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 1ji1_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 DGWRLDAAQY VDANGNNGSD VTNHQIWSEF RNAVKGVNSN AAIIGEYWGN 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 0.000 177.584 177.584 0.000 0.000 1.274 1 A CA 0.000 51.998 52.037 -0.066 0.000 0.836 1 A CB 0.000 19.031 19.000 0.052 0.000 0.831 2 A N 0.133 122.978 122.820 0.041 0.000 2.493 2 A HA 0.751 5.070 4.320 -0.002 0.000 0.300 2 A C -1.632 175.991 177.584 0.065 0.000 1.152 2 A CA -0.701 51.363 52.037 0.045 0.000 0.643 2 A CB 0.557 19.565 19.000 0.015 0.000 1.316 2 A HN 0.833 nan 8.150 nan 0.000 0.469 3 N N 2.367 121.101 118.700 0.057 0.000 2.482 3 N HA 0.312 5.050 4.740 -0.002 0.000 0.242 3 N C -1.171 174.365 175.510 0.043 0.000 1.100 3 N CA 0.216 53.302 53.050 0.059 0.000 0.946 3 N CB 0.572 39.094 38.487 0.059 0.000 1.227 3 N HN 0.607 nan 8.380 nan 0.000 0.508 4 D N 0.432 120.859 120.400 0.046 0.000 2.837 4 D HA 0.078 4.716 4.640 -0.002 0.000 0.340 4 D C -0.329 175.994 176.300 0.038 0.000 1.451 4 D CA -0.516 53.505 54.000 0.035 0.000 0.798 4 D CB -0.384 40.433 40.800 0.029 0.000 1.169 4 D HN 0.046 nan 8.370 nan 0.000 0.449 5 N N 1.240 119.965 118.700 0.042 0.000 2.721 5 N HA -0.218 4.521 4.740 -0.002 0.000 0.249 5 N C -0.897 174.643 175.510 0.050 0.000 1.072 5 N CA 0.820 53.895 53.050 0.042 0.000 0.710 5 N CB -1.440 37.068 38.487 0.034 0.000 0.993 5 N HN 0.659 nan 8.380 nan 0.000 0.547 6 N N -0.290 118.448 118.700 0.063 0.000 2.542 6 N HA 0.167 4.906 4.740 -0.002 0.000 0.288 6 N C -1.185 174.396 175.510 0.119 0.000 1.115 6 N CA -0.321 52.777 53.050 0.080 0.000 0.924 6 N CB 1.523 40.047 38.487 0.062 0.000 1.526 6 N HN -0.169 nan 8.380 nan 0.000 0.515 7 V N 3.198 123.206 119.914 0.157 0.000 2.427 7 V HA 0.154 4.273 4.120 -0.002 0.000 0.268 7 V C 0.339 176.626 176.094 0.321 0.000 1.046 7 V CA -0.192 62.237 62.300 0.214 0.000 0.970 7 V CB 0.825 32.778 31.823 0.216 0.000 1.001 7 V HN 0.529 nan 8.190 nan 0.000 0.476 8 E N 4.904 125.301 120.200 0.329 0.000 2.070 8 E HA 0.042 4.391 4.350 -0.002 0.000 0.282 8 E C -0.206 176.673 176.600 0.464 0.000 1.104 8 E CA -0.300 56.342 56.400 0.402 0.000 0.876 8 E CB 0.617 30.638 29.700 0.534 0.000 1.055 8 E HN 0.708 nan 8.360 nan 0.000 0.401 9 W N 2.786 124.183 121.300 0.162 0.000 2.342 9 W HA -0.177 4.482 4.660 -0.002 0.000 0.297 9 W C 1.474 178.069 176.519 0.125 0.000 1.213 9 W CA 0.754 58.185 57.345 0.144 0.000 1.251 9 W CB -0.777 28.774 29.460 0.151 0.000 1.136 9 W HN 0.601 nan 8.180 nan 0.000 0.526 10 N N -1.073 117.869 118.700 0.402 0.000 2.443 10 N HA -0.097 4.642 4.740 -0.002 0.000 0.184 10 N C 1.845 177.337 175.510 -0.031 0.000 1.037 10 N CA 0.943 54.167 53.050 0.290 0.000 0.896 10 N CB -0.539 38.223 38.487 0.458 0.000 0.959 10 N HN 0.178 nan 8.380 nan 0.000 0.442 11 G N 0.206 108.757 108.800 -0.416 0.000 2.838 11 G HA2 0.148 4.107 3.960 -0.002 0.000 0.210 11 G HA3 0.148 4.107 3.960 -0.002 0.000 0.210 11 G C 0.458 175.171 174.900 -0.311 0.000 1.153 11 G CA -0.252 44.242 45.100 -1.010 0.000 0.778 11 G HN 0.047 nan 8.290 nan 0.000 0.539 12 L N 0.262 121.412 121.223 -0.123 0.000 2.417 12 L HA 0.637 4.976 4.340 -0.002 0.000 0.268 12 L C -0.650 176.164 176.870 -0.093 0.000 1.158 12 L CA -0.544 54.208 54.840 -0.146 0.000 0.819 12 L CB 1.045 43.026 42.059 -0.131 0.000 1.112 12 L HN 0.070 nan 8.230 nan 0.000 0.458 13 F N 2.543 122.177 119.950 -0.528 0.000 2.680 13 F HA 0.420 4.946 4.527 -0.002 0.000 0.315 13 F C -1.057 174.299 175.800 -0.740 0.000 1.099 13 F CA -0.558 57.127 58.000 -0.525 0.000 1.033 13 F CB 1.085 39.868 39.000 -0.361 0.000 1.285 13 F HN 0.513 nan 8.300 nan 0.000 0.457 14 H N 4.319 122.295 119.070 -1.825 0.000 3.112 14 H HA 0.480 5.035 4.556 -0.002 0.000 0.347 14 H C -2.219 172.461 175.328 -1.080 0.000 1.188 14 H CA -0.272 54.942 56.048 -1.389 0.000 1.240 14 H CB 2.293 31.510 29.762 -0.909 0.000 1.920 14 H HN 0.808 nan 8.280 nan 0.000 0.535 15 D N 2.122 121.619 120.400 -1.505 0.000 2.779 15 D HA 0.026 4.665 4.640 -0.002 0.000 0.331 15 D C -0.551 175.317 176.300 -0.720 0.000 1.331 15 D CA -0.499 53.053 54.000 -0.747 0.000 0.866 15 D CB 0.693 41.373 40.800 -0.199 0.000 1.409 15 D HN 0.552 nan 8.370 nan 0.000 0.486 16 Q N -0.057 119.600 119.800 -0.239 0.000 2.228 16 Q HA 0.372 4.711 4.340 -0.002 0.000 0.211 16 Q C 0.824 176.807 176.000 -0.027 0.000 0.890 16 Q CA -0.267 55.478 55.803 -0.095 0.000 0.953 16 Q CB 0.757 29.522 28.738 0.045 0.000 1.053 16 Q HN 0.494 nan 8.270 nan 0.000 0.471 17 G N 1.558 110.357 108.800 -0.002 0.000 2.684 17 G HA2 0.053 4.011 3.960 -0.002 0.000 0.255 17 G HA3 0.053 4.011 3.960 -0.002 0.000 0.255 17 G C -1.883 172.992 174.900 -0.041 0.000 1.219 17 G CA -0.995 44.094 45.100 -0.018 0.000 0.901 17 G HN -0.026 nan 8.290 nan 0.000 0.548 18 P HA -0.126 nan 4.420 nan 0.000 0.216 18 P C 1.950 179.101 177.300 -0.248 0.000 1.154 18 P CA 0.703 63.715 63.100 -0.146 0.000 0.865 18 P CB 0.155 31.775 31.700 -0.134 0.000 0.789 19 L N -3.007 117.964 121.223 -0.421 0.000 2.376 19 L HA -0.018 4.321 4.340 -0.002 0.000 0.219 19 L C 1.468 177.739 176.870 -0.999 0.000 1.133 19 L CA 1.749 56.116 54.840 -0.789 0.000 0.816 19 L CB -1.183 40.219 42.059 -1.095 0.000 0.933 19 L HN 0.038 nan 8.230 nan 0.000 0.449 20 F N -1.932 117.934 119.950 -0.139 0.000 2.728 20 F HA 0.267 4.793 4.527 -0.002 0.000 0.314 20 F C 0.452 176.221 175.800 -0.053 0.000 1.094 20 F CA -0.713 57.222 58.000 -0.108 0.000 1.217 20 F CB 0.626 39.495 39.000 -0.219 0.000 1.056 20 F HN -0.102 nan 8.300 nan 0.000 0.577 21 D N 0.359 120.782 120.400 0.039 0.000 2.890 21 D HA 0.103 4.742 4.640 -0.002 0.000 0.233 21 D C 0.139 176.426 176.300 -0.022 0.000 1.306 21 D CA -0.130 53.896 54.000 0.043 0.000 0.929 21 D CB 0.962 41.803 40.800 0.067 0.000 1.512 21 D HN 0.040 nan 8.370 nan 0.000 0.568 22 N N 2.547 121.227 118.700 -0.034 0.000 2.412 22 N HA 0.068 4.806 4.740 -0.002 0.000 0.184 22 N C -0.255 175.231 175.510 -0.039 0.000 1.101 22 N CA -0.098 52.920 53.050 -0.052 0.000 0.881 22 N CB 0.493 38.943 38.487 -0.061 0.000 0.969 22 N HN 0.260 nan 8.380 nan 0.000 0.459 23 A N 1.185 123.991 122.820 -0.023 0.000 3.300 23 A HA 0.381 4.699 4.320 -0.002 0.000 0.300 23 A C -1.964 175.622 177.584 0.004 0.000 1.099 23 A CA -0.866 51.160 52.037 -0.018 0.000 0.846 23 A CB 1.003 19.989 19.000 -0.023 0.000 1.255 23 A HN 0.038 nan 8.150 nan 0.000 0.519 24 P HA -0.091 nan 4.420 nan 0.000 0.221 24 P C 0.142 177.449 177.300 0.012 0.000 1.150 24 P CA 1.251 64.362 63.100 0.019 0.000 0.800 24 P CB 0.382 32.078 31.700 -0.007 0.000 0.787 25 E N 0.747 120.939 120.200 -0.014 0.000 3.666 25 E HA 0.245 4.594 4.350 -0.002 0.000 0.230 25 E C -2.339 174.256 176.600 -0.008 0.000 1.235 25 E CA -1.672 54.713 56.400 -0.025 0.000 1.096 25 E CB 0.980 30.631 29.700 -0.082 0.000 1.287 25 E HN 0.359 nan 8.360 nan 0.000 0.406 26 P HA 0.056 nan 4.420 nan 0.000 0.276 26 P C 0.150 177.459 177.300 0.016 0.000 1.244 26 P CA -0.169 62.934 63.100 0.006 0.000 0.801 26 P CB 1.367 33.067 31.700 0.001 0.000 1.006 27 T N -2.255 112.303 114.554 0.007 0.000 2.884 27 T HA 0.194 4.543 4.350 -0.002 0.000 0.277 27 T C 1.386 176.088 174.700 0.004 0.000 0.976 27 T CA -0.423 61.684 62.100 0.012 0.000 0.956 27 T CB -0.218 68.655 68.868 0.008 0.000 1.113 27 T HN 0.243 nan 8.240 nan 0.000 0.554 28 S N 0.378 116.081 115.700 0.005 0.000 2.442 28 S HA -0.052 4.417 4.470 -0.002 0.000 0.236 28 S C 1.899 176.490 174.600 -0.014 0.000 1.007 28 S CA 1.425 59.623 58.200 -0.005 0.000 0.965 28 S CB -0.708 62.492 63.200 -0.001 0.000 0.773 28 S HN 0.988 nan 8.310 nan 0.000 0.504 29 T N -0.973 113.574 114.554 -0.012 0.000 3.092 29 T HA 0.270 4.619 4.350 -0.002 0.000 0.258 29 T C 0.156 174.843 174.700 -0.021 0.000 1.031 29 T CA -0.353 61.737 62.100 -0.016 0.000 0.925 29 T CB 0.034 68.895 68.868 -0.011 0.000 1.036 29 T HN 0.205 nan 8.240 nan 0.000 0.544 30 Q N 2.492 122.278 119.800 -0.023 0.000 2.325 30 Q HA 0.512 4.851 4.340 -0.002 0.000 0.262 30 Q C -0.212 175.763 176.000 -0.042 0.000 0.968 30 Q CA -0.662 55.124 55.803 -0.029 0.000 0.877 30 Q CB 1.814 30.538 28.738 -0.023 0.000 1.253 30 Q HN 0.539 nan 8.270 nan 0.000 0.448 31 S N 0.699 116.370 115.700 -0.049 0.000 2.603 31 S HA 0.472 4.941 4.470 -0.002 0.000 0.268 31 S C 0.061 174.617 174.600 -0.073 0.000 1.317 31 S CA -0.750 57.409 58.200 -0.068 0.000 1.012 31 S CB 1.039 64.201 63.200 -0.063 0.000 0.926 31 S HN 0.352 nan 8.310 nan 0.000 0.539 32 V N 2.148 122.001 119.914 -0.103 0.000 2.350 32 V HA 0.362 4.481 4.120 -0.002 0.000 0.285 32 V C -0.032 175.992 176.094 -0.116 0.000 1.014 32 V CA -0.586 61.654 62.300 -0.100 0.000 0.831 32 V CB 1.052 32.807 31.823 -0.114 0.000 1.000 32 V HN 1.034 nan 8.190 nan 0.000 0.433 33 T N 7.235 121.741 114.554 -0.079 0.000 2.744 33 T HA 0.636 4.984 4.350 -0.002 0.000 0.291 33 T C -0.200 174.475 174.700 -0.041 0.000 0.957 33 T CA -0.106 61.953 62.100 -0.069 0.000 1.002 33 T CB 0.465 69.299 68.868 -0.057 0.000 0.919 33 T HN 0.343 nan 8.240 nan 0.000 0.468 34 L N 3.514 124.716 121.223 -0.034 0.000 2.334 34 L HA 0.606 4.945 4.340 -0.002 0.000 0.276 34 L C 0.222 177.164 176.870 0.119 0.000 1.014 34 L CA -0.974 53.906 54.840 0.067 0.000 0.815 34 L CB 1.602 43.639 42.059 -0.035 0.000 1.268 34 L HN 0.354 nan 8.230 nan 0.000 0.428 35 K N 2.795 123.334 120.400 0.233 0.000 2.345 35 K HA 0.601 4.920 4.320 -0.002 0.000 0.255 35 K C -1.473 175.329 176.600 0.337 0.000 0.934 35 K CA -0.804 55.622 56.287 0.232 0.000 0.801 35 K CB 2.788 35.357 32.500 0.114 0.000 1.137 35 K HN 0.252 nan 8.250 nan 0.000 0.424 36 L N 2.781 124.083 121.223 0.131 0.000 2.313 36 L HA 0.433 4.772 4.340 -0.002 0.000 0.283 36 L C -0.519 176.413 176.870 0.104 0.000 1.013 36 L CA -0.351 54.396 54.840 -0.155 0.000 0.816 36 L CB 1.320 43.035 42.059 -0.574 0.000 1.236 36 L HN 0.546 nan 8.230 nan 0.000 0.419 37 R N 2.709 123.251 120.500 0.070 0.000 2.457 37 R HA 0.729 5.068 4.340 -0.002 0.000 0.284 37 R C -0.807 175.462 176.300 -0.051 0.000 1.024 37 R CA 0.245 56.385 56.100 0.066 0.000 1.025 37 R CB 1.039 31.390 30.300 0.085 0.000 1.063 37 R HN 0.903 nan 8.270 nan 0.000 0.493 38 T N -0.286 114.302 114.554 0.057 0.000 2.816 38 T HA 0.368 4.717 4.350 -0.002 0.000 0.299 38 T C -0.339 174.539 174.700 0.297 0.000 1.230 38 T CA -0.763 61.395 62.100 0.097 0.000 1.007 38 T CB 0.676 69.617 68.868 0.122 0.000 1.289 38 T HN 0.349 nan 8.240 nan 0.000 0.508 39 F N 1.582 121.722 119.950 0.317 0.000 2.496 39 F HA 0.333 4.858 4.527 -0.002 0.000 0.344 39 F C 1.429 177.340 175.800 0.184 0.000 1.155 39 F CA -0.751 57.386 58.000 0.228 0.000 1.302 39 F CB 0.786 39.868 39.000 0.136 0.000 1.159 39 F HN 0.600 nan 8.300 nan 0.000 0.595 40 K N 1.956 122.555 120.400 0.332 0.000 2.472 40 K HA 0.114 4.432 4.320 -0.002 0.000 0.280 40 K C 0.827 177.556 176.600 0.216 0.000 1.028 40 K CA 0.841 57.279 56.287 0.252 0.000 1.045 40 K CB 0.028 32.613 32.500 0.141 0.000 0.902 40 K HN 0.909 nan 8.250 nan 0.000 0.478 41 G N 3.890 112.842 108.800 0.254 0.000 2.225 41 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.267 41 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.267 41 G C 0.353 175.371 174.900 0.198 0.000 1.024 41 G CA 0.673 45.892 45.100 0.197 0.000 0.784 41 G HN 0.916 nan 8.290 nan 0.000 0.507 42 D N -0.526 120.027 120.400 0.256 0.000 2.305 42 D HA 0.171 4.809 4.640 -0.002 0.000 0.206 42 D C 1.545 177.939 176.300 0.157 0.000 0.974 42 D CA 1.090 55.220 54.000 0.216 0.000 0.871 42 D CB 0.092 41.069 40.800 0.295 0.000 0.947 42 D HN 0.863 nan 8.370 nan 0.000 0.516 43 I N -3.335 117.327 120.570 0.154 0.000 3.170 43 I HA 0.467 4.636 4.170 -0.002 0.000 0.312 43 I C 0.828 176.994 176.117 0.081 0.000 1.085 43 I CA -0.573 60.747 61.300 0.033 0.000 0.999 43 I CB 1.968 39.855 38.000 -0.189 0.000 1.233 43 I HN -0.229 nan 8.210 nan 0.000 0.467 44 T N -1.536 113.016 114.554 -0.004 0.000 3.000 44 T HA 0.302 4.651 4.350 -0.002 0.000 0.248 44 T C 0.605 175.321 174.700 0.026 0.000 1.034 44 T CA 0.525 62.669 62.100 0.072 0.000 1.060 44 T CB -0.299 68.604 68.868 0.059 0.000 0.983 44 T HN 0.949 nan 8.240 nan 0.000 0.482 45 S N -0.121 115.455 115.700 -0.207 0.000 2.567 45 S HA 0.789 5.258 4.470 -0.002 0.000 0.270 45 S C -1.594 172.733 174.600 -0.455 0.000 1.152 45 S CA -0.599 57.441 58.200 -0.266 0.000 0.835 45 S CB 1.506 64.691 63.200 -0.025 0.000 1.115 45 S HN 1.059 nan 8.310 nan 0.000 0.459 46 A N 1.535 124.104 122.820 -0.419 0.000 2.549 46 A HA 0.871 5.190 4.320 -0.002 0.000 0.297 46 A C -1.471 175.970 177.584 -0.239 0.000 1.061 46 A CA -0.837 50.974 52.037 -0.375 0.000 0.690 46 A CB 1.375 20.062 19.000 -0.522 0.000 1.287 46 A HN 0.794 nan 8.150 nan 0.000 0.402 47 N N 0.723 119.224 118.700 -0.331 0.000 2.264 47 N HA 0.473 5.212 4.740 -0.002 0.000 0.288 47 N C -1.427 173.770 175.510 -0.522 0.000 1.094 47 N CA -0.387 52.314 53.050 -0.582 0.000 0.817 47 N CB 2.030 39.764 38.487 -1.254 0.000 1.604 47 N HN 0.583 nan 8.380 nan 0.000 0.473 48 I N 1.073 121.360 120.570 -0.472 0.000 2.342 48 I HA 0.219 4.387 4.170 -0.002 0.000 0.291 48 I C 0.474 176.409 176.117 -0.302 0.000 1.010 48 I CA -0.289 60.795 61.300 -0.362 0.000 1.308 48 I CB 0.971 38.805 38.000 -0.275 0.000 1.400 48 I HN 0.207 nan 8.210 nan 0.000 0.488 49 K N 7.868 128.216 120.400 -0.086 0.000 2.394 49 K HA 0.394 4.713 4.320 -0.002 0.000 0.260 49 K C -1.612 175.225 176.600 0.395 0.000 0.967 49 K CA -0.585 55.816 56.287 0.190 0.000 0.855 49 K CB 1.049 33.747 32.500 0.330 0.000 1.101 49 K HN 0.540 nan 8.250 nan 0.000 0.433 50 Y N 1.809 122.343 120.300 0.390 0.000 2.462 50 Y HA 0.479 5.028 4.550 -0.002 0.000 0.346 50 Y C -1.297 174.948 175.900 0.575 0.000 0.976 50 Y CA -1.355 57.017 58.100 0.453 0.000 1.044 50 Y CB 0.930 39.553 38.460 0.270 0.000 1.230 50 Y HN 0.544 nan 8.280 nan 0.000 0.455 51 W N 5.718 127.291 121.300 0.454 0.000 2.351 51 W HA 0.370 5.029 4.660 -0.002 0.000 0.311 51 W C -1.427 175.219 176.519 0.212 0.000 1.168 51 W CA -0.207 57.194 57.345 0.093 0.000 1.200 51 W CB 1.659 31.087 29.460 -0.054 0.000 1.221 51 W HN 0.805 nan 8.180 nan 0.000 0.519 52 D N 3.726 123.949 120.400 -0.294 0.000 2.381 52 D HA 0.080 4.719 4.640 -0.002 0.000 0.235 52 D C 1.342 177.427 176.300 -0.359 0.000 1.068 52 D CA -0.132 53.792 54.000 -0.127 0.000 0.832 52 D CB 1.651 42.451 40.800 -0.001 0.000 1.101 52 D HN 0.431 nan 8.370 nan 0.000 0.515 53 T N 0.867 115.349 114.554 -0.120 0.000 3.051 53 T HA -0.020 4.329 4.350 -0.002 0.000 0.269 53 T C 1.714 176.382 174.700 -0.053 0.000 1.127 53 T CA 0.805 62.904 62.100 -0.002 0.000 1.107 53 T CB 0.026 68.945 68.868 0.084 0.000 0.898 53 T HN 0.292 nan 8.240 nan 0.000 0.517 54 A N 2.678 125.448 122.820 -0.084 0.000 1.969 54 A HA -0.008 4.311 4.320 -0.002 0.000 0.218 54 A C 1.879 179.416 177.584 -0.078 0.000 1.169 54 A CA 1.520 53.517 52.037 -0.066 0.000 0.635 54 A CB -0.311 18.649 19.000 -0.066 0.000 0.810 54 A HN 0.748 nan 8.150 nan 0.000 0.445 55 D N -3.198 117.124 120.400 -0.130 0.000 2.562 55 D HA 0.039 4.678 4.640 -0.002 0.000 0.246 55 D C -0.177 175.966 176.300 -0.262 0.000 1.347 55 D CA -0.188 53.731 54.000 -0.135 0.000 0.800 55 D CB -1.913 38.843 40.800 -0.072 0.000 1.111 55 D HN 0.430 nan 8.370 nan 0.000 0.508 56 N N 0.198 118.658 118.700 -0.400 0.000 2.705 56 N HA -0.098 4.641 4.740 -0.002 0.000 0.255 56 N C -0.691 174.105 175.510 -1.191 0.000 1.008 56 N CA 0.539 53.220 53.050 -0.615 0.000 0.742 56 N CB -0.754 37.714 38.487 -0.032 0.000 0.906 56 N HN 0.561 nan 8.380 nan 0.000 0.541 57 A N 0.167 122.035 122.820 -1.587 0.000 2.606 57 A HA 0.722 5.040 4.320 -0.002 0.000 0.293 57 A C -0.921 175.989 177.584 -1.123 0.000 1.082 57 A CA -0.652 50.676 52.037 -1.182 0.000 0.685 57 A CB 0.970 19.607 19.000 -0.605 0.000 1.284 57 A HN 0.148 nan 8.150 nan 0.000 0.408 58 F N 0.594 120.234 119.950 -0.517 0.000 2.375 58 F HA 0.558 5.083 4.527 -0.002 0.000 0.333 58 F C 0.649 176.025 175.800 -0.707 0.000 1.104 58 F CA 0.694 58.510 58.000 -0.307 0.000 1.149 58 F CB 1.276 40.297 39.000 0.035 0.000 1.190 58 F HN 0.605 nan 8.300 nan 0.000 0.533 59 H N 0.393 119.364 119.070 -0.165 0.000 2.690 59 H HA 0.230 4.784 4.556 -0.002 0.000 0.368 59 H C -1.431 173.863 175.328 -0.057 0.000 1.150 59 H CA -1.034 54.824 56.048 -0.318 0.000 1.174 59 H CB 1.785 31.026 29.762 -0.867 0.000 1.684 59 H HN 0.619 nan 8.280 nan 0.000 0.538 60 W N 3.929 125.215 121.300 -0.023 0.000 2.532 60 W HA 0.539 5.197 4.660 -0.002 0.000 0.321 60 W C -1.611 174.969 176.519 0.101 0.000 1.037 60 W CA -0.769 56.603 57.345 0.045 0.000 1.220 60 W CB 1.489 30.967 29.460 0.030 0.000 1.361 60 W HN 0.305 nan 8.180 nan 0.000 0.468 61 V N 7.755 127.591 119.914 -0.129 0.000 2.357 61 V HA 0.191 4.310 4.120 -0.002 0.000 0.281 61 V C -2.121 173.835 176.094 -0.229 0.000 1.015 61 V CA -1.885 60.374 62.300 -0.068 0.000 0.827 61 V CB 1.459 33.301 31.823 0.032 0.000 1.018 61 V HN 0.379 nan 8.190 nan 0.000 0.432 62 P HA 0.225 nan 4.420 nan 0.000 0.268 62 P C -0.150 177.164 177.300 0.023 0.000 1.204 62 P CA 0.301 63.362 63.100 -0.065 0.000 0.768 62 P CB 0.516 32.273 31.700 0.095 0.000 0.842 63 M N 2.128 121.774 119.600 0.077 0.000 2.471 63 M HA 0.536 5.014 4.480 -0.002 0.000 0.309 63 M C 0.045 176.585 176.300 0.399 0.000 1.186 63 M CA -0.836 54.593 55.300 0.214 0.000 1.008 63 M CB 1.477 34.229 32.600 0.252 0.000 1.551 63 M HN 0.100 nan 8.290 nan 0.000 0.477 64 V N -1.824 118.298 119.914 0.347 0.000 3.007 64 V HA 0.554 4.673 4.120 -0.002 0.000 0.311 64 V C -1.562 174.432 176.094 -0.168 0.000 1.120 64 V CA -1.008 61.397 62.300 0.176 0.000 0.980 64 V CB 1.615 33.489 31.823 0.084 0.000 1.033 64 V HN 1.018 nan 8.190 nan 0.000 0.429 65 W N 2.766 123.515 121.300 -0.917 0.000 2.223 65 W HA 0.398 5.057 4.660 -0.002 0.000 0.334 65 W C 0.846 177.103 176.519 -0.436 0.000 1.334 65 W CA 1.246 57.929 57.345 -1.104 0.000 1.246 65 W CB 1.248 30.106 29.460 -1.003 0.000 1.184 65 W HN 1.028 nan 8.180 nan 0.000 0.563 66 D N 1.793 121.519 120.400 -1.123 0.000 2.766 66 D HA 0.117 4.756 4.640 -0.002 0.000 0.284 66 D C 0.112 175.564 176.300 -1.414 0.000 1.050 66 D CA 1.013 54.491 54.000 -0.869 0.000 0.945 66 D CB 0.486 41.020 40.800 -0.442 0.000 1.272 66 D HN 0.262 nan 8.370 nan 0.000 0.482 67 S N -1.591 113.114 115.700 -1.660 0.000 2.655 67 S HA 0.438 4.907 4.470 -0.002 0.000 0.266 67 S C -1.461 172.945 174.600 -0.324 0.000 1.149 67 S CA -1.141 56.459 58.200 -1.000 0.000 0.818 67 S CB 1.011 64.015 63.200 -0.327 0.000 1.130 67 S HN 0.167 nan 8.310 nan 0.000 0.476 68 N N 0.811 119.593 118.700 0.136 0.000 2.432 68 N HA 0.500 5.239 4.740 -0.002 0.000 0.292 68 N C -1.342 174.335 175.510 0.280 0.000 1.193 68 N CA -0.840 52.362 53.050 0.254 0.000 0.878 68 N CB 0.885 39.553 38.487 0.302 0.000 1.252 68 N HN 0.812 nan 8.380 nan 0.000 0.520 69 D N 0.105 120.667 120.400 0.271 0.000 2.387 69 D HA 0.169 4.808 4.640 -0.002 0.000 0.251 69 D C -1.945 174.500 176.300 0.242 0.000 1.141 69 D CA -1.435 52.784 54.000 0.364 0.000 0.987 69 D CB 0.624 41.658 40.800 0.391 0.000 1.116 69 D HN 0.189 nan 8.370 nan 0.000 0.491 70 P HA -0.126 nan 4.420 nan 0.000 0.217 70 P C 1.331 178.708 177.300 0.129 0.000 1.148 70 P CA 2.117 65.302 63.100 0.141 0.000 0.828 70 P CB -0.061 31.709 31.700 0.117 0.000 0.783 71 T N -5.493 109.155 114.554 0.157 0.000 3.100 71 T HA 0.231 4.580 4.350 -0.002 0.000 0.253 71 T C 1.485 176.234 174.700 0.082 0.000 1.118 71 T CA 0.449 62.622 62.100 0.120 0.000 1.058 71 T CB -1.043 67.916 68.868 0.152 0.000 0.953 71 T HN 0.220 nan 8.240 nan 0.000 0.515 72 G N 0.591 109.455 108.800 0.108 0.000 2.225 72 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.267 72 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.267 72 G C 0.609 175.515 174.900 0.010 0.000 1.024 72 G CA 0.641 45.788 45.100 0.079 0.000 0.784 72 G HN 0.560 nan 8.290 nan 0.000 0.507 73 T N -1.038 113.489 114.554 -0.045 0.000 3.023 73 T HA 0.420 4.769 4.350 -0.002 0.000 0.249 73 T C 0.588 175.052 174.700 -0.392 0.000 1.050 73 T CA 0.806 62.720 62.100 -0.310 0.000 1.088 73 T CB 0.180 68.723 68.868 -0.542 0.000 0.946 73 T HN 0.341 nan 8.240 nan 0.000 0.480 74 F N 0.832 120.870 119.950 0.147 0.000 2.598 74 F HA 0.619 5.144 4.527 -0.002 0.000 0.327 74 F C -0.290 175.498 175.800 -0.019 0.000 1.057 74 F CA -1.521 56.518 58.000 0.064 0.000 0.957 74 F CB 1.194 40.122 39.000 -0.121 0.000 1.278 74 F HN -0.242 nan 8.300 nan 0.000 0.484 75 D N -0.234 120.296 120.400 0.216 0.000 2.269 75 D HA 0.360 4.999 4.640 -0.002 0.000 0.244 75 D C -1.500 174.762 176.300 -0.063 0.000 0.992 75 D CA -0.307 53.806 54.000 0.188 0.000 0.894 75 D CB 1.749 42.849 40.800 0.501 0.000 1.248 75 D HN 0.368 nan 8.370 nan 0.000 0.468 76 Y N 0.193 120.479 120.300 -0.024 0.000 2.338 76 Y HA 0.351 4.900 4.550 -0.002 0.000 0.333 76 Y C -0.521 175.274 175.900 -0.174 0.000 0.968 76 Y CA -1.034 57.053 58.100 -0.023 0.000 1.123 76 Y CB 1.316 39.704 38.460 -0.119 0.000 1.165 76 Y HN 0.233 nan 8.280 nan 0.000 0.452 77 W N 3.959 125.266 121.300 0.012 0.000 2.516 77 W HA 0.629 5.287 4.660 -0.002 0.000 0.343 77 W C -0.603 175.903 176.519 -0.022 0.000 1.094 77 W CA -0.916 56.414 57.345 -0.025 0.000 1.250 77 W CB 1.492 30.955 29.460 0.006 0.000 1.308 77 W HN 0.326 nan 8.180 nan 0.000 0.588 78 K N 1.367 121.866 120.400 0.164 0.000 2.435 78 K HA 0.979 5.298 4.320 -0.002 0.000 0.251 78 K C -0.481 176.172 176.600 0.089 0.000 0.954 78 K CA -1.113 55.226 56.287 0.087 0.000 0.820 78 K CB 2.299 34.794 32.500 -0.009 0.000 1.292 78 K HN 0.584 nan 8.250 nan 0.000 0.436 79 G N 0.504 109.332 108.800 0.047 0.000 2.720 79 G HA2 0.535 4.494 3.960 -0.002 0.000 0.295 79 G HA3 0.535 4.494 3.960 -0.002 0.000 0.295 79 G C -1.574 173.301 174.900 -0.042 0.000 1.437 79 G CA -0.665 44.443 45.100 0.012 0.000 0.886 79 G HN 0.452 nan 8.290 nan 0.000 0.509 80 T N 1.210 115.733 114.554 -0.052 0.000 2.824 80 T HA 0.526 4.874 4.350 -0.002 0.000 0.282 80 T C -0.087 174.542 174.700 -0.118 0.000 0.993 80 T CA -0.229 61.818 62.100 -0.088 0.000 0.967 80 T CB 1.326 70.158 68.868 -0.059 0.000 0.960 80 T HN 0.384 nan 8.240 nan 0.000 0.441 81 I N 5.772 126.214 120.570 -0.212 0.000 2.331 81 I HA 0.292 4.461 4.170 -0.002 0.000 0.292 81 I C -1.783 174.190 176.117 -0.240 0.000 0.998 81 I CA -2.534 58.568 61.300 -0.332 0.000 1.267 81 I CB 1.628 39.282 38.000 -0.576 0.000 1.386 81 I HN 0.341 nan 8.210 nan 0.000 0.476 82 P HA 0.019 nan 4.420 nan 0.000 0.268 82 P C -0.664 176.560 177.300 -0.127 0.000 1.208 82 P CA -0.313 62.719 63.100 -0.113 0.000 0.777 82 P CB 0.741 32.406 31.700 -0.060 0.000 0.875 83 A N 2.375 125.144 122.820 -0.084 0.000 2.409 83 A HA 0.529 4.848 4.320 -0.002 0.000 0.262 83 A C 0.536 178.083 177.584 -0.061 0.000 1.113 83 A CA 0.296 52.291 52.037 -0.069 0.000 0.790 83 A CB -0.418 18.553 19.000 -0.048 0.000 1.046 83 A HN 0.750 nan 8.150 nan 0.000 0.496 84 S N 1.560 117.225 115.700 -0.058 0.000 2.615 84 S HA 0.604 5.072 4.470 -0.002 0.000 0.268 84 S C -2.945 171.633 174.600 -0.036 0.000 1.146 84 S CA -0.724 57.448 58.200 -0.047 0.000 0.818 84 S CB 1.035 64.200 63.200 -0.058 0.000 1.111 84 S HN 0.184 nan 8.310 nan 0.000 0.465 85 P HA 0.113 nan 4.420 nan 0.000 0.233 85 P C 0.383 177.673 177.300 -0.017 0.000 1.167 85 P CA 0.598 63.690 63.100 -0.014 0.000 0.770 85 P CB -0.128 31.566 31.700 -0.009 0.000 0.837 86 S N -0.251 115.429 115.700 -0.033 0.000 2.580 86 S HA 0.251 4.720 4.470 -0.002 0.000 0.274 86 S C 0.240 174.807 174.600 -0.054 0.000 1.329 86 S CA -0.676 57.500 58.200 -0.040 0.000 1.036 86 S CB 0.116 63.286 63.200 -0.050 0.000 0.919 86 S HN -0.076 nan 8.310 nan 0.000 0.515 87 I N 2.363 122.894 120.570 -0.065 0.000 2.634 87 I HA 0.241 4.410 4.170 -0.002 0.000 0.284 87 I C 0.488 176.453 176.117 -0.254 0.000 1.124 87 I CA 0.087 61.316 61.300 -0.119 0.000 1.417 87 I CB 0.556 38.498 38.000 -0.098 0.000 1.396 87 I HN 0.674 nan 8.210 nan 0.000 0.571 88 K N 5.683 125.896 120.400 -0.313 0.000 2.477 88 K HA 0.588 4.907 4.320 -0.002 0.000 0.255 88 K C -1.745 174.643 176.600 -0.353 0.000 0.952 88 K CA -0.797 55.327 56.287 -0.272 0.000 0.826 88 K CB 2.391 34.857 32.500 -0.056 0.000 1.331 88 K HN 0.311 nan 8.250 nan 0.000 0.437 89 Y N 0.714 121.191 120.300 0.296 0.000 2.425 89 Y HA 0.429 4.977 4.550 -0.002 0.000 0.344 89 Y C -0.706 175.374 175.900 0.300 0.000 0.969 89 Y CA -1.199 56.975 58.100 0.123 0.000 1.052 89 Y CB 1.571 40.008 38.460 -0.039 0.000 1.215 89 Y HN 0.561 nan 8.280 nan 0.000 0.451 90 Y N 0.453 120.913 120.300 0.267 0.000 2.576 90 Y HA 0.909 5.458 4.550 -0.002 0.000 0.346 90 Y C -1.015 174.954 175.900 0.116 0.000 1.018 90 Y CA -1.851 56.364 58.100 0.191 0.000 1.050 90 Y CB 1.749 40.232 38.460 0.037 0.000 1.280 90 Y HN 0.697 nan 8.280 nan 0.000 0.474 91 R N 0.851 121.488 120.500 0.228 0.000 2.817 91 R HA 0.740 5.079 4.340 -0.002 0.000 0.268 91 R C -2.236 174.061 176.300 -0.004 0.000 1.027 91 R CA -0.857 55.356 56.100 0.187 0.000 0.928 91 R CB 1.829 32.284 30.300 0.257 0.000 1.228 91 R HN 0.587 nan 8.270 nan 0.000 0.469 92 F N 0.151 120.283 119.950 0.303 0.000 2.508 92 F HA 0.399 4.925 4.527 -0.002 0.000 0.325 92 F C 0.113 175.837 175.800 -0.127 0.000 1.090 92 F CA -0.779 57.248 58.000 0.047 0.000 0.945 92 F CB 2.332 41.304 39.000 -0.045 0.000 1.156 92 F HN 0.405 nan 8.300 nan 0.000 0.463 93 Q N 3.837 123.455 119.800 -0.303 0.000 2.307 93 Q HA 0.634 4.973 4.340 -0.002 0.000 0.262 93 Q C -1.509 174.204 176.000 -0.479 0.000 0.961 93 Q CA -0.468 54.807 55.803 -0.879 0.000 0.882 93 Q CB 1.382 29.505 28.738 -1.025 0.000 1.264 93 Q HN 0.739 nan 8.270 nan 0.000 0.446 94 I N 3.935 124.244 120.570 -0.435 0.000 2.418 94 I HA 0.408 4.577 4.170 -0.002 0.000 0.287 94 I C -0.725 175.250 176.117 -0.238 0.000 1.008 94 I CA -0.866 60.247 61.300 -0.311 0.000 1.104 94 I CB 1.674 39.524 38.000 -0.250 0.000 1.264 94 I HN 0.495 nan 8.210 nan 0.000 0.438 95 N N 4.582 123.152 118.700 -0.215 0.000 2.284 95 N HA 0.345 5.083 4.740 -0.002 0.000 0.300 95 N C -1.429 174.030 175.510 -0.084 0.000 1.047 95 N CA -0.596 52.383 53.050 -0.118 0.000 0.821 95 N CB 2.765 41.202 38.487 -0.084 0.000 1.337 95 N HN 0.523 nan 8.380 nan 0.000 0.482 96 D N 0.822 121.211 120.400 -0.018 0.000 2.375 96 D HA 0.425 5.064 4.640 -0.002 0.000 0.259 96 D C 0.929 177.246 176.300 0.029 0.000 1.235 96 D CA 0.129 54.138 54.000 0.014 0.000 0.924 96 D CB 0.409 41.236 40.800 0.045 0.000 1.143 96 D HN 0.782 nan 8.370 nan 0.000 0.529 97 G N 2.956 111.773 108.800 0.028 0.000 2.622 97 G HA2 -0.386 3.572 3.960 -0.002 0.000 0.307 97 G HA3 -0.386 3.572 3.960 -0.002 0.000 0.307 97 G C 1.189 176.108 174.900 0.032 0.000 1.226 97 G CA 0.933 46.053 45.100 0.033 0.000 0.997 97 G HN 0.905 nan 8.290 nan 0.000 0.551 98 T N -1.640 112.935 114.554 0.036 0.000 3.160 98 T HA 0.425 4.774 4.350 -0.002 0.000 0.257 98 T C 1.109 175.838 174.700 0.048 0.000 1.147 98 T CA 1.530 63.654 62.100 0.039 0.000 1.064 98 T CB -0.009 68.881 68.868 0.036 0.000 0.949 98 T HN 1.435 nan 8.240 nan 0.000 0.526 99 S N 0.806 116.536 115.700 0.050 0.000 2.442 99 S HA 0.561 5.030 4.470 -0.002 0.000 0.297 99 S C -0.603 174.035 174.600 0.062 0.000 1.131 99 S CA -0.523 57.719 58.200 0.070 0.000 1.092 99 S CB 0.941 64.189 63.200 0.080 0.000 0.998 99 S HN 0.403 nan 8.310 nan 0.000 0.478 100 T N 3.718 118.323 114.554 0.085 0.000 2.861 100 T HA 0.798 5.147 4.350 -0.002 0.000 0.287 100 T C -0.780 173.983 174.700 0.106 0.000 1.003 100 T CA -0.465 61.656 62.100 0.034 0.000 0.977 100 T CB 1.586 70.464 68.868 0.015 0.000 0.996 100 T HN 0.873 nan 8.240 nan 0.000 0.448 101 A N 2.074 124.895 122.820 0.002 0.000 2.498 101 A HA 0.856 5.175 4.320 -0.002 0.000 0.298 101 A C -2.033 175.471 177.584 -0.133 0.000 1.075 101 A CA -0.900 51.192 52.037 0.091 0.000 0.714 101 A CB 1.257 20.338 19.000 0.137 0.000 1.299 101 A HN 0.791 nan 8.150 nan 0.000 0.407 102 W N -0.754 120.545 121.300 -0.002 0.000 2.736 102 W HA 0.697 5.355 4.660 -0.002 0.000 0.355 102 W C -0.937 175.596 176.519 0.023 0.000 1.102 102 W CA 0.002 57.365 57.345 0.030 0.000 1.164 102 W CB 1.561 31.030 29.460 0.014 0.000 1.422 102 W HN 0.670 nan 8.180 nan 0.000 0.572 103 Y N 2.567 123.011 120.300 0.241 0.000 2.442 103 Y HA 0.308 4.857 4.550 -0.002 0.000 0.330 103 Y C -0.380 175.712 175.900 0.320 0.000 1.100 103 Y CA -1.207 56.984 58.100 0.150 0.000 1.034 103 Y CB 0.955 39.444 38.460 0.048 0.000 1.285 103 Y HN 0.682 nan 8.280 nan 0.000 0.440 104 N N 0.901 119.633 118.700 0.052 0.000 3.587 104 N HA 0.364 5.103 4.740 -0.002 0.000 0.339 104 N C 0.699 175.808 175.510 -0.668 0.000 1.636 104 N CA -0.590 52.434 53.050 -0.044 0.000 0.788 104 N CB 0.544 38.922 38.487 -0.183 0.000 2.205 104 N HN 0.651 nan 8.380 nan 0.000 0.600 105 G N -0.163 107.880 108.800 -1.262 0.000 2.485 105 G HA2 -0.307 3.651 3.960 -0.002 0.000 0.221 105 G HA3 -0.307 3.651 3.960 -0.002 0.000 0.221 105 G C 1.003 175.616 174.900 -0.478 0.000 1.115 105 G CA 1.224 45.705 45.100 -1.033 0.000 0.751 105 G HN 0.640 nan 8.290 nan 0.000 0.567 106 N N -0.030 118.415 118.700 -0.425 0.000 2.322 106 N HA 0.327 5.066 4.740 -0.002 0.000 0.194 106 N C 1.111 176.409 175.510 -0.353 0.000 1.126 106 N CA 1.125 53.994 53.050 -0.301 0.000 0.845 106 N CB 0.173 38.514 38.487 -0.244 0.000 0.976 106 N HN 0.524 nan 8.380 nan 0.000 0.475 107 G N 0.055 108.492 108.800 -0.605 0.000 2.568 107 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.222 107 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.222 107 G C -2.759 171.548 174.900 -0.988 0.000 1.321 107 G CA -0.428 44.123 45.100 -0.915 0.000 0.893 107 G HN 0.198 nan 8.290 nan 0.000 0.569 108 P HA 0.494 nan 4.420 nan 0.000 0.274 108 P C -0.458 176.363 177.300 -0.799 0.000 1.231 108 P CA 0.422 63.041 63.100 -0.801 0.000 0.790 108 P CB 1.772 32.776 31.700 -1.161 0.000 0.951 109 S N 0.038 115.355 115.700 -0.638 0.000 2.533 109 S HA 0.308 4.777 4.470 -0.002 0.000 0.271 109 S C 1.056 175.771 174.600 0.192 0.000 1.143 109 S CA -0.238 57.870 58.200 -0.153 0.000 0.891 109 S CB 0.837 64.015 63.200 -0.035 0.000 1.105 109 S HN 0.446 nan 8.310 nan 0.000 0.468 110 S N 2.020 118.013 115.700 0.488 0.000 2.436 110 S HA 0.090 4.559 4.470 -0.002 0.000 0.228 110 S C 0.906 175.721 174.600 0.358 0.000 1.014 110 S CA 0.959 59.466 58.200 0.512 0.000 0.950 110 S CB -0.696 62.748 63.200 0.405 0.000 0.784 110 S HN 1.040 nan 8.310 nan 0.000 0.504 111 T N -0.350 114.340 114.554 0.227 0.000 2.918 111 T HA 0.495 4.844 4.350 -0.002 0.000 0.286 111 T C -0.669 173.945 174.700 -0.144 0.000 1.026 111 T CA -0.895 61.256 62.100 0.085 0.000 1.031 111 T CB 1.686 70.561 68.868 0.011 0.000 1.046 111 T HN 0.286 nan 8.240 nan 0.000 0.479 112 E N 3.012 122.871 120.200 -0.568 0.000 2.351 112 E HA 0.171 4.520 4.350 -0.002 0.000 0.266 112 E C -1.818 174.421 176.600 -0.601 0.000 1.031 112 E CA -1.575 54.087 56.400 -1.230 0.000 0.911 112 E CB 0.418 29.136 29.700 -1.636 0.000 0.986 112 E HN 0.462 nan 8.360 nan 0.000 0.446 113 P HA 0.073 nan 4.420 nan 0.000 0.274 113 P C -0.771 176.361 177.300 -0.280 0.000 1.246 113 P CA -0.192 62.742 63.100 -0.278 0.000 0.795 113 P CB 0.721 32.299 31.700 -0.203 0.000 1.006 114 N N -0.885 117.681 118.700 -0.223 0.000 2.159 114 N HA 0.410 5.148 4.740 -0.002 0.000 0.217 114 N C -0.136 175.244 175.510 -0.217 0.000 1.223 114 N CA -0.468 52.460 53.050 -0.203 0.000 0.896 114 N CB 0.745 39.123 38.487 -0.183 0.000 1.064 114 N HN 0.481 nan 8.380 nan 0.000 0.518 115 A N -0.474 122.212 122.820 -0.225 0.000 2.583 115 A HA 0.634 4.952 4.320 -0.002 0.000 0.289 115 A C -1.109 176.315 177.584 -0.268 0.000 1.151 115 A CA -0.328 51.557 52.037 -0.254 0.000 0.695 115 A CB 0.638 19.504 19.000 -0.223 0.000 1.290 115 A HN 0.081 nan 8.150 nan 0.000 0.419 116 D N 0.080 120.302 120.400 -0.296 0.000 3.068 116 D HA -0.110 4.529 4.640 -0.002 0.000 0.218 116 D C -0.511 175.525 176.300 -0.439 0.000 1.145 116 D CA 1.513 55.320 54.000 -0.322 0.000 0.896 116 D CB -1.155 39.474 40.800 -0.285 0.000 1.105 116 D HN 0.600 nan 8.370 nan 0.000 0.423 117 D N -0.652 119.481 120.400 -0.446 0.000 2.368 117 D HA 0.206 4.845 4.640 -0.002 0.000 0.240 117 D C 0.999 176.931 176.300 -0.612 0.000 1.169 117 D CA 0.118 53.849 54.000 -0.447 0.000 0.906 117 D CB 0.260 40.905 40.800 -0.260 0.000 1.187 117 D HN -0.013 nan 8.370 nan 0.000 0.435 118 F N 0.268 119.907 119.950 -0.519 0.000 2.450 118 F HA 0.160 4.686 4.527 -0.002 0.000 0.339 118 F C 0.501 176.026 175.800 -0.458 0.000 1.146 118 F CA -0.086 57.578 58.000 -0.560 0.000 1.267 118 F CB 0.431 38.775 39.000 -1.094 0.000 1.178 118 F HN 0.175 nan 8.300 nan 0.000 0.585 119 Y N 1.937 122.331 120.300 0.155 0.000 2.387 119 Y HA 0.586 5.135 4.550 -0.002 0.000 0.336 119 Y C -0.091 175.952 175.900 0.237 0.000 1.067 119 Y CA -0.736 57.506 58.100 0.237 0.000 1.114 119 Y CB 1.275 39.881 38.460 0.243 0.000 1.208 119 Y HN 0.233 nan 8.280 nan 0.000 0.458 120 I N 5.063 125.835 120.570 0.336 0.000 2.468 120 I HA 0.348 4.517 4.170 -0.002 0.000 0.284 120 I C -1.104 175.110 176.117 0.161 0.000 1.038 120 I CA -0.328 61.109 61.300 0.228 0.000 1.083 120 I CB 1.225 39.313 38.000 0.146 0.000 1.223 120 I HN 0.492 nan 8.210 nan 0.000 0.443 121 I N 8.079 128.767 120.570 0.197 0.000 2.502 121 I HA 0.310 4.479 4.170 -0.002 0.000 0.276 121 I C -2.411 173.803 176.117 0.163 0.000 1.057 121 I CA -1.810 59.597 61.300 0.177 0.000 1.163 121 I CB 1.216 39.377 38.000 0.268 0.000 1.288 121 I HN 0.183 nan 8.210 nan 0.000 0.479 122 P HA 0.072 nan 4.420 nan 0.000 0.264 122 P C -0.018 177.340 177.300 0.097 0.000 1.183 122 P CA 0.550 63.692 63.100 0.069 0.000 0.763 122 P CB 0.231 31.946 31.700 0.026 0.000 0.807 123 N N -0.779 117.976 118.700 0.092 0.000 2.936 123 N HA -0.248 4.491 4.740 -0.002 0.000 0.236 123 N C -0.361 175.256 175.510 0.179 0.000 0.930 123 N CA 0.285 53.395 53.050 0.101 0.000 0.966 123 N CB -1.900 36.634 38.487 0.078 0.000 1.090 123 N HN 0.416 nan 8.380 nan 0.000 0.592 124 F N 1.834 121.792 119.950 0.013 0.000 2.421 124 F HA 0.429 4.955 4.527 -0.002 0.000 0.358 124 F C 0.286 176.088 175.800 0.003 0.000 1.115 124 F CA -0.647 57.361 58.000 0.013 0.000 1.160 124 F CB 0.586 39.596 39.000 0.016 0.000 1.123 124 F HN -0.156 nan 8.300 nan 0.000 0.508 125 K N 4.509 124.819 120.400 -0.150 0.000 2.427 125 K HA 0.408 4.727 4.320 -0.002 0.000 0.252 125 K C -1.025 175.337 176.600 -0.397 0.000 0.931 125 K CA -0.574 55.527 56.287 -0.310 0.000 0.793 125 K CB 1.832 34.267 32.500 -0.107 0.000 1.211 125 K HN 0.613 nan 8.250 nan 0.000 0.426 126 T N 1.012 115.291 114.554 -0.458 0.000 2.888 126 T HA 0.602 4.951 4.350 -0.002 0.000 0.284 126 T C -2.583 171.914 174.700 -0.338 0.000 1.017 126 T CA -2.511 59.366 62.100 -0.373 0.000 1.022 126 T CB 1.449 70.073 68.868 -0.407 0.000 1.013 126 T HN 0.340 nan 8.240 nan 0.000 0.465 127 P HA 0.140 nan 4.420 nan 0.000 0.262 127 P C 0.258 177.201 177.300 -0.596 0.000 1.199 127 P CA 0.014 62.788 63.100 -0.544 0.000 0.763 127 P CB 0.357 31.488 31.700 -0.949 0.000 0.790 128 D N 2.850 123.045 120.400 -0.342 0.000 2.178 128 D HA -0.135 4.503 4.640 -0.002 0.000 0.201 128 D C 1.729 177.893 176.300 -0.226 0.000 0.980 128 D CA 1.072 54.931 54.000 -0.234 0.000 0.842 128 D CB -0.256 40.486 40.800 -0.096 0.000 0.948 128 D HN 0.604 nan 8.370 nan 0.000 0.472 129 W N 0.762 121.928 121.300 -0.223 0.000 2.425 129 W HA -0.066 4.593 4.660 -0.001 0.000 0.277 129 W C 1.559 177.876 176.519 -0.337 0.000 1.231 129 W CA -0.055 57.089 57.345 -0.335 0.000 1.248 129 W CB -0.997 28.025 29.460 -0.730 0.000 1.117 129 W HN -0.053 nan 8.180 nan 0.000 0.568 130 L N 2.217 122.882 121.223 -0.931 0.000 2.095 130 L HA -0.029 4.310 4.340 -0.002 0.000 0.204 130 L C 2.578 179.222 176.870 -0.377 0.000 1.080 130 L CA 1.863 56.244 54.840 -0.765 0.000 0.759 130 L CB -0.718 40.697 42.059 -1.072 0.000 0.914 130 L HN -0.216 nan 8.230 nan 0.000 0.439 131 K N -0.516 119.674 120.400 -0.351 0.000 2.097 131 K HA -0.072 4.247 4.320 -0.002 0.000 0.206 131 K C 1.387 177.898 176.600 -0.150 0.000 1.049 131 K CA 1.385 57.531 56.287 -0.235 0.000 0.933 131 K CB -0.186 32.186 32.500 -0.214 0.000 0.717 131 K HN 0.412 nan 8.250 nan 0.000 0.442 132 N N 0.291 118.927 118.700 -0.107 0.000 2.280 132 N HA 0.016 4.755 4.740 -0.002 0.000 0.192 132 N C 0.616 176.129 175.510 0.005 0.000 1.109 132 N CA 0.181 53.208 53.050 -0.039 0.000 0.855 132 N CB 0.846 39.327 38.487 -0.009 0.000 0.974 132 N HN 0.113 nan 8.380 nan 0.000 0.482 133 G N 0.176 108.984 108.800 0.013 0.000 2.531 133 G HA2 0.507 4.466 3.960 -0.002 0.000 0.313 133 G HA3 0.507 4.466 3.960 -0.002 0.000 0.313 133 G C -0.674 174.254 174.900 0.048 0.000 1.238 133 G CA -0.219 44.925 45.100 0.073 0.000 0.994 133 G HN -0.075 nan 8.290 nan 0.000 0.493 134 V N 0.733 120.696 119.914 0.082 0.000 2.531 134 V HA 0.450 4.569 4.120 -0.002 0.000 0.301 134 V C -0.064 176.101 176.094 0.117 0.000 1.034 134 V CA -0.503 61.841 62.300 0.073 0.000 0.865 134 V CB 1.549 33.412 31.823 0.067 0.000 0.995 134 V HN 0.771 nan 8.190 nan 0.000 0.424 135 M N 4.533 124.204 119.600 0.117 0.000 2.423 135 M HA 0.563 5.042 4.480 -0.002 0.000 0.335 135 M C -1.834 174.592 176.300 0.210 0.000 1.177 135 M CA -0.667 54.730 55.300 0.163 0.000 1.038 135 M CB 1.641 34.321 32.600 0.134 0.000 1.641 135 M HN 0.745 nan 8.290 nan 0.000 0.455 136 Y N 3.175 123.517 120.300 0.070 0.000 2.326 136 Y HA 0.313 4.862 4.550 -0.002 0.000 0.329 136 Y C -0.885 175.023 175.900 0.012 0.000 0.973 136 Y CA -0.522 57.599 58.100 0.036 0.000 1.162 136 Y CB 1.291 39.738 38.460 -0.022 0.000 1.147 136 Y HN 0.621 nan 8.280 nan 0.000 0.456 137 Q N 6.554 126.195 119.800 -0.266 0.000 2.278 137 Q HA 0.574 4.913 4.340 -0.002 0.000 0.257 137 Q C -1.546 174.227 176.000 -0.378 0.000 0.928 137 Q CA -0.470 55.196 55.803 -0.228 0.000 0.932 137 Q CB 0.885 29.616 28.738 -0.012 0.000 1.221 137 Q HN 0.813 nan 8.270 nan 0.000 0.434 138 I N 4.067 124.362 120.570 -0.460 0.000 2.436 138 I HA 0.268 4.437 4.170 -0.002 0.000 0.289 138 I C -0.965 174.838 176.117 -0.523 0.000 1.010 138 I CA -0.835 60.118 61.300 -0.578 0.000 1.098 138 I CB 1.449 39.050 38.000 -0.666 0.000 1.266 138 I HN 0.642 nan 8.210 nan 0.000 0.434 139 F N 9.294 128.794 119.950 -0.749 0.000 2.334 139 F HA 0.396 4.922 4.527 -0.002 0.000 0.365 139 F C -1.715 173.786 175.800 -0.498 0.000 1.124 139 F CA -2.040 55.662 58.000 -0.497 0.000 1.166 139 F CB 0.779 39.605 39.000 -0.291 0.000 1.355 139 F HN 0.330 nan 8.300 nan 0.000 0.532 140 P HA -0.324 nan 4.420 nan 0.000 0.222 140 P C 1.152 178.251 177.300 -0.334 0.000 1.159 140 P CA 2.083 64.789 63.100 -0.656 0.000 0.920 140 P CB 0.176 31.078 31.700 -1.331 0.000 0.793 141 D N -2.148 118.187 120.400 -0.109 0.000 2.350 141 D HA -0.129 4.510 4.640 -0.002 0.000 0.216 141 D C 1.344 177.860 176.300 0.361 0.000 0.968 141 D CA 0.748 54.929 54.000 0.301 0.000 0.894 141 D CB -0.008 41.078 40.800 0.476 0.000 0.909 141 D HN -0.024 nan 8.370 nan 0.000 0.520 142 R N -0.973 119.679 120.500 0.252 0.000 2.437 142 R HA 0.133 4.471 4.340 -0.002 0.000 0.257 142 R C 1.086 177.619 176.300 0.388 0.000 0.927 142 R CA -0.205 55.976 56.100 0.134 0.000 1.078 142 R CB -0.583 29.697 30.300 -0.032 0.000 1.161 142 R HN 0.303 nan 8.270 nan 0.000 0.529 143 F N -0.068 120.018 119.950 0.227 0.000 2.148 143 F HA 0.114 4.640 4.527 -0.002 0.000 0.285 143 F C 0.068 176.346 175.800 0.796 0.000 1.092 143 F CA 0.514 58.708 58.000 0.322 0.000 1.218 143 F CB 0.568 39.582 39.000 0.022 0.000 1.059 143 F HN -0.080 nan 8.300 nan 0.000 0.490 144 Y N 0.395 120.878 120.300 0.305 0.000 2.424 144 Y HA 0.223 4.772 4.550 -0.002 0.000 0.323 144 Y C -1.352 174.450 175.900 -0.164 0.000 1.174 144 Y CA -1.445 56.590 58.100 -0.109 0.000 1.060 144 Y CB 0.526 38.765 38.460 -0.368 0.000 1.314 144 Y HN -0.108 nan 8.280 nan 0.000 0.439 145 N N 3.399 121.450 118.700 -1.083 0.000 2.482 145 N HA 0.224 4.963 4.740 -0.002 0.000 0.242 145 N C 0.501 175.387 175.510 -1.039 0.000 1.100 145 N CA 0.648 53.241 53.050 -0.762 0.000 0.946 145 N CB 1.314 39.463 38.487 -0.562 0.000 1.227 145 N HN 0.976 nan 8.380 nan 0.000 0.508 146 G N 1.309 109.737 108.800 -0.620 0.000 2.880 146 G HA2 -0.054 3.905 3.960 -0.002 0.000 0.209 146 G HA3 -0.054 3.905 3.960 -0.002 0.000 0.209 146 G C -0.060 174.709 174.900 -0.217 0.000 1.157 146 G CA 0.015 44.884 45.100 -0.386 0.000 0.779 146 G HN 0.555 nan 8.290 nan 0.000 0.539 147 D N -0.491 119.796 120.400 -0.189 0.000 2.365 147 D HA 0.158 4.796 4.640 -0.002 0.000 0.235 147 D C 1.335 177.579 176.300 -0.092 0.000 1.368 147 D CA -0.154 53.780 54.000 -0.109 0.000 1.001 147 D CB 0.945 41.712 40.800 -0.056 0.000 1.364 147 D HN -0.001 nan 8.370 nan 0.000 0.577 148 S N 1.216 116.858 115.700 -0.098 0.000 2.481 148 S HA -0.147 4.322 4.470 -0.002 0.000 0.231 148 S C 1.803 176.379 174.600 -0.039 0.000 0.996 148 S CA 1.046 59.205 58.200 -0.069 0.000 0.942 148 S CB -0.234 62.923 63.200 -0.072 0.000 0.768 148 S HN 0.371 nan 8.310 nan 0.000 0.520 149 S N 3.083 118.761 115.700 -0.037 0.000 2.447 149 S HA -0.123 4.346 4.470 -0.002 0.000 0.233 149 S C 1.359 175.947 174.600 -0.019 0.000 1.006 149 S CA 0.949 59.133 58.200 -0.026 0.000 0.957 149 S CB -0.813 62.373 63.200 -0.024 0.000 0.773 149 S HN 0.820 nan 8.310 nan 0.000 0.507 150 N N 0.473 119.165 118.700 -0.013 0.000 2.230 150 N HA 0.169 4.908 4.740 -0.002 0.000 0.202 150 N C -1.090 174.416 175.510 -0.008 0.000 1.119 150 N CA -0.304 52.741 53.050 -0.007 0.000 0.851 150 N CB -0.476 38.018 38.487 0.011 0.000 0.990 150 N HN 0.130 nan 8.380 nan 0.000 0.497 151 D N 0.618 121.016 120.400 -0.004 0.000 2.488 151 D HA 0.014 4.653 4.640 -0.002 0.000 0.238 151 D C -0.149 176.121 176.300 -0.050 0.000 1.138 151 D CA 0.007 54.009 54.000 0.003 0.000 0.873 151 D CB 1.316 42.125 40.800 0.015 0.000 1.183 151 D HN -0.106 nan 8.370 nan 0.000 0.458 152 V N 4.255 124.103 119.914 -0.111 0.000 2.455 152 V HA 0.037 4.156 4.120 -0.002 0.000 0.273 152 V C 0.648 176.649 176.094 -0.155 0.000 1.045 152 V CA -0.333 61.816 62.300 -0.252 0.000 0.976 152 V CB 0.782 32.160 31.823 -0.741 0.000 0.993 152 V HN 0.347 nan 8.190 nan 0.000 0.475 153 Q N 2.063 121.788 119.800 -0.125 0.000 2.180 153 Q HA 0.383 4.722 4.340 -0.002 0.000 0.241 153 Q C 0.134 176.078 176.000 -0.092 0.000 0.970 153 Q CA -0.481 55.274 55.803 -0.080 0.000 0.919 153 Q CB 1.035 29.743 28.738 -0.051 0.000 1.222 153 Q HN 0.667 nan 8.270 nan 0.000 0.482 154 T N 0.876 115.392 114.554 -0.063 0.000 2.817 154 T HA 0.304 4.653 4.350 -0.002 0.000 0.295 154 T C 0.992 175.695 174.700 0.006 0.000 0.958 154 T CA 1.015 63.092 62.100 -0.038 0.000 1.157 154 T CB -0.062 68.772 68.868 -0.055 0.000 0.898 154 T HN 0.801 nan 8.240 nan 0.000 0.536 155 G N 3.032 111.848 108.800 0.026 0.000 2.176 155 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.253 155 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.253 155 G C 1.394 176.277 174.900 -0.029 0.000 0.979 155 G CA 0.450 45.561 45.100 0.017 0.000 0.641 155 G HN 0.669 nan 8.290 nan 0.000 0.530 156 S N -0.778 114.870 115.700 -0.087 0.000 2.387 156 S HA 0.127 4.596 4.470 -0.002 0.000 0.230 156 S C 0.761 175.399 174.600 0.065 0.000 1.035 156 S CA 2.071 60.244 58.200 -0.045 0.000 1.014 156 S CB -0.254 62.892 63.200 -0.090 0.000 0.836 156 S HN 1.608 nan 8.310 nan 0.000 0.466 157 Y N -1.444 118.833 120.300 -0.038 0.000 2.713 157 Y HA 0.603 5.152 4.550 -0.002 0.000 0.335 157 Y C -0.772 175.132 175.900 0.007 0.000 1.222 157 Y CA -1.334 56.747 58.100 -0.032 0.000 1.061 157 Y CB 0.693 39.115 38.460 -0.065 0.000 1.314 157 Y HN -0.064 nan 8.280 nan 0.000 0.453 158 T N -0.813 113.907 114.554 0.276 0.000 2.908 158 T HA 0.637 4.986 4.350 -0.002 0.000 0.290 158 T C -1.892 172.963 174.700 0.259 0.000 1.034 158 T CA -0.677 61.525 62.100 0.170 0.000 1.010 158 T CB 2.088 70.986 68.868 0.050 0.000 1.068 158 T HN 1.032 nan 8.240 nan 0.000 0.481 159 Y N 2.128 122.456 120.300 0.047 0.000 2.354 159 Y HA 0.436 4.984 4.550 -0.002 0.000 0.330 159 Y C 0.576 176.381 175.900 -0.159 0.000 1.011 159 Y CA -0.587 57.475 58.100 -0.063 0.000 1.099 159 Y CB 1.223 39.714 38.460 0.052 0.000 1.179 159 Y HN 1.105 nan 8.280 nan 0.000 0.442 160 N N 4.454 122.487 118.700 -1.112 0.000 2.721 160 N HA -0.253 4.486 4.740 -0.002 0.000 0.249 160 N C 0.847 176.155 175.510 -0.337 0.000 1.072 160 N CA 0.980 53.514 53.050 -0.861 0.000 0.710 160 N CB -0.974 36.946 38.487 -0.945 0.000 0.993 160 N HN 1.495 nan 8.380 nan 0.000 0.547 161 G N -1.940 106.724 108.800 -0.227 0.000 2.199 161 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.254 161 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.254 161 G C 0.099 174.955 174.900 -0.073 0.000 0.982 161 G CA 0.704 45.740 45.100 -0.106 0.000 0.632 161 G HN 0.492 nan 8.290 nan 0.000 0.529 162 T N 2.916 117.437 114.554 -0.055 0.000 2.794 162 T HA 0.588 4.937 4.350 -0.002 0.000 0.280 162 T C -2.494 172.220 174.700 0.023 0.000 0.987 162 T CA -0.978 61.111 62.100 -0.017 0.000 0.993 162 T CB 2.631 71.520 68.868 0.036 0.000 0.939 162 T HN 0.060 nan 8.240 nan 0.000 0.449 163 P HA 0.255 nan 4.420 nan 0.000 0.276 163 P C 0.134 177.516 177.300 0.136 0.000 1.244 163 P CA -0.541 62.574 63.100 0.024 0.000 0.801 163 P CB 0.312 32.011 31.700 -0.003 0.000 1.006 164 T N -1.754 112.802 114.554 0.003 0.000 2.868 164 T HA 0.367 4.716 4.350 -0.002 0.000 0.292 164 T C -0.327 174.451 174.700 0.131 0.000 1.028 164 T CA -0.604 61.510 62.100 0.022 0.000 1.059 164 T CB 0.745 69.383 68.868 -0.383 0.000 0.991 164 T HN 0.494 nan 8.240 nan 0.000 0.531 165 E N 0.281 120.530 120.200 0.082 0.000 2.256 165 E HA 0.372 4.721 4.350 -0.002 0.000 0.268 165 E C -1.171 175.377 176.600 -0.086 0.000 0.877 165 E CA -0.889 55.388 56.400 -0.205 0.000 0.757 165 E CB 1.569 30.903 29.700 -0.610 0.000 1.183 165 E HN 0.707 nan 8.360 nan 0.000 0.418 166 K N 3.871 124.188 120.400 -0.138 0.000 2.185 166 K HA 0.312 4.631 4.320 -0.002 0.000 0.269 166 K C -0.833 175.620 176.600 -0.244 0.000 0.987 166 K CA -0.729 55.489 56.287 -0.115 0.000 0.865 166 K CB 0.842 33.303 32.500 -0.066 0.000 1.090 166 K HN 0.276 nan 8.250 nan 0.000 0.450 167 K N 1.839 121.978 120.400 -0.435 0.000 2.156 167 K HA 0.393 4.712 4.320 -0.002 0.000 0.250 167 K C -0.544 175.785 176.600 -0.451 0.000 0.955 167 K CA -0.745 55.191 56.287 -0.585 0.000 0.855 167 K CB 1.911 33.728 32.500 -1.137 0.000 1.101 167 K HN 0.760 nan 8.250 nan 0.000 0.434 168 A N 2.038 124.729 122.820 -0.216 0.000 2.407 168 A HA 0.076 4.395 4.320 -0.002 0.000 0.248 168 A C -0.276 177.386 177.584 0.130 0.000 1.082 168 A CA -0.490 51.547 52.037 -0.001 0.000 0.785 168 A CB 0.152 19.174 19.000 0.037 0.000 1.020 168 A HN 0.730 nan 8.150 nan 0.000 0.489 169 W N 1.683 123.063 121.300 0.133 0.000 2.295 169 W HA 0.320 4.979 4.660 -0.002 0.000 0.335 169 W C 1.020 177.706 176.519 0.280 0.000 1.351 169 W CA 1.832 59.365 57.345 0.313 0.000 1.273 169 W CB 0.493 30.099 29.460 0.244 0.000 1.214 169 W HN 1.409 nan 8.180 nan 0.000 0.563 170 G N 2.746 111.509 108.800 -0.062 0.000 2.217 170 G HA2 -0.317 3.641 3.960 -0.002 0.000 0.246 170 G HA3 -0.317 3.641 3.960 -0.002 0.000 0.246 170 G C 0.317 175.269 174.900 0.086 0.000 0.990 170 G CA 0.304 45.397 45.100 -0.011 0.000 0.627 170 G HN 0.911 nan 8.290 nan 0.000 0.522 171 S N -0.021 115.797 115.700 0.197 0.000 2.634 171 S HA 0.686 5.155 4.470 -0.002 0.000 0.261 171 S C 0.751 175.489 174.600 0.229 0.000 1.271 171 S CA 0.706 59.001 58.200 0.158 0.000 0.985 171 S CB 1.527 64.770 63.200 0.072 0.000 0.968 171 S HN 1.538 nan 8.310 nan 0.000 0.568 172 S N -0.607 115.195 115.700 0.170 0.000 2.573 172 S HA 0.094 4.562 4.470 -0.002 0.000 0.277 172 S C 1.163 175.928 174.600 0.274 0.000 1.346 172 S CA -0.263 58.059 58.200 0.204 0.000 1.034 172 S CB 0.253 63.582 63.200 0.214 0.000 0.879 172 S HN 1.388 nan 8.310 nan 0.000 0.528 173 V N 2.751 122.768 119.914 0.170 0.000 3.235 173 V HA 0.306 4.424 4.120 -0.002 0.000 0.259 173 V C 0.279 176.357 176.094 -0.027 0.000 1.133 173 V CA 0.100 62.460 62.300 0.100 0.000 1.128 173 V CB -1.321 30.403 31.823 -0.166 0.000 0.757 173 V HN 0.764 nan 8.190 nan 0.000 0.469 174 Y N 2.125 122.468 120.300 0.071 0.000 2.526 174 Y HA 0.538 5.087 4.550 -0.002 0.000 0.330 174 Y C 1.138 177.064 175.900 0.043 0.000 1.156 174 Y CA 0.225 58.356 58.100 0.052 0.000 1.419 174 Y CB 0.161 38.645 38.460 0.041 0.000 1.250 174 Y HN 0.325 nan 8.280 nan 0.000 0.540 175 A N 3.484 126.413 122.820 0.181 0.000 2.407 175 A HA 0.192 4.510 4.320 -0.002 0.000 0.248 175 A C -0.122 177.562 177.584 0.166 0.000 1.082 175 A CA -0.770 51.350 52.037 0.139 0.000 0.785 175 A CB 0.080 19.182 19.000 0.169 0.000 1.020 175 A HN 0.715 nan 8.150 nan 0.000 0.489 176 D N 1.375 121.863 120.400 0.147 0.000 2.383 176 D HA 0.416 5.054 4.640 -0.002 0.000 0.248 176 D C -2.430 174.038 176.300 0.279 0.000 1.170 176 D CA -1.255 52.853 54.000 0.179 0.000 0.977 176 D CB -0.101 40.774 40.800 0.125 0.000 1.120 176 D HN 0.229 nan 8.370 nan 0.000 0.481 177 P HA 0.121 nan 4.420 nan 0.000 0.262 177 P C 0.702 178.061 177.300 0.098 0.000 1.182 177 P CA 0.872 64.047 63.100 0.126 0.000 0.761 177 P CB 0.435 32.183 31.700 0.080 0.000 0.795 178 G N 0.915 109.706 108.800 -0.015 0.000 2.194 178 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.236 178 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.236 178 G C -0.261 174.364 174.900 -0.458 0.000 0.987 178 G CA -0.376 44.578 45.100 -0.242 0.000 0.635 178 G HN 0.461 nan 8.290 nan 0.000 0.520 179 Y N -0.149 120.173 120.300 0.036 0.000 2.686 179 Y HA 0.704 5.252 4.550 -0.002 0.000 0.330 179 Y C 0.001 175.935 175.900 0.058 0.000 1.082 179 Y CA -0.803 57.322 58.100 0.042 0.000 1.158 179 Y CB 1.494 39.976 38.460 0.037 0.000 1.333 179 Y HN 0.095 nan 8.280 nan 0.000 0.519 180 D N -0.883 119.666 120.400 0.248 0.000 2.619 180 D HA 0.307 4.946 4.640 -0.002 0.000 0.241 180 D C 0.144 176.528 176.300 0.140 0.000 1.087 180 D CA -0.425 53.678 54.000 0.172 0.000 0.851 180 D CB 1.091 41.989 40.800 0.162 0.000 1.474 180 D HN 0.386 nan 8.370 nan 0.000 0.478 181 N N 0.686 119.456 118.700 0.115 0.000 2.192 181 N HA -0.171 4.568 4.740 -0.002 0.000 0.188 181 N C 1.464 176.998 175.510 0.040 0.000 1.013 181 N CA 1.224 54.312 53.050 0.064 0.000 0.863 181 N CB -0.192 38.326 38.487 0.051 0.000 0.990 181 N HN 0.510 nan 8.380 nan 0.000 0.430 182 S N -0.441 115.308 115.700 0.082 0.000 2.603 182 S HA 0.110 4.578 4.470 -0.002 0.000 0.220 182 S C 1.131 175.708 174.600 -0.038 0.000 0.967 182 S CA 0.079 58.329 58.200 0.083 0.000 0.920 182 S CB -0.114 63.193 63.200 0.177 0.000 0.773 182 S HN 0.220 nan 8.310 nan 0.000 0.529 183 L N 1.777 122.993 121.223 -0.011 0.000 3.218 183 L HA 0.465 4.804 4.340 -0.002 0.000 0.279 183 L C -0.882 175.950 176.870 -0.063 0.000 1.287 183 L CA -0.349 54.508 54.840 0.029 0.000 1.024 183 L CB 1.129 43.318 42.059 0.217 0.000 1.409 183 L HN 0.106 nan 8.230 nan 0.000 0.580 184 V N 0.439 120.158 119.914 -0.326 0.000 2.394 184 V HA 0.447 4.566 4.120 -0.002 0.000 0.282 184 V C -0.468 175.366 176.094 -0.432 0.000 1.031 184 V CA -0.220 61.960 62.300 -0.201 0.000 0.881 184 V CB 1.534 33.324 31.823 -0.054 0.000 0.982 184 V HN 0.046 nan 8.190 nan 0.000 0.451 185 F N 3.683 123.669 119.950 0.060 0.000 2.551 185 F HA 0.580 5.106 4.527 -0.002 0.000 0.316 185 F C 0.190 176.056 175.800 0.111 0.000 1.089 185 F CA -0.672 57.428 58.000 0.167 0.000 0.915 185 F CB 1.766 40.825 39.000 0.098 0.000 1.186 185 F HN 0.316 nan 8.300 nan 0.000 0.456 186 F N 0.539 120.671 119.950 0.304 0.000 2.717 186 F HA 0.344 4.870 4.527 -0.002 0.000 0.297 186 F C 1.722 177.792 175.800 0.451 0.000 1.113 186 F CA 0.456 58.644 58.000 0.313 0.000 1.319 186 F CB 0.497 39.593 39.000 0.160 0.000 1.097 186 F HN 0.704 nan 8.300 nan 0.000 0.595 187 G N -0.062 109.079 108.800 0.568 0.000 2.184 187 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.206 187 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.206 187 G C 0.752 175.845 174.900 0.321 0.000 0.995 187 G CA -0.358 44.968 45.100 0.377 0.000 0.651 187 G HN 0.659 nan 8.290 nan 0.000 0.511 188 G N 0.600 109.675 108.800 0.458 0.000 2.414 188 G HA2 0.527 4.486 3.960 -0.002 0.000 0.236 188 G HA3 0.527 4.486 3.960 -0.002 0.000 0.236 188 G C 0.024 174.999 174.900 0.125 0.000 1.293 188 G CA 1.078 46.347 45.100 0.282 0.000 0.869 188 G HN 1.038 nan 8.290 nan 0.000 0.556 189 D N 0.159 120.560 120.400 0.002 0.000 2.664 189 D HA 0.225 4.864 4.640 -0.002 0.000 0.292 189 D C 1.234 177.481 176.300 -0.089 0.000 1.214 189 D CA -0.934 53.041 54.000 -0.040 0.000 0.932 189 D CB 0.447 41.296 40.800 0.082 0.000 1.420 189 D HN 0.175 nan 8.370 nan 0.000 0.471 190 L N -0.179 121.004 121.223 -0.066 0.000 2.093 190 L HA -0.034 4.304 4.340 -0.002 0.000 0.208 190 L C 2.428 179.294 176.870 -0.006 0.000 1.085 190 L CA 1.627 56.435 54.840 -0.052 0.000 0.755 190 L CB -0.721 41.328 42.059 -0.018 0.000 0.904 190 L HN 0.639 nan 8.230 nan 0.000 0.435 191 A N 0.632 123.453 122.820 0.002 0.000 1.933 191 A HA -0.130 4.189 4.320 -0.002 0.000 0.218 191 A C 2.412 180.012 177.584 0.026 0.000 1.175 191 A CA 1.757 53.795 52.037 0.001 0.000 0.628 191 A CB -1.149 17.841 19.000 -0.016 0.000 0.814 191 A HN 0.442 nan 8.150 nan 0.000 0.444 192 G N 0.099 108.916 108.800 0.029 0.000 2.421 192 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.216 192 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.216 192 G C 1.522 176.576 174.900 0.256 0.000 1.171 192 G CA 1.116 46.319 45.100 0.170 0.000 0.775 192 G HN 0.487 nan 8.290 nan 0.000 0.543 193 I N 0.895 121.595 120.570 0.216 0.000 2.226 193 I HA -0.159 4.010 4.170 -0.002 0.000 0.245 193 I C 2.445 178.642 176.117 0.133 0.000 1.100 193 I CA 1.547 63.005 61.300 0.262 0.000 1.374 193 I CB -0.261 37.795 38.000 0.093 0.000 1.057 193 I HN 0.135 nan 8.210 nan 0.000 0.413 194 D N 0.839 121.272 120.400 0.056 0.000 2.123 194 D HA -0.229 4.410 4.640 -0.002 0.000 0.196 194 D C 2.182 178.480 176.300 -0.003 0.000 0.992 194 D CA 1.552 55.559 54.000 0.011 0.000 0.833 194 D CB -0.008 40.789 40.800 -0.006 0.000 0.954 194 D HN 0.354 nan 8.370 nan 0.000 0.455 195 Q N -0.989 118.809 119.800 -0.002 0.000 2.369 195 Q HA -0.004 4.335 4.340 -0.002 0.000 0.206 195 Q C 1.062 176.962 176.000 -0.166 0.000 0.963 195 Q CA 0.652 56.414 55.803 -0.067 0.000 0.894 195 Q CB 0.304 29.022 28.738 -0.033 0.000 0.965 195 Q HN 0.097 nan 8.270 nan 0.000 0.475 196 K N 0.305 120.627 120.400 -0.130 0.000 2.399 196 K HA 0.164 4.483 4.320 -0.002 0.000 0.204 196 K C 1.324 177.972 176.600 0.080 0.000 1.023 196 K CA 0.002 56.195 56.287 -0.156 0.000 1.127 196 K CB 0.513 32.864 32.500 -0.249 0.000 0.856 196 K HN 0.227 nan 8.250 nan 0.000 0.514 197 L N -0.005 121.241 121.223 0.038 0.000 2.191 197 L HA -0.139 4.200 4.340 -0.002 0.000 0.212 197 L C 2.155 179.032 176.870 0.012 0.000 1.103 197 L CA 1.428 56.284 54.840 0.026 0.000 0.769 197 L CB -0.518 41.534 42.059 -0.012 0.000 0.908 197 L HN 0.274 nan 8.230 nan 0.000 0.438 198 G N -0.948 107.858 108.800 0.010 0.000 2.418 198 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.217 198 G HA3 -0.353 3.606 3.960 -0.002 0.000 0.217 198 G C 1.424 176.357 174.900 0.054 0.000 1.158 198 G CA 0.710 45.816 45.100 0.011 0.000 0.771 198 G HN 0.356 nan 8.290 nan 0.000 0.545 199 Y N 1.416 121.714 120.300 -0.003 0.000 2.145 199 Y HA -0.081 4.468 4.550 -0.002 0.000 0.286 199 Y C 2.549 178.446 175.900 -0.004 0.000 1.145 199 Y CA 1.369 59.505 58.100 0.060 0.000 1.148 199 Y CB -0.286 38.311 38.460 0.227 0.000 0.981 199 Y HN 0.197 nan 8.280 nan 0.000 0.507 200 I N 0.260 120.742 120.570 -0.147 0.000 2.113 200 I HA -0.315 3.853 4.170 -0.002 0.000 0.238 200 I C 2.219 178.184 176.117 -0.253 0.000 1.070 200 I CA 1.939 63.019 61.300 -0.368 0.000 1.332 200 I CB -0.431 37.423 38.000 -0.244 0.000 1.044 200 I HN 0.116 nan 8.210 nan 0.000 0.402 201 K N 0.322 120.644 120.400 -0.130 0.000 2.296 201 K HA -0.032 4.287 4.320 -0.002 0.000 0.200 201 K C 1.858 178.411 176.600 -0.078 0.000 1.048 201 K CA 0.824 57.059 56.287 -0.087 0.000 0.966 201 K CB 0.182 32.648 32.500 -0.057 0.000 0.754 201 K HN 0.306 nan 8.250 nan 0.000 0.466 202 K N -0.665 119.687 120.400 -0.081 0.000 2.309 202 K HA 0.106 4.425 4.320 -0.002 0.000 0.210 202 K C 2.061 178.622 176.600 -0.065 0.000 1.114 202 K CA 0.573 56.827 56.287 -0.055 0.000 0.912 202 K CB 0.170 32.654 32.500 -0.026 0.000 1.198 202 K HN -0.122 nan 8.250 nan 0.000 0.471 203 T N 2.547 117.057 114.554 -0.074 0.000 2.652 203 T HA -0.093 4.256 4.350 -0.002 0.000 0.267 203 T C 1.887 176.503 174.700 -0.141 0.000 1.039 203 T CA 1.272 63.336 62.100 -0.059 0.000 1.153 203 T CB -0.139 68.761 68.868 0.052 0.000 0.863 203 T HN 0.039 nan 8.240 nan 0.000 0.428 204 L N -0.506 120.534 121.223 -0.305 0.000 2.130 204 L HA 0.295 4.633 4.340 -0.002 0.000 0.200 204 L C 2.270 179.064 176.870 -0.126 0.000 1.075 204 L CA 0.960 55.657 54.840 -0.238 0.000 0.768 204 L CB -0.410 41.420 42.059 -0.382 0.000 0.933 204 L HN 0.562 nan 8.230 nan 0.000 0.451 205 G N -0.403 108.317 108.800 -0.134 0.000 2.192 205 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.193 205 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.193 205 G C 0.330 175.208 174.900 -0.037 0.000 0.999 205 G CA -0.160 44.900 45.100 -0.066 0.000 0.659 205 G HN 0.495 nan 8.290 nan 0.000 0.503 206 A N 0.416 123.204 122.820 -0.053 0.000 2.462 206 A HA 0.587 4.905 4.320 -0.002 0.000 0.243 206 A C 0.997 178.598 177.584 0.027 0.000 1.076 206 A CA 0.959 53.004 52.037 0.013 0.000 0.773 206 A CB -0.021 19.003 19.000 0.042 0.000 1.010 206 A HN 1.222 nan 8.150 nan 0.000 0.493 207 N N 0.785 119.537 118.700 0.088 0.000 2.171 207 N HA 0.303 5.041 4.740 -0.002 0.000 0.212 207 N C -0.616 175.011 175.510 0.194 0.000 1.184 207 N CA -0.274 52.846 53.050 0.116 0.000 0.888 207 N CB 0.295 38.875 38.487 0.154 0.000 1.038 207 N HN 0.507 nan 8.380 nan 0.000 0.517 208 I N 1.196 121.883 120.570 0.194 0.000 2.466 208 I HA 0.339 4.508 4.170 -0.002 0.000 0.289 208 I C -1.291 174.934 176.117 0.180 0.000 1.026 208 I CA -1.029 60.410 61.300 0.231 0.000 1.078 208 I CB 2.064 40.242 38.000 0.297 0.000 1.249 208 I HN -0.052 nan 8.210 nan 0.000 0.429 209 L N 6.824 128.130 121.223 0.138 0.000 2.322 209 L HA 0.428 4.767 4.340 -0.002 0.000 0.281 209 L C -0.896 176.050 176.870 0.127 0.000 1.014 209 L CA -0.537 54.363 54.840 0.101 0.000 0.815 209 L CB 1.220 43.285 42.059 0.010 0.000 1.247 209 L HN 0.382 nan 8.230 nan 0.000 0.421 210 Y N 4.535 124.816 120.300 -0.032 0.000 2.331 210 Y HA 0.710 5.259 4.550 -0.002 0.000 0.334 210 Y C -1.553 174.263 175.900 -0.140 0.000 0.960 210 Y CA -1.546 56.510 58.100 -0.072 0.000 1.130 210 Y CB 1.017 39.449 38.460 -0.048 0.000 1.164 210 Y HN 0.425 nan 8.280 nan 0.000 0.458 211 L N 6.012 127.016 121.223 -0.365 0.000 2.329 211 L HA 0.476 4.815 4.340 -0.002 0.000 0.279 211 L C -0.008 176.460 176.870 -0.669 0.000 1.014 211 L CA -0.964 53.531 54.840 -0.574 0.000 0.814 211 L CB 1.629 43.445 42.059 -0.405 0.000 1.257 211 L HN 0.675 nan 8.230 nan 0.000 0.424 212 N N 2.221 120.485 118.700 -0.728 0.000 2.288 212 N HA 0.145 4.884 4.740 -0.002 0.000 0.237 212 N C -2.492 172.682 175.510 -0.561 0.000 1.311 212 N CA -0.730 51.952 53.050 -0.614 0.000 0.909 212 N CB 0.038 38.145 38.487 -0.635 0.000 1.167 212 N HN 0.369 nan 8.380 nan 0.000 0.476 213 P HA -0.096 nan 4.420 nan 0.000 0.261 213 P C -0.039 177.021 177.300 -0.400 0.000 1.165 213 P CA 0.821 63.581 63.100 -0.567 0.000 0.759 213 P CB 0.132 31.417 31.700 -0.692 0.000 0.772 214 I N -1.747 118.513 120.570 -0.516 0.000 4.240 214 I HA 0.298 4.467 4.170 -0.002 0.000 0.331 214 I C -0.216 175.794 176.117 -0.177 0.000 1.381 214 I CA -0.206 60.973 61.300 -0.202 0.000 1.136 214 I CB 0.069 37.889 38.000 -0.299 0.000 1.137 214 I HN -0.082 nan 8.210 nan 0.000 0.411 215 F N 2.302 122.212 119.950 -0.067 0.000 2.378 215 F HA 0.401 4.927 4.527 -0.002 0.000 0.319 215 F C 1.019 176.714 175.800 -0.176 0.000 1.155 215 F CA -1.312 56.630 58.000 -0.095 0.000 1.157 215 F CB 0.369 39.324 39.000 -0.076 0.000 1.252 215 F HN -0.108 nan 8.300 nan 0.000 0.550 216 K N 1.340 121.766 120.400 0.043 0.000 2.466 216 K HA 0.390 4.709 4.320 -0.002 0.000 0.278 216 K C -0.903 175.606 176.600 -0.153 0.000 1.048 216 K CA 0.304 56.528 56.287 -0.106 0.000 1.088 216 K CB -0.225 32.213 32.500 -0.103 0.000 0.884 216 K HN 0.802 nan 8.250 nan 0.000 0.478 217 A N 5.535 128.236 122.820 -0.198 0.000 2.594 217 A HA 0.390 4.709 4.320 -0.002 0.000 0.296 217 A C -2.443 175.013 177.584 -0.213 0.000 1.061 217 A CA -1.145 50.774 52.037 -0.196 0.000 0.689 217 A CB 1.526 20.412 19.000 -0.191 0.000 1.280 217 A HN 0.614 nan 8.150 nan 0.000 0.406 218 P HA -0.017 nan 4.420 nan 0.000 0.225 218 P C 0.910 178.212 177.300 0.004 0.000 1.156 218 P CA 1.575 64.573 63.100 -0.171 0.000 0.787 218 P CB -0.174 31.313 31.700 -0.355 0.000 0.802 219 T N -1.610 112.823 114.554 -0.202 0.000 2.770 219 T HA 0.138 4.487 4.350 -0.002 0.000 0.281 219 T C 1.346 175.967 174.700 -0.131 0.000 0.981 219 T CA -0.439 61.528 62.100 -0.223 0.000 0.955 219 T CB 0.134 68.600 68.868 -0.670 0.000 1.060 219 T HN 0.166 nan 8.240 nan 0.000 0.531 220 N N -0.214 118.302 118.700 -0.307 0.000 2.424 220 N HA -0.113 4.625 4.740 -0.002 0.000 0.178 220 N C 1.704 177.210 175.510 -0.006 0.000 1.060 220 N CA 0.302 53.203 53.050 -0.247 0.000 0.901 220 N CB -0.383 37.791 38.487 -0.521 0.000 0.979 220 N HN 0.856 nan 8.380 nan 0.000 0.451 221 H N 0.560 119.694 119.070 0.107 0.000 2.520 221 H HA 0.238 4.793 4.556 -0.002 0.000 0.279 221 H C -0.014 175.243 175.328 -0.117 0.000 0.990 221 H CA 0.194 56.304 56.048 0.103 0.000 1.288 221 H CB 0.087 30.120 29.762 0.453 0.000 1.446 221 H HN -0.009 nan 8.280 nan 0.000 0.538 222 K N -0.011 120.186 120.400 -0.338 0.000 3.117 222 K HA -0.229 4.090 4.320 -0.002 0.000 0.269 222 K C -0.561 175.966 176.600 -0.122 0.000 1.098 222 K CA 0.718 56.857 56.287 -0.246 0.000 0.785 222 K CB -2.130 30.220 32.500 -0.250 0.000 1.242 222 K HN 0.409 nan 8.250 nan 0.000 0.491 223 Y N 0.962 121.437 120.300 0.292 0.000 2.490 223 Y HA -0.026 4.523 4.550 -0.002 0.000 0.281 223 Y C 1.196 177.222 175.900 0.211 0.000 1.174 223 Y CA 0.475 58.719 58.100 0.240 0.000 1.295 223 Y CB 0.377 38.990 38.460 0.255 0.000 1.062 223 Y HN 0.213 nan 8.280 nan 0.000 0.522 224 D N -0.388 120.155 120.400 0.238 0.000 2.772 224 D HA 0.053 4.692 4.640 -0.002 0.000 0.273 224 D C -0.284 176.035 176.300 0.033 0.000 1.233 224 D CA -0.269 53.833 54.000 0.169 0.000 0.984 224 D CB -0.371 40.498 40.800 0.114 0.000 1.000 224 D HN -0.105 nan 8.370 nan 0.000 0.514 225 T N 0.817 115.364 114.554 -0.013 0.000 2.891 225 T HA -0.094 4.255 4.350 -0.002 0.000 0.296 225 T C 1.003 175.630 174.700 -0.122 0.000 1.025 225 T CA 0.427 62.411 62.100 -0.192 0.000 1.149 225 T CB 1.687 70.199 68.868 -0.592 0.000 1.007 225 T HN 0.439 nan 8.240 nan 0.000 0.528 226 Q N 1.146 120.829 119.800 -0.194 0.000 2.391 226 Q HA 0.085 4.424 4.340 -0.002 0.000 0.243 226 Q C -0.269 175.385 176.000 -0.576 0.000 0.874 226 Q CA 0.203 55.858 55.803 -0.246 0.000 0.950 226 Q CB 0.792 29.457 28.738 -0.122 0.000 1.103 226 Q HN 0.629 nan 8.270 nan 0.000 0.544 227 D N -0.862 119.287 120.400 -0.417 0.000 2.354 227 D HA 0.089 4.727 4.640 -0.002 0.000 0.230 227 D C -0.664 175.499 176.300 -0.229 0.000 1.361 227 D CA -0.394 53.376 54.000 -0.384 0.000 0.992 227 D CB 0.320 40.965 40.800 -0.259 0.000 1.409 227 D HN 0.083 nan 8.370 nan 0.000 0.573 228 Y N 1.831 122.038 120.300 -0.155 0.000 2.421 228 Y HA -0.068 4.480 4.550 -0.002 0.000 0.292 228 Y C 2.081 177.666 175.900 -0.525 0.000 1.136 228 Y CA 0.712 58.625 58.100 -0.311 0.000 1.255 228 Y CB 0.081 38.482 38.460 -0.099 0.000 0.991 228 Y HN 0.396 nan 8.280 nan 0.000 0.552 229 M N -0.641 118.915 119.600 -0.074 0.000 2.561 229 M HA 0.302 4.781 4.480 -0.002 0.000 0.238 229 M C 0.333 176.644 176.300 0.018 0.000 1.131 229 M CA 0.018 55.294 55.300 -0.039 0.000 1.046 229 M CB -1.045 31.548 32.600 -0.013 0.000 1.532 229 M HN 0.062 nan 8.290 nan 0.000 0.497 230 A N 0.430 123.261 122.820 0.019 0.000 2.422 230 A HA 0.648 4.967 4.320 -0.002 0.000 0.302 230 A C -0.354 177.358 177.584 0.213 0.000 1.041 230 A CA -0.651 51.451 52.037 0.108 0.000 0.708 230 A CB 1.455 20.482 19.000 0.044 0.000 1.257 230 A HN -0.017 nan 8.150 nan 0.000 0.414 231 V N 2.778 122.847 119.914 0.258 0.000 2.655 231 V HA 0.024 4.143 4.120 -0.002 0.000 0.300 231 V C 0.794 176.953 176.094 0.108 0.000 1.044 231 V CA -0.109 62.345 62.300 0.257 0.000 1.095 231 V CB 0.990 32.946 31.823 0.222 0.000 0.952 231 V HN 0.941 nan 8.190 nan 0.000 0.485 232 D N 6.056 126.466 120.400 0.016 0.000 2.458 232 D HA 0.030 4.669 4.640 -0.002 0.000 0.243 232 D C -1.606 174.612 176.300 -0.136 0.000 1.146 232 D CA -1.162 52.738 54.000 -0.166 0.000 0.877 232 D CB 1.819 42.343 40.800 -0.461 0.000 1.176 232 D HN 0.261 nan 8.370 nan 0.000 0.461 233 P HA -0.153 nan 4.420 nan 0.000 0.217 233 P C 0.839 178.096 177.300 -0.072 0.000 1.148 233 P CA 1.468 64.522 63.100 -0.078 0.000 0.828 233 P CB 0.157 31.799 31.700 -0.097 0.000 0.783 234 A N -1.842 120.880 122.820 -0.164 0.000 2.015 234 A HA -0.102 4.216 4.320 -0.002 0.000 0.219 234 A C 1.877 179.547 177.584 0.144 0.000 1.163 234 A CA 1.136 53.115 52.037 -0.096 0.000 0.646 234 A CB -1.519 17.343 19.000 -0.229 0.000 0.806 234 A HN 0.212 nan 8.150 nan 0.000 0.448 235 F N -1.284 118.659 119.950 -0.012 0.000 2.754 235 F HA 0.362 4.888 4.527 -0.002 0.000 0.297 235 F C 1.571 177.364 175.800 -0.012 0.000 1.122 235 F CA 0.057 58.047 58.000 -0.017 0.000 1.400 235 F CB 0.403 39.374 39.000 -0.048 0.000 1.117 235 F HN 0.495 nan 8.300 nan 0.000 0.587 236 G N 0.843 109.742 108.800 0.165 0.000 2.250 236 G HA2 -0.003 3.956 3.960 -0.002 0.000 0.252 236 G HA3 -0.003 3.956 3.960 -0.002 0.000 0.252 236 G C -2.118 172.837 174.900 0.091 0.000 1.325 236 G CA -0.356 44.805 45.100 0.102 0.000 1.091 236 G HN 0.145 nan 8.290 nan 0.000 0.476 237 D N -1.314 119.142 120.400 0.093 0.000 2.714 237 D HA 0.524 5.163 4.640 -0.002 0.000 0.278 237 D C 0.743 177.134 176.300 0.152 0.000 1.102 237 D CA -0.708 53.355 54.000 0.105 0.000 1.108 237 D CB 0.165 41.010 40.800 0.076 0.000 1.444 237 D HN 0.213 nan 8.370 nan 0.000 0.568 238 N N -0.817 117.997 118.700 0.189 0.000 2.364 238 N HA -0.118 4.621 4.740 -0.002 0.000 0.183 238 N C 1.547 177.207 175.510 0.250 0.000 1.022 238 N CA 1.530 54.757 53.050 0.296 0.000 0.883 238 N CB -0.173 38.527 38.487 0.356 0.000 0.965 238 N HN 0.502 nan 8.380 nan 0.000 0.438 239 S N -1.370 114.413 115.700 0.138 0.000 2.414 239 S HA -0.028 4.441 4.470 -0.002 0.000 0.227 239 S C 1.847 176.488 174.600 0.069 0.000 1.022 239 S CA 1.031 59.277 58.200 0.076 0.000 0.958 239 S CB -0.632 62.594 63.200 0.043 0.000 0.797 239 S HN 0.176 nan 8.310 nan 0.000 0.493 240 T N 3.072 117.674 114.554 0.080 0.000 2.777 240 T HA 0.031 4.380 4.350 -0.002 0.000 0.266 240 T C 1.676 176.417 174.700 0.068 0.000 1.040 240 T CA 1.310 63.446 62.100 0.060 0.000 1.141 240 T CB -0.605 68.300 68.868 0.062 0.000 0.868 240 T HN 0.310 nan 8.240 nan 0.000 0.444 241 L N 1.278 122.575 121.223 0.123 0.000 2.046 241 L HA -0.080 4.258 4.340 -0.002 0.000 0.208 241 L C 2.434 179.383 176.870 0.131 0.000 1.077 241 L CA 1.741 56.666 54.840 0.141 0.000 0.747 241 L CB -0.824 41.387 42.059 0.253 0.000 0.896 241 L HN 0.229 nan 8.230 nan 0.000 0.432 242 Q N -1.269 118.616 119.800 0.142 0.000 2.124 242 Q HA -0.188 4.151 4.340 -0.002 0.000 0.202 242 Q C 1.982 177.974 176.000 -0.014 0.000 0.977 242 Q CA 2.198 58.023 55.803 0.037 0.000 0.850 242 Q CB -0.272 28.432 28.738 -0.057 0.000 0.901 242 Q HN 0.560 nan 8.270 nan 0.000 0.429 243 T N 1.339 115.890 114.554 -0.006 0.000 2.777 243 T HA -0.122 4.227 4.350 -0.002 0.000 0.266 243 T C 1.720 176.394 174.700 -0.044 0.000 1.040 243 T CA 0.909 62.994 62.100 -0.025 0.000 1.141 243 T CB -0.228 68.632 68.868 -0.014 0.000 0.868 243 T HN 0.139 nan 8.240 nan 0.000 0.444 244 L N 1.288 122.489 121.223 -0.036 0.000 2.046 244 L HA 0.020 4.359 4.340 -0.002 0.000 0.208 244 L C 2.108 178.906 176.870 -0.120 0.000 1.077 244 L CA 1.546 56.349 54.840 -0.061 0.000 0.747 244 L CB -0.743 41.287 42.059 -0.048 0.000 0.896 244 L HN 0.272 nan 8.230 nan 0.000 0.432 245 I N -0.048 120.437 120.570 -0.140 0.000 2.163 245 I HA -0.323 3.846 4.170 -0.002 0.000 0.243 245 I C 2.135 178.021 176.117 -0.385 0.000 1.085 245 I CA 1.354 62.469 61.300 -0.308 0.000 1.347 245 I CB -0.635 37.228 38.000 -0.230 0.000 1.044 245 I HN 0.395 nan 8.210 nan 0.000 0.408 246 N N 0.923 119.508 118.700 -0.191 0.000 2.104 246 N HA -0.188 4.550 4.740 -0.002 0.000 0.190 246 N C 1.403 176.856 175.510 -0.095 0.000 1.024 246 N CA 1.516 54.500 53.050 -0.111 0.000 0.853 246 N CB -0.513 37.938 38.487 -0.060 0.000 1.008 246 N HN 0.364 nan 8.380 nan 0.000 0.424 247 D N 0.654 120.995 120.400 -0.099 0.000 2.224 247 D HA 0.022 4.661 4.640 -0.002 0.000 0.205 247 D C 2.082 178.327 176.300 -0.092 0.000 0.965 247 D CA 0.285 54.239 54.000 -0.078 0.000 0.852 247 D CB -0.074 40.688 40.800 -0.063 0.000 0.947 247 D HN 0.313 nan 8.370 nan 0.000 0.494 248 I N 0.078 120.562 120.570 -0.143 0.000 2.286 248 I HA -0.203 3.966 4.170 -0.002 0.000 0.245 248 I C 2.002 178.054 176.117 -0.109 0.000 1.104 248 I CA 0.987 62.201 61.300 -0.144 0.000 1.397 248 I CB -0.220 37.660 38.000 -0.200 0.000 1.072 248 I HN 0.102 nan 8.210 nan 0.000 0.417 249 H N -0.608 118.350 119.070 -0.186 0.000 2.491 249 H HA -0.018 4.536 4.556 -0.002 0.000 0.290 249 H C 1.565 176.775 175.328 -0.197 0.000 1.050 249 H CA 0.015 55.917 56.048 -0.245 0.000 1.309 249 H CB 0.131 29.772 29.762 -0.202 0.000 1.392 249 H HN 0.175 nan 8.280 nan 0.000 0.554 250 S N 0.848 116.537 115.700 -0.018 0.000 2.558 250 S HA -0.060 4.409 4.470 -0.002 0.000 0.287 250 S C 1.408 175.970 174.600 -0.063 0.000 1.321 250 S CA 0.368 58.542 58.200 -0.043 0.000 1.048 250 S CB 0.551 63.725 63.200 -0.042 0.000 0.844 250 S HN 0.508 nan 8.310 nan 0.000 0.512 251 T N 1.334 115.853 114.554 -0.059 0.000 3.129 251 T HA 0.491 4.840 4.350 -0.002 0.000 0.267 251 T C 0.958 175.632 174.700 -0.043 0.000 1.018 251 T CA 0.106 62.171 62.100 -0.057 0.000 0.903 251 T CB 0.287 69.121 68.868 -0.058 0.000 1.067 251 T HN 0.596 nan 8.240 nan 0.000 0.549 252 A N 2.643 125.439 122.820 -0.040 0.000 2.169 252 A HA 0.240 4.559 4.320 -0.002 0.000 0.210 252 A C 1.676 179.240 177.584 -0.033 0.000 1.168 252 A CA 0.362 52.379 52.037 -0.034 0.000 0.813 252 A CB -0.467 18.514 19.000 -0.031 0.000 0.861 252 A HN 0.785 nan 8.150 nan 0.000 0.481 253 N N -1.609 117.069 118.700 -0.037 0.000 2.235 253 N HA 0.441 5.180 4.740 -0.002 0.000 0.231 253 N C 0.539 176.027 175.510 -0.037 0.000 1.177 253 N CA 0.278 53.307 53.050 -0.036 0.000 0.874 253 N CB 0.756 39.220 38.487 -0.038 0.000 1.097 253 N HN 0.398 nan 8.380 nan 0.000 0.518 254 G N 1.404 110.182 108.800 -0.037 0.000 2.302 254 G HA2 -0.015 3.944 3.960 -0.002 0.000 0.276 254 G HA3 -0.015 3.944 3.960 -0.002 0.000 0.276 254 G C -3.197 171.680 174.900 -0.038 0.000 1.316 254 G CA -0.958 44.121 45.100 -0.036 0.000 0.988 254 G HN 0.036 nan 8.290 nan 0.000 0.479 255 P HA 0.252 nan 4.420 nan 0.000 0.272 255 P C -0.370 176.895 177.300 -0.059 0.000 1.223 255 P CA -0.105 62.978 63.100 -0.029 0.000 0.784 255 P CB 0.863 32.561 31.700 -0.003 0.000 0.923 256 K N 1.017 121.367 120.400 -0.083 0.000 2.511 256 K HA 0.229 4.548 4.320 -0.002 0.000 0.280 256 K C 0.439 176.874 176.600 -0.274 0.000 1.008 256 K CA 0.186 56.358 56.287 -0.191 0.000 1.050 256 K CB -0.119 32.247 32.500 -0.223 0.000 0.889 256 K HN 0.671 nan 8.250 nan 0.000 0.484 257 G N 2.575 111.171 108.800 -0.340 0.000 2.509 257 G HA2 0.510 4.469 3.960 -0.002 0.000 0.328 257 G HA3 0.510 4.469 3.960 -0.002 0.000 0.328 257 G C -1.694 172.835 174.900 -0.619 0.000 1.194 257 G CA -0.610 44.303 45.100 -0.311 0.000 0.967 257 G HN 0.559 nan 8.290 nan 0.000 0.488 258 Y N -1.078 119.134 120.300 -0.146 0.000 2.477 258 Y HA 0.569 5.118 4.550 -0.002 0.000 0.347 258 Y C -0.458 175.362 175.900 -0.132 0.000 0.981 258 Y CA -0.913 57.022 58.100 -0.275 0.000 1.033 258 Y CB 2.672 40.655 38.460 -0.795 0.000 1.245 258 Y HN 0.496 nan 8.280 nan 0.000 0.455 259 L N 4.301 125.546 121.223 0.036 0.000 2.356 259 L HA 0.686 5.024 4.340 -0.002 0.000 0.277 259 L C -1.478 175.402 176.870 0.016 0.000 0.996 259 L CA -0.594 54.247 54.840 0.002 0.000 0.822 259 L CB 0.976 42.983 42.059 -0.087 0.000 1.256 259 L HN 0.564 nan 8.230 nan 0.000 0.413 260 I N 6.037 126.637 120.570 0.050 0.000 2.378 260 I HA 0.380 4.549 4.170 -0.002 0.000 0.291 260 I C -0.581 175.540 176.117 0.007 0.000 0.992 260 I CA -0.544 60.779 61.300 0.038 0.000 1.154 260 I CB 1.542 39.610 38.000 0.112 0.000 1.315 260 I HN 0.484 nan 8.210 nan 0.000 0.448 261 L N 4.567 125.678 121.223 -0.187 0.000 2.352 261 L HA 0.431 4.769 4.340 -0.002 0.000 0.269 261 L C -0.002 176.923 176.870 0.092 0.000 1.034 261 L CA -0.744 53.977 54.840 -0.198 0.000 0.806 261 L CB 1.195 42.922 42.059 -0.555 0.000 1.244 261 L HN 0.502 nan 8.230 nan 0.000 0.447 262 D N 1.314 121.774 120.400 0.099 0.000 2.316 262 D HA 0.226 4.865 4.640 -0.002 0.000 0.245 262 D C -0.123 176.297 176.300 0.199 0.000 1.171 262 D CA -0.020 54.085 54.000 0.175 0.000 0.856 262 D CB 1.605 42.424 40.800 0.030 0.000 1.090 262 D HN 0.632 nan 8.370 nan 0.000 0.476 263 G N 2.840 111.729 108.800 0.148 0.000 2.404 263 G HA2 0.378 4.337 3.960 -0.002 0.000 0.316 263 G HA3 0.378 4.337 3.960 -0.002 0.000 0.316 263 G C -0.083 174.229 174.900 -0.981 0.000 1.074 263 G CA -0.480 44.264 45.100 -0.593 0.000 0.989 263 G HN 0.360 nan 8.290 nan 0.000 0.430 264 V N 3.998 123.571 119.914 -0.569 0.000 2.258 264 V HA 0.220 4.338 4.120 -0.002 0.000 0.258 264 V C -0.050 176.003 176.094 -0.069 0.000 1.121 264 V CA -0.399 61.760 62.300 -0.234 0.000 0.942 264 V CB -0.295 31.547 31.823 0.032 0.000 1.170 264 V HN 0.668 nan 8.190 nan 0.000 0.487 265 F N 1.075 121.091 119.950 0.109 0.000 2.678 265 F HA 0.214 4.740 4.527 -0.002 0.000 0.305 265 F C 1.897 177.810 175.800 0.188 0.000 1.090 265 F CA -0.471 57.610 58.000 0.135 0.000 1.272 265 F CB -0.429 38.645 39.000 0.124 0.000 1.060 265 F HN 0.462 nan 8.300 nan 0.000 0.576 266 N N 0.243 119.069 118.700 0.211 0.000 2.300 266 N HA -0.099 4.640 4.740 -0.002 0.000 0.179 266 N C 0.031 175.753 175.510 0.354 0.000 1.016 266 N CA 0.841 54.080 53.050 0.316 0.000 0.876 266 N CB 0.184 38.918 38.487 0.411 0.000 0.979 266 N HN 0.360 nan 8.380 nan 0.000 0.432 267 H N -2.180 117.098 119.070 0.346 0.000 2.990 267 H HA 0.286 4.841 4.556 -0.002 0.000 0.336 267 H C -0.898 174.634 175.328 0.339 0.000 1.306 267 H CA -0.695 55.543 56.048 0.317 0.000 1.118 267 H CB 1.161 31.095 29.762 0.287 0.000 1.856 267 H HN -0.020 nan 8.280 nan 0.000 0.538 268 T N -1.596 113.226 114.554 0.446 0.000 2.905 268 T HA 0.622 4.970 4.350 -0.002 0.000 0.283 268 T C 0.633 175.502 174.700 0.282 0.000 1.031 268 T CA -0.389 61.908 62.100 0.329 0.000 1.002 268 T CB 1.579 70.603 68.868 0.259 0.000 1.200 268 T HN 0.840 nan 8.240 nan 0.000 0.560 269 G N 0.028 108.948 108.800 0.200 0.000 2.537 269 G HA2 0.390 4.348 3.960 -0.002 0.000 0.273 269 G HA3 0.390 4.348 3.960 -0.002 0.000 0.273 269 G C 0.491 175.482 174.900 0.152 0.000 1.189 269 G CA -0.360 44.848 45.100 0.179 0.000 0.881 269 G HN 0.844 nan 8.290 nan 0.000 0.535 270 D N -1.291 119.219 120.400 0.184 0.000 2.371 270 D HA -0.125 4.514 4.640 -0.002 0.000 0.221 270 D C 1.894 178.437 176.300 0.405 0.000 0.986 270 D CA 0.943 55.048 54.000 0.175 0.000 0.899 270 D CB -0.047 40.890 40.800 0.229 0.000 0.902 270 D HN 0.303 nan 8.370 nan 0.000 0.530 271 S N -1.535 114.418 115.700 0.422 0.000 2.557 271 S HA 0.041 4.510 4.470 -0.002 0.000 0.223 271 S C 0.419 175.232 174.600 0.354 0.000 0.969 271 S CA -0.717 57.756 58.200 0.455 0.000 0.927 271 S CB -0.819 62.632 63.200 0.419 0.000 0.806 271 S HN 0.404 nan 8.310 nan 0.000 0.489 272 H N 3.378 122.538 119.070 0.149 0.000 2.732 272 H HA 0.237 4.792 4.556 -0.002 0.000 0.351 272 H C -1.315 173.910 175.328 -0.172 0.000 1.090 272 H CA -1.164 54.834 56.048 -0.083 0.000 1.431 272 H CB 1.057 30.741 29.762 -0.130 0.000 1.447 272 H HN -0.019 nan 8.280 nan 0.000 0.582 273 P HA -0.230 nan 4.420 nan 0.000 0.218 273 P C 0.865 177.992 177.300 -0.289 0.000 1.146 273 P CA 1.283 63.913 63.100 -0.783 0.000 0.813 273 P CB 0.117 30.910 31.700 -1.512 0.000 0.778 274 W N -1.446 119.765 121.300 -0.149 0.000 2.425 274 W HA -0.022 4.637 4.660 -0.002 0.000 0.277 274 W C 2.186 178.905 176.519 0.333 0.000 1.231 274 W CA 0.308 57.512 57.345 -0.235 0.000 1.248 274 W CB -1.580 27.800 29.460 -0.133 0.000 1.117 274 W HN -0.019 nan 8.180 nan 0.000 0.568 275 F N 0.392 120.522 119.950 0.300 0.000 2.479 275 F HA 0.069 4.595 4.527 -0.002 0.000 0.280 275 F C 0.583 176.484 175.800 0.168 0.000 0.982 275 F CA 1.005 59.041 58.000 0.059 0.000 1.276 275 F CB -0.377 38.464 39.000 -0.264 0.000 1.137 275 F HN -0.329 nan 8.300 nan 0.000 0.660 276 D N 1.254 121.835 120.400 0.302 0.000 2.737 276 D HA -0.260 4.378 4.640 -0.002 0.000 0.238 276 D C 1.120 177.467 176.300 0.079 0.000 1.157 276 D CA 0.756 54.914 54.000 0.264 0.000 0.694 276 D CB -0.850 40.138 40.800 0.314 0.000 1.021 276 D HN 0.468 nan 8.370 nan 0.000 0.420 277 K N -0.476 119.850 120.400 -0.124 0.000 2.209 277 K HA -0.164 4.155 4.320 -0.002 0.000 0.204 277 K C 1.097 177.289 176.600 -0.679 0.000 1.048 277 K CA 1.132 56.956 56.287 -0.771 0.000 0.940 277 K CB -0.021 31.847 32.500 -1.053 0.000 0.729 277 K HN 0.486 nan 8.250 nan 0.000 0.451 278 Y N -0.045 120.259 120.300 0.007 0.000 2.555 278 Y HA 0.186 4.735 4.550 -0.002 0.000 0.259 278 Y C -0.014 175.919 175.900 0.054 0.000 1.179 278 Y CA -0.551 57.560 58.100 0.019 0.000 1.230 278 Y CB 0.060 38.526 38.460 0.010 0.000 1.146 278 Y HN 0.104 nan 8.280 nan 0.000 0.526 279 N N 1.704 120.516 118.700 0.186 0.000 2.671 279 N HA -0.241 4.498 4.740 -0.002 0.000 0.261 279 N C -0.161 175.417 175.510 0.114 0.000 1.053 279 N CA 0.567 53.721 53.050 0.174 0.000 0.732 279 N CB -1.146 37.423 38.487 0.135 0.000 0.887 279 N HN 0.351 nan 8.380 nan 0.000 0.546 280 N N -0.292 118.459 118.700 0.086 0.000 2.336 280 N HA 0.118 4.857 4.740 -0.002 0.000 0.189 280 N C -0.586 174.558 175.510 -0.610 0.000 1.113 280 N CA 0.647 53.537 53.050 -0.266 0.000 0.858 280 N CB 0.144 38.391 38.487 -0.400 0.000 0.970 280 N HN 0.355 nan 8.380 nan 0.000 0.471 281 F N -0.561 119.428 119.950 0.065 0.000 2.576 281 F HA 0.215 4.741 4.527 -0.002 0.000 0.313 281 F C 1.549 177.404 175.800 0.091 0.000 1.078 281 F CA -1.085 56.953 58.000 0.063 0.000 0.921 281 F CB 1.315 40.349 39.000 0.057 0.000 1.232 281 F HN -0.209 nan 8.300 nan 0.000 0.459 282 S N -0.628 115.225 115.700 0.255 0.000 2.419 282 S HA -0.081 4.388 4.470 -0.002 0.000 0.233 282 S C 0.775 175.504 174.600 0.214 0.000 1.016 282 S CA 0.579 58.889 58.200 0.184 0.000 0.974 282 S CB -0.842 62.441 63.200 0.138 0.000 0.786 282 S HN 0.613 nan 8.310 nan 0.000 0.492 283 S N 1.117 116.990 115.700 0.289 0.000 2.593 283 S HA 0.279 4.748 4.470 -0.002 0.000 0.269 283 S C -0.355 174.446 174.600 0.335 0.000 1.334 283 S CA -0.815 57.575 58.200 0.317 0.000 1.015 283 S CB 0.254 63.736 63.200 0.469 0.000 0.912 283 S HN 0.493 nan 8.310 nan 0.000 0.541 284 Q N 0.858 120.838 119.800 0.300 0.000 2.331 284 Q HA 0.469 4.808 4.340 -0.002 0.000 0.257 284 Q C 0.511 176.763 176.000 0.419 0.000 0.957 284 Q CA -0.476 55.491 55.803 0.273 0.000 0.923 284 Q CB 1.409 30.232 28.738 0.141 0.000 1.212 284 Q HN 0.877 nan 8.270 nan 0.000 0.443 285 G N 0.801 109.849 108.800 0.412 0.000 2.562 285 G HA2 0.332 4.291 3.960 -0.002 0.000 0.275 285 G HA3 0.332 4.291 3.960 -0.002 0.000 0.275 285 G C 0.795 175.924 174.900 0.382 0.000 1.196 285 G CA 0.002 45.385 45.100 0.473 0.000 0.908 285 G HN 0.708 nan 8.290 nan 0.000 0.524 286 A N -0.298 122.782 122.820 0.432 0.000 1.948 286 A HA -0.168 4.151 4.320 -0.002 0.000 0.220 286 A C 2.022 179.821 177.584 0.359 0.000 1.177 286 A CA 2.012 54.348 52.037 0.497 0.000 0.636 286 A CB -0.761 18.642 19.000 0.673 0.000 0.815 286 A HN 0.815 nan 8.150 nan 0.000 0.449 287 Y N 0.618 120.761 120.300 -0.263 0.000 2.352 287 Y HA -0.119 4.430 4.550 -0.002 0.000 0.292 287 Y C 2.128 177.966 175.900 -0.104 0.000 1.136 287 Y CA 2.003 59.843 58.100 -0.433 0.000 1.227 287 Y CB -0.027 37.845 38.460 -0.980 0.000 0.991 287 Y HN 0.497 nan 8.280 nan 0.000 0.545 288 E N -0.896 119.392 120.200 0.146 0.000 2.170 288 E HA 0.026 4.375 4.350 -0.002 0.000 0.191 288 E C 0.331 177.112 176.600 0.302 0.000 0.981 288 E CA 0.749 57.249 56.400 0.168 0.000 0.830 288 E CB 0.272 30.085 29.700 0.189 0.000 0.775 288 E HN 0.121 nan 8.360 nan 0.000 0.470 289 S N -0.627 115.248 115.700 0.291 0.000 2.533 289 S HA 0.112 4.581 4.470 -0.002 0.000 0.271 289 S C -0.313 174.086 174.600 -0.335 0.000 1.143 289 S CA -0.674 57.548 58.200 0.038 0.000 0.891 289 S CB 1.537 64.725 63.200 -0.020 0.000 1.105 289 S HN 0.009 nan 8.310 nan 0.000 0.468 290 Q N 1.927 121.145 119.800 -0.970 0.000 2.482 290 Q HA 0.131 4.470 4.340 -0.002 0.000 0.209 290 Q C 0.675 176.093 176.000 -0.971 0.000 0.961 290 Q CA 0.380 55.223 55.803 -1.600 0.000 0.945 290 Q CB 0.139 27.819 28.738 -1.764 0.000 1.012 290 Q HN 0.535 nan 8.270 nan 0.000 0.515 291 S N 0.109 115.502 115.700 -0.512 0.000 2.539 291 S HA 0.043 4.512 4.470 -0.002 0.000 0.221 291 S C 0.462 174.941 174.600 -0.202 0.000 0.987 291 S CA -0.277 57.736 58.200 -0.312 0.000 0.929 291 S CB 0.562 63.618 63.200 -0.239 0.000 0.832 291 S HN 0.242 nan 8.310 nan 0.000 0.492 292 S N 3.418 119.039 115.700 -0.132 0.000 2.558 292 S HA 0.080 4.548 4.470 -0.002 0.000 0.288 292 S C -1.210 173.282 174.600 -0.181 0.000 1.318 292 S CA -1.024 57.138 58.200 -0.063 0.000 1.056 292 S CB 0.729 64.037 63.200 0.179 0.000 0.853 292 S HN 0.166 nan 8.310 nan 0.000 0.505 293 P HA -0.016 nan 4.420 nan 0.000 0.228 293 P C 0.313 177.192 177.300 -0.700 0.000 1.151 293 P CA 1.058 63.750 63.100 -0.680 0.000 0.770 293 P CB 0.029 31.110 31.700 -1.032 0.000 0.786 294 W N -2.336 118.859 121.300 -0.175 0.000 2.966 294 W HA 0.211 4.870 4.660 -0.002 0.000 0.406 294 W C 1.432 177.937 176.519 -0.024 0.000 1.027 294 W CA -0.763 56.279 57.345 -0.504 0.000 1.930 294 W CB -1.083 27.982 29.460 -0.658 0.000 1.144 294 W HN -0.050 nan 8.180 nan 0.000 0.626 295 Y N 2.905 123.298 120.300 0.155 0.000 2.151 295 Y HA -0.254 4.295 4.550 -0.002 0.000 0.284 295 Y C 1.814 177.929 175.900 0.358 0.000 1.166 295 Y CA 1.979 60.239 58.100 0.266 0.000 1.163 295 Y CB -0.427 38.070 38.460 0.062 0.000 0.974 295 Y HN -0.181 nan 8.280 nan 0.000 0.511 296 N N -0.822 118.019 118.700 0.235 0.000 2.521 296 N HA -0.135 4.604 4.740 -0.002 0.000 0.188 296 N C 1.048 176.645 175.510 0.144 0.000 1.146 296 N CA 0.729 53.864 53.050 0.142 0.000 0.893 296 N CB -0.453 38.120 38.487 0.143 0.000 0.975 296 N HN 0.573 nan 8.380 nan 0.000 0.451 297 Y N -0.734 119.500 120.300 -0.110 0.000 2.561 297 Y HA -0.032 4.517 4.550 -0.002 0.000 0.291 297 Y C 0.203 175.717 175.900 -0.643 0.000 1.141 297 Y CA 0.189 58.030 58.100 -0.432 0.000 1.303 297 Y CB 0.234 38.342 38.460 -0.588 0.000 1.015 297 Y HN -0.016 nan 8.280 nan 0.000 0.547 298 Y N -1.516 118.831 120.300 0.078 0.000 2.662 298 Y HA 0.422 4.971 4.550 -0.002 0.000 0.335 298 Y C -0.073 175.693 175.900 -0.223 0.000 1.066 298 Y CA -1.521 56.530 58.100 -0.082 0.000 1.116 298 Y CB 1.426 39.825 38.460 -0.102 0.000 1.308 298 Y HN -0.457 nan 8.280 nan 0.000 0.502 299 T N 2.187 116.644 114.554 -0.161 0.000 2.815 299 T HA 0.504 4.853 4.350 -0.002 0.000 0.289 299 T C -1.284 173.148 174.700 -0.447 0.000 1.000 299 T CA -0.560 61.404 62.100 -0.227 0.000 0.958 299 T CB -0.186 68.580 68.868 -0.170 0.000 0.944 299 T HN 0.223 nan 8.240 nan 0.000 0.442 300 F N 1.975 121.890 119.950 -0.059 0.000 2.421 300 F HA 0.437 4.963 4.527 -0.002 0.000 0.337 300 F C 0.572 176.345 175.800 -0.045 0.000 1.105 300 F CA -0.848 57.177 58.000 0.043 0.000 1.049 300 F CB 1.069 40.250 39.000 0.302 0.000 1.139 300 F HN 0.571 nan 8.300 nan 0.000 0.479 301 Y N 0.092 120.631 120.300 0.398 0.000 2.343 301 Y HA 0.126 4.675 4.550 -0.002 0.000 0.294 301 Y C 0.969 177.034 175.900 0.275 0.000 1.122 301 Y CA 0.277 58.534 58.100 0.262 0.000 1.173 301 Y CB 0.022 38.585 38.460 0.171 0.000 1.077 301 Y HN 0.309 nan 8.280 nan 0.000 0.542 302 T N 0.122 114.951 114.554 0.458 0.000 3.089 302 T HA 0.089 4.437 4.350 -0.002 0.000 0.340 302 T C -1.372 173.556 174.700 0.379 0.000 1.008 302 T CA -0.582 61.727 62.100 0.348 0.000 1.096 302 T CB 0.047 69.060 68.868 0.242 0.000 1.024 302 T HN 0.187 nan 8.240 nan 0.000 0.477 303 W N 6.795 128.200 121.300 0.175 0.000 2.223 303 W HA 0.317 4.976 4.660 -0.002 0.000 0.334 303 W C -1.485 174.987 176.519 -0.078 0.000 1.334 303 W CA -1.050 56.269 57.345 -0.043 0.000 1.246 303 W CB 0.921 30.228 29.460 -0.255 0.000 1.184 303 W HN 0.389 nan 8.180 nan 0.000 0.563 304 P HA 0.057 nan 4.420 nan 0.000 0.268 304 P C 0.431 177.722 177.300 -0.015 0.000 1.248 304 P CA 0.616 62.995 63.100 -1.200 0.000 0.851 304 P CB 0.772 31.059 31.700 -2.355 0.000 1.238 305 D N 0.084 120.532 120.400 0.080 0.000 2.323 305 D HA -0.003 4.636 4.640 -0.002 0.000 0.209 305 D C 0.437 176.908 176.300 0.285 0.000 0.973 305 D CA 0.864 55.064 54.000 0.332 0.000 0.874 305 D CB 0.327 41.220 40.800 0.155 0.000 0.930 305 D HN 0.119 nan 8.370 nan 0.000 0.521 306 S N 0.170 116.068 115.700 0.330 0.000 2.498 306 S HA 0.426 4.895 4.470 -0.002 0.000 0.324 306 S C -1.078 173.756 174.600 0.389 0.000 1.071 306 S CA -0.779 57.559 58.200 0.229 0.000 1.113 306 S CB -0.164 63.197 63.200 0.268 0.000 0.976 306 S HN 0.129 nan 8.310 nan 0.000 0.462 307 Y N 1.475 121.940 120.300 0.276 0.000 2.615 307 Y HA 0.824 5.373 4.550 -0.002 0.000 0.341 307 Y C -0.246 175.661 175.900 0.011 0.000 1.089 307 Y CA -1.622 56.453 58.100 -0.041 0.000 1.049 307 Y CB 0.479 38.822 38.460 -0.195 0.000 1.296 307 Y HN 0.556 nan 8.280 nan 0.000 0.470 308 A N 1.673 124.497 122.820 0.006 0.000 2.462 308 A HA 0.604 4.922 4.320 -0.002 0.000 0.243 308 A C 0.179 177.911 177.584 0.245 0.000 1.076 308 A CA 0.605 52.746 52.037 0.173 0.000 0.773 308 A CB -0.548 18.504 19.000 0.086 0.000 1.010 308 A HN 1.346 nan 8.150 nan 0.000 0.493 309 S N 1.158 116.972 115.700 0.189 0.000 2.688 309 S HA 0.638 5.107 4.470 -0.002 0.000 0.275 309 S C -0.678 173.989 174.600 0.110 0.000 1.175 309 S CA -0.654 57.659 58.200 0.188 0.000 0.818 309 S CB 0.619 63.915 63.200 0.159 0.000 1.157 309 S HN 1.143 nan 8.310 nan 0.000 0.482 310 F N 2.760 122.684 119.950 -0.043 0.000 2.438 310 F HA 0.485 5.011 4.527 -0.002 0.000 0.360 310 F C 0.867 176.606 175.800 -0.102 0.000 1.118 310 F CA -0.503 57.404 58.000 -0.156 0.000 1.164 310 F CB -0.346 38.395 39.000 -0.431 0.000 1.131 310 F HN 0.646 nan 8.300 nan 0.000 0.527 311 L N 6.464 127.118 121.223 -0.949 0.000 3.839 311 L HA -0.324 4.015 4.340 -0.002 0.000 0.416 311 L C 1.236 177.678 176.870 -0.714 0.000 1.195 311 L CA 0.748 55.066 54.840 -0.869 0.000 0.946 311 L CB -2.051 39.373 42.059 -1.058 0.000 1.891 311 L HN 1.165 nan 8.230 nan 0.000 0.963 312 G N -1.848 106.687 108.800 -0.443 0.000 2.184 312 G HA2 -0.344 3.614 3.960 -0.002 0.000 0.264 312 G HA3 -0.344 3.614 3.960 -0.002 0.000 0.264 312 G C 0.030 174.727 174.900 -0.338 0.000 0.975 312 G CA 0.278 45.153 45.100 -0.376 0.000 0.642 312 G HN 0.294 nan 8.290 nan 0.000 0.536 313 F N 1.756 121.667 119.950 -0.066 0.000 2.462 313 F HA 0.326 4.851 4.527 -0.002 0.000 0.360 313 F C 1.499 177.338 175.800 0.065 0.000 1.134 313 F CA -0.300 57.710 58.000 0.017 0.000 1.148 313 F CB 0.240 39.278 39.000 0.063 0.000 1.147 313 F HN 0.094 nan 8.300 nan 0.000 0.550 314 N N 0.815 119.648 118.700 0.222 0.000 2.430 314 N HA -0.183 4.556 4.740 -0.002 0.000 0.186 314 N C 1.757 177.482 175.510 0.359 0.000 1.032 314 N CA 0.999 54.185 53.050 0.227 0.000 0.893 314 N CB 0.056 38.635 38.487 0.154 0.000 0.957 314 N HN 0.551 nan 8.380 nan 0.000 0.442 315 S N 0.115 116.020 115.700 0.341 0.000 2.561 315 S HA 0.038 4.507 4.470 -0.002 0.000 0.225 315 S C 0.720 175.472 174.600 0.253 0.000 0.977 315 S CA 0.368 58.771 58.200 0.337 0.000 0.926 315 S CB -0.015 63.404 63.200 0.365 0.000 0.769 315 S HN 0.188 nan 8.310 nan 0.000 0.533 316 L N 2.725 124.089 121.223 0.236 0.000 2.637 316 L HA 0.419 4.758 4.340 -0.002 0.000 0.241 316 L C -2.760 174.218 176.870 0.179 0.000 1.398 316 L CA -2.124 52.820 54.840 0.174 0.000 0.895 316 L CB 1.153 43.224 42.059 0.021 0.000 1.183 316 L HN -0.028 nan 8.230 nan 0.000 0.497 317 P HA -0.041 nan 4.420 nan 0.000 0.264 317 P C -0.530 176.936 177.300 0.277 0.000 1.193 317 P CA 0.026 63.102 63.100 -0.039 0.000 0.763 317 P CB 0.999 32.035 31.700 -1.107 0.000 0.810 318 K N 3.934 124.523 120.400 0.315 0.000 2.322 318 K HA 0.221 4.540 4.320 -0.002 0.000 0.283 318 K C 0.011 176.753 176.600 0.237 0.000 1.042 318 K CA -0.533 55.954 56.287 0.334 0.000 0.958 318 K CB 0.156 32.824 32.500 0.280 0.000 0.984 318 K HN 0.467 nan 8.250 nan 0.000 0.473 319 L N 3.710 125.032 121.223 0.166 0.000 2.380 319 L HA 0.082 4.421 4.340 -0.002 0.000 0.273 319 L C 0.327 177.150 176.870 -0.078 0.000 1.138 319 L CA -0.467 54.299 54.840 -0.123 0.000 0.832 319 L CB 0.562 42.517 42.059 -0.174 0.000 1.124 319 L HN 0.647 nan 8.230 nan 0.000 0.454 320 N N 2.056 120.614 118.700 -0.236 0.000 2.437 320 N HA 0.073 4.812 4.740 -0.002 0.000 0.243 320 N C 0.154 175.516 175.510 -0.247 0.000 1.041 320 N CA 0.007 52.981 53.050 -0.127 0.000 0.940 320 N CB 0.413 38.834 38.487 -0.111 0.000 1.133 320 N HN 0.346 nan 8.380 nan 0.000 0.506 321 Y N 2.963 123.175 120.300 -0.147 0.000 2.583 321 Y HA 0.116 4.665 4.550 -0.002 0.000 0.293 321 Y C 1.988 177.799 175.900 -0.149 0.000 1.157 321 Y CA 0.754 58.750 58.100 -0.173 0.000 1.315 321 Y CB -0.241 38.141 38.460 -0.129 0.000 1.021 321 Y HN 0.792 nan 8.280 nan 0.000 0.536 322 G N 0.950 109.743 108.800 -0.010 0.000 2.582 322 G HA2 -0.357 3.602 3.960 -0.002 0.000 0.300 322 G HA3 -0.357 3.602 3.960 -0.002 0.000 0.300 322 G C -0.111 174.794 174.900 0.009 0.000 1.300 322 G CA 0.327 45.415 45.100 -0.020 0.000 0.959 322 G HN 0.466 nan 8.290 nan 0.000 0.548 323 N N -0.428 118.267 118.700 -0.008 0.000 2.502 323 N HA 0.498 5.236 4.740 -0.002 0.000 0.280 323 N C -0.057 175.452 175.510 -0.001 0.000 1.223 323 N CA -0.431 52.621 53.050 0.005 0.000 0.966 323 N CB 0.956 39.444 38.487 0.002 0.000 1.203 323 N HN 0.551 nan 8.380 nan 0.000 0.565 324 S N -0.297 115.411 115.700 0.013 0.000 2.558 324 S HA 0.182 4.651 4.470 -0.002 0.000 0.293 324 S C 1.264 175.854 174.600 -0.016 0.000 1.292 324 S CA 0.784 58.994 58.200 0.017 0.000 1.063 324 S CB 0.316 63.534 63.200 0.030 0.000 0.831 324 S HN 0.916 nan 8.310 nan 0.000 0.499 325 G N 2.065 110.841 108.800 -0.040 0.000 2.176 325 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.253 325 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.253 325 G C 0.267 175.104 174.900 -0.104 0.000 0.979 325 G CA 0.185 45.245 45.100 -0.066 0.000 0.641 325 G HN 1.243 nan 8.290 nan 0.000 0.530 326 S N -0.001 115.622 115.700 -0.128 0.000 2.576 326 S HA 0.641 5.110 4.470 -0.002 0.000 0.272 326 S C 1.828 176.275 174.600 -0.255 0.000 1.352 326 S CA 0.569 58.664 58.200 -0.174 0.000 1.021 326 S CB 1.605 64.689 63.200 -0.194 0.000 0.887 326 S HN 1.737 nan 8.310 nan 0.000 0.542 327 A N 1.767 124.426 122.820 -0.268 0.000 1.933 327 A HA 0.015 4.334 4.320 -0.002 0.000 0.218 327 A C 2.162 179.409 177.584 -0.561 0.000 1.175 327 A CA 1.523 53.377 52.037 -0.305 0.000 0.628 327 A CB -1.205 17.697 19.000 -0.163 0.000 0.814 327 A HN 0.800 nan 8.150 nan 0.000 0.444 328 V N 0.030 119.461 119.914 -0.806 0.000 2.343 328 V HA -0.258 3.860 4.120 -0.002 0.000 0.247 328 V C 2.615 178.236 176.094 -0.789 0.000 1.051 328 V CA 2.211 63.886 62.300 -1.042 0.000 1.036 328 V CB -0.769 30.355 31.823 -1.166 0.000 0.654 328 V HN 0.539 nan 8.190 nan 0.000 0.451 329 R N 0.036 120.166 120.500 -0.616 0.000 2.120 329 R HA -0.093 4.246 4.340 -0.002 0.000 0.234 329 R C 2.410 178.222 176.300 -0.815 0.000 1.123 329 R CA 1.312 57.000 56.100 -0.687 0.000 0.975 329 R CB -0.708 29.318 30.300 -0.457 0.000 0.866 329 R HN 0.603 nan 8.270 nan 0.000 0.446 330 G N 0.820 109.306 108.800 -0.523 0.000 2.414 330 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.215 330 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.215 330 G C 1.486 176.194 174.900 -0.320 0.000 1.188 330 G CA 1.035 45.910 45.100 -0.374 0.000 0.783 330 G HN 0.302 nan 8.290 nan 0.000 0.537 331 V N -1.154 118.567 119.914 -0.321 0.000 2.809 331 V HA 0.041 4.160 4.120 -0.002 0.000 0.256 331 V C 2.397 178.350 176.094 -0.235 0.000 1.080 331 V CA 0.842 63.026 62.300 -0.193 0.000 1.102 331 V CB -0.369 31.390 31.823 -0.106 0.000 0.705 331 V HN 0.212 nan 8.190 nan 0.000 0.475 332 I N 0.472 120.815 120.570 -0.379 0.000 2.429 332 I HA 0.064 4.233 4.170 -0.002 0.000 0.247 332 I C 2.335 178.286 176.117 -0.278 0.000 1.099 332 I CA 2.230 63.281 61.300 -0.415 0.000 1.422 332 I CB -0.670 37.118 38.000 -0.354 0.000 1.112 332 I HN 0.677 nan 8.210 nan 0.000 0.430 333 Y N -2.363 117.816 120.300 -0.201 0.000 2.450 333 Y HA 0.377 4.925 4.550 -0.002 0.000 0.279 333 Y C 1.682 177.523 175.900 -0.098 0.000 1.106 333 Y CA -0.380 57.633 58.100 -0.145 0.000 1.143 333 Y CB -0.810 37.620 38.460 -0.051 0.000 1.328 333 Y HN -0.166 nan 8.280 nan 0.000 0.553 334 N N 1.361 119.870 118.700 -0.318 0.000 2.171 334 N HA -0.054 4.685 4.740 -0.002 0.000 0.184 334 N C -0.310 175.156 175.510 -0.073 0.000 1.021 334 N CA 0.907 53.880 53.050 -0.128 0.000 0.854 334 N CB -0.418 37.936 38.487 -0.221 0.000 0.994 334 N HN 0.335 nan 8.380 nan 0.000 0.426 335 N N 0.301 118.937 118.700 -0.107 0.000 2.479 335 N HA -0.041 4.698 4.740 -0.002 0.000 0.257 335 N C 1.089 176.589 175.510 -0.017 0.000 1.232 335 N CA 0.120 53.137 53.050 -0.055 0.000 0.920 335 N CB 0.910 39.363 38.487 -0.057 0.000 1.105 335 N HN -0.014 nan 8.380 nan 0.000 0.444 336 S N 1.035 116.736 115.700 0.002 0.000 2.399 336 S HA -0.150 4.319 4.470 -0.002 0.000 0.231 336 S C 1.029 175.641 174.600 0.020 0.000 1.022 336 S CA 1.140 59.352 58.200 0.020 0.000 0.983 336 S CB -0.236 62.977 63.200 0.022 0.000 0.803 336 S HN 0.708 nan 8.310 nan 0.000 0.480 337 N N 1.365 120.071 118.700 0.010 0.000 2.276 337 N HA 0.081 4.820 4.740 -0.002 0.000 0.212 337 N C 0.214 175.724 175.510 -0.000 0.000 1.127 337 N CA 0.323 53.378 53.050 0.008 0.000 0.834 337 N CB -0.435 38.063 38.487 0.020 0.000 1.014 337 N HN 0.402 nan 8.380 nan 0.000 0.491 338 S N -1.102 114.592 115.700 -0.010 0.000 2.617 338 S HA 0.193 4.662 4.470 -0.002 0.000 0.259 338 S C 1.474 176.070 174.600 -0.008 0.000 1.301 338 S CA -0.531 57.647 58.200 -0.036 0.000 0.984 338 S CB 0.795 63.948 63.200 -0.078 0.000 0.954 338 S HN -0.102 nan 8.310 nan 0.000 0.572 339 V N 1.576 121.461 119.914 -0.048 0.000 2.261 339 V HA -0.148 3.971 4.120 -0.002 0.000 0.246 339 V C 3.026 179.284 176.094 0.274 0.000 1.047 339 V CA 2.302 64.646 62.300 0.074 0.000 1.015 339 V CB -1.927 29.830 31.823 -0.109 0.000 0.642 339 V HN 1.012 nan 8.190 nan 0.000 0.446 340 A N -0.170 122.660 122.820 0.017 0.000 1.877 340 A HA -0.241 4.078 4.320 -0.002 0.000 0.216 340 A C 2.311 180.163 177.584 0.447 0.000 1.186 340 A CA 2.106 54.246 52.037 0.172 0.000 0.620 340 A CB -0.423 18.506 19.000 -0.119 0.000 0.822 340 A HN 0.558 nan 8.150 nan 0.000 0.443 341 K N -1.194 119.336 120.400 0.217 0.000 2.167 341 K HA -0.025 4.294 4.320 -0.002 0.000 0.203 341 K C 2.068 178.774 176.600 0.176 0.000 1.052 341 K CA 1.314 57.715 56.287 0.191 0.000 0.956 341 K CB -0.293 32.265 32.500 0.098 0.000 0.735 341 K HN 0.431 nan 8.250 nan 0.000 0.451 342 T N 0.701 115.312 114.554 0.095 0.000 2.684 342 T HA -0.173 4.176 4.350 -0.002 0.000 0.267 342 T C 1.507 176.148 174.700 -0.098 0.000 1.036 342 T CA 1.511 63.567 62.100 -0.073 0.000 1.148 342 T CB -0.313 68.363 68.868 -0.319 0.000 0.863 342 T HN 0.253 nan 8.240 nan 0.000 0.436 343 Y N 0.389 120.827 120.300 0.229 0.000 2.516 343 Y HA 0.249 4.798 4.550 -0.002 0.000 0.291 343 Y C 2.016 178.055 175.900 0.232 0.000 1.131 343 Y CA 0.225 58.425 58.100 0.166 0.000 1.281 343 Y CB -0.219 38.333 38.460 0.153 0.000 1.013 343 Y HN 0.144 nan 8.280 nan 0.000 0.554 344 L N -0.628 120.819 121.223 0.373 0.000 2.375 344 L HA 0.010 4.349 4.340 -0.002 0.000 0.215 344 L C 0.296 177.299 176.870 0.221 0.000 1.108 344 L CA 0.420 55.431 54.840 0.285 0.000 0.830 344 L CB -0.230 42.014 42.059 0.307 0.000 0.959 344 L HN 0.156 nan 8.230 nan 0.000 0.457 345 N N -0.558 118.268 118.700 0.209 0.000 2.476 345 N HA 0.247 4.986 4.740 -0.002 0.000 0.275 345 N C -2.459 173.149 175.510 0.163 0.000 1.190 345 N CA -1.572 51.572 53.050 0.156 0.000 0.977 345 N CB 1.019 39.578 38.487 0.121 0.000 1.200 345 N HN -0.221 nan 8.380 nan 0.000 0.515 346 P HA 0.045 nan 4.420 nan 0.000 0.270 346 P C -2.065 175.242 177.300 0.011 0.000 1.223 346 P CA -0.698 62.429 63.100 0.046 0.000 0.785 346 P CB 0.306 32.017 31.700 0.019 0.000 0.923 347 P HA 0.052 nan 4.420 nan 0.000 0.256 347 P C -0.010 177.098 177.300 -0.319 0.000 1.384 347 P CA 0.703 63.658 63.100 -0.242 0.000 0.879 347 P CB 0.052 31.561 31.700 -0.317 0.000 1.403 348 Y N 0.228 120.571 120.300 0.071 0.000 2.284 348 Y HA 0.079 4.628 4.550 -0.001 0.000 0.293 348 Y C 1.581 177.551 175.900 0.118 0.000 1.140 348 Y CA 0.499 58.665 58.100 0.109 0.000 1.153 348 Y CB -0.639 37.937 38.460 0.193 0.000 1.114 348 Y HN -0.216 nan 8.280 nan 0.000 0.521 349 S N 0.411 116.293 115.700 0.304 0.000 3.631 349 S HA -0.131 4.338 4.470 -0.002 0.000 0.366 349 S C 0.037 174.792 174.600 0.259 0.000 0.993 349 S CA 0.072 58.416 58.200 0.239 0.000 1.167 349 S CB -2.393 60.921 63.200 0.190 0.000 0.909 349 S HN 0.392 nan 8.310 nan 0.000 0.478 350 V N -0.970 119.071 119.914 0.211 0.000 3.376 350 V HA 0.296 4.415 4.120 -0.002 0.000 0.303 350 V C 1.124 177.283 176.094 0.108 0.000 1.100 350 V CA 0.099 62.463 62.300 0.107 0.000 1.126 350 V CB 0.743 32.535 31.823 -0.052 0.000 1.085 350 V HN 0.405 nan 8.190 nan 0.000 0.480 351 D N 1.046 121.500 120.400 0.090 0.000 2.369 351 D HA 0.395 5.034 4.640 -0.002 0.000 0.211 351 D C 0.622 177.080 176.300 0.263 0.000 1.077 351 D CA 1.172 55.264 54.000 0.153 0.000 0.842 351 D CB 1.098 41.912 40.800 0.024 0.000 0.947 351 D HN 1.024 nan 8.370 nan 0.000 0.509 352 G N 0.298 109.149 108.800 0.084 0.000 2.328 352 G HA2 0.323 4.282 3.960 -0.002 0.000 0.295 352 G HA3 0.323 4.282 3.960 -0.002 0.000 0.295 352 G C -2.314 172.536 174.900 -0.083 0.000 1.413 352 G CA -1.054 44.119 45.100 0.123 0.000 0.817 352 G HN 0.036 nan 8.290 nan 0.000 0.546 353 W N 0.405 121.820 121.300 0.192 0.000 2.839 353 W HA 0.703 5.361 4.660 -0.002 0.000 0.334 353 W C 0.175 176.670 176.519 -0.040 0.000 1.064 353 W CA -0.935 56.505 57.345 0.159 0.000 1.236 353 W CB 2.139 31.825 29.460 0.377 0.000 1.405 353 W HN 0.451 nan 8.180 nan 0.000 0.478 354 R N 4.320 124.900 120.500 0.134 0.000 2.255 354 R HA 0.414 4.753 4.340 -0.002 0.000 0.326 354 R C -1.138 175.076 176.300 -0.143 0.000 0.986 354 R CA -0.461 55.536 56.100 -0.172 0.000 0.847 354 R CB 0.545 30.597 30.300 -0.414 0.000 1.111 354 R HN 0.753 nan 8.270 nan 0.000 0.452 355 L N 4.499 125.496 121.223 -0.377 0.000 2.312 355 L HA 0.194 4.533 4.340 -0.002 0.000 0.287 355 L C 0.341 177.029 176.870 -0.303 0.000 1.091 355 L CA -0.611 53.955 54.840 -0.456 0.000 0.846 355 L CB 0.549 42.037 42.059 -0.952 0.000 1.219 355 L HN 0.531 nan 8.230 nan 0.000 0.439 356 D N 3.622 123.940 120.400 -0.138 0.000 2.425 356 D HA 0.271 4.910 4.640 -0.002 0.000 0.247 356 D C 1.013 177.345 176.300 0.054 0.000 1.147 356 D CA 0.647 54.653 54.000 0.010 0.000 0.879 356 D CB 0.945 41.816 40.800 0.117 0.000 1.179 356 D HN 0.724 nan 8.370 nan 0.000 0.456 357 A N 3.055 125.959 122.820 0.141 0.000 2.748 357 A HA -0.214 4.105 4.320 -0.002 0.000 0.297 357 A C 1.842 179.641 177.584 0.358 0.000 1.508 357 A CA 1.416 53.668 52.037 0.360 0.000 0.799 357 A CB -2.092 17.157 19.000 0.415 0.000 1.011 357 A HN 0.908 nan 8.150 nan 0.000 0.500 358 A N -0.264 122.647 122.820 0.152 0.000 1.948 358 A HA -0.225 4.094 4.320 -0.002 0.000 0.220 358 A C 2.057 179.874 177.584 0.388 0.000 1.177 358 A CA 2.093 54.272 52.037 0.236 0.000 0.636 358 A CB -0.521 18.239 19.000 -0.400 0.000 0.815 358 A HN 1.390 nan 8.150 nan 0.000 0.449 359 Q N -1.884 117.964 119.800 0.080 0.000 2.291 359 Q HA -0.181 4.158 4.340 -0.002 0.000 0.206 359 Q C 1.513 177.552 176.000 0.064 0.000 0.976 359 Q CA 1.770 57.582 55.803 0.015 0.000 0.875 359 Q CB -0.510 28.164 28.738 -0.107 0.000 0.927 359 Q HN 0.781 nan 8.270 nan 0.000 0.450 360 Y N 0.662 121.174 120.300 0.353 0.000 2.490 360 Y HA 0.161 4.710 4.550 -0.002 0.000 0.285 360 Y C 0.933 176.973 175.900 0.233 0.000 1.117 360 Y CA -0.544 57.739 58.100 0.305 0.000 1.262 360 Y CB 0.612 39.294 38.460 0.370 0.000 1.043 360 Y HN -0.138 nan 8.280 nan 0.000 0.553 361 V N 2.741 122.843 119.914 0.314 0.000 2.625 361 V HA -0.105 4.014 4.120 -0.002 0.000 0.305 361 V C -0.024 176.022 176.094 -0.080 0.000 1.055 361 V CA 0.866 63.176 62.300 0.016 0.000 1.209 361 V CB -0.010 31.603 31.823 -0.350 0.000 0.877 361 V HN 0.307 nan 8.190 nan 0.000 0.489 362 D N 2.186 122.582 120.400 -0.007 0.000 2.738 362 D HA 0.679 5.318 4.640 -0.002 0.000 0.308 362 D C -0.707 175.678 176.300 0.142 0.000 1.311 362 D CA 0.117 54.139 54.000 0.036 0.000 0.799 362 D CB 2.085 42.951 40.800 0.110 0.000 1.332 362 D HN 0.650 nan 8.370 nan 0.000 0.441 363 A N 0.041 122.926 122.820 0.108 0.000 2.299 363 A HA 0.666 4.985 4.320 -0.002 0.000 0.332 363 A C 0.303 177.942 177.584 0.091 0.000 1.131 363 A CA 0.113 52.213 52.037 0.106 0.000 0.844 363 A CB 0.363 19.407 19.000 0.074 0.000 1.251 363 A HN 0.777 nan 8.150 nan 0.000 0.486 364 N N -0.514 118.228 118.700 0.069 0.000 2.713 364 N HA -0.249 4.489 4.740 -0.002 0.000 0.251 364 N C 0.838 176.406 175.510 0.097 0.000 1.117 364 N CA 1.225 54.319 53.050 0.073 0.000 0.770 364 N CB -1.036 37.499 38.487 0.080 0.000 1.137 364 N HN 2.045 nan 8.380 nan 0.000 0.566 365 G N -1.219 107.645 108.800 0.106 0.000 2.159 365 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.256 365 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.256 365 G C 0.098 175.111 174.900 0.189 0.000 0.977 365 G CA 0.261 45.446 45.100 0.142 0.000 0.652 365 G HN 0.456 nan 8.290 nan 0.000 0.531 366 N N 0.007 118.806 118.700 0.164 0.000 2.399 366 N HA 0.090 4.829 4.740 -0.002 0.000 0.250 366 N C 1.093 176.719 175.510 0.193 0.000 1.272 366 N CA 0.106 53.253 53.050 0.162 0.000 0.928 366 N CB 0.135 38.698 38.487 0.128 0.000 1.158 366 N HN 0.360 nan 8.380 nan 0.000 0.463 367 N N -0.038 118.780 118.700 0.198 0.000 2.521 367 N HA -0.024 4.715 4.740 -0.002 0.000 0.188 367 N C 0.799 176.500 175.510 0.318 0.000 1.146 367 N CA 0.219 53.436 53.050 0.278 0.000 0.893 367 N CB 0.165 38.793 38.487 0.235 0.000 0.975 367 N HN 0.700 nan 8.380 nan 0.000 0.451 368 G N -0.087 108.846 108.800 0.221 0.000 2.598 368 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.244 368 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.244 368 G C 0.040 175.033 174.900 0.156 0.000 1.302 368 G CA -0.224 44.985 45.100 0.182 0.000 0.903 368 G HN 0.306 nan 8.290 nan 0.000 0.575 369 S N 0.048 115.856 115.700 0.179 0.000 3.614 369 S HA -0.095 4.374 4.470 -0.002 0.000 0.360 369 S C 0.104 174.751 174.600 0.078 0.000 1.023 369 S CA 2.916 61.226 58.200 0.183 0.000 1.114 369 S CB -1.591 61.761 63.200 0.254 0.000 0.907 369 S HN 1.914 nan 8.310 nan 0.000 0.470 370 D N -2.609 117.804 120.400 0.022 0.000 2.752 370 D HA 0.572 5.210 4.640 -0.002 0.000 0.313 370 D C 1.003 177.351 176.300 0.079 0.000 1.225 370 D CA -0.629 53.404 54.000 0.055 0.000 0.976 370 D CB 0.154 40.986 40.800 0.052 0.000 1.443 370 D HN -0.079 nan 8.370 nan 0.000 0.515 371 V N -0.028 119.927 119.914 0.068 0.000 2.282 371 V HA -0.267 3.852 4.120 -0.002 0.000 0.249 371 V C 2.240 178.359 176.094 0.042 0.000 1.057 371 V CA 2.804 65.142 62.300 0.062 0.000 1.032 371 V CB -1.022 30.817 31.823 0.026 0.000 0.645 371 V HN 0.758 nan 8.190 nan 0.000 0.447 372 T N 0.027 114.591 114.554 0.016 0.000 2.746 372 T HA -0.206 4.143 4.350 -0.002 0.000 0.267 372 T C 1.934 176.595 174.700 -0.066 0.000 1.039 372 T CA 1.627 63.722 62.100 -0.008 0.000 1.142 372 T CB -0.501 68.369 68.868 0.003 0.000 0.866 372 T HN 0.581 nan 8.240 nan 0.000 0.444 373 N N 0.862 119.509 118.700 -0.089 0.000 2.069 373 N HA -0.181 4.558 4.740 -0.002 0.000 0.191 373 N C 1.670 177.078 175.510 -0.169 0.000 1.031 373 N CA 1.600 54.549 53.050 -0.169 0.000 0.852 373 N CB -0.242 38.193 38.487 -0.086 0.000 1.018 373 N HN 0.560 nan 8.380 nan 0.000 0.423 374 H N 0.193 119.282 119.070 0.030 0.000 2.423 374 H HA -0.006 4.549 4.556 -0.002 0.000 0.297 374 H C 2.232 177.571 175.328 0.018 0.000 1.075 374 H CA 1.313 57.373 56.048 0.020 0.000 1.342 374 H CB 0.042 29.710 29.762 -0.158 0.000 1.395 374 H HN 0.368 nan 8.280 nan 0.000 0.530 375 Q N 0.951 120.793 119.800 0.069 0.000 2.050 375 Q HA -0.153 4.186 4.340 -0.002 0.000 0.202 375 Q C 2.116 178.123 176.000 0.012 0.000 0.980 375 Q CA 1.520 57.348 55.803 0.042 0.000 0.840 375 Q CB -0.028 28.725 28.738 0.024 0.000 0.898 375 Q HN 0.523 nan 8.270 nan 0.000 0.424 376 I N -0.519 119.989 120.570 -0.102 0.000 2.163 376 I HA -0.288 3.881 4.170 -0.002 0.000 0.243 376 I C 1.902 177.862 176.117 -0.261 0.000 1.085 376 I CA 1.484 62.639 61.300 -0.241 0.000 1.347 376 I CB -0.406 37.255 38.000 -0.566 0.000 1.044 376 I HN 0.345 nan 8.210 nan 0.000 0.408 377 W N 0.427 121.733 121.300 0.010 0.000 2.465 377 W HA -0.140 4.519 4.660 -0.002 0.000 0.268 377 W C 2.752 179.357 176.519 0.143 0.000 1.242 377 W CA 0.343 57.753 57.345 0.108 0.000 1.248 377 W CB -0.227 29.389 29.460 0.261 0.000 1.118 377 W HN -0.005 nan 8.180 nan 0.000 0.587 378 S N 0.196 116.058 115.700 0.270 0.000 2.371 378 S HA -0.152 4.316 4.470 -0.002 0.000 0.224 378 S C 1.421 176.103 174.600 0.137 0.000 1.029 378 S CA 1.210 59.518 58.200 0.181 0.000 0.978 378 S CB -0.267 62.997 63.200 0.107 0.000 0.833 378 S HN 0.349 nan 8.310 nan 0.000 0.466 379 E N 0.241 120.493 120.200 0.087 0.000 2.106 379 E HA -0.104 4.245 4.350 -0.002 0.000 0.192 379 E C 1.720 178.293 176.600 -0.046 0.000 0.984 379 E CA 0.801 57.245 56.400 0.074 0.000 0.806 379 E CB -0.207 29.597 29.700 0.173 0.000 0.750 379 E HN 0.493 nan 8.360 nan 0.000 0.458 380 F N 2.089 121.804 119.950 -0.392 0.000 2.102 380 F HA -0.191 4.335 4.527 -0.002 0.000 0.298 380 F C 2.490 178.285 175.800 -0.008 0.000 1.105 380 F CA 1.632 59.370 58.000 -0.436 0.000 1.239 380 F CB -0.001 38.905 39.000 -0.156 0.000 0.991 380 F HN -0.208 nan 8.300 nan 0.000 0.474 381 R N 0.357 121.003 120.500 0.243 0.000 2.073 381 R HA -0.193 4.146 4.340 -0.002 0.000 0.234 381 R C 2.037 178.380 176.300 0.071 0.000 1.134 381 R CA 1.890 58.104 56.100 0.189 0.000 0.952 381 R CB -0.427 30.022 30.300 0.249 0.000 0.850 381 R HN 0.292 nan 8.270 nan 0.000 0.433 382 N N 0.626 119.367 118.700 0.068 0.000 2.104 382 N HA -0.165 4.574 4.740 -0.002 0.000 0.190 382 N C 1.604 177.133 175.510 0.032 0.000 1.024 382 N CA 1.533 54.618 53.050 0.058 0.000 0.853 382 N CB -0.425 38.103 38.487 0.069 0.000 1.008 382 N HN 0.327 nan 8.380 nan 0.000 0.424 383 A N 0.902 123.719 122.820 -0.004 0.000 1.858 383 A HA -0.073 4.246 4.320 -0.002 0.000 0.216 383 A C 2.572 180.125 177.584 -0.051 0.000 1.190 383 A CA 1.451 53.483 52.037 -0.007 0.000 0.617 383 A CB -0.886 18.132 19.000 0.031 0.000 0.827 383 A HN 0.091 nan 8.150 nan 0.000 0.443 384 V N 0.639 120.452 119.914 -0.168 0.000 2.261 384 V HA -0.230 3.889 4.120 -0.002 0.000 0.246 384 V C 2.464 178.586 176.094 0.048 0.000 1.047 384 V CA 2.173 64.427 62.300 -0.076 0.000 1.015 384 V CB -0.619 31.120 31.823 -0.141 0.000 0.642 384 V HN 0.430 nan 8.190 nan 0.000 0.446 385 K N 0.620 121.055 120.400 0.058 0.000 2.209 385 K HA -0.064 4.255 4.320 -0.002 0.000 0.204 385 K C 2.143 178.789 176.600 0.076 0.000 1.048 385 K CA 1.307 57.647 56.287 0.088 0.000 0.940 385 K CB -0.939 31.620 32.500 0.099 0.000 0.729 385 K HN 0.560 nan 8.250 nan 0.000 0.451 386 G N 0.708 109.544 108.800 0.061 0.000 2.422 386 G HA2 -0.144 3.814 3.960 -0.002 0.000 0.218 386 G HA3 -0.144 3.814 3.960 -0.002 0.000 0.218 386 G C 1.618 176.556 174.900 0.063 0.000 1.140 386 G CA 0.427 45.561 45.100 0.058 0.000 0.775 386 G HN 0.136 nan 8.290 nan 0.000 0.545 387 V N 0.266 120.223 119.914 0.072 0.000 2.500 387 V HA 0.114 4.233 4.120 -0.002 0.000 0.243 387 V C 0.574 176.724 176.094 0.094 0.000 1.039 387 V CA 1.252 63.603 62.300 0.084 0.000 1.053 387 V CB -0.057 31.828 31.823 0.102 0.000 0.695 387 V HN 0.435 nan 8.190 nan 0.000 0.463 388 N N -0.808 117.957 118.700 0.108 0.000 2.629 388 N HA 0.066 4.804 4.740 -0.002 0.000 0.277 388 N C 0.731 176.318 175.510 0.128 0.000 1.188 388 N CA 0.537 53.658 53.050 0.119 0.000 0.835 388 N CB 1.688 40.261 38.487 0.143 0.000 1.420 388 N HN 0.090 nan 8.380 nan 0.000 0.542 389 S N 2.097 117.862 115.700 0.109 0.000 2.469 389 S HA -0.046 4.423 4.470 -0.002 0.000 0.238 389 S C 0.749 175.422 174.600 0.121 0.000 0.998 389 S CA 0.687 58.949 58.200 0.103 0.000 0.957 389 S CB -0.083 63.165 63.200 0.080 0.000 0.764 389 S HN 0.539 nan 8.310 nan 0.000 0.514 390 N N 1.777 120.578 118.700 0.168 0.000 2.251 390 N HA 0.388 5.126 4.740 -0.002 0.000 0.217 390 N C -0.220 175.524 175.510 0.390 0.000 1.124 390 N CA 0.311 53.515 53.050 0.257 0.000 0.843 390 N CB 0.783 39.463 38.487 0.321 0.000 1.024 390 N HN 0.539 nan 8.380 nan 0.000 0.501 391 A N 0.544 123.534 122.820 0.284 0.000 2.328 391 A HA 0.689 5.008 4.320 -0.002 0.000 0.284 391 A C 0.377 178.119 177.584 0.263 0.000 1.160 391 A CA -0.530 51.701 52.037 0.323 0.000 0.818 391 A CB 0.511 19.667 19.000 0.260 0.000 1.087 391 A HN 0.207 nan 8.150 nan 0.000 0.504 392 A N 2.499 125.489 122.820 0.284 0.000 2.340 392 A HA 0.662 4.981 4.320 -0.002 0.000 0.268 392 A C -0.218 177.465 177.584 0.165 0.000 1.100 392 A CA -0.259 51.832 52.037 0.090 0.000 0.803 392 A CB 0.070 19.015 19.000 -0.091 0.000 1.043 392 A HN 0.778 nan 8.150 nan 0.000 0.488 393 I N 2.743 123.382 120.570 0.115 0.000 2.448 393 I HA 0.306 4.475 4.170 -0.002 0.000 0.281 393 I C -1.029 175.053 176.117 -0.058 0.000 1.027 393 I CA 0.116 61.499 61.300 0.138 0.000 1.111 393 I CB 1.164 39.333 38.000 0.281 0.000 1.236 393 I HN 0.453 nan 8.210 nan 0.000 0.452 394 I N 5.354 125.799 120.570 -0.209 0.000 2.382 394 I HA 0.452 4.621 4.170 -0.002 0.000 0.286 394 I C 0.661 176.365 176.117 -0.688 0.000 1.002 394 I CA -0.462 60.627 61.300 -0.351 0.000 1.135 394 I CB 1.781 39.606 38.000 -0.291 0.000 1.288 394 I HN 0.556 nan 8.210 nan 0.000 0.448 395 G N 4.240 112.324 108.800 -1.192 0.000 2.400 395 G HA2 0.313 4.272 3.960 -0.002 0.000 0.301 395 G HA3 0.313 4.272 3.960 -0.002 0.000 0.301 395 G C -0.632 173.699 174.900 -0.949 0.000 1.154 395 G CA -0.394 43.569 45.100 -1.894 0.000 0.852 395 G HN 0.691 nan 8.290 nan 0.000 0.511 396 E N 0.240 120.088 120.200 -0.587 0.000 2.259 396 E HA 0.406 4.755 4.350 -0.002 0.000 0.281 396 E C -1.639 175.047 176.600 0.144 0.000 1.037 396 E CA -0.518 55.829 56.400 -0.088 0.000 0.854 396 E CB 0.698 30.442 29.700 0.075 0.000 1.051 396 E HN 0.397 nan 8.360 nan 0.000 0.409 397 Y N 4.162 124.574 120.300 0.188 0.000 2.436 397 Y HA 0.205 4.754 4.550 -0.002 0.000 0.327 397 Y C -1.305 174.876 175.900 0.468 0.000 1.138 397 Y CA -1.073 57.206 58.100 0.298 0.000 1.042 397 Y CB 0.797 39.381 38.460 0.207 0.000 1.302 397 Y HN 0.633 nan 8.280 nan 0.000 0.439 398 W N 2.897 123.960 121.300 -0.394 0.000 3.197 398 W HA 0.450 5.109 4.660 -0.002 0.000 0.274 398 W C 0.988 177.469 176.519 -0.063 0.000 1.297 398 W CA 0.513 57.717 57.345 -0.235 0.000 1.662 398 W CB 0.219 29.359 29.460 -0.534 0.000 1.106 398 W HN 0.698 nan 8.180 nan 0.000 0.663 399 G N -0.021 108.756 108.800 -0.039 0.000 3.175 399 G HA2 0.113 4.071 3.960 -0.002 0.000 0.153 399 G HA3 0.113 4.071 3.960 -0.002 0.000 0.153 399 G C -0.665 174.569 174.900 0.556 0.000 1.216 399 G CA -0.623 44.624 45.100 0.244 0.000 0.943 399 G HN -0.138 nan 8.290 nan 0.000 0.611 400 N N 0.937 119.958 118.700 0.536 0.000 2.402 400 N HA 0.353 5.092 4.740 -0.002 0.000 0.252 400 N C 0.714 176.519 175.510 0.493 0.000 1.118 400 N CA 0.105 53.386 53.050 0.385 0.000 0.945 400 N CB 1.140 39.709 38.487 0.136 0.000 1.147 400 N HN 0.455 nan 8.380 nan 0.000 0.495 401 A N 3.875 127.052 122.820 0.594 0.000 2.310 401 A HA -0.031 4.288 4.320 -0.002 0.000 0.230 401 A C 1.847 179.645 177.584 0.357 0.000 1.294 401 A CA -0.286 52.049 52.037 0.496 0.000 0.898 401 A CB -0.716 18.658 19.000 0.623 0.000 0.917 401 A HN 0.826 nan 8.150 nan 0.000 0.491 402 N N 1.341 120.091 118.700 0.083 0.000 2.094 402 N HA -0.149 4.590 4.740 -0.002 0.000 0.191 402 N C -1.143 174.252 175.510 -0.192 0.000 1.023 402 N CA 1.917 54.908 53.050 -0.098 0.000 0.857 402 N CB -0.693 37.662 38.487 -0.220 0.000 1.013 402 N HN 0.271 nan 8.380 nan 0.000 0.426 403 P HA -0.075 nan 4.420 nan 0.000 0.221 403 P C 0.556 177.328 177.300 -0.880 0.000 1.145 403 P CA 1.062 63.707 63.100 -0.758 0.000 0.795 403 P CB -0.214 30.802 31.700 -1.140 0.000 0.775 404 W N -1.058 119.916 121.300 -0.544 0.000 3.005 404 W HA 0.227 4.886 4.660 -0.002 0.000 0.374 404 W C 0.801 176.936 176.519 -0.639 0.000 1.076 404 W CA 0.521 57.350 57.345 -0.861 0.000 1.794 404 W CB -0.172 28.000 29.460 -2.147 0.000 1.113 404 W HN 0.127 nan 8.180 nan 0.000 0.584 405 T N -4.449 110.008 114.554 -0.161 0.000 3.177 405 T HA 0.198 4.547 4.350 -0.002 0.000 0.262 405 T C 1.838 176.438 174.700 -0.167 0.000 0.959 405 T CA 0.704 62.776 62.100 -0.047 0.000 0.996 405 T CB -0.266 68.710 68.868 0.181 0.000 1.185 405 T HN -0.168 nan 8.240 nan 0.000 0.486 406 A N 1.645 124.354 122.820 -0.186 0.000 2.186 406 A HA -0.033 4.286 4.320 -0.002 0.000 0.219 406 A C 2.075 179.549 177.584 -0.184 0.000 1.159 406 A CA 1.207 53.092 52.037 -0.254 0.000 0.680 406 A CB -0.744 18.123 19.000 -0.223 0.000 0.787 406 A HN 0.677 nan 8.150 nan 0.000 0.467 407 Q N -1.859 117.785 119.800 -0.260 0.000 2.247 407 Q HA 0.272 4.611 4.340 -0.002 0.000 0.211 407 Q C 1.004 176.764 176.000 -0.400 0.000 0.861 407 Q CA 0.216 55.886 55.803 -0.223 0.000 0.949 407 Q CB 0.393 29.018 28.738 -0.188 0.000 1.115 407 Q HN 0.791 nan 8.270 nan 0.000 0.507 408 G N 2.866 111.173 108.800 -0.822 0.000 2.225 408 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.267 408 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.267 408 G C 0.192 174.665 174.900 -0.712 0.000 1.024 408 G CA 0.960 45.066 45.100 -1.657 0.000 0.784 408 G HN 0.695 nan 8.290 nan 0.000 0.507 409 N N -2.149 116.325 118.700 -0.376 0.000 2.160 409 N HA 0.233 4.972 4.740 -0.002 0.000 0.226 409 N C 1.070 176.584 175.510 0.007 0.000 1.256 409 N CA -0.012 52.965 53.050 -0.121 0.000 0.890 409 N CB 0.399 38.838 38.487 -0.081 0.000 1.116 409 N HN 0.510 nan 8.380 nan 0.000 0.517 410 Q N -0.347 119.453 119.800 -0.000 0.000 1.989 410 Q HA 0.270 4.609 4.340 -0.002 0.000 0.166 410 Q C -0.693 175.518 176.000 0.352 0.000 0.536 410 Q CA -0.470 55.438 55.803 0.174 0.000 0.651 410 Q CB 0.405 29.161 28.738 0.030 0.000 1.468 410 Q HN 0.144 nan 8.270 nan 0.000 0.350 411 W N 1.626 122.988 121.300 0.103 0.000 2.332 411 W HA 0.267 4.926 4.660 -0.002 0.000 0.351 411 W C 0.522 177.131 176.519 0.149 0.000 1.195 411 W CA -0.763 56.621 57.345 0.065 0.000 1.334 411 W CB -0.014 29.415 29.460 -0.051 0.000 1.206 411 W HN 0.439 nan 8.180 nan 0.000 0.637 412 D N 0.226 120.835 120.400 0.349 0.000 2.240 412 D HA 0.265 4.904 4.640 -0.002 0.000 0.206 412 D C 0.610 176.986 176.300 0.126 0.000 0.963 412 D CA 1.012 55.145 54.000 0.222 0.000 0.863 412 D CB 0.716 41.532 40.800 0.027 0.000 0.973 412 D HN 0.271 nan 8.370 nan 0.000 0.501 413 A N -0.487 122.402 122.820 0.114 0.000 2.483 413 A HA 0.734 5.053 4.320 -0.002 0.000 0.306 413 A C -1.649 175.968 177.584 0.056 0.000 1.137 413 A CA -0.008 52.029 52.037 0.001 0.000 0.626 413 A CB 0.812 19.723 19.000 -0.148 0.000 1.352 413 A HN 0.112 nan 8.150 nan 0.000 0.508 414 A N -0.782 122.015 122.820 -0.039 0.000 2.593 414 A HA 0.833 5.152 4.320 -0.002 0.000 0.290 414 A C -0.075 177.465 177.584 -0.073 0.000 1.126 414 A CA 0.192 52.229 52.037 -0.000 0.000 0.695 414 A CB 0.476 19.650 19.000 0.290 0.000 1.290 414 A HN 2.183 nan 8.150 nan 0.000 0.414 415 T N -0.063 114.469 114.554 -0.038 0.000 2.784 415 T HA 0.169 4.517 4.350 -0.002 0.000 0.291 415 T C 0.150 174.769 174.700 -0.135 0.000 0.942 415 T CA -0.174 61.889 62.100 -0.061 0.000 1.161 415 T CB -0.089 68.774 68.868 -0.009 0.000 0.885 415 T HN 0.479 nan 8.240 nan 0.000 0.534 416 N N 2.450 120.946 118.700 -0.340 0.000 3.111 416 N HA 0.167 4.906 4.740 -0.002 0.000 0.302 416 N C 0.353 175.719 175.510 -0.240 0.000 1.317 416 N CA -0.841 52.079 53.050 -0.216 0.000 1.151 416 N CB -1.012 37.362 38.487 -0.188 0.000 1.456 416 N HN 0.680 nan 8.380 nan 0.000 0.547 417 F N -0.209 119.635 119.950 -0.176 0.000 2.095 417 F HA -0.168 4.358 4.527 -0.002 0.000 0.298 417 F C 2.170 178.081 175.800 0.185 0.000 1.104 417 F CA 1.177 59.105 58.000 -0.119 0.000 1.232 417 F CB -0.089 38.782 39.000 -0.216 0.000 0.987 417 F HN 0.254 nan 8.300 nan 0.000 0.475 418 D N -0.632 120.055 120.400 0.478 0.000 2.149 418 D HA -0.056 4.583 4.640 -0.002 0.000 0.201 418 D C 2.260 178.871 176.300 0.519 0.000 0.972 418 D CA 1.343 55.651 54.000 0.514 0.000 0.835 418 D CB -0.373 40.700 40.800 0.454 0.000 0.966 418 D HN 0.186 nan 8.370 nan 0.000 0.476 419 G N -2.366 106.674 108.800 0.399 0.000 3.088 419 G HA2 0.092 4.051 3.960 -0.002 0.000 0.217 419 G HA3 0.092 4.051 3.960 -0.002 0.000 0.217 419 G C 0.667 175.742 174.900 0.292 0.000 1.159 419 G CA -0.005 45.317 45.100 0.370 0.000 0.760 419 G HN 0.327 nan 8.290 nan 0.000 0.550 420 F N -0.403 119.560 119.950 0.021 0.000 1.832 420 F HA 0.134 4.660 4.527 -0.002 0.000 0.236 420 F C 2.383 178.141 175.800 -0.070 0.000 1.180 420 F CA 1.080 59.055 58.000 -0.042 0.000 1.297 420 F CB -0.138 38.810 39.000 -0.086 0.000 1.748 420 F HN -0.018 nan 8.300 nan 0.000 0.453 421 T N 0.817 115.357 114.554 -0.024 0.000 2.635 421 T HA -0.267 4.082 4.350 -0.002 0.000 0.267 421 T C 1.618 176.354 174.700 0.059 0.000 1.040 421 T CA 2.252 64.326 62.100 -0.043 0.000 1.156 421 T CB -0.422 68.407 68.868 -0.065 0.000 0.863 421 T HN 0.228 nan 8.240 nan 0.000 0.430 422 Q N 1.419 121.326 119.800 0.179 0.000 2.020 422 Q HA -0.036 4.303 4.340 -0.002 0.000 0.202 422 Q C -0.544 175.207 176.000 -0.414 0.000 0.982 422 Q CA 1.759 57.586 55.803 0.039 0.000 0.838 422 Q CB -1.070 27.799 28.738 0.218 0.000 0.899 422 Q HN 0.376 nan 8.270 nan 0.000 0.423 423 P HA -0.137 nan 4.420 nan 0.000 0.217 423 P C 1.212 178.276 177.300 -0.393 0.000 1.150 423 P CA 1.232 63.679 63.100 -1.088 0.000 0.832 423 P CB -0.018 30.846 31.700 -1.394 0.000 0.787 424 V N 0.477 120.205 119.914 -0.311 0.000 2.343 424 V HA -0.198 3.921 4.120 -0.002 0.000 0.247 424 V C 3.043 179.072 176.094 -0.108 0.000 1.051 424 V CA 2.366 64.501 62.300 -0.275 0.000 1.036 424 V CB -1.545 30.007 31.823 -0.451 0.000 0.654 424 V HN 0.246 nan 8.190 nan 0.000 0.451 425 S N -0.317 115.353 115.700 -0.051 0.000 2.353 425 S HA -0.247 4.222 4.470 -0.002 0.000 0.222 425 S C 1.969 176.512 174.600 -0.095 0.000 1.035 425 S CA 2.034 60.243 58.200 0.016 0.000 1.025 425 S CB -0.267 62.962 63.200 0.048 0.000 0.902 425 S HN 0.737 nan 8.310 nan 0.000 0.440 426 E N -0.951 119.167 120.200 -0.138 0.000 2.150 426 E HA -0.156 4.193 4.350 -0.002 0.000 0.193 426 E C 1.729 178.283 176.600 -0.076 0.000 0.985 426 E CA 1.075 57.412 56.400 -0.104 0.000 0.814 426 E CB -0.217 29.434 29.700 -0.082 0.000 0.752 426 E HN 0.750 nan 8.360 nan 0.000 0.466 427 W N 1.499 122.567 121.300 -0.387 0.000 2.408 427 W HA -0.045 4.614 4.660 -0.002 0.000 0.311 427 W C 1.773 178.084 176.519 -0.348 0.000 1.190 427 W CA 1.099 58.148 57.345 -0.492 0.000 1.321 427 W CB -0.222 28.544 29.460 -1.156 0.000 1.143 427 W HN -0.110 nan 8.180 nan 0.000 0.501 428 I N -0.097 120.265 120.570 -0.346 0.000 2.400 428 I HA -0.176 3.993 4.170 -0.002 0.000 0.248 428 I C 2.391 178.339 176.117 -0.282 0.000 1.109 428 I CA 1.858 62.930 61.300 -0.381 0.000 1.425 428 I CB -0.937 36.999 38.000 -0.106 0.000 1.094 428 I HN 0.066 nan 8.210 nan 0.000 0.425 429 T N -2.524 111.877 114.554 -0.255 0.000 3.037 429 T HA 0.261 4.609 4.350 -0.002 0.000 0.251 429 T C 1.599 176.182 174.700 -0.195 0.000 1.079 429 T CA 0.534 62.464 62.100 -0.284 0.000 1.067 429 T CB 0.588 69.213 68.868 -0.406 0.000 0.948 429 T HN 0.486 nan 8.240 nan 0.000 0.496 430 G N 1.723 110.431 108.800 -0.154 0.000 2.155 430 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.257 430 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.257 430 G C -0.116 174.733 174.900 -0.085 0.000 0.983 430 G CA 0.317 45.357 45.100 -0.100 0.000 0.676 430 G HN 0.671 nan 8.290 nan 0.000 0.528 431 K N 0.652 120.990 120.400 -0.104 0.000 2.385 431 K HA 0.516 4.835 4.320 -0.002 0.000 0.248 431 K C -0.132 176.422 176.600 -0.077 0.000 0.955 431 K CA -0.449 55.788 56.287 -0.084 0.000 0.816 431 K CB 1.991 34.432 32.500 -0.098 0.000 1.250 431 K HN 0.296 nan 8.250 nan 0.000 0.434 432 D N -0.439 119.919 120.400 -0.071 0.000 2.433 432 D HA -0.015 4.623 4.640 -0.002 0.000 0.255 432 D C 1.022 177.286 176.300 -0.059 0.000 1.226 432 D CA -0.158 53.763 54.000 -0.132 0.000 1.015 432 D CB 0.028 40.712 40.800 -0.192 0.000 1.091 432 D HN 0.549 nan 8.370 nan 0.000 0.527 433 Y N -2.475 117.886 120.300 0.102 0.000 2.680 433 Y HA 0.100 4.649 4.550 -0.002 0.000 0.303 433 Y C 1.221 177.191 175.900 0.116 0.000 1.166 433 Y CA 0.240 58.413 58.100 0.121 0.000 1.344 433 Y CB -0.789 37.789 38.460 0.197 0.000 1.002 433 Y HN 0.146 nan 8.280 nan 0.000 0.537 434 Q N 1.165 121.135 119.800 0.285 0.000 2.319 434 Q HA 0.030 4.369 4.340 -0.002 0.000 0.202 434 Q C 0.084 176.147 176.000 0.104 0.000 0.896 434 Q CA 0.348 56.285 55.803 0.223 0.000 0.942 434 Q CB -0.336 28.512 28.738 0.182 0.000 1.083 434 Q HN 0.834 nan 8.270 nan 0.000 0.510 435 N N 0.771 119.510 118.700 0.065 0.000 2.818 435 N HA -0.133 4.605 4.740 -0.002 0.000 0.250 435 N C -0.852 174.655 175.510 -0.005 0.000 1.108 435 N CA -0.042 53.014 53.050 0.011 0.000 0.745 435 N CB -0.217 38.277 38.487 0.012 0.000 1.104 435 N HN 0.159 nan 8.380 nan 0.000 0.557 436 N N 0.173 118.869 118.700 -0.006 0.000 2.466 436 N HA 0.209 4.948 4.740 -0.002 0.000 0.294 436 N C -0.639 174.856 175.510 -0.025 0.000 1.129 436 N CA -0.171 52.871 53.050 -0.013 0.000 0.931 436 N CB 1.537 40.020 38.487 -0.006 0.000 1.193 436 N HN 0.070 nan 8.380 nan 0.000 0.500 437 S N 0.712 116.398 115.700 -0.023 0.000 2.546 437 S HA 0.349 4.818 4.470 -0.002 0.000 0.290 437 S C -0.026 174.564 174.600 -0.017 0.000 1.262 437 S CA -0.315 57.870 58.200 -0.025 0.000 1.083 437 S CB -0.026 63.161 63.200 -0.021 0.000 0.859 437 S HN 0.632 nan 8.310 nan 0.000 0.495 438 A N 3.003 125.813 122.820 -0.017 0.000 2.538 438 A HA 0.554 4.872 4.320 -0.002 0.000 0.293 438 A C -0.363 177.225 177.584 0.007 0.000 1.065 438 A CA -0.597 51.444 52.037 0.006 0.000 0.936 438 A CB 0.935 19.941 19.000 0.011 0.000 1.481 438 A HN 0.593 nan 8.150 nan 0.000 0.394 439 S N 2.318 118.031 115.700 0.022 0.000 2.532 439 S HA 0.918 5.387 4.470 -0.002 0.000 0.301 439 S C -0.309 174.335 174.600 0.073 0.000 1.083 439 S CA -0.469 57.744 58.200 0.022 0.000 1.025 439 S CB 0.804 64.002 63.200 -0.003 0.000 1.056 439 S HN 1.497 nan 8.310 nan 0.000 0.494 440 I N 0.880 121.509 120.570 0.099 0.000 2.865 440 I HA 0.700 4.869 4.170 -0.002 0.000 0.302 440 I C -0.041 176.196 176.117 0.199 0.000 1.140 440 I CA -0.927 60.469 61.300 0.160 0.000 1.021 440 I CB 2.109 40.246 38.000 0.229 0.000 1.233 440 I HN 0.644 nan 8.210 nan 0.000 0.427 441 S N 2.357 118.166 115.700 0.181 0.000 2.661 441 S HA 0.284 4.753 4.470 -0.002 0.000 0.265 441 S C 0.894 175.642 174.600 0.245 0.000 1.225 441 S CA 0.058 58.379 58.200 0.202 0.000 0.986 441 S CB 1.160 64.438 63.200 0.131 0.000 1.008 441 S HN 0.751 nan 8.310 nan 0.000 0.565 442 T N 1.564 116.279 114.554 0.269 0.000 2.746 442 T HA -0.097 4.252 4.350 -0.002 0.000 0.267 442 T C 2.183 176.847 174.700 -0.059 0.000 1.039 442 T CA 1.989 64.164 62.100 0.124 0.000 1.142 442 T CB -1.136 67.895 68.868 0.272 0.000 0.866 442 T HN 0.943 nan 8.240 nan 0.000 0.444 443 T N 1.070 115.648 114.554 0.041 0.000 2.788 443 T HA -0.139 4.210 4.350 -0.002 0.000 0.268 443 T C 1.962 176.672 174.700 0.017 0.000 1.044 443 T CA 1.045 63.164 62.100 0.031 0.000 1.139 443 T CB -0.431 68.479 68.868 0.069 0.000 0.867 443 T HN 0.382 nan 8.240 nan 0.000 0.454 444 Q N -0.212 119.623 119.800 0.059 0.000 2.119 444 Q HA 0.090 4.429 4.340 -0.002 0.000 0.201 444 Q C 1.956 178.027 176.000 0.118 0.000 0.972 444 Q CA 1.293 57.159 55.803 0.104 0.000 0.847 444 Q CB -0.326 28.504 28.738 0.154 0.000 0.903 444 Q HN 0.676 nan 8.270 nan 0.000 0.433 445 F N 1.602 121.421 119.950 -0.218 0.000 2.075 445 F HA -0.286 4.240 4.527 -0.002 0.000 0.297 445 F C 1.931 177.460 175.800 -0.452 0.000 1.113 445 F CA 1.793 59.505 58.000 -0.481 0.000 1.218 445 F CB -0.006 38.316 39.000 -1.129 0.000 0.984 445 F HN 0.092 nan 8.300 nan 0.000 0.472 446 D N -0.553 119.496 120.400 -0.585 0.000 2.123 446 D HA -0.240 4.399 4.640 -0.002 0.000 0.196 446 D C 2.296 178.505 176.300 -0.152 0.000 0.992 446 D CA 1.640 55.377 54.000 -0.439 0.000 0.833 446 D CB -0.307 40.390 40.800 -0.173 0.000 0.954 446 D HN 0.269 nan 8.370 nan 0.000 0.455 447 S N -1.054 114.612 115.700 -0.056 0.000 2.368 447 S HA -0.149 4.319 4.470 -0.002 0.000 0.224 447 S C 1.779 176.408 174.600 0.048 0.000 1.029 447 S CA 1.093 59.300 58.200 0.011 0.000 0.988 447 S CB -0.706 62.511 63.200 0.027 0.000 0.838 447 S HN 0.551 nan 8.310 nan 0.000 0.462 448 W N 2.110 123.318 121.300 -0.154 0.000 2.335 448 W HA -0.082 4.577 4.660 -0.002 0.000 0.311 448 W C 1.813 178.240 176.519 -0.154 0.000 1.213 448 W CA 1.138 58.407 57.345 -0.126 0.000 1.274 448 W CB -1.052 28.345 29.460 -0.104 0.000 1.148 448 W HN 0.351 nan 8.180 nan 0.000 0.498 449 L N 0.140 121.372 121.223 0.014 0.000 2.017 449 L HA -0.239 4.099 4.340 -0.002 0.000 0.208 449 L C 2.860 179.733 176.870 0.005 0.000 1.073 449 L CA 1.938 56.729 54.840 -0.082 0.000 0.745 449 L CB -1.060 40.759 42.059 -0.400 0.000 0.894 449 L HN -0.096 nan 8.230 nan 0.000 0.432 450 R N 0.262 120.746 120.500 -0.026 0.000 2.083 450 R HA -0.160 4.179 4.340 -0.002 0.000 0.237 450 R C 2.251 178.540 176.300 -0.018 0.000 1.137 450 R CA 1.662 57.751 56.100 -0.019 0.000 0.951 450 R CB -0.545 29.760 30.300 0.009 0.000 0.851 450 R HN 0.410 nan 8.270 nan 0.000 0.434 451 G N -0.521 108.274 108.800 -0.009 0.000 2.422 451 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.218 451 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.218 451 G C 1.461 176.352 174.900 -0.015 0.000 1.146 451 G CA 1.328 46.404 45.100 -0.041 0.000 0.769 451 G HN 0.563 nan 8.290 nan 0.000 0.547 452 T N -1.134 113.467 114.554 0.079 0.000 2.942 452 T HA 0.055 4.403 4.350 -0.002 0.000 0.265 452 T C 2.290 177.082 174.700 0.153 0.000 1.062 452 T CA 0.652 62.834 62.100 0.136 0.000 1.139 452 T CB -0.165 68.885 68.868 0.304 0.000 0.883 452 T HN 0.255 nan 8.240 nan 0.000 0.468 453 R N 1.358 121.933 120.500 0.126 0.000 2.096 453 R HA 0.153 4.492 4.340 -0.002 0.000 0.235 453 R C 2.856 179.210 176.300 0.089 0.000 1.127 453 R CA 1.231 57.404 56.100 0.122 0.000 0.968 453 R CB -0.667 29.629 30.300 -0.006 0.000 0.861 453 R HN 0.517 nan 8.270 nan 0.000 0.440 454 A N 1.443 124.261 122.820 -0.003 0.000 2.178 454 A HA -0.124 4.195 4.320 -0.002 0.000 0.218 454 A C 1.418 178.969 177.584 -0.054 0.000 1.157 454 A CA 1.103 53.105 52.037 -0.058 0.000 0.689 454 A CB -0.311 18.603 19.000 -0.144 0.000 0.787 454 A HN 0.250 nan 8.150 nan 0.000 0.465 455 N N -1.155 117.451 118.700 -0.156 0.000 2.459 455 N HA 0.027 4.766 4.740 -0.002 0.000 0.181 455 N C -0.468 174.741 175.510 -0.502 0.000 1.046 455 N CA 0.753 53.571 53.050 -0.388 0.000 0.904 455 N CB -0.131 37.935 38.487 -0.702 0.000 0.964 455 N HN 0.649 nan 8.380 nan 0.000 0.444 456 Y N -0.606 119.695 120.300 0.001 0.000 2.570 456 Y HA 0.466 5.015 4.550 -0.002 0.000 0.345 456 Y C -2.175 173.638 175.900 -0.144 0.000 1.014 456 Y CA -2.602 55.426 58.100 -0.120 0.000 1.063 456 Y CB 1.365 39.797 38.460 -0.047 0.000 1.272 456 Y HN -0.211 nan 8.280 nan 0.000 0.477 457 P HA 0.082 nan 4.420 nan 0.000 0.272 457 P C 0.432 177.797 177.300 0.108 0.000 1.230 457 P CA 0.168 63.261 63.100 -0.012 0.000 0.788 457 P CB 0.780 32.484 31.700 0.007 0.000 0.949 458 T N 0.422 115.061 114.554 0.142 0.000 2.684 458 T HA -0.190 4.159 4.350 -0.002 0.000 0.267 458 T C 1.445 176.129 174.700 -0.027 0.000 1.036 458 T CA 2.139 64.282 62.100 0.072 0.000 1.148 458 T CB -1.135 67.786 68.868 0.089 0.000 0.863 458 T HN 0.652 nan 8.240 nan 0.000 0.436 459 N N 1.078 119.736 118.700 -0.069 0.000 2.289 459 N HA -0.087 4.652 4.740 -0.002 0.000 0.184 459 N C 1.722 177.115 175.510 -0.194 0.000 1.016 459 N CA 0.750 53.694 53.050 -0.177 0.000 0.872 459 N CB -0.431 37.877 38.487 -0.299 0.000 0.973 459 N HN 0.189 nan 8.380 nan 0.000 0.433 460 V N 1.300 121.144 119.914 -0.118 0.000 2.379 460 V HA -0.199 3.920 4.120 -0.002 0.000 0.245 460 V C 2.567 178.539 176.094 -0.202 0.000 1.044 460 V CA 1.582 63.812 62.300 -0.116 0.000 1.036 460 V CB -0.708 31.122 31.823 0.011 0.000 0.664 460 V HN 0.347 nan 8.190 nan 0.000 0.453 461 Q N -0.134 119.583 119.800 -0.138 0.000 2.077 461 Q HA -0.307 4.032 4.340 -0.002 0.000 0.206 461 Q C 2.253 178.120 176.000 -0.221 0.000 0.989 461 Q CA 2.019 57.723 55.803 -0.165 0.000 0.853 461 Q CB -0.275 28.413 28.738 -0.082 0.000 0.907 461 Q HN 0.689 nan 8.270 nan 0.000 0.418 462 Q N -0.304 119.377 119.800 -0.198 0.000 2.437 462 Q HA -0.032 4.307 4.340 -0.002 0.000 0.210 462 Q C 1.170 177.029 176.000 -0.235 0.000 0.972 462 Q CA 0.893 56.569 55.803 -0.212 0.000 0.903 462 Q CB 0.321 28.952 28.738 -0.177 0.000 0.967 462 Q HN 0.146 nan 8.270 nan 0.000 0.486 463 S N -0.520 115.031 115.700 -0.249 0.000 2.559 463 S HA 0.188 4.657 4.470 -0.002 0.000 0.226 463 S C 0.312 174.755 174.600 -0.261 0.000 1.000 463 S CA -0.211 57.828 58.200 -0.268 0.000 0.948 463 S CB 0.374 63.407 63.200 -0.278 0.000 0.870 463 S HN 0.219 nan 8.310 nan 0.000 0.497 464 M N 1.818 121.253 119.600 -0.275 0.000 2.248 464 M HA 0.206 4.684 4.480 -0.002 0.000 0.337 464 M C 0.094 176.232 176.300 -0.270 0.000 1.121 464 M CA 0.394 55.525 55.300 -0.283 0.000 1.155 464 M CB -0.204 32.214 32.600 -0.304 0.000 1.514 464 M HN 0.233 nan 8.290 nan 0.000 0.452 465 M N 4.266 123.720 119.600 -0.242 0.000 2.319 465 M HA 0.144 4.623 4.480 -0.002 0.000 0.343 465 M C -0.792 175.311 176.300 -0.327 0.000 1.364 465 M CA -0.205 54.980 55.300 -0.192 0.000 1.292 465 M CB -0.195 32.352 32.600 -0.088 0.000 1.432 465 M HN 0.399 nan 8.290 nan 0.000 0.448 466 N N 7.002 125.418 118.700 -0.474 0.000 2.558 466 N HA 0.302 5.041 4.740 -0.002 0.000 0.233 466 N C -1.346 173.763 175.510 -0.667 0.000 1.038 466 N CA 0.006 52.484 53.050 -0.954 0.000 0.934 466 N CB 0.087 37.621 38.487 -1.588 0.000 1.175 466 N HN 0.471 nan 8.380 nan 0.000 0.512 467 F N -1.133 118.703 119.950 -0.191 0.000 2.507 467 F HA 0.531 5.056 4.527 -0.002 0.000 0.327 467 F C 1.009 176.952 175.800 0.239 0.000 1.068 467 F CA -1.144 56.856 58.000 -0.000 0.000 0.965 467 F CB 1.148 40.082 39.000 -0.110 0.000 1.192 467 F HN 0.007 nan 8.300 nan 0.000 0.476 468 L N 0.666 122.126 121.223 0.395 0.000 2.209 468 L HA 0.153 4.492 4.340 -0.002 0.000 0.207 468 L C 0.236 177.299 176.870 0.322 0.000 1.094 468 L CA 0.735 55.726 54.840 0.252 0.000 0.790 468 L CB -0.328 41.732 42.059 0.002 0.000 0.932 468 L HN 0.742 nan 8.230 nan 0.000 0.447 469 S N -0.907 114.997 115.700 0.339 0.000 2.656 469 S HA 0.565 5.034 4.470 -0.002 0.000 0.273 469 S C -1.153 173.329 174.600 -0.196 0.000 1.168 469 S CA -0.909 57.406 58.200 0.191 0.000 0.817 469 S CB 2.249 65.579 63.200 0.217 0.000 1.146 469 S HN 0.313 nan 8.310 nan 0.000 0.475 470 N N -0.411 117.901 118.700 -0.648 0.000 3.179 470 N HA 0.149 4.888 4.740 -0.002 0.000 0.250 470 N C 0.091 174.945 175.510 -1.093 0.000 1.507 470 N CA -0.597 51.598 53.050 -1.424 0.000 0.883 470 N CB -0.198 37.497 38.487 -1.320 0.000 1.435 470 N HN 0.751 nan 8.380 nan 0.000 0.532 471 H N -1.239 117.313 119.070 -0.863 0.000 2.560 471 H HA 0.115 4.670 4.556 -0.002 0.000 0.283 471 H C -0.703 174.572 175.328 -0.089 0.000 1.028 471 H CA 0.914 56.833 56.048 -0.216 0.000 1.221 471 H CB -0.196 29.623 29.762 0.095 0.000 1.363 471 H HN 0.490 nan 8.280 nan 0.000 0.594 472 D N 0.731 120.863 120.400 -0.447 0.000 2.469 472 D HA 0.226 4.865 4.640 -0.002 0.000 0.215 472 D C 1.029 177.359 176.300 0.050 0.000 1.154 472 D CA -0.007 53.908 54.000 -0.142 0.000 0.832 472 D CB 1.022 41.810 40.800 -0.020 0.000 1.008 472 D HN 0.568 nan 8.370 nan 0.000 0.506 473 I N -2.536 118.025 120.570 -0.016 0.000 3.174 473 I HA 0.474 4.643 4.170 -0.002 0.000 0.313 473 I C 0.182 176.342 176.117 0.072 0.000 1.155 473 I CA -1.054 60.297 61.300 0.086 0.000 0.977 473 I CB 1.774 39.821 38.000 0.078 0.000 1.248 473 I HN -0.261 nan 8.210 nan 0.000 0.453 474 T N 0.220 114.848 114.554 0.123 0.000 2.860 474 T HA 0.325 4.674 4.350 -0.002 0.000 0.299 474 T C 0.388 175.145 174.700 0.096 0.000 1.045 474 T CA -0.625 61.529 62.100 0.090 0.000 1.071 474 T CB 0.580 69.496 68.868 0.082 0.000 0.985 474 T HN 0.536 nan 8.240 nan 0.000 0.537 475 R N 1.131 121.675 120.500 0.073 0.000 2.590 475 R HA 0.146 4.485 4.340 -0.002 0.000 0.274 475 R C 0.954 177.316 176.300 0.103 0.000 1.061 475 R CA -0.303 55.854 56.100 0.096 0.000 1.081 475 R CB -0.016 30.305 30.300 0.035 0.000 0.984 475 R HN 0.850 nan 8.270 nan 0.000 0.448 476 F N 2.625 122.594 119.950 0.032 0.000 2.126 476 F HA -0.239 4.287 4.527 -0.002 0.000 0.299 476 F C 2.002 177.792 175.800 -0.018 0.000 1.096 476 F CA 2.143 60.153 58.000 0.018 0.000 1.255 476 F CB -0.023 38.996 39.000 0.033 0.000 0.997 476 F HN 0.683 nan 8.300 nan 0.000 0.479 477 A N -1.095 121.797 122.820 0.119 0.000 2.070 477 A HA -0.148 4.171 4.320 -0.002 0.000 0.220 477 A C 2.144 179.678 177.584 -0.083 0.000 1.159 477 A CA 2.118 54.165 52.037 0.016 0.000 0.656 477 A CB -1.213 17.808 19.000 0.035 0.000 0.800 477 A HN 0.445 nan 8.150 nan 0.000 0.453 478 T N -0.908 113.599 114.554 -0.079 0.000 2.894 478 T HA -0.027 4.322 4.350 -0.002 0.000 0.258 478 T C 2.048 176.669 174.700 -0.133 0.000 1.043 478 T CA 1.072 63.124 62.100 -0.079 0.000 1.141 478 T CB -0.143 68.703 68.868 -0.037 0.000 0.873 478 T HN 0.506 nan 8.240 nan 0.000 0.449 479 R N 1.540 121.924 120.500 -0.193 0.000 2.152 479 R HA -0.045 4.294 4.340 -0.002 0.000 0.232 479 R C 2.538 178.641 176.300 -0.329 0.000 1.117 479 R CA 1.540 57.492 56.100 -0.246 0.000 0.981 479 R CB -0.211 29.915 30.300 -0.290 0.000 0.870 479 R HN 0.403 nan 8.270 nan 0.000 0.451 480 S N -0.762 114.684 115.700 -0.423 0.000 2.603 480 S HA 0.089 4.558 4.470 -0.002 0.000 0.220 480 S C 1.309 175.775 174.600 -0.223 0.000 0.967 480 S CA 0.312 58.282 58.200 -0.384 0.000 0.920 480 S CB 0.533 63.478 63.200 -0.424 0.000 0.773 480 S HN 0.475 nan 8.310 nan 0.000 0.529 481 G N 0.761 109.459 108.800 -0.169 0.000 2.179 481 G HA2 0.029 3.987 3.960 -0.002 0.000 0.257 481 G HA3 0.029 3.987 3.960 -0.002 0.000 0.257 481 G C 1.071 175.920 174.900 -0.085 0.000 1.010 481 G CA 0.348 45.382 45.100 -0.110 0.000 0.736 481 G HN 1.868 nan 8.290 nan 0.000 0.513 482 G N -0.924 107.826 108.800 -0.084 0.000 2.179 482 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.260 482 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.260 482 G C 0.191 175.063 174.900 -0.046 0.000 0.977 482 G CA 0.922 45.992 45.100 -0.050 0.000 0.641 482 G HN 1.449 nan 8.290 nan 0.000 0.533 483 D N 0.911 121.265 120.400 -0.076 0.000 2.359 483 D HA 0.355 4.994 4.640 -0.002 0.000 0.250 483 D C 1.944 178.195 176.300 -0.081 0.000 1.264 483 D CA -0.374 53.590 54.000 -0.061 0.000 0.911 483 D CB 0.025 40.754 40.800 -0.118 0.000 1.056 483 D HN 0.240 nan 8.370 nan 0.000 0.499 484 L N 2.820 123.987 121.223 -0.093 0.000 2.127 484 L HA -0.164 4.175 4.340 -0.002 0.000 0.211 484 L C 1.631 178.009 176.870 -0.821 0.000 1.089 484 L CA 0.938 55.570 54.840 -0.347 0.000 0.757 484 L CB -0.291 41.571 42.059 -0.327 0.000 0.899 484 L HN 0.530 nan 8.230 nan 0.000 0.434 485 W N 0.557 121.448 121.300 -0.682 0.000 2.392 485 W HA -0.143 4.516 4.660 -0.002 0.000 0.279 485 W C 2.532 178.930 176.519 -0.202 0.000 1.225 485 W CA 0.817 57.866 57.345 -0.494 0.000 1.233 485 W CB -0.291 29.154 29.460 -0.024 0.000 1.122 485 W HN 0.012 nan 8.180 nan 0.000 0.561 486 K N -0.812 119.555 120.400 -0.054 0.000 2.148 486 K HA -0.091 4.228 4.320 -0.002 0.000 0.204 486 K C 1.869 178.607 176.600 0.230 0.000 1.050 486 K CA 1.615 57.890 56.287 -0.021 0.000 0.942 486 K CB -0.424 31.976 32.500 -0.166 0.000 0.724 486 K HN 0.037 nan 8.250 nan 0.000 0.446 487 T N 0.354 114.993 114.554 0.143 0.000 2.857 487 T HA -0.074 4.275 4.350 -0.002 0.000 0.266 487 T C 1.527 176.315 174.700 0.147 0.000 1.048 487 T CA 0.937 63.118 62.100 0.135 0.000 1.139 487 T CB -0.235 68.691 68.868 0.097 0.000 0.874 487 T HN 0.284 nan 8.240 nan 0.000 0.455 488 Y N 0.657 121.027 120.300 0.116 0.000 2.128 488 Y HA -0.157 4.392 4.550 -0.002 0.000 0.284 488 Y C 2.450 178.409 175.900 0.098 0.000 1.154 488 Y CA 0.291 58.452 58.100 0.101 0.000 1.149 488 Y CB -0.357 38.213 38.460 0.183 0.000 0.976 488 Y HN 0.122 nan 8.280 nan 0.000 0.505 489 L N 0.655 122.080 121.223 0.336 0.000 2.017 489 L HA -0.186 4.153 4.340 -0.002 0.000 0.208 489 L C 2.463 179.478 176.870 0.242 0.000 1.073 489 L CA 1.960 56.963 54.840 0.272 0.000 0.745 489 L CB -1.038 41.183 42.059 0.270 0.000 0.894 489 L HN 0.143 nan 8.230 nan 0.000 0.432 490 A N -0.573 122.328 122.820 0.134 0.000 1.908 490 A HA -0.185 4.134 4.320 -0.002 0.000 0.218 490 A C 2.281 179.939 177.584 0.123 0.000 1.181 490 A CA 2.064 54.108 52.037 0.013 0.000 0.627 490 A CB -0.934 17.715 19.000 -0.584 0.000 0.818 490 A HN 0.513 nan 8.150 nan 0.000 0.445 491 L N -0.599 120.681 121.223 0.095 0.000 2.046 491 L HA -0.178 4.161 4.340 -0.002 0.000 0.208 491 L C 2.485 179.456 176.870 0.168 0.000 1.077 491 L CA 1.262 56.179 54.840 0.127 0.000 0.747 491 L CB -0.496 41.633 42.059 0.116 0.000 0.896 491 L HN 0.390 nan 8.230 nan 0.000 0.432 492 I N -1.060 119.613 120.570 0.171 0.000 2.226 492 I HA -0.332 3.837 4.170 -0.002 0.000 0.245 492 I C 2.483 178.772 176.117 0.288 0.000 1.100 492 I CA 1.418 62.815 61.300 0.162 0.000 1.374 492 I CB -0.329 37.724 38.000 0.089 0.000 1.057 492 I HN 0.168 nan 8.210 nan 0.000 0.413 493 F N 1.600 121.713 119.950 0.272 0.000 2.113 493 F HA -0.260 4.266 4.527 -0.002 0.000 0.297 493 F C 2.699 178.742 175.800 0.405 0.000 1.103 493 F CA 1.928 60.166 58.000 0.396 0.000 1.248 493 F CB -0.555 38.686 39.000 0.402 0.000 0.999 493 F HN 0.013 nan 8.300 nan 0.000 0.475 494 Q N -0.338 119.668 119.800 0.343 0.000 2.077 494 Q HA -0.233 4.105 4.340 -0.002 0.000 0.206 494 Q C 1.935 177.991 176.000 0.093 0.000 0.989 494 Q CA 1.996 57.984 55.803 0.309 0.000 0.853 494 Q CB -0.153 28.814 28.738 0.381 0.000 0.907 494 Q HN 0.340 nan 8.270 nan 0.000 0.418 495 M N 0.027 119.692 119.600 0.109 0.000 2.659 495 M HA -0.023 4.456 4.480 -0.002 0.000 0.243 495 M C 1.357 177.704 176.300 0.077 0.000 1.111 495 M CA 1.163 56.507 55.300 0.075 0.000 1.070 495 M CB -0.217 32.433 32.600 0.082 0.000 1.525 495 M HN 0.326 nan 8.290 nan 0.000 0.517 496 T N -4.599 110.014 114.554 0.100 0.000 3.043 496 T HA 0.134 4.483 4.350 -0.002 0.000 0.272 496 T C 0.163 174.978 174.700 0.191 0.000 0.990 496 T CA -0.405 61.789 62.100 0.156 0.000 0.897 496 T CB 0.024 69.023 68.868 0.219 0.000 1.111 496 T HN 0.091 nan 8.240 nan 0.000 0.529 497 Y N 1.666 121.870 120.300 -0.161 0.000 2.418 497 Y HA 0.617 5.166 4.550 -0.002 0.000 0.327 497 Y C -0.062 175.743 175.900 -0.158 0.000 1.309 497 Y CA -1.988 55.944 58.100 -0.280 0.000 1.423 497 Y CB 0.982 39.033 38.460 -0.681 0.000 1.423 497 Y HN -0.050 nan 8.280 nan 0.000 0.532 498 V N 2.842 122.096 119.914 -1.101 0.000 2.432 498 V HA 0.583 4.701 4.120 -0.002 0.000 0.271 498 V C 0.289 176.044 176.094 -0.564 0.000 1.046 498 V CA 0.558 62.405 62.300 -0.755 0.000 0.945 498 V CB -0.132 31.182 31.823 -0.848 0.000 0.992 498 V HN 1.027 nan 8.190 nan 0.000 0.471 499 G N 3.606 112.198 108.800 -0.347 0.000 2.428 499 G HA2 -0.040 3.919 3.960 -0.002 0.000 0.681 499 G HA3 -0.040 3.919 3.960 -0.002 0.000 0.681 499 G C -0.472 174.269 174.900 -0.266 0.000 1.340 499 G CA -0.722 44.197 45.100 -0.302 0.000 0.915 499 G HN 0.641 nan 8.290 nan 0.000 0.645 500 T N 3.306 117.712 114.554 -0.247 0.000 2.761 500 T HA 0.436 4.785 4.350 -0.002 0.000 0.287 500 T C -2.151 172.429 174.700 -0.200 0.000 0.931 500 T CA -0.095 61.892 62.100 -0.189 0.000 1.164 500 T CB 0.852 69.624 68.868 -0.160 0.000 0.876 500 T HN 0.403 nan 8.240 nan 0.000 0.534 501 P HA 0.169 nan 4.420 nan 0.000 0.267 501 P C -0.455 176.815 177.300 -0.050 0.000 1.209 501 P CA -0.035 62.984 63.100 -0.134 0.000 0.763 501 P CB 0.375 32.048 31.700 -0.044 0.000 0.816 502 T N 4.937 119.470 114.554 -0.036 0.000 2.815 502 T HA 0.474 4.822 4.350 -0.002 0.000 0.289 502 T C 0.156 174.933 174.700 0.129 0.000 1.000 502 T CA -0.344 61.802 62.100 0.076 0.000 0.958 502 T CB 0.304 69.249 68.868 0.128 0.000 0.944 502 T HN 0.170 nan 8.240 nan 0.000 0.442 503 I N 3.702 124.341 120.570 0.114 0.000 2.297 503 I HA 0.234 4.403 4.170 -0.002 0.000 0.291 503 I C -0.418 175.658 176.117 -0.069 0.000 1.033 503 I CA -0.946 60.404 61.300 0.083 0.000 1.253 503 I CB 0.475 38.585 38.000 0.183 0.000 1.396 503 I HN 0.570 nan 8.210 nan 0.000 0.476 504 Y N 9.205 129.423 120.300 -0.136 0.000 2.480 504 Y HA 0.079 4.627 4.550 -0.002 0.000 0.341 504 Y C 0.177 175.894 175.900 -0.306 0.000 1.031 504 Y CA -1.406 56.573 58.100 -0.202 0.000 1.295 504 Y CB -0.164 38.216 38.460 -0.134 0.000 1.162 504 Y HN 0.476 nan 8.280 nan 0.000 0.523 505 Y N 5.074 124.919 120.300 -0.759 0.000 2.981 505 Y HA 0.189 4.738 4.550 -0.002 0.000 0.359 505 Y C 1.047 176.805 175.900 -0.237 0.000 1.271 505 Y CA 0.443 58.228 58.100 -0.525 0.000 1.617 505 Y CB -0.299 37.917 38.460 -0.406 0.000 1.154 505 Y HN 0.946 nan 8.280 nan 0.000 0.570 506 G N 2.903 111.645 108.800 -0.097 0.000 2.313 506 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.215 506 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.215 506 G C 0.710 175.173 174.900 -0.728 0.000 1.023 506 G CA 0.240 44.920 45.100 -0.700 0.000 0.626 506 G HN 0.595 nan 8.290 nan 0.000 0.503 507 D N 1.516 121.698 120.400 -0.362 0.000 2.218 507 D HA -0.028 4.611 4.640 -0.002 0.000 0.204 507 D C 2.481 178.741 176.300 -0.066 0.000 0.976 507 D CA 1.411 55.312 54.000 -0.164 0.000 0.853 507 D CB -0.098 40.693 40.800 -0.015 0.000 0.939 507 D HN 0.749 nan 8.370 nan 0.000 0.481 508 E N 0.449 120.665 120.200 0.025 0.000 2.338 508 E HA -0.201 4.147 4.350 -0.002 0.000 0.197 508 E C 1.204 177.924 176.600 0.200 0.000 1.007 508 E CA 0.832 57.327 56.400 0.158 0.000 0.849 508 E CB -0.506 29.368 29.700 0.291 0.000 0.774 508 E HN 0.578 nan 8.360 nan 0.000 0.506 509 Y N -1.784 118.567 120.300 0.084 0.000 2.557 509 Y HA 0.614 5.163 4.550 -0.002 0.000 0.247 509 Y C 1.143 177.041 175.900 -0.003 0.000 1.164 509 Y CA -0.702 57.416 58.100 0.029 0.000 1.218 509 Y CB 0.425 38.852 38.460 -0.056 0.000 1.210 509 Y HN 0.021 nan 8.280 nan 0.000 0.529 510 G N 1.263 110.071 108.800 0.013 0.000 2.130 510 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.216 510 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.216 510 G C 0.142 175.012 174.900 -0.050 0.000 0.999 510 G CA 0.022 45.139 45.100 0.027 0.000 0.686 510 G HN 0.551 nan 8.290 nan 0.000 0.515 511 M N 0.738 120.133 119.600 -0.343 0.000 2.261 511 M HA 0.224 4.703 4.480 -0.002 0.000 0.350 511 M C 0.782 176.990 176.300 -0.152 0.000 1.343 511 M CA 0.778 55.898 55.300 -0.301 0.000 1.003 511 M CB 0.240 32.456 32.600 -0.639 0.000 1.848 511 M HN 0.458 nan 8.290 nan 0.000 0.456 512 Q N 2.575 122.325 119.800 -0.082 0.000 2.169 512 Q HA 0.862 5.201 4.340 -0.002 0.000 0.234 512 Q C -0.369 175.596 176.000 -0.059 0.000 0.980 512 Q CA -0.732 55.041 55.803 -0.051 0.000 0.941 512 Q CB 2.009 30.731 28.738 -0.026 0.000 1.199 512 Q HN 0.943 nan 8.270 nan 0.000 0.496 513 G N -0.991 107.792 108.800 -0.028 0.000 2.308 513 G HA2 0.367 4.326 3.960 -0.002 0.000 0.288 513 G HA3 0.367 4.326 3.960 -0.002 0.000 0.288 513 G C -0.683 174.224 174.900 0.011 0.000 1.722 513 G CA -0.471 44.619 45.100 -0.017 0.000 0.924 513 G HN 0.676 nan 8.290 nan 0.000 0.732 514 G N 0.059 108.880 108.800 0.036 0.000 2.666 514 G HA2 0.820 4.779 3.960 -0.002 0.000 0.207 514 G HA3 0.820 4.779 3.960 -0.002 0.000 0.207 514 G C 0.942 175.873 174.900 0.051 0.000 1.481 514 G CA 0.573 45.705 45.100 0.052 0.000 1.071 514 G HN 1.900 nan 8.290 nan 0.000 0.572 515 A N -0.644 122.216 122.820 0.067 0.000 2.406 515 A HA 0.404 4.723 4.320 -0.002 0.000 0.243 515 A C 0.448 178.049 177.584 0.028 0.000 1.082 515 A CA 0.027 52.099 52.037 0.058 0.000 0.786 515 A CB 0.012 19.055 19.000 0.072 0.000 1.029 515 A HN 0.650 nan 8.150 nan 0.000 0.495 516 D N 0.858 121.260 120.400 0.004 0.000 2.648 516 D HA -0.001 4.638 4.640 -0.002 0.000 0.229 516 D C -1.133 175.137 176.300 -0.050 0.000 1.119 516 D CA -0.543 53.433 54.000 -0.040 0.000 0.850 516 D CB 0.683 41.467 40.800 -0.027 0.000 1.169 516 D HN 0.273 nan 8.370 nan 0.000 0.489 517 P HA 0.033 nan 4.420 nan 0.000 0.255 517 P C 0.474 177.597 177.300 -0.295 0.000 1.248 517 P CA 0.042 63.005 63.100 -0.229 0.000 0.807 517 P CB 0.402 31.947 31.700 -0.259 0.000 1.150 518 D N 1.776 122.015 120.400 -0.268 0.000 2.378 518 D HA -0.118 4.521 4.640 -0.002 0.000 0.222 518 D C 1.138 177.370 176.300 -0.113 0.000 0.980 518 D CA 0.721 54.611 54.000 -0.183 0.000 0.907 518 D CB -0.371 40.441 40.800 0.020 0.000 0.899 518 D HN 0.150 nan 8.370 nan 0.000 0.527 519 N N -0.569 118.075 118.700 -0.094 0.000 2.314 519 N HA 0.016 4.754 4.740 -0.002 0.000 0.200 519 N C 0.157 175.636 175.510 -0.053 0.000 1.135 519 N CA 0.007 53.037 53.050 -0.033 0.000 0.835 519 N CB 0.028 38.532 38.487 0.029 0.000 0.989 519 N HN 0.051 nan 8.380 nan 0.000 0.478 520 R N 0.086 120.467 120.500 -0.198 0.000 2.748 520 R HA 0.283 4.622 4.340 -0.002 0.000 0.395 520 R C -0.276 175.841 176.300 -0.305 0.000 1.128 520 R CA -0.531 55.384 56.100 -0.308 0.000 1.042 520 R CB 0.653 30.539 30.300 -0.690 0.000 1.392 520 R HN 0.066 nan 8.270 nan 0.000 0.582 521 R N 1.148 121.482 120.500 -0.278 0.000 2.784 521 R HA 0.060 4.398 4.340 -0.002 0.000 0.266 521 R C 0.500 176.574 176.300 -0.376 0.000 1.044 521 R CA 0.262 56.146 56.100 -0.360 0.000 1.151 521 R CB 0.395 30.542 30.300 -0.255 0.000 1.037 521 R HN 0.167 nan 8.270 nan 0.000 0.478 522 S N 1.151 116.436 115.700 -0.693 0.000 2.576 522 S HA 0.098 4.567 4.470 -0.002 0.000 0.276 522 S C -0.200 174.253 174.600 -0.245 0.000 1.339 522 S CA -0.726 57.007 58.200 -0.778 0.000 1.039 522 S CB 0.504 62.685 63.200 -1.700 0.000 0.902 522 S HN 0.435 nan 8.310 nan 0.000 0.516 523 F N 2.379 122.336 119.950 0.012 0.000 2.467 523 F HA 0.241 4.767 4.527 -0.002 0.000 0.362 523 F C 0.492 176.378 175.800 0.145 0.000 1.090 523 F CA -0.407 57.686 58.000 0.154 0.000 1.202 523 F CB 0.512 39.626 39.000 0.191 0.000 1.113 523 F HN 0.685 nan 8.300 nan 0.000 0.541 524 D N 5.895 126.122 120.400 -0.288 0.000 2.380 524 D HA 0.008 4.646 4.640 -0.002 0.000 0.230 524 D C 0.295 176.320 176.300 -0.458 0.000 1.154 524 D CA -0.231 53.645 54.000 -0.207 0.000 0.859 524 D CB 0.352 40.965 40.800 -0.312 0.000 1.045 524 D HN 0.642 nan 8.370 nan 0.000 0.495 525 W N 2.056 123.408 121.300 0.087 0.000 2.611 525 W HA -0.103 4.556 4.660 -0.001 0.000 0.251 525 W C 2.466 178.916 176.519 -0.115 0.000 1.265 525 W CA 0.611 57.963 57.345 0.012 0.000 1.295 525 W CB -0.018 29.423 29.460 -0.032 0.000 1.129 525 W HN 0.471 nan 8.180 nan 0.000 0.630 526 S N -0.981 114.723 115.700 0.007 0.000 2.496 526 S HA -0.122 4.347 4.470 -0.002 0.000 0.224 526 S C 1.644 176.150 174.600 -0.158 0.000 0.996 526 S CA 0.883 59.061 58.200 -0.037 0.000 0.927 526 S CB -0.094 63.092 63.200 -0.023 0.000 0.774 526 S HN 0.235 nan 8.310 nan 0.000 0.524 527 Q N 1.266 120.837 119.800 -0.381 0.000 2.392 527 Q HA 0.471 4.810 4.340 -0.002 0.000 0.203 527 Q C 0.909 176.620 176.000 -0.481 0.000 0.917 527 Q CA 0.536 56.005 55.803 -0.557 0.000 0.939 527 Q CB -0.039 28.043 28.738 -1.093 0.000 1.063 527 Q HN 0.643 nan 8.270 nan 0.000 0.516 528 A N 0.747 123.363 122.820 -0.339 0.000 3.202 528 A HA 0.440 4.758 4.320 -0.002 0.000 0.258 528 A C -0.134 177.535 177.584 0.141 0.000 1.572 528 A CA 0.220 52.228 52.037 -0.048 0.000 1.241 528 A CB -0.772 18.110 19.000 -0.197 0.000 1.127 528 A HN 0.266 nan 8.150 nan 0.000 0.648 529 T N -4.393 110.233 114.554 0.121 0.000 2.864 529 T HA 0.567 4.916 4.350 -0.002 0.000 0.299 529 T C -2.760 172.012 174.700 0.121 0.000 1.166 529 T CA -1.585 60.602 62.100 0.144 0.000 1.007 529 T CB 1.694 70.609 68.868 0.078 0.000 1.219 529 T HN -0.106 nan 8.240 nan 0.000 0.506 530 P HA 0.047 nan 4.420 nan 0.000 0.229 530 P C 1.297 178.624 177.300 0.045 0.000 1.150 530 P CA 0.643 63.787 63.100 0.072 0.000 0.765 530 P CB -0.039 31.696 31.700 0.057 0.000 0.783 531 S N -1.470 114.254 115.700 0.040 0.000 2.481 531 S HA -0.065 4.404 4.470 -0.002 0.000 0.231 531 S C 1.060 175.673 174.600 0.022 0.000 0.996 531 S CA 0.334 58.547 58.200 0.023 0.000 0.942 531 S CB -0.745 62.464 63.200 0.015 0.000 0.768 531 S HN 0.258 nan 8.310 nan 0.000 0.520 532 N N 1.313 120.034 118.700 0.034 0.000 2.419 532 N HA 0.178 4.917 4.740 -0.002 0.000 0.264 532 N C 0.487 176.033 175.510 0.060 0.000 1.031 532 N CA 0.058 53.138 53.050 0.049 0.000 0.951 532 N CB 1.264 39.785 38.487 0.056 0.000 1.101 532 N HN -0.057 nan 8.380 nan 0.000 0.488 533 S N 3.019 118.745 115.700 0.045 0.000 2.383 533 S HA -0.177 4.292 4.470 -0.002 0.000 0.229 533 S C 1.850 176.430 174.600 -0.033 0.000 1.030 533 S CA 1.553 59.726 58.200 -0.045 0.000 1.002 533 S CB -0.126 62.994 63.200 -0.134 0.000 0.829 533 S HN 0.782 nan 8.310 nan 0.000 0.467 534 A N 1.006 123.925 122.820 0.165 0.000 1.898 534 A HA -0.032 4.287 4.320 -0.002 0.000 0.216 534 A C 2.339 180.015 177.584 0.154 0.000 1.181 534 A CA 1.457 53.631 52.037 0.228 0.000 0.620 534 A CB -0.833 18.352 19.000 0.308 0.000 0.819 534 A HN 0.351 nan 8.150 nan 0.000 0.442 535 V N -0.088 119.928 119.914 0.170 0.000 2.343 535 V HA -0.244 3.875 4.120 -0.002 0.000 0.247 535 V C 3.055 179.214 176.094 0.109 0.000 1.051 535 V CA 1.920 64.329 62.300 0.182 0.000 1.036 535 V CB -1.268 30.693 31.823 0.231 0.000 0.654 535 V HN 0.610 nan 8.190 nan 0.000 0.451 536 A N -0.194 122.665 122.820 0.065 0.000 1.902 536 A HA -0.201 4.117 4.320 -0.002 0.000 0.217 536 A C 2.166 179.753 177.584 0.005 0.000 1.181 536 A CA 2.126 54.179 52.037 0.026 0.000 0.623 536 A CB -0.557 18.441 19.000 -0.004 0.000 0.818 536 A HN 0.456 nan 8.150 nan 0.000 0.443 537 L N -0.389 120.823 121.223 -0.019 0.000 2.093 537 L HA -0.073 4.266 4.340 -0.002 0.000 0.208 537 L C 2.434 179.314 176.870 0.017 0.000 1.085 537 L CA 2.695 57.516 54.840 -0.031 0.000 0.755 537 L CB -1.010 40.995 42.059 -0.090 0.000 0.904 537 L HN 0.356 nan 8.230 nan 0.000 0.435 538 T N -0.685 113.900 114.554 0.053 0.000 2.684 538 T HA -0.281 4.068 4.350 -0.002 0.000 0.267 538 T C 1.731 176.457 174.700 0.044 0.000 1.036 538 T CA 1.830 63.971 62.100 0.068 0.000 1.148 538 T CB -0.231 68.700 68.868 0.105 0.000 0.863 538 T HN 0.518 nan 8.240 nan 0.000 0.436 539 Q N 0.932 120.751 119.800 0.031 0.000 2.061 539 Q HA -0.189 4.150 4.340 -0.002 0.000 0.204 539 Q C 2.381 178.389 176.000 0.013 0.000 0.984 539 Q CA 1.648 57.457 55.803 0.010 0.000 0.846 539 Q CB -0.142 28.602 28.738 0.009 0.000 0.902 539 Q HN 0.437 nan 8.270 nan 0.000 0.421 540 K N 0.158 120.567 120.400 0.015 0.000 2.032 540 K HA -0.163 4.156 4.320 -0.002 0.000 0.209 540 K C 2.191 178.808 176.600 0.028 0.000 1.048 540 K CA 1.431 57.728 56.287 0.016 0.000 0.927 540 K CB -0.173 32.331 32.500 0.007 0.000 0.712 540 K HN 0.287 nan 8.250 nan 0.000 0.441 541 L N 0.755 121.997 121.223 0.031 0.000 2.083 541 L HA -0.181 4.157 4.340 -0.002 0.000 0.209 541 L C 2.395 179.297 176.870 0.053 0.000 1.083 541 L CA 1.034 55.902 54.840 0.046 0.000 0.752 541 L CB -0.304 41.786 42.059 0.050 0.000 0.899 541 L HN 0.249 nan 8.230 nan 0.000 0.433 542 I N -0.788 119.807 120.570 0.041 0.000 2.252 542 I HA -0.247 3.922 4.170 -0.002 0.000 0.245 542 I C 2.468 178.602 176.117 0.028 0.000 1.102 542 I CA 1.317 62.638 61.300 0.036 0.000 1.385 542 I CB -0.430 37.584 38.000 0.023 0.000 1.064 542 I HN 0.225 nan 8.210 nan 0.000 0.414 543 T N 1.191 115.757 114.554 0.020 0.000 2.746 543 T HA -0.111 4.238 4.350 -0.002 0.000 0.267 543 T C 1.912 176.621 174.700 0.016 0.000 1.039 543 T CA 1.335 63.439 62.100 0.007 0.000 1.142 543 T CB -0.209 68.660 68.868 0.002 0.000 0.866 543 T HN 0.234 nan 8.240 nan 0.000 0.444 544 I N 0.480 121.086 120.570 0.059 0.000 2.179 544 I HA -0.151 4.018 4.170 -0.002 0.000 0.242 544 I C 2.826 179.045 176.117 0.171 0.000 1.088 544 I CA 1.233 62.615 61.300 0.136 0.000 1.357 544 I CB -0.337 37.760 38.000 0.161 0.000 1.051 544 I HN 0.107 nan 8.210 nan 0.000 0.409 545 R N 1.224 121.795 120.500 0.118 0.000 2.081 545 R HA -0.172 4.167 4.340 -0.002 0.000 0.235 545 R C 1.890 178.232 176.300 0.071 0.000 1.131 545 R CA 1.966 58.132 56.100 0.110 0.000 0.960 545 R CB -0.274 30.068 30.300 0.070 0.000 0.856 545 R HN 0.442 nan 8.270 nan 0.000 0.436 546 N N -0.171 118.545 118.700 0.028 0.000 2.453 546 N HA -0.181 4.558 4.740 -0.002 0.000 0.183 546 N C 1.690 177.164 175.510 -0.061 0.000 1.041 546 N CA 0.652 53.700 53.050 -0.004 0.000 0.900 546 N CB 0.092 38.576 38.487 -0.005 0.000 0.961 546 N HN 0.362 nan 8.380 nan 0.000 0.443 547 Q N 0.009 119.729 119.800 -0.133 0.000 2.269 547 Q HA -0.037 4.301 4.340 -0.002 0.000 0.201 547 Q C -0.562 175.145 176.000 -0.489 0.000 0.946 547 Q CA 0.724 56.306 55.803 -0.367 0.000 0.877 547 Q CB 0.362 28.754 28.738 -0.577 0.000 0.963 547 Q HN 0.367 nan 8.270 nan 0.000 0.472 548 Y N -0.372 119.935 120.300 0.011 0.000 2.376 548 Y HA 0.338 4.887 4.550 -0.002 0.000 0.326 548 Y C -2.001 173.901 175.900 0.004 0.000 0.970 548 Y CA -2.648 55.459 58.100 0.011 0.000 1.248 548 Y CB 1.746 40.218 38.460 0.019 0.000 1.117 548 Y HN 0.094 nan 8.280 nan 0.000 0.476 549 P HA -0.240 nan 4.420 nan 0.000 0.218 549 P C 1.418 178.752 177.300 0.057 0.000 1.148 549 P CA 1.952 65.087 63.100 0.059 0.000 0.822 549 P CB 0.344 32.062 31.700 0.030 0.000 0.784 550 A N -0.711 122.163 122.820 0.090 0.000 2.024 550 A HA -0.177 4.142 4.320 -0.002 0.000 0.220 550 A C 2.060 179.671 177.584 0.047 0.000 1.164 550 A CA 1.404 53.472 52.037 0.050 0.000 0.643 550 A CB -1.575 17.465 19.000 0.067 0.000 0.806 550 A HN 0.180 nan 8.150 nan 0.000 0.451 551 L N -2.068 119.203 121.223 0.081 0.000 2.313 551 L HA -0.044 4.294 4.340 -0.002 0.000 0.214 551 L C 2.655 179.539 176.870 0.023 0.000 1.119 551 L CA 0.879 55.761 54.840 0.071 0.000 0.809 551 L CB -0.183 41.939 42.059 0.105 0.000 0.933 551 L HN 0.286 nan 8.230 nan 0.000 0.449 552 R N -0.822 119.682 120.500 0.007 0.000 2.123 552 R HA 0.030 4.369 4.340 -0.002 0.000 0.209 552 R C 1.603 177.862 176.300 -0.067 0.000 1.078 552 R CA 1.364 57.441 56.100 -0.038 0.000 1.028 552 R CB 0.016 30.298 30.300 -0.030 0.000 0.939 552 R HN 0.271 nan 8.270 nan 0.000 0.463 553 T N -3.269 111.254 114.554 -0.052 0.000 3.209 553 T HA 0.342 4.691 4.350 -0.002 0.000 0.295 553 T C 0.731 175.392 174.700 -0.066 0.000 0.977 553 T CA -0.268 61.791 62.100 -0.068 0.000 0.922 553 T CB 0.797 69.624 68.868 -0.068 0.000 1.152 553 T HN 0.163 nan 8.240 nan 0.000 0.527 554 G N 1.116 109.882 108.800 -0.058 0.000 2.580 554 G HA2 0.509 4.468 3.960 -0.002 0.000 0.278 554 G HA3 0.509 4.468 3.960 -0.002 0.000 0.278 554 G C -0.167 174.658 174.900 -0.126 0.000 1.212 554 G CA -0.539 44.499 45.100 -0.103 0.000 0.939 554 G HN 0.333 nan 8.290 nan 0.000 0.513 555 S N -1.220 114.296 115.700 -0.307 0.000 2.589 555 S HA 0.379 4.848 4.470 -0.002 0.000 0.265 555 S C -0.799 173.775 174.600 -0.043 0.000 1.342 555 S CA 0.106 58.155 58.200 -0.251 0.000 1.005 555 S CB 0.712 63.533 63.200 -0.633 0.000 0.909 555 S HN 0.435 nan 8.310 nan 0.000 0.555 556 F N 2.095 122.089 119.950 0.073 0.000 2.518 556 F HA 0.644 5.170 4.527 -0.002 0.000 0.323 556 F C -0.609 175.375 175.800 0.307 0.000 1.129 556 F CA -0.716 57.384 58.000 0.166 0.000 0.920 556 F CB 1.114 40.158 39.000 0.074 0.000 1.160 556 F HN 0.446 nan 8.300 nan 0.000 0.440 557 M N 6.018 125.507 119.600 -0.185 0.000 2.267 557 M HA 0.355 4.834 4.480 -0.002 0.000 0.289 557 M C -1.256 174.905 176.300 -0.233 0.000 1.043 557 M CA -0.275 54.979 55.300 -0.077 0.000 0.928 557 M CB 1.898 34.288 32.600 -0.350 0.000 1.613 557 M HN 0.629 nan 8.290 nan 0.000 0.450 558 T N 5.515 120.095 114.554 0.043 0.000 2.870 558 T HA 0.280 4.629 4.350 -0.002 0.000 0.300 558 T C 1.028 175.725 174.700 -0.005 0.000 0.989 558 T CA -0.062 62.090 62.100 0.087 0.000 1.139 558 T CB 0.616 69.665 68.868 0.302 0.000 0.920 558 T HN 0.667 nan 8.240 nan 0.000 0.537 559 L N 2.704 123.896 121.223 -0.052 0.000 2.547 559 L HA 0.480 4.819 4.340 -0.002 0.000 0.218 559 L C 0.276 177.144 176.870 -0.003 0.000 1.048 559 L CA 0.411 55.194 54.840 -0.096 0.000 0.859 559 L CB 0.333 42.276 42.059 -0.193 0.000 1.128 559 L HN 0.502 nan 8.230 nan 0.000 0.483 560 I N -0.138 120.472 120.570 0.067 0.000 2.644 560 I HA 0.211 4.380 4.170 -0.002 0.000 0.291 560 I C -0.879 175.401 176.117 0.273 0.000 1.180 560 I CA -0.282 61.098 61.300 0.133 0.000 1.040 560 I CB 2.430 40.486 38.000 0.093 0.000 1.255 560 I HN -0.082 nan 8.210 nan 0.000 0.422 561 T N -0.359 114.339 114.554 0.241 0.000 3.209 561 T HA 0.270 4.619 4.350 -0.002 0.000 0.366 561 T C -0.914 173.891 174.700 0.175 0.000 1.293 561 T CA -0.665 61.589 62.100 0.256 0.000 1.417 561 T CB 0.542 69.533 68.868 0.205 0.000 1.013 561 T HN 0.425 nan 8.240 nan 0.000 0.572 562 D N 1.957 122.460 120.400 0.172 0.000 2.443 562 D HA 0.256 4.895 4.640 -0.002 0.000 0.221 562 D C 0.290 176.653 176.300 0.105 0.000 1.097 562 D CA -0.519 53.547 54.000 0.109 0.000 0.865 562 D CB 1.110 41.950 40.800 0.067 0.000 1.034 562 D HN 0.294 nan 8.370 nan 0.000 0.511 563 D N 1.952 122.407 120.400 0.092 0.000 2.317 563 D HA -0.069 4.570 4.640 -0.002 0.000 0.211 563 D C 1.467 177.799 176.300 0.053 0.000 0.966 563 D CA 0.718 54.772 54.000 0.088 0.000 0.876 563 D CB 0.418 41.267 40.800 0.082 0.000 0.927 563 D HN 0.402 nan 8.370 nan 0.000 0.519 564 T N 0.754 115.325 114.554 0.028 0.000 2.732 564 T HA -0.045 4.304 4.350 -0.002 0.000 0.261 564 T C 1.438 176.121 174.700 -0.030 0.000 1.040 564 T CA 0.734 62.837 62.100 0.005 0.000 1.145 564 T CB 0.048 68.915 68.868 -0.003 0.000 0.866 564 T HN 0.120 nan 8.240 nan 0.000 0.427 565 N N 0.791 119.424 118.700 -0.111 0.000 2.280 565 N HA 0.109 4.848 4.740 -0.002 0.000 0.192 565 N C -0.222 175.208 175.510 -0.134 0.000 1.109 565 N CA 0.124 52.978 53.050 -0.326 0.000 0.855 565 N CB 0.291 38.310 38.487 -0.779 0.000 0.974 565 N HN 0.436 nan 8.380 nan 0.000 0.482 566 K N 0.736 121.142 120.400 0.010 0.000 3.150 566 K HA -0.136 4.182 4.320 -0.002 0.000 0.267 566 K C -0.753 175.966 176.600 0.197 0.000 1.028 566 K CA 0.533 56.887 56.287 0.112 0.000 0.753 566 K CB -1.167 31.359 32.500 0.042 0.000 1.288 566 K HN 0.160 nan 8.250 nan 0.000 0.473 567 I N 1.061 121.744 120.570 0.189 0.000 2.354 567 I HA 0.249 4.418 4.170 -0.002 0.000 0.292 567 I C 0.003 176.357 176.117 0.396 0.000 0.989 567 I CA -0.399 61.052 61.300 0.252 0.000 1.188 567 I CB 0.902 38.975 38.000 0.122 0.000 1.342 567 I HN 0.121 nan 8.210 nan 0.000 0.457 568 Y N 4.951 125.441 120.300 0.315 0.000 2.331 568 Y HA 0.487 5.036 4.550 -0.002 0.000 0.334 568 Y C -0.314 175.724 175.900 0.229 0.000 0.960 568 Y CA -0.380 57.894 58.100 0.290 0.000 1.130 568 Y CB 1.659 40.309 38.460 0.316 0.000 1.164 568 Y HN 0.610 nan 8.280 nan 0.000 0.458 569 S N 6.000 121.666 115.700 -0.057 0.000 2.538 569 S HA 0.693 5.162 4.470 -0.002 0.000 0.288 569 S C -1.775 172.608 174.600 -0.361 0.000 1.108 569 S CA -0.362 57.672 58.200 -0.277 0.000 0.971 569 S CB 0.840 63.953 63.200 -0.146 0.000 1.041 569 S HN 0.698 nan 8.310 nan 0.000 0.483 570 Y N 0.285 120.327 120.300 -0.430 0.000 2.597 570 Y HA 0.838 5.387 4.550 -0.002 0.000 0.340 570 Y C -0.118 175.528 175.900 -0.424 0.000 1.097 570 Y CA -1.174 56.610 58.100 -0.527 0.000 1.037 570 Y CB 0.711 38.685 38.460 -0.810 0.000 1.305 570 Y HN 0.726 nan 8.280 nan 0.000 0.463 571 G N 1.750 110.382 108.800 -0.280 0.000 2.420 571 G HA2 0.695 4.653 3.960 -0.002 0.000 0.331 571 G HA3 0.695 4.653 3.960 -0.002 0.000 0.331 571 G C -1.278 173.648 174.900 0.044 0.000 1.168 571 G CA -1.261 43.736 45.100 -0.173 0.000 0.936 571 G HN 0.465 nan 8.290 nan 0.000 0.479 572 R N 0.618 121.201 120.500 0.138 0.000 2.439 572 R HA 0.567 4.906 4.340 -0.002 0.000 0.310 572 R C -1.135 175.330 176.300 0.275 0.000 0.955 572 R CA -0.761 55.450 56.100 0.185 0.000 0.853 572 R CB 1.080 31.452 30.300 0.121 0.000 1.171 572 R HN 0.668 nan 8.270 nan 0.000 0.449 573 F N -0.641 119.290 119.950 -0.032 0.000 2.693 573 F HA 0.678 5.203 4.527 -0.002 0.000 0.309 573 F C -0.919 174.881 175.800 -0.001 0.000 1.129 573 F CA -1.120 56.860 58.000 -0.034 0.000 0.948 573 F CB 1.777 40.737 39.000 -0.067 0.000 1.315 573 F HN 0.419 nan 8.300 nan 0.000 0.447 574 D N -0.901 119.526 120.400 0.045 0.000 3.009 574 D HA 0.248 4.886 4.640 -0.002 0.000 0.318 574 D C -0.476 175.823 176.300 -0.001 0.000 1.273 574 D CA -0.740 53.226 54.000 -0.057 0.000 1.001 574 D CB 0.353 41.117 40.800 -0.059 0.000 1.411 574 D HN 0.600 nan 8.370 nan 0.000 0.577 575 N N -1.187 117.482 118.700 -0.052 0.000 2.272 575 N HA -0.077 4.662 4.740 -0.002 0.000 0.185 575 N C 1.377 176.885 175.510 -0.003 0.000 1.014 575 N CA 1.214 54.234 53.050 -0.048 0.000 0.870 575 N CB 0.208 38.653 38.487 -0.071 0.000 0.975 575 N HN 0.160 nan 8.380 nan 0.000 0.433 576 V N -0.225 119.701 119.914 0.021 0.000 2.599 576 V HA 0.072 4.191 4.120 -0.002 0.000 0.237 576 V C 0.271 176.409 176.094 0.072 0.000 1.081 576 V CA 0.780 63.106 62.300 0.044 0.000 1.107 576 V CB -0.168 31.683 31.823 0.048 0.000 0.808 576 V HN 0.175 nan 8.190 nan 0.000 0.486 577 N N -0.140 118.616 118.700 0.093 0.000 2.443 577 N HA 0.667 5.406 4.740 -0.002 0.000 0.293 577 N C -0.684 174.871 175.510 0.076 0.000 1.159 577 N CA -0.602 52.502 53.050 0.090 0.000 0.904 577 N CB 1.361 39.930 38.487 0.136 0.000 1.214 577 N HN 0.167 nan 8.380 nan 0.000 0.513 578 R N 1.029 121.539 120.500 0.017 0.000 2.502 578 R HA 0.540 4.879 4.340 -0.002 0.000 0.300 578 R C -1.128 175.117 176.300 -0.092 0.000 0.984 578 R CA -0.428 55.673 56.100 0.002 0.000 0.882 578 R CB 1.293 31.569 30.300 -0.040 0.000 1.180 578 R HN 0.480 nan 8.270 nan 0.000 0.444 579 I N 1.939 122.451 120.570 -0.096 0.000 2.466 579 I HA 0.493 4.661 4.170 -0.002 0.000 0.289 579 I C -0.371 175.645 176.117 -0.168 0.000 1.026 579 I CA -0.887 60.312 61.300 -0.168 0.000 1.078 579 I CB 2.227 40.097 38.000 -0.217 0.000 1.249 579 I HN 0.593 nan 8.210 nan 0.000 0.429 580 A N 6.655 129.358 122.820 -0.195 0.000 2.258 580 A HA 0.709 5.028 4.320 -0.002 0.000 0.316 580 A C -0.540 176.876 177.584 -0.280 0.000 1.279 580 A CA -0.491 51.399 52.037 -0.245 0.000 0.876 580 A CB 0.807 19.679 19.000 -0.214 0.000 1.170 580 A HN 0.453 nan 8.150 nan 0.000 0.520 581 V N 3.362 123.007 119.914 -0.448 0.000 2.465 581 V HA 0.376 4.495 4.120 -0.002 0.000 0.279 581 V C -0.147 175.676 176.094 -0.451 0.000 1.045 581 V CA -0.313 61.691 62.300 -0.493 0.000 0.938 581 V CB 1.401 32.733 31.823 -0.818 0.000 0.986 581 V HN 0.585 nan 8.190 nan 0.000 0.467 582 V N 6.816 126.600 119.914 -0.218 0.000 2.376 582 V HA 0.476 4.595 4.120 -0.002 0.000 0.287 582 V C -0.299 175.818 176.094 0.038 0.000 1.015 582 V CA -0.418 61.826 62.300 -0.094 0.000 0.834 582 V CB 1.399 33.190 31.823 -0.055 0.000 1.001 582 V HN 0.628 nan 8.190 nan 0.000 0.428 583 L N 4.095 125.410 121.223 0.154 0.000 2.329 583 L HA 0.624 4.963 4.340 -0.002 0.000 0.279 583 L C -0.171 176.897 176.870 0.331 0.000 1.014 583 L CA -0.514 54.511 54.840 0.309 0.000 0.814 583 L CB 1.875 44.266 42.059 0.554 0.000 1.257 583 L HN 0.514 nan 8.230 nan 0.000 0.424 584 N N 2.403 121.261 118.700 0.264 0.000 2.511 584 N HA 0.128 4.866 4.740 -0.002 0.000 0.249 584 N C -0.249 175.304 175.510 0.071 0.000 0.971 584 N CA -0.073 53.098 53.050 0.202 0.000 0.938 584 N CB 0.955 39.563 38.487 0.202 0.000 1.131 584 N HN 0.641 nan 8.380 nan 0.000 0.505 585 N N 2.420 121.094 118.700 -0.042 0.000 2.268 585 N HA -0.037 4.701 4.740 -0.002 0.000 0.204 585 N C -0.543 174.731 175.510 -0.392 0.000 1.124 585 N CA -0.241 52.605 53.050 -0.341 0.000 0.838 585 N CB 0.355 38.340 38.487 -0.837 0.000 0.994 585 N HN 0.525 nan 8.380 nan 0.000 0.489 586 D N -0.509 119.723 120.400 -0.280 0.000 2.432 586 D HA 0.102 4.741 4.640 -0.002 0.000 0.258 586 D C 0.966 176.937 176.300 -0.547 0.000 1.146 586 D CA -0.205 53.638 54.000 -0.261 0.000 1.015 586 D CB 1.548 42.381 40.800 0.056 0.000 1.107 586 D HN 0.142 nan 8.370 nan 0.000 0.529 587 S N -1.017 114.470 115.700 -0.355 0.000 2.575 587 S HA 0.224 4.693 4.470 -0.002 0.000 0.215 587 S C 0.608 175.046 174.600 -0.269 0.000 0.966 587 S CA -0.159 57.852 58.200 -0.314 0.000 0.911 587 S CB -0.576 62.538 63.200 -0.143 0.000 0.780 587 S HN 0.362 nan 8.310 nan 0.000 0.514 588 V N -1.936 117.806 119.914 -0.288 0.000 3.040 588 V HA 0.773 4.892 4.120 -0.002 0.000 0.312 588 V C 0.027 175.863 176.094 -0.430 0.000 1.115 588 V CA -0.962 61.145 62.300 -0.321 0.000 0.998 588 V CB 1.262 32.907 31.823 -0.297 0.000 1.042 588 V HN 0.150 nan 8.190 nan 0.000 0.433 589 S N 0.959 116.457 115.700 -0.337 0.000 2.579 589 S HA 0.452 4.921 4.470 -0.002 0.000 0.275 589 S C -0.487 173.869 174.600 -0.406 0.000 1.345 589 S CA 0.258 58.307 58.200 -0.250 0.000 1.031 589 S CB -0.218 62.912 63.200 -0.115 0.000 0.892 589 S HN 1.010 nan 8.310 nan 0.000 0.529 590 H N 0.155 119.237 119.070 0.020 0.000 2.947 590 H HA 0.311 4.866 4.556 -0.002 0.000 0.354 590 H C -0.862 174.486 175.328 0.033 0.000 1.085 590 H CA -0.752 55.310 56.048 0.024 0.000 1.253 590 H CB 1.811 31.589 29.762 0.028 0.000 1.757 590 H HN 0.515 nan 8.280 nan 0.000 0.523 591 T N 3.404 118.056 114.554 0.164 0.000 2.743 591 T HA 0.350 4.699 4.350 -0.002 0.000 0.293 591 T C -0.239 174.509 174.700 0.079 0.000 0.945 591 T CA -0.572 61.584 62.100 0.094 0.000 1.030 591 T CB 0.424 69.333 68.868 0.070 0.000 0.912 591 T HN 0.153 nan 8.240 nan 0.000 0.483 592 V N 4.520 124.463 119.914 0.048 0.000 2.555 592 V HA 0.403 4.522 4.120 -0.002 0.000 0.302 592 V C -0.034 176.063 176.094 0.005 0.000 1.038 592 V CA -1.194 61.123 62.300 0.029 0.000 0.887 592 V CB 1.781 33.621 31.823 0.029 0.000 0.991 592 V HN 0.749 nan 8.190 nan 0.000 0.434 593 N N 3.058 121.770 118.700 0.020 0.000 2.462 593 N HA 0.307 5.045 4.740 -0.002 0.000 0.242 593 N C -0.547 174.977 175.510 0.023 0.000 1.010 593 N CA -0.150 52.915 53.050 0.025 0.000 0.939 593 N CB 1.745 40.262 38.487 0.049 0.000 1.127 593 N HN 0.438 nan 8.380 nan 0.000 0.509 594 V N 4.481 124.390 119.914 -0.008 0.000 2.432 594 V HA 0.193 4.311 4.120 -0.002 0.000 0.271 594 V C -1.596 174.490 176.094 -0.014 0.000 1.046 594 V CA -1.287 60.992 62.300 -0.035 0.000 0.945 594 V CB 1.193 32.965 31.823 -0.084 0.000 0.992 594 V HN 0.462 nan 8.190 nan 0.000 0.471 595 P HA 0.066 nan 4.420 nan 0.000 0.226 595 P C 0.970 178.055 177.300 -0.359 0.000 1.783 595 P CA 0.005 63.036 63.100 -0.115 0.000 0.980 595 P CB 0.469 32.065 31.700 -0.173 0.000 1.967 596 V N -1.314 118.516 119.914 -0.140 0.000 2.867 596 V HA -0.160 3.958 4.120 -0.002 0.000 0.260 596 V C 2.105 178.134 176.094 -0.109 0.000 1.099 596 V CA 0.680 62.888 62.300 -0.154 0.000 1.122 596 V CB -1.720 30.069 31.823 -0.057 0.000 0.708 596 V HN 0.410 nan 8.190 nan 0.000 0.490 597 W N 0.290 121.601 121.300 0.018 0.000 2.392 597 W HA -0.111 4.548 4.660 -0.002 0.000 0.279 597 W C 1.776 178.390 176.519 0.158 0.000 1.225 597 W CA 0.979 58.370 57.345 0.075 0.000 1.233 597 W CB -1.104 28.401 29.460 0.075 0.000 1.122 597 W HN 0.294 nan 8.180 nan 0.000 0.561 598 Q N 1.180 120.560 119.800 -0.700 0.000 2.291 598 Q HA -0.040 4.299 4.340 -0.002 0.000 0.206 598 Q C 2.167 177.866 176.000 -0.501 0.000 0.976 598 Q CA 1.168 56.580 55.803 -0.652 0.000 0.875 598 Q CB -0.279 27.906 28.738 -0.922 0.000 0.927 598 Q HN 0.517 nan 8.270 nan 0.000 0.450 599 L N -0.449 120.493 121.223 -0.469 0.000 2.628 599 L HA 0.132 4.470 4.340 -0.002 0.000 0.229 599 L C 0.360 177.037 176.870 -0.321 0.000 1.137 599 L CA -0.121 54.331 54.840 -0.647 0.000 0.909 599 L CB 0.233 41.922 42.059 -0.617 0.000 1.137 599 L HN -0.067 nan 8.230 nan 0.000 0.470 600 S N 0.333 116.006 115.700 -0.047 0.000 3.672 600 S HA -0.166 4.302 4.470 -0.002 0.000 0.319 600 S C 0.469 175.117 174.600 0.080 0.000 1.151 600 S CA 0.561 58.838 58.200 0.128 0.000 0.911 600 S CB -1.245 62.040 63.200 0.142 0.000 0.939 600 S HN 0.402 nan 8.310 nan 0.000 0.524 601 M N 1.642 121.268 119.600 0.044 0.000 2.184 601 M HA 0.181 4.660 4.480 -0.002 0.000 0.351 601 M C -2.250 174.101 176.300 0.086 0.000 1.395 601 M CA -1.340 53.985 55.300 0.042 0.000 1.117 601 M CB 0.125 32.732 32.600 0.013 0.000 1.708 601 M HN -0.083 nan 8.290 nan 0.000 0.468 602 P HA 0.036 nan 4.420 nan 0.000 0.268 602 P C -0.860 176.484 177.300 0.072 0.000 1.205 602 P CA 0.065 63.212 63.100 0.080 0.000 0.771 602 P CB 0.354 32.093 31.700 0.066 0.000 0.858 603 N N 1.285 120.026 118.700 0.068 0.000 2.458 603 N HA 0.236 4.975 4.740 -0.002 0.000 0.258 603 N C 1.308 176.847 175.510 0.048 0.000 1.219 603 N CA 0.989 54.074 53.050 0.058 0.000 0.902 603 N CB 0.027 38.540 38.487 0.043 0.000 1.076 603 N HN 0.715 nan 8.380 nan 0.000 0.455 604 G N 0.418 109.247 108.800 0.048 0.000 2.241 604 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.244 604 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.244 604 G C 0.262 175.190 174.900 0.045 0.000 0.998 604 G CA 0.354 45.479 45.100 0.042 0.000 0.621 604 G HN 0.734 nan 8.290 nan 0.000 0.519 605 S N 0.202 115.932 115.700 0.051 0.000 2.624 605 S HA 0.709 5.178 4.470 -0.002 0.000 0.263 605 S C 0.314 174.949 174.600 0.057 0.000 1.287 605 S CA 0.793 59.023 58.200 0.050 0.000 0.990 605 S CB 1.669 64.899 63.200 0.050 0.000 0.950 605 S HN 1.634 nan 8.310 nan 0.000 0.561 606 T N -1.708 112.880 114.554 0.057 0.000 2.932 606 T HA 0.741 5.090 4.350 -0.002 0.000 0.289 606 T C -0.149 174.595 174.700 0.074 0.000 1.039 606 T CA -0.533 61.608 62.100 0.069 0.000 1.024 606 T CB 0.938 69.840 68.868 0.056 0.000 1.090 606 T HN 1.574 nan 8.240 nan 0.000 0.496 607 V N -1.440 118.535 119.914 0.103 0.000 2.962 607 V HA 0.893 5.012 4.120 -0.002 0.000 0.313 607 V C -0.637 175.544 176.094 0.145 0.000 1.099 607 V CA -0.804 61.557 62.300 0.102 0.000 0.971 607 V CB 1.802 33.679 31.823 0.090 0.000 1.028 607 V HN 1.071 nan 8.190 nan 0.000 0.430 608 T N 2.189 116.816 114.554 0.120 0.000 2.812 608 T HA 0.384 4.732 4.350 -0.002 0.000 0.282 608 T C -0.937 173.852 174.700 0.148 0.000 0.990 608 T CA -0.074 62.107 62.100 0.135 0.000 0.960 608 T CB 1.224 70.151 68.868 0.099 0.000 0.948 608 T HN 1.000 nan 8.240 nan 0.000 0.438 609 D N 2.942 123.476 120.400 0.223 0.000 2.374 609 D HA 0.114 4.753 4.640 -0.002 0.000 0.240 609 D C 1.069 177.435 176.300 0.109 0.000 1.229 609 D CA -0.405 53.706 54.000 0.185 0.000 0.895 609 D CB 0.691 41.676 40.800 0.309 0.000 1.046 609 D HN 0.180 nan 8.370 nan 0.000 0.498 610 K N 3.744 124.189 120.400 0.076 0.000 2.442 610 K HA -0.058 4.261 4.320 -0.002 0.000 0.198 610 K C 1.453 178.078 176.600 0.042 0.000 1.044 610 K CA 0.372 56.701 56.287 0.070 0.000 0.948 610 K CB 0.302 32.862 32.500 0.099 0.000 0.762 610 K HN 0.552 nan 8.250 nan 0.000 0.472 611 I N 0.807 121.397 120.570 0.034 0.000 2.406 611 I HA -0.139 4.030 4.170 -0.002 0.000 0.249 611 I C 2.127 178.264 176.117 0.034 0.000 1.122 611 I CA 1.591 62.901 61.300 0.017 0.000 1.431 611 I CB -1.219 36.771 38.000 -0.017 0.000 1.087 611 I HN 0.205 nan 8.210 nan 0.000 0.424 612 T N -3.242 111.321 114.554 0.015 0.000 2.969 612 T HA 0.361 4.710 4.350 -0.002 0.000 0.250 612 T C 1.582 176.137 174.700 -0.241 0.000 1.021 612 T CA 0.717 62.747 62.100 -0.116 0.000 1.003 612 T CB 0.843 69.607 68.868 -0.174 0.000 1.040 612 T HN 0.386 nan 8.240 nan 0.000 0.492 613 G N 1.082 109.819 108.800 -0.106 0.000 2.195 613 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.246 613 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.246 613 G C -0.047 174.838 174.900 -0.025 0.000 0.984 613 G CA 0.048 45.108 45.100 -0.067 0.000 0.633 613 G HN 0.793 nan 8.290 nan 0.000 0.525 614 H N 0.832 119.914 119.070 0.019 0.000 2.732 614 H HA 0.521 5.075 4.556 -0.002 0.000 0.351 614 H C 0.513 175.701 175.328 -0.232 0.000 1.090 614 H CA 0.629 56.605 56.048 -0.119 0.000 1.431 614 H CB 1.259 30.947 29.762 -0.123 0.000 1.447 614 H HN 0.202 nan 8.280 nan 0.000 0.582 615 S N 2.166 117.716 115.700 -0.250 0.000 2.593 615 S HA 0.462 4.931 4.470 -0.002 0.000 0.297 615 S C -1.420 172.830 174.600 -0.583 0.000 1.112 615 S CA -0.554 57.500 58.200 -0.243 0.000 1.043 615 S CB 0.449 63.595 63.200 -0.090 0.000 1.054 615 S HN 0.478 nan 8.310 nan 0.000 0.516 616 Y N 0.163 120.496 120.300 0.054 0.000 2.588 616 Y HA 0.452 5.000 4.550 -0.002 0.000 0.343 616 Y C 0.231 176.152 175.900 0.034 0.000 1.065 616 Y CA -0.866 57.258 58.100 0.040 0.000 1.038 616 Y CB 2.054 40.539 38.460 0.042 0.000 1.297 616 Y HN 0.460 nan 8.280 nan 0.000 0.467 617 T N 1.723 116.393 114.554 0.193 0.000 2.823 617 T HA 0.440 4.789 4.350 -0.002 0.000 0.279 617 T C -0.751 174.016 174.700 0.111 0.000 0.998 617 T CA -0.694 61.477 62.100 0.118 0.000 0.994 617 T CB 1.219 70.134 68.868 0.079 0.000 0.960 617 T HN 0.327 nan 8.240 nan 0.000 0.448 618 V N 4.687 124.654 119.914 0.088 0.000 2.439 618 V HA 0.206 4.325 4.120 -0.002 0.000 0.271 618 V C 0.145 176.281 176.094 0.071 0.000 1.040 618 V CA 0.079 62.426 62.300 0.079 0.000 1.002 618 V CB 0.234 32.102 31.823 0.075 0.000 1.000 618 V HN 0.802 nan 8.190 nan 0.000 0.477 619 Q N 4.363 124.205 119.800 0.070 0.000 2.304 619 Q HA 0.427 4.766 4.340 -0.002 0.000 0.270 619 Q C -0.119 175.912 176.000 0.052 0.000 1.035 619 Q CA -0.833 55.002 55.803 0.055 0.000 0.781 619 Q CB 1.624 30.392 28.738 0.050 0.000 1.261 619 Q HN 0.750 nan 8.270 nan 0.000 0.444 620 N N 1.272 119.992 118.700 0.033 0.000 2.740 620 N HA -0.229 4.510 4.740 -0.002 0.000 0.248 620 N C 0.569 176.100 175.510 0.035 0.000 1.062 620 N CA 1.292 54.348 53.050 0.010 0.000 0.704 620 N CB -1.105 37.382 38.487 0.001 0.000 0.968 620 N HN 1.185 nan 8.380 nan 0.000 0.547 621 G N -1.864 106.989 108.800 0.089 0.000 2.175 621 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.265 621 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.265 621 G C 0.147 175.231 174.900 0.306 0.000 0.979 621 G CA 1.162 46.397 45.100 0.224 0.000 0.663 621 G HN 0.396 nan 8.290 nan 0.000 0.533 622 M N -0.694 119.010 119.600 0.174 0.000 2.716 622 M HA 0.767 5.246 4.480 -0.002 0.000 0.307 622 M C -0.328 176.016 176.300 0.074 0.000 1.223 622 M CA -1.214 54.168 55.300 0.137 0.000 0.871 622 M CB 1.951 34.621 32.600 0.116 0.000 1.739 622 M HN 0.056 nan 8.290 nan 0.000 0.475 623 V N 0.872 120.804 119.914 0.030 0.000 2.524 623 V HA 0.383 4.502 4.120 -0.002 0.000 0.297 623 V C -0.547 175.505 176.094 -0.070 0.000 1.035 623 V CA -0.574 61.717 62.300 -0.016 0.000 0.867 623 V CB 2.063 33.857 31.823 -0.049 0.000 1.004 623 V HN 0.923 nan 8.190 nan 0.000 0.426 624 T N 4.610 119.124 114.554 -0.066 0.000 2.744 624 T HA 0.594 4.943 4.350 -0.002 0.000 0.291 624 T C -0.508 174.070 174.700 -0.205 0.000 0.957 624 T CA -0.206 61.849 62.100 -0.075 0.000 1.002 624 T CB 1.469 70.337 68.868 -0.000 0.000 0.919 624 T HN 0.502 nan 8.240 nan 0.000 0.468 625 V N 2.579 122.374 119.914 -0.199 0.000 2.808 625 V HA 0.815 4.934 4.120 -0.002 0.000 0.308 625 V C -1.009 175.055 176.094 -0.050 0.000 1.099 625 V CA -0.912 61.233 62.300 -0.259 0.000 0.920 625 V CB 1.822 33.394 31.823 -0.420 0.000 1.014 625 V HN 1.038 nan 8.190 nan 0.000 0.425 626 A N 5.834 128.672 122.820 0.030 0.000 2.289 626 A HA 0.794 5.113 4.320 -0.002 0.000 0.298 626 A C -0.788 176.872 177.584 0.126 0.000 1.208 626 A CA -0.384 51.704 52.037 0.084 0.000 0.845 626 A CB 1.036 20.093 19.000 0.095 0.000 1.125 626 A HN 1.138 nan 8.150 nan 0.000 0.517 627 V N 3.686 123.684 119.914 0.139 0.000 2.487 627 V HA 0.244 4.362 4.120 -0.002 0.000 0.298 627 V C -0.371 175.834 176.094 0.185 0.000 1.028 627 V CA -0.984 61.435 62.300 0.198 0.000 0.860 627 V CB 1.680 33.621 31.823 0.196 0.000 0.991 627 V HN 0.924 nan 8.190 nan 0.000 0.427 628 D N 2.692 123.234 120.400 0.236 0.000 2.378 628 D HA 0.195 4.834 4.640 -0.002 0.000 0.238 628 D C 0.690 177.072 176.300 0.135 0.000 1.180 628 D CA 0.492 54.573 54.000 0.135 0.000 0.895 628 D CB 1.294 42.185 40.800 0.152 0.000 1.192 628 D HN 0.752 nan 8.370 nan 0.000 0.438 629 G N -0.415 108.344 108.800 -0.067 0.000 2.432 629 G HA2 0.014 3.973 3.960 -0.002 0.000 0.239 629 G HA3 0.014 3.973 3.960 -0.002 0.000 0.239 629 G C -0.193 174.747 174.900 0.066 0.000 1.291 629 G CA 0.073 45.089 45.100 -0.139 0.000 0.863 629 G HN 0.792 nan 8.290 nan 0.000 0.560 630 H N -1.063 118.103 119.070 0.161 0.000 2.692 630 H HA -0.205 4.350 4.556 -0.002 0.000 0.316 630 H C -0.370 175.318 175.328 0.600 0.000 1.176 630 H CA 1.378 57.587 56.048 0.269 0.000 1.142 630 H CB -1.628 28.271 29.762 0.229 0.000 1.475 630 H HN 0.685 nan 8.280 nan 0.000 0.423 631 Y N -1.487 119.050 120.300 0.395 0.000 2.840 631 Y HA 0.632 5.181 4.550 -0.002 0.000 0.324 631 Y C 0.242 176.307 175.900 0.276 0.000 1.378 631 Y CA -0.367 57.969 58.100 0.394 0.000 1.077 631 Y CB 2.050 40.793 38.460 0.472 0.000 1.361 631 Y HN 0.237 nan 8.280 nan 0.000 0.459 632 G N 0.278 109.031 108.800 -0.078 0.000 2.660 632 G HA2 0.677 4.636 3.960 -0.002 0.000 0.290 632 G HA3 0.677 4.636 3.960 -0.002 0.000 0.290 632 G C -2.244 172.628 174.900 -0.046 0.000 1.432 632 G CA -0.322 44.780 45.100 0.003 0.000 0.807 632 G HN 0.829 nan 8.290 nan 0.000 0.485 633 A N -0.680 122.140 122.820 0.000 0.000 2.401 633 A HA 0.779 5.098 4.320 -0.002 0.000 0.310 633 A C -1.101 176.456 177.584 -0.046 0.000 1.075 633 A CA -0.647 51.392 52.037 0.003 0.000 0.746 633 A CB 2.160 21.174 19.000 0.025 0.000 1.277 633 A HN 1.344 nan 8.150 nan 0.000 0.425 634 V N 3.274 123.169 119.914 -0.032 0.000 2.289 634 V HA 0.244 4.363 4.120 -0.002 0.000 0.272 634 V C -0.576 175.487 176.094 -0.052 0.000 1.026 634 V CA -0.034 62.227 62.300 -0.064 0.000 0.807 634 V CB 0.623 32.422 31.823 -0.040 0.000 1.044 634 V HN 0.702 nan 8.190 nan 0.000 0.443 635 L N 4.632 125.808 121.223 -0.079 0.000 2.312 635 L HA 0.709 5.047 4.340 -0.002 0.000 0.287 635 L C 0.603 177.413 176.870 -0.100 0.000 1.091 635 L CA 0.168 54.978 54.840 -0.049 0.000 0.846 635 L CB 0.605 42.626 42.059 -0.064 0.000 1.219 635 L HN 0.650 nan 8.230 nan 0.000 0.439 636 A N 4.519 127.278 122.820 -0.101 0.000 2.356 636 A HA 0.843 5.162 4.320 -0.002 0.000 0.323 636 A C -0.568 176.965 177.584 -0.085 0.000 1.119 636 A CA -0.464 51.450 52.037 -0.206 0.000 0.790 636 A CB 1.774 20.472 19.000 -0.505 0.000 1.273 636 A HN 0.728 nan 8.150 nan 0.000 0.452 637 Q N 0.000 119.751 119.800 -0.081 0.000 2.315 637 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 637 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 637 Q CB 0.000 28.751 28.738 0.022 0.000 1.108 637 Q HN 0.000 nan 8.270 nan 0.000 0.481