177.150 176.870 -0.316 0.000 1.127 599 L CA 0.376 54.827 54.840 -0.649 0.000 0.884 599 L CB -0.059 41.642 42.059 -0.597 0.000 1.065 599 L HN -0.051 nan 8.230 nan 0.000 0.457 600 S N -0.296 115.379 115.700 -0.042 0.000 3.748 600 S HA -0.211 4.254 4.470 -0.009 0.000 0.329 600 S C 0.589 175.238 174.600 0.082 0.000 1.104 600 S CA 0.410 58.692 58.200 0.135 0.000 0.954 600 S CB -1.517 61.772 63.200 0.149 0.000 0.910 600 S HN 0.389 nan 8.310 nan 0.000 0.494 601 M N 1.667 121.295 119.600 0.048 0.000 2.220 601 M HA 0.181 4.656 4.480 -0.009 0.000 0.343 601 M C -2.282 174.070 176.300 0.087 0.000 1.470 601 M CA -1.526 53.800 55.300 0.042 0.000 1.161 601 M CB 0.200 32.806 32.600 0.011 0.000 1.737 601 M HN -0.087 nan 8.290 nan 0.000 0.464 602 P HA -0.037 nan 4.420 nan 0.000 0.264 602 P C -0.750 176.593 177.300 0.072 0.000 1.183 602 P CA 0.334 63.482 63.100 0.080 0.000 0.763 602 P CB 0.272 32.012 31.700 0.066 0.000 0.807 603 N N 1.729 120.470 118.700 0.069 0.000 2.407 603 N HA 0.161 4.896 4.740 -0.009 0.000 0.250 603 N C 1.428 176.967 175.510 0.048 0.000 1.236 603 N CA 1.112 54.197 53.050 0.058 0.000 0.879 603 N CB -0.020 38.492 38.487 0.042 0.000 1.088 603 N HN 0.716 nan 8.380 nan 0.000 0.450 604 G N 0.325 109.154 108.800 0.048 0.000 2.234 604 G HA2 -0.344 3.610 3.960 -0.009 0.000 0.260 604 G HA3 -0.344 3.610 3.960 -0.009 0.000 0.260 604 G C 0.287 175.214 174.900 0.045 0.000 0.987 604 G CA 0.488 45.613 45.100 0.043 0.000 0.625 604 G HN 0.756 nan 8.290 nan 0.000 0.532 605 S N 0.172 115.902 115.700 0.050 0.000 2.624 605 S HA 0.682 5.147 4.470 -0.009 0.000 0.263 605 S C 0.377 175.012 174.600 0.057 0.000 1.287 605 S CA 0.801 59.031 58.200 0.050 0.000 0.990 605 S CB 1.573 64.803 63.200 0.050 0.000 0.950 605 S HN 1.630 nan 8.310 nan 0.000 0.561 606 T N -1.835 112.753 114.554 0.057 0.000 2.932 606 T HA 0.745 5.090 4.350 -0.009 0.000 0.289 606 T C -0.184 174.561 174.700 0.073 0.000 1.039 606 T CA -0.497 61.644 62.100 0.068 0.000 1.024 606 T CB 0.950 69.852 68.868 0.055 0.000 1.090 606 T HN 1.663 nan 8.240 nan 0.000 0.496 607 V N -1.613 118.363 119.914 0.102 0.000 2.925 607 V HA 0.843 4.958 4.120 -0.009 0.000 0.311 607 V C -0.679 175.502 176.094 0.144 0.000 1.104 607 V CA -0.775 61.585 62.300 0.099 0.000 0.954 607 V CB 1.759 33.633 31.823 0.085 0.000 1.022 607 V HN 1.063 nan 8.190 nan 0.000 0.427 608 T N 2.628 117.251 114.554 0.114 0.000 2.779 608 T HA 0.389 4.734 4.350 -0.009 0.000 0.280 608 T C -0.804 173.979 174.700 0.138 0.000 0.987 608 T CA -0.024 62.153 62.100 0.128 0.000 0.966 608 T CB 1.196 70.121 68.868 0.094 0.000 0.933 608 T HN 0.994 nan 8.240 nan 0.000 0.442 609 D N 2.636 123.163 120.400 0.212 0.000 2.374 609 D HA 0.107 4.741 4.640 -0.009 0.000 0.240 609 D C 1.005 177.369 176.300 0.106 0.000 1.229 609 D CA -0.261 53.844 54.000 0.175 0.000 0.895 609 D CB 0.664 41.643 40.800 0.298 0.000 1.046 609 D HN 0.375 nan 8.370 nan 0.000 0.498 610 K N 3.454 123.894 120.400 0.066 0.000 2.515 610 K HA -0.040 4.275 4.320 -0.009 0.000 0.196 610 K C 1.327 177.947 176.600 0.033 0.000 1.038 610 K CA 0.245 56.568 56.287 0.060 0.000 0.967 610 K CB 0.570 33.121 32.500 0.085 0.000 0.780 610 K HN 0.510 nan 8.250 nan 0.000 0.483 611 I N 0.901 121.484 120.570 0.022 0.000 2.400 611 I HA -0.141 4.024 4.170 -0.009 0.000 0.248 611 I C 2.424 178.560 176.117 0.031 0.000 1.109 611 I CA 1.596 62.893 61.300 -0.005 0.000 1.425 611 I CB -1.131 36.823 38.000 -0.077 0.000 1.094 611 I HN 0.207 nan 8.210 nan 0.000 0.425 612 T N -2.759 111.819 114.554 0.040 0.000 3.014 612 T HA 0.321 4.666 4.350 -0.009 0.000 0.250 612 T C 1.602 176.196 174.700 -0.177 0.000 1.060 612 T CA 0.708 62.776 62.100 -0.054 0.000 1.040 612 T CB 0.638 69.475 68.868 -0.053 0.000 0.971 612 T HN 0.421 nan 8.240 nan 0.000 0.497 613 G N 0.990 109.753 108.800 -0.061 0.000 2.199 613 G HA2 -0.242 3.712 3.960 -0.009 0.000 0.254 613 G HA3 -0.242 3.712 3.960 -0.009 0.000 0.254 613 G C -0.019 174.876 174.900 -0.008 0.000 0.982 613 G CA 0.149 45.223 45.100 -0.045 0.000 0.632 613 G HN 0.782 nan 8.290 nan 0.000 0.529 614 H N 0.662 119.748 119.070 0.027 0.000 2.707 614 H HA 0.522 5.073 4.556 -0.008 0.000 0.359 614 H C 0.504 175.715 175.328 -0.195 0.000 1.113 614 H CA 0.675 56.664 56.048 -0.098 0.000 1.422 614 H CB 1.221 30.928 29.762 -0.091 0.000 1.443 614 H HN 0.213 nan 8.280 nan 0.000 0.591 615 S N 1.892 117.447 115.700 -0.242 0.000 2.578 615 S HA 0.485 4.950 4.470 -0.009 0.000 0.301 615 S C -1.532 172.705 174.600 -0.605 0.000 1.091 615 S CA -0.550 57.504 58.200 -0.244 0.000 1.032 615 S CB 0.511 63.655 63.200 -0.093 0.000 1.064 615 S HN 0.477 nan 8.310 nan 0.000 0.508 616 Y N 0.154 120.482 120.300 0.046 0.000 2.588 616 Y HA 0.469 5.014 4.550 -0.009 0.000 0.343 616 Y C 0.191 176.108 175.900 0.028 0.000 1.065 616 Y CA -0.838 57.281 58.100 0.032 0.000 1.038 616 Y CB 2.102 40.582 38.460 0.033 0.000 1.297 616 Y HN 0.478 nan 8.280 nan 0.000 0.467 617 T N 1.670 116.337 114.554 0.190 0.000 2.823 617 T HA 0.451 4.796 4.350 -0.009 0.000 0.279 617 T C -0.829 173.937 174.700 0.110 0.000 0.998 617 T CA -0.702 61.467 62.100 0.115 0.000 0.994 617 T CB 1.254 70.168 68.868 0.076 0.000 0.960 617 T HN 0.321 nan 8.240 nan 0.000 0.448 618 V N 4.869 124.835 119.914 0.087 0.000 2.439 618 V HA 0.243 4.358 4.120 -0.009 0.000 0.271 618 V C -0.102 176.034 176.094 0.071 0.000 1.040 618 V CA -0.163 62.185 62.300 0.079 0.000 1.002 618 V CB 0.526 32.394 31.823 0.075 0.000 1.000 618 V HN 0.707 nan 8.190 nan 0.000 0.477 619 Q N 4.099 123.941 119.800 0.070 0.000 2.310 619 Q HA 0.404 4.739 4.340 -0.009 0.000 0.270 619 Q C 0.001 176.033 176.000 0.053 0.000 1.025 619 Q CA -0.550 55.286 55.803 0.055 0.000 0.772 619 Q CB 1.580 30.347 28.738 0.049 0.000 1.253 619 Q HN 0.778 nan 8.270 nan 0.000 0.450 620 N N 1.584 120.306 118.700 0.036 0.000 2.738 620 N HA -0.210 4.524 4.740 -0.009 0.000 0.249 620 N C 0.566 176.104 175.510 0.045 0.000 1.047 620 N CA 1.202 54.260 53.050 0.013 0.000 0.707 620 N CB -0.952 37.535 38.487 -0.001 0.000 0.937 620 N HN 1.080 nan 8.380 nan 0.000 0.545 621 G N -1.478 107.383 108.800 0.103 0.000 2.187 621 G HA2 -0.335 3.620 3.960 -0.009 0.000 0.261 621 G HA3 -0.335 3.620 3.960 -0.009 0.000 0.261 621 G C 0.122 175.221 174.900 0.332 0.000 1.000 621 G CA 1.153 46.411 45.100 0.264 0.000 0.718 621 G HN 0.408 nan 8.290 nan 0.000 0.519 622 M N -0.929 118.778 119.600 0.179 0.000 2.619 622 M HA 0.706 5.181 4.480 -0.009 0.000 0.297 622 M C -0.449 175.894 176.300 0.071 0.000 1.229 622 M CA -1.121 54.260 55.300 0.134 0.000 0.860 622 M CB 2.118 34.788 32.600 0.117 0.000 1.741 622 M HN 0.019 nan 8.290 nan 0.000 0.462 623 V N 1.040 120.968 119.914 0.024 0.000 2.482 623 V HA 0.420 4.535 4.120 -0.009 0.000 0.295 623 V C -0.504 175.543 176.094 -0.078 0.000 1.026 623 V CA -0.550 61.735 62.300 -0.025 0.000 0.856 623 V CB 2.126 33.909 31.823 -0.066 0.000 1.001 623 V HN 0.916 nan 8.190 nan 0.000 0.424 624 T N 4.669 119.179 114.554 -0.074 0.000 2.733 624 T HA 0.546 4.891 4.350 -0.009 0.000 0.294 624 T C -0.495 174.079 174.700 -0.210 0.000 0.956 624 T CA -0.186 61.868 62.100 -0.077 0.000 0.987 624 T CB 1.352 70.222 68.868 0.004 0.000 0.920 624 T HN 0.482 nan 8.240 nan 0.000 0.470 625 V N 2.911 122.694 119.914 -0.219 0.000 2.709 625 V HA 0.811 4.926 4.120 -0.009 0.000 0.308 625 V C -0.826 175.239 176.094 -0.049 0.000 1.062 625 V CA -0.946 61.185 62.300 -0.281 0.000 0.901 625 V CB 1.660 33.214 31.823 -0.449 0.000 1.003 625 V HN 0.997 nan 8.190 nan 0.000 0.425 626 A N 6.369 129.212 122.820 0.040 0.000 2.269 626 A HA 0.727 5.042 4.320 -0.009 0.000 0.302 626 A C -0.612 177.055 177.584 0.137 0.000 1.266 626 A CA -0.337 51.756 52.037 0.094 0.000 0.894 626 A CB 0.658 19.721 19.000 0.104 0.000 1.147 626 A HN 1.048 nan 8.150 nan 0.000 0.537 627 V N 4.293 124.295 119.914 0.148 0.000 2.417 627 V HA 0.197 4.311 4.120 -0.009 0.000 0.291 627 V C 0.002 176.222 176.094 0.210 0.000 1.024 627 V CA -0.938 61.486 62.300 0.206 0.000 0.861 627 V CB 1.461 33.403 31.823 0.199 0.000 0.985 627 V HN 0.900 nan 8.190 nan 0.000 0.436 628 D N 2.957 123.520 120.400 0.271 0.000 2.378 628 D HA 0.127 4.762 4.640 -0.009 0.000 0.238 628 D C 0.666 177.086 176.300 0.200 0.000 1.180 628 D CA 0.428 54.550 54.000 0.203 0.000 0.895 628 D CB 1.155 42.118 40.800 0.271 0.000 1.192 628 D HN 0.718 nan 8.370 nan 0.000 0.438 629 G N -0.638 108.159 108.800 -0.005 0.000 2.432 629 G HA2 -0.018 3.937 3.960 -0.009 0.000 0.239 629 G HA3 -0.018 3.937 3.960 -0.009 0.000 0.239 629 G C -0.059 174.926 174.900 0.141 0.000 1.291 629 G CA 0.002 45.049 45.100 -0.088 0.000 0.863 629 G HN 0.786 nan 8.290 nan 0.000 0.560 630 H N -0.923 118.260 119.070 0.188 0.000 2.626 630 H HA -0.217 4.333 4.556 -0.009 0.000 0.317 630 H C -0.269 175.443 175.328 0.640 0.000 1.140 630 H CA 1.131 57.364 56.048 0.309 0.000 1.134 630 H CB -1.400 28.525 29.762 0.271 0.000 1.486 630 H HN 0.651 nan 8.280 nan 0.000 0.417 631 Y N -1.474 119.097 120.300 0.451 0.000 2.829 631 Y HA 0.645 5.190 4.550 -0.009 0.000 0.322 631 Y C 0.383 176.463 175.900 0.299 0.000 1.357 631 Y CA -0.416 57.933 58.100 0.416 0.000 1.081 631 Y CB 2.260 40.999 38.460 0.465 0.000 1.339 631 Y HN 0.186 nan 8.280 nan 0.000 0.469 632 G N 0.192 108.969 108.800 -0.038 0.000 2.660 632 G HA2 0.650 4.605 3.960 -0.009 0.000 0.290 632 G HA3 0.650 4.605 3.960 -0.009 0.000 0.290 632 G C -2.267 172.596 174.900 -0.062 0.000 1.432 632 G CA -0.347 44.762 45.100 0.015 0.000 0.807 632 G HN 0.775 nan 8.290 nan 0.000 0.485 633 A N -0.554 122.261 122.820 -0.007 0.000 2.386 633 A HA 0.751 5.066 4.320 -0.009 0.000 0.311 633 A C -0.929 176.623 177.584 -0.053 0.000 1.068 633 A CA -0.635 51.398 52.037 -0.008 0.000 0.743 633 A CB 2.119 21.130 19.000 0.020 0.000 1.258 633 A HN 1.322 nan 8.150 nan 0.000 0.429 634 V N 3.612 123.502 119.914 -0.041 0.000 2.266 634 V HA 0.205 4.320 4.120 -0.009 0.000 0.266 634 V C -0.426 175.629 176.094 -0.065 0.000 1.036 634 V CA -0.041 62.215 62.300 -0.074 0.000 0.828 634 V CB 0.260 32.051 31.823 -0.052 0.000 1.081 634 V HN 0.703 nan 8.190 nan 0.000 0.449 635 L N 4.027 125.201 121.223 -0.081 0.000 2.433 635 L HA 0.596 4.931 4.340 -0.009 0.000 0.284 635 L C 0.701 177.510 176.870 -0.101 0.000 1.120 635 L CA 0.351 55.161 54.840 -0.050 0.000 0.879 635 L CB 0.213 42.234 42.059 -0.063 0.000 1.232 635 L HN 0.611 nan 8.230 nan 0.000 0.454 636 A N 4.674 127.431 122.820 -0.105 0.000 2.356 636 A HA 0.827 5.142 4.320 -0.009 0.000 0.323 636 A C -0.489 177.046 177.584 -0.082 0.000 1.119 636 A CA -0.474 51.441 52.037 -0.204 0.000 0.790 636 A CB 1.754 20.453 19.000 -0.500 0.000 1.273 636 A HN 0.737 nan 8.150 nan 0.000 0.452 637 Q N 0.000 119.756 119.800 -0.074 0.000 2.315 637 Q HA 0.000 4.335 4.340 -0.009 0.000 0.214 637 Q CA 0.000 55.816 55.803 0.022 0.000 1.022 637 Q CB 0.000 28.752 28.738 0.023 0.000 1.108 637 Q HN 0.000 nan 8.270 nan 0.000 0.481