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 1izk_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 AAIIGEYVGN 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 0.000 177.579 177.584 -0.008 0.000 1.274 1 A CA 0.000 51.999 52.037 -0.064 0.000 0.836 1 A CB 0.000 18.885 19.000 -0.191 0.000 0.831 2 A N -0.238 122.604 122.820 0.037 0.000 2.544 2 A HA 0.594 4.909 4.320 -0.008 0.000 0.291 2 A C -1.878 175.739 177.584 0.055 0.000 1.055 2 A CA -0.565 51.493 52.037 0.035 0.000 0.651 2 A CB 0.243 19.246 19.000 0.005 0.000 1.296 2 A HN 0.154 nan 8.150 nan 0.000 0.431 3 N N 2.370 121.099 118.700 0.048 0.000 2.508 3 N HA 0.283 5.018 4.740 -0.008 0.000 0.253 3 N C -1.012 174.520 175.510 0.037 0.000 1.145 3 N CA 0.294 53.375 53.050 0.051 0.000 0.973 3 N CB 0.504 39.020 38.487 0.049 0.000 1.305 3 N HN 0.613 nan 8.380 nan 0.000 0.506 4 D N 0.220 120.643 120.400 0.039 0.000 2.819 4 D HA 0.092 4.727 4.640 -0.008 0.000 0.326 4 D C -0.276 176.043 176.300 0.033 0.000 1.408 4 D CA -0.559 53.458 54.000 0.030 0.000 0.811 4 D CB -0.386 40.428 40.800 0.023 0.000 1.148 4 D HN 0.014 nan 8.370 nan 0.000 0.457 5 N N 1.198 119.920 118.700 0.037 0.000 2.721 5 N HA -0.230 4.505 4.740 -0.008 0.000 0.249 5 N C -0.913 174.625 175.510 0.047 0.000 1.072 5 N CA 0.819 53.892 53.050 0.039 0.000 0.710 5 N CB -1.415 37.091 38.487 0.032 0.000 0.993 5 N HN 0.687 nan 8.380 nan 0.000 0.547 6 N N -0.411 118.324 118.700 0.059 0.000 2.542 6 N HA 0.192 4.927 4.740 -0.008 0.000 0.288 6 N C -1.149 174.429 175.510 0.112 0.000 1.115 6 N CA -0.363 52.732 53.050 0.074 0.000 0.924 6 N CB 1.450 39.971 38.487 0.056 0.000 1.526 6 N HN -0.174 nan 8.380 nan 0.000 0.515 7 V N 3.077 123.080 119.914 0.148 0.000 2.432 7 V HA 0.159 4.274 4.120 -0.008 0.000 0.271 7 V C 0.197 176.471 176.094 0.300 0.000 1.046 7 V CA -0.142 62.282 62.300 0.207 0.000 0.945 7 V CB 0.957 32.913 31.823 0.221 0.000 0.992 7 V HN 0.569 nan 8.190 nan 0.000 0.471 8 E N 4.977 125.370 120.200 0.320 0.000 2.001 8 E HA 0.073 4.418 4.350 -0.008 0.000 0.279 8 E C -0.214 176.665 176.600 0.465 0.000 1.045 8 E CA -0.376 56.255 56.400 0.384 0.000 0.833 8 E CB 0.613 30.612 29.700 0.499 0.000 1.077 8 E HN 0.710 nan 8.360 nan 0.000 0.397 9 W N 2.652 124.053 121.300 0.168 0.000 2.308 9 W HA -0.214 4.441 4.660 -0.008 0.000 0.301 9 W C 1.430 178.032 176.519 0.138 0.000 1.220 9 W CA 0.870 58.309 57.345 0.157 0.000 1.240 9 W CB -0.869 28.688 29.460 0.162 0.000 1.142 9 W HN 0.599 nan 8.180 nan 0.000 0.521 10 N N -1.123 117.824 118.700 0.411 0.000 2.364 10 N HA -0.097 4.638 4.740 -0.008 0.000 0.183 10 N C 1.866 177.345 175.510 -0.052 0.000 1.022 10 N CA 0.980 54.206 53.050 0.293 0.000 0.883 10 N CB -0.578 38.188 38.487 0.465 0.000 0.965 10 N HN 0.188 nan 8.380 nan 0.000 0.438 11 G N 0.217 108.733 108.800 -0.473 0.000 2.838 11 G HA2 0.154 4.110 3.960 -0.008 0.000 0.210 11 G HA3 0.154 4.110 3.960 -0.008 0.000 0.210 11 G C 0.435 175.167 174.900 -0.281 0.000 1.153 11 G CA -0.246 44.207 45.100 -1.078 0.000 0.778 11 G HN 0.044 nan 8.290 nan 0.000 0.539 12 L N 0.293 121.461 121.223 -0.091 0.000 2.371 12 L HA 0.658 4.993 4.340 -0.008 0.000 0.272 12 L C -0.656 176.188 176.870 -0.044 0.000 1.124 12 L CA -0.608 54.173 54.840 -0.099 0.000 0.816 12 L CB 1.113 43.122 42.059 -0.084 0.000 1.129 12 L HN 0.072 nan 8.230 nan 0.000 0.448 13 F N 2.600 122.272 119.950 -0.463 0.000 2.704 13 F HA 0.441 4.963 4.527 -0.008 0.000 0.312 13 F C -1.093 174.293 175.800 -0.691 0.000 1.108 13 F CA -0.549 57.174 58.000 -0.462 0.000 1.005 13 F CB 1.159 39.983 39.000 -0.294 0.000 1.277 13 F HN 0.524 nan 8.300 nan 0.000 0.445 14 H N 4.120 122.135 119.070 -1.758 0.000 3.112 14 H HA 0.476 5.027 4.556 -0.008 0.000 0.347 14 H C -2.244 172.442 175.328 -1.070 0.000 1.188 14 H CA -0.241 54.976 56.048 -1.385 0.000 1.240 14 H CB 2.283 31.487 29.762 -0.930 0.000 1.920 14 H HN 0.819 nan 8.280 nan 0.000 0.535 15 D N 2.064 121.591 120.400 -1.454 0.000 2.779 15 D HA 0.021 4.657 4.640 -0.008 0.000 0.331 15 D C -0.582 175.319 176.300 -0.666 0.000 1.331 15 D CA -0.502 53.090 54.000 -0.680 0.000 0.866 15 D CB 0.637 41.340 40.800 -0.161 0.000 1.409 15 D HN 0.549 nan 8.370 nan 0.000 0.486 16 Q N -0.016 119.666 119.800 -0.197 0.000 2.228 16 Q HA 0.379 4.714 4.340 -0.008 0.000 0.211 16 Q C 0.811 176.802 176.000 -0.015 0.000 0.890 16 Q CA -0.253 55.504 55.803 -0.076 0.000 0.953 16 Q CB 0.698 29.473 28.738 0.061 0.000 1.053 16 Q HN 0.489 nan 8.270 nan 0.000 0.471 17 G N 2.077 110.888 108.800 0.019 0.000 2.667 17 G HA2 0.043 3.998 3.960 -0.008 0.000 0.250 17 G HA3 0.043 3.998 3.960 -0.008 0.000 0.250 17 G C -1.448 173.413 174.900 -0.066 0.000 1.212 17 G CA -0.949 44.142 45.100 -0.015 0.000 0.874 17 G HN 0.019 nan 8.290 nan 0.000 0.561 18 P HA -0.140 nan 4.420 nan 0.000 0.217 18 P C 1.841 178.971 177.300 -0.283 0.000 1.148 18 P CA 0.978 63.977 63.100 -0.168 0.000 0.828 18 P CB 0.197 31.809 31.700 -0.147 0.000 0.783 19 L N -2.633 118.304 121.223 -0.476 0.000 2.376 19 L HA -0.027 4.308 4.340 -0.008 0.000 0.219 19 L C 1.779 178.016 176.870 -1.055 0.000 1.133 19 L CA 1.104 55.433 54.840 -0.851 0.000 0.816 19 L CB -0.445 40.902 42.059 -1.186 0.000 0.933 19 L HN -0.099 nan 8.230 nan 0.000 0.449 20 F N -2.592 117.247 119.950 -0.185 0.000 2.784 20 F HA 0.275 4.797 4.527 -0.008 0.000 0.323 20 F C 0.347 176.088 175.800 -0.098 0.000 1.085 20 F CA -0.579 57.323 58.000 -0.163 0.000 1.196 20 F CB 0.526 39.365 39.000 -0.269 0.000 1.053 20 F HN -0.166 nan 8.300 nan 0.000 0.578 21 D N 0.409 120.818 120.400 0.014 0.000 2.855 21 D HA 0.114 4.749 4.640 -0.008 0.000 0.241 21 D C 0.126 176.406 176.300 -0.034 0.000 1.277 21 D CA -0.127 53.888 54.000 0.024 0.000 0.918 21 D CB 1.025 41.856 40.800 0.052 0.000 1.462 21 D HN 0.042 nan 8.370 nan 0.000 0.559 22 N N 2.519 121.194 118.700 -0.042 0.000 2.412 22 N HA 0.082 4.817 4.740 -0.008 0.000 0.184 22 N C -0.248 175.237 175.510 -0.042 0.000 1.101 22 N CA -0.110 52.906 53.050 -0.057 0.000 0.881 22 N CB 0.500 38.949 38.487 -0.064 0.000 0.969 22 N HN 0.254 nan 8.380 nan 0.000 0.459 23 A N 1.187 123.992 122.820 -0.025 0.000 3.300 23 A HA 0.394 4.709 4.320 -0.008 0.000 0.300 23 A C -1.915 175.671 177.584 0.003 0.000 1.099 23 A CA -0.903 51.124 52.037 -0.018 0.000 0.846 23 A CB 1.004 19.991 19.000 -0.021 0.000 1.255 23 A HN 0.035 nan 8.150 nan 0.000 0.519 24 P HA -0.109 nan 4.420 nan 0.000 0.220 24 P C 0.144 177.450 177.300 0.011 0.000 1.148 24 P CA 1.300 64.410 63.100 0.016 0.000 0.803 24 P CB 0.369 32.063 31.700 -0.011 0.000 0.782 25 E N 0.707 120.898 120.200 -0.015 0.000 3.374 25 E HA 0.250 4.595 4.350 -0.008 0.000 0.223 25 E C -2.325 174.271 176.600 -0.007 0.000 1.210 25 E CA -1.674 54.712 56.400 -0.024 0.000 0.987 25 E CB 0.958 30.608 29.700 -0.083 0.000 1.322 25 E HN 0.366 nan 8.360 nan 0.000 0.404 26 P HA 0.071 nan 4.420 nan 0.000 0.276 26 P C 0.125 177.436 177.300 0.017 0.000 1.244 26 P CA -0.194 62.910 63.100 0.007 0.000 0.801 26 P CB 1.379 33.081 31.700 0.002 0.000 1.006 27 T N -2.348 112.211 114.554 0.009 0.000 2.884 27 T HA 0.194 4.539 4.350 -0.008 0.000 0.277 27 T C 1.430 176.134 174.700 0.007 0.000 0.976 27 T CA -0.412 61.697 62.100 0.015 0.000 0.956 27 T CB -0.205 68.669 68.868 0.010 0.000 1.113 27 T HN 0.244 nan 8.240 nan 0.000 0.554 28 S N 0.518 116.222 115.700 0.008 0.000 2.420 28 S HA -0.093 4.373 4.470 -0.008 0.000 0.237 28 S C 1.980 176.575 174.600 -0.010 0.000 1.023 28 S CA 1.701 59.901 58.200 -0.001 0.000 0.991 28 S CB -0.798 62.404 63.200 0.003 0.000 0.792 28 S HN 0.993 nan 8.310 nan 0.000 0.488 29 T N -1.017 113.532 114.554 -0.008 0.000 3.069 29 T HA 0.270 4.615 4.350 -0.008 0.000 0.252 29 T C 0.200 174.889 174.700 -0.018 0.000 1.053 29 T CA -0.263 61.829 62.100 -0.013 0.000 0.964 29 T CB 0.026 68.889 68.868 -0.008 0.000 1.005 29 T HN 0.220 nan 8.240 nan 0.000 0.532 30 Q N 2.386 122.174 119.800 -0.019 0.000 2.307 30 Q HA 0.519 4.855 4.340 -0.008 0.000 0.262 30 Q C -0.329 175.649 176.000 -0.037 0.000 0.961 30 Q CA -0.674 55.114 55.803 -0.025 0.000 0.882 30 Q CB 1.850 30.576 28.738 -0.020 0.000 1.264 30 Q HN 0.519 nan 8.270 nan 0.000 0.446 31 S N 0.650 116.323 115.700 -0.044 0.000 2.601 31 S HA 0.513 4.978 4.470 -0.008 0.000 0.271 31 S C 0.004 174.565 174.600 -0.065 0.000 1.305 31 S CA -0.771 57.391 58.200 -0.063 0.000 1.022 31 S CB 1.102 64.266 63.200 -0.060 0.000 0.940 31 S HN 0.340 nan 8.310 nan 0.000 0.525 32 V N 2.497 122.357 119.914 -0.091 0.000 2.347 32 V HA 0.372 4.487 4.120 -0.008 0.000 0.280 32 V C 0.102 176.135 176.094 -0.102 0.000 1.021 32 V CA -0.563 61.686 62.300 -0.085 0.000 0.847 32 V CB 1.033 32.804 31.823 -0.086 0.000 0.990 32 V HN 1.029 nan 8.190 nan 0.000 0.444 33 T N 7.317 121.828 114.554 -0.072 0.000 2.733 33 T HA 0.620 4.965 4.350 -0.008 0.000 0.294 33 T C -0.192 174.482 174.700 -0.044 0.000 0.956 33 T CA -0.132 61.928 62.100 -0.066 0.000 0.987 33 T CB 0.389 69.223 68.868 -0.057 0.000 0.920 33 T HN 0.352 nan 8.240 nan 0.000 0.470 34 L N 3.525 124.722 121.223 -0.044 0.000 2.331 34 L HA 0.614 4.950 4.340 -0.008 0.000 0.275 34 L C 0.292 177.211 176.870 0.082 0.000 1.022 34 L CA -0.953 53.913 54.840 0.042 0.000 0.812 34 L CB 1.382 43.407 42.059 -0.057 0.000 1.257 34 L HN 0.339 nan 8.230 nan 0.000 0.435 35 K N 2.721 123.227 120.400 0.175 0.000 2.397 35 K HA 0.594 4.909 4.320 -0.008 0.000 0.253 35 K C -1.524 175.206 176.600 0.217 0.000 0.932 35 K CA -0.823 55.560 56.287 0.160 0.000 0.795 35 K CB 2.802 35.339 32.500 0.062 0.000 1.159 35 K HN 0.239 nan 8.250 nan 0.000 0.424 36 L N 2.815 124.072 121.223 0.056 0.000 2.313 36 L HA 0.434 4.769 4.340 -0.008 0.000 0.283 36 L C -0.439 176.508 176.870 0.128 0.000 1.013 36 L CA -0.356 54.370 54.840 -0.191 0.000 0.816 36 L CB 1.330 43.022 42.059 -0.612 0.000 1.236 36 L HN 0.558 nan 8.230 nan 0.000 0.419 37 R N 2.669 123.239 120.500 0.117 0.000 2.457 37 R HA 0.756 5.092 4.340 -0.008 0.000 0.284 37 R C -0.881 175.436 176.300 0.028 0.000 1.024 37 R CA 0.264 56.478 56.100 0.189 0.000 1.025 37 R CB 1.018 31.446 30.300 0.213 0.000 1.063 37 R HN 0.899 nan 8.270 nan 0.000 0.493 38 T N -0.515 114.115 114.554 0.126 0.000 2.792 38 T HA 0.342 4.688 4.350 -0.008 0.000 0.303 38 T C -0.344 174.543 174.700 0.311 0.000 1.310 38 T CA -0.780 61.401 62.100 0.135 0.000 1.007 38 T CB 0.594 69.551 68.868 0.148 0.000 1.335 38 T HN 0.356 nan 8.240 nan 0.000 0.504 39 F N 1.577 121.718 119.950 0.318 0.000 2.496 39 F HA 0.320 4.842 4.527 -0.008 0.000 0.344 39 F C 1.445 177.346 175.800 0.168 0.000 1.155 39 F CA -0.702 57.427 58.000 0.215 0.000 1.302 39 F CB 0.746 39.825 39.000 0.131 0.000 1.159 39 F HN 0.618 nan 8.300 nan 0.000 0.595 40 K N 1.893 122.482 120.400 0.314 0.000 2.453 40 K HA 0.128 4.443 4.320 -0.008 0.000 0.280 40 K C 0.770 177.483 176.600 0.188 0.000 1.045 40 K CA 0.808 57.226 56.287 0.218 0.000 1.059 40 K CB -0.028 32.532 32.500 0.101 0.000 0.901 40 K HN 0.899 nan 8.250 nan 0.000 0.475 41 G N 3.960 112.894 108.800 0.223 0.000 2.249 41 G HA2 -0.290 3.665 3.960 -0.008 0.000 0.273 41 G HA3 -0.290 3.665 3.960 -0.008 0.000 0.273 41 G C 0.341 175.347 174.900 0.178 0.000 1.036 41 G CA 0.653 45.855 45.100 0.171 0.000 0.824 41 G HN 0.919 nan 8.290 nan 0.000 0.504 42 D N -0.590 119.953 120.400 0.238 0.000 2.271 42 D HA 0.176 4.811 4.640 -0.008 0.000 0.206 42 D C 1.576 177.965 176.300 0.149 0.000 0.967 42 D CA 1.108 55.230 54.000 0.204 0.000 0.867 42 D CB 0.103 41.072 40.800 0.281 0.000 0.960 42 D HN 0.859 nan 8.370 nan 0.000 0.509 43 I N -3.238 117.421 120.570 0.147 0.000 3.170 43 I HA 0.462 4.627 4.170 -0.008 0.000 0.312 43 I C 0.847 177.006 176.117 0.070 0.000 1.085 43 I CA -0.550 60.770 61.300 0.032 0.000 0.999 43 I CB 1.975 39.872 38.000 -0.173 0.000 1.233 43 I HN -0.217 nan 8.210 nan 0.000 0.467 44 T N -1.488 113.060 114.554 -0.009 0.000 3.000 44 T HA 0.299 4.645 4.350 -0.008 0.000 0.248 44 T C 0.621 175.322 174.700 0.001 0.000 1.034 44 T CA 0.531 62.664 62.100 0.055 0.000 1.060 44 T CB -0.312 68.584 68.868 0.047 0.000 0.983 44 T HN 0.947 nan 8.240 nan 0.000 0.482 45 S N -0.109 115.466 115.700 -0.207 0.000 2.567 45 S HA 0.796 5.261 4.470 -0.008 0.000 0.270 45 S C -1.628 172.701 174.600 -0.452 0.000 1.152 45 S CA -0.580 57.457 58.200 -0.271 0.000 0.835 45 S CB 1.530 64.704 63.200 -0.044 0.000 1.115 45 S HN 1.084 nan 8.310 nan 0.000 0.459 46 A N 1.499 124.070 122.820 -0.416 0.000 2.547 46 A HA 0.853 5.168 4.320 -0.008 0.000 0.297 46 A C -1.515 175.917 177.584 -0.254 0.000 1.056 46 A CA -0.834 50.972 52.037 -0.385 0.000 0.688 46 A CB 1.341 20.018 19.000 -0.539 0.000 1.282 46 A HN 0.787 nan 8.150 nan 0.000 0.400 47 N N 0.892 119.384 118.700 -0.346 0.000 2.235 47 N HA 0.477 5.212 4.740 -0.008 0.000 0.293 47 N C -1.380 173.824 175.510 -0.511 0.000 1.083 47 N CA -0.388 52.316 53.050 -0.576 0.000 0.801 47 N CB 2.040 39.786 38.487 -1.234 0.000 1.559 47 N HN 0.590 nan 8.380 nan 0.000 0.472 48 I N 1.062 121.363 120.570 -0.448 0.000 2.342 48 I HA 0.215 4.381 4.170 -0.008 0.000 0.291 48 I C 0.481 176.411 176.117 -0.312 0.000 1.010 48 I CA -0.292 60.797 61.300 -0.353 0.000 1.308 48 I CB 0.982 38.828 38.000 -0.258 0.000 1.400 48 I HN 0.212 nan 8.210 nan 0.000 0.488 49 K N 7.938 128.260 120.400 -0.129 0.000 2.425 49 K HA 0.375 4.691 4.320 -0.008 0.000 0.259 49 K C -1.615 175.194 176.600 0.348 0.000 0.978 49 K CA -0.583 55.772 56.287 0.112 0.000 0.883 49 K CB 1.028 33.650 32.500 0.202 0.000 1.110 49 K HN 0.537 nan 8.250 nan 0.000 0.436 50 Y N 1.901 122.420 120.300 0.364 0.000 2.462 50 Y HA 0.500 5.045 4.550 -0.008 0.000 0.346 50 Y C -1.298 174.953 175.900 0.586 0.000 0.976 50 Y CA -1.338 57.033 58.100 0.452 0.000 1.044 50 Y CB 0.952 39.586 38.460 0.289 0.000 1.230 50 Y HN 0.525 nan 8.280 nan 0.000 0.455 51 W N 5.871 127.443 121.300 0.454 0.000 2.351 51 W HA 0.369 5.024 4.660 -0.008 0.000 0.311 51 W C -1.439 175.239 176.519 0.264 0.000 1.168 51 W CA -0.333 57.087 57.345 0.124 0.000 1.200 51 W CB 1.676 31.086 29.460 -0.084 0.000 1.221 51 W HN 0.808 nan 8.180 nan 0.000 0.519 52 D N 3.824 124.134 120.400 -0.150 0.000 2.349 52 D HA 0.083 4.718 4.640 -0.008 0.000 0.232 52 D C 1.453 177.637 176.300 -0.193 0.000 1.071 52 D CA -0.066 53.938 54.000 0.006 0.000 0.832 52 D CB 1.614 42.475 40.800 0.101 0.000 1.086 52 D HN 0.444 nan 8.370 nan 0.000 0.504 53 T N 1.122 115.709 114.554 0.054 0.000 2.881 53 T HA -0.118 4.228 4.350 -0.008 0.000 0.270 53 T C 1.802 176.517 174.700 0.025 0.000 1.068 53 T CA 0.989 63.171 62.100 0.136 0.000 1.131 53 T CB -0.065 68.904 68.868 0.169 0.000 0.871 53 T HN 0.313 nan 8.240 nan 0.000 0.479 54 A N 1.439 124.252 122.820 -0.012 0.000 1.969 54 A HA -0.092 4.223 4.320 -0.008 0.000 0.218 54 A C 2.291 179.847 177.584 -0.046 0.000 1.169 54 A CA 1.659 53.684 52.037 -0.021 0.000 0.635 54 A CB -0.561 18.424 19.000 -0.024 0.000 0.810 54 A HN 0.528 nan 8.150 nan 0.000 0.445 55 D N -1.433 118.912 120.400 -0.091 0.000 2.380 55 D HA -0.014 4.621 4.640 -0.008 0.000 0.212 55 D C -0.091 176.049 176.300 -0.265 0.000 1.021 55 D CA 0.403 54.329 54.000 -0.124 0.000 0.884 55 D CB -0.148 40.647 40.800 -0.009 0.000 1.001 55 D HN 0.512 nan 8.370 nan 0.000 0.506 56 N N -0.536 117.900 118.700 -0.440 0.000 2.754 56 N HA -0.180 4.555 4.740 -0.008 0.000 0.248 56 N C -0.755 174.032 175.510 -1.204 0.000 1.093 56 N CA 0.319 53.038 53.050 -0.551 0.000 0.699 56 N CB -0.746 37.692 38.487 -0.081 0.000 1.016 56 N HN 0.232 nan 8.380 nan 0.000 0.552 57 A N -0.312 121.536 122.820 -1.621 0.000 2.612 57 A HA 0.715 5.030 4.320 -0.008 0.000 0.293 57 A C -0.890 175.971 177.584 -1.206 0.000 1.075 57 A CA -0.643 50.629 52.037 -1.276 0.000 0.680 57 A CB 0.892 19.508 19.000 -0.640 0.000 1.279 57 A HN 0.121 nan 8.150 nan 0.000 0.411 58 F N 1.480 121.077 119.950 -0.588 0.000 2.382 58 F HA 0.472 4.994 4.527 -0.008 0.000 0.331 58 F C 0.925 176.276 175.800 -0.749 0.000 1.121 58 F CA 0.673 58.457 58.000 -0.360 0.000 1.183 58 F CB 0.962 39.963 39.000 0.002 0.000 1.207 58 F HN 0.458 nan 8.300 nan 0.000 0.555 59 H N 1.291 120.291 119.070 -0.117 0.000 2.717 59 H HA 0.111 4.662 4.556 -0.008 0.000 0.366 59 H C -1.342 173.964 175.328 -0.037 0.000 1.132 59 H CA -0.958 54.925 56.048 -0.275 0.000 1.180 59 H CB 2.171 31.444 29.762 -0.816 0.000 1.678 59 H HN 0.648 nan 8.280 nan 0.000 0.537 60 W N 3.460 124.756 121.300 -0.006 0.000 2.478 60 W HA 0.430 5.085 4.660 -0.008 0.000 0.318 60 W C -1.433 175.147 176.519 0.102 0.000 1.062 60 W CA -0.648 56.726 57.345 0.048 0.000 1.210 60 W CB 1.553 31.032 29.460 0.032 0.000 1.325 60 W HN 0.210 nan 8.180 nan 0.000 0.496 61 V N 7.576 127.422 119.914 -0.113 0.000 2.385 61 V HA 0.171 4.286 4.120 -0.008 0.000 0.277 61 V C -2.149 173.830 176.094 -0.192 0.000 1.012 61 V CA -1.809 60.464 62.300 -0.045 0.000 0.832 61 V CB 1.465 33.315 31.823 0.046 0.000 1.028 61 V HN 0.384 nan 8.190 nan 0.000 0.436 62 P HA 0.225 nan 4.420 nan 0.000 0.268 62 P C -0.131 177.190 177.300 0.035 0.000 1.205 62 P CA 0.342 63.419 63.100 -0.038 0.000 0.771 62 P CB 0.529 32.295 31.700 0.111 0.000 0.858 63 M N 1.738 121.387 119.600 0.081 0.000 2.494 63 M HA 0.564 5.039 4.480 -0.008 0.000 0.300 63 M C -0.173 176.362 176.300 0.392 0.000 1.189 63 M CA -0.804 54.622 55.300 0.210 0.000 0.982 63 M CB 1.699 34.442 32.600 0.240 0.000 1.534 63 M HN 0.063 nan 8.290 nan 0.000 0.488 64 V N 0.152 120.285 119.914 0.364 0.000 3.007 64 V HA 0.452 4.567 4.120 -0.008 0.000 0.311 64 V C -1.899 174.123 176.094 -0.120 0.000 1.120 64 V CA -0.584 61.845 62.300 0.215 0.000 0.980 64 V CB 2.100 33.985 31.823 0.103 0.000 1.033 64 V HN 0.902 nan 8.190 nan 0.000 0.429 65 W N 4.362 125.149 121.300 -0.857 0.000 2.231 65 W HA 0.280 4.935 4.660 -0.008 0.000 0.341 65 W C 0.761 177.017 176.519 -0.439 0.000 1.298 65 W CA 1.292 57.981 57.345 -1.093 0.000 1.266 65 W CB 1.043 29.927 29.460 -0.960 0.000 1.172 65 W HN 0.907 nan 8.180 nan 0.000 0.568 66 D N 1.320 121.022 120.400 -1.163 0.000 2.753 66 D HA 0.127 4.762 4.640 -0.008 0.000 0.291 66 D C -0.000 175.472 176.300 -1.380 0.000 1.075 66 D CA 1.014 54.489 54.000 -0.876 0.000 0.946 66 D CB 0.484 41.018 40.800 -0.442 0.000 1.376 66 D HN 0.268 nan 8.370 nan 0.000 0.482 67 S N -1.560 113.177 115.700 -1.604 0.000 2.656 67 S HA 0.437 4.902 4.470 -0.008 0.000 0.265 67 S C -1.432 172.952 174.600 -0.361 0.000 1.132 67 S CA -1.131 56.461 58.200 -1.013 0.000 0.819 67 S CB 1.028 64.031 63.200 -0.328 0.000 1.119 67 S HN 0.157 nan 8.310 nan 0.000 0.476 68 N N 0.732 119.473 118.700 0.068 0.000 2.471 68 N HA 0.531 5.266 4.740 -0.008 0.000 0.288 68 N C -1.439 174.170 175.510 0.166 0.000 1.220 68 N CA -0.809 52.337 53.050 0.160 0.000 0.893 68 N CB 0.827 39.465 38.487 0.250 0.000 1.256 68 N HN 0.817 nan 8.380 nan 0.000 0.534 69 D N -0.191 120.293 120.400 0.139 0.000 2.388 69 D HA 0.204 4.839 4.640 -0.008 0.000 0.254 69 D C -1.972 174.447 176.300 0.199 0.000 1.111 69 D CA -1.502 52.651 54.000 0.255 0.000 0.993 69 D CB 0.735 41.711 40.800 0.293 0.000 1.118 69 D HN 0.182 nan 8.370 nan 0.000 0.502 70 P HA -0.155 nan 4.420 nan 0.000 0.217 70 P C 1.340 178.711 177.300 0.118 0.000 1.148 70 P CA 2.317 65.495 63.100 0.130 0.000 0.834 70 P CB -0.077 31.692 31.700 0.114 0.000 0.783 71 T N -5.537 109.103 114.554 0.144 0.000 3.113 71 T HA 0.230 4.575 4.350 -0.008 0.000 0.256 71 T C 1.459 176.202 174.700 0.071 0.000 1.131 71 T CA 0.446 62.613 62.100 0.111 0.000 1.074 71 T CB -1.044 67.912 68.868 0.146 0.000 0.944 71 T HN 0.240 nan 8.240 nan 0.000 0.516 72 G N 0.642 109.497 108.800 0.091 0.000 2.249 72 G HA2 -0.273 3.682 3.960 -0.008 0.000 0.273 72 G HA3 -0.273 3.682 3.960 -0.008 0.000 0.273 72 G C 0.577 175.472 174.900 -0.008 0.000 1.036 72 G CA 0.601 45.737 45.100 0.060 0.000 0.824 72 G HN 0.568 nan 8.290 nan 0.000 0.504 73 T N -1.088 113.427 114.554 -0.064 0.000 3.015 73 T HA 0.435 4.780 4.350 -0.008 0.000 0.250 73 T C 0.567 175.012 174.700 -0.425 0.000 1.057 73 T CA 0.805 62.707 62.100 -0.329 0.000 1.066 73 T CB 0.225 68.752 68.868 -0.569 0.000 0.959 73 T HN 0.350 nan 8.240 nan 0.000 0.488 74 F N 0.765 120.789 119.950 0.122 0.000 2.631 74 F HA 0.626 5.148 4.527 -0.008 0.000 0.328 74 F C -0.159 175.610 175.800 -0.052 0.000 1.067 74 F CA -1.504 56.526 58.000 0.049 0.000 0.969 74 F CB 1.170 40.101 39.000 -0.116 0.000 1.332 74 F HN -0.235 nan 8.300 nan 0.000 0.490 75 D N -0.640 119.874 120.400 0.189 0.000 2.374 75 D HA 0.382 5.017 4.640 -0.008 0.000 0.239 75 D C -1.551 174.705 176.300 -0.073 0.000 0.991 75 D CA -0.295 53.802 54.000 0.161 0.000 0.960 75 D CB 2.087 43.181 40.800 0.490 0.000 1.284 75 D HN 0.431 nan 8.370 nan 0.000 0.512 76 Y N -0.239 120.059 120.300 -0.003 0.000 2.346 76 Y HA 0.311 4.856 4.550 -0.008 0.000 0.332 76 Y C -0.671 175.126 175.900 -0.170 0.000 0.985 76 Y CA -1.079 57.014 58.100 -0.011 0.000 1.112 76 Y CB 1.555 39.951 38.460 -0.106 0.000 1.170 76 Y HN 0.222 nan 8.280 nan 0.000 0.447 77 W N 3.843 125.166 121.300 0.038 0.000 2.578 77 W HA 0.653 5.308 4.660 -0.008 0.000 0.346 77 W C -0.664 175.837 176.519 -0.030 0.000 1.075 77 W CA -0.901 56.434 57.345 -0.015 0.000 1.233 77 W CB 1.635 31.099 29.460 0.007 0.000 1.358 77 W HN 0.328 nan 8.180 nan 0.000 0.574 78 K N 1.206 121.706 120.400 0.166 0.000 2.477 78 K HA 0.976 5.291 4.320 -0.008 0.000 0.255 78 K C -0.540 176.110 176.600 0.084 0.000 0.952 78 K CA -1.088 55.248 56.287 0.083 0.000 0.826 78 K CB 2.277 34.772 32.500 -0.008 0.000 1.331 78 K HN 0.597 nan 8.250 nan 0.000 0.437 79 G N 0.478 109.303 108.800 0.041 0.000 2.698 79 G HA2 0.543 4.498 3.960 -0.008 0.000 0.293 79 G HA3 0.543 4.498 3.960 -0.008 0.000 0.293 79 G C -1.590 173.287 174.900 -0.038 0.000 1.437 79 G CA -0.673 44.435 45.100 0.013 0.000 0.852 79 G HN 0.461 nan 8.290 nan 0.000 0.499 80 T N 1.122 115.649 114.554 -0.045 0.000 2.824 80 T HA 0.528 4.873 4.350 -0.008 0.000 0.282 80 T C -0.084 174.552 174.700 -0.107 0.000 0.993 80 T CA -0.231 61.822 62.100 -0.079 0.000 0.967 80 T CB 1.371 70.206 68.868 -0.054 0.000 0.960 80 T HN 0.393 nan 8.240 nan 0.000 0.441 81 I N 5.663 126.116 120.570 -0.195 0.000 2.342 81 I HA 0.288 4.453 4.170 -0.008 0.000 0.291 81 I C -1.770 174.213 176.117 -0.224 0.000 1.010 81 I CA -2.501 58.610 61.300 -0.314 0.000 1.308 81 I CB 1.524 39.196 38.000 -0.547 0.000 1.400 81 I HN 0.345 nan 8.210 nan 0.000 0.488 82 P HA 0.017 nan 4.420 nan 0.000 0.267 82 P C -0.662 176.569 177.300 -0.114 0.000 1.200 82 P CA -0.298 62.741 63.100 -0.101 0.000 0.772 82 P CB 0.716 32.386 31.700 -0.051 0.000 0.855 83 A N 2.395 125.170 122.820 -0.074 0.000 2.401 83 A HA 0.534 4.849 4.320 -0.008 0.000 0.259 83 A C 0.537 178.090 177.584 -0.051 0.000 1.103 83 A CA 0.312 52.312 52.037 -0.061 0.000 0.789 83 A CB -0.328 18.647 19.000 -0.042 0.000 1.035 83 A HN 0.760 nan 8.150 nan 0.000 0.491 84 S N 1.713 117.385 115.700 -0.047 0.000 2.615 84 S HA 0.631 5.096 4.470 -0.008 0.000 0.268 84 S C -2.846 171.740 174.600 -0.025 0.000 1.146 84 S CA -0.335 57.844 58.200 -0.035 0.000 0.818 84 S CB 1.436 64.611 63.200 -0.041 0.000 1.111 84 S HN 0.355 nan 8.310 nan 0.000 0.465 85 P HA 0.139 nan 4.420 nan 0.000 0.245 85 P C 0.547 177.842 177.300 -0.007 0.000 1.206 85 P CA 0.231 63.328 63.100 -0.006 0.000 0.781 85 P CB -0.246 31.453 31.700 -0.001 0.000 0.994 86 S N 0.193 115.883 115.700 -0.016 0.000 2.580 86 S HA 0.314 4.779 4.470 -0.008 0.000 0.274 86 S C 0.351 174.931 174.600 -0.033 0.000 1.329 86 S CA -0.722 57.468 58.200 -0.017 0.000 1.036 86 S CB 0.384 63.575 63.200 -0.015 0.000 0.919 86 S HN -0.065 nan 8.310 nan 0.000 0.515 87 I N 2.481 123.024 120.570 -0.045 0.000 2.588 87 I HA 0.256 4.421 4.170 -0.008 0.000 0.283 87 I C 0.502 176.486 176.117 -0.221 0.000 1.119 87 I CA 0.036 61.267 61.300 -0.115 0.000 1.419 87 I CB 0.523 38.459 38.000 -0.107 0.000 1.394 87 I HN 0.668 nan 8.210 nan 0.000 0.562 88 K N 5.799 126.011 120.400 -0.314 0.000 2.482 88 K HA 0.615 4.930 4.320 -0.008 0.000 0.257 88 K C -1.751 174.586 176.600 -0.438 0.000 0.969 88 K CA -0.909 55.224 56.287 -0.258 0.000 0.842 88 K CB 2.384 34.882 32.500 -0.002 0.000 1.359 88 K HN 0.303 nan 8.250 nan 0.000 0.441 89 Y N 0.365 120.833 120.300 0.280 0.000 2.442 89 Y HA 0.416 4.961 4.550 -0.008 0.000 0.344 89 Y C -0.740 175.322 175.900 0.270 0.000 0.976 89 Y CA -1.176 56.981 58.100 0.095 0.000 1.040 89 Y CB 1.603 40.024 38.460 -0.066 0.000 1.228 89 Y HN 0.581 nan 8.280 nan 0.000 0.451 90 Y N 0.270 120.724 120.300 0.257 0.000 2.609 90 Y HA 0.922 5.467 4.550 -0.008 0.000 0.342 90 Y C -1.030 174.917 175.900 0.078 0.000 1.058 90 Y CA -1.941 56.260 58.100 0.167 0.000 1.055 90 Y CB 1.816 40.282 38.460 0.011 0.000 1.292 90 Y HN 0.702 nan 8.280 nan 0.000 0.476 91 R N 0.780 121.407 120.500 0.213 0.000 2.764 91 R HA 0.715 5.050 4.340 -0.008 0.000 0.270 91 R C -2.283 173.972 176.300 -0.075 0.000 1.014 91 R CA -0.832 55.360 56.100 0.153 0.000 0.904 91 R CB 1.729 32.174 30.300 0.241 0.000 1.236 91 R HN 0.587 nan 8.270 nan 0.000 0.466 92 F N 0.395 120.502 119.950 0.261 0.000 2.480 92 F HA 0.393 4.915 4.527 -0.008 0.000 0.329 92 F C 0.207 175.912 175.800 -0.160 0.000 1.091 92 F CA -0.775 57.225 58.000 -0.000 0.000 0.972 92 F CB 2.214 41.156 39.000 -0.097 0.000 1.150 92 F HN 0.421 nan 8.300 nan 0.000 0.467 93 Q N 3.943 123.532 119.800 -0.352 0.000 2.307 93 Q HA 0.631 4.966 4.340 -0.008 0.000 0.262 93 Q C -1.515 174.167 176.000 -0.531 0.000 0.961 93 Q CA -0.472 54.750 55.803 -0.968 0.000 0.882 93 Q CB 1.308 29.370 28.738 -1.127 0.000 1.264 93 Q HN 0.757 nan 8.270 nan 0.000 0.446 94 I N 3.969 124.254 120.570 -0.476 0.000 2.418 94 I HA 0.389 4.554 4.170 -0.008 0.000 0.287 94 I C -0.785 175.186 176.117 -0.243 0.000 1.008 94 I CA -0.884 60.223 61.300 -0.322 0.000 1.104 94 I CB 1.653 39.506 38.000 -0.245 0.000 1.264 94 I HN 0.504 nan 8.210 nan 0.000 0.438 95 N N 4.713 123.281 118.700 -0.219 0.000 2.342 95 N HA 0.333 5.068 4.740 -0.008 0.000 0.293 95 N C -1.356 174.104 175.510 -0.083 0.000 1.026 95 N CA -0.576 52.401 53.050 -0.121 0.000 0.857 95 N CB 2.642 41.076 38.487 -0.088 0.000 1.256 95 N HN 0.524 nan 8.380 nan 0.000 0.484 96 D N 1.002 121.390 120.400 -0.020 0.000 2.375 96 D HA 0.437 5.072 4.640 -0.008 0.000 0.259 96 D C 0.939 177.254 176.300 0.026 0.000 1.235 96 D CA 0.094 54.101 54.000 0.011 0.000 0.924 96 D CB 0.367 41.192 40.800 0.040 0.000 1.143 96 D HN 0.767 nan 8.370 nan 0.000 0.529 97 G N 2.930 111.745 108.800 0.024 0.000 2.591 97 G HA2 -0.376 3.579 3.960 -0.008 0.000 0.298 97 G HA3 -0.376 3.579 3.960 -0.008 0.000 0.298 97 G C 1.148 176.066 174.900 0.030 0.000 1.195 97 G CA 0.847 45.964 45.100 0.029 0.000 0.989 97 G HN 0.906 nan 8.290 nan 0.000 0.551 98 T N -1.684 112.890 114.554 0.034 0.000 3.148 98 T HA 0.474 4.820 4.350 -0.008 0.000 0.253 98 T C 1.024 175.753 174.700 0.048 0.000 1.134 98 T CA 1.461 63.583 62.100 0.038 0.000 1.051 98 T CB 0.062 68.951 68.868 0.035 0.000 0.959 98 T HN 1.437 nan 8.240 nan 0.000 0.525 99 S N 0.813 116.542 115.700 0.049 0.000 2.437 99 S HA 0.570 5.035 4.470 -0.008 0.000 0.305 99 S C -0.603 174.033 174.600 0.060 0.000 1.109 99 S CA -0.498 57.743 58.200 0.068 0.000 1.099 99 S CB 1.005 64.252 63.200 0.078 0.000 1.004 99 S HN 0.393 nan 8.310 nan 0.000 0.475 100 T N 3.752 118.355 114.554 0.080 0.000 2.863 100 T HA 0.816 5.161 4.350 -0.008 0.000 0.285 100 T C -0.704 174.053 174.700 0.096 0.000 1.009 100 T CA -0.435 61.682 62.100 0.028 0.000 0.989 100 T CB 1.584 70.463 68.868 0.018 0.000 1.004 100 T HN 0.884 nan 8.240 nan 0.000 0.455 101 A N 1.998 124.809 122.820 -0.015 0.000 2.515 101 A HA 0.871 5.186 4.320 -0.008 0.000 0.296 101 A C -2.128 175.365 177.584 -0.152 0.000 1.094 101 A CA -0.905 51.181 52.037 0.082 0.000 0.718 101 A CB 1.280 20.372 19.000 0.154 0.000 1.307 101 A HN 0.788 nan 8.150 nan 0.000 0.408 102 W N -1.032 120.260 121.300 -0.013 0.000 2.820 102 W HA 0.704 5.359 4.660 -0.008 0.000 0.350 102 W C -1.032 175.497 176.519 0.017 0.000 1.116 102 W CA -0.065 57.292 57.345 0.019 0.000 1.146 102 W CB 1.592 31.054 29.460 0.003 0.000 1.433 102 W HN 0.679 nan 8.180 nan 0.000 0.561 103 Y N 3.211 123.647 120.300 0.227 0.000 2.436 103 Y HA 0.321 4.866 4.550 -0.008 0.000 0.327 103 Y C -0.531 175.564 175.900 0.324 0.000 1.138 103 Y CA -1.053 57.137 58.100 0.150 0.000 1.042 103 Y CB 0.825 39.321 38.460 0.059 0.000 1.302 103 Y HN 0.588 nan 8.280 nan 0.000 0.439 104 N N 1.398 120.167 118.700 0.115 0.000 3.633 104 N HA 0.342 5.077 4.740 -0.008 0.000 0.344 104 N C 0.964 176.183 175.510 -0.486 0.000 1.627 104 N CA -0.151 52.960 53.050 0.101 0.000 0.754 104 N CB -0.117 38.303 38.487 -0.110 0.000 2.450 104 N HN 0.649 nan 8.380 nan 0.000 0.592 105 G N -0.351 107.768 108.800 -1.134 0.000 2.475 105 G HA2 -0.327 3.628 3.960 -0.008 0.000 0.220 105 G HA3 -0.327 3.628 3.960 -0.008 0.000 0.220 105 G C 1.006 175.625 174.900 -0.468 0.000 1.125 105 G CA 1.406 45.891 45.100 -1.025 0.000 0.755 105 G HN 0.716 nan 8.290 nan 0.000 0.565 106 N N 0.172 118.631 118.700 -0.402 0.000 2.383 106 N HA 0.317 5.052 4.740 -0.008 0.000 0.192 106 N C 1.079 176.383 175.510 -0.344 0.000 1.141 106 N CA 1.178 54.054 53.050 -0.291 0.000 0.851 106 N CB 0.101 38.445 38.487 -0.238 0.000 0.976 106 N HN 0.576 nan 8.380 nan 0.000 0.465 107 G N -0.466 107.982 108.800 -0.587 0.000 2.587 107 G HA2 -0.215 3.740 3.960 -0.008 0.000 0.212 107 G HA3 -0.215 3.740 3.960 -0.008 0.000 0.212 107 G C -2.737 171.553 174.900 -1.016 0.000 1.327 107 G CA -0.655 43.902 45.100 -0.905 0.000 0.898 107 G HN 0.204 nan 8.290 nan 0.000 0.551 108 P HA 0.505 nan 4.420 nan 0.000 0.272 108 P C -0.308 176.492 177.300 -0.834 0.000 1.230 108 P CA 0.395 63.022 63.100 -0.788 0.000 0.788 108 P CB 1.590 32.639 31.700 -1.085 0.000 0.949 109 S N -0.508 114.733 115.700 -0.765 0.000 2.548 109 S HA 0.298 4.763 4.470 -0.008 0.000 0.278 109 S C 0.821 175.474 174.600 0.088 0.000 1.150 109 S CA -0.155 57.875 58.200 -0.284 0.000 0.907 109 S CB 0.344 63.484 63.200 -0.099 0.000 1.108 109 S HN 0.388 nan 8.310 nan 0.000 0.459 110 S N 2.086 118.025 115.700 0.399 0.000 2.414 110 S HA 0.100 4.566 4.470 -0.008 0.000 0.227 110 S C 0.986 175.794 174.600 0.346 0.000 1.022 110 S CA 1.019 59.500 58.200 0.468 0.000 0.958 110 S CB -0.737 62.723 63.200 0.434 0.000 0.797 110 S HN 1.124 nan 8.310 nan 0.000 0.493 111 T N -0.174 114.503 114.554 0.205 0.000 2.945 111 T HA 0.482 4.828 4.350 -0.008 0.000 0.286 111 T C -0.595 174.000 174.700 -0.175 0.000 1.025 111 T CA -0.899 61.237 62.100 0.060 0.000 1.039 111 T CB 1.563 70.430 68.868 -0.001 0.000 1.068 111 T HN 0.292 nan 8.240 nan 0.000 0.497 112 E N 2.152 122.012 120.200 -0.568 0.000 2.324 112 E HA 0.236 4.581 4.350 -0.008 0.000 0.271 112 E C -2.147 174.106 176.600 -0.578 0.000 1.028 112 E CA -1.611 54.097 56.400 -1.152 0.000 0.890 112 E CB 0.182 28.968 29.700 -1.522 0.000 1.004 112 E HN 0.415 nan 8.360 nan 0.000 0.431 113 P HA 0.093 nan 4.420 nan 0.000 0.274 113 P C -0.664 176.476 177.300 -0.266 0.000 1.237 113 P CA -0.167 62.770 63.100 -0.271 0.000 0.793 113 P CB 0.627 32.208 31.700 -0.199 0.000 0.977 114 N N -0.634 117.937 118.700 -0.216 0.000 2.159 114 N HA 0.420 5.155 4.740 -0.008 0.000 0.217 114 N C -0.378 175.002 175.510 -0.218 0.000 1.223 114 N CA -0.376 52.555 53.050 -0.197 0.000 0.896 114 N CB 0.642 39.022 38.487 -0.178 0.000 1.064 114 N HN 0.368 nan 8.380 nan 0.000 0.518 115 A N -0.486 122.200 122.820 -0.224 0.000 2.593 115 A HA 0.649 4.964 4.320 -0.008 0.000 0.290 115 A C -1.154 176.271 177.584 -0.265 0.000 1.126 115 A CA -0.372 51.514 52.037 -0.253 0.000 0.695 115 A CB 0.736 19.602 19.000 -0.222 0.000 1.290 115 A HN 0.057 nan 8.150 nan 0.000 0.414 116 D N 0.228 120.450 120.400 -0.297 0.000 3.017 116 D HA -0.103 4.532 4.640 -0.008 0.000 0.220 116 D C -0.489 175.550 176.300 -0.435 0.000 1.141 116 D CA 1.496 55.302 54.000 -0.324 0.000 0.848 116 D CB -1.107 39.523 40.800 -0.283 0.000 1.102 116 D HN 0.600 nan 8.370 nan 0.000 0.427 117 D N -0.730 119.402 120.400 -0.446 0.000 2.360 117 D HA 0.223 4.858 4.640 -0.008 0.000 0.242 117 D C 1.034 176.960 176.300 -0.623 0.000 1.184 117 D CA 0.072 53.809 54.000 -0.438 0.000 0.930 117 D CB 0.271 40.916 40.800 -0.258 0.000 1.161 117 D HN -0.025 nan 8.370 nan 0.000 0.447 118 F N 0.203 119.832 119.950 -0.536 0.000 2.406 118 F HA 0.164 4.686 4.527 -0.008 0.000 0.327 118 F C 0.497 175.990 175.800 -0.512 0.000 1.153 118 F CA -0.064 57.597 58.000 -0.566 0.000 1.218 118 F CB 0.406 38.812 39.000 -0.989 0.000 1.215 118 F HN 0.170 nan 8.300 nan 0.000 0.570 119 Y N 1.749 122.110 120.300 0.102 0.000 2.387 119 Y HA 0.588 5.133 4.550 -0.008 0.000 0.336 119 Y C -0.066 175.926 175.900 0.154 0.000 1.067 119 Y CA -0.753 57.441 58.100 0.156 0.000 1.114 119 Y CB 1.258 39.831 38.460 0.189 0.000 1.208 119 Y HN 0.218 nan 8.280 nan 0.000 0.458 120 I N 5.114 125.832 120.570 0.246 0.000 2.476 120 I HA 0.343 4.508 4.170 -0.008 0.000 0.281 120 I C -1.107 175.075 176.117 0.108 0.000 1.040 120 I CA -0.323 61.081 61.300 0.173 0.000 1.094 120 I CB 1.215 39.284 38.000 0.115 0.000 1.219 120 I HN 0.505 nan 8.210 nan 0.000 0.450 121 I N 7.932 128.598 120.570 0.159 0.000 2.555 121 I HA 0.300 4.465 4.170 -0.008 0.000 0.275 121 I C -2.405 173.800 176.117 0.147 0.000 1.082 121 I CA -1.780 59.606 61.300 0.144 0.000 1.167 121 I CB 1.223 39.356 38.000 0.221 0.000 1.312 121 I HN 0.179 nan 8.210 nan 0.000 0.493 122 P HA 0.039 nan 4.420 nan 0.000 0.262 122 P C -0.040 177.315 177.300 0.091 0.000 1.182 122 P CA 0.647 63.785 63.100 0.064 0.000 0.761 122 P CB 0.193 31.908 31.700 0.025 0.000 0.795 123 N N -0.513 118.241 118.700 0.090 0.000 2.909 123 N HA -0.241 4.494 4.740 -0.008 0.000 0.242 123 N C -0.384 175.232 175.510 0.178 0.000 0.975 123 N CA 0.337 53.447 53.050 0.099 0.000 0.921 123 N CB -1.971 36.562 38.487 0.076 0.000 1.112 123 N HN 0.420 nan 8.380 nan 0.000 0.581 124 F N 1.633 121.588 119.950 0.007 0.000 2.424 124 F HA 0.455 4.978 4.527 -0.008 0.000 0.356 124 F C 0.302 176.101 175.800 -0.002 0.000 1.110 124 F CA -0.647 57.357 58.000 0.006 0.000 1.161 124 F CB 0.641 39.644 39.000 0.005 0.000 1.115 124 F HN -0.150 nan 8.300 nan 0.000 0.507 125 K N 4.377 124.684 120.400 -0.155 0.000 2.468 125 K HA 0.370 4.685 4.320 -0.008 0.000 0.252 125 K C -1.160 175.217 176.600 -0.372 0.000 0.932 125 K CA -0.583 55.515 56.287 -0.315 0.000 0.794 125 K CB 1.848 34.284 32.500 -0.107 0.000 1.241 125 K HN 0.614 nan 8.250 nan 0.000 0.428 126 T N 1.329 115.618 114.554 -0.441 0.000 2.855 126 T HA 0.610 4.955 4.350 -0.008 0.000 0.281 126 T C -2.508 171.997 174.700 -0.325 0.000 1.007 126 T CA -2.292 59.595 62.100 -0.354 0.000 1.009 126 T CB 1.359 69.992 68.868 -0.391 0.000 0.983 126 T HN 0.447 nan 8.240 nan 0.000 0.455 127 P HA 0.131 nan 4.420 nan 0.000 0.264 127 P C 0.025 176.989 177.300 -0.560 0.000 1.193 127 P CA 0.021 62.834 63.100 -0.478 0.000 0.763 127 P CB 0.641 31.892 31.700 -0.748 0.000 0.810 128 D N 2.796 123.003 120.400 -0.321 0.000 2.219 128 D HA -0.113 4.523 4.640 -0.008 0.000 0.205 128 D C 1.901 178.070 176.300 -0.218 0.000 0.970 128 D CA 1.074 54.937 54.000 -0.229 0.000 0.851 128 D CB -0.277 40.465 40.800 -0.097 0.000 0.943 128 D HN 0.619 nan 8.370 nan 0.000 0.488 129 W N 0.824 121.986 121.300 -0.230 0.000 2.392 129 W HA -0.025 4.631 4.660 -0.006 0.000 0.279 129 W C 1.616 177.934 176.519 -0.335 0.000 1.225 129 W CA 0.016 57.152 57.345 -0.348 0.000 1.233 129 W CB -1.139 27.847 29.460 -0.789 0.000 1.122 129 W HN -0.042 nan 8.180 nan 0.000 0.561 130 L N 1.490 122.163 121.223 -0.916 0.000 2.072 130 L HA -0.144 4.191 4.340 -0.008 0.000 0.205 130 L C 2.690 179.334 176.870 -0.376 0.000 1.079 130 L CA 1.602 55.979 54.840 -0.771 0.000 0.752 130 L CB -0.321 41.108 42.059 -1.050 0.000 0.906 130 L HN -0.089 nan 8.230 nan 0.000 0.436 131 K N -0.265 119.928 120.400 -0.346 0.000 2.097 131 K HA -0.127 4.188 4.320 -0.008 0.000 0.206 131 K C 1.422 177.936 176.600 -0.145 0.000 1.049 131 K CA 1.205 57.355 56.287 -0.229 0.000 0.933 131 K CB -0.085 32.289 32.500 -0.209 0.000 0.717 131 K HN 0.440 nan 8.250 nan 0.000 0.442 132 N N 0.381 119.019 118.700 -0.104 0.000 2.280 132 N HA 0.009 4.744 4.740 -0.008 0.000 0.192 132 N C 0.686 176.198 175.510 0.005 0.000 1.109 132 N CA 0.165 53.193 53.050 -0.037 0.000 0.855 132 N CB 0.763 39.244 38.487 -0.010 0.000 0.974 132 N HN 0.108 nan 8.380 nan 0.000 0.482 133 G N 0.186 108.993 108.800 0.012 0.000 2.531 133 G HA2 0.500 4.455 3.960 -0.008 0.000 0.313 133 G HA3 0.500 4.455 3.960 -0.008 0.000 0.313 133 G C -0.670 174.261 174.900 0.051 0.000 1.238 133 G CA -0.224 44.918 45.100 0.071 0.000 0.994 133 G HN -0.069 nan 8.290 nan 0.000 0.493 134 V N 0.793 120.759 119.914 0.086 0.000 2.531 134 V HA 0.444 4.559 4.120 -0.008 0.000 0.301 134 V C -0.059 176.109 176.094 0.123 0.000 1.034 134 V CA -0.500 61.847 62.300 0.079 0.000 0.865 134 V CB 1.519 33.387 31.823 0.074 0.000 0.995 134 V HN 0.771 nan 8.190 nan 0.000 0.424 135 M N 4.634 124.308 119.600 0.122 0.000 2.423 135 M HA 0.566 5.041 4.480 -0.008 0.000 0.335 135 M C -1.848 174.578 176.300 0.210 0.000 1.177 135 M CA -0.676 54.724 55.300 0.167 0.000 1.038 135 M CB 1.682 34.366 32.600 0.140 0.000 1.641 135 M HN 0.746 nan 8.290 nan 0.000 0.455 136 Y N 3.184 123.527 120.300 0.072 0.000 2.326 136 Y HA 0.304 4.850 4.550 -0.007 0.000 0.329 136 Y C -0.845 175.059 175.900 0.007 0.000 0.973 136 Y CA -0.529 57.591 58.100 0.033 0.000 1.162 136 Y CB 1.285 39.730 38.460 -0.025 0.000 1.147 136 Y HN 0.631 nan 8.280 nan 0.000 0.456 137 Q N 6.494 126.153 119.800 -0.235 0.000 2.256 137 Q HA 0.565 4.901 4.340 -0.008 0.000 0.254 137 Q C -1.508 174.256 176.000 -0.393 0.000 0.916 137 Q CA -0.415 55.251 55.803 -0.228 0.000 0.932 137 Q CB 0.850 29.561 28.738 -0.044 0.000 1.207 137 Q HN 0.805 nan 8.270 nan 0.000 0.426 138 I N 4.122 124.408 120.570 -0.474 0.000 2.436 138 I HA 0.267 4.432 4.170 -0.008 0.000 0.289 138 I C -0.994 174.796 176.117 -0.545 0.000 1.010 138 I CA -0.832 60.114 61.300 -0.591 0.000 1.098 138 I CB 1.460 39.104 38.000 -0.593 0.000 1.266 138 I HN 0.651 nan 8.210 nan 0.000 0.434 139 F N 9.172 128.640 119.950 -0.803 0.000 2.334 139 F HA 0.389 4.911 4.527 -0.008 0.000 0.365 139 F C -1.680 173.819 175.800 -0.502 0.000 1.124 139 F CA -1.961 55.710 58.000 -0.549 0.000 1.166 139 F CB 0.790 39.544 39.000 -0.409 0.000 1.355 139 F HN 0.329 nan 8.300 nan 0.000 0.532 140 P HA -0.327 nan 4.420 nan 0.000 0.225 140 P C 1.124 178.228 177.300 -0.327 0.000 1.154 140 P CA 2.076 64.790 63.100 -0.642 0.000 0.933 140 P CB 0.181 31.078 31.700 -1.338 0.000 0.790 141 D N -2.567 117.761 120.400 -0.119 0.000 2.350 141 D HA -0.112 4.524 4.640 -0.008 0.000 0.216 141 D C 1.549 178.030 176.300 0.303 0.000 0.968 141 D CA 0.750 54.898 54.000 0.246 0.000 0.894 141 D CB -0.022 40.990 40.800 0.355 0.000 0.909 141 D HN -0.074 nan 8.370 nan 0.000 0.520 142 R N -1.502 119.136 120.500 0.230 0.000 2.437 142 R HA 0.280 4.615 4.340 -0.008 0.000 0.257 142 R C 0.994 177.550 176.300 0.427 0.000 0.927 142 R CA -0.123 56.061 56.100 0.139 0.000 1.078 142 R CB -0.262 30.051 30.300 0.022 0.000 1.161 142 R HN 0.220 nan 8.270 nan 0.000 0.529 143 F N -0.870 119.244 119.950 0.273 0.000 2.123 143 F HA 0.159 4.681 4.527 -0.009 0.000 0.289 143 F C -0.151 176.181 175.800 0.887 0.000 1.099 143 F CA 0.539 58.783 58.000 0.405 0.000 1.234 143 F CB 0.527 39.586 39.000 0.097 0.000 1.034 143 F HN -0.034 nan 8.300 nan 0.000 0.479 144 Y N 0.641 121.179 120.300 0.396 0.000 2.357 144 Y HA 0.199 4.744 4.550 -0.008 0.000 0.319 144 Y C -1.187 174.641 175.900 -0.119 0.000 1.225 144 Y CA -1.441 56.642 58.100 -0.030 0.000 1.095 144 Y CB 0.326 38.559 38.460 -0.379 0.000 1.302 144 Y HN -0.099 nan 8.280 nan 0.000 0.429 145 N N 3.601 121.694 118.700 -1.011 0.000 2.421 145 N HA 0.152 4.887 4.740 -0.008 0.000 0.260 145 N C 0.686 175.667 175.510 -0.881 0.000 1.173 145 N CA 1.026 53.674 53.050 -0.669 0.000 0.960 145 N CB 1.408 39.586 38.487 -0.515 0.000 1.273 145 N HN 1.023 nan 8.380 nan 0.000 0.497 146 G N 1.696 110.232 108.800 -0.440 0.000 2.551 146 G HA2 -0.099 3.856 3.960 -0.008 0.000 0.216 146 G HA3 -0.099 3.856 3.960 -0.008 0.000 0.216 146 G C 0.095 174.898 174.900 -0.161 0.000 1.137 146 G CA 0.161 45.115 45.100 -0.243 0.000 0.798 146 G HN 0.577 nan 8.290 nan 0.000 0.536 147 D N -0.697 119.625 120.400 -0.129 0.000 2.386 147 D HA 0.248 4.883 4.640 -0.008 0.000 0.247 147 D C 0.466 176.729 176.300 -0.062 0.000 1.336 147 D CA -0.449 53.506 54.000 -0.076 0.000 0.976 147 D CB 1.351 42.135 40.800 -0.027 0.000 1.257 147 D HN -0.113 nan 8.370 nan 0.000 0.570 148 S N 1.673 117.326 115.700 -0.079 0.000 2.603 148 S HA -0.089 4.376 4.470 -0.008 0.000 0.229 148 S C 1.767 176.353 174.600 -0.024 0.000 0.972 148 S CA 1.344 59.513 58.200 -0.052 0.000 0.935 148 S CB 0.115 63.275 63.200 -0.067 0.000 0.769 148 S HN 0.542 nan 8.310 nan 0.000 0.536 149 S N 2.500 118.187 115.700 -0.021 0.000 2.377 149 S HA -0.100 4.366 4.470 -0.008 0.000 0.223 149 S C 1.404 176.001 174.600 -0.005 0.000 1.030 149 S CA 0.995 59.187 58.200 -0.013 0.000 0.970 149 S CB -0.902 62.289 63.200 -0.014 0.000 0.830 149 S HN 0.752 nan 8.310 nan 0.000 0.473 150 N N 1.734 120.438 118.700 0.006 0.000 2.515 150 N HA 0.087 4.822 4.740 -0.008 0.000 0.191 150 N C -0.852 174.669 175.510 0.019 0.000 1.182 150 N CA 0.152 53.210 53.050 0.014 0.000 0.879 150 N CB -0.743 37.764 38.487 0.035 0.000 0.984 150 N HN 0.251 nan 8.380 nan 0.000 0.453 151 D N 0.160 120.571 120.400 0.020 0.000 2.423 151 D HA 0.042 4.677 4.640 -0.008 0.000 0.238 151 D C -0.245 176.041 176.300 -0.024 0.000 1.142 151 D CA -0.129 53.889 54.000 0.032 0.000 0.884 151 D CB 1.299 42.120 40.800 0.035 0.000 1.199 151 D HN -0.118 nan 8.370 nan 0.000 0.438 152 V N 2.887 122.764 119.914 -0.063 0.000 2.368 152 V HA 0.089 4.204 4.120 -0.008 0.000 0.266 152 V C 0.493 176.500 176.094 -0.145 0.000 1.045 152 V CA -0.507 61.664 62.300 -0.214 0.000 0.899 152 V CB 1.034 32.480 31.823 -0.629 0.000 1.006 152 V HN 0.390 nan 8.190 nan 0.000 0.470 153 Q N 2.798 122.523 119.800 -0.124 0.000 2.317 153 Q HA 0.254 4.589 4.340 -0.008 0.000 0.229 153 Q C 0.493 176.429 176.000 -0.106 0.000 0.984 153 Q CA 0.034 55.785 55.803 -0.087 0.000 0.911 153 Q CB 1.002 29.705 28.738 -0.058 0.000 1.217 153 Q HN 0.758 nan 8.270 nan 0.000 0.501 154 T N 2.470 116.977 114.554 -0.080 0.000 3.738 154 T HA 0.385 4.730 4.350 -0.008 0.000 0.231 154 T C 0.493 175.202 174.700 0.015 0.000 0.967 154 T CA 0.804 62.864 62.100 -0.068 0.000 1.227 154 T CB -0.959 67.841 68.868 -0.114 0.000 1.136 154 T HN 0.767 nan 8.240 nan 0.000 0.807 155 G N 0.748 109.541 108.800 -0.013 0.000 2.559 155 G HA2 -0.183 3.772 3.960 -0.008 0.000 0.202 155 G HA3 -0.183 3.772 3.960 -0.008 0.000 0.202 155 G C 1.223 176.091 174.900 -0.054 0.000 0.992 155 G CA 0.071 45.173 45.100 0.003 0.000 0.764 155 G HN 0.502 nan 8.290 nan 0.000 0.525 156 S N -0.328 115.298 115.700 -0.123 0.000 2.368 156 S HA 0.044 4.509 4.470 -0.008 0.000 0.226 156 S C 0.903 175.507 174.600 0.007 0.000 1.044 156 S CA 2.104 60.250 58.200 -0.090 0.000 1.062 156 S CB -0.302 62.807 63.200 -0.152 0.000 0.931 156 S HN 1.394 nan 8.310 nan 0.000 0.440 157 Y N -1.707 118.555 120.300 -0.063 0.000 2.689 157 Y HA 0.761 5.306 4.550 -0.008 0.000 0.333 157 Y C -0.576 175.316 175.900 -0.012 0.000 1.190 157 Y CA -1.266 56.804 58.100 -0.051 0.000 1.063 157 Y CB 1.073 39.484 38.460 -0.082 0.000 1.294 157 Y HN -0.195 nan 8.280 nan 0.000 0.466 158 T N 0.776 115.504 114.554 0.289 0.000 2.887 158 T HA 0.537 4.883 4.350 -0.008 0.000 0.288 158 T C -2.368 172.483 174.700 0.251 0.000 1.021 158 T CA -0.511 61.696 62.100 0.179 0.000 1.000 158 T CB 0.851 69.751 68.868 0.053 0.000 1.034 158 T HN 0.733 nan 8.240 nan 0.000 0.467 159 Y N 4.439 124.767 120.300 0.046 0.000 2.331 159 Y HA 0.397 4.942 4.550 -0.008 0.000 0.326 159 Y C 0.476 176.283 175.900 -0.155 0.000 1.020 159 Y CA -0.604 57.458 58.100 -0.063 0.000 1.136 159 Y CB 0.862 39.354 38.460 0.053 0.000 1.157 159 Y HN 0.971 nan 8.280 nan 0.000 0.444 160 N N 4.701 122.750 118.700 -1.085 0.000 2.727 160 N HA -0.209 4.526 4.740 -0.008 0.000 0.249 160 N C 0.488 175.799 175.510 -0.332 0.000 1.048 160 N CA 0.847 53.378 53.050 -0.864 0.000 0.714 160 N CB -0.990 36.921 38.487 -0.961 0.000 0.959 160 N HN 1.593 nan 8.380 nan 0.000 0.544 161 G N -0.377 108.289 108.800 -0.223 0.000 2.289 161 G HA2 -0.227 3.729 3.960 -0.008 0.000 0.280 161 G HA3 -0.227 3.729 3.960 -0.008 0.000 0.280 161 G C -0.225 174.636 174.900 -0.066 0.000 1.089 161 G CA 0.564 45.603 45.100 -0.102 0.000 0.939 161 G HN 0.567 nan 8.290 nan 0.000 0.499 162 T N 0.188 114.719 114.554 -0.038 0.000 3.193 162 T HA 0.543 4.888 4.350 -0.008 0.000 0.332 162 T C -3.057 171.663 174.700 0.033 0.000 1.208 162 T CA -0.746 61.351 62.100 -0.004 0.000 1.080 162 T CB 3.348 72.247 68.868 0.053 0.000 1.180 162 T HN 0.055 nan 8.240 nan 0.000 0.469 163 P HA 0.355 nan 4.420 nan 0.000 0.281 163 P C -0.131 177.252 177.300 0.138 0.000 1.249 163 P CA -0.490 62.630 63.100 0.034 0.000 0.810 163 P CB 0.358 32.067 31.700 0.014 0.000 1.008 164 T N -1.311 113.223 114.554 -0.034 0.000 2.910 164 T HA 0.365 4.711 4.350 -0.008 0.000 0.293 164 T C -0.290 174.438 174.700 0.047 0.000 1.015 164 T CA -0.666 61.403 62.100 -0.051 0.000 1.094 164 T CB 0.813 69.342 68.868 -0.565 0.000 0.968 164 T HN 0.450 nan 8.240 nan 0.000 0.521 165 E N 1.232 121.464 120.200 0.054 0.000 2.210 165 E HA 0.355 4.700 4.350 -0.008 0.000 0.266 165 E C -0.826 175.720 176.600 -0.090 0.000 0.883 165 E CA -0.931 55.354 56.400 -0.191 0.000 0.761 165 E CB 1.349 30.674 29.700 -0.626 0.000 1.156 165 E HN 0.693 nan 8.360 nan 0.000 0.412 166 K N 3.710 124.031 120.400 -0.132 0.000 2.172 166 K HA 0.263 4.579 4.320 -0.008 0.000 0.276 166 K C -0.829 175.640 176.600 -0.218 0.000 1.013 166 K CA -0.649 55.578 56.287 -0.099 0.000 0.913 166 K CB 0.802 33.265 32.500 -0.062 0.000 1.055 166 K HN 0.259 nan 8.250 nan 0.000 0.461 167 K N 1.830 122.014 120.400 -0.360 0.000 2.259 167 K HA 0.392 4.707 4.320 -0.008 0.000 0.249 167 K C -0.871 175.477 176.600 -0.421 0.000 0.942 167 K CA -0.750 55.201 56.287 -0.559 0.000 0.816 167 K CB 2.009 33.801 32.500 -1.179 0.000 1.155 167 K HN 0.777 nan 8.250 nan 0.000 0.428 168 A N 2.444 125.127 122.820 -0.229 0.000 2.440 168 A HA 0.076 4.391 4.320 -0.008 0.000 0.251 168 A C -0.188 177.462 177.584 0.111 0.000 1.089 168 A CA -0.459 51.573 52.037 -0.010 0.000 0.779 168 A CB 0.097 19.110 19.000 0.022 0.000 1.022 168 A HN 0.717 nan 8.150 nan 0.000 0.492 169 W N 2.188 123.555 121.300 0.113 0.000 2.385 169 W HA 0.262 4.918 4.660 -0.007 0.000 0.336 169 W C 1.032 177.708 176.519 0.262 0.000 1.351 169 W CA 2.092 59.607 57.345 0.283 0.000 1.295 169 W CB 0.311 29.903 29.460 0.220 0.000 1.239 169 W HN 1.388 nan 8.180 nan 0.000 0.565 170 G N 2.907 111.728 108.800 0.035 0.000 2.234 170 G HA2 -0.276 3.679 3.960 -0.008 0.000 0.235 170 G HA3 -0.276 3.679 3.960 -0.008 0.000 0.235 170 G C 0.434 175.418 174.900 0.140 0.000 0.997 170 G CA 0.126 45.263 45.100 0.061 0.000 0.623 170 G HN 0.549 nan 8.290 nan 0.000 0.514 171 S N 0.055 115.893 115.700 0.231 0.000 2.587 171 S HA 0.474 4.939 4.470 -0.008 0.000 0.260 171 S C 0.886 175.651 174.600 0.275 0.000 1.353 171 S CA 0.588 58.889 58.200 0.169 0.000 0.995 171 S CB 1.262 64.456 63.200 -0.010 0.000 0.912 171 S HN 0.921 nan 8.310 nan 0.000 0.568 172 S N 0.168 115.987 115.700 0.197 0.000 2.576 172 S HA 0.125 4.590 4.470 -0.008 0.000 0.276 172 S C 1.378 176.174 174.600 0.326 0.000 1.339 172 S CA -0.423 57.916 58.200 0.232 0.000 1.039 172 S CB 0.487 63.823 63.200 0.226 0.000 0.902 172 S HN 0.612 nan 8.310 nan 0.000 0.516 173 V N 3.315 123.357 119.914 0.212 0.000 2.719 173 V HA 0.159 4.274 4.120 -0.008 0.000 0.252 173 V C 0.463 176.581 176.094 0.039 0.000 1.065 173 V CA 0.451 62.849 62.300 0.162 0.000 1.086 173 V CB -1.424 30.294 31.823 -0.175 0.000 0.700 173 V HN 0.785 nan 8.190 nan 0.000 0.467 174 Y N 2.009 122.366 120.300 0.095 0.000 2.717 174 Y HA 0.448 4.993 4.550 -0.008 0.000 0.330 174 Y C 1.191 177.128 175.900 0.061 0.000 1.217 174 Y CA 0.253 58.394 58.100 0.069 0.000 1.506 174 Y CB -0.108 38.383 38.460 0.051 0.000 1.268 174 Y HN 0.361 nan 8.280 nan 0.000 0.561 175 A N 3.610 126.547 122.820 0.196 0.000 2.425 175 A HA 0.137 4.453 4.320 -0.008 0.000 0.242 175 A C 0.017 177.695 177.584 0.157 0.000 1.077 175 A CA -0.735 51.387 52.037 0.142 0.000 0.781 175 A CB 0.120 19.228 19.000 0.180 0.000 1.020 175 A HN 0.720 nan 8.150 nan 0.000 0.494 176 D N 1.543 122.013 120.400 0.116 0.000 2.354 176 D HA 0.358 4.993 4.640 -0.008 0.000 0.247 176 D C -2.252 174.245 176.300 0.327 0.000 1.138 176 D CA -1.000 53.098 54.000 0.163 0.000 0.958 176 D CB 0.296 41.131 40.800 0.058 0.000 1.144 176 D HN 0.351 nan 8.370 nan 0.000 0.458 177 P HA 0.001 nan 4.420 nan 0.000 0.262 177 P C 0.654 178.034 177.300 0.132 0.000 1.182 177 P CA 0.447 63.643 63.100 0.160 0.000 0.761 177 P CB 0.472 32.232 31.700 0.099 0.000 0.795 178 G N 1.574 110.370 108.800 -0.006 0.000 2.175 178 G HA2 -0.207 3.748 3.960 -0.008 0.000 0.244 178 G HA3 -0.207 3.748 3.960 -0.008 0.000 0.244 178 G C -0.457 174.147 174.900 -0.494 0.000 0.982 178 G CA -0.206 44.735 45.100 -0.264 0.000 0.641 178 G HN 0.524 nan 8.290 nan 0.000 0.527 179 Y N -0.371 119.956 120.300 0.046 0.000 2.665 179 Y HA 0.700 5.245 4.550 -0.008 0.000 0.336 179 Y C -0.051 175.894 175.900 0.075 0.000 1.085 179 Y CA -0.995 57.138 58.100 0.055 0.000 1.096 179 Y CB 1.478 39.967 38.460 0.049 0.000 1.301 179 Y HN 0.095 nan 8.280 nan 0.000 0.493 180 D N -0.781 119.778 120.400 0.265 0.000 2.457 180 D HA 0.317 4.952 4.640 -0.008 0.000 0.240 180 D C 0.159 176.560 176.300 0.168 0.000 1.041 180 D CA -0.452 53.665 54.000 0.195 0.000 0.861 180 D CB 1.097 42.009 40.800 0.186 0.000 1.394 180 D HN 0.409 nan 8.370 nan 0.000 0.473 181 N N 0.693 119.477 118.700 0.139 0.000 2.364 181 N HA -0.101 4.634 4.740 -0.008 0.000 0.183 181 N C 0.920 176.473 175.510 0.072 0.000 1.022 181 N CA 0.595 53.700 53.050 0.091 0.000 0.883 181 N CB 0.063 38.591 38.487 0.069 0.000 0.965 181 N HN 0.240 nan 8.380 nan 0.000 0.438 182 S N 0.013 115.778 115.700 0.109 0.000 2.562 182 S HA 0.213 4.678 4.470 -0.008 0.000 0.221 182 S C 1.275 175.880 174.600 0.009 0.000 0.975 182 S CA 0.136 58.398 58.200 0.103 0.000 0.918 182 S CB 0.358 63.660 63.200 0.171 0.000 0.772 182 S HN 0.255 nan 8.310 nan 0.000 0.531 183 L N 1.404 122.668 121.223 0.069 0.000 3.202 183 L HA 0.339 4.674 4.340 -0.008 0.000 0.278 183 L C -0.734 176.232 176.870 0.159 0.000 1.268 183 L CA -0.138 54.818 54.840 0.193 0.000 1.034 183 L CB 0.779 43.017 42.059 0.299 0.000 1.407 183 L HN 0.016 nan 8.230 nan 0.000 0.581 184 V N 0.675 120.527 119.914 -0.105 0.000 2.406 184 V HA 0.283 4.398 4.120 -0.008 0.000 0.272 184 V C -0.468 175.504 176.094 -0.202 0.000 1.043 184 V CA 0.005 62.287 62.300 -0.030 0.000 0.915 184 V CB 1.035 32.876 31.823 0.031 0.000 0.988 184 V HN 0.062 nan 8.190 nan 0.000 0.466 185 F N 4.682 124.670 119.950 0.062 0.000 2.434 185 F HA 0.498 5.020 4.527 -0.008 0.000 0.355 185 F C 0.476 176.362 175.800 0.144 0.000 1.115 185 F CA -0.809 57.281 58.000 0.151 0.000 1.010 185 F CB 1.227 40.273 39.000 0.078 0.000 1.234 185 F HN 0.339 nan 8.300 nan 0.000 0.439 186 F N 1.244 121.316 119.950 0.203 0.000 2.456 186 F HA 0.183 4.705 4.527 -0.008 0.000 0.298 186 F C 2.017 178.046 175.800 0.381 0.000 1.104 186 F CA 1.271 59.397 58.000 0.210 0.000 1.435 186 F CB -0.158 38.853 39.000 0.019 0.000 1.078 186 F HN 0.701 nan 8.300 nan 0.000 0.546 187 G N -0.837 108.292 108.800 0.549 0.000 2.231 187 G HA2 -0.155 3.800 3.960 -0.008 0.000 0.206 187 G HA3 -0.155 3.800 3.960 -0.008 0.000 0.206 187 G C 0.792 175.913 174.900 0.369 0.000 0.996 187 G CA -0.377 44.973 45.100 0.417 0.000 0.645 187 G HN 0.665 nan 8.290 nan 0.000 0.498 188 G N 0.794 109.879 108.800 0.475 0.000 2.414 188 G HA2 0.508 4.463 3.960 -0.008 0.000 0.236 188 G HA3 0.508 4.463 3.960 -0.008 0.000 0.236 188 G C 0.020 175.020 174.900 0.166 0.000 1.293 188 G CA 1.169 46.450 45.100 0.302 0.000 0.869 188 G HN 1.080 nan 8.290 nan 0.000 0.556 189 D N -0.011 120.422 120.400 0.055 0.000 2.652 189 D HA 0.214 4.849 4.640 -0.008 0.000 0.285 189 D C 1.241 177.514 176.300 -0.045 0.000 1.173 189 D CA -0.936 53.078 54.000 0.023 0.000 0.981 189 D CB 0.346 41.229 40.800 0.138 0.000 1.440 189 D HN 0.173 nan 8.370 nan 0.000 0.485 190 L N -0.102 121.106 121.223 -0.025 0.000 2.131 190 L HA -0.040 4.295 4.340 -0.008 0.000 0.210 190 L C 2.444 179.326 176.870 0.020 0.000 1.092 190 L CA 1.573 56.400 54.840 -0.021 0.000 0.759 190 L CB -0.721 41.347 42.059 0.015 0.000 0.903 190 L HN 0.630 nan 8.230 nan 0.000 0.435 191 A N 0.679 123.518 122.820 0.031 0.000 1.908 191 A HA -0.143 4.172 4.320 -0.008 0.000 0.218 191 A C 2.423 180.034 177.584 0.045 0.000 1.181 191 A CA 1.841 53.893 52.037 0.025 0.000 0.627 191 A CB -1.209 17.797 19.000 0.010 0.000 0.818 191 A HN 0.434 nan 8.150 nan 0.000 0.445 192 G N 0.117 108.957 108.800 0.066 0.000 2.433 192 G HA2 -0.212 3.743 3.960 -0.008 0.000 0.216 192 G HA3 -0.212 3.743 3.960 -0.008 0.000 0.216 192 G C 1.533 176.559 174.900 0.209 0.000 1.186 192 G CA 1.119 46.342 45.100 0.203 0.000 0.779 192 G HN 0.474 nan 8.290 nan 0.000 0.543 193 I N 0.998 121.703 120.570 0.226 0.000 2.194 193 I HA -0.224 3.941 4.170 -0.008 0.000 0.246 193 I C 2.479 178.677 176.117 0.135 0.000 1.093 193 I CA 1.631 63.096 61.300 0.274 0.000 1.355 193 I CB -0.279 37.803 38.000 0.138 0.000 1.046 193 I HN 0.136 nan 8.210 nan 0.000 0.413 194 D N 0.768 121.206 120.400 0.062 0.000 2.123 194 D HA -0.212 4.423 4.640 -0.008 0.000 0.196 194 D C 2.195 178.492 176.300 -0.005 0.000 0.992 194 D CA 1.540 55.549 54.000 0.016 0.000 0.833 194 D CB -0.026 40.774 40.800 0.001 0.000 0.954 194 D HN 0.413 nan 8.370 nan 0.000 0.455 195 Q N -0.857 118.934 119.800 -0.016 0.000 2.311 195 Q HA -0.003 4.332 4.340 -0.008 0.000 0.203 195 Q C 1.205 177.106 176.000 -0.165 0.000 0.954 195 Q CA 0.643 56.395 55.803 -0.085 0.000 0.885 195 Q CB 0.304 28.992 28.738 -0.083 0.000 0.963 195 Q HN 0.045 nan 8.270 nan 0.000 0.471 196 K N 0.259 120.578 120.400 -0.135 0.000 2.410 196 K HA 0.080 4.395 4.320 -0.008 0.000 0.200 196 K C 1.185 177.843 176.600 0.096 0.000 1.023 196 K CA -0.020 56.193 56.287 -0.123 0.000 1.149 196 K CB 0.442 32.830 32.500 -0.188 0.000 0.859 196 K HN 0.102 nan 8.250 nan 0.000 0.514 197 L N 0.677 121.925 121.223 0.041 0.000 2.127 197 L HA -0.085 4.250 4.340 -0.008 0.000 0.211 197 L C 2.099 178.974 176.870 0.008 0.000 1.089 197 L CA 1.756 56.610 54.840 0.025 0.000 0.757 197 L CB -0.997 41.056 42.059 -0.009 0.000 0.899 197 L HN 0.281 nan 8.230 nan 0.000 0.434 198 G N -1.997 106.809 108.800 0.010 0.000 2.418 198 G HA2 -0.372 3.583 3.960 -0.008 0.000 0.217 198 G HA3 -0.372 3.583 3.960 -0.008 0.000 0.217 198 G C 1.628 176.555 174.900 0.045 0.000 1.158 198 G CA 0.867 45.972 45.100 0.009 0.000 0.771 198 G HN 0.449 nan 8.290 nan 0.000 0.545 199 Y N 1.399 121.698 120.300 -0.002 0.000 2.181 199 Y HA -0.074 4.471 4.550 -0.009 0.000 0.288 199 Y C 2.518 178.419 175.900 0.002 0.000 1.146 199 Y CA 1.309 59.444 58.100 0.059 0.000 1.164 199 Y CB -0.221 38.364 38.460 0.208 0.000 0.982 199 Y HN 0.200 nan 8.280 nan 0.000 0.515 200 I N 0.181 120.649 120.570 -0.170 0.000 2.133 200 I HA -0.297 3.868 4.170 -0.008 0.000 0.238 200 I C 2.106 178.059 176.117 -0.275 0.000 1.074 200 I CA 1.867 62.938 61.300 -0.382 0.000 1.342 200 I CB -0.404 37.443 38.000 -0.256 0.000 1.053 200 I HN 0.089 nan 8.210 nan 0.000 0.404 201 K N 0.143 120.456 120.400 -0.144 0.000 2.418 201 K HA 0.006 4.321 4.320 -0.008 0.000 0.195 201 K C 1.689 178.240 176.600 -0.082 0.000 1.035 201 K CA 0.604 56.834 56.287 -0.095 0.000 1.003 201 K CB 0.297 32.761 32.500 -0.060 0.000 0.793 201 K HN 0.283 nan 8.250 nan 0.000 0.494 202 K N -1.010 119.335 120.400 -0.092 0.000 2.363 202 K HA 0.115 4.430 4.320 -0.008 0.000 0.215 202 K C 1.930 178.484 176.600 -0.076 0.000 1.179 202 K CA 0.448 56.697 56.287 -0.062 0.000 0.856 202 K CB 0.066 32.547 32.500 -0.032 0.000 1.371 202 K HN -0.158 nan 8.250 nan 0.000 0.455 203 T N 2.746 117.249 114.554 -0.086 0.000 2.624 203 T HA -0.149 4.196 4.350 -0.008 0.000 0.268 203 T C 1.866 176.479 174.700 -0.144 0.000 1.041 203 T CA 1.450 63.506 62.100 -0.073 0.000 1.159 203 T CB -0.187 68.684 68.868 0.005 0.000 0.863 203 T HN 0.056 nan 8.240 nan 0.000 0.434 204 L N -0.756 120.289 121.223 -0.296 0.000 2.121 204 L HA 0.297 4.633 4.340 -0.008 0.000 0.200 204 L C 2.332 179.136 176.870 -0.111 0.000 1.077 204 L CA 0.989 55.700 54.840 -0.213 0.000 0.766 204 L CB -0.359 41.506 42.059 -0.324 0.000 0.931 204 L HN 0.571 nan 8.230 nan 0.000 0.452 205 G N -0.580 108.147 108.800 -0.121 0.000 2.205 205 G HA2 -0.162 3.793 3.960 -0.008 0.000 0.180 205 G HA3 -0.162 3.793 3.960 -0.008 0.000 0.180 205 G C 0.357 175.240 174.900 -0.029 0.000 1.004 205 G CA -0.154 44.911 45.100 -0.058 0.000 0.670 205 G HN 0.488 nan 8.290 nan 0.000 0.496 206 A N 0.517 123.313 122.820 -0.039 0.000 2.498 206 A HA 0.574 4.889 4.320 -0.008 0.000 0.239 206 A C 0.982 178.584 177.584 0.030 0.000 1.068 206 A CA 1.030 53.081 52.037 0.023 0.000 0.766 206 A CB -0.051 18.982 19.000 0.055 0.000 1.003 206 A HN 1.215 nan 8.150 nan 0.000 0.497 207 N N 0.532 119.286 118.700 0.091 0.000 2.177 207 N HA 0.325 5.060 4.740 -0.008 0.000 0.218 207 N C -0.718 174.908 175.510 0.193 0.000 1.182 207 N CA -0.283 52.837 53.050 0.117 0.000 0.882 207 N CB 0.323 38.903 38.487 0.155 0.000 1.052 207 N HN 0.498 nan 8.380 nan 0.000 0.519 208 I N 1.233 121.919 120.570 0.193 0.000 2.499 208 I HA 0.343 4.508 4.170 -0.008 0.000 0.288 208 I C -1.362 174.868 176.117 0.189 0.000 1.048 208 I CA -1.005 60.434 61.300 0.231 0.000 1.062 208 I CB 1.984 40.164 38.000 0.300 0.000 1.238 208 I HN -0.077 nan 8.210 nan 0.000 0.426 209 L N 6.683 127.995 121.223 0.148 0.000 2.317 209 L HA 0.461 4.796 4.340 -0.008 0.000 0.281 209 L C -0.846 176.111 176.870 0.146 0.000 1.024 209 L CA -0.597 54.314 54.840 0.119 0.000 0.810 209 L CB 1.187 43.266 42.059 0.033 0.000 1.240 209 L HN 0.398 nan 8.230 nan 0.000 0.427 210 Y N 4.055 124.342 120.300 -0.023 0.000 2.338 210 Y HA 0.716 5.261 4.550 -0.008 0.000 0.333 210 Y C -1.632 174.186 175.900 -0.137 0.000 0.968 210 Y CA -1.530 56.530 58.100 -0.067 0.000 1.123 210 Y CB 1.007 39.441 38.460 -0.044 0.000 1.165 210 Y HN 0.436 nan 8.280 nan 0.000 0.452 211 L N 5.729 126.772 121.223 -0.299 0.000 2.325 211 L HA 0.494 4.829 4.340 -0.008 0.000 0.278 211 L C -0.008 176.484 176.870 -0.628 0.000 1.023 211 L CA -1.010 53.511 54.840 -0.531 0.000 0.811 211 L CB 1.637 43.471 42.059 -0.376 0.000 1.249 211 L HN 0.672 nan 8.230 nan 0.000 0.431 212 N N 1.771 120.051 118.700 -0.700 0.000 2.326 212 N HA 0.163 4.899 4.740 -0.008 0.000 0.239 212 N C -2.498 172.677 175.510 -0.559 0.000 1.301 212 N CA -0.791 51.894 53.050 -0.608 0.000 0.909 212 N CB 0.049 38.158 38.487 -0.630 0.000 1.156 212 N HN 0.376 nan 8.380 nan 0.000 0.462 213 P HA -0.110 nan 4.420 nan 0.000 0.261 213 P C -0.031 177.018 177.300 -0.419 0.000 1.158 213 P CA 0.846 63.591 63.100 -0.592 0.000 0.758 213 P CB 0.136 31.406 31.700 -0.717 0.000 0.763 214 I N -1.735 118.521 120.570 -0.524 0.000 4.240 214 I HA 0.292 4.458 4.170 -0.008 0.000 0.331 214 I C -0.226 175.805 176.117 -0.142 0.000 1.381 214 I CA -0.205 60.980 61.300 -0.191 0.000 1.136 214 I CB 0.095 37.935 38.000 -0.265 0.000 1.137 214 I HN -0.084 nan 8.210 nan 0.000 0.411 215 F N 2.199 122.120 119.950 -0.048 0.000 2.378 215 F HA 0.404 4.926 4.527 -0.009 0.000 0.319 215 F C 1.037 176.747 175.800 -0.150 0.000 1.155 215 F CA -1.262 56.696 58.000 -0.071 0.000 1.157 215 F CB 0.305 39.270 39.000 -0.058 0.000 1.252 215 F HN -0.128 nan 8.300 nan 0.000 0.550 216 K N 1.279 121.717 120.400 0.064 0.000 2.466 216 K HA 0.388 4.703 4.320 -0.008 0.000 0.278 216 K C -0.841 175.680 176.600 -0.132 0.000 1.048 216 K CA 0.277 56.513 56.287 -0.085 0.000 1.088 216 K CB -0.280 32.168 32.500 -0.086 0.000 0.884 216 K HN 0.792 nan 8.250 nan 0.000 0.478 217 A N 5.483 128.198 122.820 -0.175 0.000 2.594 217 A HA 0.387 4.703 4.320 -0.008 0.000 0.296 217 A C -2.453 175.016 177.584 -0.192 0.000 1.061 217 A CA -1.086 50.846 52.037 -0.176 0.000 0.689 217 A CB 1.542 20.437 19.000 -0.174 0.000 1.280 217 A HN 0.586 nan 8.150 nan 0.000 0.406 218 P HA 0.001 nan 4.420 nan 0.000 0.231 218 P C 0.894 178.218 177.300 0.041 0.000 1.168 218 P CA 1.472 64.483 63.100 -0.147 0.000 0.779 218 P CB -0.074 31.452 31.700 -0.290 0.000 0.844 219 T N -2.875 111.577 114.554 -0.170 0.000 2.833 219 T HA 0.211 4.556 4.350 -0.008 0.000 0.292 219 T C 1.237 175.826 174.700 -0.184 0.000 1.031 219 T CA -0.333 61.644 62.100 -0.206 0.000 0.937 219 T CB 0.176 68.666 68.868 -0.631 0.000 1.256 219 T HN -0.053 nan 8.240 nan 0.000 0.551 220 N N 0.375 118.845 118.700 -0.384 0.000 2.148 220 N HA -0.123 4.612 4.740 -0.008 0.000 0.186 220 N C 2.098 177.520 175.510 -0.147 0.000 1.031 220 N CA 1.047 53.876 53.050 -0.369 0.000 0.848 220 N CB -0.279 38.124 38.487 -0.140 0.000 1.005 220 N HN 0.749 nan 8.380 nan 0.000 0.427 221 H N 0.894 120.004 119.070 0.067 0.000 2.395 221 H HA 0.130 4.681 4.556 -0.008 0.000 0.299 221 H C 0.083 175.334 175.328 -0.129 0.000 1.070 221 H CA 0.912 56.987 56.048 0.045 0.000 1.356 221 H CB 0.013 30.034 29.762 0.431 0.000 1.401 221 H HN 0.020 nan 8.280 nan 0.000 0.524 222 K N -0.333 119.828 120.400 -0.398 0.000 3.161 222 K HA -0.211 4.104 4.320 -0.008 0.000 0.270 222 K C -0.550 175.960 176.600 -0.151 0.000 1.115 222 K CA 0.662 56.786 56.287 -0.271 0.000 0.789 222 K CB -2.057 30.295 32.500 -0.246 0.000 1.256 222 K HN 0.379 nan 8.250 nan 0.000 0.492 223 Y N 0.841 121.273 120.300 0.220 0.000 2.482 223 Y HA -0.020 4.525 4.550 -0.008 0.000 0.270 223 Y C 1.297 177.299 175.900 0.169 0.000 1.152 223 Y CA 0.496 58.716 58.100 0.199 0.000 1.292 223 Y CB 0.420 39.023 38.460 0.240 0.000 1.070 223 Y HN 0.225 nan 8.280 nan 0.000 0.528 224 D N -0.041 120.490 120.400 0.219 0.000 2.943 224 D HA 0.034 4.669 4.640 -0.008 0.000 0.249 224 D C -0.283 176.036 176.300 0.031 0.000 1.231 224 D CA -0.181 53.913 54.000 0.157 0.000 0.979 224 D CB -0.419 40.445 40.800 0.107 0.000 1.053 224 D HN -0.077 nan 8.370 nan 0.000 0.504 225 T N 0.853 115.395 114.554 -0.019 0.000 2.891 225 T HA -0.096 4.249 4.350 -0.008 0.000 0.296 225 T C 1.003 175.633 174.700 -0.117 0.000 1.025 225 T CA 0.371 62.358 62.100 -0.188 0.000 1.149 225 T CB 1.689 70.226 68.868 -0.552 0.000 1.007 225 T HN 0.451 nan 8.240 nan 0.000 0.528 226 Q N 1.176 120.874 119.800 -0.170 0.000 2.431 226 Q HA 0.088 4.423 4.340 -0.008 0.000 0.244 226 Q C -0.293 175.398 176.000 -0.515 0.000 0.880 226 Q CA 0.209 55.888 55.803 -0.206 0.000 0.954 226 Q CB 0.795 29.467 28.738 -0.111 0.000 1.105 226 Q HN 0.633 nan 8.270 nan 0.000 0.558 227 D N -0.868 119.303 120.400 -0.383 0.000 2.452 227 D HA 0.098 4.733 4.640 -0.008 0.000 0.226 227 D C -0.697 175.469 176.300 -0.223 0.000 1.366 227 D CA -0.400 53.381 54.000 -0.364 0.000 0.986 227 D CB 0.354 40.994 40.800 -0.266 0.000 1.420 227 D HN 0.087 nan 8.370 nan 0.000 0.583 228 Y N 1.879 122.097 120.300 -0.138 0.000 2.421 228 Y HA -0.059 4.486 4.550 -0.008 0.000 0.292 228 Y C 2.047 177.670 175.900 -0.462 0.000 1.136 228 Y CA 0.652 58.583 58.100 -0.282 0.000 1.255 228 Y CB 0.083 38.482 38.460 -0.102 0.000 0.991 228 Y HN 0.395 nan 8.280 nan 0.000 0.552 229 M N -0.612 118.954 119.600 -0.057 0.000 2.561 229 M HA 0.292 4.767 4.480 -0.008 0.000 0.238 229 M C 0.355 176.660 176.300 0.009 0.000 1.131 229 M CA 0.001 55.280 55.300 -0.035 0.000 1.046 229 M CB -0.999 31.590 32.600 -0.017 0.000 1.532 229 M HN 0.059 nan 8.290 nan 0.000 0.497 230 A N 0.482 123.314 122.820 0.019 0.000 2.374 230 A HA 0.641 4.956 4.320 -0.008 0.000 0.305 230 A C -0.325 177.385 177.584 0.211 0.000 1.053 230 A CA -0.649 51.450 52.037 0.103 0.000 0.726 230 A CB 1.419 20.444 19.000 0.042 0.000 1.229 230 A HN -0.016 nan 8.150 nan 0.000 0.431 231 V N 2.924 122.997 119.914 0.264 0.000 2.655 231 V HA 0.016 4.131 4.120 -0.008 0.000 0.300 231 V C 0.748 176.919 176.094 0.129 0.000 1.044 231 V CA -0.049 62.419 62.300 0.280 0.000 1.095 231 V CB 0.901 32.876 31.823 0.253 0.000 0.952 231 V HN 0.936 nan 8.190 nan 0.000 0.485 232 D N 7.781 128.208 120.400 0.044 0.000 2.458 232 D HA 0.035 4.670 4.640 -0.008 0.000 0.243 232 D C -1.164 175.060 176.300 -0.127 0.000 1.146 232 D CA -1.342 52.577 54.000 -0.135 0.000 0.877 232 D CB 1.791 42.361 40.800 -0.383 0.000 1.176 232 D HN 0.293 nan 8.370 nan 0.000 0.461 233 P HA -0.210 nan 4.420 nan 0.000 0.217 233 P C 0.939 178.203 177.300 -0.060 0.000 1.148 233 P CA 1.320 64.380 63.100 -0.067 0.000 0.834 233 P CB 0.075 31.725 31.700 -0.082 0.000 0.783 234 A N -1.400 121.325 122.820 -0.159 0.000 2.121 234 A HA -0.035 4.280 4.320 -0.008 0.000 0.218 234 A C 1.921 179.605 177.584 0.166 0.000 1.154 234 A CA 0.800 52.787 52.037 -0.084 0.000 0.679 234 A CB -1.415 17.466 19.000 -0.197 0.000 0.795 234 A HN 0.233 nan 8.150 nan 0.000 0.458 235 F N -1.582 118.384 119.950 0.026 0.000 2.720 235 F HA 0.395 4.917 4.527 -0.008 0.000 0.301 235 F C 1.480 177.292 175.800 0.019 0.000 1.103 235 F CA 0.059 58.070 58.000 0.018 0.000 1.291 235 F CB 0.609 39.602 39.000 -0.012 0.000 1.086 235 F HN 0.468 nan 8.300 nan 0.000 0.592 236 G N 1.014 109.926 108.800 0.187 0.000 2.280 236 G HA2 -0.060 3.895 3.960 -0.008 0.000 0.277 236 G HA3 -0.060 3.895 3.960 -0.008 0.000 0.277 236 G C -2.026 172.938 174.900 0.107 0.000 1.288 236 G CA -0.367 44.806 45.100 0.122 0.000 1.075 236 G HN 0.098 nan 8.290 nan 0.000 0.480 237 D N -0.884 119.578 120.400 0.104 0.000 2.654 237 D HA 0.427 5.062 4.640 -0.008 0.000 0.255 237 D C 0.695 177.089 176.300 0.155 0.000 1.101 237 D CA -0.720 53.346 54.000 0.111 0.000 1.116 237 D CB 0.685 41.532 40.800 0.078 0.000 1.348 237 D HN 0.200 nan 8.370 nan 0.000 0.609 238 N N -0.641 118.169 118.700 0.183 0.000 2.364 238 N HA -0.141 4.594 4.740 -0.008 0.000 0.183 238 N C 1.723 177.364 175.510 0.219 0.000 1.022 238 N CA 1.517 54.734 53.050 0.279 0.000 0.883 238 N CB -0.112 38.565 38.487 0.317 0.000 0.965 238 N HN 0.497 nan 8.380 nan 0.000 0.438 239 S N -1.391 114.380 115.700 0.118 0.000 2.395 239 S HA -0.036 4.429 4.470 -0.008 0.000 0.225 239 S C 1.891 176.526 174.600 0.057 0.000 1.027 239 S CA 1.062 59.295 58.200 0.056 0.000 0.965 239 S CB -0.679 62.540 63.200 0.031 0.000 0.812 239 S HN 0.155 nan 8.310 nan 0.000 0.482 240 T N 3.237 117.838 114.554 0.077 0.000 2.708 240 T HA 0.026 4.371 4.350 -0.008 0.000 0.266 240 T C 1.708 176.453 174.700 0.074 0.000 1.037 240 T CA 1.336 63.475 62.100 0.065 0.000 1.146 240 T CB -0.646 68.269 68.868 0.078 0.000 0.865 240 T HN 0.276 nan 8.240 nan 0.000 0.435 241 L N 0.812 122.114 121.223 0.132 0.000 2.012 241 L HA -0.234 4.101 4.340 -0.008 0.000 0.210 241 L C 2.751 179.696 176.870 0.126 0.000 1.073 241 L CA 1.798 56.734 54.840 0.161 0.000 0.748 241 L CB -0.467 41.777 42.059 0.308 0.000 0.891 241 L HN 0.407 nan 8.230 nan 0.000 0.431 242 Q N -1.382 118.483 119.800 0.109 0.000 2.170 242 Q HA -0.189 4.146 4.340 -0.008 0.000 0.203 242 Q C 1.929 177.906 176.000 -0.038 0.000 0.976 242 Q CA 2.038 57.837 55.803 -0.007 0.000 0.858 242 Q CB -0.101 28.567 28.738 -0.116 0.000 0.907 242 Q HN 0.508 nan 8.270 nan 0.000 0.433 243 T N 1.084 115.626 114.554 -0.019 0.000 2.812 243 T HA -0.084 4.261 4.350 -0.008 0.000 0.264 243 T C 1.686 176.358 174.700 -0.045 0.000 1.042 243 T CA 0.655 62.735 62.100 -0.033 0.000 1.140 243 T CB -0.147 68.710 68.868 -0.017 0.000 0.870 243 T HN 0.128 nan 8.240 nan 0.000 0.445 244 L N 1.491 122.694 121.223 -0.032 0.000 1.994 244 L HA 0.021 4.356 4.340 -0.008 0.000 0.208 244 L C 2.127 178.933 176.870 -0.107 0.000 1.071 244 L CA 1.622 56.433 54.840 -0.049 0.000 0.745 244 L CB -0.777 41.264 42.059 -0.029 0.000 0.892 244 L HN 0.257 nan 8.230 nan 0.000 0.431 245 I N -0.053 120.438 120.570 -0.131 0.000 2.163 245 I HA -0.356 3.810 4.170 -0.008 0.000 0.243 245 I C 2.064 177.944 176.117 -0.395 0.000 1.085 245 I CA 1.670 62.794 61.300 -0.292 0.000 1.347 245 I CB -0.612 37.249 38.000 -0.231 0.000 1.044 245 I HN 0.393 nan 8.210 nan 0.000 0.408 246 N N 0.857 119.428 118.700 -0.214 0.000 2.166 246 N HA -0.181 4.555 4.740 -0.008 0.000 0.186 246 N C 1.386 176.832 175.510 -0.107 0.000 1.019 246 N CA 1.341 54.307 53.050 -0.141 0.000 0.856 246 N CB -0.274 38.164 38.487 -0.080 0.000 0.993 246 N HN 0.294 nan 8.380 nan 0.000 0.426 247 D N -0.025 120.315 120.400 -0.102 0.000 2.224 247 D HA 0.019 4.654 4.640 -0.008 0.000 0.205 247 D C 1.883 178.133 176.300 -0.083 0.000 0.965 247 D CA 0.402 54.357 54.000 -0.075 0.000 0.852 247 D CB -0.059 40.706 40.800 -0.059 0.000 0.947 247 D HN 0.310 nan 8.370 nan 0.000 0.494 248 I N 0.174 120.668 120.570 -0.127 0.000 2.252 248 I HA -0.224 3.942 4.170 -0.008 0.000 0.245 248 I C 2.006 178.079 176.117 -0.074 0.000 1.102 248 I CA 1.084 62.314 61.300 -0.117 0.000 1.385 248 I CB -0.221 37.683 38.000 -0.160 0.000 1.064 248 I HN 0.128 nan 8.210 nan 0.000 0.414 249 H N -0.753 118.207 119.070 -0.184 0.000 2.462 249 H HA -0.002 4.549 4.556 -0.009 0.000 0.292 249 H C 1.592 176.802 175.328 -0.196 0.000 1.049 249 H CA -0.027 55.874 56.048 -0.245 0.000 1.334 249 H CB 0.168 29.805 29.762 -0.208 0.000 1.404 249 H HN 0.177 nan 8.280 nan 0.000 0.544 250 S N 0.820 116.510 115.700 -0.016 0.000 2.563 250 S HA -0.049 4.416 4.470 -0.008 0.000 0.284 250 S C 1.417 175.981 174.600 -0.061 0.000 1.331 250 S CA 0.283 58.458 58.200 -0.042 0.000 1.047 250 S CB 0.620 63.796 63.200 -0.041 0.000 0.859 250 S HN 0.499 nan 8.310 nan 0.000 0.514 251 T N 1.121 115.640 114.554 -0.057 0.000 3.129 251 T HA 0.473 4.818 4.350 -0.008 0.000 0.267 251 T C 0.989 175.664 174.700 -0.043 0.000 1.018 251 T CA 0.119 62.186 62.100 -0.055 0.000 0.903 251 T CB 0.241 69.076 68.868 -0.056 0.000 1.067 251 T HN 0.589 nan 8.240 nan 0.000 0.549 252 A N 2.666 125.462 122.820 -0.040 0.000 2.195 252 A HA 0.213 4.528 4.320 -0.008 0.000 0.210 252 A C 1.724 179.288 177.584 -0.033 0.000 1.165 252 A CA 0.451 52.468 52.037 -0.034 0.000 0.806 252 A CB -0.520 18.461 19.000 -0.032 0.000 0.847 252 A HN 0.808 nan 8.150 nan 0.000 0.482 253 N N -1.802 116.876 118.700 -0.036 0.000 2.200 253 N HA 0.437 5.172 4.740 -0.008 0.000 0.224 253 N C 0.561 176.050 175.510 -0.036 0.000 1.179 253 N CA 0.274 53.303 53.050 -0.035 0.000 0.877 253 N CB 0.789 39.254 38.487 -0.037 0.000 1.072 253 N HN 0.393 nan 8.380 nan 0.000 0.519 254 G N 0.892 109.670 108.800 -0.037 0.000 2.278 254 G HA2 -0.003 3.952 3.960 -0.008 0.000 0.265 254 G HA3 -0.003 3.952 3.960 -0.008 0.000 0.265 254 G C -3.161 171.716 174.900 -0.040 0.000 1.329 254 G CA -1.022 44.056 45.100 -0.036 0.000 1.017 254 G HN 0.012 nan 8.290 nan 0.000 0.472 255 P HA 0.281 nan 4.420 nan 0.000 0.270 255 P C -0.283 176.979 177.300 -0.064 0.000 1.223 255 P CA -0.181 62.899 63.100 -0.033 0.000 0.785 255 P CB 0.517 32.211 31.700 -0.009 0.000 0.923 256 K N 1.476 121.821 120.400 -0.091 0.000 2.451 256 K HA 0.266 4.581 4.320 -0.008 0.000 0.280 256 K C 0.358 176.791 176.600 -0.279 0.000 1.020 256 K CA 0.044 56.212 56.287 -0.198 0.000 1.008 256 K CB -0.167 32.187 32.500 -0.244 0.000 0.917 256 K HN 0.649 nan 8.250 nan 0.000 0.478 257 G N 2.567 111.173 108.800 -0.325 0.000 2.552 257 G HA2 0.489 4.444 3.960 -0.008 0.000 0.318 257 G HA3 0.489 4.444 3.960 -0.008 0.000 0.318 257 G C -1.606 172.922 174.900 -0.620 0.000 1.240 257 G CA -0.580 44.349 45.100 -0.285 0.000 1.002 257 G HN 0.582 nan 8.290 nan 0.000 0.493 258 Y N -1.325 118.898 120.300 -0.128 0.000 2.504 258 Y HA 0.501 5.047 4.550 -0.007 0.000 0.344 258 Y C -0.348 175.484 175.900 -0.113 0.000 1.023 258 Y CA -0.814 57.123 58.100 -0.271 0.000 1.020 258 Y CB 2.578 40.571 38.460 -0.778 0.000 1.282 258 Y HN 0.402 nan 8.280 nan 0.000 0.454 259 L N 4.985 126.243 121.223 0.059 0.000 2.333 259 L HA 0.669 5.004 4.340 -0.008 0.000 0.280 259 L C -1.425 175.465 176.870 0.033 0.000 1.004 259 L CA -0.651 54.204 54.840 0.025 0.000 0.820 259 L CB 1.042 43.071 42.059 -0.051 0.000 1.247 259 L HN 0.678 nan 8.230 nan 0.000 0.416 260 I N 5.620 126.227 120.570 0.061 0.000 2.406 260 I HA 0.381 4.546 4.170 -0.008 0.000 0.290 260 I C -0.509 175.619 176.117 0.019 0.000 0.999 260 I CA -0.554 60.771 61.300 0.042 0.000 1.124 260 I CB 2.010 40.072 38.000 0.103 0.000 1.289 260 I HN 0.467 nan 8.210 nan 0.000 0.441 261 L N 4.335 125.464 121.223 -0.156 0.000 2.334 261 L HA 0.474 4.809 4.340 -0.008 0.000 0.270 261 L C -0.163 176.762 176.870 0.092 0.000 1.018 261 L CA -0.786 53.956 54.840 -0.162 0.000 0.811 261 L CB 1.437 43.202 42.059 -0.490 0.000 1.271 261 L HN 0.499 nan 8.230 nan 0.000 0.443 262 D N 1.121 121.574 120.400 0.089 0.000 2.295 262 D HA 0.285 4.920 4.640 -0.008 0.000 0.248 262 D C -0.219 176.165 176.300 0.140 0.000 1.154 262 D CA -0.018 54.060 54.000 0.130 0.000 0.857 262 D CB 1.751 42.551 40.800 0.000 0.000 1.117 262 D HN 0.633 nan 8.370 nan 0.000 0.468 263 G N 2.669 111.492 108.800 0.038 0.000 2.415 263 G HA2 0.399 4.355 3.960 -0.008 0.000 0.317 263 G HA3 0.399 4.355 3.960 -0.008 0.000 0.317 263 G C -0.234 174.029 174.900 -1.061 0.000 1.152 263 G CA -0.488 44.173 45.100 -0.732 0.000 0.956 263 G HN 0.355 nan 8.290 nan 0.000 0.458 264 V N 3.919 123.454 119.914 -0.631 0.000 2.284 264 V HA 0.218 4.333 4.120 -0.008 0.000 0.260 264 V C -0.039 175.953 176.094 -0.170 0.000 1.084 264 V CA -0.383 61.725 62.300 -0.321 0.000 0.894 264 V CB -0.288 31.488 31.823 -0.078 0.000 1.119 264 V HN 0.670 nan 8.190 nan 0.000 0.484 265 F N 1.165 121.131 119.950 0.026 0.000 2.678 265 F HA 0.213 4.735 4.527 -0.008 0.000 0.305 265 F C 1.899 177.784 175.800 0.141 0.000 1.090 265 F CA -0.421 57.615 58.000 0.059 0.000 1.272 265 F CB -0.374 38.652 39.000 0.043 0.000 1.060 265 F HN 0.469 nan 8.300 nan 0.000 0.576 266 N N 0.269 119.084 118.700 0.192 0.000 2.416 266 N HA -0.089 4.646 4.740 -0.008 0.000 0.177 266 N C -0.062 175.657 175.510 0.349 0.000 1.036 266 N CA 0.744 53.978 53.050 0.307 0.000 0.901 266 N CB 0.228 38.950 38.487 0.392 0.000 0.976 266 N HN 0.376 nan 8.380 nan 0.000 0.444 267 H N -2.349 116.904 119.070 0.304 0.000 2.967 267 H HA 0.237 4.789 4.556 -0.008 0.000 0.318 267 H C -1.046 174.464 175.328 0.304 0.000 1.375 267 H CA -0.680 55.538 56.048 0.284 0.000 1.132 267 H CB 1.012 30.929 29.762 0.258 0.000 1.848 267 H HN -0.023 nan 8.280 nan 0.000 0.524 268 T N -1.454 113.348 114.554 0.413 0.000 2.905 268 T HA 0.634 4.979 4.350 -0.008 0.000 0.283 268 T C 0.658 175.511 174.700 0.255 0.000 1.031 268 T CA -0.362 61.908 62.100 0.284 0.000 1.002 268 T CB 1.620 70.606 68.868 0.198 0.000 1.200 268 T HN 0.851 nan 8.240 nan 0.000 0.560 269 G N 0.021 108.925 108.800 0.174 0.000 2.537 269 G HA2 0.381 4.336 3.960 -0.008 0.000 0.273 269 G HA3 0.381 4.336 3.960 -0.008 0.000 0.273 269 G C 0.507 175.483 174.900 0.126 0.000 1.189 269 G CA -0.320 44.879 45.100 0.165 0.000 0.881 269 G HN 0.846 nan 8.290 nan 0.000 0.535 270 D N -1.375 119.115 120.400 0.150 0.000 2.371 270 D HA -0.127 4.508 4.640 -0.008 0.000 0.221 270 D C 1.903 178.397 176.300 0.324 0.000 0.986 270 D CA 0.977 55.030 54.000 0.087 0.000 0.899 270 D CB -0.064 40.809 40.800 0.122 0.000 0.902 270 D HN 0.307 nan 8.370 nan 0.000 0.530 271 S N -1.477 114.461 115.700 0.397 0.000 2.557 271 S HA 0.043 4.508 4.470 -0.008 0.000 0.223 271 S C 0.396 175.197 174.600 0.335 0.000 0.969 271 S CA -0.734 57.734 58.200 0.446 0.000 0.927 271 S CB -0.840 62.636 63.200 0.461 0.000 0.806 271 S HN 0.411 nan 8.310 nan 0.000 0.489 272 H N 3.328 122.479 119.070 0.135 0.000 2.732 272 H HA 0.249 4.800 4.556 -0.008 0.000 0.351 272 H C -1.338 173.907 175.328 -0.139 0.000 1.090 272 H CA -1.183 54.817 56.048 -0.079 0.000 1.431 272 H CB 1.062 30.753 29.762 -0.118 0.000 1.447 272 H HN -0.023 nan 8.280 nan 0.000 0.582 273 P HA -0.226 nan 4.420 nan 0.000 0.218 273 P C 0.853 178.016 177.300 -0.227 0.000 1.146 273 P CA 1.237 63.923 63.100 -0.689 0.000 0.813 273 P CB 0.120 30.960 31.700 -1.434 0.000 0.778 274 W N -1.446 119.825 121.300 -0.047 0.000 2.465 274 W HA 0.001 4.656 4.660 -0.008 0.000 0.268 274 W C 2.164 178.892 176.519 0.350 0.000 1.242 274 W CA 0.355 57.599 57.345 -0.168 0.000 1.248 274 W CB -1.438 27.972 29.460 -0.082 0.000 1.118 274 W HN -0.013 nan 8.180 nan 0.000 0.587 275 F N 0.303 120.448 119.950 0.324 0.000 2.532 275 F HA 0.077 4.599 4.527 -0.008 0.000 0.278 275 F C 0.535 176.432 175.800 0.162 0.000 0.975 275 F CA 0.862 58.906 58.000 0.073 0.000 1.292 275 F CB -0.270 38.572 39.000 -0.263 0.000 1.112 275 F HN -0.345 nan 8.300 nan 0.000 0.703 276 D N 1.509 122.107 120.400 0.330 0.000 2.735 276 D HA -0.272 4.363 4.640 -0.008 0.000 0.235 276 D C 1.090 177.470 176.300 0.133 0.000 1.175 276 D CA 0.754 54.922 54.000 0.280 0.000 0.683 276 D CB -0.783 40.203 40.800 0.310 0.000 1.008 276 D HN 0.481 nan 8.370 nan 0.000 0.416 277 K N -0.366 120.014 120.400 -0.034 0.000 2.283 277 K HA -0.153 4.162 4.320 -0.008 0.000 0.202 277 K C 1.121 177.373 176.600 -0.581 0.000 1.048 277 K CA 1.063 56.984 56.287 -0.611 0.000 0.948 277 K CB -0.001 31.934 32.500 -0.941 0.000 0.742 277 K HN 0.503 nan 8.250 nan 0.000 0.458 278 Y N -0.352 119.972 120.300 0.040 0.000 2.467 278 Y HA 0.184 4.729 4.550 -0.008 0.000 0.250 278 Y C 0.011 175.951 175.900 0.066 0.000 1.155 278 Y CA -0.526 57.594 58.100 0.034 0.000 1.249 278 Y CB 0.323 38.788 38.460 0.009 0.000 1.146 278 Y HN 0.090 nan 8.280 nan 0.000 0.524 279 N N 1.649 120.476 118.700 0.211 0.000 2.681 279 N HA -0.224 4.511 4.740 -0.008 0.000 0.259 279 N C -0.278 175.308 175.510 0.127 0.000 1.066 279 N CA 0.540 53.703 53.050 0.188 0.000 0.717 279 N CB -1.262 37.313 38.487 0.147 0.000 0.885 279 N HN 0.350 nan 8.380 nan 0.000 0.547 280 N N -0.282 118.485 118.700 0.111 0.000 2.336 280 N HA 0.120 4.855 4.740 -0.008 0.000 0.189 280 N C -0.500 174.669 175.510 -0.569 0.000 1.113 280 N CA 0.662 53.577 53.050 -0.226 0.000 0.858 280 N CB 0.153 38.438 38.487 -0.337 0.000 0.970 280 N HN 0.350 nan 8.380 nan 0.000 0.471 281 F N -0.532 119.455 119.950 0.062 0.000 2.588 281 F HA 0.221 4.743 4.527 -0.008 0.000 0.314 281 F C 1.567 177.417 175.800 0.083 0.000 1.069 281 F CA -1.096 56.938 58.000 0.057 0.000 0.931 281 F CB 1.271 40.299 39.000 0.047 0.000 1.260 281 F HN -0.214 nan 8.300 nan 0.000 0.465 282 S N -0.677 115.173 115.700 0.249 0.000 2.423 282 S HA -0.059 4.406 4.470 -0.008 0.000 0.231 282 S C 0.775 175.499 174.600 0.207 0.000 1.014 282 S CA 0.529 58.836 58.200 0.178 0.000 0.965 282 S CB -0.843 62.435 63.200 0.131 0.000 0.785 282 S HN 0.612 nan 8.310 nan 0.000 0.495 283 S N 1.262 117.128 115.700 0.277 0.000 2.589 283 S HA 0.226 4.691 4.470 -0.008 0.000 0.265 283 S C -0.273 174.515 174.600 0.312 0.000 1.342 283 S CA -0.707 57.673 58.200 0.301 0.000 1.005 283 S CB 0.108 63.572 63.200 0.439 0.000 0.909 283 S HN 0.516 nan 8.310 nan 0.000 0.555 284 Q N 0.774 120.750 119.800 0.293 0.000 2.372 284 Q HA 0.453 4.788 4.340 -0.008 0.000 0.259 284 Q C 0.444 176.679 176.000 0.391 0.000 0.993 284 Q CA -0.482 55.478 55.803 0.260 0.000 0.854 284 Q CB 1.565 30.380 28.738 0.130 0.000 1.231 284 Q HN 0.876 nan 8.270 nan 0.000 0.462 285 G N 0.814 109.850 108.800 0.394 0.000 2.616 285 G HA2 0.310 4.266 3.960 -0.008 0.000 0.268 285 G HA3 0.310 4.266 3.960 -0.008 0.000 0.268 285 G C 0.850 175.956 174.900 0.342 0.000 1.213 285 G CA 0.082 45.448 45.100 0.443 0.000 0.926 285 G HN 0.689 nan 8.290 nan 0.000 0.523 286 A N -0.283 122.757 122.820 0.367 0.000 1.940 286 A HA -0.166 4.149 4.320 -0.008 0.000 0.219 286 A C 2.046 179.815 177.584 0.309 0.000 1.176 286 A CA 2.043 54.337 52.037 0.428 0.000 0.631 286 A CB -0.786 18.567 19.000 0.588 0.000 0.814 286 A HN 0.816 nan 8.150 nan 0.000 0.446 287 Y N 0.584 120.681 120.300 -0.338 0.000 2.293 287 Y HA -0.139 4.406 4.550 -0.008 0.000 0.291 287 Y C 2.189 178.050 175.900 -0.065 0.000 1.137 287 Y CA 2.084 59.932 58.100 -0.420 0.000 1.202 287 Y CB -0.086 37.845 38.460 -0.881 0.000 0.990 287 Y HN 0.490 nan 8.280 nan 0.000 0.537 288 E N -0.784 119.507 120.200 0.152 0.000 2.112 288 E HA -0.017 4.328 4.350 -0.008 0.000 0.190 288 E C 0.326 177.105 176.600 0.299 0.000 0.979 288 E CA 0.898 57.403 56.400 0.174 0.000 0.814 288 E CB 0.166 29.978 29.700 0.188 0.000 0.762 288 E HN 0.120 nan 8.360 nan 0.000 0.460 289 S N -0.821 115.035 115.700 0.260 0.000 2.543 289 S HA 0.107 4.572 4.470 -0.008 0.000 0.271 289 S C -0.252 174.124 174.600 -0.374 0.000 1.148 289 S CA -0.685 57.511 58.200 -0.006 0.000 0.914 289 S CB 1.464 64.635 63.200 -0.048 0.000 1.096 289 S HN 0.025 nan 8.310 nan 0.000 0.471 290 Q N 2.022 121.205 119.800 -1.029 0.000 2.515 290 Q HA 0.087 4.422 4.340 -0.008 0.000 0.212 290 Q C 0.697 176.098 176.000 -1.000 0.000 0.970 290 Q CA 0.501 55.330 55.803 -1.623 0.000 0.941 290 Q CB 0.068 27.744 28.738 -1.770 0.000 0.998 290 Q HN 0.531 nan 8.270 nan 0.000 0.518 291 S N 0.108 115.488 115.700 -0.535 0.000 2.539 291 S HA 0.038 4.503 4.470 -0.008 0.000 0.221 291 S C 0.472 174.943 174.600 -0.215 0.000 0.987 291 S CA -0.295 57.707 58.200 -0.329 0.000 0.929 291 S CB 0.575 63.623 63.200 -0.253 0.000 0.832 291 S HN 0.256 nan 8.310 nan 0.000 0.492 292 S N 3.534 119.147 115.700 -0.145 0.000 2.552 292 S HA 0.071 4.536 4.470 -0.008 0.000 0.289 292 S C -1.299 173.184 174.600 -0.195 0.000 1.304 292 S CA -0.979 57.175 58.200 -0.076 0.000 1.063 292 S CB 0.702 64.000 63.200 0.163 0.000 0.848 292 S HN 0.164 nan 8.310 nan 0.000 0.499 293 P HA 0.000 nan 4.420 nan 0.000 0.231 293 P C 0.182 177.019 177.300 -0.772 0.000 1.158 293 P CA 0.946 63.619 63.100 -0.711 0.000 0.763 293 P CB 0.024 31.102 31.700 -1.037 0.000 0.805 294 W N -2.568 118.632 121.300 -0.166 0.000 2.653 294 W HA 0.211 4.866 4.660 -0.008 0.000 0.391 294 W C 1.389 177.892 176.519 -0.027 0.000 0.962 294 W CA -0.727 56.317 57.345 -0.502 0.000 1.900 294 W CB -1.052 27.970 29.460 -0.730 0.000 1.176 294 W HN -0.066 nan 8.180 nan 0.000 0.582 295 Y N 2.576 122.965 120.300 0.149 0.000 2.151 295 Y HA -0.247 4.298 4.550 -0.008 0.000 0.284 295 Y C 1.999 178.110 175.900 0.353 0.000 1.166 295 Y CA 2.006 60.258 58.100 0.253 0.000 1.163 295 Y CB -0.498 37.990 38.460 0.047 0.000 0.974 295 Y HN -0.182 nan 8.280 nan 0.000 0.511 296 N N -0.648 118.193 118.700 0.235 0.000 2.571 296 N HA -0.156 4.579 4.740 -0.008 0.000 0.189 296 N C 1.107 176.703 175.510 0.144 0.000 1.154 296 N CA 0.675 53.810 53.050 0.142 0.000 0.907 296 N CB -0.342 38.234 38.487 0.149 0.000 0.977 296 N HN 0.569 nan 8.380 nan 0.000 0.449 297 Y N -1.004 119.234 120.300 -0.104 0.000 2.516 297 Y HA -0.078 4.467 4.550 -0.008 0.000 0.291 297 Y C 0.230 175.761 175.900 -0.614 0.000 1.131 297 Y CA 0.238 58.087 58.100 -0.419 0.000 1.281 297 Y CB 0.271 38.380 38.460 -0.585 0.000 1.013 297 Y HN -0.002 nan 8.280 nan 0.000 0.554 298 Y N -1.503 118.840 120.300 0.073 0.000 2.693 298 Y HA 0.425 4.970 4.550 -0.008 0.000 0.331 298 Y C -0.042 175.728 175.900 -0.216 0.000 1.092 298 Y CA -1.524 56.526 58.100 -0.084 0.000 1.131 298 Y CB 1.340 39.727 38.460 -0.121 0.000 1.318 298 Y HN -0.466 nan 8.280 nan 0.000 0.510 299 T N 2.168 116.635 114.554 -0.145 0.000 2.833 299 T HA 0.486 4.831 4.350 -0.008 0.000 0.297 299 T C -1.327 173.134 174.700 -0.399 0.000 1.015 299 T CA -0.555 61.427 62.100 -0.196 0.000 0.963 299 T CB -0.280 68.506 68.868 -0.138 0.000 0.955 299 T HN 0.219 nan 8.240 nan 0.000 0.449 300 F N 2.223 122.150 119.950 -0.038 0.000 2.415 300 F HA 0.416 4.939 4.527 -0.008 0.000 0.348 300 F C 0.620 176.424 175.800 0.006 0.000 1.119 300 F CA -0.889 57.149 58.000 0.063 0.000 1.069 300 F CB 0.968 40.159 39.000 0.318 0.000 1.124 300 F HN 0.572 nan 8.300 nan 0.000 0.472 301 Y N 0.224 120.766 120.300 0.402 0.000 2.301 301 Y HA 0.097 4.642 4.550 -0.008 0.000 0.295 301 Y C 1.046 177.112 175.900 0.277 0.000 1.119 301 Y CA 0.311 58.571 58.100 0.267 0.000 1.162 301 Y CB -0.073 38.494 38.460 0.177 0.000 1.046 301 Y HN 0.306 nan 8.280 nan 0.000 0.538 302 T N 0.118 114.948 114.554 0.459 0.000 3.089 302 T HA 0.091 4.436 4.350 -0.008 0.000 0.340 302 T C -1.398 173.523 174.700 0.368 0.000 1.008 302 T CA -0.598 61.711 62.100 0.347 0.000 1.096 302 T CB 0.049 69.063 68.868 0.244 0.000 1.024 302 T HN 0.179 nan 8.240 nan 0.000 0.477 303 W N 6.827 128.234 121.300 0.178 0.000 2.223 303 W HA 0.330 4.985 4.660 -0.008 0.000 0.334 303 W C -1.482 174.999 176.519 -0.063 0.000 1.334 303 W CA -1.126 56.201 57.345 -0.030 0.000 1.246 303 W CB 0.925 30.243 29.460 -0.237 0.000 1.184 303 W HN 0.391 nan 8.180 nan 0.000 0.563 304 P HA 0.070 nan 4.420 nan 0.000 0.281 304 P C 0.416 177.676 177.300 -0.066 0.000 1.291 304 P CA 0.509 62.833 63.100 -1.293 0.000 0.906 304 P CB 0.827 31.047 31.700 -2.467 0.000 1.388 305 D N 0.093 120.534 120.400 0.069 0.000 2.249 305 D HA -0.008 4.627 4.640 -0.008 0.000 0.205 305 D C 0.536 177.032 176.300 0.327 0.000 0.962 305 D CA 0.946 55.151 54.000 0.342 0.000 0.860 305 D CB 0.245 41.140 40.800 0.157 0.000 0.955 305 D HN 0.111 nan 8.370 nan 0.000 0.505 306 S N -0.113 115.782 115.700 0.325 0.000 2.438 306 S HA 0.449 4.914 4.470 -0.008 0.000 0.316 306 S C -1.113 173.702 174.600 0.358 0.000 1.084 306 S CA -0.731 57.597 58.200 0.213 0.000 1.107 306 S CB -0.070 63.283 63.200 0.255 0.000 0.981 306 S HN 0.145 nan 8.310 nan 0.000 0.466 307 Y N 1.291 121.735 120.300 0.240 0.000 2.638 307 Y HA 0.783 5.328 4.550 -0.008 0.000 0.335 307 Y C -0.344 175.528 175.900 -0.047 0.000 1.155 307 Y CA -1.590 56.450 58.100 -0.100 0.000 1.046 307 Y CB 0.437 38.773 38.460 -0.207 0.000 1.303 307 Y HN 0.585 nan 8.280 nan 0.000 0.460 308 A N 1.693 124.474 122.820 -0.066 0.000 2.462 308 A HA 0.619 4.934 4.320 -0.008 0.000 0.243 308 A C 0.217 177.945 177.584 0.241 0.000 1.076 308 A CA 0.674 52.804 52.037 0.156 0.000 0.773 308 A CB -0.524 18.535 19.000 0.097 0.000 1.010 308 A HN 1.451 nan 8.150 nan 0.000 0.493 309 S N 1.039 116.853 115.700 0.189 0.000 2.752 309 S HA 0.625 5.090 4.470 -0.008 0.000 0.284 309 S C -0.711 173.960 174.600 0.117 0.000 1.189 309 S CA -0.641 57.670 58.200 0.185 0.000 0.835 309 S CB 0.551 63.845 63.200 0.156 0.000 1.192 309 S HN 1.110 nan 8.310 nan 0.000 0.506 310 F N 2.691 122.601 119.950 -0.066 0.000 2.438 310 F HA 0.499 5.021 4.527 -0.008 0.000 0.360 310 F C 0.789 176.539 175.800 -0.085 0.000 1.118 310 F CA -0.548 57.350 58.000 -0.170 0.000 1.164 310 F CB -0.342 38.387 39.000 -0.452 0.000 1.131 310 F HN 0.636 nan 8.300 nan 0.000 0.527 311 L N 6.481 127.222 121.223 -0.804 0.000 3.737 311 L HA -0.317 4.018 4.340 -0.008 0.000 0.418 311 L C 1.208 177.699 176.870 -0.633 0.000 1.216 311 L CA 0.736 55.127 54.840 -0.748 0.000 0.915 311 L CB -2.027 39.482 42.059 -0.917 0.000 1.834 311 L HN 1.142 nan 8.230 nan 0.000 0.943 312 G N -1.881 106.681 108.800 -0.397 0.000 2.184 312 G HA2 -0.343 3.612 3.960 -0.008 0.000 0.264 312 G HA3 -0.343 3.612 3.960 -0.008 0.000 0.264 312 G C 0.028 174.727 174.900 -0.336 0.000 0.975 312 G CA 0.284 45.171 45.100 -0.354 0.000 0.642 312 G HN 0.304 nan 8.290 nan 0.000 0.536 313 F N 1.657 121.569 119.950 -0.064 0.000 2.444 313 F HA 0.375 4.897 4.527 -0.008 0.000 0.360 313 F C 1.501 177.328 175.800 0.046 0.000 1.106 313 F CA -0.859 57.148 58.000 0.010 0.000 1.170 313 F CB 0.711 39.743 39.000 0.053 0.000 1.113 313 F HN -0.093 nan 8.300 nan 0.000 0.521 314 N N 0.986 119.810 118.700 0.207 0.000 2.364 314 N HA -0.160 4.575 4.740 -0.008 0.000 0.183 314 N C 1.863 177.557 175.510 0.307 0.000 1.022 314 N CA 1.310 54.473 53.050 0.188 0.000 0.883 314 N CB -0.119 38.450 38.487 0.136 0.000 0.965 314 N HN 0.557 nan 8.380 nan 0.000 0.438 315 S N -0.215 115.669 115.700 0.306 0.000 2.561 315 S HA 0.075 4.540 4.470 -0.008 0.000 0.225 315 S C 0.848 175.579 174.600 0.219 0.000 0.977 315 S CA 0.138 58.517 58.200 0.298 0.000 0.926 315 S CB -0.122 63.289 63.200 0.351 0.000 0.769 315 S HN 0.175 nan 8.310 nan 0.000 0.533 316 L N 2.814 124.162 121.223 0.209 0.000 2.556 316 L HA 0.424 4.759 4.340 -0.008 0.000 0.243 316 L C -2.768 174.197 176.870 0.158 0.000 1.331 316 L CA -2.127 52.807 54.840 0.156 0.000 0.927 316 L CB 1.226 43.302 42.059 0.028 0.000 1.219 316 L HN -0.032 nan 8.230 nan 0.000 0.490 317 P HA -0.020 nan 4.420 nan 0.000 0.267 317 P C -0.578 176.902 177.300 0.299 0.000 1.209 317 P CA -0.082 62.998 63.100 -0.034 0.000 0.763 317 P CB 1.021 32.097 31.700 -1.040 0.000 0.816 318 K N 4.234 124.830 120.400 0.327 0.000 2.339 318 K HA 0.210 4.525 4.320 -0.008 0.000 0.286 318 K C 0.101 176.846 176.600 0.242 0.000 1.050 318 K CA -0.509 55.979 56.287 0.335 0.000 0.956 318 K CB 0.076 32.744 32.500 0.280 0.000 0.990 318 K HN 0.473 nan 8.250 nan 0.000 0.475 319 L N 3.596 124.915 121.223 0.161 0.000 2.426 319 L HA 0.043 4.378 4.340 -0.008 0.000 0.271 319 L C 0.392 177.218 176.870 -0.074 0.000 1.169 319 L CA -0.314 54.448 54.840 -0.130 0.000 0.836 319 L CB 0.409 42.359 42.059 -0.182 0.000 1.112 319 L HN 0.659 nan 8.230 nan 0.000 0.465 320 N N 1.494 120.050 118.700 -0.240 0.000 2.462 320 N HA 0.110 4.845 4.740 -0.008 0.000 0.242 320 N C 0.078 175.441 175.510 -0.244 0.000 1.010 320 N CA -0.074 52.901 53.050 -0.125 0.000 0.939 320 N CB 0.498 38.921 38.487 -0.107 0.000 1.127 320 N HN 0.348 nan 8.380 nan 0.000 0.509 321 Y N 2.977 123.187 120.300 -0.149 0.000 2.561 321 Y HA 0.154 4.699 4.550 -0.008 0.000 0.291 321 Y C 1.967 177.782 175.900 -0.143 0.000 1.141 321 Y CA 0.758 58.756 58.100 -0.170 0.000 1.303 321 Y CB -0.187 38.195 38.460 -0.129 0.000 1.015 321 Y HN 0.800 nan 8.280 nan 0.000 0.547 322 G N 0.958 109.764 108.800 0.009 0.000 2.582 322 G HA2 -0.381 3.574 3.960 -0.008 0.000 0.300 322 G HA3 -0.381 3.574 3.960 -0.008 0.000 0.300 322 G C -0.288 174.621 174.900 0.014 0.000 1.300 322 G CA 0.259 45.354 45.100 -0.008 0.000 0.959 322 G HN 0.396 nan 8.290 nan 0.000 0.548 323 N N -0.073 118.624 118.700 -0.004 0.000 2.458 323 N HA 0.562 5.297 4.740 -0.008 0.000 0.271 323 N C 0.343 175.853 175.510 -0.000 0.000 1.210 323 N CA 0.085 53.138 53.050 0.005 0.000 0.978 323 N CB 0.953 39.441 38.487 0.001 0.000 1.206 323 N HN 0.672 nan 8.380 nan 0.000 0.536 324 S N -0.293 115.415 115.700 0.014 0.000 2.558 324 S HA 0.311 4.776 4.470 -0.008 0.000 0.291 324 S C 1.323 175.914 174.600 -0.015 0.000 1.306 324 S CA 0.838 59.049 58.200 0.018 0.000 1.056 324 S CB 0.001 63.220 63.200 0.031 0.000 0.836 324 S HN 0.839 nan 8.310 nan 0.000 0.504 325 G N 1.896 110.672 108.800 -0.039 0.000 2.176 325 G HA2 -0.303 3.652 3.960 -0.008 0.000 0.253 325 G HA3 -0.303 3.652 3.960 -0.008 0.000 0.253 325 G C 0.270 175.108 174.900 -0.104 0.000 0.979 325 G CA 0.223 45.283 45.100 -0.066 0.000 0.641 325 G HN 1.235 nan 8.290 nan 0.000 0.530 326 S N -0.059 115.565 115.700 -0.126 0.000 2.589 326 S HA 0.655 5.120 4.470 -0.008 0.000 0.265 326 S C 1.838 176.287 174.600 -0.252 0.000 1.342 326 S CA 0.554 58.652 58.200 -0.170 0.000 1.005 326 S CB 1.585 64.674 63.200 -0.186 0.000 0.909 326 S HN 1.726 nan 8.310 nan 0.000 0.555 327 A N 1.535 124.193 122.820 -0.270 0.000 1.933 327 A HA 0.014 4.329 4.320 -0.008 0.000 0.218 327 A C 2.189 179.438 177.584 -0.559 0.000 1.175 327 A CA 1.539 53.387 52.037 -0.315 0.000 0.628 327 A CB -1.263 17.619 19.000 -0.197 0.000 0.814 327 A HN 0.798 nan 8.150 nan 0.000 0.444 328 V N 0.178 119.621 119.914 -0.784 0.000 2.343 328 V HA -0.269 3.846 4.120 -0.008 0.000 0.247 328 V C 2.611 178.233 176.094 -0.786 0.000 1.051 328 V CA 2.234 63.932 62.300 -1.004 0.000 1.036 328 V CB -0.783 30.366 31.823 -1.123 0.000 0.654 328 V HN 0.543 nan 8.190 nan 0.000 0.451 329 R N 0.033 120.160 120.500 -0.621 0.000 2.152 329 R HA -0.082 4.253 4.340 -0.008 0.000 0.232 329 R C 2.385 178.185 176.300 -0.833 0.000 1.117 329 R CA 1.240 56.918 56.100 -0.704 0.000 0.981 329 R CB -0.658 29.360 30.300 -0.469 0.000 0.870 329 R HN 0.603 nan 8.270 nan 0.000 0.451 330 G N 0.888 109.369 108.800 -0.533 0.000 2.394 330 G HA2 -0.202 3.753 3.960 -0.008 0.000 0.214 330 G HA3 -0.202 3.753 3.960 -0.008 0.000 0.214 330 G C 1.481 176.191 174.900 -0.317 0.000 1.176 330 G CA 0.953 45.826 45.100 -0.378 0.000 0.786 330 G HN 0.296 nan 8.290 nan 0.000 0.533 331 V N -1.215 118.510 119.914 -0.315 0.000 2.970 331 V HA 0.081 4.196 4.120 -0.008 0.000 0.260 331 V C 2.348 178.304 176.094 -0.230 0.000 1.100 331 V CA 0.737 62.929 62.300 -0.180 0.000 1.122 331 V CB -0.340 31.443 31.823 -0.067 0.000 0.721 331 V HN 0.207 nan 8.190 nan 0.000 0.483 332 I N 0.459 120.804 120.570 -0.375 0.000 2.429 332 I HA 0.076 4.241 4.170 -0.008 0.000 0.247 332 I C 2.322 178.278 176.117 -0.268 0.000 1.099 332 I CA 2.201 63.249 61.300 -0.420 0.000 1.422 332 I CB -0.653 37.132 38.000 -0.359 0.000 1.112 332 I HN 0.669 nan 8.210 nan 0.000 0.430 333 Y N -2.225 117.958 120.300 -0.195 0.000 2.498 333 Y HA 0.373 4.918 4.550 -0.008 0.000 0.278 333 Y C 1.698 177.543 175.900 -0.092 0.000 1.148 333 Y CA -0.384 57.636 58.100 -0.133 0.000 1.126 333 Y CB -0.823 37.621 38.460 -0.026 0.000 1.320 333 Y HN -0.170 nan 8.280 nan 0.000 0.538 334 N N 1.392 119.899 118.700 -0.322 0.000 2.171 334 N HA -0.060 4.675 4.740 -0.008 0.000 0.184 334 N C -0.304 175.161 175.510 -0.075 0.000 1.021 334 N CA 0.949 53.920 53.050 -0.131 0.000 0.854 334 N CB -0.448 37.904 38.487 -0.226 0.000 0.994 334 N HN 0.340 nan 8.380 nan 0.000 0.426 335 N N 0.359 118.994 118.700 -0.108 0.000 2.479 335 N HA -0.041 4.694 4.740 -0.008 0.000 0.257 335 N C 1.102 176.603 175.510 -0.015 0.000 1.232 335 N CA 0.118 53.135 53.050 -0.054 0.000 0.920 335 N CB 0.912 39.366 38.487 -0.055 0.000 1.105 335 N HN -0.011 nan 8.380 nan 0.000 0.444 336 S N 1.037 116.739 115.700 0.003 0.000 2.399 336 S HA -0.148 4.317 4.470 -0.008 0.000 0.231 336 S C 1.061 175.675 174.600 0.023 0.000 1.022 336 S CA 1.155 59.368 58.200 0.021 0.000 0.983 336 S CB -0.225 62.988 63.200 0.022 0.000 0.803 336 S HN 0.713 nan 8.310 nan 0.000 0.480 337 N N 1.345 120.053 118.700 0.014 0.000 2.276 337 N HA 0.069 4.804 4.740 -0.008 0.000 0.212 337 N C 0.272 175.787 175.510 0.009 0.000 1.127 337 N CA 0.358 53.416 53.050 0.014 0.000 0.834 337 N CB -0.420 38.081 38.487 0.023 0.000 1.014 337 N HN 0.430 nan 8.380 nan 0.000 0.491 338 S N -0.846 114.853 115.700 -0.002 0.000 2.606 338 S HA 0.160 4.626 4.470 -0.008 0.000 0.257 338 S C 1.545 176.149 174.600 0.006 0.000 1.327 338 S CA -0.477 57.705 58.200 -0.030 0.000 0.984 338 S CB 0.642 63.798 63.200 -0.074 0.000 0.941 338 S HN -0.100 nan 8.310 nan 0.000 0.576 339 V N 1.412 121.297 119.914 -0.049 0.000 2.270 339 V HA -0.122 3.993 4.120 -0.008 0.000 0.245 339 V C 3.013 179.282 176.094 0.292 0.000 1.043 339 V CA 2.242 64.583 62.300 0.068 0.000 1.014 339 V CB -1.922 29.798 31.823 -0.172 0.000 0.645 339 V HN 1.004 nan 8.190 nan 0.000 0.447 340 A N -0.125 122.722 122.820 0.045 0.000 1.877 340 A HA -0.233 4.082 4.320 -0.008 0.000 0.216 340 A C 2.307 180.174 177.584 0.471 0.000 1.186 340 A CA 2.064 54.262 52.037 0.268 0.000 0.620 340 A CB -0.448 18.512 19.000 -0.067 0.000 0.822 340 A HN 0.542 nan 8.150 nan 0.000 0.443 341 K N -1.053 119.483 120.400 0.227 0.000 2.103 341 K HA -0.055 4.260 4.320 -0.008 0.000 0.204 341 K C 2.120 178.830 176.600 0.183 0.000 1.052 341 K CA 1.446 57.846 56.287 0.190 0.000 0.945 341 K CB -0.363 32.196 32.500 0.099 0.000 0.722 341 K HN 0.452 nan 8.250 nan 0.000 0.443 342 T N 0.699 115.330 114.554 0.128 0.000 2.635 342 T HA -0.185 4.160 4.350 -0.008 0.000 0.267 342 T C 1.556 176.210 174.700 -0.077 0.000 1.040 342 T CA 1.598 63.676 62.100 -0.037 0.000 1.156 342 T CB -0.372 68.347 68.868 -0.248 0.000 0.863 342 T HN 0.240 nan 8.240 nan 0.000 0.430 343 Y N 0.569 120.958 120.300 0.149 0.000 2.516 343 Y HA 0.219 4.764 4.550 -0.009 0.000 0.291 343 Y C 2.020 178.028 175.900 0.179 0.000 1.131 343 Y CA 0.263 58.409 58.100 0.077 0.000 1.281 343 Y CB -0.334 38.159 38.460 0.055 0.000 1.013 343 Y HN 0.158 nan 8.280 nan 0.000 0.554 344 L N -0.767 120.659 121.223 0.339 0.000 2.375 344 L HA -0.007 4.328 4.340 -0.008 0.000 0.215 344 L C 0.496 177.489 176.870 0.205 0.000 1.108 344 L CA 0.242 55.237 54.840 0.258 0.000 0.830 344 L CB -0.167 42.061 42.059 0.281 0.000 0.959 344 L HN 0.129 nan 8.230 nan 0.000 0.457 345 N N 0.103 118.921 118.700 0.196 0.000 2.489 345 N HA 0.297 5.032 4.740 -0.008 0.000 0.284 345 N C -2.371 173.234 175.510 0.158 0.000 1.158 345 N CA -1.526 51.614 53.050 0.149 0.000 0.965 345 N CB 0.937 39.494 38.487 0.116 0.000 1.195 345 N HN -0.170 nan 8.380 nan 0.000 0.506 346 P HA 0.094 nan 4.420 nan 0.000 0.271 346 P C -2.038 175.273 177.300 0.019 0.000 1.233 346 P CA -0.683 62.444 63.100 0.046 0.000 0.789 346 P CB 0.045 31.755 31.700 0.017 0.000 0.951 347 P HA 0.037 nan 4.420 nan 0.000 0.255 347 P C 0.268 177.348 177.300 -0.368 0.000 1.357 347 P CA 0.643 63.588 63.100 -0.258 0.000 0.839 347 P CB -0.137 31.357 31.700 -0.343 0.000 1.356 348 Y N -0.048 120.272 120.300 0.033 0.000 2.351 348 Y HA 0.106 4.652 4.550 -0.007 0.000 0.291 348 Y C 1.555 177.500 175.900 0.076 0.000 1.153 348 Y CA 0.385 58.523 58.100 0.064 0.000 1.193 348 Y CB -0.617 37.916 38.460 0.122 0.000 1.187 348 Y HN -0.232 nan 8.280 nan 0.000 0.524 349 S N 0.607 116.470 115.700 0.271 0.000 3.628 349 S HA -0.127 4.338 4.470 -0.008 0.000 0.373 349 S C 0.064 174.802 174.600 0.230 0.000 0.968 349 S CA 0.090 58.419 58.200 0.215 0.000 1.215 349 S CB -2.277 61.030 63.200 0.178 0.000 0.912 349 S HN 0.388 nan 8.310 nan 0.000 0.495 350 V N -0.994 119.032 119.914 0.186 0.000 3.441 350 V HA 0.341 4.456 4.120 -0.008 0.000 0.300 350 V C 1.091 177.243 176.094 0.097 0.000 1.091 350 V CA 0.111 62.467 62.300 0.093 0.000 1.099 350 V CB 0.725 32.516 31.823 -0.053 0.000 1.138 350 V HN 0.413 nan 8.190 nan 0.000 0.471 351 D N 0.473 120.918 120.400 0.074 0.000 2.398 351 D HA 0.413 5.048 4.640 -0.008 0.000 0.210 351 D C 0.586 177.037 176.300 0.252 0.000 1.094 351 D CA 1.125 55.208 54.000 0.138 0.000 0.839 351 D CB 1.201 42.004 40.800 0.005 0.000 0.963 351 D HN 1.032 nan 8.370 nan 0.000 0.506 352 G N 0.338 109.185 108.800 0.077 0.000 2.338 352 G HA2 0.328 4.283 3.960 -0.008 0.000 0.295 352 G HA3 0.328 4.283 3.960 -0.008 0.000 0.295 352 G C -2.314 172.554 174.900 -0.053 0.000 1.461 352 G CA -1.044 44.131 45.100 0.125 0.000 0.817 352 G HN 0.022 nan 8.290 nan 0.000 0.556 353 W N 0.364 121.763 121.300 0.165 0.000 2.785 353 W HA 0.713 5.369 4.660 -0.007 0.000 0.333 353 W C 0.178 176.657 176.519 -0.066 0.000 1.062 353 W CA -0.950 56.470 57.345 0.126 0.000 1.233 353 W CB 2.167 31.827 29.460 0.334 0.000 1.413 353 W HN 0.449 nan 8.180 nan 0.000 0.489 354 R N 4.211 124.780 120.500 0.116 0.000 2.255 354 R HA 0.412 4.747 4.340 -0.008 0.000 0.326 354 R C -1.145 175.052 176.300 -0.172 0.000 0.986 354 R CA -0.473 55.517 56.100 -0.182 0.000 0.847 354 R CB 0.544 30.593 30.300 -0.417 0.000 1.111 354 R HN 0.748 nan 8.270 nan 0.000 0.452 355 L N 4.525 125.512 121.223 -0.393 0.000 2.312 355 L HA 0.200 4.535 4.340 -0.008 0.000 0.287 355 L C 0.370 177.037 176.870 -0.339 0.000 1.091 355 L CA -0.621 53.932 54.840 -0.479 0.000 0.846 355 L CB 0.495 41.989 42.059 -0.941 0.000 1.219 355 L HN 0.534 nan 8.230 nan 0.000 0.439 356 D N 3.564 123.856 120.400 -0.180 0.000 2.424 356 D HA 0.283 4.918 4.640 -0.008 0.000 0.244 356 D C 1.017 177.309 176.300 -0.013 0.000 1.134 356 D CA 0.570 54.544 54.000 -0.044 0.000 0.881 356 D CB 1.003 41.851 40.800 0.079 0.000 1.191 356 D HN 0.720 nan 8.370 nan 0.000 0.445 357 A N 2.889 125.748 122.820 0.066 0.000 2.748 357 A HA -0.203 4.112 4.320 -0.008 0.000 0.297 357 A C 1.829 179.595 177.584 0.304 0.000 1.508 357 A CA 1.452 53.674 52.037 0.309 0.000 0.799 357 A CB -2.111 17.096 19.000 0.345 0.000 1.011 357 A HN 0.931 nan 8.150 nan 0.000 0.500 358 A N -0.227 122.641 122.820 0.080 0.000 1.917 358 A HA -0.242 4.074 4.320 -0.008 0.000 0.219 358 A C 2.075 179.832 177.584 0.290 0.000 1.182 358 A CA 2.157 54.270 52.037 0.127 0.000 0.633 358 A CB -0.565 18.134 19.000 -0.502 0.000 0.819 358 A HN 1.417 nan 8.150 nan 0.000 0.448 359 Q N -1.822 117.973 119.800 -0.009 0.000 2.226 359 Q HA -0.208 4.127 4.340 -0.008 0.000 0.204 359 Q C 1.600 177.607 176.000 0.010 0.000 0.975 359 Q CA 1.957 57.717 55.803 -0.072 0.000 0.866 359 Q CB -0.566 28.049 28.738 -0.205 0.000 0.915 359 Q HN 0.775 nan 8.270 nan 0.000 0.440 360 Y N 0.679 121.169 120.300 0.316 0.000 2.517 360 Y HA 0.169 4.714 4.550 -0.008 0.000 0.281 360 Y C 0.899 176.924 175.900 0.207 0.000 1.125 360 Y CA -0.521 57.747 58.100 0.280 0.000 1.283 360 Y CB 0.551 39.218 38.460 0.345 0.000 1.042 360 Y HN -0.130 nan 8.280 nan 0.000 0.547 361 V N 2.670 122.747 119.914 0.272 0.000 2.584 361 V HA -0.089 4.027 4.120 -0.008 0.000 0.303 361 V C 0.010 176.032 176.094 -0.121 0.000 1.035 361 V CA 0.850 63.135 62.300 -0.026 0.000 1.172 361 V CB 0.094 31.676 31.823 -0.402 0.000 0.896 361 V HN 0.314 nan 8.190 nan 0.000 0.486 362 D N 2.354 122.723 120.400 -0.052 0.000 2.738 362 D HA 0.650 5.285 4.640 -0.008 0.000 0.308 362 D C -0.815 175.559 176.300 0.124 0.000 1.311 362 D CA 0.087 54.089 54.000 0.004 0.000 0.799 362 D CB 2.047 42.901 40.800 0.091 0.000 1.332 362 D HN 0.652 nan 8.370 nan 0.000 0.441 363 A N 0.172 123.053 122.820 0.101 0.000 2.320 363 A HA 0.667 4.983 4.320 -0.008 0.000 0.334 363 A C 0.291 177.932 177.584 0.095 0.000 1.147 363 A CA 0.120 52.222 52.037 0.107 0.000 0.820 363 A CB 0.308 19.353 19.000 0.075 0.000 1.218 363 A HN 0.764 nan 8.150 nan 0.000 0.482 364 N N -0.182 118.564 118.700 0.077 0.000 2.741 364 N HA -0.250 4.485 4.740 -0.008 0.000 0.251 364 N C 0.859 176.436 175.510 0.112 0.000 1.112 364 N CA 1.243 54.343 53.050 0.083 0.000 0.750 364 N CB -1.037 37.502 38.487 0.086 0.000 1.119 364 N HN 2.029 nan 8.380 nan 0.000 0.561 365 G N -1.349 107.525 108.800 0.122 0.000 2.176 365 G HA2 -0.327 3.628 3.960 -0.008 0.000 0.253 365 G HA3 -0.327 3.628 3.960 -0.008 0.000 0.253 365 G C 0.133 175.159 174.900 0.209 0.000 0.979 365 G CA 0.247 45.446 45.100 0.165 0.000 0.641 365 G HN 0.435 nan 8.290 nan 0.000 0.530 366 N N 0.543 119.348 118.700 0.176 0.000 2.371 366 N HA 0.141 4.876 4.740 -0.008 0.000 0.243 366 N C 0.553 176.184 175.510 0.201 0.000 1.287 366 N CA -0.106 53.046 53.050 0.170 0.000 0.911 366 N CB 0.162 38.727 38.487 0.131 0.000 1.142 366 N HN 0.133 nan 8.380 nan 0.000 0.451 367 N N 0.432 119.260 118.700 0.213 0.000 2.327 367 N HA 0.116 4.851 4.740 -0.008 0.000 0.231 367 N C 0.974 176.671 175.510 0.311 0.000 1.130 367 N CA 0.067 53.305 53.050 0.313 0.000 0.845 367 N CB -0.191 38.492 38.487 0.326 0.000 1.073 367 N HN 0.722 nan 8.380 nan 0.000 0.496 368 G N 0.668 109.593 108.800 0.208 0.000 2.601 368 G HA2 -0.318 3.637 3.960 -0.008 0.000 0.261 368 G HA3 -0.318 3.637 3.960 -0.008 0.000 0.261 368 G C 0.082 175.061 174.900 0.133 0.000 1.289 368 G CA -0.001 45.190 45.100 0.152 0.000 0.920 368 G HN 0.263 nan 8.290 nan 0.000 0.571 369 S N -0.135 115.651 115.700 0.144 0.000 3.614 369 S HA -0.092 4.373 4.470 -0.008 0.000 0.360 369 S C 0.058 174.699 174.600 0.069 0.000 1.023 369 S CA 2.852 61.138 58.200 0.143 0.000 1.114 369 S CB -1.617 61.704 63.200 0.203 0.000 0.907 369 S HN 1.916 nan 8.310 nan 0.000 0.470 370 D N -2.645 117.771 120.400 0.028 0.000 2.664 370 D HA 0.601 5.236 4.640 -0.008 0.000 0.292 370 D C 0.995 177.350 176.300 0.091 0.000 1.214 370 D CA -0.628 53.407 54.000 0.058 0.000 0.932 370 D CB 0.166 40.995 40.800 0.048 0.000 1.420 370 D HN -0.086 nan 8.370 nan 0.000 0.471 371 V N 0.011 119.967 119.914 0.071 0.000 2.250 371 V HA -0.289 3.826 4.120 -0.008 0.000 0.250 371 V C 2.260 178.381 176.094 0.044 0.000 1.060 371 V CA 2.892 65.230 62.300 0.063 0.000 1.030 371 V CB -1.081 30.757 31.823 0.024 0.000 0.643 371 V HN 0.777 nan 8.190 nan 0.000 0.445 372 T N 0.139 114.702 114.554 0.016 0.000 2.684 372 T HA -0.246 4.099 4.350 -0.008 0.000 0.267 372 T C 1.921 176.578 174.700 -0.071 0.000 1.036 372 T CA 1.772 63.865 62.100 -0.012 0.000 1.148 372 T CB -0.565 68.302 68.868 -0.001 0.000 0.863 372 T HN 0.596 nan 8.240 nan 0.000 0.436 373 N N 0.809 119.450 118.700 -0.098 0.000 2.069 373 N HA -0.197 4.538 4.740 -0.008 0.000 0.191 373 N C 1.708 177.104 175.510 -0.190 0.000 1.031 373 N CA 1.755 54.692 53.050 -0.189 0.000 0.852 373 N CB -0.274 38.141 38.487 -0.120 0.000 1.018 373 N HN 0.569 nan 8.380 nan 0.000 0.423 374 H N 0.213 119.301 119.070 0.031 0.000 2.423 374 H HA -0.041 4.510 4.556 -0.008 0.000 0.297 374 H C 2.264 177.602 175.328 0.016 0.000 1.075 374 H CA 1.511 57.576 56.048 0.029 0.000 1.342 374 H CB -0.013 29.669 29.762 -0.133 0.000 1.395 374 H HN 0.431 nan 8.280 nan 0.000 0.530 375 Q N 0.958 120.797 119.800 0.066 0.000 2.084 375 Q HA -0.145 4.190 4.340 -0.008 0.000 0.202 375 Q C 2.027 178.029 176.000 0.003 0.000 0.978 375 Q CA 1.493 57.319 55.803 0.038 0.000 0.844 375 Q CB -0.024 28.727 28.738 0.022 0.000 0.898 375 Q HN 0.529 nan 8.270 nan 0.000 0.426 376 I N -0.462 120.042 120.570 -0.111 0.000 2.179 376 I HA -0.274 3.891 4.170 -0.008 0.000 0.242 376 I C 1.810 177.753 176.117 -0.290 0.000 1.088 376 I CA 1.425 62.572 61.300 -0.256 0.000 1.357 376 I CB -0.390 37.270 38.000 -0.566 0.000 1.051 376 I HN 0.362 nan 8.210 nan 0.000 0.409 377 W N 0.516 121.813 121.300 -0.005 0.000 2.465 377 W HA -0.136 4.519 4.660 -0.008 0.000 0.268 377 W C 2.753 179.352 176.519 0.134 0.000 1.242 377 W CA 0.310 57.712 57.345 0.095 0.000 1.248 377 W CB -0.200 29.405 29.460 0.242 0.000 1.118 377 W HN 0.001 nan 8.180 nan 0.000 0.587 378 S N 0.264 116.115 115.700 0.253 0.000 2.357 378 S HA -0.159 4.306 4.470 -0.008 0.000 0.221 378 S C 1.439 176.113 174.600 0.123 0.000 1.031 378 S CA 1.268 59.569 58.200 0.168 0.000 0.982 378 S CB -0.301 62.959 63.200 0.100 0.000 0.853 378 S HN 0.348 nan 8.310 nan 0.000 0.458 379 E N 0.276 120.517 120.200 0.069 0.000 2.106 379 E HA -0.122 4.223 4.350 -0.008 0.000 0.192 379 E C 1.736 178.294 176.600 -0.069 0.000 0.984 379 E CA 0.844 57.278 56.400 0.056 0.000 0.806 379 E CB -0.228 29.568 29.700 0.161 0.000 0.750 379 E HN 0.483 nan 8.360 nan 0.000 0.458 380 F N 2.122 121.827 119.950 -0.408 0.000 2.095 380 F HA -0.190 4.333 4.527 -0.008 0.000 0.298 380 F C 2.493 178.284 175.800 -0.016 0.000 1.104 380 F CA 1.616 59.356 58.000 -0.433 0.000 1.232 380 F CB -0.012 38.892 39.000 -0.160 0.000 0.987 380 F HN -0.208 nan 8.300 nan 0.000 0.475 381 R N 0.337 120.966 120.500 0.215 0.000 2.081 381 R HA -0.190 4.145 4.340 -0.008 0.000 0.235 381 R C 2.017 178.349 176.300 0.054 0.000 1.131 381 R CA 1.850 58.048 56.100 0.164 0.000 0.960 381 R CB -0.414 30.024 30.300 0.230 0.000 0.856 381 R HN 0.306 nan 8.270 nan 0.000 0.436 382 N N 0.615 119.347 118.700 0.054 0.000 2.120 382 N HA -0.157 4.578 4.740 -0.008 0.000 0.188 382 N C 1.610 177.134 175.510 0.024 0.000 1.024 382 N CA 1.502 54.582 53.050 0.049 0.000 0.852 382 N CB -0.404 38.120 38.487 0.062 0.000 1.003 382 N HN 0.308 nan 8.380 nan 0.000 0.424 383 A N 0.984 123.797 122.820 -0.011 0.000 1.873 383 A HA -0.060 4.255 4.320 -0.008 0.000 0.215 383 A C 2.567 180.117 177.584 -0.056 0.000 1.186 383 A CA 1.327 53.358 52.037 -0.011 0.000 0.616 383 A CB -0.859 18.159 19.000 0.031 0.000 0.823 383 A HN 0.082 nan 8.150 nan 0.000 0.442 384 V N 0.768 120.579 119.914 -0.172 0.000 2.223 384 V HA -0.245 3.870 4.120 -0.008 0.000 0.244 384 V C 2.429 178.545 176.094 0.037 0.000 1.045 384 V CA 2.195 64.444 62.300 -0.085 0.000 1.000 384 V CB -0.652 31.086 31.823 -0.142 0.000 0.635 384 V HN 0.440 nan 8.190 nan 0.000 0.445 385 K N 0.674 121.105 120.400 0.051 0.000 2.281 385 K HA -0.107 4.208 4.320 -0.008 0.000 0.203 385 K C 2.064 178.706 176.600 0.070 0.000 1.046 385 K CA 1.338 57.673 56.287 0.080 0.000 0.938 385 K CB -0.997 31.557 32.500 0.091 0.000 0.737 385 K HN 0.590 nan 8.250 nan 0.000 0.458 386 G N 0.588 109.421 108.800 0.055 0.000 2.421 386 G HA2 -0.121 3.835 3.960 -0.008 0.000 0.217 386 G HA3 -0.121 3.835 3.960 -0.008 0.000 0.217 386 G C 1.629 176.564 174.900 0.059 0.000 1.143 386 G CA 0.348 45.480 45.100 0.053 0.000 0.784 386 G HN 0.138 nan 8.290 nan 0.000 0.541 387 V N 0.375 120.329 119.914 0.067 0.000 2.426 387 V HA 0.104 4.220 4.120 -0.008 0.000 0.242 387 V C 0.617 176.765 176.094 0.089 0.000 1.036 387 V CA 1.215 63.562 62.300 0.079 0.000 1.044 387 V CB -0.102 31.780 31.823 0.097 0.000 0.688 387 V HN 0.408 nan 8.190 nan 0.000 0.462 388 N N -0.499 118.262 118.700 0.102 0.000 2.581 388 N HA 0.092 4.827 4.740 -0.008 0.000 0.279 388 N C 0.752 176.334 175.510 0.121 0.000 1.124 388 N CA 0.524 53.642 53.050 0.114 0.000 0.833 388 N CB 1.841 40.410 38.487 0.138 0.000 1.338 388 N HN 0.141 nan 8.380 nan 0.000 0.533 389 S N 2.178 117.940 115.700 0.103 0.000 2.469 389 S HA -0.032 4.433 4.470 -0.008 0.000 0.238 389 S C 0.777 175.446 174.600 0.116 0.000 0.998 389 S CA 0.651 58.910 58.200 0.098 0.000 0.957 389 S CB -0.047 63.199 63.200 0.076 0.000 0.764 389 S HN 0.533 nan 8.310 nan 0.000 0.514 390 N N 1.675 120.471 118.700 0.161 0.000 2.235 390 N HA 0.379 5.115 4.740 -0.008 0.000 0.209 390 N C -0.115 175.622 175.510 0.379 0.000 1.122 390 N CA 0.314 53.514 53.050 0.250 0.000 0.845 390 N CB 0.777 39.445 38.487 0.301 0.000 1.004 390 N HN 0.536 nan 8.380 nan 0.000 0.499 391 A N 0.575 123.560 122.820 0.274 0.000 2.331 391 A HA 0.691 5.006 4.320 -0.008 0.000 0.283 391 A C 0.266 178.000 177.584 0.249 0.000 1.142 391 A CA -0.491 51.733 52.037 0.311 0.000 0.812 391 A CB 0.577 19.724 19.000 0.245 0.000 1.074 391 A HN 0.191 nan 8.150 nan 0.000 0.497 392 A N 2.325 125.305 122.820 0.268 0.000 2.304 392 A HA 0.689 5.004 4.320 -0.008 0.000 0.301 392 A C -0.306 177.367 177.584 0.148 0.000 1.132 392 A CA -0.358 51.727 52.037 0.079 0.000 0.819 392 A CB 0.181 19.110 19.000 -0.119 0.000 1.094 392 A HN 0.759 nan 8.150 nan 0.000 0.492 393 I N 2.852 123.486 120.570 0.106 0.000 2.439 393 I HA 0.318 4.484 4.170 -0.008 0.000 0.283 393 I C -1.017 175.064 176.117 -0.058 0.000 1.023 393 I CA 0.042 61.418 61.300 0.126 0.000 1.100 393 I CB 1.284 39.444 38.000 0.267 0.000 1.238 393 I HN 0.470 nan 8.210 nan 0.000 0.445 394 I N 5.485 125.931 120.570 -0.208 0.000 2.382 394 I HA 0.434 4.599 4.170 -0.008 0.000 0.286 394 I C 0.649 176.353 176.117 -0.688 0.000 1.002 394 I CA -0.452 60.643 61.300 -0.341 0.000 1.135 394 I CB 1.800 39.637 38.000 -0.272 0.000 1.288 394 I HN 0.562 nan 8.210 nan 0.000 0.448 395 G N 4.365 112.462 108.800 -1.172 0.000 2.400 395 G HA2 0.297 4.252 3.960 -0.008 0.000 0.301 395 G HA3 0.297 4.252 3.960 -0.008 0.000 0.301 395 G C -0.643 173.697 174.900 -0.933 0.000 1.154 395 G CA -0.375 43.556 45.100 -1.949 0.000 0.852 395 G HN 0.677 nan 8.290 nan 0.000 0.511 396 E N 0.299 120.130 120.200 -0.615 0.000 2.229 396 E HA 0.432 4.777 4.350 -0.008 0.000 0.283 396 E C -1.667 174.963 176.600 0.050 0.000 1.030 396 E CA -0.543 55.781 56.400 -0.127 0.000 0.836 396 E CB 0.808 30.492 29.700 -0.026 0.000 1.068 396 E HN 0.403 nan 8.360 nan 0.000 0.401 397 Y N 3.053 123.400 120.300 0.078 0.000 2.409 397 Y HA 0.100 4.645 4.550 -0.008 0.000 0.321 397 Y C 0.015 176.048 175.900 0.221 0.000 1.209 397 Y CA -0.760 57.392 58.100 0.085 0.000 1.086 397 Y CB 1.136 39.655 38.460 0.098 0.000 1.320 397 Y HN 0.310 nan 8.280 nan 0.000 0.440 398 V N 1.911 121.563 119.914 -0.436 0.000 3.406 398 V HA 0.501 4.616 4.120 -0.008 0.000 0.263 398 V C 0.774 176.832 176.094 -0.059 0.000 1.172 398 V CA 1.681 63.818 62.300 -0.272 0.000 1.140 398 V CB -0.371 31.163 31.823 -0.483 0.000 0.784 398 V HN 0.808 nan 8.190 nan 0.000 0.467 399 G N 0.497 109.138 108.800 -0.266 0.000 3.099 399 G HA2 0.247 4.203 3.960 -0.008 0.000 0.151 399 G HA3 0.247 4.203 3.960 -0.008 0.000 0.151 399 G C -0.625 174.555 174.900 0.467 0.000 1.265 399 G CA -0.490 44.681 45.100 0.119 0.000 0.981 399 G HN 0.288 nan 8.290 nan 0.000 0.601 400 N N 0.939 119.916 118.700 0.462 0.000 2.399 400 N HA 0.348 5.083 4.740 -0.008 0.000 0.259 400 N C 0.702 176.491 175.510 0.465 0.000 1.160 400 N CA 0.143 53.394 53.050 0.334 0.000 0.946 400 N CB 1.114 39.659 38.487 0.095 0.000 1.156 400 N HN 0.446 nan 8.380 nan 0.000 0.489 401 A N 3.886 127.050 122.820 0.573 0.000 2.327 401 A HA -0.024 4.291 4.320 -0.008 0.000 0.228 401 A C 1.856 179.649 177.584 0.349 0.000 1.275 401 A CA -0.303 52.049 52.037 0.526 0.000 0.875 401 A CB -0.700 18.697 19.000 0.663 0.000 0.925 401 A HN 0.826 nan 8.150 nan 0.000 0.493 402 N N 1.416 120.147 118.700 0.052 0.000 2.094 402 N HA -0.154 4.581 4.740 -0.008 0.000 0.191 402 N C -1.123 174.253 175.510 -0.223 0.000 1.023 402 N CA 2.004 54.978 53.050 -0.127 0.000 0.857 402 N CB -0.734 37.606 38.487 -0.246 0.000 1.013 402 N HN 0.269 nan 8.380 nan 0.000 0.426 403 P HA -0.085 nan 4.420 nan 0.000 0.221 403 P C 0.502 177.269 177.300 -0.887 0.000 1.145 403 P CA 1.091 63.721 63.100 -0.784 0.000 0.795 403 P CB -0.225 30.779 31.700 -1.159 0.000 0.775 404 W N -0.831 120.143 121.300 -0.544 0.000 3.102 404 W HA 0.243 4.898 4.660 -0.008 0.000 0.401 404 W C 0.674 176.804 176.519 -0.648 0.000 1.070 404 W CA 0.484 57.309 57.345 -0.865 0.000 1.921 404 W CB -0.237 27.933 29.460 -2.149 0.000 1.118 404 W HN 0.143 nan 8.180 nan 0.000 0.647 405 T N -4.746 109.693 114.554 -0.192 0.000 3.336 405 T HA 0.168 4.513 4.350 -0.008 0.000 0.273 405 T C 1.791 176.378 174.700 -0.188 0.000 0.932 405 T CA 0.688 62.745 62.100 -0.071 0.000 0.995 405 T CB -0.266 68.699 68.868 0.163 0.000 1.213 405 T HN -0.176 nan 8.240 nan 0.000 0.502 406 A N 1.543 124.238 122.820 -0.208 0.000 2.186 406 A HA -0.030 4.285 4.320 -0.008 0.000 0.219 406 A C 2.178 179.631 177.584 -0.219 0.000 1.159 406 A CA 1.063 52.926 52.037 -0.289 0.000 0.680 406 A CB -0.619 18.225 19.000 -0.260 0.000 0.787 406 A HN 0.529 nan 8.150 nan 0.000 0.467 407 Q N -1.714 117.919 119.800 -0.279 0.000 2.384 407 Q HA 0.146 4.481 4.340 -0.008 0.000 0.207 407 Q C 1.227 176.983 176.000 -0.407 0.000 0.904 407 Q CA 0.663 56.318 55.803 -0.246 0.000 0.933 407 Q CB 0.121 28.722 28.738 -0.228 0.000 1.077 407 Q HN 0.907 nan 8.270 nan 0.000 0.522 408 G N 3.006 111.334 108.800 -0.787 0.000 2.225 408 G HA2 -0.329 3.626 3.960 -0.008 0.000 0.267 408 G HA3 -0.329 3.626 3.960 -0.008 0.000 0.267 408 G C 0.315 174.765 174.900 -0.750 0.000 1.024 408 G CA 0.940 45.057 45.100 -1.639 0.000 0.784 408 G HN 0.656 nan 8.290 nan 0.000 0.507 409 N N -2.112 116.357 118.700 -0.384 0.000 2.160 409 N HA 0.241 4.976 4.740 -0.008 0.000 0.226 409 N C 1.039 176.549 175.510 0.001 0.000 1.256 409 N CA -0.022 52.951 53.050 -0.129 0.000 0.890 409 N CB 0.399 38.833 38.487 -0.088 0.000 1.116 409 N HN 0.512 nan 8.380 nan 0.000 0.517 410 Q N -0.337 119.461 119.800 -0.002 0.000 1.989 410 Q HA 0.271 4.606 4.340 -0.008 0.000 0.166 410 Q C -0.688 175.516 176.000 0.340 0.000 0.536 410 Q CA -0.514 55.391 55.803 0.170 0.000 0.651 410 Q CB 0.382 29.140 28.738 0.033 0.000 1.468 410 Q HN 0.147 nan 8.270 nan 0.000 0.350 411 W N 1.706 123.067 121.300 0.101 0.000 2.332 411 W HA 0.276 4.931 4.660 -0.008 0.000 0.351 411 W C 0.493 177.099 176.519 0.144 0.000 1.195 411 W CA -0.760 56.623 57.345 0.062 0.000 1.334 411 W CB -0.042 29.382 29.460 -0.060 0.000 1.206 411 W HN 0.448 nan 8.180 nan 0.000 0.637 412 D N 0.244 120.852 120.400 0.347 0.000 2.240 412 D HA 0.252 4.887 4.640 -0.008 0.000 0.206 412 D C 0.687 177.063 176.300 0.127 0.000 0.963 412 D CA 1.023 55.155 54.000 0.220 0.000 0.863 412 D CB 0.701 41.519 40.800 0.030 0.000 0.973 412 D HN 0.277 nan 8.370 nan 0.000 0.501 413 A N -0.429 122.463 122.820 0.120 0.000 2.573 413 A HA 0.749 5.064 4.320 -0.008 0.000 0.310 413 A C -1.650 175.985 177.584 0.084 0.000 1.142 413 A CA 0.012 52.059 52.037 0.017 0.000 0.620 413 A CB 0.881 19.803 19.000 -0.129 0.000 1.382 413 A HN 0.124 nan 8.150 nan 0.000 0.545 414 A N -0.826 121.988 122.820 -0.010 0.000 2.602 414 A HA 0.791 5.107 4.320 -0.008 0.000 0.290 414 A C -0.151 177.427 177.584 -0.010 0.000 1.114 414 A CA 0.213 52.270 52.037 0.033 0.000 0.683 414 A CB 0.408 19.596 19.000 0.313 0.000 1.281 414 A HN 2.199 nan 8.150 nan 0.000 0.416 415 T N 0.023 114.607 114.554 0.050 0.000 2.784 415 T HA 0.180 4.525 4.350 -0.008 0.000 0.291 415 T C 0.130 174.848 174.700 0.029 0.000 0.942 415 T CA -0.127 62.029 62.100 0.093 0.000 1.161 415 T CB -0.123 68.904 68.868 0.264 0.000 0.885 415 T HN 0.498 nan 8.240 nan 0.000 0.534 416 N N 2.612 121.183 118.700 -0.216 0.000 3.254 416 N HA 0.184 4.919 4.740 -0.008 0.000 0.308 416 N C 0.216 175.627 175.510 -0.165 0.000 1.281 416 N CA -0.894 52.079 53.050 -0.127 0.000 1.212 416 N CB -0.959 37.452 38.487 -0.126 0.000 1.478 416 N HN 0.662 nan 8.380 nan 0.000 0.548 417 F N -0.241 119.697 119.950 -0.020 0.000 2.113 417 F HA -0.101 4.421 4.527 -0.008 0.000 0.297 417 F C 2.139 178.073 175.800 0.224 0.000 1.103 417 F CA 0.958 58.980 58.000 0.037 0.000 1.248 417 F CB -0.090 38.953 39.000 0.072 0.000 0.999 417 F HN 0.266 nan 8.300 nan 0.000 0.475 418 D N -0.626 120.064 120.400 0.484 0.000 2.183 418 D HA -0.049 4.586 4.640 -0.008 0.000 0.203 418 D C 2.245 178.833 176.300 0.481 0.000 0.969 418 D CA 1.297 55.590 54.000 0.488 0.000 0.842 418 D CB -0.318 40.739 40.800 0.427 0.000 0.957 418 D HN 0.203 nan 8.370 nan 0.000 0.484 419 G N -2.351 106.673 108.800 0.373 0.000 3.126 419 G HA2 0.108 4.063 3.960 -0.008 0.000 0.224 419 G HA3 0.108 4.063 3.960 -0.008 0.000 0.224 419 G C 0.654 175.703 174.900 0.250 0.000 1.142 419 G CA -0.064 45.237 45.100 0.336 0.000 0.759 419 G HN 0.313 nan 8.290 nan 0.000 0.550 420 F N -0.231 119.717 119.950 -0.004 0.000 1.835 420 F HA 0.130 4.652 4.527 -0.008 0.000 0.231 420 F C 2.409 178.161 175.800 -0.080 0.000 1.216 420 F CA 1.106 59.073 58.000 -0.056 0.000 1.310 420 F CB -0.160 38.789 39.000 -0.085 0.000 1.827 420 F HN -0.015 nan 8.300 nan 0.000 0.352 421 T N 0.870 115.450 114.554 0.044 0.000 2.597 421 T HA -0.300 4.045 4.350 -0.008 0.000 0.267 421 T C 1.616 176.368 174.700 0.087 0.000 1.053 421 T CA 2.314 64.427 62.100 0.022 0.000 1.165 421 T CB -0.506 68.344 68.868 -0.030 0.000 0.863 421 T HN 0.263 nan 8.240 nan 0.000 0.427 422 Q N 1.681 121.595 119.800 0.190 0.000 1.993 422 Q HA -0.050 4.285 4.340 -0.008 0.000 0.202 422 Q C -0.515 175.232 176.000 -0.422 0.000 0.984 422 Q CA 1.912 57.727 55.803 0.020 0.000 0.837 422 Q CB -1.132 27.677 28.738 0.117 0.000 0.902 422 Q HN 0.376 nan 8.270 nan 0.000 0.423 423 P HA -0.170 nan 4.420 nan 0.000 0.216 423 P C 1.246 178.329 177.300 -0.362 0.000 1.153 423 P CA 1.417 63.879 63.100 -1.064 0.000 0.858 423 P CB -0.059 30.862 31.700 -1.298 0.000 0.789 424 V N 0.514 120.253 119.914 -0.292 0.000 2.295 424 V HA -0.202 3.913 4.120 -0.008 0.000 0.246 424 V C 3.076 179.103 176.094 -0.112 0.000 1.049 424 V CA 2.406 64.543 62.300 -0.272 0.000 1.024 424 V CB -1.599 29.964 31.823 -0.434 0.000 0.648 424 V HN 0.252 nan 8.190 nan 0.000 0.447 425 S N -0.319 115.369 115.700 -0.020 0.000 2.353 425 S HA -0.272 4.193 4.470 -0.008 0.000 0.222 425 S C 1.966 176.523 174.600 -0.071 0.000 1.035 425 S CA 2.169 60.410 58.200 0.069 0.000 1.025 425 S CB -0.309 62.949 63.200 0.097 0.000 0.902 425 S HN 0.734 nan 8.310 nan 0.000 0.440 426 E N -1.070 119.057 120.200 -0.122 0.000 2.150 426 E HA -0.149 4.196 4.350 -0.008 0.000 0.193 426 E C 1.714 178.267 176.600 -0.079 0.000 0.985 426 E CA 1.081 57.422 56.400 -0.098 0.000 0.814 426 E CB -0.219 29.438 29.700 -0.072 0.000 0.752 426 E HN 0.771 nan 8.360 nan 0.000 0.466 427 W N 1.332 122.392 121.300 -0.400 0.000 2.407 427 W HA -0.020 4.635 4.660 -0.008 0.000 0.305 427 W C 1.730 178.021 176.519 -0.379 0.000 1.196 427 W CA 1.029 58.062 57.345 -0.520 0.000 1.311 427 W CB -0.120 28.603 29.460 -1.228 0.000 1.135 427 W HN -0.104 nan 8.180 nan 0.000 0.514 428 I N -0.239 120.111 120.570 -0.367 0.000 2.494 428 I HA -0.145 4.020 4.170 -0.008 0.000 0.250 428 I C 2.329 178.246 176.117 -0.333 0.000 1.112 428 I CA 1.789 62.837 61.300 -0.419 0.000 1.438 428 I CB -0.838 37.083 38.000 -0.131 0.000 1.111 428 I HN 0.028 nan 8.210 nan 0.000 0.431 429 T N -2.482 111.905 114.554 -0.278 0.000 3.040 429 T HA 0.274 4.619 4.350 -0.008 0.000 0.250 429 T C 1.554 176.130 174.700 -0.207 0.000 1.058 429 T CA 0.470 62.389 62.100 -0.301 0.000 0.988 429 T CB 0.585 69.205 68.868 -0.414 0.000 0.993 429 T HN 0.480 nan 8.240 nan 0.000 0.519 430 G N 1.326 110.025 108.800 -0.168 0.000 2.153 430 G HA2 -0.244 3.711 3.960 -0.008 0.000 0.252 430 G HA3 -0.244 3.711 3.960 -0.008 0.000 0.252 430 G C -0.144 174.700 174.900 -0.092 0.000 0.994 430 G CA 0.524 45.557 45.100 -0.112 0.000 0.698 430 G HN 0.730 nan 8.290 nan 0.000 0.521 431 K N 0.160 120.495 120.400 -0.108 0.000 2.482 431 K HA 0.526 4.841 4.320 -0.008 0.000 0.257 431 K C -0.583 175.967 176.600 -0.083 0.000 0.969 431 K CA -0.682 55.552 56.287 -0.089 0.000 0.842 431 K CB 1.660 34.100 32.500 -0.100 0.000 1.359 431 K HN 0.181 nan 8.250 nan 0.000 0.441 432 D N -0.086 120.262 120.400 -0.087 0.000 2.411 432 D HA -0.038 4.597 4.640 -0.008 0.000 0.251 432 D C 0.789 177.043 176.300 -0.077 0.000 1.201 432 D CA -0.279 53.630 54.000 -0.151 0.000 0.996 432 D CB 0.180 40.843 40.800 -0.229 0.000 1.101 432 D HN 0.592 nan 8.370 nan 0.000 0.504 433 Y N -2.148 118.192 120.300 0.068 0.000 2.680 433 Y HA 0.063 4.609 4.550 -0.008 0.000 0.303 433 Y C 1.308 177.252 175.900 0.073 0.000 1.166 433 Y CA 0.301 58.459 58.100 0.097 0.000 1.344 433 Y CB -0.739 37.831 38.460 0.183 0.000 1.002 433 Y HN 0.164 nan 8.280 nan 0.000 0.537 434 Q N 0.971 120.875 119.800 0.174 0.000 2.384 434 Q HA 0.019 4.355 4.340 -0.008 0.000 0.207 434 Q C 0.248 176.285 176.000 0.062 0.000 0.904 434 Q CA 0.659 56.547 55.803 0.141 0.000 0.933 434 Q CB -0.077 28.706 28.738 0.074 0.000 1.077 434 Q HN 0.860 nan 8.270 nan 0.000 0.522 435 N N 0.317 119.033 118.700 0.026 0.000 2.994 435 N HA -0.107 4.628 4.740 -0.008 0.000 0.246 435 N C -0.917 174.579 175.510 -0.024 0.000 1.061 435 N CA -0.083 52.962 53.050 -0.009 0.000 0.845 435 N CB -0.307 38.180 38.487 -0.001 0.000 1.119 435 N HN 0.125 nan 8.380 nan 0.000 0.551 436 N N 0.511 119.194 118.700 -0.030 0.000 2.492 436 N HA 0.112 4.848 4.740 -0.008 0.000 0.289 436 N C -0.285 175.201 175.510 -0.040 0.000 1.133 436 N CA -0.153 52.879 53.050 -0.031 0.000 0.961 436 N CB 1.685 40.154 38.487 -0.030 0.000 1.186 436 N HN 0.163 nan 8.380 nan 0.000 0.493 437 S N 0.400 116.080 115.700 -0.034 0.000 2.509 437 S HA 0.362 4.827 4.470 -0.008 0.000 0.287 437 S C -0.564 174.020 174.600 -0.026 0.000 1.248 437 S CA -0.445 57.735 58.200 -0.033 0.000 1.089 437 S CB -0.579 62.605 63.200 -0.026 0.000 0.900 437 S HN 0.612 nan 8.310 nan 0.000 0.496 438 A N 4.139 126.943 122.820 -0.027 0.000 2.522 438 A HA 0.551 4.866 4.320 -0.008 0.000 0.290 438 A C -0.458 177.125 177.584 -0.002 0.000 1.047 438 A CA -0.556 51.478 52.037 -0.005 0.000 0.935 438 A CB 1.039 20.036 19.000 -0.005 0.000 1.451 438 A HN 0.793 nan 8.150 nan 0.000 0.398 439 S N 2.473 118.183 115.700 0.018 0.000 2.542 439 S HA 0.906 5.371 4.470 -0.008 0.000 0.293 439 S C -0.410 174.235 174.600 0.074 0.000 1.089 439 S CA -0.497 57.715 58.200 0.020 0.000 0.961 439 S CB 0.837 64.033 63.200 -0.007 0.000 1.062 439 S HN 1.473 nan 8.310 nan 0.000 0.483 440 I N 1.026 121.661 120.570 0.107 0.000 2.934 440 I HA 0.739 4.904 4.170 -0.008 0.000 0.306 440 I C 0.033 176.275 176.117 0.208 0.000 1.110 440 I CA -0.959 60.443 61.300 0.171 0.000 1.019 440 I CB 2.090 40.241 38.000 0.251 0.000 1.227 440 I HN 0.651 nan 8.210 nan 0.000 0.434 441 S N 2.036 117.851 115.700 0.192 0.000 2.686 441 S HA 0.312 4.777 4.470 -0.008 0.000 0.270 441 S C 0.881 175.643 174.600 0.271 0.000 1.194 441 S CA 0.044 58.373 58.200 0.216 0.000 0.990 441 S CB 1.196 64.479 63.200 0.138 0.000 1.029 441 S HN 0.743 nan 8.310 nan 0.000 0.560 442 T N 1.545 116.278 114.554 0.299 0.000 2.746 442 T HA -0.091 4.254 4.350 -0.008 0.000 0.267 442 T C 2.148 176.823 174.700 -0.042 0.000 1.039 442 T CA 2.002 64.196 62.100 0.156 0.000 1.142 442 T CB -1.163 67.877 68.868 0.287 0.000 0.866 442 T HN 0.937 nan 8.240 nan 0.000 0.444 443 T N 1.311 115.896 114.554 0.052 0.000 2.788 443 T HA -0.133 4.212 4.350 -0.008 0.000 0.268 443 T C 1.939 176.652 174.700 0.022 0.000 1.044 443 T CA 0.975 63.098 62.100 0.038 0.000 1.139 443 T CB -0.415 68.497 68.868 0.073 0.000 0.867 443 T HN 0.424 nan 8.240 nan 0.000 0.454 444 Q N -0.249 119.588 119.800 0.062 0.000 2.123 444 Q HA 0.124 4.459 4.340 -0.008 0.000 0.199 444 Q C 1.968 178.046 176.000 0.130 0.000 0.966 444 Q CA 1.041 56.905 55.803 0.103 0.000 0.845 444 Q CB -0.322 28.506 28.738 0.151 0.000 0.907 444 Q HN 0.654 nan 8.270 nan 0.000 0.439 445 F N 1.951 121.779 119.950 -0.204 0.000 2.069 445 F HA -0.288 4.234 4.527 -0.008 0.000 0.298 445 F C 1.953 177.501 175.800 -0.420 0.000 1.113 445 F CA 1.747 59.475 58.000 -0.453 0.000 1.214 445 F CB 0.048 38.370 39.000 -1.129 0.000 0.978 445 F HN 0.078 nan 8.300 nan 0.000 0.474 446 D N -0.573 119.493 120.400 -0.557 0.000 2.117 446 D HA -0.228 4.407 4.640 -0.008 0.000 0.197 446 D C 2.301 178.519 176.300 -0.137 0.000 0.987 446 D CA 1.567 55.319 54.000 -0.413 0.000 0.829 446 D CB -0.271 40.433 40.800 -0.161 0.000 0.961 446 D HN 0.261 nan 8.370 nan 0.000 0.460 447 S N -1.015 114.656 115.700 -0.050 0.000 2.368 447 S HA -0.156 4.309 4.470 -0.008 0.000 0.225 447 S C 1.781 176.405 174.600 0.038 0.000 1.030 447 S CA 1.115 59.319 58.200 0.008 0.000 0.999 447 S CB -0.690 62.520 63.200 0.017 0.000 0.844 447 S HN 0.537 nan 8.310 nan 0.000 0.459 448 W N 2.102 123.311 121.300 -0.151 0.000 2.333 448 W HA -0.106 4.549 4.660 -0.008 0.000 0.316 448 W C 1.860 178.286 176.519 -0.154 0.000 1.215 448 W CA 1.248 58.517 57.345 -0.128 0.000 1.278 448 W CB -1.092 28.303 29.460 -0.109 0.000 1.154 448 W HN 0.356 nan 8.180 nan 0.000 0.486 449 L N 0.131 121.369 121.223 0.026 0.000 2.012 449 L HA -0.242 4.093 4.340 -0.008 0.000 0.210 449 L C 2.789 179.665 176.870 0.010 0.000 1.073 449 L CA 2.031 56.828 54.840 -0.072 0.000 0.748 449 L CB -1.079 40.755 42.059 -0.375 0.000 0.891 449 L HN -0.078 nan 8.230 nan 0.000 0.431 450 R N 0.342 120.829 120.500 -0.022 0.000 2.081 450 R HA -0.137 4.198 4.340 -0.008 0.000 0.235 450 R C 2.271 178.562 176.300 -0.014 0.000 1.131 450 R CA 1.574 57.665 56.100 -0.015 0.000 0.960 450 R CB -0.543 29.765 30.300 0.014 0.000 0.856 450 R HN 0.358 nan 8.270 nan 0.000 0.436 451 G N -0.493 108.303 108.800 -0.008 0.000 2.422 451 G HA2 -0.284 3.671 3.960 -0.008 0.000 0.218 451 G HA3 -0.284 3.671 3.960 -0.008 0.000 0.218 451 G C 1.474 176.368 174.900 -0.011 0.000 1.146 451 G CA 1.253 46.328 45.100 -0.041 0.000 0.769 451 G HN 0.564 nan 8.290 nan 0.000 0.547 452 T N -1.096 113.510 114.554 0.086 0.000 2.904 452 T HA 0.043 4.388 4.350 -0.008 0.000 0.267 452 T C 2.293 177.094 174.700 0.168 0.000 1.059 452 T CA 0.714 62.903 62.100 0.149 0.000 1.137 452 T CB -0.170 68.887 68.868 0.315 0.000 0.879 452 T HN 0.267 nan 8.240 nan 0.000 0.467 453 R N 1.250 121.832 120.500 0.137 0.000 2.092 453 R HA 0.199 4.535 4.340 -0.008 0.000 0.231 453 R C 2.862 179.224 176.300 0.103 0.000 1.119 453 R CA 1.124 57.308 56.100 0.140 0.000 0.970 453 R CB -0.600 29.708 30.300 0.014 0.000 0.864 453 R HN 0.516 nan 8.270 nan 0.000 0.440 454 A N 1.474 124.297 122.820 0.005 0.000 2.125 454 A HA -0.121 4.194 4.320 -0.008 0.000 0.219 454 A C 1.424 178.982 177.584 -0.043 0.000 1.156 454 A CA 1.092 53.095 52.037 -0.057 0.000 0.671 454 A CB -0.291 18.623 19.000 -0.143 0.000 0.794 454 A HN 0.252 nan 8.150 nan 0.000 0.459 455 N N -1.132 117.488 118.700 -0.133 0.000 2.459 455 N HA 0.017 4.752 4.740 -0.008 0.000 0.181 455 N C -0.518 174.740 175.510 -0.421 0.000 1.046 455 N CA 0.745 53.587 53.050 -0.345 0.000 0.904 455 N CB -0.118 37.979 38.487 -0.650 0.000 0.964 455 N HN 0.644 nan 8.380 nan 0.000 0.444 456 Y N -0.432 119.879 120.300 0.018 0.000 2.524 456 Y HA 0.458 5.004 4.550 -0.008 0.000 0.344 456 Y C -2.197 173.639 175.900 -0.106 0.000 1.012 456 Y CA -2.627 55.417 58.100 -0.094 0.000 1.068 456 Y CB 1.310 39.751 38.460 -0.032 0.000 1.249 456 Y HN -0.213 nan 8.280 nan 0.000 0.468 457 P HA 0.063 nan 4.420 nan 0.000 0.269 457 P C 0.481 177.851 177.300 0.116 0.000 1.215 457 P CA 0.234 63.340 63.100 0.009 0.000 0.780 457 P CB 0.779 32.479 31.700 -0.001 0.000 0.898 458 T N 0.725 115.370 114.554 0.151 0.000 2.720 458 T HA -0.199 4.146 4.350 -0.008 0.000 0.268 458 T C 1.435 176.125 174.700 -0.017 0.000 1.037 458 T CA 2.147 64.297 62.100 0.083 0.000 1.144 458 T CB -1.076 67.855 68.868 0.105 0.000 0.864 458 T HN 0.658 nan 8.240 nan 0.000 0.444 459 N N 0.944 119.608 118.700 -0.060 0.000 2.244 459 N HA -0.074 4.661 4.740 -0.008 0.000 0.183 459 N C 1.727 177.124 175.510 -0.188 0.000 1.016 459 N CA 0.685 53.633 53.050 -0.170 0.000 0.866 459 N CB -0.412 37.901 38.487 -0.291 0.000 0.980 459 N HN 0.181 nan 8.380 nan 0.000 0.430 460 V N 1.281 121.126 119.914 -0.114 0.000 2.358 460 V HA -0.204 3.911 4.120 -0.008 0.000 0.246 460 V C 2.592 178.570 176.094 -0.194 0.000 1.047 460 V CA 1.584 63.817 62.300 -0.112 0.000 1.035 460 V CB -0.727 31.100 31.823 0.006 0.000 0.658 460 V HN 0.348 nan 8.190 nan 0.000 0.452 461 Q N -0.179 119.541 119.800 -0.133 0.000 2.045 461 Q HA -0.314 4.021 4.340 -0.008 0.000 0.206 461 Q C 2.265 178.144 176.000 -0.202 0.000 0.991 461 Q CA 2.125 57.835 55.803 -0.154 0.000 0.851 461 Q CB -0.263 28.433 28.738 -0.071 0.000 0.911 461 Q HN 0.690 nan 8.270 nan 0.000 0.418 462 Q N -0.449 119.241 119.800 -0.183 0.000 2.437 462 Q HA -0.034 4.301 4.340 -0.008 0.000 0.210 462 Q C 1.230 177.098 176.000 -0.219 0.000 0.972 462 Q CA 0.849 56.534 55.803 -0.196 0.000 0.903 462 Q CB 0.319 28.957 28.738 -0.166 0.000 0.967 462 Q HN 0.134 nan 8.270 nan 0.000 0.486 463 S N -0.571 114.989 115.700 -0.234 0.000 2.539 463 S HA 0.178 4.643 4.470 -0.008 0.000 0.221 463 S C 0.377 174.832 174.600 -0.242 0.000 0.987 463 S CA -0.208 57.840 58.200 -0.254 0.000 0.929 463 S CB 0.375 63.414 63.200 -0.269 0.000 0.832 463 S HN 0.231 nan 8.310 nan 0.000 0.492 464 M N 1.697 121.147 119.600 -0.249 0.000 2.250 464 M HA 0.177 4.653 4.480 -0.008 0.000 0.325 464 M C 0.119 176.279 176.300 -0.233 0.000 1.084 464 M CA 0.504 55.656 55.300 -0.247 0.000 1.161 464 M CB -0.299 32.142 32.600 -0.264 0.000 1.481 464 M HN 0.226 nan 8.290 nan 0.000 0.449 465 M N 4.045 123.524 119.600 -0.202 0.000 2.261 465 M HA 0.151 4.626 4.480 -0.008 0.000 0.349 465 M C -0.837 175.280 176.300 -0.304 0.000 1.305 465 M CA -0.245 54.960 55.300 -0.158 0.000 1.240 465 M CB -0.167 32.415 32.600 -0.029 0.000 1.394 465 M HN 0.399 nan 8.290 nan 0.000 0.438 466 N N 7.007 125.425 118.700 -0.471 0.000 2.500 466 N HA 0.326 5.061 4.740 -0.008 0.000 0.236 466 N C -1.375 173.697 175.510 -0.730 0.000 1.022 466 N CA 0.010 52.454 53.050 -1.011 0.000 0.935 466 N CB 0.178 37.650 38.487 -1.692 0.000 1.147 466 N HN 0.475 nan 8.380 nan 0.000 0.512 467 F N -1.068 118.734 119.950 -0.247 0.000 2.522 467 F HA 0.536 5.058 4.527 -0.008 0.000 0.324 467 F C 0.922 176.868 175.800 0.243 0.000 1.077 467 F CA -1.141 56.848 58.000 -0.018 0.000 0.944 467 F CB 1.198 40.150 39.000 -0.081 0.000 1.175 467 F HN 0.021 nan 8.300 nan 0.000 0.468 468 L N 0.725 122.199 121.223 0.419 0.000 2.162 468 L HA 0.160 4.495 4.340 -0.008 0.000 0.205 468 L C 0.251 177.333 176.870 0.353 0.000 1.086 468 L CA 0.752 55.759 54.840 0.278 0.000 0.778 468 L CB -0.294 41.768 42.059 0.004 0.000 0.928 468 L HN 0.744 nan 8.230 nan 0.000 0.446 469 S N -0.782 115.139 115.700 0.369 0.000 2.638 469 S HA 0.590 5.055 4.470 -0.008 0.000 0.274 469 S C -1.107 173.418 174.600 -0.125 0.000 1.157 469 S CA -0.923 57.417 58.200 0.235 0.000 0.826 469 S CB 2.257 65.612 63.200 0.259 0.000 1.139 469 S HN 0.325 nan 8.310 nan 0.000 0.474 470 N N -0.477 117.880 118.700 -0.571 0.000 3.308 470 N HA 0.134 4.869 4.740 -0.008 0.000 0.276 470 N C 0.053 174.901 175.510 -1.103 0.000 1.533 470 N CA -0.593 51.630 53.050 -1.377 0.000 0.878 470 N CB -0.267 37.535 38.487 -1.141 0.000 1.566 470 N HN 0.742 nan 8.380 nan 0.000 0.546 471 H N -1.331 117.176 119.070 -0.938 0.000 2.567 471 H HA 0.148 4.699 4.556 -0.008 0.000 0.276 471 H C -0.676 174.544 175.328 -0.179 0.000 1.016 471 H CA 0.926 56.785 56.048 -0.316 0.000 1.186 471 H CB -0.210 29.555 29.762 0.004 0.000 1.351 471 H HN 0.496 nan 8.280 nan 0.000 0.605 472 D N 0.648 120.728 120.400 -0.534 0.000 2.469 472 D HA 0.221 4.856 4.640 -0.008 0.000 0.213 472 D C 1.042 177.246 176.300 -0.159 0.000 1.135 472 D CA 0.025 53.814 54.000 -0.351 0.000 0.834 472 D CB 1.137 41.682 40.800 -0.425 0.000 1.009 472 D HN 0.551 nan 8.370 nan 0.000 0.507 473 I N -2.384 118.115 120.570 -0.118 0.000 3.264 473 I HA 0.465 4.630 4.170 -0.008 0.000 0.315 473 I C 0.063 176.199 176.117 0.031 0.000 1.154 473 I CA -1.058 60.247 61.300 0.008 0.000 0.962 473 I CB 1.730 39.768 38.000 0.063 0.000 1.265 473 I HN -0.277 nan 8.210 nan 0.000 0.463 474 T N 0.165 114.772 114.554 0.089 0.000 2.913 474 T HA 0.362 4.707 4.350 -0.008 0.000 0.297 474 T C 0.354 175.112 174.700 0.097 0.000 1.029 474 T CA -0.702 61.441 62.100 0.073 0.000 1.104 474 T CB 0.686 69.592 68.868 0.063 0.000 0.964 474 T HN 0.510 nan 8.240 nan 0.000 0.532 475 R N 1.575 122.121 120.500 0.077 0.000 2.570 475 R HA 0.074 4.409 4.340 -0.008 0.000 0.277 475 R C 0.899 177.271 176.300 0.119 0.000 1.039 475 R CA -0.226 55.937 56.100 0.105 0.000 1.065 475 R CB -0.204 30.119 30.300 0.037 0.000 0.964 475 R HN 0.849 nan 8.270 nan 0.000 0.428 476 F N 2.699 122.676 119.950 0.044 0.000 2.161 476 F HA -0.240 4.283 4.527 -0.008 0.000 0.300 476 F C 2.027 177.825 175.800 -0.003 0.000 1.089 476 F CA 2.044 60.063 58.000 0.032 0.000 1.282 476 F CB -0.037 38.994 39.000 0.052 0.000 1.010 476 F HN 0.694 nan 8.300 nan 0.000 0.485 477 A N -0.984 121.900 122.820 0.106 0.000 1.972 477 A HA -0.171 4.144 4.320 -0.008 0.000 0.219 477 A C 2.183 179.722 177.584 -0.075 0.000 1.169 477 A CA 2.232 54.277 52.037 0.013 0.000 0.635 477 A CB -1.264 17.754 19.000 0.031 0.000 0.810 477 A HN 0.429 nan 8.150 nan 0.000 0.446 478 T N -0.830 113.683 114.554 -0.068 0.000 2.851 478 T HA -0.041 4.304 4.350 -0.008 0.000 0.262 478 T C 2.020 176.646 174.700 -0.123 0.000 1.043 478 T CA 1.155 63.212 62.100 -0.071 0.000 1.140 478 T CB -0.170 68.677 68.868 -0.034 0.000 0.872 478 T HN 0.492 nan 8.240 nan 0.000 0.446 479 R N 1.564 121.960 120.500 -0.174 0.000 2.193 479 R HA -0.040 4.295 4.340 -0.008 0.000 0.229 479 R C 2.438 178.545 176.300 -0.321 0.000 1.110 479 R CA 1.433 57.395 56.100 -0.230 0.000 0.988 479 R CB -0.174 29.969 30.300 -0.261 0.000 0.871 479 R HN 0.415 nan 8.270 nan 0.000 0.458 480 S N -1.135 114.331 115.700 -0.389 0.000 2.593 480 S HA 0.128 4.593 4.470 -0.008 0.000 0.217 480 S C 1.310 175.790 174.600 -0.201 0.000 0.966 480 S CA 0.234 58.215 58.200 -0.364 0.000 0.914 480 S CB 0.764 63.715 63.200 -0.415 0.000 0.776 480 S HN 0.446 nan 8.310 nan 0.000 0.523 481 G N 0.811 109.520 108.800 -0.151 0.000 2.153 481 G HA2 0.037 3.992 3.960 -0.008 0.000 0.252 481 G HA3 0.037 3.992 3.960 -0.008 0.000 0.252 481 G C 1.050 175.909 174.900 -0.069 0.000 0.994 481 G CA 0.306 45.349 45.100 -0.095 0.000 0.698 481 G HN 1.856 nan 8.290 nan 0.000 0.521 482 G N -0.895 107.863 108.800 -0.070 0.000 2.176 482 G HA2 -0.182 3.773 3.960 -0.008 0.000 0.253 482 G HA3 -0.182 3.773 3.960 -0.008 0.000 0.253 482 G C 0.125 175.010 174.900 -0.026 0.000 0.979 482 G CA 0.905 45.982 45.100 -0.038 0.000 0.641 482 G HN 1.464 nan 8.290 nan 0.000 0.530 483 D N 0.582 120.957 120.400 -0.042 0.000 2.374 483 D HA 0.393 5.028 4.640 -0.008 0.000 0.240 483 D C 1.657 177.941 176.300 -0.028 0.000 1.229 483 D CA -0.562 53.432 54.000 -0.009 0.000 0.895 483 D CB 0.530 41.318 40.800 -0.019 0.000 1.046 483 D HN 0.031 nan 8.370 nan 0.000 0.498 484 L N 4.238 125.427 121.223 -0.056 0.000 2.081 484 L HA -0.124 4.211 4.340 -0.008 0.000 0.212 484 L C 1.449 177.931 176.870 -0.648 0.000 1.080 484 L CA 1.632 56.302 54.840 -0.283 0.000 0.754 484 L CB -0.375 41.483 42.059 -0.335 0.000 0.893 484 L HN 0.566 nan 8.230 nan 0.000 0.433 485 W N -0.123 120.809 121.300 -0.613 0.000 2.350 485 W HA -0.199 4.456 4.660 -0.007 0.000 0.289 485 W C 2.523 178.952 176.519 -0.149 0.000 1.215 485 W CA 1.264 58.334 57.345 -0.458 0.000 1.236 485 W CB -0.449 28.984 29.460 -0.044 0.000 1.130 485 W HN 0.055 nan 8.180 nan 0.000 0.541 486 K N -0.815 119.595 120.400 0.016 0.000 2.147 486 K HA -0.111 4.204 4.320 -0.008 0.000 0.205 486 K C 1.892 178.656 176.600 0.274 0.000 1.049 486 K CA 1.740 58.024 56.287 -0.006 0.000 0.936 486 K CB -0.513 31.896 32.500 -0.153 0.000 0.722 486 K HN 0.046 nan 8.250 nan 0.000 0.446 487 T N 0.455 115.140 114.554 0.220 0.000 2.821 487 T HA -0.103 4.242 4.350 -0.008 0.000 0.267 487 T C 1.551 176.404 174.700 0.255 0.000 1.046 487 T CA 1.023 63.278 62.100 0.258 0.000 1.139 487 T CB -0.291 68.686 68.868 0.181 0.000 0.871 487 T HN 0.288 nan 8.240 nan 0.000 0.454 488 Y N 0.582 120.973 120.300 0.153 0.000 2.097 488 Y HA -0.182 4.364 4.550 -0.008 0.000 0.282 488 Y C 2.499 178.493 175.900 0.157 0.000 1.152 488 Y CA 0.381 58.569 58.100 0.147 0.000 1.136 488 Y CB -0.396 38.196 38.460 0.220 0.000 0.975 488 Y HN 0.114 nan 8.280 nan 0.000 0.498 489 L N 0.551 122.012 121.223 0.397 0.000 2.012 489 L HA -0.225 4.111 4.340 -0.008 0.000 0.210 489 L C 2.462 179.494 176.870 0.270 0.000 1.073 489 L CA 1.985 57.013 54.840 0.312 0.000 0.748 489 L CB -1.028 41.192 42.059 0.269 0.000 0.891 489 L HN 0.165 nan 8.230 nan 0.000 0.431 490 A N -0.614 122.310 122.820 0.173 0.000 1.877 490 A HA -0.184 4.131 4.320 -0.008 0.000 0.216 490 A C 2.267 179.939 177.584 0.146 0.000 1.186 490 A CA 2.010 54.070 52.037 0.038 0.000 0.620 490 A CB -0.955 17.720 19.000 -0.543 0.000 0.822 490 A HN 0.493 nan 8.150 nan 0.000 0.443 491 L N -0.452 120.843 121.223 0.120 0.000 2.012 491 L HA -0.236 4.100 4.340 -0.008 0.000 0.210 491 L C 2.534 179.517 176.870 0.189 0.000 1.073 491 L CA 1.568 56.497 54.840 0.148 0.000 0.748 491 L CB -0.626 41.515 42.059 0.137 0.000 0.891 491 L HN 0.401 nan 8.230 nan 0.000 0.431 492 I N -1.035 119.652 120.570 0.194 0.000 2.208 492 I HA -0.345 3.820 4.170 -0.008 0.000 0.245 492 I C 2.514 178.812 176.117 0.303 0.000 1.097 492 I CA 1.514 62.925 61.300 0.185 0.000 1.363 492 I CB -0.376 37.699 38.000 0.124 0.000 1.051 492 I HN 0.175 nan 8.210 nan 0.000 0.413 493 F N 1.571 121.686 119.950 0.274 0.000 2.084 493 F HA -0.260 4.262 4.527 -0.008 0.000 0.296 493 F C 2.705 178.741 175.800 0.393 0.000 1.111 493 F CA 1.939 60.169 58.000 0.384 0.000 1.224 493 F CB -0.570 38.652 39.000 0.369 0.000 0.991 493 F HN 0.013 nan 8.300 nan 0.000 0.471 494 Q N -0.328 119.686 119.800 0.356 0.000 2.077 494 Q HA -0.237 4.098 4.340 -0.008 0.000 0.206 494 Q C 1.965 178.040 176.000 0.125 0.000 0.989 494 Q CA 2.043 58.045 55.803 0.332 0.000 0.853 494 Q CB -0.160 28.812 28.738 0.391 0.000 0.907 494 Q HN 0.340 nan 8.270 nan 0.000 0.418 495 M N 0.002 119.678 119.600 0.128 0.000 2.686 495 M HA -0.031 4.444 4.480 -0.008 0.000 0.246 495 M C 1.401 177.757 176.300 0.092 0.000 1.096 495 M CA 1.194 56.549 55.300 0.091 0.000 1.076 495 M CB -0.295 32.362 32.600 0.095 0.000 1.504 495 M HN 0.325 nan 8.290 nan 0.000 0.524 496 T N -4.612 110.010 114.554 0.113 0.000 3.043 496 T HA 0.132 4.477 4.350 -0.008 0.000 0.272 496 T C 0.213 175.032 174.700 0.199 0.000 0.990 496 T CA -0.406 61.793 62.100 0.165 0.000 0.897 496 T CB 0.018 69.022 68.868 0.227 0.000 1.111 496 T HN 0.097 nan 8.240 nan 0.000 0.529 497 Y N 1.678 121.890 120.300 -0.148 0.000 2.436 497 Y HA 0.616 5.161 4.550 -0.008 0.000 0.336 497 Y C -0.105 175.724 175.900 -0.118 0.000 1.318 497 Y CA -1.966 55.983 58.100 -0.252 0.000 1.493 497 Y CB 0.924 38.999 38.460 -0.642 0.000 1.547 497 Y HN -0.055 nan 8.280 nan 0.000 0.549 498 V N 2.727 121.971 119.914 -1.117 0.000 2.385 498 V HA 0.613 4.728 4.120 -0.008 0.000 0.269 498 V C 0.246 176.021 176.094 -0.531 0.000 1.043 498 V CA 0.515 62.367 62.300 -0.745 0.000 0.906 498 V CB -0.132 31.198 31.823 -0.822 0.000 0.995 498 V HN 1.019 nan 8.190 nan 0.000 0.467 499 G N 3.517 112.130 108.800 -0.312 0.000 2.362 499 G HA2 -0.000 3.955 3.960 -0.008 0.000 0.656 499 G HA3 -0.000 3.955 3.960 -0.008 0.000 0.656 499 G C -0.513 174.249 174.900 -0.231 0.000 1.376 499 G CA -0.783 44.160 45.100 -0.262 0.000 0.971 499 G HN 0.580 nan 8.290 nan 0.000 0.636 500 T N 3.291 117.712 114.554 -0.222 0.000 2.751 500 T HA 0.444 4.789 4.350 -0.008 0.000 0.290 500 T C -2.188 172.401 174.700 -0.185 0.000 0.919 500 T CA -0.120 61.876 62.100 -0.172 0.000 1.136 500 T CB 0.909 69.686 68.868 -0.151 0.000 0.875 500 T HN 0.373 nan 8.240 nan 0.000 0.532 501 P HA 0.180 nan 4.420 nan 0.000 0.267 501 P C -0.488 176.787 177.300 -0.042 0.000 1.209 501 P CA -0.054 62.973 63.100 -0.121 0.000 0.763 501 P CB 0.389 32.069 31.700 -0.033 0.000 0.816 502 T N 4.944 119.479 114.554 -0.032 0.000 2.815 502 T HA 0.474 4.819 4.350 -0.008 0.000 0.289 502 T C 0.162 174.935 174.700 0.121 0.000 1.000 502 T CA -0.347 61.800 62.100 0.077 0.000 0.958 502 T CB 0.384 69.333 68.868 0.135 0.000 0.944 502 T HN 0.178 nan 8.240 nan 0.000 0.442 503 I N 3.746 124.376 120.570 0.100 0.000 2.297 503 I HA 0.215 4.380 4.170 -0.008 0.000 0.291 503 I C -0.461 175.602 176.117 -0.090 0.000 1.033 503 I CA -0.921 60.414 61.300 0.058 0.000 1.253 503 I CB 0.492 38.572 38.000 0.134 0.000 1.396 503 I HN 0.593 nan 8.210 nan 0.000 0.476 504 Y N 9.513 129.730 120.300 -0.139 0.000 2.584 504 Y HA 0.067 4.612 4.550 -0.008 0.000 0.351 504 Y C 0.221 175.964 175.900 -0.261 0.000 1.030 504 Y CA -1.371 56.623 58.100 -0.177 0.000 1.332 504 Y CB -0.359 38.042 38.460 -0.098 0.000 1.148 504 Y HN 0.472 nan 8.280 nan 0.000 0.528 505 Y N 5.007 124.824 120.300 -0.803 0.000 3.079 505 Y HA 0.106 4.651 4.550 -0.008 0.000 0.368 505 Y C 1.103 176.814 175.900 -0.315 0.000 1.224 505 Y CA 0.518 58.254 58.100 -0.607 0.000 1.599 505 Y CB -0.225 37.944 38.460 -0.484 0.000 1.098 505 Y HN 0.982 nan 8.280 nan 0.000 0.588 506 G N 2.765 111.456 108.800 -0.181 0.000 2.317 506 G HA2 -0.365 3.590 3.960 -0.008 0.000 0.227 506 G HA3 -0.365 3.590 3.960 -0.008 0.000 0.227 506 G C 0.690 175.107 174.900 -0.804 0.000 1.042 506 G CA 0.324 44.966 45.100 -0.763 0.000 0.623 506 G HN 0.636 nan 8.290 nan 0.000 0.509 507 D N 1.503 121.651 120.400 -0.419 0.000 2.221 507 D HA -0.032 4.603 4.640 -0.008 0.000 0.204 507 D C 2.472 178.719 176.300 -0.089 0.000 0.982 507 D CA 1.444 55.326 54.000 -0.197 0.000 0.857 507 D CB -0.084 40.694 40.800 -0.036 0.000 0.934 507 D HN 0.755 nan 8.370 nan 0.000 0.475 508 E N 0.342 120.536 120.200 -0.011 0.000 2.409 508 E HA -0.195 4.150 4.350 -0.008 0.000 0.198 508 E C 1.036 177.744 176.600 0.179 0.000 1.024 508 E CA 0.771 57.253 56.400 0.135 0.000 0.861 508 E CB -0.473 29.389 29.700 0.268 0.000 0.788 508 E HN 0.577 nan 8.360 nan 0.000 0.521 509 Y N -1.881 118.464 120.300 0.074 0.000 2.588 509 Y HA 0.622 5.167 4.550 -0.009 0.000 0.247 509 Y C 1.134 177.031 175.900 -0.005 0.000 1.157 509 Y CA -0.916 57.199 58.100 0.025 0.000 1.215 509 Y CB 0.371 38.796 38.460 -0.058 0.000 1.245 509 Y HN 0.016 nan 8.280 nan 0.000 0.534 510 G N 1.172 110.005 108.800 0.055 0.000 2.132 510 G HA2 -0.326 3.630 3.960 -0.008 0.000 0.234 510 G HA3 -0.326 3.630 3.960 -0.008 0.000 0.234 510 G C 0.250 175.146 174.900 -0.006 0.000 0.989 510 G CA 0.069 45.207 45.100 0.063 0.000 0.676 510 G HN 0.578 nan 8.290 nan 0.000 0.522 511 M N 0.699 120.134 119.600 -0.274 0.000 2.240 511 M HA 0.175 4.650 4.480 -0.008 0.000 0.346 511 M C 0.789 177.011 176.300 -0.130 0.000 1.236 511 M CA 0.901 56.062 55.300 -0.231 0.000 0.986 511 M CB 0.233 32.474 32.600 -0.598 0.000 1.786 511 M HN 0.466 nan 8.290 nan 0.000 0.457 512 Q N 2.379 122.138 119.800 -0.068 0.000 2.166 512 Q HA 0.845 5.180 4.340 -0.008 0.000 0.226 512 Q C -0.372 175.591 176.000 -0.063 0.000 0.989 512 Q CA -0.651 55.124 55.803 -0.047 0.000 0.966 512 Q CB 2.001 30.726 28.738 -0.021 0.000 1.173 512 Q HN 0.947 nan 8.270 nan 0.000 0.509 513 G N -0.958 107.822 108.800 -0.033 0.000 2.238 513 G HA2 0.358 4.313 3.960 -0.008 0.000 0.276 513 G HA3 0.358 4.313 3.960 -0.008 0.000 0.276 513 G C -0.676 174.225 174.900 0.001 0.000 1.744 513 G CA -0.474 44.610 45.100 -0.027 0.000 0.912 513 G HN 0.678 nan 8.290 nan 0.000 0.744 514 G N 0.116 108.930 108.800 0.023 0.000 2.582 514 G HA2 0.823 4.778 3.960 -0.008 0.000 0.232 514 G HA3 0.823 4.778 3.960 -0.008 0.000 0.232 514 G C 0.935 175.854 174.900 0.031 0.000 1.458 514 G CA 0.521 45.644 45.100 0.037 0.000 1.062 514 G HN 1.924 nan 8.290 nan 0.000 0.566 515 A N -0.558 122.289 122.820 0.045 0.000 2.425 515 A HA 0.399 4.715 4.320 -0.008 0.000 0.242 515 A C 0.389 177.976 177.584 0.005 0.000 1.077 515 A CA 0.208 52.264 52.037 0.032 0.000 0.781 515 A CB -0.071 18.957 19.000 0.046 0.000 1.020 515 A HN 0.734 nan 8.150 nan 0.000 0.494 516 D N 1.231 121.615 120.400 -0.026 0.000 2.629 516 D HA 0.036 4.671 4.640 -0.008 0.000 0.228 516 D C -1.180 175.085 176.300 -0.059 0.000 1.127 516 D CA -0.210 53.750 54.000 -0.067 0.000 0.855 516 D CB 0.632 41.390 40.800 -0.070 0.000 1.180 516 D HN 0.269 nan 8.370 nan 0.000 0.484 517 P HA 0.068 nan 4.420 nan 0.000 0.257 517 P C 0.190 177.305 177.300 -0.309 0.000 1.281 517 P CA -0.010 62.953 63.100 -0.228 0.000 0.826 517 P CB 0.390 31.948 31.700 -0.236 0.000 1.237 518 D N 1.477 121.719 120.400 -0.264 0.000 2.378 518 D HA -0.102 4.534 4.640 -0.008 0.000 0.222 518 D C 1.335 177.557 176.300 -0.130 0.000 0.980 518 D CA 0.677 54.560 54.000 -0.195 0.000 0.907 518 D CB -0.549 40.261 40.800 0.018 0.000 0.899 518 D HN 0.391 nan 8.370 nan 0.000 0.527 519 N N -0.828 117.802 118.700 -0.117 0.000 2.322 519 N HA 0.037 4.773 4.740 -0.008 0.000 0.194 519 N C 0.383 175.840 175.510 -0.089 0.000 1.126 519 N CA -0.223 52.792 53.050 -0.058 0.000 0.845 519 N CB 0.355 38.843 38.487 0.002 0.000 0.976 519 N HN -0.049 nan 8.380 nan 0.000 0.475 520 R N 1.008 121.369 120.500 -0.232 0.000 2.816 520 R HA 0.252 4.587 4.340 -0.008 0.000 0.382 520 R C -0.411 175.682 176.300 -0.345 0.000 1.140 520 R CA -0.487 55.404 56.100 -0.348 0.000 1.050 520 R CB 0.496 30.378 30.300 -0.698 0.000 1.396 520 R HN 0.122 nan 8.270 nan 0.000 0.583 521 R N 1.085 121.395 120.500 -0.317 0.000 2.694 521 R HA 0.099 4.434 4.340 -0.008 0.000 0.268 521 R C 0.542 176.597 176.300 -0.408 0.000 1.061 521 R CA 0.033 55.889 56.100 -0.406 0.000 1.133 521 R CB 0.508 30.637 30.300 -0.286 0.000 1.020 521 R HN 0.182 nan 8.270 nan 0.000 0.475 522 S N 1.220 116.493 115.700 -0.711 0.000 2.579 522 S HA 0.043 4.509 4.470 -0.008 0.000 0.275 522 S C -0.167 174.312 174.600 -0.201 0.000 1.345 522 S CA -0.648 57.116 58.200 -0.726 0.000 1.031 522 S CB 0.417 62.663 63.200 -1.591 0.000 0.892 522 S HN 0.458 nan 8.310 nan 0.000 0.529 523 F N 2.149 122.132 119.950 0.055 0.000 2.444 523 F HA 0.226 4.749 4.527 -0.008 0.000 0.360 523 F C 0.482 176.392 175.800 0.183 0.000 1.106 523 F CA -0.750 57.349 58.000 0.164 0.000 1.170 523 F CB 0.426 39.547 39.000 0.201 0.000 1.113 523 F HN 0.691 nan 8.300 nan 0.000 0.521 524 D N 6.059 126.344 120.400 -0.192 0.000 2.383 524 D HA -0.066 4.570 4.640 -0.008 0.000 0.245 524 D C 0.483 176.580 176.300 -0.340 0.000 1.263 524 D CA -0.059 53.858 54.000 -0.138 0.000 0.936 524 D CB 0.100 40.730 40.800 -0.284 0.000 1.053 524 D HN 0.646 nan 8.370 nan 0.000 0.507 525 W N 2.015 123.417 121.300 0.169 0.000 2.632 525 W HA -0.120 4.535 4.660 -0.007 0.000 0.248 525 W C 2.434 178.918 176.519 -0.058 0.000 1.259 525 W CA 0.698 58.101 57.345 0.097 0.000 1.288 525 W CB -0.092 29.403 29.460 0.058 0.000 1.136 525 W HN 0.472 nan 8.180 nan 0.000 0.640 526 S N -1.209 114.515 115.700 0.041 0.000 2.562 526 S HA -0.059 4.406 4.470 -0.008 0.000 0.221 526 S C 1.540 176.062 174.600 -0.129 0.000 0.975 526 S CA 0.481 58.673 58.200 -0.013 0.000 0.918 526 S CB -0.035 63.157 63.200 -0.012 0.000 0.772 526 S HN 0.231 nan 8.310 nan 0.000 0.531 527 Q N 0.509 120.113 119.800 -0.328 0.000 2.352 527 Q HA 0.393 4.728 4.340 -0.008 0.000 0.212 527 Q C 0.907 176.738 176.000 -0.282 0.000 0.888 527 Q CA 0.526 56.046 55.803 -0.470 0.000 0.934 527 Q CB 0.424 28.492 28.738 -1.116 0.000 1.093 527 Q HN 0.670 nan 8.270 nan 0.000 0.523 528 A N 2.030 124.749 122.820 -0.168 0.000 3.033 528 A HA 0.238 4.553 4.320 -0.008 0.000 0.250 528 A C 0.267 177.978 177.584 0.212 0.000 1.633 528 A CA 0.134 52.203 52.037 0.054 0.000 1.290 528 A CB -0.835 18.012 19.000 -0.255 0.000 1.048 528 A HN 0.165 nan 8.150 nan 0.000 0.648 529 T N -3.764 110.894 114.554 0.174 0.000 2.903 529 T HA 0.579 4.924 4.350 -0.008 0.000 0.299 529 T C -2.315 172.471 174.700 0.145 0.000 1.093 529 T CA -1.529 60.675 62.100 0.172 0.000 1.002 529 T CB 2.176 71.104 68.868 0.099 0.000 1.127 529 T HN -0.018 nan 8.240 nan 0.000 0.488 530 P HA -0.072 nan 4.420 nan 0.000 0.226 530 P C 1.465 178.802 177.300 0.062 0.000 1.146 530 P CA 0.696 63.850 63.100 0.090 0.000 0.773 530 P CB 0.062 31.803 31.700 0.069 0.000 0.772 531 S N -0.670 115.064 115.700 0.057 0.000 2.469 531 S HA -0.080 4.385 4.470 -0.008 0.000 0.238 531 S C 1.095 175.716 174.600 0.035 0.000 0.998 531 S CA 0.073 58.296 58.200 0.038 0.000 0.957 531 S CB -0.929 62.289 63.200 0.030 0.000 0.764 531 S HN 0.195 nan 8.310 nan 0.000 0.514 532 N N 0.429 119.159 118.700 0.049 0.000 2.518 532 N HA 0.178 4.913 4.740 -0.008 0.000 0.283 532 N C 0.764 176.318 175.510 0.072 0.000 1.119 532 N CA 0.104 53.188 53.050 0.056 0.000 0.983 532 N CB 1.571 40.095 38.487 0.061 0.000 1.139 532 N HN 0.058 nan 8.380 nan 0.000 0.465 533 S N 2.702 118.453 115.700 0.084 0.000 2.348 533 S HA -0.150 4.315 4.470 -0.008 0.000 0.221 533 S C 1.847 176.492 174.600 0.074 0.000 1.033 533 S CA 1.636 59.875 58.200 0.065 0.000 1.010 533 S CB -0.365 62.934 63.200 0.164 0.000 0.891 533 S HN 0.781 nan 8.310 nan 0.000 0.442 534 A N 1.026 123.982 122.820 0.227 0.000 1.902 534 A HA -0.038 4.277 4.320 -0.008 0.000 0.217 534 A C 2.355 180.037 177.584 0.164 0.000 1.181 534 A CA 1.496 53.681 52.037 0.246 0.000 0.623 534 A CB -0.959 18.214 19.000 0.288 0.000 0.818 534 A HN 0.329 nan 8.150 nan 0.000 0.443 535 V N 0.000 120.023 119.914 0.181 0.000 2.255 535 V HA -0.296 3.819 4.120 -0.008 0.000 0.247 535 V C 3.092 179.254 176.094 0.113 0.000 1.051 535 V CA 2.103 64.514 62.300 0.185 0.000 1.018 535 V CB -1.348 30.615 31.823 0.233 0.000 0.641 535 V HN 0.624 nan 8.190 nan 0.000 0.445 536 A N -0.692 122.174 122.820 0.077 0.000 1.948 536 A HA -0.230 4.085 4.320 -0.008 0.000 0.220 536 A C 2.302 179.892 177.584 0.010 0.000 1.177 536 A CA 2.196 54.254 52.037 0.036 0.000 0.636 536 A CB -0.575 18.431 19.000 0.011 0.000 0.815 536 A HN 0.492 nan 8.150 nan 0.000 0.449 537 L N -0.844 120.372 121.223 -0.011 0.000 2.027 537 L HA -0.138 4.197 4.340 -0.008 0.000 0.206 537 L C 2.659 179.540 176.870 0.018 0.000 1.074 537 L CA 2.163 56.982 54.840 -0.034 0.000 0.745 537 L CB -0.712 41.288 42.059 -0.099 0.000 0.898 537 L HN 0.418 nan 8.230 nan 0.000 0.433 538 T N -0.711 113.878 114.554 0.057 0.000 2.684 538 T HA -0.312 4.033 4.350 -0.008 0.000 0.267 538 T C 1.701 176.432 174.700 0.051 0.000 1.036 538 T CA 1.851 63.996 62.100 0.075 0.000 1.148 538 T CB -0.222 68.713 68.868 0.112 0.000 0.863 538 T HN 0.424 nan 8.240 nan 0.000 0.436 539 Q N 0.827 120.651 119.800 0.040 0.000 2.084 539 Q HA -0.178 4.157 4.340 -0.008 0.000 0.202 539 Q C 2.353 178.363 176.000 0.016 0.000 0.978 539 Q CA 1.583 57.397 55.803 0.018 0.000 0.844 539 Q CB -0.115 28.633 28.738 0.016 0.000 0.898 539 Q HN 0.448 nan 8.270 nan 0.000 0.426 540 K N 0.112 120.522 120.400 0.017 0.000 2.025 540 K HA -0.121 4.194 4.320 -0.008 0.000 0.207 540 K C 2.218 178.834 176.600 0.026 0.000 1.049 540 K CA 1.162 57.458 56.287 0.014 0.000 0.933 540 K CB -0.106 32.396 32.500 0.003 0.000 0.714 540 K HN 0.254 nan 8.250 nan 0.000 0.438 541 L N 0.838 122.080 121.223 0.031 0.000 2.046 541 L HA -0.191 4.144 4.340 -0.008 0.000 0.208 541 L C 2.386 179.288 176.870 0.055 0.000 1.077 541 L CA 1.093 55.962 54.840 0.048 0.000 0.747 541 L CB -0.347 41.745 42.059 0.055 0.000 0.896 541 L HN 0.249 nan 8.230 nan 0.000 0.432 542 I N -0.631 119.966 120.570 0.045 0.000 2.226 542 I HA -0.270 3.895 4.170 -0.008 0.000 0.245 542 I C 2.466 178.600 176.117 0.029 0.000 1.100 542 I CA 1.443 62.767 61.300 0.039 0.000 1.374 542 I CB -0.459 37.559 38.000 0.029 0.000 1.057 542 I HN 0.263 nan 8.210 nan 0.000 0.413 543 T N 1.145 115.711 114.554 0.019 0.000 2.746 543 T HA -0.104 4.241 4.350 -0.008 0.000 0.267 543 T C 1.906 176.610 174.700 0.006 0.000 1.039 543 T CA 1.284 63.386 62.100 0.003 0.000 1.142 543 T CB -0.205 68.662 68.868 -0.001 0.000 0.866 543 T HN 0.249 nan 8.240 nan 0.000 0.444 544 I N 0.531 121.131 120.570 0.049 0.000 2.252 544 I HA -0.140 4.025 4.170 -0.008 0.000 0.245 544 I C 2.823 179.033 176.117 0.154 0.000 1.102 544 I CA 1.195 62.566 61.300 0.118 0.000 1.385 544 I CB -0.336 37.758 38.000 0.156 0.000 1.064 544 I HN 0.110 nan 8.210 nan 0.000 0.414 545 R N 1.281 121.847 120.500 0.111 0.000 2.075 545 R HA -0.146 4.190 4.340 -0.008 0.000 0.232 545 R C 1.853 178.191 176.300 0.063 0.000 1.126 545 R CA 1.809 57.974 56.100 0.107 0.000 0.963 545 R CB -0.233 30.111 30.300 0.074 0.000 0.858 545 R HN 0.433 nan 8.270 nan 0.000 0.435 546 N N -0.155 118.558 118.700 0.022 0.000 2.453 546 N HA -0.160 4.575 4.740 -0.008 0.000 0.183 546 N C 1.662 177.134 175.510 -0.064 0.000 1.041 546 N CA 0.530 53.575 53.050 -0.008 0.000 0.900 546 N CB 0.114 38.597 38.487 -0.008 0.000 0.961 546 N HN 0.341 nan 8.380 nan 0.000 0.443 547 Q N -0.134 119.584 119.800 -0.137 0.000 2.212 547 Q HA -0.014 4.321 4.340 -0.008 0.000 0.199 547 Q C -0.522 175.198 176.000 -0.467 0.000 0.950 547 Q CA 0.725 56.312 55.803 -0.360 0.000 0.863 547 Q CB 0.405 28.799 28.738 -0.573 0.000 0.944 547 Q HN 0.379 nan 8.270 nan 0.000 0.465 548 Y N -0.461 119.846 120.300 0.011 0.000 2.388 548 Y HA 0.306 4.852 4.550 -0.007 0.000 0.328 548 Y C -1.958 173.945 175.900 0.005 0.000 0.963 548 Y CA -2.544 55.562 58.100 0.010 0.000 1.240 548 Y CB 1.661 40.131 38.460 0.017 0.000 1.118 548 Y HN 0.112 nan 8.280 nan 0.000 0.484 549 P HA -0.214 nan 4.420 nan 0.000 0.219 549 P C 1.342 178.675 177.300 0.056 0.000 1.146 549 P CA 1.724 64.860 63.100 0.061 0.000 0.808 549 P CB 0.359 32.077 31.700 0.030 0.000 0.779 550 A N -0.952 121.921 122.820 0.087 0.000 2.019 550 A HA -0.160 4.155 4.320 -0.008 0.000 0.219 550 A C 1.902 179.515 177.584 0.048 0.000 1.164 550 A CA 1.301 53.365 52.037 0.045 0.000 0.644 550 A CB -1.397 17.637 19.000 0.057 0.000 0.805 550 A HN 0.092 nan 8.150 nan 0.000 0.449 551 L N -0.964 120.309 121.223 0.083 0.000 2.217 551 L HA 0.007 4.342 4.340 -0.008 0.000 0.211 551 L C 2.441 179.330 176.870 0.032 0.000 1.107 551 L CA 1.643 56.530 54.840 0.077 0.000 0.783 551 L CB -0.731 41.396 42.059 0.113 0.000 0.919 551 L HN 0.335 nan 8.230 nan 0.000 0.442 552 R N -1.533 118.976 120.500 0.014 0.000 2.123 552 R HA 0.089 4.425 4.340 -0.008 0.000 0.209 552 R C 1.529 177.794 176.300 -0.058 0.000 1.078 552 R CA 1.304 57.387 56.100 -0.029 0.000 1.028 552 R CB -0.247 30.039 30.300 -0.023 0.000 0.939 552 R HN 0.396 nan 8.270 nan 0.000 0.463 553 T N -3.126 111.401 114.554 -0.046 0.000 3.111 553 T HA 0.337 4.682 4.350 -0.008 0.000 0.284 553 T C 0.825 175.487 174.700 -0.063 0.000 0.983 553 T CA -0.221 61.842 62.100 -0.063 0.000 0.900 553 T CB 0.747 69.576 68.868 -0.065 0.000 1.132 553 T HN 0.173 nan 8.240 nan 0.000 0.531 554 G N 1.204 109.970 108.800 -0.056 0.000 2.621 554 G HA2 0.495 4.450 3.960 -0.008 0.000 0.271 554 G HA3 0.495 4.450 3.960 -0.008 0.000 0.271 554 G C -0.192 174.637 174.900 -0.117 0.000 1.236 554 G CA -0.551 44.487 45.100 -0.104 0.000 0.958 554 G HN 0.347 nan 8.290 nan 0.000 0.512 555 S N -1.286 114.236 115.700 -0.297 0.000 2.600 555 S HA 0.437 4.902 4.470 -0.008 0.000 0.265 555 S C -0.875 173.732 174.600 0.013 0.000 1.325 555 S CA 0.024 58.096 58.200 -0.213 0.000 1.002 555 S CB 0.857 63.721 63.200 -0.560 0.000 0.921 555 S HN 0.438 nan 8.310 nan 0.000 0.554 556 F N 2.128 122.155 119.950 0.129 0.000 2.536 556 F HA 0.637 5.159 4.527 -0.008 0.000 0.322 556 F C -0.658 175.347 175.800 0.342 0.000 1.144 556 F CA -0.707 57.419 58.000 0.209 0.000 0.924 556 F CB 1.067 40.129 39.000 0.103 0.000 1.181 556 F HN 0.454 nan 8.300 nan 0.000 0.438 557 M N 5.811 125.325 119.600 -0.144 0.000 2.327 557 M HA 0.386 4.861 4.480 -0.008 0.000 0.298 557 M C -1.194 174.975 176.300 -0.219 0.000 1.065 557 M CA -0.300 54.969 55.300 -0.053 0.000 0.916 557 M CB 1.979 34.365 32.600 -0.357 0.000 1.630 557 M HN 0.619 nan 8.290 nan 0.000 0.442 558 T N 5.478 120.073 114.554 0.068 0.000 2.870 558 T HA 0.293 4.638 4.350 -0.008 0.000 0.300 558 T C 1.021 175.721 174.700 0.001 0.000 0.989 558 T CA -0.133 62.031 62.100 0.108 0.000 1.139 558 T CB 0.616 69.672 68.868 0.314 0.000 0.920 558 T HN 0.659 nan 8.240 nan 0.000 0.537 559 L N 2.736 123.928 121.223 -0.052 0.000 2.547 559 L HA 0.485 4.820 4.340 -0.008 0.000 0.218 559 L C 0.280 177.145 176.870 -0.009 0.000 1.048 559 L CA 0.436 55.215 54.840 -0.102 0.000 0.859 559 L CB 0.337 42.276 42.059 -0.200 0.000 1.128 559 L HN 0.507 nan 8.230 nan 0.000 0.483 560 I N -0.158 120.451 120.570 0.065 0.000 2.680 560 I HA 0.175 4.340 4.170 -0.008 0.000 0.291 560 I C -0.940 175.344 176.117 0.279 0.000 1.244 560 I CA -0.279 61.102 61.300 0.135 0.000 1.042 560 I CB 2.469 40.524 38.000 0.091 0.000 1.277 560 I HN -0.094 nan 8.210 nan 0.000 0.423 561 T N -0.309 114.394 114.554 0.248 0.000 3.141 561 T HA 0.289 4.634 4.350 -0.008 0.000 0.377 561 T C -0.921 173.888 174.700 0.183 0.000 1.258 561 T CA -0.660 61.598 62.100 0.263 0.000 1.263 561 T CB 0.684 69.677 68.868 0.209 0.000 1.066 561 T HN 0.422 nan 8.240 nan 0.000 0.546 562 D N 2.034 122.543 120.400 0.182 0.000 2.412 562 D HA 0.254 4.889 4.640 -0.008 0.000 0.224 562 D C 0.275 176.645 176.300 0.116 0.000 1.093 562 D CA -0.500 53.571 54.000 0.119 0.000 0.850 562 D CB 1.219 42.065 40.800 0.077 0.000 1.046 562 D HN 0.305 nan 8.370 nan 0.000 0.507 563 D N 1.640 122.100 120.400 0.100 0.000 2.234 563 D HA -0.114 4.521 4.640 -0.008 0.000 0.205 563 D C 1.946 178.283 176.300 0.060 0.000 0.962 563 D CA 1.110 55.168 54.000 0.097 0.000 0.855 563 D CB 0.174 41.026 40.800 0.088 0.000 0.951 563 D HN 0.592 nan 8.370 nan 0.000 0.500 564 T N -0.799 113.777 114.554 0.037 0.000 2.732 564 T HA -0.075 4.270 4.350 -0.008 0.000 0.261 564 T C 1.543 176.232 174.700 -0.018 0.000 1.040 564 T CA 0.737 62.847 62.100 0.017 0.000 1.145 564 T CB -0.144 68.734 68.868 0.016 0.000 0.866 564 T HN -0.070 nan 8.240 nan 0.000 0.427 565 N N 1.500 120.144 118.700 -0.093 0.000 2.412 565 N HA 0.094 4.829 4.740 -0.008 0.000 0.184 565 N C -0.154 175.232 175.510 -0.207 0.000 1.101 565 N CA 0.198 53.054 53.050 -0.322 0.000 0.881 565 N CB -0.042 38.065 38.487 -0.634 0.000 0.969 565 N HN 0.582 nan 8.380 nan 0.000 0.459 566 K N 0.643 121.033 120.400 -0.017 0.000 3.162 566 K HA -0.133 4.183 4.320 -0.008 0.000 0.268 566 K C -0.869 175.842 176.600 0.186 0.000 1.062 566 K CA 0.490 56.839 56.287 0.102 0.000 0.769 566 K CB -1.211 31.312 32.500 0.038 0.000 1.274 566 K HN 0.145 nan 8.250 nan 0.000 0.478 567 I N 1.196 121.878 120.570 0.186 0.000 2.378 567 I HA 0.247 4.412 4.170 -0.008 0.000 0.291 567 I C -0.079 176.279 176.117 0.401 0.000 0.992 567 I CA -0.468 60.983 61.300 0.252 0.000 1.154 567 I CB 0.985 39.051 38.000 0.111 0.000 1.315 567 I HN 0.143 nan 8.210 nan 0.000 0.448 568 Y N 5.038 125.535 120.300 0.329 0.000 2.328 568 Y HA 0.493 5.038 4.550 -0.008 0.000 0.336 568 Y C -0.255 175.787 175.900 0.237 0.000 0.960 568 Y CA -0.344 57.931 58.100 0.292 0.000 1.134 568 Y CB 1.606 40.244 38.460 0.295 0.000 1.166 568 Y HN 0.600 nan 8.280 nan 0.000 0.464 569 S N 6.140 121.797 115.700 -0.071 0.000 2.538 569 S HA 0.655 5.121 4.470 -0.008 0.000 0.288 569 S C -1.727 172.657 174.600 -0.359 0.000 1.108 569 S CA -0.382 57.651 58.200 -0.279 0.000 0.971 569 S CB 0.699 63.813 63.200 -0.144 0.000 1.041 569 S HN 0.695 nan 8.310 nan 0.000 0.483 570 Y N 0.515 120.543 120.300 -0.453 0.000 2.588 570 Y HA 0.865 5.410 4.550 -0.008 0.000 0.343 570 Y C -0.080 175.558 175.900 -0.436 0.000 1.065 570 Y CA -1.194 56.587 58.100 -0.531 0.000 1.038 570 Y CB 0.719 38.714 38.460 -0.775 0.000 1.297 570 Y HN 0.704 nan 8.280 nan 0.000 0.467 571 G N 1.572 110.189 108.800 -0.305 0.000 2.448 571 G HA2 0.705 4.660 3.960 -0.008 0.000 0.324 571 G HA3 0.705 4.660 3.960 -0.008 0.000 0.324 571 G C -1.332 173.575 174.900 0.011 0.000 1.203 571 G CA -1.293 43.682 45.100 -0.208 0.000 0.954 571 G HN 0.469 nan 8.290 nan 0.000 0.480 572 R N 0.381 120.954 120.500 0.121 0.000 2.480 572 R HA 0.594 4.929 4.340 -0.008 0.000 0.306 572 R C -1.192 175.289 176.300 0.301 0.000 0.958 572 R CA -0.813 55.407 56.100 0.200 0.000 0.861 572 R CB 1.145 31.520 30.300 0.124 0.000 1.171 572 R HN 0.695 nan 8.270 nan 0.000 0.445 573 F N -0.768 119.159 119.950 -0.037 0.000 2.688 573 F HA 0.578 5.100 4.527 -0.008 0.000 0.308 573 F C -0.984 174.805 175.800 -0.018 0.000 1.117 573 F CA -1.150 56.824 58.000 -0.044 0.000 0.976 573 F CB 1.571 40.523 39.000 -0.078 0.000 1.291 573 F HN 0.423 nan 8.300 nan 0.000 0.439 574 D N 0.112 120.509 120.400 -0.006 0.000 2.989 574 D HA 0.321 4.956 4.640 -0.008 0.000 0.284 574 D C -0.372 175.910 176.300 -0.030 0.000 1.212 574 D CA -0.679 53.262 54.000 -0.098 0.000 1.055 574 D CB 0.204 40.958 40.800 -0.078 0.000 1.351 574 D HN 0.479 nan 8.370 nan 0.000 0.611 575 N N -1.234 117.425 118.700 -0.067 0.000 2.459 575 N HA 0.040 4.775 4.740 -0.008 0.000 0.181 575 N C 1.258 176.765 175.510 -0.006 0.000 1.046 575 N CA 0.724 53.742 53.050 -0.053 0.000 0.904 575 N CB 0.226 38.664 38.487 -0.081 0.000 0.964 575 N HN 0.188 nan 8.380 nan 0.000 0.444 576 V N -0.503 119.420 119.914 0.015 0.000 2.599 576 V HA 0.144 4.260 4.120 -0.008 0.000 0.237 576 V C 0.240 176.373 176.094 0.065 0.000 1.081 576 V CA 0.656 62.980 62.300 0.039 0.000 1.107 576 V CB -0.177 31.673 31.823 0.045 0.000 0.808 576 V HN 0.175 nan 8.190 nan 0.000 0.486 577 N N -0.293 118.455 118.700 0.081 0.000 2.404 577 N HA 0.676 5.411 4.740 -0.008 0.000 0.297 577 N C -0.728 174.819 175.510 0.062 0.000 1.163 577 N CA -0.643 52.449 53.050 0.070 0.000 0.864 577 N CB 1.434 39.978 38.487 0.096 0.000 1.247 577 N HN 0.143 nan 8.380 nan 0.000 0.510 578 R N 0.912 121.413 120.500 0.002 0.000 2.502 578 R HA 0.548 4.883 4.340 -0.008 0.000 0.300 578 R C -1.178 175.060 176.300 -0.104 0.000 0.984 578 R CA -0.446 55.648 56.100 -0.009 0.000 0.882 578 R CB 1.333 31.602 30.300 -0.051 0.000 1.180 578 R HN 0.478 nan 8.270 nan 0.000 0.444 579 I N 1.946 122.452 120.570 -0.106 0.000 2.466 579 I HA 0.482 4.647 4.170 -0.008 0.000 0.289 579 I C -0.409 175.598 176.117 -0.182 0.000 1.026 579 I CA -0.832 60.362 61.300 -0.176 0.000 1.078 579 I CB 2.235 40.106 38.000 -0.215 0.000 1.249 579 I HN 0.597 nan 8.210 nan 0.000 0.429 580 A N 6.598 129.293 122.820 -0.208 0.000 2.258 580 A HA 0.731 5.046 4.320 -0.008 0.000 0.316 580 A C -0.573 176.836 177.584 -0.292 0.000 1.279 580 A CA -0.495 51.386 52.037 -0.261 0.000 0.876 580 A CB 0.862 19.726 19.000 -0.227 0.000 1.170 580 A HN 0.450 nan 8.150 nan 0.000 0.520 581 V N 3.449 123.085 119.914 -0.463 0.000 2.439 581 V HA 0.401 4.516 4.120 -0.008 0.000 0.282 581 V C -0.197 175.626 176.094 -0.451 0.000 1.039 581 V CA -0.330 61.669 62.300 -0.501 0.000 0.913 581 V CB 1.437 32.764 31.823 -0.828 0.000 0.983 581 V HN 0.601 nan 8.190 nan 0.000 0.460 582 V N 6.721 126.506 119.914 -0.216 0.000 2.407 582 V HA 0.496 4.612 4.120 -0.008 0.000 0.291 582 V C -0.302 175.821 176.094 0.048 0.000 1.018 582 V CA -0.463 61.782 62.300 -0.090 0.000 0.842 582 V CB 1.426 33.217 31.823 -0.053 0.000 0.996 582 V HN 0.625 nan 8.190 nan 0.000 0.426 583 L N 4.017 125.343 121.223 0.172 0.000 2.329 583 L HA 0.631 4.966 4.340 -0.008 0.000 0.279 583 L C -0.122 176.964 176.870 0.361 0.000 1.014 583 L CA -0.512 54.529 54.840 0.334 0.000 0.814 583 L CB 1.865 44.269 42.059 0.576 0.000 1.257 583 L HN 0.520 nan 8.230 nan 0.000 0.424 584 N N 2.274 121.163 118.700 0.316 0.000 2.558 584 N HA 0.124 4.859 4.740 -0.008 0.000 0.242 584 N C -0.184 175.447 175.510 0.202 0.000 0.979 584 N CA -0.041 53.170 53.050 0.267 0.000 0.931 584 N CB 0.996 39.644 38.487 0.269 0.000 1.122 584 N HN 0.661 nan 8.380 nan 0.000 0.508 585 N N 2.196 120.946 118.700 0.083 0.000 2.398 585 N HA -0.059 4.676 4.740 -0.008 0.000 0.188 585 N C -0.425 175.034 175.510 -0.086 0.000 1.122 585 N CA -0.174 52.789 53.050 -0.145 0.000 0.866 585 N CB 0.364 38.409 38.487 -0.736 0.000 0.970 585 N HN 0.517 nan 8.380 nan 0.000 0.462 586 D N -0.455 119.903 120.400 -0.070 0.000 2.423 586 D HA 0.075 4.710 4.640 -0.008 0.000 0.255 586 D C 0.812 176.833 176.300 -0.464 0.000 1.174 586 D CA -0.168 53.749 54.000 -0.139 0.000 1.008 586 D CB 1.509 42.395 40.800 0.143 0.000 1.101 586 D HN 0.138 nan 8.370 nan 0.000 0.516 587 S N -0.847 114.623 115.700 -0.383 0.000 2.605 587 S HA 0.278 4.743 4.470 -0.008 0.000 0.217 587 S C 0.405 174.814 174.600 -0.319 0.000 0.958 587 S CA -0.289 57.642 58.200 -0.447 0.000 0.919 587 S CB -0.709 62.324 63.200 -0.280 0.000 0.780 587 S HN 0.360 nan 8.310 nan 0.000 0.507 588 V N -1.269 118.484 119.914 -0.267 0.000 3.049 588 V HA 0.804 4.919 4.120 -0.008 0.000 0.309 588 V C -0.113 175.775 176.094 -0.345 0.000 1.148 588 V CA -0.822 61.307 62.300 -0.285 0.000 0.990 588 V CB 1.260 32.918 31.823 -0.274 0.000 1.039 588 V HN 0.331 nan 8.190 nan 0.000 0.430 589 S N 1.583 117.113 115.700 -0.284 0.000 2.579 589 S HA 0.579 5.044 4.470 -0.008 0.000 0.275 589 S C -0.464 173.906 174.600 -0.383 0.000 1.345 589 S CA -0.036 58.045 58.200 -0.199 0.000 1.031 589 S CB -0.066 63.085 63.200 -0.082 0.000 0.892 589 S HN 1.022 nan 8.310 nan 0.000 0.529 590 H N -0.770 118.322 119.070 0.036 0.000 2.806 590 H HA 0.455 5.006 4.556 -0.008 0.000 0.367 590 H C -0.739 174.616 175.328 0.046 0.000 1.136 590 H CA -0.644 55.426 56.048 0.038 0.000 1.178 590 H CB 1.945 31.734 29.762 0.045 0.000 1.718 590 H HN 0.664 nan 8.280 nan 0.000 0.540 591 T N 3.129 117.782 114.554 0.165 0.000 2.733 591 T HA 0.381 4.726 4.350 -0.008 0.000 0.294 591 T C -0.352 174.405 174.700 0.094 0.000 0.956 591 T CA -0.590 61.571 62.100 0.102 0.000 0.987 591 T CB 0.256 69.168 68.868 0.073 0.000 0.920 591 T HN 0.172 nan 8.240 nan 0.000 0.470 592 V N 4.482 124.434 119.914 0.064 0.000 2.513 592 V HA 0.420 4.535 4.120 -0.008 0.000 0.299 592 V C 0.014 176.116 176.094 0.013 0.000 1.035 592 V CA -1.187 61.140 62.300 0.044 0.000 0.889 592 V CB 1.805 33.653 31.823 0.042 0.000 0.988 592 V HN 0.745 nan 8.190 nan 0.000 0.440 593 N N 2.926 121.642 118.700 0.027 0.000 2.558 593 N HA 0.286 5.022 4.740 -0.008 0.000 0.233 593 N C -0.525 175.000 175.510 0.025 0.000 1.038 593 N CA -0.155 52.912 53.050 0.028 0.000 0.934 593 N CB 1.676 40.195 38.487 0.053 0.000 1.175 593 N HN 0.443 nan 8.380 nan 0.000 0.512 594 V N 4.081 123.988 119.914 -0.012 0.000 2.470 594 V HA 0.145 4.260 4.120 -0.008 0.000 0.276 594 V C -1.500 174.585 176.094 -0.014 0.000 1.040 594 V CA -1.101 61.176 62.300 -0.040 0.000 1.008 594 V CB 0.956 32.723 31.823 -0.093 0.000 0.990 594 V HN 0.444 nan 8.190 nan 0.000 0.477 595 P HA 0.076 nan 4.420 nan 0.000 0.220 595 P C 0.943 178.029 177.300 -0.355 0.000 1.806 595 P CA -0.025 63.010 63.100 -0.107 0.000 0.976 595 P CB 0.440 32.034 31.700 -0.176 0.000 1.952 596 V N -1.843 117.988 119.914 -0.138 0.000 3.026 596 V HA -0.155 3.960 4.120 -0.008 0.000 0.265 596 V C 2.053 178.083 176.094 -0.107 0.000 1.121 596 V CA 0.633 62.839 62.300 -0.157 0.000 1.142 596 V CB -1.723 30.061 31.823 -0.065 0.000 0.730 596 V HN 0.408 nan 8.190 nan 0.000 0.503 597 W N 0.082 121.390 121.300 0.013 0.000 2.421 597 W HA -0.060 4.595 4.660 -0.008 0.000 0.270 597 W C 1.726 178.335 176.519 0.151 0.000 1.233 597 W CA 0.791 58.179 57.345 0.073 0.000 1.226 597 W CB -1.005 28.502 29.460 0.078 0.000 1.121 597 W HN 0.294 nan 8.180 nan 0.000 0.579 598 Q N 0.743 120.145 119.800 -0.664 0.000 2.291 598 Q HA -0.101 4.235 4.340 -0.008 0.000 0.205 598 Q C 1.906 177.609 176.000 -0.495 0.000 0.970 598 Q CA 1.007 56.436 55.803 -0.624 0.000 0.876 598 Q CB -0.191 28.022 28.738 -0.875 0.000 0.935 598 Q HN 0.337 nan 8.270 nan 0.000 0.455 599 L N -0.460 120.479 121.223 -0.473 0.000 2.607 599 L HA 0.130 4.465 4.340 -0.008 0.000 0.228 599 L C 0.547 177.226 176.870 -0.318 0.000 1.123 599 L CA 0.374 54.824 54.840 -0.650 0.000 0.890 599 L CB 0.101 41.789 42.059 -0.618 0.000 1.103 599 L HN -0.065 nan 8.230 nan 0.000 0.468 600 S N -0.510 115.163 115.700 -0.046 0.000 3.593 600 S HA -0.188 4.277 4.470 -0.008 0.000 0.301 600 S C 0.568 175.217 174.600 0.082 0.000 1.209 600 S CA 0.344 58.621 58.200 0.129 0.000 0.878 600 S CB -1.555 61.727 63.200 0.136 0.000 1.000 600 S HN 0.380 nan 8.310 nan 0.000 0.578 601 M N 1.711 121.337 119.600 0.043 0.000 2.227 601 M HA 0.174 4.649 4.480 -0.008 0.000 0.349 601 M C -2.269 174.082 176.300 0.085 0.000 1.443 601 M CA -1.255 54.069 55.300 0.040 0.000 1.110 601 M CB 0.026 32.630 32.600 0.008 0.000 1.773 601 M HN -0.085 nan 8.290 nan 0.000 0.463 602 P HA 0.041 nan 4.420 nan 0.000 0.268 602 P C -1.006 176.336 177.300 0.070 0.000 1.205 602 P CA 0.015 63.161 63.100 0.077 0.000 0.771 602 P CB 0.355 32.093 31.700 0.064 0.000 0.858 603 N N 1.349 120.089 118.700 0.066 0.000 2.492 603 N HA 0.344 5.079 4.740 -0.008 0.000 0.260 603 N C 1.457 176.995 175.510 0.047 0.000 1.215 603 N CA 1.397 54.481 53.050 0.056 0.000 0.923 603 N CB -0.104 38.407 38.487 0.040 0.000 1.092 603 N HN 0.697 nan 8.380 nan 0.000 0.448 604 G N -0.225 108.603 108.800 0.047 0.000 2.179 604 G HA2 -0.318 3.637 3.960 -0.008 0.000 0.260 604 G HA3 -0.318 3.637 3.960 -0.008 0.000 0.260 604 G C 0.254 175.181 174.900 0.045 0.000 0.977 604 G CA 0.550 45.675 45.100 0.042 0.000 0.641 604 G HN 0.844 nan 8.290 nan 0.000 0.533 605 S N -0.143 115.587 115.700 0.051 0.000 2.669 605 S HA 0.783 5.248 4.470 -0.008 0.000 0.270 605 S C 0.260 174.895 174.600 0.058 0.000 1.225 605 S CA 0.705 58.936 58.200 0.050 0.000 0.991 605 S CB 1.892 65.122 63.200 0.049 0.000 0.987 605 S HN 1.584 nan 8.310 nan 0.000 0.552 606 T N -1.623 112.966 114.554 0.058 0.000 2.932 606 T HA 0.755 5.100 4.350 -0.008 0.000 0.289 606 T C -0.186 174.559 174.700 0.075 0.000 1.039 606 T CA -0.549 61.594 62.100 0.072 0.000 1.024 606 T CB 0.905 69.809 68.868 0.060 0.000 1.090 606 T HN 1.573 nan 8.240 nan 0.000 0.496 607 V N -1.476 118.502 119.914 0.106 0.000 2.962 607 V HA 0.883 4.998 4.120 -0.008 0.000 0.313 607 V C -0.578 175.604 176.094 0.148 0.000 1.099 607 V CA -0.847 61.514 62.300 0.100 0.000 0.971 607 V CB 1.742 33.613 31.823 0.080 0.000 1.028 607 V HN 1.072 nan 8.190 nan 0.000 0.430 608 T N 2.012 116.637 114.554 0.118 0.000 2.807 608 T HA 0.399 4.744 4.350 -0.008 0.000 0.279 608 T C -0.951 173.834 174.700 0.143 0.000 0.993 608 T CA -0.081 62.100 62.100 0.136 0.000 0.970 608 T CB 1.311 70.238 68.868 0.099 0.000 0.950 608 T HN 0.985 nan 8.240 nan 0.000 0.441 609 D N 2.752 123.279 120.400 0.210 0.000 2.374 609 D HA 0.132 4.767 4.640 -0.008 0.000 0.240 609 D C 1.028 177.389 176.300 0.102 0.000 1.229 609 D CA -0.431 53.672 54.000 0.172 0.000 0.895 609 D CB 0.747 41.721 40.800 0.290 0.000 1.046 609 D HN 0.198 nan 8.370 nan 0.000 0.498 610 K N 3.772 124.214 120.400 0.068 0.000 2.360 610 K HA -0.056 4.259 4.320 -0.008 0.000 0.201 610 K C 1.531 178.150 176.600 0.032 0.000 1.046 610 K CA 0.441 56.766 56.287 0.063 0.000 0.945 610 K CB 0.342 32.896 32.500 0.089 0.000 0.750 610 K HN 0.550 nan 8.250 nan 0.000 0.464 611 I N 0.894 121.475 120.570 0.017 0.000 2.277 611 I HA -0.150 4.015 4.170 -0.008 0.000 0.243 611 I C 2.245 178.376 176.117 0.024 0.000 1.094 611 I CA 1.692 62.985 61.300 -0.012 0.000 1.393 611 I CB -1.467 36.480 38.000 -0.088 0.000 1.078 611 I HN 0.192 nan 8.210 nan 0.000 0.417 612 T N -2.519 112.058 114.554 0.038 0.000 3.037 612 T HA 0.322 4.667 4.350 -0.008 0.000 0.251 612 T C 1.620 176.192 174.700 -0.213 0.000 1.079 612 T CA 0.731 62.802 62.100 -0.048 0.000 1.067 612 T CB 0.586 69.460 68.868 0.010 0.000 0.948 612 T HN 0.453 nan 8.240 nan 0.000 0.496 613 G N 1.323 110.066 108.800 -0.094 0.000 2.199 613 G HA2 -0.225 3.730 3.960 -0.008 0.000 0.254 613 G HA3 -0.225 3.730 3.960 -0.008 0.000 0.254 613 G C 0.010 174.871 174.900 -0.066 0.000 0.982 613 G CA 0.068 45.116 45.100 -0.088 0.000 0.632 613 G HN 0.710 nan 8.290 nan 0.000 0.529 614 H N 0.700 119.789 119.070 0.032 0.000 2.707 614 H HA 0.597 5.148 4.556 -0.008 0.000 0.359 614 H C 0.399 175.628 175.328 -0.164 0.000 1.113 614 H CA 0.872 56.868 56.048 -0.087 0.000 1.422 614 H CB 1.489 31.187 29.762 -0.107 0.000 1.443 614 H HN 0.237 nan 8.280 nan 0.000 0.591 615 S N 1.647 117.232 115.700 -0.192 0.000 2.578 615 S HA 0.609 5.074 4.470 -0.008 0.000 0.301 615 S C -1.302 172.988 174.600 -0.515 0.000 1.091 615 S CA -0.469 57.619 58.200 -0.187 0.000 1.032 615 S CB 0.528 63.691 63.200 -0.062 0.000 1.064 615 S HN 0.454 nan 8.310 nan 0.000 0.508 616 Y N 0.041 120.371 120.300 0.051 0.000 2.638 616 Y HA 0.505 5.050 4.550 -0.008 0.000 0.339 616 Y C 0.128 176.046 175.900 0.031 0.000 1.084 616 Y CA -0.862 57.260 58.100 0.036 0.000 1.068 616 Y CB 2.043 40.525 38.460 0.036 0.000 1.294 616 Y HN 0.456 nan 8.280 nan 0.000 0.480 617 T N 1.383 116.058 114.554 0.201 0.000 2.824 617 T HA 0.407 4.753 4.350 -0.008 0.000 0.282 617 T C -0.920 173.846 174.700 0.111 0.000 0.993 617 T CA -0.721 61.451 62.100 0.120 0.000 0.967 617 T CB 1.272 70.188 68.868 0.080 0.000 0.960 617 T HN 0.337 nan 8.240 nan 0.000 0.441 618 V N 4.904 124.870 119.914 0.088 0.000 2.450 618 V HA 0.145 4.260 4.120 -0.008 0.000 0.281 618 V C 0.116 176.252 176.094 0.070 0.000 1.019 618 V CA 0.108 62.455 62.300 0.078 0.000 1.062 618 V CB 0.155 32.023 31.823 0.074 0.000 0.979 618 V HN 0.725 nan 8.190 nan 0.000 0.477 619 Q N 4.569 124.410 119.800 0.068 0.000 2.339 619 Q HA 0.372 4.707 4.340 -0.008 0.000 0.268 619 Q C 0.007 176.036 176.000 0.049 0.000 1.027 619 Q CA -0.484 55.351 55.803 0.053 0.000 0.759 619 Q CB 1.525 30.293 28.738 0.050 0.000 1.244 619 Q HN 0.826 nan 8.270 nan 0.000 0.464 620 N N 1.550 120.269 118.700 0.031 0.000 2.758 620 N HA -0.202 4.533 4.740 -0.008 0.000 0.248 620 N C 0.566 176.094 175.510 0.031 0.000 1.076 620 N CA 1.124 54.177 53.050 0.006 0.000 0.696 620 N CB -1.119 37.366 38.487 -0.005 0.000 0.979 620 N HN 1.082 nan 8.380 nan 0.000 0.550 621 G N -1.426 107.425 108.800 0.085 0.000 2.203 621 G HA2 -0.335 3.620 3.960 -0.008 0.000 0.263 621 G HA3 -0.335 3.620 3.960 -0.008 0.000 0.263 621 G C 0.122 175.209 174.900 0.311 0.000 1.012 621 G CA 1.139 46.371 45.100 0.220 0.000 0.749 621 G HN 0.395 nan 8.290 nan 0.000 0.512 622 M N -1.145 118.558 119.600 0.172 0.000 2.691 622 M HA 0.727 5.202 4.480 -0.008 0.000 0.293 622 M C -0.439 175.902 176.300 0.069 0.000 1.259 622 M CA -1.095 54.287 55.300 0.137 0.000 0.827 622 M CB 2.132 34.803 32.600 0.118 0.000 1.753 622 M HN 0.049 nan 8.290 nan 0.000 0.465 623 V N 0.916 120.844 119.914 0.022 0.000 2.567 623 V HA 0.382 4.497 4.120 -0.008 0.000 0.298 623 V C -0.649 175.395 176.094 -0.082 0.000 1.047 623 V CA -0.535 61.743 62.300 -0.037 0.000 0.880 623 V CB 2.159 33.931 31.823 -0.086 0.000 1.009 623 V HN 0.918 nan 8.190 nan 0.000 0.429 624 T N 4.680 119.191 114.554 -0.073 0.000 2.733 624 T HA 0.571 4.916 4.350 -0.008 0.000 0.294 624 T C -0.521 174.077 174.700 -0.171 0.000 0.956 624 T CA -0.216 61.844 62.100 -0.065 0.000 0.987 624 T CB 1.376 70.249 68.868 0.009 0.000 0.920 624 T HN 0.501 nan 8.240 nan 0.000 0.470 625 V N 2.858 122.666 119.914 -0.177 0.000 2.686 625 V HA 0.798 4.913 4.120 -0.008 0.000 0.306 625 V C -0.830 175.250 176.094 -0.024 0.000 1.065 625 V CA -0.949 61.223 62.300 -0.213 0.000 0.894 625 V CB 1.651 33.221 31.823 -0.423 0.000 1.004 625 V HN 1.013 nan 8.190 nan 0.000 0.424 626 A N 6.349 129.201 122.820 0.055 0.000 2.302 626 A HA 0.714 5.029 4.320 -0.008 0.000 0.295 626 A C -0.515 177.150 177.584 0.136 0.000 1.235 626 A CA -0.298 51.796 52.037 0.095 0.000 0.876 626 A CB 0.605 19.663 19.000 0.096 0.000 1.133 626 A HN 1.134 nan 8.150 nan 0.000 0.533 627 V N 4.329 124.333 119.914 0.150 0.000 2.398 627 V HA 0.197 4.312 4.120 -0.008 0.000 0.286 627 V C 0.058 176.282 176.094 0.217 0.000 1.026 627 V CA -0.942 61.483 62.300 0.208 0.000 0.868 627 V CB 1.410 33.353 31.823 0.200 0.000 0.982 627 V HN 0.901 nan 8.190 nan 0.000 0.443 628 D N 2.956 123.525 120.400 0.282 0.000 2.378 628 D HA 0.146 4.781 4.640 -0.008 0.000 0.238 628 D C 0.647 177.076 176.300 0.214 0.000 1.180 628 D CA 0.400 54.526 54.000 0.210 0.000 0.895 628 D CB 1.273 42.233 40.800 0.266 0.000 1.192 628 D HN 0.725 nan 8.370 nan 0.000 0.438 629 G N -0.559 108.248 108.800 0.011 0.000 2.432 629 G HA2 -0.002 3.953 3.960 -0.008 0.000 0.239 629 G HA3 -0.002 3.953 3.960 -0.008 0.000 0.239 629 G C -0.073 174.914 174.900 0.145 0.000 1.291 629 G CA 0.031 45.096 45.100 -0.057 0.000 0.863 629 G HN 0.791 nan 8.290 nan 0.000 0.560 630 H N -0.773 118.416 119.070 0.198 0.000 2.692 630 H HA -0.213 4.338 4.556 -0.008 0.000 0.316 630 H C -0.368 175.347 175.328 0.645 0.000 1.176 630 H CA 1.032 57.262 56.048 0.304 0.000 1.142 630 H CB -1.425 28.482 29.762 0.243 0.000 1.475 630 H HN 0.668 nan 8.280 nan 0.000 0.423 631 Y N -1.459 119.120 120.300 0.464 0.000 2.744 631 Y HA 0.610 5.155 4.550 -0.008 0.000 0.330 631 Y C 0.220 176.305 175.900 0.309 0.000 1.263 631 Y CA -0.412 57.948 58.100 0.434 0.000 1.065 631 Y CB 2.198 40.961 38.460 0.505 0.000 1.306 631 Y HN 0.196 nan 8.280 nan 0.000 0.459 632 G N 0.315 109.069 108.800 -0.077 0.000 2.684 632 G HA2 0.683 4.638 3.960 -0.008 0.000 0.290 632 G HA3 0.683 4.638 3.960 -0.008 0.000 0.290 632 G C -2.224 172.623 174.900 -0.087 0.000 1.425 632 G CA -0.378 44.720 45.100 -0.005 0.000 0.822 632 G HN 0.795 nan 8.290 nan 0.000 0.482 633 A N -0.627 122.181 122.820 -0.019 0.000 2.386 633 A HA 0.764 5.079 4.320 -0.008 0.000 0.311 633 A C -1.084 176.467 177.584 -0.056 0.000 1.068 633 A CA -0.636 51.390 52.037 -0.019 0.000 0.743 633 A CB 2.144 21.151 19.000 0.011 0.000 1.258 633 A HN 1.299 nan 8.150 nan 0.000 0.429 634 V N 3.455 123.343 119.914 -0.042 0.000 2.289 634 V HA 0.244 4.360 4.120 -0.008 0.000 0.272 634 V C -0.593 175.467 176.094 -0.057 0.000 1.026 634 V CA -0.020 62.239 62.300 -0.068 0.000 0.807 634 V CB 0.563 32.363 31.823 -0.039 0.000 1.044 634 V HN 0.705 nan 8.190 nan 0.000 0.443 635 L N 4.576 125.748 121.223 -0.086 0.000 2.295 635 L HA 0.749 5.085 4.340 -0.008 0.000 0.288 635 L C 0.557 177.363 176.870 -0.106 0.000 1.079 635 L CA 0.193 54.997 54.840 -0.059 0.000 0.830 635 L CB 0.710 42.724 42.059 -0.075 0.000 1.200 635 L HN 0.653 nan 8.230 nan 0.000 0.438 636 A N 4.417 127.175 122.820 -0.103 0.000 2.384 636 A HA 0.884 5.199 4.320 -0.008 0.000 0.312 636 A C -0.742 176.790 177.584 -0.087 0.000 1.113 636 A CA -0.496 51.423 52.037 -0.197 0.000 0.779 636 A CB 1.950 20.660 19.000 -0.483 0.000 1.307 636 A HN 0.708 nan 8.150 nan 0.000 0.436 637 Q N 0.000 119.749 119.800 -0.086 0.000 2.315 637 Q HA 0.000 4.335 4.340 -0.008 0.000 0.214 637 Q CA 0.000 55.809 55.803 0.009 0.000 1.022 637 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 637 Q HN 0.000 nan 8.270 nan 0.000 0.481