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 2d0h_1_A DATA FIRST_RESID 1 DATA SEQUENCE AANDNNVEWN GLFHDQGPLF DNAPEPTSTQ SVTLKLRTFK GDITSANIKY DATA SEQUENCE WDTADNAFHW VPMVWDSNDP TGTFDYWKGT IPASPSIKYY RFQINDGTST DATA SEQUENCE AWYNGNGPSS TEPNADDFYI IPNFKTPDWL KNGVMYQIFP DRFYNGDSSN DATA SEQUENCE DVQTGSYTYN GTPTEKKAWG SSVYADPGYD NSLVFFGGDL AGIDQKLGYI DATA SEQUENCE KKTLGANILY LNPIFKAPTN HKYDTQDYMA VDPAFGDNST LQTLINDIHS DATA SEQUENCE TANGPKGYLI LDGVFNHTGD SHPWFDKYNN FSSQGAYESQ SSPWYNYYTF DATA SEQUENCE YTWPDSYASF LGFNSLPKLN YGNSGSAVRG VIYNNSNSVA KTYLNPPYSV DATA SEQUENCE DGWRLNAAQY VDANGNNGSD VTNHQIWSEF RNAVKGVNSN AAIIGQYWGN DATA SEQUENCE ANPWTAQGNQ WDAATNFDGF TQPVSEWITG KDYQNNSASI STTQFDSWLR DATA SEQUENCE GTRANYPTNV QQSMMNFLSN HDITRFATRS GGDLWKTYLA LIFQMTYVGT DATA SEQUENCE PTIYYGDEYG MQGGADPDNR RSFDWSQATP SNSAVALTQK LITIRNQYPA DATA SEQUENCE LRTGSFMTLI TDDTNKIYSY GRFDNVNRIA VVLNNDSVSH TVNVPVWQLS DATA SEQUENCE MPNGSTVTDK ITGHSYTVQN GMVTVAVDGH YGAVLAQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.604 177.584 0.034 0.000 1.274 1 A CA 0.000 52.046 52.037 0.015 0.000 0.836 1 A CB 0.000 19.090 19.000 0.150 0.000 0.831 2 A N 0.128 122.984 122.820 0.061 0.000 2.483 2 A HA 0.738 5.057 4.320 -0.002 0.000 0.306 2 A C -1.147 176.475 177.584 0.064 0.000 1.137 2 A CA -0.455 51.613 52.037 0.052 0.000 0.626 2 A CB 0.279 19.291 19.000 0.021 0.000 1.352 2 A HN 0.948 nan 8.150 nan 0.000 0.508 3 N N 1.573 120.303 118.700 0.051 0.000 2.719 3 N HA 0.351 5.090 4.740 -0.002 0.000 0.243 3 N C -1.309 174.222 175.510 0.036 0.000 1.104 3 N CA -0.037 53.042 53.050 0.049 0.000 0.981 3 N CB 0.285 38.799 38.487 0.046 0.000 1.290 3 N HN 0.548 nan 8.380 nan 0.000 0.513 4 D N 0.862 121.286 120.400 0.039 0.000 2.819 4 D HA 0.070 4.709 4.640 -0.002 0.000 0.326 4 D C -0.354 175.966 176.300 0.033 0.000 1.408 4 D CA -0.689 53.329 54.000 0.031 0.000 0.811 4 D CB -0.268 40.548 40.800 0.027 0.000 1.148 4 D HN 0.047 nan 8.370 nan 0.000 0.457 5 N N 1.211 119.931 118.700 0.034 0.000 2.716 5 N HA -0.234 4.505 4.740 -0.002 0.000 0.250 5 N C -0.999 174.537 175.510 0.044 0.000 1.033 5 N CA 0.880 53.950 53.050 0.034 0.000 0.727 5 N CB -1.379 37.124 38.487 0.027 0.000 0.950 5 N HN 0.722 nan 8.380 nan 0.000 0.541 6 N N -0.761 117.974 118.700 0.058 0.000 2.493 6 N HA 0.217 4.957 4.740 -0.002 0.000 0.279 6 N C -1.415 174.162 175.510 0.111 0.000 1.082 6 N CA -0.383 52.712 53.050 0.076 0.000 0.963 6 N CB 1.491 40.014 38.487 0.060 0.000 1.627 6 N HN -0.158 nan 8.380 nan 0.000 0.499 7 V N 2.898 122.902 119.914 0.151 0.000 2.383 7 V HA 0.245 4.364 4.120 -0.002 0.000 0.275 7 V C 0.036 176.312 176.094 0.304 0.000 1.036 7 V CA -0.413 62.010 62.300 0.206 0.000 0.889 7 V CB 1.169 33.117 31.823 0.208 0.000 0.985 7 V HN 0.566 nan 8.190 nan 0.000 0.459 8 E N 4.769 125.156 120.200 0.312 0.000 1.996 8 E HA 0.070 4.419 4.350 -0.002 0.000 0.280 8 E C -0.210 176.641 176.600 0.418 0.000 1.092 8 E CA -0.358 56.265 56.400 0.371 0.000 0.862 8 E CB 0.582 30.579 29.700 0.496 0.000 1.066 8 E HN 0.713 nan 8.360 nan 0.000 0.396 9 W N 2.696 124.078 121.300 0.138 0.000 2.305 9 W HA -0.228 4.431 4.660 -0.002 0.000 0.308 9 W C 1.464 178.044 176.519 0.102 0.000 1.226 9 W CA 0.931 58.352 57.345 0.127 0.000 1.253 9 W CB -0.880 28.663 29.460 0.138 0.000 1.146 9 W HN 0.596 nan 8.180 nan 0.000 0.507 10 N N -1.170 117.749 118.700 0.365 0.000 2.348 10 N HA -0.106 4.633 4.740 -0.002 0.000 0.185 10 N C 1.821 177.287 175.510 -0.073 0.000 1.019 10 N CA 0.996 54.203 53.050 0.262 0.000 0.880 10 N CB -0.580 38.181 38.487 0.457 0.000 0.965 10 N HN 0.197 nan 8.380 nan 0.000 0.437 11 G N 0.064 108.520 108.800 -0.574 0.000 2.986 11 G HA2 0.174 4.133 3.960 -0.002 0.000 0.213 11 G HA3 0.174 4.133 3.960 -0.002 0.000 0.213 11 G C 0.408 175.179 174.900 -0.214 0.000 1.156 11 G CA -0.279 44.235 45.100 -0.977 0.000 0.763 11 G HN 0.039 nan 8.290 nan 0.000 0.547 12 L N 0.285 121.467 121.223 -0.069 0.000 2.395 12 L HA 0.659 4.998 4.340 -0.002 0.000 0.269 12 L C -0.598 176.273 176.870 0.002 0.000 1.133 12 L CA -0.559 54.242 54.840 -0.065 0.000 0.812 12 L CB 1.070 43.109 42.059 -0.034 0.000 1.125 12 L HN 0.075 nan 8.230 nan 0.000 0.452 13 F N 2.295 121.965 119.950 -0.467 0.000 2.704 13 F HA 0.425 4.951 4.527 -0.002 0.000 0.312 13 F C -1.089 174.265 175.800 -0.742 0.000 1.108 13 F CA -0.576 57.133 58.000 -0.485 0.000 1.005 13 F CB 1.123 39.929 39.000 -0.324 0.000 1.277 13 F HN 0.522 nan 8.300 nan 0.000 0.445 14 H N 4.228 122.226 119.070 -1.787 0.000 3.140 14 H HA 0.428 4.983 4.556 -0.002 0.000 0.336 14 H C -2.281 172.418 175.328 -1.049 0.000 1.142 14 H CA -0.278 54.956 56.048 -1.356 0.000 1.308 14 H CB 2.154 31.320 29.762 -0.993 0.000 1.970 14 H HN 0.826 nan 8.280 nan 0.000 0.521 15 D N 2.427 121.958 120.400 -1.448 0.000 2.768 15 D HA 0.038 4.677 4.640 -0.002 0.000 0.327 15 D C -0.590 175.332 176.300 -0.629 0.000 1.302 15 D CA -0.510 53.070 54.000 -0.700 0.000 0.897 15 D CB 0.819 41.505 40.800 -0.190 0.000 1.420 15 D HN 0.565 nan 8.370 nan 0.000 0.494 16 Q N -0.024 119.661 119.800 -0.193 0.000 2.217 16 Q HA 0.390 4.729 4.340 -0.002 0.000 0.226 16 Q C 0.712 176.705 176.000 -0.012 0.000 0.875 16 Q CA -0.403 55.360 55.803 -0.066 0.000 0.974 16 Q CB 0.852 29.625 28.738 0.058 0.000 1.079 16 Q HN 0.482 nan 8.270 nan 0.000 0.463 17 G N 1.400 110.209 108.800 0.015 0.000 2.599 17 G HA2 0.104 4.063 3.960 -0.002 0.000 0.264 17 G HA3 0.104 4.063 3.960 -0.002 0.000 0.264 17 G C -1.891 172.964 174.900 -0.075 0.000 1.200 17 G CA -1.087 43.995 45.100 -0.030 0.000 0.896 17 G HN -0.036 nan 8.290 nan 0.000 0.536 18 P HA -0.151 nan 4.420 nan 0.000 0.218 18 P C 1.915 179.047 177.300 -0.281 0.000 1.154 18 P CA 0.769 63.764 63.100 -0.175 0.000 0.872 18 P CB 0.174 31.777 31.700 -0.160 0.000 0.790 19 L N -3.192 117.744 121.223 -0.479 0.000 2.376 19 L HA -0.014 4.325 4.340 -0.002 0.000 0.219 19 L C 1.375 177.631 176.870 -1.023 0.000 1.133 19 L CA 1.732 56.066 54.840 -0.844 0.000 0.816 19 L CB -1.031 40.308 42.059 -1.200 0.000 0.933 19 L HN 0.042 nan 8.230 nan 0.000 0.449 20 F N -1.946 117.916 119.950 -0.147 0.000 2.746 20 F HA 0.288 4.815 4.527 -0.001 0.000 0.320 20 F C 0.222 175.998 175.800 -0.039 0.000 1.097 20 F CA -0.736 57.203 58.000 -0.101 0.000 1.195 20 F CB 0.622 39.520 39.000 -0.169 0.000 1.056 20 F HN -0.115 nan 8.300 nan 0.000 0.562 21 D N 0.493 120.915 120.400 0.037 0.000 2.613 21 D HA 0.084 4.723 4.640 -0.002 0.000 0.230 21 D C 0.086 176.371 176.300 -0.024 0.000 1.365 21 D CA -0.110 53.915 54.000 0.041 0.000 0.976 21 D CB 0.780 41.622 40.800 0.070 0.000 1.415 21 D HN 0.038 nan 8.370 nan 0.000 0.589 22 N N 2.529 121.208 118.700 -0.035 0.000 2.461 22 N HA 0.069 4.808 4.740 -0.002 0.000 0.188 22 N C -0.179 175.308 175.510 -0.040 0.000 1.134 22 N CA -0.032 52.987 53.050 -0.052 0.000 0.878 22 N CB 0.428 38.880 38.487 -0.058 0.000 0.972 22 N HN 0.260 nan 8.380 nan 0.000 0.456 23 A N 0.954 123.760 122.820 -0.024 0.000 3.422 23 A HA 0.356 4.676 4.320 -0.002 0.000 0.271 23 A C -1.903 175.682 177.584 0.001 0.000 1.104 23 A CA -0.803 51.222 52.037 -0.019 0.000 0.899 23 A CB 0.841 19.827 19.000 -0.024 0.000 1.309 23 A HN 0.051 nan 8.150 nan 0.000 0.580 24 P HA -0.117 nan 4.420 nan 0.000 0.222 24 P C 0.167 177.470 177.300 0.004 0.000 1.147 24 P CA 1.272 64.380 63.100 0.013 0.000 0.790 24 P CB 0.342 32.034 31.700 -0.014 0.000 0.780 25 E N 0.957 121.143 120.200 -0.023 0.000 3.568 25 E HA 0.237 4.586 4.350 -0.002 0.000 0.213 25 E C -2.315 174.277 176.600 -0.013 0.000 1.197 25 E CA -1.975 54.401 56.400 -0.039 0.000 1.126 25 E CB 0.749 30.390 29.700 -0.097 0.000 1.285 25 E HN 0.346 nan 8.360 nan 0.000 0.418 26 P HA -0.055 nan 4.420 nan 0.000 0.268 26 P C 0.272 177.582 177.300 0.017 0.000 1.205 26 P CA 0.082 63.187 63.100 0.008 0.000 0.771 26 P CB 0.966 32.672 31.700 0.010 0.000 0.858 27 T N -1.428 113.129 114.554 0.005 0.000 2.788 27 T HA 0.120 4.469 4.350 -0.002 0.000 0.280 27 T C 1.599 176.303 174.700 0.007 0.000 0.984 27 T CA -0.011 62.096 62.100 0.011 0.000 0.972 27 T CB -0.185 68.684 68.868 0.002 0.000 1.039 27 T HN 0.409 nan 8.240 nan 0.000 0.530 28 S N -0.536 115.169 115.700 0.009 0.000 2.465 28 S HA -0.092 4.377 4.470 -0.002 0.000 0.241 28 S C 1.534 176.126 174.600 -0.014 0.000 1.000 28 S CA 1.056 59.256 58.200 0.000 0.000 0.964 28 S CB -1.136 62.066 63.200 0.003 0.000 0.763 28 S HN 1.104 nan 8.310 nan 0.000 0.512 29 T N -2.442 112.103 114.554 -0.015 0.000 3.231 29 T HA 0.319 4.668 4.350 -0.002 0.000 0.292 29 T C -0.069 174.615 174.700 -0.028 0.000 1.001 29 T CA -0.610 61.477 62.100 -0.022 0.000 0.920 29 T CB -0.088 68.770 68.868 -0.017 0.000 1.140 29 T HN 0.387 nan 8.240 nan 0.000 0.525 30 Q N 2.656 122.440 119.800 -0.028 0.000 2.267 30 Q HA 0.478 4.817 4.340 -0.002 0.000 0.255 30 Q C -0.044 175.927 176.000 -0.048 0.000 0.923 30 Q CA -0.499 55.285 55.803 -0.032 0.000 0.925 30 Q CB 0.913 29.636 28.738 -0.025 0.000 1.195 30 Q HN 0.576 nan 8.270 nan 0.000 0.417 31 S N 1.674 117.343 115.700 -0.051 0.000 2.584 31 S HA 0.453 4.922 4.470 -0.002 0.000 0.273 31 S C -0.357 174.200 174.600 -0.071 0.000 1.311 31 S CA -0.863 57.297 58.200 -0.067 0.000 1.034 31 S CB 1.427 64.594 63.200 -0.055 0.000 0.939 31 S HN 0.407 nan 8.310 nan 0.000 0.513 32 V N 2.881 122.735 119.914 -0.100 0.000 2.326 32 V HA 0.359 4.478 4.120 -0.002 0.000 0.281 32 V C -0.016 176.014 176.094 -0.107 0.000 1.015 32 V CA -0.565 61.677 62.300 -0.097 0.000 0.823 32 V CB 1.205 32.958 31.823 -0.117 0.000 1.009 32 V HN 1.046 nan 8.190 nan 0.000 0.436 33 T N 7.272 121.785 114.554 -0.069 0.000 2.744 33 T HA 0.657 5.006 4.350 -0.002 0.000 0.291 33 T C -0.199 174.484 174.700 -0.029 0.000 0.957 33 T CA -0.085 61.983 62.100 -0.054 0.000 1.002 33 T CB 0.478 69.320 68.868 -0.043 0.000 0.919 33 T HN 0.339 nan 8.240 nan 0.000 0.468 34 L N 3.206 124.418 121.223 -0.018 0.000 2.330 34 L HA 0.643 4.982 4.340 -0.002 0.000 0.271 34 L C 0.166 177.113 176.870 0.129 0.000 1.013 34 L CA -1.089 53.795 54.840 0.073 0.000 0.816 34 L CB 1.704 43.753 42.059 -0.016 0.000 1.287 34 L HN 0.343 nan 8.230 nan 0.000 0.435 35 K N 2.053 122.596 120.400 0.239 0.000 2.324 35 K HA 0.621 4.940 4.320 -0.002 0.000 0.253 35 K C -1.567 175.226 176.600 0.322 0.000 0.932 35 K CA -0.811 55.624 56.287 0.246 0.000 0.799 35 K CB 2.832 35.416 32.500 0.140 0.000 1.154 35 K HN 0.233 nan 8.250 nan 0.000 0.425 36 L N 2.540 123.880 121.223 0.194 0.000 2.341 36 L HA 0.442 4.781 4.340 -0.002 0.000 0.278 36 L C -0.642 176.345 176.870 0.195 0.000 1.005 36 L CA -0.360 54.433 54.840 -0.077 0.000 0.818 36 L CB 1.406 43.233 42.059 -0.386 0.000 1.259 36 L HN 0.547 nan 8.230 nan 0.000 0.418 37 R N 2.815 123.393 120.500 0.129 0.000 2.368 37 R HA 0.721 5.060 4.340 -0.002 0.000 0.302 37 R C -0.893 175.456 176.300 0.082 0.000 1.002 37 R CA 0.147 56.380 56.100 0.222 0.000 0.929 37 R CB 1.057 31.503 30.300 0.244 0.000 1.073 37 R HN 0.900 nan 8.270 nan 0.000 0.464 38 T N 0.130 114.808 114.554 0.206 0.000 2.816 38 T HA 0.375 4.724 4.350 -0.002 0.000 0.299 38 T C -0.229 174.707 174.700 0.393 0.000 1.230 38 T CA -0.740 61.482 62.100 0.203 0.000 1.007 38 T CB 0.727 69.714 68.868 0.199 0.000 1.289 38 T HN 0.360 nan 8.240 nan 0.000 0.508 39 F N 1.640 121.793 119.950 0.339 0.000 2.553 39 F HA 0.282 4.808 4.527 -0.002 0.000 0.356 39 F C 1.441 177.344 175.800 0.171 0.000 1.142 39 F CA -0.740 57.376 58.000 0.192 0.000 1.322 39 F CB 0.730 39.794 39.000 0.107 0.000 1.126 39 F HN 0.629 nan 8.300 nan 0.000 0.599 40 K N 2.027 122.609 120.400 0.302 0.000 2.511 40 K HA 0.105 4.424 4.320 -0.002 0.000 0.280 40 K C 0.927 177.647 176.600 0.200 0.000 1.008 40 K CA 0.896 57.322 56.287 0.230 0.000 1.050 40 K CB 0.124 32.696 32.500 0.119 0.000 0.889 40 K HN 0.884 nan 8.250 nan 0.000 0.484 41 G N 3.635 112.573 108.800 0.228 0.000 2.203 41 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.263 41 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.263 41 G C 0.450 175.465 174.900 0.191 0.000 1.012 41 G CA 0.757 45.962 45.100 0.176 0.000 0.749 41 G HN 0.917 nan 8.290 nan 0.000 0.512 42 D N -0.353 120.197 120.400 0.251 0.000 2.249 42 D HA 0.144 4.783 4.640 -0.002 0.000 0.205 42 D C 1.559 177.953 176.300 0.156 0.000 0.962 42 D CA 1.122 55.250 54.000 0.213 0.000 0.860 42 D CB 0.064 41.034 40.800 0.283 0.000 0.955 42 D HN 0.864 nan 8.370 nan 0.000 0.505 43 I N -3.318 117.345 120.570 0.156 0.000 3.067 43 I HA 0.461 4.630 4.170 -0.002 0.000 0.312 43 I C 0.862 177.012 176.117 0.057 0.000 1.073 43 I CA -0.549 60.767 61.300 0.027 0.000 1.016 43 I CB 2.005 39.897 38.000 -0.179 0.000 1.227 43 I HN -0.231 nan 8.210 nan 0.000 0.456 44 T N -1.536 113.002 114.554 -0.028 0.000 2.990 44 T HA 0.312 4.661 4.350 -0.002 0.000 0.249 44 T C 0.558 175.236 174.700 -0.036 0.000 1.039 44 T CA 0.489 62.608 62.100 0.033 0.000 1.036 44 T CB -0.317 68.569 68.868 0.030 0.000 0.994 44 T HN 0.978 nan 8.240 nan 0.000 0.489 45 S N -0.189 115.368 115.700 -0.239 0.000 2.578 45 S HA 0.760 5.229 4.470 -0.002 0.000 0.272 45 S C -1.664 172.695 174.600 -0.402 0.000 1.145 45 S CA -0.600 57.427 58.200 -0.288 0.000 0.835 45 S CB 1.355 64.510 63.200 -0.075 0.000 1.104 45 S HN 1.067 nan 8.310 nan 0.000 0.458 46 A N 1.640 124.258 122.820 -0.336 0.000 2.520 46 A HA 0.856 5.175 4.320 -0.002 0.000 0.298 46 A C -1.358 176.226 177.584 0.000 0.000 1.051 46 A CA -0.811 51.091 52.037 -0.225 0.000 0.690 46 A CB 1.384 20.164 19.000 -0.367 0.000 1.281 46 A HN 0.764 nan 8.150 nan 0.000 0.402 47 N N 0.805 119.546 118.700 0.067 0.000 2.229 47 N HA 0.506 5.245 4.740 -0.002 0.000 0.298 47 N C -1.320 174.247 175.510 0.094 0.000 1.114 47 N CA -0.385 52.760 53.050 0.157 0.000 0.776 47 N CB 2.044 40.735 38.487 0.341 0.000 1.501 47 N HN 0.591 nan 8.380 nan 0.000 0.474 48 I N 1.288 121.881 120.570 0.039 0.000 2.304 48 I HA 0.186 4.355 4.170 -0.002 0.000 0.291 48 I C 0.508 176.560 176.117 -0.108 0.000 1.018 48 I CA -0.343 60.868 61.300 -0.149 0.000 1.260 48 I CB 0.858 38.751 38.000 -0.178 0.000 1.390 48 I HN 0.187 nan 8.210 nan 0.000 0.475 49 K N 8.417 128.698 120.400 -0.198 0.000 2.334 49 K HA 0.342 4.661 4.320 -0.002 0.000 0.265 49 K C -1.426 175.192 176.600 0.031 0.000 1.039 49 K CA -0.532 55.529 56.287 -0.376 0.000 0.920 49 K CB 0.743 32.849 32.500 -0.656 0.000 1.160 49 K HN 0.528 nan 8.250 nan 0.000 0.451 50 Y N 1.843 122.185 120.300 0.071 0.000 2.485 50 Y HA 0.476 5.025 4.550 -0.001 0.000 0.345 50 Y C -1.209 174.914 175.900 0.372 0.000 0.998 50 Y CA -1.394 56.856 58.100 0.250 0.000 1.059 50 Y CB 0.894 39.438 38.460 0.140 0.000 1.234 50 Y HN 0.516 nan 8.280 nan 0.000 0.461 51 W N 5.537 127.000 121.300 0.271 0.000 2.351 51 W HA 0.378 5.037 4.660 -0.002 0.000 0.311 51 W C -1.493 175.078 176.519 0.086 0.000 1.168 51 W CA -0.271 57.045 57.345 -0.047 0.000 1.200 51 W CB 1.694 31.049 29.460 -0.175 0.000 1.221 51 W HN 0.791 nan 8.180 nan 0.000 0.519 52 D N 3.599 123.685 120.400 -0.523 0.000 2.408 52 D HA 0.096 4.735 4.640 -0.002 0.000 0.243 52 D C 1.333 177.303 176.300 -0.550 0.000 1.075 52 D CA -0.146 53.657 54.000 -0.328 0.000 0.832 52 D CB 1.748 42.427 40.800 -0.202 0.000 1.162 52 D HN 0.431 nan 8.370 nan 0.000 0.515 53 T N 0.914 115.317 114.554 -0.251 0.000 3.007 53 T HA -0.045 4.304 4.350 -0.002 0.000 0.270 53 T C 1.772 176.400 174.700 -0.120 0.000 1.107 53 T CA 0.861 62.907 62.100 -0.089 0.000 1.118 53 T CB 0.011 68.890 68.868 0.019 0.000 0.889 53 T HN 0.306 nan 8.240 nan 0.000 0.506 54 A N 2.948 125.679 122.820 -0.148 0.000 1.902 54 A HA -0.069 4.250 4.320 -0.002 0.000 0.217 54 A C 1.974 179.490 177.584 -0.114 0.000 1.181 54 A CA 1.665 53.636 52.037 -0.111 0.000 0.623 54 A CB -0.435 18.500 19.000 -0.107 0.000 0.818 54 A HN 0.728 nan 8.150 nan 0.000 0.443 55 D N -3.273 117.027 120.400 -0.167 0.000 2.563 55 D HA 0.066 4.705 4.640 -0.002 0.000 0.237 55 D C 0.181 176.337 176.300 -0.240 0.000 1.282 55 D CA 0.005 53.920 54.000 -0.141 0.000 0.816 55 D CB -1.222 39.538 40.800 -0.065 0.000 1.066 55 D HN 0.211 nan 8.370 nan 0.000 0.501 56 N N 0.054 118.530 118.700 -0.374 0.000 2.727 56 N HA -0.219 4.520 4.740 -0.002 0.000 0.249 56 N C -1.125 173.852 175.510 -0.888 0.000 1.048 56 N CA 1.048 53.811 53.050 -0.479 0.000 0.714 56 N CB -1.164 37.278 38.487 -0.075 0.000 0.959 56 N HN 0.649 nan 8.380 nan 0.000 0.544 57 A N -0.449 121.608 122.820 -1.272 0.000 2.606 57 A HA 0.682 5.001 4.320 -0.002 0.000 0.293 57 A C -0.666 176.361 177.584 -0.928 0.000 1.082 57 A CA -0.725 50.741 52.037 -0.952 0.000 0.685 57 A CB 0.677 19.393 19.000 -0.474 0.000 1.284 57 A HN 0.139 nan 8.150 nan 0.000 0.408 58 F N 0.452 120.180 119.950 -0.370 0.000 2.382 58 F HA 0.520 5.046 4.527 -0.002 0.000 0.331 58 F C 0.528 175.941 175.800 -0.645 0.000 1.121 58 F CA 0.928 58.769 58.000 -0.265 0.000 1.183 58 F CB 1.113 40.056 39.000 -0.095 0.000 1.207 58 F HN 0.579 nan 8.300 nan 0.000 0.555 59 H N 0.647 119.537 119.070 -0.300 0.000 2.782 59 H HA 0.199 4.754 4.556 -0.001 0.000 0.347 59 H C -1.267 173.892 175.328 -0.283 0.000 1.038 59 H CA -0.969 54.845 56.048 -0.390 0.000 1.255 59 H CB 1.151 30.353 29.762 -0.934 0.000 1.623 59 H HN 0.514 nan 8.280 nan 0.000 0.525 60 W N 3.806 125.098 121.300 -0.013 0.000 2.361 60 W HA 0.469 5.128 4.660 -0.002 0.000 0.309 60 W C -0.874 175.702 176.519 0.095 0.000 1.122 60 W CA -0.520 56.855 57.345 0.049 0.000 1.208 60 W CB 1.688 31.168 29.460 0.033 0.000 1.246 60 W HN 0.254 nan 8.180 nan 0.000 0.490 61 V N 6.228 126.319 119.914 0.295 0.000 2.380 61 V HA 0.189 4.308 4.120 -0.002 0.000 0.286 61 V C -2.061 174.155 176.094 0.203 0.000 1.015 61 V CA -2.072 60.371 62.300 0.238 0.000 0.834 61 V CB 1.718 33.672 31.823 0.217 0.000 1.009 61 V HN 0.301 nan 8.190 nan 0.000 0.428 62 P HA 0.266 nan 4.420 nan 0.000 0.269 62 P C -0.369 177.046 177.300 0.191 0.000 1.215 62 P CA 0.057 63.268 63.100 0.185 0.000 0.780 62 P CB 0.545 32.344 31.700 0.165 0.000 0.898 63 M N 1.090 120.831 119.600 0.236 0.000 2.644 63 M HA 0.528 5.007 4.480 -0.002 0.000 0.316 63 M C -0.360 176.235 176.300 0.492 0.000 1.200 63 M CA -0.999 54.496 55.300 0.325 0.000 0.944 63 M CB 2.002 34.817 32.600 0.359 0.000 1.691 63 M HN 0.080 nan 8.290 nan 0.000 0.471 64 V N -1.541 118.631 119.914 0.431 0.000 2.823 64 V HA 0.561 4.680 4.120 -0.002 0.000 0.312 64 V C -1.387 174.710 176.094 0.006 0.000 1.072 64 V CA -0.920 61.566 62.300 0.310 0.000 0.937 64 V CB 1.600 33.517 31.823 0.156 0.000 1.013 64 V HN 1.011 nan 8.190 nan 0.000 0.430 65 W N 3.687 124.562 121.300 -0.710 0.000 2.264 65 W HA 0.275 4.935 4.660 -0.002 0.000 0.331 65 W C 0.980 177.250 176.519 -0.416 0.000 1.364 65 W CA 0.893 57.593 57.345 -1.075 0.000 1.253 65 W CB 0.866 29.696 29.460 -1.050 0.000 1.215 65 W HN 0.975 nan 8.180 nan 0.000 0.561 66 D N 1.916 121.586 120.400 -1.216 0.000 2.716 66 D HA 0.027 4.666 4.640 -0.002 0.000 0.273 66 D C -0.011 175.438 176.300 -1.418 0.000 1.024 66 D CA 1.268 54.709 54.000 -0.932 0.000 0.944 66 D CB 0.564 41.102 40.800 -0.436 0.000 1.186 66 D HN 0.363 nan 8.370 nan 0.000 0.485 67 S N -1.025 113.726 115.700 -1.580 0.000 2.660 67 S HA 0.370 4.840 4.470 -0.002 0.000 0.264 67 S C -1.555 172.914 174.600 -0.218 0.000 1.131 67 S CA -0.998 56.662 58.200 -0.900 0.000 0.846 67 S CB 1.181 64.209 63.200 -0.286 0.000 1.151 67 S HN 0.150 nan 8.310 nan 0.000 0.486 68 N N 0.992 119.763 118.700 0.118 0.000 2.335 68 N HA 0.506 5.245 4.740 -0.002 0.000 0.304 68 N C -1.427 174.181 175.510 0.162 0.000 1.135 68 N CA -0.840 52.305 53.050 0.159 0.000 0.817 68 N CB 1.063 39.692 38.487 0.236 0.000 1.294 68 N HN 0.798 nan 8.380 nan 0.000 0.497 69 D N 0.587 121.060 120.400 0.122 0.000 2.377 69 D HA 0.125 4.764 4.640 -0.002 0.000 0.245 69 D C -1.856 174.567 176.300 0.206 0.000 1.196 69 D CA -1.314 52.842 54.000 0.260 0.000 0.962 69 D CB 0.435 41.411 40.800 0.292 0.000 1.127 69 D HN 0.207 nan 8.370 nan 0.000 0.471 70 P HA -0.127 nan 4.420 nan 0.000 0.217 70 P C 1.316 178.691 177.300 0.125 0.000 1.148 70 P CA 2.170 65.352 63.100 0.137 0.000 0.828 70 P CB -0.093 31.679 31.700 0.120 0.000 0.783 71 T N -5.416 109.230 114.554 0.154 0.000 3.148 71 T HA 0.230 4.579 4.350 -0.002 0.000 0.253 71 T C 1.547 176.298 174.700 0.084 0.000 1.134 71 T CA 0.492 62.666 62.100 0.122 0.000 1.051 71 T CB -1.068 67.896 68.868 0.160 0.000 0.959 71 T HN 0.227 nan 8.240 nan 0.000 0.525 72 G N 0.549 109.411 108.800 0.103 0.000 2.168 72 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.257 72 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.257 72 G C 0.728 175.636 174.900 0.013 0.000 0.997 72 G CA 0.716 45.858 45.100 0.070 0.000 0.708 72 G HN 0.563 nan 8.290 nan 0.000 0.520 73 T N -0.840 113.702 114.554 -0.021 0.000 3.044 73 T HA 0.412 4.761 4.350 -0.002 0.000 0.255 73 T C 0.586 175.073 174.700 -0.355 0.000 1.073 73 T CA 0.908 62.846 62.100 -0.269 0.000 1.125 73 T CB 0.096 68.684 68.868 -0.467 0.000 0.908 73 T HN 0.342 nan 8.240 nan 0.000 0.480 74 F N 0.729 120.751 119.950 0.120 0.000 2.598 74 F HA 0.592 5.118 4.527 -0.002 0.000 0.327 74 F C -0.193 175.580 175.800 -0.045 0.000 1.057 74 F CA -1.576 56.462 58.000 0.064 0.000 0.957 74 F CB 1.148 40.106 39.000 -0.069 0.000 1.278 74 F HN -0.244 nan 8.300 nan 0.000 0.484 75 D N -0.291 120.249 120.400 0.233 0.000 2.299 75 D HA 0.356 4.995 4.640 -0.002 0.000 0.243 75 D C -1.451 174.836 176.300 -0.021 0.000 0.982 75 D CA -0.234 53.890 54.000 0.208 0.000 0.924 75 D CB 1.630 42.739 40.800 0.515 0.000 1.238 75 D HN 0.412 nan 8.370 nan 0.000 0.484 76 Y N 0.047 120.358 120.300 0.018 0.000 2.338 76 Y HA 0.332 4.882 4.550 -0.001 0.000 0.333 76 Y C -0.647 175.145 175.900 -0.180 0.000 0.968 76 Y CA -1.086 57.013 58.100 -0.002 0.000 1.123 76 Y CB 1.446 39.849 38.460 -0.096 0.000 1.165 76 Y HN 0.225 nan 8.280 nan 0.000 0.452 77 W N 4.261 125.628 121.300 0.110 0.000 2.551 77 W HA 0.595 5.255 4.660 -0.001 0.000 0.330 77 W C -0.713 175.835 176.519 0.048 0.000 1.063 77 W CA -0.895 56.484 57.345 0.056 0.000 1.222 77 W CB 1.623 31.139 29.460 0.094 0.000 1.349 77 W HN 0.303 nan 8.180 nan 0.000 0.536 78 K N 1.736 122.267 120.400 0.217 0.000 2.426 78 K HA 0.979 5.298 4.320 -0.002 0.000 0.251 78 K C -0.414 176.270 176.600 0.139 0.000 0.941 78 K CA -1.041 55.327 56.287 0.135 0.000 0.808 78 K CB 2.300 34.816 32.500 0.026 0.000 1.265 78 K HN 0.569 nan 8.250 nan 0.000 0.432 79 G N 0.653 109.510 108.800 0.095 0.000 2.696 79 G HA2 0.548 4.507 3.960 -0.002 0.000 0.295 79 G HA3 0.548 4.507 3.960 -0.002 0.000 0.295 79 G C -1.501 173.397 174.900 -0.004 0.000 1.398 79 G CA -0.713 44.427 45.100 0.067 0.000 0.920 79 G HN 0.457 nan 8.290 nan 0.000 0.492 80 T N 1.426 115.973 114.554 -0.012 0.000 2.812 80 T HA 0.481 4.830 4.350 -0.002 0.000 0.282 80 T C 0.057 174.707 174.700 -0.083 0.000 0.990 80 T CA -0.201 61.865 62.100 -0.056 0.000 0.960 80 T CB 1.255 70.103 68.868 -0.033 0.000 0.948 80 T HN 0.373 nan 8.240 nan 0.000 0.438 81 I N 4.736 125.200 120.570 -0.177 0.000 2.342 81 I HA 0.267 4.436 4.170 -0.002 0.000 0.291 81 I C -2.044 173.942 176.117 -0.218 0.000 1.010 81 I CA -2.427 58.702 61.300 -0.285 0.000 1.308 81 I CB 1.176 38.852 38.000 -0.540 0.000 1.400 81 I HN 0.311 nan 8.210 nan 0.000 0.488 82 P HA 0.011 nan 4.420 nan 0.000 0.265 82 P C -0.582 176.639 177.300 -0.133 0.000 1.187 82 P CA -0.065 62.978 63.100 -0.095 0.000 0.766 82 P CB 0.561 32.241 31.700 -0.034 0.000 0.820 83 A N 2.603 125.369 122.820 -0.091 0.000 2.322 83 A HA 0.674 4.993 4.320 -0.002 0.000 0.269 83 A C 0.096 177.636 177.584 -0.074 0.000 1.094 83 A CA 0.328 52.314 52.037 -0.086 0.000 0.807 83 A CB 0.109 19.073 19.000 -0.060 0.000 1.047 83 A HN 0.666 nan 8.150 nan 0.000 0.487 84 S N 0.111 115.768 115.700 -0.071 0.000 2.712 84 S HA 0.414 4.883 4.470 -0.002 0.000 0.279 84 S C -2.987 171.581 174.600 -0.054 0.000 1.025 84 S CA -0.590 57.574 58.200 -0.059 0.000 0.861 84 S CB 0.599 63.758 63.200 -0.069 0.000 1.091 84 S HN 0.222 nan 8.310 nan 0.000 0.457 85 P HA 0.056 nan 4.420 nan 0.000 0.230 85 P C 0.568 177.844 177.300 -0.039 0.000 1.158 85 P CA 0.995 64.077 63.100 -0.031 0.000 0.769 85 P CB -0.212 31.475 31.700 -0.022 0.000 0.807 86 S N -0.166 115.501 115.700 -0.056 0.000 2.572 86 S HA 0.149 4.618 4.470 -0.002 0.000 0.279 86 S C 0.291 174.841 174.600 -0.083 0.000 1.341 86 S CA -0.574 57.585 58.200 -0.068 0.000 1.043 86 S CB -0.082 63.068 63.200 -0.083 0.000 0.887 86 S HN -0.048 nan 8.310 nan 0.000 0.516 87 I N 2.480 122.995 120.570 -0.093 0.000 2.634 87 I HA 0.240 4.409 4.170 -0.002 0.000 0.284 87 I C 0.534 176.494 176.117 -0.262 0.000 1.124 87 I CA 0.075 61.294 61.300 -0.135 0.000 1.417 87 I CB 0.527 38.459 38.000 -0.113 0.000 1.396 87 I HN 0.669 nan 8.210 nan 0.000 0.571 88 K N 5.724 125.946 120.400 -0.297 0.000 2.477 88 K HA 0.589 4.908 4.320 -0.002 0.000 0.255 88 K C -1.715 174.687 176.600 -0.330 0.000 0.952 88 K CA -0.799 55.316 56.287 -0.286 0.000 0.826 88 K CB 2.373 34.819 32.500 -0.089 0.000 1.331 88 K HN 0.318 nan 8.250 nan 0.000 0.437 89 Y N 0.695 121.153 120.300 0.263 0.000 2.462 89 Y HA 0.458 5.007 4.550 -0.002 0.000 0.346 89 Y C -0.634 175.418 175.900 0.253 0.000 0.976 89 Y CA -1.193 56.966 58.100 0.098 0.000 1.044 89 Y CB 1.613 40.045 38.460 -0.047 0.000 1.230 89 Y HN 0.573 nan 8.280 nan 0.000 0.455 90 Y N 0.334 120.766 120.300 0.220 0.000 2.588 90 Y HA 0.892 5.441 4.550 -0.002 0.000 0.343 90 Y C -1.083 174.874 175.900 0.094 0.000 1.065 90 Y CA -1.817 56.365 58.100 0.136 0.000 1.038 90 Y CB 1.750 40.210 38.460 0.001 0.000 1.297 90 Y HN 0.714 nan 8.280 nan 0.000 0.467 91 R N 0.766 121.377 120.500 0.185 0.000 2.795 91 R HA 0.734 5.073 4.340 -0.002 0.000 0.268 91 R C -2.223 174.069 176.300 -0.015 0.000 1.041 91 R CA -0.861 55.343 56.100 0.174 0.000 0.927 91 R CB 1.735 32.148 30.300 0.188 0.000 1.235 91 R HN 0.577 nan 8.270 nan 0.000 0.463 92 F N 0.106 120.232 119.950 0.293 0.000 2.508 92 F HA 0.395 4.921 4.527 -0.002 0.000 0.325 92 F C 0.039 175.812 175.800 -0.045 0.000 1.090 92 F CA -0.764 57.297 58.000 0.103 0.000 0.945 92 F CB 2.315 41.318 39.000 0.005 0.000 1.156 92 F HN 0.418 nan 8.300 nan 0.000 0.463 93 Q N 4.007 123.743 119.800 -0.107 0.000 2.368 93 Q HA 0.563 4.902 4.340 -0.002 0.000 0.263 93 Q C -1.439 174.357 176.000 -0.339 0.000 1.009 93 Q CA -0.348 55.052 55.803 -0.672 0.000 0.818 93 Q CB 1.000 29.321 28.738 -0.696 0.000 1.239 93 Q HN 0.714 nan 8.270 nan 0.000 0.464 94 I N 4.092 124.451 120.570 -0.352 0.000 2.339 94 I HA 0.381 4.550 4.170 -0.002 0.000 0.290 94 I C -0.521 175.463 176.117 -0.222 0.000 0.994 94 I CA -0.825 60.327 61.300 -0.247 0.000 1.191 94 I CB 1.302 39.186 38.000 -0.194 0.000 1.343 94 I HN 0.504 nan 8.210 nan 0.000 0.458 95 N N 4.813 123.393 118.700 -0.200 0.000 2.269 95 N HA 0.393 5.132 4.740 -0.002 0.000 0.304 95 N C -1.344 174.111 175.510 -0.093 0.000 1.072 95 N CA -0.603 52.368 53.050 -0.131 0.000 0.802 95 N CB 2.622 41.040 38.487 -0.115 0.000 1.348 95 N HN 0.506 nan 8.380 nan 0.000 0.484 96 D N 0.361 120.740 120.400 -0.035 0.000 2.386 96 D HA 0.446 5.085 4.640 -0.002 0.000 0.247 96 D C 0.828 177.135 176.300 0.011 0.000 1.336 96 D CA 0.180 54.179 54.000 -0.001 0.000 0.976 96 D CB 0.499 41.318 40.800 0.031 0.000 1.257 96 D HN 0.752 nan 8.370 nan 0.000 0.570 97 G N 3.101 111.906 108.800 0.008 0.000 2.591 97 G HA2 -0.369 3.590 3.960 -0.002 0.000 0.298 97 G HA3 -0.369 3.590 3.960 -0.002 0.000 0.298 97 G C 1.114 176.019 174.900 0.008 0.000 1.195 97 G CA 0.963 46.070 45.100 0.012 0.000 0.989 97 G HN 0.970 nan 8.290 nan 0.000 0.551 98 T N -1.609 112.954 114.554 0.016 0.000 3.129 98 T HA 0.495 4.844 4.350 -0.002 0.000 0.251 98 T C 1.199 175.916 174.700 0.028 0.000 1.117 98 T CA 1.399 63.510 62.100 0.019 0.000 1.034 98 T CB 0.154 69.035 68.868 0.022 0.000 0.968 98 T HN 1.391 nan 8.240 nan 0.000 0.526 99 S N 0.978 116.697 115.700 0.030 0.000 2.525 99 S HA 0.550 5.019 4.470 -0.002 0.000 0.278 99 S C -0.582 174.034 174.600 0.028 0.000 1.234 99 S CA -0.378 57.850 58.200 0.047 0.000 1.058 99 S CB 0.717 63.954 63.200 0.061 0.000 0.983 99 S HN 0.414 nan 8.310 nan 0.000 0.495 100 T N 3.300 117.880 114.554 0.044 0.000 2.916 100 T HA 0.752 5.101 4.350 -0.002 0.000 0.298 100 T C -0.945 173.763 174.700 0.012 0.000 1.031 100 T CA -0.446 61.632 62.100 -0.035 0.000 0.993 100 T CB 1.572 70.397 68.868 -0.071 0.000 1.045 100 T HN 0.892 nan 8.240 nan 0.000 0.454 101 A N 2.100 124.859 122.820 -0.102 0.000 2.454 101 A HA 0.883 5.202 4.320 -0.002 0.000 0.302 101 A C -2.006 175.429 177.584 -0.248 0.000 1.079 101 A CA -0.890 51.144 52.037 -0.005 0.000 0.731 101 A CB 1.252 20.309 19.000 0.096 0.000 1.299 101 A HN 0.784 nan 8.150 nan 0.000 0.413 102 W N -0.684 120.606 121.300 -0.016 0.000 2.719 102 W HA 0.669 5.328 4.660 -0.002 0.000 0.352 102 W C -0.957 175.567 176.519 0.009 0.000 1.085 102 W CA -0.072 57.283 57.345 0.017 0.000 1.187 102 W CB 1.526 30.978 29.460 -0.013 0.000 1.417 102 W HN 0.654 nan 8.180 nan 0.000 0.557 103 Y N 3.078 123.519 120.300 0.236 0.000 2.401 103 Y HA 0.321 4.870 4.550 -0.002 0.000 0.330 103 Y C -0.353 175.750 175.900 0.339 0.000 1.071 103 Y CA -1.225 56.971 58.100 0.161 0.000 1.049 103 Y CB 0.979 39.475 38.460 0.059 0.000 1.239 103 Y HN 0.665 nan 8.280 nan 0.000 0.437 104 N N 0.989 119.734 118.700 0.074 0.000 3.479 104 N HA 0.389 5.129 4.740 -0.002 0.000 0.336 104 N C 0.741 175.937 175.510 -0.522 0.000 1.623 104 N CA -0.649 52.405 53.050 0.006 0.000 0.759 104 N CB 0.781 39.152 38.487 -0.193 0.000 2.016 104 N HN 0.648 nan 8.380 nan 0.000 0.637 105 G N -0.349 107.737 108.800 -1.191 0.000 2.499 105 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.221 105 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.221 105 G C 0.778 175.394 174.900 -0.474 0.000 1.109 105 G CA 0.746 45.196 45.100 -1.083 0.000 0.749 105 G HN 0.593 nan 8.290 nan 0.000 0.568 106 N N 0.403 118.857 118.700 -0.410 0.000 2.238 106 N HA 0.277 5.016 4.740 -0.002 0.000 0.222 106 N C 1.161 176.471 175.510 -0.334 0.000 1.133 106 N CA 0.868 53.745 53.050 -0.287 0.000 0.854 106 N CB 0.813 39.160 38.487 -0.234 0.000 1.041 106 N HN 0.440 nan 8.380 nan 0.000 0.510 107 G N 1.409 109.869 108.800 -0.566 0.000 2.545 107 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.216 107 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.216 107 G C -2.955 171.358 174.900 -0.978 0.000 1.314 107 G CA -0.820 43.751 45.100 -0.881 0.000 0.906 107 G HN 0.102 nan 8.290 nan 0.000 0.563 108 P HA 0.517 nan 4.420 nan 0.000 0.278 108 P C -0.481 176.323 177.300 -0.825 0.000 1.238 108 P CA 0.329 62.949 63.100 -0.800 0.000 0.794 108 P CB 1.839 32.899 31.700 -1.067 0.000 0.955 109 S N 0.195 115.496 115.700 -0.665 0.000 2.537 109 S HA 0.333 4.802 4.470 -0.002 0.000 0.270 109 S C 0.991 175.656 174.600 0.108 0.000 1.142 109 S CA -0.229 57.832 58.200 -0.232 0.000 0.870 109 S CB 0.857 64.011 63.200 -0.077 0.000 1.112 109 S HN 0.435 nan 8.310 nan 0.000 0.466 110 S N 1.528 117.457 115.700 0.381 0.000 2.470 110 S HA 0.141 4.610 4.470 -0.002 0.000 0.225 110 S C 0.832 175.632 174.600 0.333 0.000 1.006 110 S CA 0.807 59.277 58.200 0.450 0.000 0.934 110 S CB -0.618 62.822 63.200 0.400 0.000 0.778 110 S HN 1.070 nan 8.310 nan 0.000 0.517 111 T N -0.206 114.464 114.554 0.195 0.000 2.885 111 T HA 0.501 4.850 4.350 -0.002 0.000 0.285 111 T C -0.730 173.845 174.700 -0.207 0.000 1.019 111 T CA -0.867 61.257 62.100 0.039 0.000 1.010 111 T CB 1.774 70.634 68.868 -0.014 0.000 1.022 111 T HN 0.290 nan 8.240 nan 0.000 0.466 112 E N 2.715 122.526 120.200 -0.648 0.000 2.328 112 E HA 0.234 4.583 4.350 -0.002 0.000 0.265 112 E C -2.096 174.150 176.600 -0.590 0.000 1.057 112 E CA -1.483 54.201 56.400 -1.193 0.000 0.916 112 E CB -0.003 28.645 29.700 -1.753 0.000 0.993 112 E HN 0.392 nan 8.360 nan 0.000 0.446 113 P HA 0.039 nan 4.420 nan 0.000 0.270 113 P C -0.642 176.486 177.300 -0.286 0.000 1.223 113 P CA -0.063 62.869 63.100 -0.279 0.000 0.785 113 P CB 0.557 32.125 31.700 -0.220 0.000 0.923 114 N N -0.364 118.194 118.700 -0.236 0.000 2.177 114 N HA 0.439 5.178 4.740 -0.002 0.000 0.218 114 N C -0.246 175.119 175.510 -0.242 0.000 1.182 114 N CA -0.386 52.531 53.050 -0.221 0.000 0.882 114 N CB 0.687 39.057 38.487 -0.195 0.000 1.052 114 N HN 0.387 nan 8.380 nan 0.000 0.519 115 A N -0.581 122.088 122.820 -0.252 0.000 2.557 115 A HA 0.596 4.915 4.320 -0.002 0.000 0.292 115 A C -1.137 176.263 177.584 -0.307 0.000 1.139 115 A CA -0.325 51.539 52.037 -0.288 0.000 0.665 115 A CB 0.329 19.178 19.000 -0.252 0.000 1.285 115 A HN 0.044 nan 8.150 nan 0.000 0.433 116 D N 0.265 120.461 120.400 -0.340 0.000 3.041 116 D HA -0.114 4.525 4.640 -0.002 0.000 0.220 116 D C -0.358 175.636 176.300 -0.510 0.000 1.157 116 D CA 1.668 55.442 54.000 -0.376 0.000 0.876 116 D CB -1.124 39.482 40.800 -0.323 0.000 1.107 116 D HN 0.603 nan 8.370 nan 0.000 0.422 117 D N -0.777 119.319 120.400 -0.507 0.000 2.361 117 D HA 0.170 4.809 4.640 -0.002 0.000 0.239 117 D C 1.078 176.956 176.300 -0.703 0.000 1.200 117 D CA 0.172 53.870 54.000 -0.503 0.000 0.915 117 D CB 0.272 40.889 40.800 -0.305 0.000 1.170 117 D HN -0.023 nan 8.370 nan 0.000 0.444 118 F N 0.071 119.661 119.950 -0.601 0.000 2.403 118 F HA 0.192 4.718 4.527 -0.001 0.000 0.320 118 F C 0.501 175.980 175.800 -0.535 0.000 1.176 118 F CA -0.195 57.427 58.000 -0.630 0.000 1.206 118 F CB 0.419 38.802 39.000 -1.028 0.000 1.235 118 F HN 0.181 nan 8.300 nan 0.000 0.565 119 Y N 1.051 121.442 120.300 0.152 0.000 2.420 119 Y HA 0.621 5.170 4.550 -0.002 0.000 0.334 119 Y C -0.135 175.909 175.900 0.240 0.000 1.094 119 Y CA -0.855 57.379 58.100 0.223 0.000 1.126 119 Y CB 1.394 39.983 38.460 0.215 0.000 1.217 119 Y HN 0.210 nan 8.280 nan 0.000 0.462 120 I N 4.734 125.512 120.570 0.347 0.000 2.517 120 I HA 0.326 4.495 4.170 -0.002 0.000 0.280 120 I C -1.259 174.945 176.117 0.145 0.000 1.061 120 I CA -0.223 61.207 61.300 0.216 0.000 1.091 120 I CB 1.055 39.128 38.000 0.122 0.000 1.205 120 I HN 0.470 nan 8.210 nan 0.000 0.459 121 I N 7.723 128.397 120.570 0.174 0.000 2.428 121 I HA 0.326 4.495 4.170 -0.002 0.000 0.279 121 I C -2.411 173.788 176.117 0.136 0.000 1.040 121 I CA -1.860 59.527 61.300 0.145 0.000 1.171 121 I CB 1.282 39.408 38.000 0.211 0.000 1.312 121 I HN 0.158 nan 8.210 nan 0.000 0.470 122 P HA 0.059 nan 4.420 nan 0.000 0.268 122 P C -0.155 177.194 177.300 0.081 0.000 1.204 122 P CA 0.249 63.381 63.100 0.053 0.000 0.768 122 P CB 0.238 31.944 31.700 0.009 0.000 0.842 123 N N 0.383 119.133 118.700 0.083 0.000 2.754 123 N HA -0.222 4.517 4.740 -0.002 0.000 0.248 123 N C -0.981 174.642 175.510 0.189 0.000 1.093 123 N CA 0.123 53.231 53.050 0.096 0.000 0.699 123 N CB -1.408 37.117 38.487 0.064 0.000 1.016 123 N HN 0.426 nan 8.380 nan 0.000 0.552 124 F N 1.129 121.078 119.950 -0.003 0.000 2.500 124 F HA 0.481 5.007 4.527 -0.001 0.000 0.349 124 F C -0.379 175.413 175.800 -0.012 0.000 1.127 124 F CA -1.014 56.984 58.000 -0.003 0.000 0.998 124 F CB 0.859 39.856 39.000 -0.005 0.000 1.237 124 F HN -0.157 nan 8.300 nan 0.000 0.439 125 K N 4.429 124.742 120.400 -0.144 0.000 2.443 125 K HA 0.455 4.774 4.320 -0.002 0.000 0.252 125 K C -0.892 175.514 176.600 -0.323 0.000 0.933 125 K CA -0.444 55.679 56.287 -0.273 0.000 0.792 125 K CB 1.860 34.296 32.500 -0.107 0.000 1.185 125 K HN 0.571 nan 8.250 nan 0.000 0.425 126 T N 1.059 115.367 114.554 -0.409 0.000 2.945 126 T HA 0.610 4.959 4.350 -0.002 0.000 0.286 126 T C -2.509 171.996 174.700 -0.325 0.000 1.025 126 T CA -2.450 59.441 62.100 -0.349 0.000 1.039 126 T CB 1.342 69.970 68.868 -0.400 0.000 1.068 126 T HN 0.363 nan 8.240 nan 0.000 0.497 127 P HA 0.174 nan 4.420 nan 0.000 0.263 127 P C 0.179 177.117 177.300 -0.604 0.000 1.195 127 P CA -0.054 62.729 63.100 -0.528 0.000 0.762 127 P CB 0.347 31.493 31.700 -0.924 0.000 0.799 128 D N 2.562 122.755 120.400 -0.345 0.000 2.264 128 D HA -0.110 4.529 4.640 -0.002 0.000 0.208 128 D C 1.668 177.825 176.300 -0.239 0.000 0.966 128 D CA 0.935 54.786 54.000 -0.248 0.000 0.864 128 D CB -0.197 40.538 40.800 -0.109 0.000 0.933 128 D HN 0.605 nan 8.370 nan 0.000 0.499 129 W N 0.659 121.815 121.300 -0.240 0.000 2.425 129 W HA -0.040 4.619 4.660 -0.002 0.000 0.277 129 W C 1.543 177.856 176.519 -0.342 0.000 1.231 129 W CA -0.086 57.044 57.345 -0.357 0.000 1.248 129 W CB -1.005 27.980 29.460 -0.792 0.000 1.117 129 W HN -0.064 nan 8.180 nan 0.000 0.568 130 L N 2.280 122.908 121.223 -0.993 0.000 2.109 130 L HA -0.044 4.295 4.340 -0.002 0.000 0.207 130 L C 2.573 179.203 176.870 -0.401 0.000 1.086 130 L CA 1.895 56.244 54.840 -0.818 0.000 0.760 130 L CB -0.697 40.686 42.059 -1.127 0.000 0.910 130 L HN -0.216 nan 8.230 nan 0.000 0.437 131 K N -0.505 119.673 120.400 -0.370 0.000 2.097 131 K HA -0.069 4.250 4.320 -0.002 0.000 0.206 131 K C 1.369 177.874 176.600 -0.159 0.000 1.049 131 K CA 1.386 57.525 56.287 -0.247 0.000 0.933 131 K CB -0.201 32.164 32.500 -0.224 0.000 0.717 131 K HN 0.411 nan 8.250 nan 0.000 0.442 132 N N 0.290 118.919 118.700 -0.117 0.000 2.280 132 N HA 0.018 4.757 4.740 -0.002 0.000 0.192 132 N C 0.606 176.118 175.510 0.004 0.000 1.109 132 N CA 0.203 53.227 53.050 -0.044 0.000 0.855 132 N CB 0.863 39.340 38.487 -0.015 0.000 0.974 132 N HN 0.116 nan 8.380 nan 0.000 0.482 133 G N 0.076 108.885 108.800 0.014 0.000 2.531 133 G HA2 0.515 4.474 3.960 -0.002 0.000 0.313 133 G HA3 0.515 4.474 3.960 -0.002 0.000 0.313 133 G C -0.724 174.209 174.900 0.055 0.000 1.238 133 G CA -0.239 44.908 45.100 0.079 0.000 0.994 133 G HN -0.075 nan 8.290 nan 0.000 0.493 134 V N 0.827 120.795 119.914 0.090 0.000 2.444 134 V HA 0.433 4.552 4.120 -0.002 0.000 0.294 134 V C 0.038 176.209 176.094 0.128 0.000 1.022 134 V CA -0.485 61.864 62.300 0.083 0.000 0.850 134 V CB 1.435 33.303 31.823 0.076 0.000 0.992 134 V HN 0.769 nan 8.190 nan 0.000 0.426 135 M N 4.475 124.154 119.600 0.131 0.000 2.409 135 M HA 0.556 5.035 4.480 -0.002 0.000 0.329 135 M C -1.743 174.702 176.300 0.241 0.000 1.180 135 M CA -0.627 54.781 55.300 0.180 0.000 1.053 135 M CB 1.561 34.249 32.600 0.148 0.000 1.586 135 M HN 0.736 nan 8.290 nan 0.000 0.461 136 Y N 2.966 123.323 120.300 0.096 0.000 2.333 136 Y HA 0.278 4.827 4.550 -0.001 0.000 0.324 136 Y C -0.960 174.970 175.900 0.050 0.000 1.033 136 Y CA -0.606 57.536 58.100 0.070 0.000 1.224 136 Y CB 1.183 39.650 38.460 0.012 0.000 1.120 136 Y HN 0.633 nan 8.280 nan 0.000 0.457 137 Q N 6.433 126.134 119.800 -0.164 0.000 2.279 137 Q HA 0.565 4.904 4.340 -0.002 0.000 0.256 137 Q C -1.413 174.403 176.000 -0.307 0.000 0.937 137 Q CA -0.350 55.366 55.803 -0.146 0.000 0.933 137 Q CB 0.831 29.616 28.738 0.080 0.000 1.189 137 Q HN 0.794 nan 8.270 nan 0.000 0.417 138 I N 4.101 124.426 120.570 -0.408 0.000 2.465 138 I HA 0.268 4.438 4.170 -0.002 0.000 0.291 138 I C -0.943 174.886 176.117 -0.480 0.000 1.014 138 I CA -0.872 60.106 61.300 -0.536 0.000 1.093 138 I CB 1.462 39.069 38.000 -0.654 0.000 1.267 138 I HN 0.652 nan 8.210 nan 0.000 0.431 139 F N 9.140 128.668 119.950 -0.703 0.000 2.334 139 F HA 0.395 4.921 4.527 -0.002 0.000 0.365 139 F C -1.724 173.786 175.800 -0.484 0.000 1.124 139 F CA -2.022 55.702 58.000 -0.461 0.000 1.166 139 F CB 0.758 39.615 39.000 -0.239 0.000 1.355 139 F HN 0.315 nan 8.300 nan 0.000 0.532 140 P HA -0.333 nan 4.420 nan 0.000 0.225 140 P C 1.156 178.254 177.300 -0.337 0.000 1.154 140 P CA 2.141 64.851 63.100 -0.651 0.000 0.933 140 P CB 0.172 31.096 31.700 -1.293 0.000 0.790 141 D N -2.127 118.187 120.400 -0.143 0.000 2.310 141 D HA -0.135 4.504 4.640 -0.002 0.000 0.212 141 D C 1.342 177.816 176.300 0.290 0.000 0.965 141 D CA 0.747 54.906 54.000 0.266 0.000 0.879 141 D CB -0.011 41.034 40.800 0.408 0.000 0.921 141 D HN -0.027 nan 8.370 nan 0.000 0.510 142 R N -0.874 119.742 120.500 0.193 0.000 2.432 142 R HA 0.136 4.475 4.340 -0.002 0.000 0.260 142 R C 1.003 177.497 176.300 0.323 0.000 0.935 142 R CA -0.190 55.948 56.100 0.063 0.000 1.080 142 R CB -0.583 29.702 30.300 -0.026 0.000 1.155 142 R HN 0.315 nan 8.270 nan 0.000 0.531 143 F N -0.221 119.854 119.950 0.208 0.000 2.148 143 F HA 0.121 4.647 4.527 -0.002 0.000 0.285 143 F C -0.047 176.228 175.800 0.792 0.000 1.092 143 F CA 0.418 58.624 58.000 0.343 0.000 1.218 143 F CB 0.552 39.590 39.000 0.064 0.000 1.059 143 F HN -0.089 nan 8.300 nan 0.000 0.490 144 Y N 0.568 121.071 120.300 0.340 0.000 2.376 144 Y HA 0.239 4.788 4.550 -0.001 0.000 0.321 144 Y C -1.157 174.697 175.900 -0.077 0.000 1.189 144 Y CA -1.459 56.607 58.100 -0.057 0.000 1.069 144 Y CB 0.551 38.783 38.460 -0.380 0.000 1.292 144 Y HN -0.082 nan 8.280 nan 0.000 0.430 145 N N 3.368 121.632 118.700 -0.727 0.000 2.508 145 N HA 0.197 4.936 4.740 -0.002 0.000 0.253 145 N C 0.670 175.931 175.510 -0.415 0.000 1.145 145 N CA 0.790 53.607 53.050 -0.389 0.000 0.973 145 N CB 1.225 39.505 38.487 -0.344 0.000 1.305 145 N HN 1.000 nan 8.380 nan 0.000 0.506 146 G N 1.449 110.200 108.800 -0.083 0.000 2.551 146 G HA2 -0.095 3.864 3.960 -0.002 0.000 0.216 146 G HA3 -0.095 3.864 3.960 -0.002 0.000 0.216 146 G C 0.076 174.965 174.900 -0.020 0.000 1.137 146 G CA 0.122 45.233 45.100 0.018 0.000 0.798 146 G HN 0.549 nan 8.290 nan 0.000 0.536 147 D N -0.435 119.954 120.400 -0.018 0.000 2.476 147 D HA 0.242 4.881 4.640 -0.002 0.000 0.251 147 D C 1.367 177.661 176.300 -0.009 0.000 1.291 147 D CA -0.174 53.821 54.000 -0.009 0.000 0.939 147 D CB 1.464 42.275 40.800 0.017 0.000 1.221 147 D HN 0.035 nan 8.370 nan 0.000 0.567 148 S N 1.517 117.200 115.700 -0.029 0.000 2.453 148 S HA -0.139 4.330 4.470 -0.002 0.000 0.231 148 S C 1.760 176.356 174.600 -0.005 0.000 1.005 148 S CA 1.042 59.230 58.200 -0.020 0.000 0.949 148 S CB -0.214 62.964 63.200 -0.037 0.000 0.774 148 S HN 0.359 nan 8.310 nan 0.000 0.510 149 S N 3.083 118.779 115.700 -0.006 0.000 2.474 149 S HA -0.109 4.360 4.470 -0.002 0.000 0.235 149 S C 1.424 176.023 174.600 -0.001 0.000 0.997 149 S CA 0.913 59.111 58.200 -0.004 0.000 0.949 149 S CB -0.832 62.365 63.200 -0.005 0.000 0.766 149 S HN 0.818 nan 8.310 nan 0.000 0.517 150 N N 0.631 119.337 118.700 0.010 0.000 2.280 150 N HA 0.122 4.861 4.740 -0.002 0.000 0.192 150 N C -0.978 174.535 175.510 0.004 0.000 1.109 150 N CA -0.180 52.876 53.050 0.010 0.000 0.855 150 N CB -0.590 37.917 38.487 0.032 0.000 0.974 150 N HN 0.127 nan 8.380 nan 0.000 0.482 151 D N 0.765 121.174 120.400 0.014 0.000 2.525 151 D HA -0.013 4.627 4.640 -0.002 0.000 0.235 151 D C -0.124 176.144 176.300 -0.053 0.000 1.137 151 D CA 0.065 54.075 54.000 0.017 0.000 0.868 151 D CB 1.130 41.950 40.800 0.034 0.000 1.180 151 D HN -0.100 nan 8.370 nan 0.000 0.465 152 V N 4.334 124.170 119.914 -0.129 0.000 2.521 152 V HA -0.021 4.098 4.120 -0.002 0.000 0.286 152 V C 0.685 176.675 176.094 -0.173 0.000 1.034 152 V CA -0.123 62.011 62.300 -0.278 0.000 1.045 152 V CB 0.689 32.040 31.823 -0.787 0.000 0.974 152 V HN 0.354 nan 8.190 nan 0.000 0.480 153 Q N 2.282 121.999 119.800 -0.139 0.000 2.227 153 Q HA 0.343 4.682 4.340 -0.002 0.000 0.245 153 Q C 0.220 176.151 176.000 -0.116 0.000 0.926 153 Q CA -0.361 55.384 55.803 -0.097 0.000 0.895 153 Q CB 1.295 29.998 28.738 -0.060 0.000 1.230 153 Q HN 0.737 nan 8.270 nan 0.000 0.450 154 T N 0.904 115.401 114.554 -0.094 0.000 2.908 154 T HA 0.215 4.564 4.350 -0.002 0.000 0.301 154 T C 1.121 175.808 174.700 -0.021 0.000 1.019 154 T CA 1.125 63.174 62.100 -0.084 0.000 1.152 154 T CB 0.037 68.842 68.868 -0.105 0.000 0.966 154 T HN 0.823 nan 8.240 nan 0.000 0.540 155 G N 2.580 111.392 108.800 0.020 0.000 2.189 155 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.267 155 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.267 155 G C 1.368 176.253 174.900 -0.024 0.000 0.975 155 G CA 0.875 45.991 45.100 0.026 0.000 0.644 155 G HN 0.773 nan 8.290 nan 0.000 0.537 156 S N -0.520 115.130 115.700 -0.083 0.000 2.372 156 S HA 0.041 4.510 4.470 -0.002 0.000 0.227 156 S C 0.961 175.613 174.600 0.086 0.000 1.044 156 S CA 2.242 60.427 58.200 -0.025 0.000 1.050 156 S CB -0.204 62.965 63.200 -0.052 0.000 0.901 156 S HN 1.639 nan 8.310 nan 0.000 0.447 157 Y N -0.832 119.455 120.300 -0.022 0.000 2.625 157 Y HA 0.666 5.215 4.550 -0.002 0.000 0.338 157 Y C -0.612 175.306 175.900 0.029 0.000 1.123 157 Y CA -0.923 57.170 58.100 -0.012 0.000 1.046 157 Y CB 0.933 39.370 38.460 -0.037 0.000 1.299 157 Y HN -0.002 nan 8.280 nan 0.000 0.464 158 T N -0.437 114.246 114.554 0.215 0.000 2.856 158 T HA 0.636 4.985 4.350 -0.002 0.000 0.283 158 T C -1.756 173.074 174.700 0.217 0.000 1.008 158 T CA -0.660 61.524 62.100 0.140 0.000 0.997 158 T CB 1.784 70.682 68.868 0.050 0.000 0.992 158 T HN 0.895 nan 8.240 nan 0.000 0.454 159 Y N 2.708 123.037 120.300 0.048 0.000 2.433 159 Y HA 0.462 5.011 4.550 -0.001 0.000 0.337 159 Y C 0.429 176.325 175.900 -0.007 0.000 1.026 159 Y CA -0.641 57.450 58.100 -0.016 0.000 1.037 159 Y CB 1.453 39.966 38.460 0.088 0.000 1.245 159 Y HN 0.911 nan 8.280 nan 0.000 0.443 160 N N 3.862 122.168 118.700 -0.656 0.000 2.776 160 N HA -0.183 4.556 4.740 -0.002 0.000 0.250 160 N C 0.613 176.049 175.510 -0.125 0.000 1.112 160 N CA 1.741 54.570 53.050 -0.368 0.000 0.733 160 N CB -1.216 37.158 38.487 -0.188 0.000 1.097 160 N HN 1.752 nan 8.380 nan 0.000 0.558 161 G N -2.113 106.618 108.800 -0.115 0.000 2.148 161 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.254 161 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.254 161 G C 0.033 174.916 174.900 -0.028 0.000 0.981 161 G CA 0.899 45.968 45.100 -0.051 0.000 0.670 161 G HN 0.653 nan 8.290 nan 0.000 0.528 162 T N 2.128 116.681 114.554 -0.002 0.000 2.893 162 T HA 0.661 5.010 4.350 -0.002 0.000 0.293 162 T C -2.679 172.044 174.700 0.038 0.000 1.027 162 T CA -0.870 61.233 62.100 0.005 0.000 0.988 162 T CB 3.517 72.409 68.868 0.040 0.000 1.043 162 T HN 0.119 nan 8.240 nan 0.000 0.461 163 P HA 0.279 nan 4.420 nan 0.000 0.278 163 P C -0.154 177.239 177.300 0.155 0.000 1.258 163 P CA -0.421 62.708 63.100 0.049 0.000 0.811 163 P CB 0.477 32.200 31.700 0.039 0.000 1.063 164 T N -1.982 112.571 114.554 -0.002 0.000 2.882 164 T HA 0.355 4.705 4.350 -0.002 0.000 0.287 164 T C -0.204 174.532 174.700 0.061 0.000 1.014 164 T CA -0.516 61.576 62.100 -0.013 0.000 1.049 164 T CB 0.973 69.601 68.868 -0.400 0.000 1.001 164 T HN 0.573 nan 8.240 nan 0.000 0.525 165 E N 0.290 120.483 120.200 -0.012 0.000 2.292 165 E HA 0.381 4.730 4.350 -0.002 0.000 0.272 165 E C -1.200 175.309 176.600 -0.153 0.000 0.881 165 E CA -0.953 55.266 56.400 -0.303 0.000 0.754 165 E CB 1.789 31.029 29.700 -0.765 0.000 1.201 165 E HN 0.714 nan 8.360 nan 0.000 0.425 166 K N 3.348 123.633 120.400 -0.192 0.000 2.183 166 K HA 0.278 4.597 4.320 -0.002 0.000 0.274 166 K C -0.866 175.576 176.600 -0.263 0.000 1.009 166 K CA -0.684 55.520 56.287 -0.139 0.000 0.888 166 K CB 0.807 33.254 32.500 -0.089 0.000 1.078 166 K HN 0.232 nan 8.250 nan 0.000 0.459 167 K N 1.974 122.117 120.400 -0.428 0.000 2.164 167 K HA 0.380 4.699 4.320 -0.002 0.000 0.258 167 K C -0.684 175.620 176.600 -0.493 0.000 0.951 167 K CA -0.692 55.203 56.287 -0.653 0.000 0.844 167 K CB 1.930 33.608 32.500 -1.370 0.000 1.099 167 K HN 0.774 nan 8.250 nan 0.000 0.435 168 A N 2.613 125.291 122.820 -0.237 0.000 2.425 168 A HA 0.083 4.402 4.320 -0.002 0.000 0.249 168 A C -0.245 177.457 177.584 0.197 0.000 1.084 168 A CA -0.454 51.593 52.037 0.016 0.000 0.781 168 A CB 0.142 19.168 19.000 0.042 0.000 1.019 168 A HN 0.698 nan 8.150 nan 0.000 0.490 169 W N 1.734 123.151 121.300 0.195 0.000 2.264 169 W HA 0.326 4.985 4.660 -0.002 0.000 0.331 169 W C 1.060 177.739 176.519 0.265 0.000 1.364 169 W CA 1.840 59.386 57.345 0.334 0.000 1.253 169 W CB 0.601 30.187 29.460 0.210 0.000 1.215 169 W HN 1.444 nan 8.180 nan 0.000 0.561 170 G N 2.840 111.675 108.800 0.060 0.000 2.159 170 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.256 170 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.256 170 G C 0.129 175.105 174.900 0.126 0.000 0.977 170 G CA 0.399 45.555 45.100 0.093 0.000 0.652 170 G HN 0.859 nan 8.290 nan 0.000 0.531 171 S N -0.698 115.132 115.700 0.217 0.000 2.713 171 S HA 0.770 5.239 4.470 -0.002 0.000 0.283 171 S C 0.581 175.312 174.600 0.217 0.000 1.161 171 S CA 0.519 58.820 58.200 0.169 0.000 0.999 171 S CB 1.802 65.061 63.200 0.099 0.000 1.039 171 S HN 1.603 nan 8.310 nan 0.000 0.548 172 S N -0.011 115.789 115.700 0.166 0.000 2.558 172 S HA 0.014 4.483 4.470 -0.002 0.000 0.291 172 S C 1.318 176.063 174.600 0.242 0.000 1.306 172 S CA -0.242 58.076 58.200 0.196 0.000 1.056 172 S CB 0.017 63.352 63.200 0.227 0.000 0.836 172 S HN 1.507 nan 8.310 nan 0.000 0.504 173 V N 3.654 123.648 119.914 0.134 0.000 2.871 173 V HA 0.174 4.293 4.120 -0.002 0.000 0.256 173 V C 0.547 176.628 176.094 -0.022 0.000 1.082 173 V CA 0.370 62.726 62.300 0.093 0.000 1.105 173 V CB -1.494 30.226 31.823 -0.172 0.000 0.713 173 V HN 0.783 nan 8.190 nan 0.000 0.473 174 Y N 1.894 122.247 120.300 0.088 0.000 2.526 174 Y HA 0.508 5.057 4.550 -0.001 0.000 0.330 174 Y C 1.209 177.145 175.900 0.059 0.000 1.156 174 Y CA 0.153 58.293 58.100 0.067 0.000 1.419 174 Y CB 0.122 38.614 38.460 0.053 0.000 1.250 174 Y HN 0.334 nan 8.280 nan 0.000 0.540 175 A N 4.096 127.038 122.820 0.204 0.000 2.498 175 A HA 0.029 4.348 4.320 -0.002 0.000 0.239 175 A C 0.228 177.919 177.584 0.179 0.000 1.068 175 A CA -0.541 51.592 52.037 0.159 0.000 0.766 175 A CB 0.006 19.126 19.000 0.200 0.000 1.003 175 A HN 0.786 nan 8.150 nan 0.000 0.497 176 D N 1.711 122.202 120.400 0.151 0.000 2.360 176 D HA 0.246 4.886 4.640 -0.002 0.000 0.242 176 D C -2.331 174.132 176.300 0.272 0.000 1.184 176 D CA -0.618 53.485 54.000 0.171 0.000 0.930 176 D CB 0.223 41.087 40.800 0.107 0.000 1.161 176 D HN 0.252 nan 8.370 nan 0.000 0.447 177 P HA 0.045 nan 4.420 nan 0.000 0.260 177 P C 0.555 177.906 177.300 0.084 0.000 1.185 177 P CA 0.719 63.889 63.100 0.118 0.000 0.763 177 P CB 0.366 32.109 31.700 0.072 0.000 0.776 178 G N 1.381 110.156 108.800 -0.041 0.000 2.231 178 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.206 178 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.206 178 G C -0.357 174.190 174.900 -0.588 0.000 0.996 178 G CA -0.513 44.388 45.100 -0.332 0.000 0.645 178 G HN 0.437 nan 8.290 nan 0.000 0.498 179 Y N 0.564 120.884 120.300 0.033 0.000 2.621 179 Y HA 0.722 5.271 4.550 -0.002 0.000 0.334 179 Y C 0.004 175.939 175.900 0.059 0.000 1.074 179 Y CA -1.152 56.971 58.100 0.039 0.000 1.149 179 Y CB 1.185 39.661 38.460 0.028 0.000 1.302 179 Y HN 0.045 nan 8.280 nan 0.000 0.501 180 D N 0.220 120.757 120.400 0.228 0.000 2.185 180 D HA 0.130 4.769 4.640 -0.002 0.000 0.247 180 D C 0.034 176.430 176.300 0.160 0.000 1.027 180 D CA -0.272 53.833 54.000 0.175 0.000 0.861 180 D CB 1.292 42.193 40.800 0.167 0.000 1.202 180 D HN 0.577 nan 8.370 nan 0.000 0.453 181 N N 1.087 119.874 118.700 0.146 0.000 2.258 181 N HA -0.125 4.614 4.740 -0.002 0.000 0.187 181 N C 1.269 176.831 175.510 0.086 0.000 1.012 181 N CA 0.860 53.974 53.050 0.108 0.000 0.870 181 N CB 0.034 38.585 38.487 0.106 0.000 0.977 181 N HN 0.243 nan 8.380 nan 0.000 0.434 182 S N -0.040 115.735 115.700 0.126 0.000 2.603 182 S HA 0.221 4.690 4.470 -0.002 0.000 0.220 182 S C 1.156 175.767 174.600 0.018 0.000 0.967 182 S CA 0.090 58.369 58.200 0.131 0.000 0.920 182 S CB 0.311 63.650 63.200 0.231 0.000 0.773 182 S HN 0.247 nan 8.310 nan 0.000 0.529 183 L N 1.313 122.561 121.223 0.041 0.000 3.202 183 L HA 0.361 4.700 4.340 -0.002 0.000 0.278 183 L C -0.762 176.134 176.870 0.043 0.000 1.268 183 L CA -0.136 54.759 54.840 0.093 0.000 1.034 183 L CB 0.832 43.014 42.059 0.206 0.000 1.407 183 L HN 0.003 nan 8.230 nan 0.000 0.581 184 V N 0.630 120.432 119.914 -0.186 0.000 2.407 184 V HA 0.380 4.499 4.120 -0.002 0.000 0.278 184 V C -0.530 175.373 176.094 -0.318 0.000 1.037 184 V CA -0.093 62.130 62.300 -0.128 0.000 0.900 184 V CB 1.335 33.129 31.823 -0.049 0.000 0.983 184 V HN 0.057 nan 8.190 nan 0.000 0.459 185 F N 4.278 124.221 119.950 -0.011 0.000 2.507 185 F HA 0.521 5.047 4.527 -0.002 0.000 0.328 185 F C 0.310 176.135 175.800 0.041 0.000 1.136 185 F CA -0.634 57.421 58.000 0.092 0.000 0.930 185 F CB 1.605 40.634 39.000 0.048 0.000 1.166 185 F HN 0.340 nan 8.300 nan 0.000 0.436 186 F N 0.977 121.055 119.950 0.213 0.000 2.698 186 F HA 0.276 4.802 4.527 -0.002 0.000 0.295 186 F C 1.875 177.904 175.800 0.382 0.000 1.124 186 F CA 0.830 58.943 58.000 0.190 0.000 1.426 186 F CB 0.166 39.116 39.000 -0.084 0.000 1.120 186 F HN 0.718 nan 8.300 nan 0.000 0.583 187 G N -0.332 108.798 108.800 0.550 0.000 2.184 187 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.206 187 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.206 187 G C 0.729 175.873 174.900 0.407 0.000 0.995 187 G CA -0.383 44.971 45.100 0.423 0.000 0.651 187 G HN 0.660 nan 8.290 nan 0.000 0.511 188 G N 0.632 109.742 108.800 0.518 0.000 2.353 188 G HA2 0.527 4.486 3.960 -0.002 0.000 0.239 188 G HA3 0.527 4.486 3.960 -0.002 0.000 0.239 188 G C 0.031 175.064 174.900 0.223 0.000 1.295 188 G CA 1.055 46.382 45.100 0.377 0.000 0.884 188 G HN 0.959 nan 8.290 nan 0.000 0.537 189 D N 0.234 120.704 120.400 0.117 0.000 2.752 189 D HA 0.235 4.874 4.640 -0.002 0.000 0.313 189 D C 1.249 177.531 176.300 -0.031 0.000 1.225 189 D CA -0.931 53.099 54.000 0.049 0.000 0.976 189 D CB 0.461 41.359 40.800 0.164 0.000 1.443 189 D HN 0.174 nan 8.370 nan 0.000 0.515 190 L N -0.271 120.936 121.223 -0.027 0.000 2.156 190 L HA 0.019 4.358 4.340 -0.002 0.000 0.208 190 L C 2.351 179.230 176.870 0.015 0.000 1.095 190 L CA 1.449 56.268 54.840 -0.034 0.000 0.770 190 L CB -0.637 41.416 42.059 -0.010 0.000 0.914 190 L HN 0.616 nan 8.230 nan 0.000 0.439 191 A N 0.608 123.452 122.820 0.040 0.000 1.930 191 A HA -0.092 4.227 4.320 -0.002 0.000 0.217 191 A C 2.414 180.032 177.584 0.057 0.000 1.175 191 A CA 1.624 53.683 52.037 0.036 0.000 0.627 191 A CB -1.085 17.936 19.000 0.035 0.000 0.815 191 A HN 0.419 nan 8.150 nan 0.000 0.443 192 G N 0.146 109.014 108.800 0.114 0.000 2.421 192 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.216 192 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.216 192 G C 1.523 176.516 174.900 0.155 0.000 1.171 192 G CA 1.122 46.365 45.100 0.238 0.000 0.775 192 G HN 0.474 nan 8.290 nan 0.000 0.543 193 I N 0.674 121.359 120.570 0.191 0.000 2.208 193 I HA -0.179 3.990 4.170 -0.002 0.000 0.245 193 I C 2.487 178.657 176.117 0.089 0.000 1.097 193 I CA 1.487 62.921 61.300 0.223 0.000 1.363 193 I CB -0.209 37.834 38.000 0.070 0.000 1.051 193 I HN 0.194 nan 8.210 nan 0.000 0.413 194 D N 0.683 121.095 120.400 0.020 0.000 2.097 194 D HA -0.218 4.421 4.640 -0.002 0.000 0.195 194 D C 2.095 178.364 176.300 -0.052 0.000 0.989 194 D CA 1.458 55.445 54.000 -0.021 0.000 0.827 194 D CB 0.040 40.824 40.800 -0.026 0.000 0.966 194 D HN 0.457 nan 8.370 nan 0.000 0.456 195 Q N -0.413 119.336 119.800 -0.084 0.000 2.226 195 Q HA -0.082 4.257 4.340 -0.002 0.000 0.204 195 Q C 1.192 177.036 176.000 -0.261 0.000 0.975 195 Q CA 0.798 56.495 55.803 -0.176 0.000 0.866 195 Q CB 0.219 28.828 28.738 -0.216 0.000 0.915 195 Q HN 0.024 nan 8.270 nan 0.000 0.440 196 K N 0.457 120.721 120.400 -0.228 0.000 2.493 196 K HA 0.162 4.481 4.320 -0.002 0.000 0.207 196 K C 1.222 177.859 176.600 0.062 0.000 1.033 196 K CA 0.033 56.218 56.287 -0.170 0.000 1.161 196 K CB 0.430 32.786 32.500 -0.240 0.000 0.873 196 K HN 0.235 nan 8.250 nan 0.000 0.491 197 L N -0.380 120.845 121.223 0.002 0.000 2.201 197 L HA -0.082 4.258 4.340 -0.002 0.000 0.212 197 L C 2.107 178.964 176.870 -0.021 0.000 1.105 197 L CA 1.248 56.085 54.840 -0.005 0.000 0.775 197 L CB -0.371 41.666 42.059 -0.036 0.000 0.913 197 L HN 0.272 nan 8.230 nan 0.000 0.440 198 G N -0.928 107.861 108.800 -0.019 0.000 2.408 198 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.217 198 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.217 198 G C 1.442 176.352 174.900 0.015 0.000 1.150 198 G CA 0.497 45.586 45.100 -0.017 0.000 0.776 198 G HN 0.349 nan 8.290 nan 0.000 0.542 199 Y N 1.264 121.543 120.300 -0.036 0.000 2.163 199 Y HA 0.012 4.561 4.550 -0.002 0.000 0.288 199 Y C 2.474 178.362 175.900 -0.019 0.000 1.136 199 Y CA 1.121 59.234 58.100 0.023 0.000 1.147 199 Y CB -0.203 38.338 38.460 0.135 0.000 0.987 199 Y HN 0.178 nan 8.280 nan 0.000 0.509 200 I N 0.202 120.624 120.570 -0.245 0.000 2.163 200 I HA -0.286 3.883 4.170 -0.002 0.000 0.240 200 I C 2.211 178.136 176.117 -0.320 0.000 1.081 200 I CA 1.807 62.836 61.300 -0.452 0.000 1.353 200 I CB -0.363 37.453 38.000 -0.307 0.000 1.054 200 I HN 0.105 nan 8.210 nan 0.000 0.407 201 K N -0.020 120.275 120.400 -0.174 0.000 2.243 201 K HA -0.034 4.285 4.320 -0.002 0.000 0.201 201 K C 2.091 178.631 176.600 -0.099 0.000 1.051 201 K CA 0.659 56.877 56.287 -0.114 0.000 0.970 201 K CB 0.223 32.678 32.500 -0.076 0.000 0.755 201 K HN 0.122 nan 8.250 nan 0.000 0.465 202 K N -0.120 120.219 120.400 -0.101 0.000 2.216 202 K HA 0.090 4.409 4.320 -0.002 0.000 0.207 202 K C 2.150 178.703 176.600 -0.078 0.000 1.041 202 K CA 0.969 57.215 56.287 -0.069 0.000 0.966 202 K CB -0.018 32.457 32.500 -0.041 0.000 0.955 202 K HN -0.063 nan 8.250 nan 0.000 0.468 203 T N 2.925 117.423 114.554 -0.095 0.000 2.684 203 T HA -0.083 4.266 4.350 -0.002 0.000 0.267 203 T C 2.030 176.642 174.700 -0.146 0.000 1.036 203 T CA 1.239 63.293 62.100 -0.076 0.000 1.148 203 T CB -0.116 68.760 68.868 0.013 0.000 0.863 203 T HN 0.053 nan 8.240 nan 0.000 0.436 204 L N -0.564 120.477 121.223 -0.302 0.000 2.121 204 L HA 0.316 4.655 4.340 -0.002 0.000 0.200 204 L C 2.300 179.095 176.870 -0.126 0.000 1.077 204 L CA 1.001 55.700 54.840 -0.235 0.000 0.766 204 L CB -0.365 41.467 42.059 -0.380 0.000 0.931 204 L HN 0.549 nan 8.230 nan 0.000 0.452 205 G N -0.612 108.107 108.800 -0.136 0.000 2.205 205 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.180 205 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.180 205 G C 0.314 175.192 174.900 -0.037 0.000 1.004 205 G CA -0.167 44.893 45.100 -0.066 0.000 0.670 205 G HN 0.492 nan 8.290 nan 0.000 0.496 206 A N 0.453 123.239 122.820 -0.057 0.000 2.462 206 A HA 0.606 4.925 4.320 -0.002 0.000 0.243 206 A C 0.940 178.537 177.584 0.021 0.000 1.076 206 A CA 0.938 52.982 52.037 0.011 0.000 0.773 206 A CB 0.006 19.029 19.000 0.038 0.000 1.010 206 A HN 1.222 nan 8.150 nan 0.000 0.493 207 N N 0.502 119.254 118.700 0.086 0.000 2.170 207 N HA 0.311 5.050 4.740 -0.002 0.000 0.222 207 N C -0.717 174.906 175.510 0.189 0.000 1.218 207 N CA -0.283 52.833 53.050 0.109 0.000 0.889 207 N CB 0.328 38.898 38.487 0.139 0.000 1.083 207 N HN 0.487 nan 8.380 nan 0.000 0.520 208 I N 1.257 121.946 120.570 0.199 0.000 2.466 208 I HA 0.341 4.510 4.170 -0.002 0.000 0.289 208 I C -1.263 174.971 176.117 0.194 0.000 1.026 208 I CA -1.028 60.417 61.300 0.242 0.000 1.078 208 I CB 1.985 40.169 38.000 0.307 0.000 1.249 208 I HN -0.045 nan 8.210 nan 0.000 0.429 209 L N 6.931 128.244 121.223 0.150 0.000 2.307 209 L HA 0.418 4.757 4.340 -0.002 0.000 0.284 209 L C -0.874 176.082 176.870 0.143 0.000 1.023 209 L CA -0.540 54.369 54.840 0.116 0.000 0.810 209 L CB 1.172 43.243 42.059 0.021 0.000 1.231 209 L HN 0.378 nan 8.230 nan 0.000 0.423 210 Y N 4.494 124.785 120.300 -0.016 0.000 2.326 210 Y HA 0.681 5.230 4.550 -0.002 0.000 0.331 210 Y C -1.530 174.296 175.900 -0.122 0.000 0.962 210 Y CA -1.451 56.616 58.100 -0.055 0.000 1.167 210 Y CB 0.925 39.368 38.460 -0.028 0.000 1.148 210 Y HN 0.421 nan 8.280 nan 0.000 0.463 211 L N 5.913 126.905 121.223 -0.385 0.000 2.325 211 L HA 0.473 4.812 4.340 -0.002 0.000 0.278 211 L C 0.037 176.485 176.870 -0.704 0.000 1.023 211 L CA -0.946 53.546 54.840 -0.580 0.000 0.811 211 L CB 1.546 43.358 42.059 -0.411 0.000 1.249 211 L HN 0.671 nan 8.230 nan 0.000 0.431 212 N N 2.016 120.280 118.700 -0.728 0.000 2.288 212 N HA 0.168 4.907 4.740 -0.002 0.000 0.237 212 N C -2.491 172.672 175.510 -0.578 0.000 1.311 212 N CA -0.763 51.913 53.050 -0.624 0.000 0.909 212 N CB 0.044 38.172 38.487 -0.597 0.000 1.167 212 N HN 0.372 nan 8.380 nan 0.000 0.476 213 P HA -0.077 nan 4.420 nan 0.000 0.263 213 P C -0.080 176.966 177.300 -0.423 0.000 1.168 213 P CA 0.809 63.550 63.100 -0.598 0.000 0.759 213 P CB 0.147 31.408 31.700 -0.732 0.000 0.782 214 I N -1.924 118.340 120.570 -0.510 0.000 4.338 214 I HA 0.321 4.490 4.170 -0.002 0.000 0.329 214 I C -0.394 175.630 176.117 -0.154 0.000 1.378 214 I CA -0.259 60.932 61.300 -0.180 0.000 1.170 214 I CB 0.120 37.968 38.000 -0.254 0.000 1.206 214 I HN -0.091 nan 8.210 nan 0.000 0.432 215 F N 2.171 122.064 119.950 -0.094 0.000 2.370 215 F HA 0.476 5.002 4.527 -0.002 0.000 0.324 215 F C 0.977 176.655 175.800 -0.204 0.000 1.116 215 F CA -1.246 56.676 58.000 -0.129 0.000 1.123 215 F CB 0.392 39.310 39.000 -0.137 0.000 1.238 215 F HN -0.129 nan 8.300 nan 0.000 0.536 216 K N 1.582 121.982 120.400 0.001 0.000 2.511 216 K HA 0.347 4.666 4.320 -0.002 0.000 0.277 216 K C -0.910 175.570 176.600 -0.199 0.000 1.025 216 K CA 0.651 56.850 56.287 -0.147 0.000 1.112 216 K CB -0.397 31.999 32.500 -0.174 0.000 0.859 216 K HN 0.808 nan 8.250 nan 0.000 0.485 217 A N 5.667 128.350 122.820 -0.227 0.000 2.599 217 A HA 0.412 4.731 4.320 -0.002 0.000 0.294 217 A C -2.451 174.993 177.584 -0.232 0.000 1.055 217 A CA -0.997 50.904 52.037 -0.228 0.000 0.683 217 A CB 1.381 20.251 19.000 -0.217 0.000 1.278 217 A HN 0.579 nan 8.150 nan 0.000 0.412 218 P HA 0.004 nan 4.420 nan 0.000 0.224 218 P C 0.928 178.260 177.300 0.054 0.000 1.157 218 P CA 1.568 64.558 63.100 -0.183 0.000 0.799 218 P CB -0.197 31.250 31.700 -0.421 0.000 0.809 219 T N -1.312 113.147 114.554 -0.158 0.000 2.754 219 T HA 0.110 4.459 4.350 -0.002 0.000 0.286 219 T C 1.330 175.931 174.700 -0.165 0.000 0.997 219 T CA -0.371 61.613 62.100 -0.194 0.000 0.982 219 T CB 0.113 68.596 68.868 -0.643 0.000 1.027 219 T HN 0.191 nan 8.240 nan 0.000 0.529 220 N N -0.100 118.378 118.700 -0.371 0.000 2.446 220 N HA -0.123 4.616 4.740 -0.002 0.000 0.179 220 N C 1.667 177.119 175.510 -0.095 0.000 1.054 220 N CA 0.296 53.090 53.050 -0.427 0.000 0.905 220 N CB -0.388 37.676 38.487 -0.705 0.000 0.973 220 N HN 0.876 nan 8.380 nan 0.000 0.448 221 H N 0.474 119.575 119.070 0.053 0.000 2.553 221 H HA 0.233 4.788 4.556 -0.002 0.000 0.276 221 H C -0.002 175.229 175.328 -0.161 0.000 0.979 221 H CA 0.177 56.274 56.048 0.081 0.000 1.268 221 H CB 0.094 30.104 29.762 0.412 0.000 1.450 221 H HN -0.001 nan 8.280 nan 0.000 0.527 222 K N -0.063 120.115 120.400 -0.371 0.000 3.129 222 K HA -0.230 4.089 4.320 -0.002 0.000 0.273 222 K C -0.575 175.911 176.600 -0.190 0.000 1.123 222 K CA 0.747 56.857 56.287 -0.294 0.000 0.800 222 K CB -2.162 30.171 32.500 -0.278 0.000 1.238 222 K HN 0.424 nan 8.250 nan 0.000 0.492 223 Y N 1.069 121.516 120.300 0.244 0.000 2.490 223 Y HA -0.020 4.529 4.550 -0.002 0.000 0.281 223 Y C 1.098 177.098 175.900 0.165 0.000 1.174 223 Y CA 0.379 58.597 58.100 0.196 0.000 1.295 223 Y CB 0.399 38.982 38.460 0.205 0.000 1.062 223 Y HN 0.195 nan 8.280 nan 0.000 0.522 224 D N -0.483 120.029 120.400 0.186 0.000 2.736 224 D HA 0.062 4.702 4.640 -0.002 0.000 0.293 224 D C -0.310 175.992 176.300 0.004 0.000 1.241 224 D CA -0.291 53.794 54.000 0.141 0.000 0.965 224 D CB -0.238 40.625 40.800 0.104 0.000 0.992 224 D HN -0.106 nan 8.370 nan 0.000 0.510 225 T N 0.813 115.343 114.554 -0.041 0.000 2.891 225 T HA -0.085 4.264 4.350 -0.002 0.000 0.296 225 T C 0.981 175.584 174.700 -0.162 0.000 1.025 225 T CA 0.445 62.409 62.100 -0.227 0.000 1.149 225 T CB 1.792 70.299 68.868 -0.602 0.000 1.007 225 T HN 0.414 nan 8.240 nan 0.000 0.528 226 Q N 0.964 120.600 119.800 -0.274 0.000 2.391 226 Q HA 0.105 4.444 4.340 -0.002 0.000 0.243 226 Q C -0.307 175.226 176.000 -0.778 0.000 0.874 226 Q CA 0.170 55.752 55.803 -0.367 0.000 0.950 226 Q CB 0.783 29.357 28.738 -0.273 0.000 1.103 226 Q HN 0.674 nan 8.270 nan 0.000 0.544 227 D N -1.045 119.001 120.400 -0.590 0.000 2.452 227 D HA 0.094 4.733 4.640 -0.002 0.000 0.226 227 D C -0.817 175.253 176.300 -0.383 0.000 1.366 227 D CA -0.385 53.281 54.000 -0.558 0.000 0.986 227 D CB 0.365 40.904 40.800 -0.435 0.000 1.420 227 D HN 0.068 nan 8.370 nan 0.000 0.583 228 Y N 2.058 122.196 120.300 -0.269 0.000 2.516 228 Y HA 0.042 4.591 4.550 -0.002 0.000 0.291 228 Y C 1.917 177.453 175.900 -0.608 0.000 1.131 228 Y CA 0.443 58.274 58.100 -0.448 0.000 1.281 228 Y CB 0.130 38.486 38.460 -0.173 0.000 1.013 228 Y HN 0.393 nan 8.280 nan 0.000 0.554 229 M N -0.443 119.056 119.600 -0.168 0.000 2.563 229 M HA 0.333 4.812 4.480 -0.002 0.000 0.231 229 M C 0.228 176.499 176.300 -0.049 0.000 1.136 229 M CA 0.086 55.326 55.300 -0.100 0.000 1.026 229 M CB -1.013 31.541 32.600 -0.077 0.000 1.597 229 M HN 0.094 nan 8.290 nan 0.000 0.495 230 A N -0.075 122.717 122.820 -0.046 0.000 2.574 230 A HA 0.632 4.952 4.320 -0.002 0.000 0.297 230 A C -0.554 177.151 177.584 0.201 0.000 1.062 230 A CA -0.693 51.390 52.037 0.076 0.000 0.686 230 A CB 1.250 20.254 19.000 0.007 0.000 1.285 230 A HN -0.051 nan 8.150 nan 0.000 0.403 231 V N 2.284 122.340 119.914 0.238 0.000 2.740 231 V HA 0.080 4.199 4.120 -0.002 0.000 0.303 231 V C 0.770 176.918 176.094 0.090 0.000 1.054 231 V CA -0.146 62.289 62.300 0.226 0.000 1.106 231 V CB 1.066 33.007 31.823 0.196 0.000 0.957 231 V HN 0.917 nan 8.190 nan 0.000 0.486 232 D N 5.310 125.714 120.400 0.007 0.000 2.458 232 D HA 0.055 4.694 4.640 -0.002 0.000 0.243 232 D C -1.636 174.593 176.300 -0.118 0.000 1.146 232 D CA -1.265 52.639 54.000 -0.160 0.000 0.877 232 D CB 1.867 42.405 40.800 -0.436 0.000 1.176 232 D HN 0.248 nan 8.370 nan 0.000 0.461 233 P HA -0.159 nan 4.420 nan 0.000 0.217 233 P C 0.814 178.080 177.300 -0.056 0.000 1.148 233 P CA 1.451 64.514 63.100 -0.062 0.000 0.834 233 P CB 0.164 31.818 31.700 -0.076 0.000 0.783 234 A N -2.000 120.732 122.820 -0.147 0.000 2.067 234 A HA -0.087 4.232 4.320 -0.002 0.000 0.219 234 A C 1.875 179.541 177.584 0.137 0.000 1.158 234 A CA 1.056 53.037 52.037 -0.094 0.000 0.661 234 A CB -1.490 17.362 19.000 -0.246 0.000 0.801 234 A HN 0.209 nan 8.150 nan 0.000 0.452 235 F N -1.335 118.616 119.950 0.002 0.000 2.754 235 F HA 0.345 4.871 4.527 -0.002 0.000 0.297 235 F C 1.626 177.430 175.800 0.007 0.000 1.122 235 F CA 0.078 58.080 58.000 0.002 0.000 1.400 235 F CB 0.445 39.423 39.000 -0.037 0.000 1.117 235 F HN 0.491 nan 8.300 nan 0.000 0.587 236 G N 0.787 109.696 108.800 0.181 0.000 2.225 236 G HA2 0.026 3.985 3.960 -0.002 0.000 0.203 236 G HA3 0.026 3.985 3.960 -0.002 0.000 0.203 236 G C -2.126 172.830 174.900 0.094 0.000 1.335 236 G CA -0.288 44.881 45.100 0.114 0.000 1.183 236 G HN 0.166 nan 8.290 nan 0.000 0.488 237 D N -1.319 119.139 120.400 0.096 0.000 2.626 237 D HA 0.515 5.154 4.640 -0.002 0.000 0.278 237 D C 0.596 176.979 176.300 0.139 0.000 1.211 237 D CA -0.635 53.424 54.000 0.099 0.000 0.903 237 D CB 0.168 41.011 40.800 0.070 0.000 1.408 237 D HN 0.184 nan 8.370 nan 0.000 0.454 238 N N -0.459 118.341 118.700 0.168 0.000 2.205 238 N HA -0.102 4.637 4.740 -0.002 0.000 0.186 238 N C 1.394 177.047 175.510 0.238 0.000 1.015 238 N CA 1.284 54.496 53.050 0.269 0.000 0.862 238 N CB -0.242 38.428 38.487 0.304 0.000 0.986 238 N HN 0.360 nan 8.380 nan 0.000 0.429 239 S N -0.521 115.257 115.700 0.130 0.000 2.387 239 S HA -0.049 4.420 4.470 -0.002 0.000 0.226 239 S C 1.908 176.545 174.600 0.062 0.000 1.026 239 S CA 1.144 59.385 58.200 0.068 0.000 0.972 239 S CB -0.369 62.854 63.200 0.038 0.000 0.814 239 S HN 0.404 nan 8.310 nan 0.000 0.477 240 T N 2.737 117.335 114.554 0.073 0.000 2.788 240 T HA -0.047 4.302 4.350 -0.002 0.000 0.268 240 T C 1.744 176.482 174.700 0.065 0.000 1.044 240 T CA 0.998 63.132 62.100 0.056 0.000 1.139 240 T CB -0.381 68.524 68.868 0.061 0.000 0.867 240 T HN 0.197 nan 8.240 nan 0.000 0.454 241 L N 1.235 122.531 121.223 0.121 0.000 2.056 241 L HA -0.044 4.295 4.340 -0.002 0.000 0.207 241 L C 2.373 179.323 176.870 0.133 0.000 1.078 241 L CA 1.718 56.647 54.840 0.148 0.000 0.749 241 L CB -0.770 41.449 42.059 0.267 0.000 0.901 241 L HN 0.225 nan 8.230 nan 0.000 0.433 242 Q N -1.195 118.679 119.800 0.123 0.000 2.124 242 Q HA -0.176 4.163 4.340 -0.002 0.000 0.202 242 Q C 1.950 177.927 176.000 -0.039 0.000 0.977 242 Q CA 2.217 58.016 55.803 -0.006 0.000 0.850 242 Q CB -0.292 28.377 28.738 -0.115 0.000 0.901 242 Q HN 0.552 nan 8.270 nan 0.000 0.429 243 T N 1.339 115.880 114.554 -0.022 0.000 2.777 243 T HA -0.120 4.229 4.350 -0.002 0.000 0.266 243 T C 1.735 176.402 174.700 -0.054 0.000 1.040 243 T CA 0.932 63.009 62.100 -0.038 0.000 1.141 243 T CB -0.248 68.606 68.868 -0.023 0.000 0.868 243 T HN 0.141 nan 8.240 nan 0.000 0.444 244 L N 1.305 122.503 121.223 -0.043 0.000 2.012 244 L HA 0.010 4.349 4.340 -0.002 0.000 0.210 244 L C 2.128 178.923 176.870 -0.125 0.000 1.073 244 L CA 1.573 56.373 54.840 -0.066 0.000 0.748 244 L CB -0.703 41.326 42.059 -0.050 0.000 0.891 244 L HN 0.271 nan 8.230 nan 0.000 0.431 245 I N -0.148 120.335 120.570 -0.144 0.000 2.179 245 I HA -0.317 3.852 4.170 -0.002 0.000 0.242 245 I C 2.319 178.199 176.117 -0.396 0.000 1.088 245 I CA 1.713 62.830 61.300 -0.305 0.000 1.357 245 I CB -0.623 37.237 38.000 -0.233 0.000 1.051 245 I HN 0.459 nan 8.210 nan 0.000 0.409 246 N N 1.190 119.764 118.700 -0.210 0.000 2.104 246 N HA -0.229 4.510 4.740 -0.002 0.000 0.190 246 N C 1.459 176.903 175.510 -0.109 0.000 1.024 246 N CA 1.837 54.808 53.050 -0.132 0.000 0.853 246 N CB -0.084 38.356 38.487 -0.079 0.000 1.008 246 N HN 0.191 nan 8.380 nan 0.000 0.424 247 D N -0.162 120.173 120.400 -0.109 0.000 2.178 247 D HA -0.049 4.591 4.640 -0.002 0.000 0.202 247 D C 1.920 178.162 176.300 -0.097 0.000 0.974 247 D CA 0.629 54.578 54.000 -0.086 0.000 0.841 247 D CB -0.114 40.642 40.800 -0.073 0.000 0.953 247 D HN 0.439 nan 8.370 nan 0.000 0.478 248 I N 0.176 120.659 120.570 -0.145 0.000 2.252 248 I HA -0.222 3.947 4.170 -0.002 0.000 0.245 248 I C 1.966 178.025 176.117 -0.098 0.000 1.102 248 I CA 1.069 62.285 61.300 -0.140 0.000 1.385 248 I CB -0.249 37.636 38.000 -0.192 0.000 1.064 248 I HN 0.119 nan 8.210 nan 0.000 0.414 249 H N -0.705 118.253 119.070 -0.188 0.000 2.524 249 H HA 0.004 4.559 4.556 -0.002 0.000 0.282 249 H C 1.606 176.817 175.328 -0.195 0.000 1.016 249 H CA -0.111 55.789 56.048 -0.247 0.000 1.270 249 H CB 0.197 29.828 29.762 -0.217 0.000 1.394 249 H HN 0.185 nan 8.280 nan 0.000 0.568 250 S N 0.615 116.300 115.700 -0.025 0.000 2.576 250 S HA -0.035 4.434 4.470 -0.002 0.000 0.272 250 S C 1.522 176.084 174.600 -0.064 0.000 1.352 250 S CA 0.254 58.425 58.200 -0.048 0.000 1.021 250 S CB 0.753 63.924 63.200 -0.049 0.000 0.887 250 S HN 0.479 nan 8.310 nan 0.000 0.542 251 T N 0.473 114.991 114.554 -0.059 0.000 3.044 251 T HA 0.435 4.784 4.350 -0.002 0.000 0.260 251 T C 1.203 175.875 174.700 -0.046 0.000 1.019 251 T CA 0.209 62.275 62.100 -0.056 0.000 0.921 251 T CB 0.120 68.955 68.868 -0.055 0.000 1.053 251 T HN 0.598 nan 8.240 nan 0.000 0.533 252 A N 2.940 125.734 122.820 -0.045 0.000 2.123 252 A HA 0.161 4.480 4.320 -0.002 0.000 0.214 252 A C 1.715 179.275 177.584 -0.040 0.000 1.152 252 A CA 0.695 52.709 52.037 -0.040 0.000 0.728 252 A CB -0.618 18.359 19.000 -0.038 0.000 0.814 252 A HN 0.831 nan 8.150 nan 0.000 0.464 253 N N -1.775 116.898 118.700 -0.045 0.000 2.282 253 N HA 0.445 5.184 4.740 -0.002 0.000 0.240 253 N C 0.444 175.927 175.510 -0.046 0.000 1.182 253 N CA 0.201 53.224 53.050 -0.045 0.000 0.874 253 N CB 0.737 39.194 38.487 -0.049 0.000 1.126 253 N HN 0.424 nan 8.380 nan 0.000 0.516 254 G N 1.354 110.127 108.800 -0.044 0.000 2.334 254 G HA2 -0.028 3.932 3.960 -0.002 0.000 0.315 254 G HA3 -0.028 3.932 3.960 -0.002 0.000 0.315 254 G C -3.267 171.606 174.900 -0.045 0.000 1.284 254 G CA -1.029 44.044 45.100 -0.044 0.000 0.985 254 G HN 0.005 nan 8.290 nan 0.000 0.504 255 P HA 0.216 nan 4.420 nan 0.000 0.272 255 P C -0.395 176.867 177.300 -0.063 0.000 1.240 255 P CA -0.166 62.912 63.100 -0.038 0.000 0.791 255 P CB 0.696 32.387 31.700 -0.015 0.000 0.978 256 K N 0.766 121.113 120.400 -0.087 0.000 2.484 256 K HA 0.234 4.553 4.320 -0.002 0.000 0.280 256 K C 0.392 176.850 176.600 -0.236 0.000 1.013 256 K CA 0.113 56.295 56.287 -0.175 0.000 1.029 256 K CB -0.151 32.213 32.500 -0.228 0.000 0.902 256 K HN 0.649 nan 8.250 nan 0.000 0.481 257 G N 2.704 111.341 108.800 -0.271 0.000 2.552 257 G HA2 0.498 4.457 3.960 -0.002 0.000 0.324 257 G HA3 0.498 4.457 3.960 -0.002 0.000 0.324 257 G C -1.655 172.938 174.900 -0.512 0.000 1.217 257 G CA -0.608 44.348 45.100 -0.240 0.000 0.989 257 G HN 0.573 nan 8.290 nan 0.000 0.490 258 Y N -1.356 118.879 120.300 -0.108 0.000 2.477 258 Y HA 0.549 5.098 4.550 -0.002 0.000 0.347 258 Y C -0.465 175.363 175.900 -0.120 0.000 0.981 258 Y CA -0.845 57.109 58.100 -0.243 0.000 1.033 258 Y CB 2.617 40.627 38.460 -0.749 0.000 1.245 258 Y HN 0.474 nan 8.280 nan 0.000 0.455 259 L N 4.405 125.651 121.223 0.038 0.000 2.333 259 L HA 0.674 5.014 4.340 -0.002 0.000 0.280 259 L C -1.362 175.519 176.870 0.018 0.000 1.004 259 L CA -0.577 54.263 54.840 0.001 0.000 0.820 259 L CB 0.861 42.866 42.059 -0.090 0.000 1.247 259 L HN 0.545 nan 8.230 nan 0.000 0.416 260 I N 6.117 126.721 120.570 0.057 0.000 2.389 260 I HA 0.366 4.535 4.170 -0.002 0.000 0.288 260 I C -0.567 175.566 176.117 0.026 0.000 0.999 260 I CA -0.531 60.803 61.300 0.057 0.000 1.129 260 I CB 1.535 39.618 38.000 0.140 0.000 1.288 260 I HN 0.475 nan 8.210 nan 0.000 0.444 261 L N 4.535 125.670 121.223 -0.146 0.000 2.375 261 L HA 0.430 4.769 4.340 -0.002 0.000 0.268 261 L C 0.028 176.952 176.870 0.089 0.000 1.058 261 L CA -0.713 54.022 54.840 -0.174 0.000 0.803 261 L CB 1.223 42.982 42.059 -0.500 0.000 1.212 261 L HN 0.510 nan 8.230 nan 0.000 0.451 262 D N 1.106 121.540 120.400 0.056 0.000 2.316 262 D HA 0.235 4.874 4.640 -0.002 0.000 0.245 262 D C -0.168 176.223 176.300 0.152 0.000 1.171 262 D CA -0.039 54.043 54.000 0.137 0.000 0.856 262 D CB 1.689 42.481 40.800 -0.013 0.000 1.090 262 D HN 0.627 nan 8.370 nan 0.000 0.476 263 G N 2.761 111.620 108.800 0.098 0.000 2.428 263 G HA2 0.376 4.335 3.960 -0.002 0.000 0.320 263 G HA3 0.376 4.335 3.960 -0.002 0.000 0.320 263 G C -0.050 174.268 174.900 -0.970 0.000 1.098 263 G CA -0.485 44.235 45.100 -0.635 0.000 0.984 263 G HN 0.361 nan 8.290 nan 0.000 0.444 264 V N 3.925 123.450 119.914 -0.648 0.000 2.174 264 V HA 0.196 4.316 4.120 -0.002 0.000 0.259 264 V C 0.014 176.013 176.094 -0.158 0.000 1.261 264 V CA -0.425 61.709 62.300 -0.276 0.000 1.137 264 V CB -0.583 31.235 31.823 -0.008 0.000 1.290 264 V HN 0.659 nan 8.190 nan 0.000 0.486 265 F N 0.615 120.621 119.950 0.093 0.000 2.695 265 F HA 0.203 4.729 4.527 -0.002 0.000 0.303 265 F C 1.938 177.844 175.800 0.178 0.000 1.091 265 F CA -0.332 57.728 58.000 0.100 0.000 1.300 265 F CB -0.433 38.603 39.000 0.061 0.000 1.071 265 F HN 0.438 nan 8.300 nan 0.000 0.578 266 N N 0.202 119.030 118.700 0.213 0.000 2.354 266 N HA -0.099 4.640 4.740 -0.002 0.000 0.179 266 N C 0.109 175.844 175.510 0.375 0.000 1.021 266 N CA 0.815 54.058 53.050 0.321 0.000 0.887 266 N CB 0.206 38.946 38.487 0.422 0.000 0.974 266 N HN 0.387 nan 8.380 nan 0.000 0.437 267 H N -2.507 116.765 119.070 0.337 0.000 2.948 267 H HA 0.293 4.848 4.556 -0.001 0.000 0.315 267 H C -0.994 174.525 175.328 0.318 0.000 1.360 267 H CA -0.642 55.587 56.048 0.303 0.000 1.125 267 H CB 1.098 31.020 29.762 0.268 0.000 1.844 267 H HN -0.002 nan 8.280 nan 0.000 0.529 268 T N -1.849 112.966 114.554 0.435 0.000 2.858 268 T HA 0.623 4.972 4.350 -0.002 0.000 0.285 268 T C 0.484 175.340 174.700 0.260 0.000 1.052 268 T CA -0.377 61.913 62.100 0.318 0.000 1.009 268 T CB 1.727 70.763 68.868 0.279 0.000 1.241 268 T HN 0.879 nan 8.240 nan 0.000 0.542 269 G N -0.005 108.902 108.800 0.178 0.000 2.537 269 G HA2 0.409 4.368 3.960 -0.002 0.000 0.273 269 G HA3 0.409 4.368 3.960 -0.002 0.000 0.273 269 G C 0.447 175.410 174.900 0.105 0.000 1.189 269 G CA -0.324 44.865 45.100 0.149 0.000 0.881 269 G HN 0.846 nan 8.290 nan 0.000 0.535 270 D N -1.370 119.111 120.400 0.134 0.000 2.363 270 D HA -0.118 4.521 4.640 -0.002 0.000 0.220 270 D C 1.963 178.467 176.300 0.339 0.000 0.994 270 D CA 0.932 54.979 54.000 0.078 0.000 0.890 270 D CB -0.063 40.813 40.800 0.128 0.000 0.906 270 D HN 0.307 nan 8.370 nan 0.000 0.530 271 S N -1.462 114.464 115.700 0.376 0.000 2.577 271 S HA 0.017 4.486 4.470 -0.002 0.000 0.219 271 S C 0.482 175.257 174.600 0.292 0.000 0.962 271 S CA -0.681 57.770 58.200 0.419 0.000 0.921 271 S CB -0.921 62.513 63.200 0.390 0.000 0.789 271 S HN 0.430 nan 8.310 nan 0.000 0.497 272 H N 2.643 121.776 119.070 0.105 0.000 2.848 272 H HA 0.221 4.776 4.556 -0.002 0.000 0.341 272 H C -1.792 173.487 175.328 -0.082 0.000 1.060 272 H CA -1.255 54.742 56.048 -0.085 0.000 1.444 272 H CB 0.852 30.581 29.762 -0.055 0.000 1.446 272 H HN -0.039 nan 8.280 nan 0.000 0.583 273 P HA -0.259 nan 4.420 nan 0.000 0.217 273 P C 0.782 178.123 177.300 0.069 0.000 1.148 273 P CA 1.312 64.223 63.100 -0.315 0.000 0.834 273 P CB 0.076 31.338 31.700 -0.729 0.000 0.783 274 W N -2.164 119.230 121.300 0.156 0.000 2.374 274 W HA -0.017 4.641 4.660 -0.002 0.000 0.288 274 W C 2.206 178.974 176.519 0.414 0.000 1.218 274 W CA 0.541 57.924 57.345 0.063 0.000 1.245 274 W CB -1.552 27.969 29.460 0.102 0.000 1.126 274 W HN 0.000 nan 8.180 nan 0.000 0.545 275 F N 0.530 120.717 119.950 0.396 0.000 2.298 275 F HA 0.026 4.552 4.527 -0.002 0.000 0.282 275 F C 0.673 176.594 175.800 0.200 0.000 1.045 275 F CA 1.281 59.353 58.000 0.120 0.000 1.280 275 F CB -0.441 38.441 39.000 -0.196 0.000 1.114 275 F HN -0.306 nan 8.300 nan 0.000 0.546 276 D N 1.131 121.756 120.400 0.375 0.000 2.803 276 D HA -0.270 4.369 4.640 -0.002 0.000 0.233 276 D C 1.094 177.451 176.300 0.095 0.000 1.182 276 D CA 0.823 55.007 54.000 0.306 0.000 0.726 276 D CB -0.862 40.159 40.800 0.367 0.000 0.987 276 D HN 0.503 nan 8.370 nan 0.000 0.412 277 K N -0.129 120.197 120.400 -0.123 0.000 2.147 277 K HA -0.166 4.154 4.320 -0.002 0.000 0.205 277 K C 1.157 177.364 176.600 -0.655 0.000 1.049 277 K CA 1.115 56.927 56.287 -0.792 0.000 0.936 277 K CB -0.061 31.796 32.500 -1.072 0.000 0.722 277 K HN 0.485 nan 8.250 nan 0.000 0.446 278 Y N 0.508 120.808 120.300 0.000 0.000 2.571 278 Y HA 0.177 4.726 4.550 -0.002 0.000 0.275 278 Y C -0.030 175.892 175.900 0.037 0.000 1.179 278 Y CA -0.434 57.677 58.100 0.019 0.000 1.242 278 Y CB -0.220 38.258 38.460 0.029 0.000 1.126 278 Y HN 0.146 nan 8.280 nan 0.000 0.524 279 N N 1.609 120.398 118.700 0.148 0.000 2.688 279 N HA -0.248 4.491 4.740 -0.002 0.000 0.258 279 N C -0.114 175.427 175.510 0.051 0.000 1.016 279 N CA 0.641 53.767 53.050 0.128 0.000 0.747 279 N CB -1.027 37.524 38.487 0.106 0.000 0.895 279 N HN 0.367 nan 8.380 nan 0.000 0.543 280 N N -0.454 118.239 118.700 -0.011 0.000 2.254 280 N HA 0.162 4.901 4.740 -0.002 0.000 0.190 280 N C -0.617 174.410 175.510 -0.804 0.000 1.107 280 N CA 0.555 53.357 53.050 -0.413 0.000 0.869 280 N CB 0.268 38.400 38.487 -0.592 0.000 0.983 280 N HN 0.319 nan 8.380 nan 0.000 0.487 281 F N -0.792 119.206 119.950 0.080 0.000 2.588 281 F HA 0.310 4.836 4.527 -0.002 0.000 0.314 281 F C 1.603 177.464 175.800 0.101 0.000 1.069 281 F CA -0.928 57.115 58.000 0.071 0.000 0.931 281 F CB 1.211 40.242 39.000 0.052 0.000 1.260 281 F HN -0.298 nan 8.300 nan 0.000 0.465 282 S N 1.323 117.189 115.700 0.277 0.000 2.456 282 S HA -0.175 4.294 4.470 -0.002 0.000 0.232 282 S C 0.952 175.697 174.600 0.241 0.000 1.046 282 S CA 1.678 60.003 58.200 0.208 0.000 1.175 282 S CB -0.795 62.515 63.200 0.183 0.000 1.129 282 S HN 0.813 nan 8.310 nan 0.000 0.420 283 S N 1.485 117.365 115.700 0.300 0.000 2.536 283 S HA -0.032 4.437 4.470 -0.002 0.000 0.290 283 S C -0.205 174.621 174.600 0.376 0.000 1.302 283 S CA -0.071 58.354 58.200 0.376 0.000 1.037 283 S CB -0.199 63.392 63.200 0.652 0.000 0.804 283 S HN 0.647 nan 8.310 nan 0.000 0.506 284 Q N 1.746 121.731 119.800 0.309 0.000 2.389 284 Q HA 0.403 4.742 4.340 -0.002 0.000 0.244 284 Q C 0.849 177.076 176.000 0.378 0.000 1.056 284 Q CA -0.250 55.711 55.803 0.263 0.000 0.908 284 Q CB 0.778 29.598 28.738 0.137 0.000 1.273 284 Q HN 0.858 nan 8.270 nan 0.000 0.471 285 G N 1.117 110.173 108.800 0.427 0.000 2.667 285 G HA2 0.198 4.158 3.960 -0.002 0.000 0.250 285 G HA3 0.198 4.158 3.960 -0.002 0.000 0.250 285 G C 0.927 176.051 174.900 0.372 0.000 1.212 285 G CA 0.069 45.462 45.100 0.488 0.000 0.874 285 G HN 0.706 nan 8.290 nan 0.000 0.561 286 A N 0.223 123.279 122.820 0.393 0.000 1.948 286 A HA -0.188 4.131 4.320 -0.002 0.000 0.220 286 A C 2.053 179.808 177.584 0.285 0.000 1.177 286 A CA 2.086 54.340 52.037 0.362 0.000 0.636 286 A CB -0.751 18.520 19.000 0.451 0.000 0.815 286 A HN 0.855 nan 8.150 nan 0.000 0.449 287 Y N 0.477 120.629 120.300 -0.246 0.000 2.352 287 Y HA -0.111 4.438 4.550 -0.002 0.000 0.292 287 Y C 2.125 177.950 175.900 -0.125 0.000 1.136 287 Y CA 2.036 59.885 58.100 -0.417 0.000 1.227 287 Y CB -0.016 37.874 38.460 -0.949 0.000 0.991 287 Y HN 0.487 nan 8.280 nan 0.000 0.545 288 E N -0.968 119.340 120.200 0.179 0.000 2.190 288 E HA 0.038 4.387 4.350 -0.002 0.000 0.191 288 E C 0.204 177.007 176.600 0.339 0.000 0.978 288 E CA 0.627 57.142 56.400 0.191 0.000 0.839 288 E CB 0.367 30.194 29.700 0.212 0.000 0.787 288 E HN 0.084 nan 8.360 nan 0.000 0.473 289 S N -0.465 115.461 115.700 0.376 0.000 2.572 289 S HA 0.105 4.574 4.470 -0.002 0.000 0.274 289 S C 0.045 174.558 174.600 -0.144 0.000 1.150 289 S CA -0.642 57.658 58.200 0.168 0.000 0.944 289 S CB 1.376 64.608 63.200 0.053 0.000 1.071 289 S HN 0.023 nan 8.310 nan 0.000 0.479 290 Q N 2.109 121.457 119.800 -0.753 0.000 2.437 290 Q HA -0.016 4.323 4.340 -0.002 0.000 0.210 290 Q C 1.164 176.714 176.000 -0.750 0.000 0.972 290 Q CA 0.917 55.997 55.803 -1.205 0.000 0.903 290 Q CB -0.036 27.846 28.738 -1.426 0.000 0.967 290 Q HN 0.545 nan 8.270 nan 0.000 0.486 291 S N 0.345 115.793 115.700 -0.420 0.000 2.622 291 S HA 0.078 4.547 4.470 -0.002 0.000 0.236 291 S C 0.218 174.693 174.600 -0.207 0.000 0.956 291 S CA -0.488 57.537 58.200 -0.291 0.000 0.971 291 S CB 0.140 63.206 63.200 -0.224 0.000 0.782 291 S HN 0.215 nan 8.310 nan 0.000 0.468 292 S N 1.783 117.401 115.700 -0.136 0.000 2.564 292 S HA 0.298 4.768 4.470 -0.002 0.000 0.278 292 S C -1.651 172.759 174.600 -0.317 0.000 1.333 292 S CA -1.149 56.978 58.200 -0.121 0.000 1.048 292 S CB 0.802 64.079 63.200 0.127 0.000 0.900 292 S HN 0.246 nan 8.310 nan 0.000 0.505 293 P HA 0.011 nan 4.420 nan 0.000 0.225 293 P C 0.129 176.811 177.300 -1.030 0.000 1.148 293 P CA 0.910 63.437 63.100 -0.956 0.000 0.779 293 P CB 0.098 30.958 31.700 -1.400 0.000 0.780 294 W N -3.175 117.938 121.300 -0.312 0.000 2.926 294 W HA 0.312 4.971 4.660 -0.002 0.000 0.419 294 W C 1.045 177.381 176.519 -0.304 0.000 0.993 294 W CA -0.681 56.177 57.345 -0.812 0.000 2.025 294 W CB -1.114 27.735 29.460 -1.019 0.000 1.152 294 W HN 0.040 nan 8.180 nan 0.000 0.659 295 Y N 3.548 123.821 120.300 -0.044 0.000 2.165 295 Y HA -0.319 4.230 4.550 -0.002 0.000 0.286 295 Y C 2.234 178.276 175.900 0.236 0.000 1.155 295 Y CA 2.531 60.707 58.100 0.128 0.000 1.164 295 Y CB -0.224 38.208 38.460 -0.046 0.000 0.978 295 Y HN -0.064 nan 8.280 nan 0.000 0.513 296 N N -1.047 117.792 118.700 0.230 0.000 2.520 296 N HA -0.234 4.505 4.740 -0.002 0.000 0.185 296 N C 1.404 177.028 175.510 0.191 0.000 1.068 296 N CA 1.298 54.474 53.050 0.209 0.000 0.911 296 N CB -1.333 37.260 38.487 0.177 0.000 0.961 296 N HN 0.572 nan 8.380 nan 0.000 0.446 297 Y N -0.494 119.731 120.300 -0.125 0.000 2.497 297 Y HA -0.048 4.501 4.550 -0.002 0.000 0.292 297 Y C 0.399 175.970 175.900 -0.548 0.000 1.137 297 Y CA 0.181 58.030 58.100 -0.420 0.000 1.285 297 Y CB 0.066 38.142 38.460 -0.641 0.000 0.991 297 Y HN -0.032 nan 8.280 nan 0.000 0.556 298 Y N -1.318 119.044 120.300 0.103 0.000 2.686 298 Y HA 0.409 4.958 4.550 -0.002 0.000 0.330 298 Y C -0.021 175.835 175.900 -0.074 0.000 1.082 298 Y CA -1.397 56.699 58.100 -0.006 0.000 1.158 298 Y CB 1.396 39.832 38.460 -0.040 0.000 1.333 298 Y HN -0.477 nan 8.280 nan 0.000 0.519 299 T N 2.120 116.672 114.554 -0.002 0.000 2.864 299 T HA 0.482 4.831 4.350 -0.002 0.000 0.299 299 T C -1.304 173.220 174.700 -0.294 0.000 1.011 299 T CA -0.547 61.502 62.100 -0.085 0.000 0.975 299 T CB -0.269 68.539 68.868 -0.100 0.000 0.962 299 T HN 0.196 nan 8.240 nan 0.000 0.448 300 F N 1.559 121.487 119.950 -0.037 0.000 2.425 300 F HA 0.474 5.000 4.527 -0.002 0.000 0.331 300 F C 0.578 176.322 175.800 -0.093 0.000 1.085 300 F CA -0.859 57.172 58.000 0.052 0.000 1.028 300 F CB 1.029 40.215 39.000 0.311 0.000 1.177 300 F HN 0.549 nan 8.300 nan 0.000 0.487 301 Y N -0.613 119.934 120.300 0.411 0.000 2.558 301 Y HA 0.205 4.754 4.550 -0.002 0.000 0.273 301 Y C 0.581 176.643 175.900 0.271 0.000 1.100 301 Y CA -0.023 58.239 58.100 0.271 0.000 1.276 301 Y CB 0.362 38.928 38.460 0.177 0.000 1.196 301 Y HN 0.357 nan 8.280 nan 0.000 0.527 302 T N -0.056 114.772 114.554 0.455 0.000 3.262 302 T HA 0.058 4.407 4.350 -0.002 0.000 0.336 302 T C -1.358 173.573 174.700 0.385 0.000 0.911 302 T CA -0.592 61.716 62.100 0.348 0.000 1.154 302 T CB -0.022 68.990 68.868 0.240 0.000 1.007 302 T HN 0.173 nan 8.240 nan 0.000 0.488 303 W N 6.420 127.833 121.300 0.188 0.000 2.257 303 W HA 0.314 4.973 4.660 -0.002 0.000 0.337 303 W C -1.448 175.045 176.519 -0.043 0.000 1.321 303 W CA -0.850 56.501 57.345 0.009 0.000 1.267 303 W CB 0.911 30.242 29.460 -0.215 0.000 1.187 303 W HN 0.385 nan 8.180 nan 0.000 0.565 304 P HA 0.020 nan 4.420 nan 0.000 0.260 304 P C 0.521 177.787 177.300 -0.056 0.000 1.222 304 P CA 0.616 62.993 63.100 -1.205 0.000 0.843 304 P CB 0.683 30.922 31.700 -2.434 0.000 1.159 305 D N 0.238 120.650 120.400 0.021 0.000 2.336 305 D HA 0.047 4.686 4.640 -0.002 0.000 0.229 305 D C -0.118 176.354 176.300 0.287 0.000 1.061 305 D CA 0.519 54.735 54.000 0.360 0.000 0.875 305 D CB 0.010 40.931 40.800 0.202 0.000 0.904 305 D HN 0.020 nan 8.370 nan 0.000 0.525 306 S N 0.254 116.158 115.700 0.341 0.000 2.707 306 S HA 0.499 4.968 4.470 -0.002 0.000 0.312 306 S C -1.225 173.570 174.600 0.326 0.000 1.116 306 S CA -0.772 57.537 58.200 0.182 0.000 1.078 306 S CB -0.078 63.258 63.200 0.227 0.000 0.997 306 S HN 0.146 nan 8.310 nan 0.000 0.477 307 Y N 1.419 121.859 120.300 0.232 0.000 2.625 307 Y HA 0.837 5.386 4.550 -0.002 0.000 0.338 307 Y C -0.189 175.757 175.900 0.077 0.000 1.123 307 Y CA -1.533 56.551 58.100 -0.026 0.000 1.046 307 Y CB 0.467 38.745 38.460 -0.304 0.000 1.299 307 Y HN 0.578 nan 8.280 nan 0.000 0.464 308 A N 1.643 124.531 122.820 0.113 0.000 2.483 308 A HA 0.602 4.921 4.320 -0.002 0.000 0.238 308 A C 0.254 178.013 177.584 0.292 0.000 1.070 308 A CA 0.654 52.850 52.037 0.265 0.000 0.770 308 A CB -0.474 18.631 19.000 0.174 0.000 1.008 308 A HN 1.425 nan 8.150 nan 0.000 0.497 309 S N 0.710 116.553 115.700 0.237 0.000 2.752 309 S HA 0.621 5.090 4.470 -0.002 0.000 0.284 309 S C -0.724 173.983 174.600 0.177 0.000 1.189 309 S CA -0.625 57.716 58.200 0.236 0.000 0.835 309 S CB 0.542 63.867 63.200 0.209 0.000 1.192 309 S HN 1.241 nan 8.310 nan 0.000 0.506 310 F N 2.926 122.876 119.950 0.001 0.000 2.438 310 F HA 0.495 5.021 4.527 -0.001 0.000 0.360 310 F C 0.870 176.684 175.800 0.024 0.000 1.118 310 F CA -0.619 57.321 58.000 -0.101 0.000 1.164 310 F CB -0.379 38.387 39.000 -0.390 0.000 1.131 310 F HN 0.638 nan 8.300 nan 0.000 0.527 311 L N 6.597 127.445 121.223 -0.624 0.000 3.851 311 L HA -0.332 4.007 4.340 -0.002 0.000 0.438 311 L C 1.246 177.909 176.870 -0.345 0.000 1.171 311 L CA 0.790 55.322 54.840 -0.512 0.000 0.895 311 L CB -2.105 39.547 42.059 -0.679 0.000 1.800 311 L HN 1.159 nan 8.230 nan 0.000 0.960 312 G N -1.934 106.742 108.800 -0.206 0.000 2.179 312 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.260 312 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.260 312 G C 0.046 174.812 174.900 -0.224 0.000 0.977 312 G CA 0.152 45.118 45.100 -0.224 0.000 0.641 312 G HN 0.300 nan 8.290 nan 0.000 0.533 313 F N 1.980 121.935 119.950 0.008 0.000 2.462 313 F HA 0.302 4.828 4.527 -0.001 0.000 0.360 313 F C 1.591 177.453 175.800 0.104 0.000 1.134 313 F CA 0.146 58.192 58.000 0.077 0.000 1.148 313 F CB 0.186 39.272 39.000 0.142 0.000 1.147 313 F HN 0.124 nan 8.300 nan 0.000 0.550 314 N N 0.974 119.810 118.700 0.227 0.000 2.137 314 N HA -0.221 4.518 4.740 -0.002 0.000 0.190 314 N C 1.778 177.495 175.510 0.344 0.000 1.017 314 N CA 1.382 54.568 53.050 0.226 0.000 0.859 314 N CB -0.004 38.586 38.487 0.171 0.000 1.002 314 N HN 0.551 nan 8.380 nan 0.000 0.428 315 S N 0.132 116.038 115.700 0.343 0.000 2.607 315 S HA 0.064 4.533 4.470 -0.002 0.000 0.224 315 S C 0.707 175.457 174.600 0.250 0.000 0.969 315 S CA 0.292 58.698 58.200 0.344 0.000 0.927 315 S CB -0.092 63.380 63.200 0.454 0.000 0.772 315 S HN 0.200 nan 8.310 nan 0.000 0.533 316 L N 2.749 124.115 121.223 0.237 0.000 2.825 316 L HA 0.403 4.742 4.340 -0.002 0.000 0.236 316 L C -2.662 174.307 176.870 0.166 0.000 1.301 316 L CA -2.157 52.776 54.840 0.154 0.000 0.977 316 L CB 0.664 42.720 42.059 -0.005 0.000 1.300 316 L HN -0.009 nan 8.230 nan 0.000 0.486 317 P HA -0.061 nan 4.420 nan 0.000 0.264 317 P C -0.516 176.946 177.300 0.271 0.000 1.193 317 P CA 0.123 63.188 63.100 -0.058 0.000 0.763 317 P CB 0.987 32.015 31.700 -1.120 0.000 0.810 318 K N 3.809 124.405 120.400 0.326 0.000 2.276 318 K HA 0.251 4.570 4.320 -0.002 0.000 0.283 318 K C 0.052 176.814 176.600 0.271 0.000 1.044 318 K CA -0.623 55.876 56.287 0.353 0.000 0.944 318 K CB 0.217 32.903 32.500 0.310 0.000 1.012 318 K HN 0.473 nan 8.250 nan 0.000 0.472 319 L N 3.795 125.140 121.223 0.204 0.000 2.410 319 L HA 0.057 4.396 4.340 -0.002 0.000 0.273 319 L C 0.303 177.177 176.870 0.006 0.000 1.152 319 L CA -0.360 54.445 54.840 -0.058 0.000 0.855 319 L CB 0.429 42.434 42.059 -0.090 0.000 1.129 319 L HN 0.638 nan 8.230 nan 0.000 0.463 320 N N 2.246 120.860 118.700 -0.143 0.000 2.469 320 N HA 0.071 4.810 4.740 -0.002 0.000 0.239 320 N C 0.160 175.575 175.510 -0.159 0.000 1.053 320 N CA -0.027 52.997 53.050 -0.043 0.000 0.937 320 N CB 0.375 38.846 38.487 -0.026 0.000 1.163 320 N HN 0.344 nan 8.380 nan 0.000 0.509 321 Y N 2.995 123.236 120.300 -0.098 0.000 2.578 321 Y HA 0.131 4.680 4.550 -0.002 0.000 0.297 321 Y C 2.002 177.840 175.900 -0.103 0.000 1.176 321 Y CA 0.639 58.659 58.100 -0.133 0.000 1.315 321 Y CB -0.214 38.179 38.460 -0.111 0.000 1.031 321 Y HN 0.792 nan 8.280 nan 0.000 0.524 322 G N 1.027 109.853 108.800 0.042 0.000 2.602 322 G HA2 -0.392 3.567 3.960 -0.002 0.000 0.306 322 G HA3 -0.392 3.567 3.960 -0.002 0.000 0.306 322 G C -0.209 174.718 174.900 0.045 0.000 1.301 322 G CA 0.574 45.690 45.100 0.028 0.000 0.974 322 G HN 0.467 nan 8.290 nan 0.000 0.547 323 N N -0.591 118.124 118.700 0.024 0.000 2.563 323 N HA 0.584 5.323 4.740 -0.002 0.000 0.288 323 N C -0.038 175.485 175.510 0.022 0.000 1.246 323 N CA -0.151 52.917 53.050 0.031 0.000 0.946 323 N CB 1.180 39.683 38.487 0.026 0.000 1.213 323 N HN 0.632 nan 8.380 nan 0.000 0.578 324 S N -0.245 115.476 115.700 0.034 0.000 2.561 324 S HA 0.254 4.723 4.470 -0.002 0.000 0.294 324 S C 1.326 175.928 174.600 0.003 0.000 1.294 324 S CA 0.988 59.210 58.200 0.036 0.000 1.055 324 S CB -0.031 63.197 63.200 0.045 0.000 0.819 324 S HN 0.896 nan 8.310 nan 0.000 0.503 325 G N 1.920 110.710 108.800 -0.017 0.000 2.179 325 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.260 325 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.260 325 G C 0.277 175.130 174.900 -0.078 0.000 0.977 325 G CA 0.308 45.382 45.100 -0.043 0.000 0.641 325 G HN 1.250 nan 8.290 nan 0.000 0.533 326 S N -0.227 115.414 115.700 -0.100 0.000 2.589 326 S HA 0.658 5.127 4.470 -0.002 0.000 0.265 326 S C 1.829 176.299 174.600 -0.216 0.000 1.342 326 S CA 0.530 58.650 58.200 -0.134 0.000 1.005 326 S CB 1.573 64.690 63.200 -0.139 0.000 0.909 326 S HN 1.703 nan 8.310 nan 0.000 0.555 327 A N 1.162 123.849 122.820 -0.222 0.000 1.930 327 A HA 0.039 4.358 4.320 -0.002 0.000 0.217 327 A C 2.133 179.368 177.584 -0.582 0.000 1.175 327 A CA 1.427 53.294 52.037 -0.283 0.000 0.627 327 A CB -1.148 17.787 19.000 -0.109 0.000 0.815 327 A HN 0.773 nan 8.150 nan 0.000 0.443 328 V N 0.032 119.498 119.914 -0.747 0.000 2.379 328 V HA -0.217 3.902 4.120 -0.002 0.000 0.245 328 V C 2.562 178.180 176.094 -0.794 0.000 1.044 328 V CA 2.026 63.733 62.300 -0.988 0.000 1.036 328 V CB -0.750 30.431 31.823 -1.069 0.000 0.664 328 V HN 0.531 nan 8.190 nan 0.000 0.453 329 R N 0.144 120.265 120.500 -0.632 0.000 2.148 329 R HA -0.065 4.274 4.340 -0.002 0.000 0.227 329 R C 2.382 178.215 176.300 -0.779 0.000 1.103 329 R CA 1.232 56.872 56.100 -0.766 0.000 0.983 329 R CB -0.627 29.351 30.300 -0.538 0.000 0.874 329 R HN 0.590 nan 8.270 nan 0.000 0.451 330 G N 1.000 109.505 108.800 -0.492 0.000 2.414 330 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.215 330 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.215 330 G C 1.533 176.260 174.900 -0.289 0.000 1.188 330 G CA 0.995 45.896 45.100 -0.331 0.000 0.783 330 G HN 0.269 nan 8.290 nan 0.000 0.537 331 V N -0.660 119.067 119.914 -0.311 0.000 2.490 331 V HA -0.068 4.051 4.120 -0.002 0.000 0.250 331 V C 2.500 178.468 176.094 -0.210 0.000 1.061 331 V CA 1.170 63.358 62.300 -0.186 0.000 1.064 331 V CB -0.475 31.260 31.823 -0.146 0.000 0.670 331 V HN 0.234 nan 8.190 nan 0.000 0.461 332 I N 0.565 120.922 120.570 -0.355 0.000 2.339 332 I HA 0.039 4.209 4.170 -0.002 0.000 0.245 332 I C 2.310 178.305 176.117 -0.203 0.000 1.096 332 I CA 2.243 63.329 61.300 -0.357 0.000 1.408 332 I CB -0.790 37.000 38.000 -0.350 0.000 1.092 332 I HN 0.710 nan 8.210 nan 0.000 0.423 333 Y N -2.575 117.634 120.300 -0.151 0.000 2.729 333 Y HA 0.413 4.962 4.550 -0.002 0.000 0.266 333 Y C 1.353 177.209 175.900 -0.073 0.000 1.064 333 Y CA -0.366 57.667 58.100 -0.112 0.000 1.251 333 Y CB -0.678 37.756 38.460 -0.043 0.000 1.379 333 Y HN -0.141 nan 8.280 nan 0.000 0.569 334 N N 0.762 119.359 118.700 -0.172 0.000 2.439 334 N HA 0.044 4.783 4.740 -0.002 0.000 0.176 334 N C -0.265 175.224 175.510 -0.036 0.000 1.029 334 N CA 0.435 53.452 53.050 -0.055 0.000 0.886 334 N CB -0.047 38.354 38.487 -0.144 0.000 1.057 334 N HN 0.275 nan 8.380 nan 0.000 0.437 335 N N 0.478 119.138 118.700 -0.067 0.000 2.399 335 N HA 0.075 4.814 4.740 -0.002 0.000 0.250 335 N C 1.093 176.602 175.510 -0.000 0.000 1.272 335 N CA 0.073 53.105 53.050 -0.030 0.000 0.928 335 N CB 0.529 38.996 38.487 -0.034 0.000 1.158 335 N HN -0.096 nan 8.380 nan 0.000 0.463 336 S N 0.314 116.020 115.700 0.010 0.000 2.383 336 S HA -0.148 4.321 4.470 -0.002 0.000 0.229 336 S C 1.048 175.663 174.600 0.025 0.000 1.030 336 S CA 1.111 59.324 58.200 0.021 0.000 1.002 336 S CB -0.320 62.893 63.200 0.022 0.000 0.829 336 S HN 0.712 nan 8.310 nan 0.000 0.467 337 N N 1.281 119.994 118.700 0.021 0.000 2.380 337 N HA 0.064 4.803 4.740 -0.002 0.000 0.255 337 N C -0.214 175.306 175.510 0.018 0.000 1.158 337 N CA -0.126 52.937 53.050 0.022 0.000 0.878 337 N CB -0.164 38.340 38.487 0.027 0.000 1.138 337 N HN 0.267 nan 8.380 nan 0.000 0.509 338 S N -1.048 114.658 115.700 0.010 0.000 2.589 338 S HA 0.127 4.596 4.470 -0.002 0.000 0.265 338 S C 1.561 176.171 174.600 0.017 0.000 1.342 338 S CA -0.569 57.623 58.200 -0.013 0.000 1.005 338 S CB 1.018 64.198 63.200 -0.033 0.000 0.909 338 S HN -0.049 nan 8.310 nan 0.000 0.555 339 V N 2.194 122.096 119.914 -0.019 0.000 2.287 339 V HA -0.193 3.926 4.120 -0.002 0.000 0.248 339 V C 3.010 179.252 176.094 0.246 0.000 1.053 339 V CA 2.387 64.729 62.300 0.071 0.000 1.027 339 V CB -1.893 29.871 31.823 -0.098 0.000 0.646 339 V HN 1.038 nan 8.190 nan 0.000 0.447 340 A N -0.274 122.569 122.820 0.038 0.000 1.908 340 A HA -0.288 4.031 4.320 -0.002 0.000 0.218 340 A C 2.357 180.198 177.584 0.429 0.000 1.181 340 A CA 2.348 54.495 52.037 0.184 0.000 0.627 340 A CB -0.478 18.434 19.000 -0.147 0.000 0.818 340 A HN 0.551 nan 8.150 nan 0.000 0.445 341 K N -1.129 119.402 120.400 0.217 0.000 2.103 341 K HA -0.080 4.239 4.320 -0.002 0.000 0.204 341 K C 2.016 178.729 176.600 0.188 0.000 1.052 341 K CA 1.509 57.908 56.287 0.187 0.000 0.945 341 K CB -0.293 32.267 32.500 0.099 0.000 0.722 341 K HN 0.412 nan 8.250 nan 0.000 0.443 342 T N 0.341 114.975 114.554 0.135 0.000 2.624 342 T HA -0.200 4.149 4.350 -0.002 0.000 0.268 342 T C 1.430 176.094 174.700 -0.060 0.000 1.041 342 T CA 1.871 63.957 62.100 -0.023 0.000 1.159 342 T CB -0.434 68.302 68.868 -0.220 0.000 0.863 342 T HN 0.313 nan 8.240 nan 0.000 0.434 343 Y N 0.540 120.986 120.300 0.244 0.000 2.516 343 Y HA 0.234 4.783 4.550 -0.002 0.000 0.291 343 Y C 2.032 178.051 175.900 0.198 0.000 1.131 343 Y CA 0.260 58.465 58.100 0.175 0.000 1.281 343 Y CB -0.302 38.232 38.460 0.124 0.000 1.013 343 Y HN 0.148 nan 8.280 nan 0.000 0.554 344 L N -0.505 120.922 121.223 0.340 0.000 2.492 344 L HA -0.003 4.336 4.340 -0.002 0.000 0.223 344 L C 0.244 177.230 176.870 0.193 0.000 1.132 344 L CA 0.456 55.445 54.840 0.248 0.000 0.850 344 L CB -0.280 41.943 42.059 0.274 0.000 0.966 344 L HN 0.173 nan 8.230 nan 0.000 0.454 345 N N -0.645 118.167 118.700 0.188 0.000 2.472 345 N HA 0.287 5.027 4.740 -0.002 0.000 0.289 345 N C -2.464 173.129 175.510 0.139 0.000 1.156 345 N CA -1.674 51.458 53.050 0.137 0.000 0.940 345 N CB 1.427 39.979 38.487 0.108 0.000 1.200 345 N HN -0.243 nan 8.380 nan 0.000 0.511 346 P HA 0.067 nan 4.420 nan 0.000 0.272 346 P C -2.116 175.158 177.300 -0.044 0.000 1.240 346 P CA -0.767 62.335 63.100 0.003 0.000 0.791 346 P CB 0.279 31.972 31.700 -0.011 0.000 0.978 347 P HA 0.045 nan 4.420 nan 0.000 0.255 347 P C -0.104 176.914 177.300 -0.470 0.000 1.427 347 P CA 0.713 63.615 63.100 -0.330 0.000 0.863 347 P CB -0.084 31.390 31.700 -0.376 0.000 1.444 348 Y N 0.104 120.419 120.300 0.026 0.000 2.333 348 Y HA 0.070 4.619 4.550 -0.001 0.000 0.287 348 Y C 1.590 177.528 175.900 0.064 0.000 1.149 348 Y CA 0.429 58.563 58.100 0.056 0.000 1.193 348 Y CB -0.573 37.952 38.460 0.108 0.000 1.175 348 Y HN -0.210 nan 8.280 nan 0.000 0.518 349 S N 0.518 116.362 115.700 0.240 0.000 3.628 349 S HA -0.131 4.338 4.470 -0.002 0.000 0.373 349 S C 0.016 174.741 174.600 0.207 0.000 0.968 349 S CA 0.071 58.388 58.200 0.194 0.000 1.215 349 S CB -2.421 60.877 63.200 0.163 0.000 0.912 349 S HN 0.386 nan 8.310 nan 0.000 0.495 350 V N -1.051 118.961 119.914 0.164 0.000 3.376 350 V HA 0.318 4.438 4.120 -0.002 0.000 0.303 350 V C 1.068 177.205 176.094 0.072 0.000 1.100 350 V CA 0.051 62.388 62.300 0.062 0.000 1.126 350 V CB 0.736 32.513 31.823 -0.076 0.000 1.085 350 V HN 0.405 nan 8.190 nan 0.000 0.480 351 D N 0.837 121.267 120.400 0.051 0.000 2.395 351 D HA 0.426 5.065 4.640 -0.002 0.000 0.213 351 D C 0.574 177.006 176.300 0.220 0.000 1.110 351 D CA 1.099 55.160 54.000 0.100 0.000 0.835 351 D CB 1.084 41.852 40.800 -0.055 0.000 0.965 351 D HN 1.053 nan 8.370 nan 0.000 0.505 352 G N 0.371 109.205 108.800 0.058 0.000 2.316 352 G HA2 0.297 4.256 3.960 -0.002 0.000 0.296 352 G HA3 0.297 4.256 3.960 -0.002 0.000 0.296 352 G C -2.296 172.566 174.900 -0.063 0.000 1.399 352 G CA -1.083 44.086 45.100 0.114 0.000 0.833 352 G HN 0.035 nan 8.290 nan 0.000 0.565 353 W N 0.290 121.706 121.300 0.193 0.000 2.785 353 W HA 0.732 5.391 4.660 -0.001 0.000 0.333 353 W C 0.184 176.694 176.519 -0.015 0.000 1.062 353 W CA -0.948 56.498 57.345 0.167 0.000 1.233 353 W CB 2.134 31.822 29.460 0.380 0.000 1.413 353 W HN 0.473 nan 8.180 nan 0.000 0.489 354 R N 4.087 124.686 120.500 0.164 0.000 2.255 354 R HA 0.435 4.774 4.340 -0.002 0.000 0.326 354 R C -1.201 175.023 176.300 -0.127 0.000 0.986 354 R CA -0.495 55.521 56.100 -0.139 0.000 0.847 354 R CB 0.596 30.688 30.300 -0.348 0.000 1.111 354 R HN 0.762 nan 8.270 nan 0.000 0.452 355 L N 4.541 125.548 121.223 -0.359 0.000 2.295 355 L HA 0.231 4.570 4.340 -0.002 0.000 0.288 355 L C 0.518 177.205 176.870 -0.304 0.000 1.079 355 L CA -0.602 53.976 54.840 -0.437 0.000 0.830 355 L CB 0.263 41.755 42.059 -0.945 0.000 1.200 355 L HN 0.540 nan 8.230 nan 0.000 0.438 356 N N 2.968 121.587 118.700 -0.136 0.000 2.492 356 N HA 0.239 4.978 4.740 -0.002 0.000 0.262 356 N C 0.857 176.411 175.510 0.073 0.000 1.202 356 N CA 0.761 53.808 53.050 -0.004 0.000 0.926 356 N CB 0.916 39.456 38.487 0.088 0.000 1.078 356 N HN 0.734 nan 8.380 nan 0.000 0.454 357 A N 2.163 125.088 122.820 0.174 0.000 2.715 357 A HA -0.250 4.069 4.320 -0.002 0.000 0.301 357 A C 1.710 179.560 177.584 0.444 0.000 1.515 357 A CA 1.401 53.713 52.037 0.457 0.000 0.816 357 A CB -2.206 17.139 19.000 0.575 0.000 1.004 357 A HN 1.003 nan 8.150 nan 0.000 0.483 358 A N -0.422 122.517 122.820 0.198 0.000 2.032 358 A HA -0.208 4.111 4.320 -0.002 0.000 0.221 358 A C 2.042 179.883 177.584 0.430 0.000 1.165 358 A CA 2.041 54.232 52.037 0.256 0.000 0.645 358 A CB -0.476 18.245 19.000 -0.464 0.000 0.807 358 A HN 1.320 nan 8.150 nan 0.000 0.453 359 Q N -2.059 117.848 119.800 0.179 0.000 2.297 359 Q HA -0.139 4.200 4.340 -0.002 0.000 0.204 359 Q C 1.355 177.378 176.000 0.038 0.000 0.962 359 Q CA 1.549 57.369 55.803 0.028 0.000 0.879 359 Q CB -0.449 28.223 28.738 -0.110 0.000 0.947 359 Q HN 0.746 nan 8.270 nan 0.000 0.462 360 Y N 0.567 121.077 120.300 0.350 0.000 2.510 360 Y HA 0.196 4.745 4.550 -0.002 0.000 0.273 360 Y C 0.832 176.872 175.900 0.234 0.000 1.119 360 Y CA -0.524 57.755 58.100 0.299 0.000 1.286 360 Y CB 0.564 39.228 38.460 0.341 0.000 1.061 360 Y HN -0.151 nan 8.280 nan 0.000 0.542 361 V N 2.907 123.011 119.914 0.317 0.000 2.583 361 V HA -0.118 4.001 4.120 -0.002 0.000 0.302 361 V C 0.073 176.141 176.094 -0.044 0.000 1.033 361 V CA 0.879 63.193 62.300 0.024 0.000 1.194 361 V CB -0.224 31.383 31.823 -0.360 0.000 0.879 361 V HN 0.319 nan 8.190 nan 0.000 0.482 362 D N 2.264 122.684 120.400 0.034 0.000 2.838 362 D HA 0.727 5.366 4.640 -0.002 0.000 0.334 362 D C -0.736 175.655 176.300 0.152 0.000 1.315 362 D CA 0.039 54.080 54.000 0.068 0.000 0.917 362 D CB 2.295 43.175 40.800 0.133 0.000 1.435 362 D HN 0.616 nan 8.370 nan 0.000 0.517 363 A N -0.055 122.842 122.820 0.129 0.000 2.330 363 A HA 0.624 4.943 4.320 -0.002 0.000 0.329 363 A C 0.145 177.804 177.584 0.125 0.000 1.135 363 A CA -0.178 51.937 52.037 0.130 0.000 0.817 363 A CB 0.480 19.539 19.000 0.099 0.000 1.269 363 A HN 0.744 nan 8.150 nan 0.000 0.469 364 N N -0.035 118.732 118.700 0.112 0.000 2.693 364 N HA -0.259 4.480 4.740 -0.002 0.000 0.249 364 N C 0.887 176.486 175.510 0.147 0.000 1.119 364 N CA 1.025 54.146 53.050 0.117 0.000 0.717 364 N CB -0.932 37.626 38.487 0.119 0.000 1.071 364 N HN 2.002 nan 8.380 nan 0.000 0.555 365 G N -1.228 107.666 108.800 0.156 0.000 2.162 365 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.260 365 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.260 365 G C 0.201 175.245 174.900 0.241 0.000 0.976 365 G CA 0.444 45.668 45.100 0.207 0.000 0.655 365 G HN 0.523 nan 8.290 nan 0.000 0.533 366 N N -0.206 118.616 118.700 0.204 0.000 2.340 366 N HA 0.179 4.918 4.740 -0.002 0.000 0.236 366 N C 1.158 176.801 175.510 0.221 0.000 1.296 366 N CA 0.465 53.629 53.050 0.190 0.000 0.896 366 N CB 0.075 38.651 38.487 0.149 0.000 1.127 366 N HN 0.301 nan 8.380 nan 0.000 0.442 367 N N 0.006 118.837 118.700 0.219 0.000 2.461 367 N HA 0.044 4.783 4.740 -0.002 0.000 0.188 367 N C 0.528 176.209 175.510 0.286 0.000 1.134 367 N CA 0.246 53.475 53.050 0.298 0.000 0.878 367 N CB 0.105 38.749 38.487 0.261 0.000 0.972 367 N HN 0.699 nan 8.380 nan 0.000 0.456 368 G N -0.119 108.802 108.800 0.201 0.000 2.632 368 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.224 368 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.224 368 G C 0.014 174.991 174.900 0.128 0.000 1.341 368 G CA -0.285 44.908 45.100 0.156 0.000 0.880 368 G HN 0.229 nan 8.290 nan 0.000 0.566 369 S N -0.062 115.735 115.700 0.161 0.000 3.614 369 S HA -0.109 4.360 4.470 -0.002 0.000 0.360 369 S C 0.101 174.727 174.600 0.043 0.000 1.023 369 S CA 2.957 61.257 58.200 0.168 0.000 1.114 369 S CB -1.647 61.699 63.200 0.243 0.000 0.907 369 S HN 1.910 nan 8.310 nan 0.000 0.470 370 D N -2.080 118.305 120.400 -0.025 0.000 2.744 370 D HA 0.585 5.224 4.640 -0.002 0.000 0.304 370 D C 1.290 177.625 176.300 0.057 0.000 1.179 370 D CA -0.342 53.676 54.000 0.031 0.000 1.024 370 D CB 0.161 40.989 40.800 0.047 0.000 1.453 370 D HN 0.270 nan 8.370 nan 0.000 0.529 371 V N -2.187 117.773 119.914 0.076 0.000 2.332 371 V HA -0.223 3.896 4.120 -0.002 0.000 0.248 371 V C 1.737 177.866 176.094 0.058 0.000 1.055 371 V CA 2.382 64.730 62.300 0.080 0.000 1.038 371 V CB -1.672 30.176 31.823 0.041 0.000 0.651 371 V HN 0.669 nan 8.190 nan 0.000 0.450 372 T N 1.178 115.752 114.554 0.033 0.000 2.708 372 T HA -0.195 4.154 4.350 -0.002 0.000 0.266 372 T C 2.021 176.704 174.700 -0.029 0.000 1.037 372 T CA 1.913 64.023 62.100 0.016 0.000 1.146 372 T CB -0.688 68.196 68.868 0.027 0.000 0.865 372 T HN 0.722 nan 8.240 nan 0.000 0.435 373 N N 1.059 119.725 118.700 -0.057 0.000 2.061 373 N HA -0.204 4.535 4.740 -0.002 0.000 0.193 373 N C 1.683 177.144 175.510 -0.081 0.000 1.030 373 N CA 1.829 54.809 53.050 -0.117 0.000 0.856 373 N CB -0.367 38.090 38.487 -0.050 0.000 1.023 373 N HN 0.581 nan 8.380 nan 0.000 0.424 374 H N 0.124 119.236 119.070 0.071 0.000 2.423 374 H HA -0.036 4.519 4.556 -0.002 0.000 0.297 374 H C 2.261 177.617 175.328 0.047 0.000 1.075 374 H CA 1.463 57.543 56.048 0.053 0.000 1.342 374 H CB 0.035 29.713 29.762 -0.140 0.000 1.395 374 H HN 0.426 nan 8.280 nan 0.000 0.530 375 Q N 0.885 120.748 119.800 0.105 0.000 2.079 375 Q HA -0.140 4.199 4.340 -0.002 0.000 0.200 375 Q C 2.076 178.101 176.000 0.041 0.000 0.974 375 Q CA 1.407 57.250 55.803 0.066 0.000 0.840 375 Q CB 0.027 28.793 28.738 0.046 0.000 0.898 375 Q HN 0.529 nan 8.270 nan 0.000 0.430 376 I N -0.564 119.972 120.570 -0.057 0.000 2.226 376 I HA -0.274 3.896 4.170 -0.002 0.000 0.245 376 I C 1.772 177.762 176.117 -0.213 0.000 1.100 376 I CA 1.327 62.524 61.300 -0.173 0.000 1.374 376 I CB -0.381 37.341 38.000 -0.464 0.000 1.057 376 I HN 0.364 nan 8.210 nan 0.000 0.413 377 W N 0.474 121.804 121.300 0.050 0.000 2.465 377 W HA -0.134 4.525 4.660 -0.002 0.000 0.268 377 W C 2.779 179.380 176.519 0.136 0.000 1.242 377 W CA 0.259 57.684 57.345 0.133 0.000 1.248 377 W CB -0.209 29.439 29.460 0.314 0.000 1.118 377 W HN -0.018 nan 8.180 nan 0.000 0.587 378 S N 0.369 116.228 115.700 0.265 0.000 2.368 378 S HA -0.170 4.299 4.470 -0.002 0.000 0.224 378 S C 1.459 176.121 174.600 0.104 0.000 1.029 378 S CA 1.405 59.702 58.200 0.162 0.000 0.988 378 S CB -0.266 62.991 63.200 0.095 0.000 0.838 378 S HN 0.367 nan 8.310 nan 0.000 0.462 379 E N 0.124 120.350 120.200 0.043 0.000 2.150 379 E HA -0.104 4.245 4.350 -0.002 0.000 0.193 379 E C 1.744 178.215 176.600 -0.214 0.000 0.985 379 E CA 0.805 57.200 56.400 -0.008 0.000 0.814 379 E CB -0.225 29.554 29.700 0.131 0.000 0.752 379 E HN 0.527 nan 8.360 nan 0.000 0.466 380 F N 2.282 121.887 119.950 -0.575 0.000 2.134 380 F HA -0.146 4.380 4.527 -0.001 0.000 0.299 380 F C 2.502 178.252 175.800 -0.083 0.000 1.097 380 F CA 1.517 59.171 58.000 -0.576 0.000 1.264 380 F CB 0.039 38.879 39.000 -0.266 0.000 1.001 380 F HN -0.221 nan 8.300 nan 0.000 0.479 381 R N 0.514 121.136 120.500 0.204 0.000 2.081 381 R HA -0.213 4.126 4.340 -0.002 0.000 0.235 381 R C 2.309 178.634 176.300 0.042 0.000 1.131 381 R CA 1.673 57.873 56.100 0.167 0.000 0.960 381 R CB -0.823 29.627 30.300 0.250 0.000 0.856 381 R HN 0.359 nan 8.270 nan 0.000 0.436 382 N N 0.219 118.940 118.700 0.035 0.000 2.149 382 N HA -0.173 4.566 4.740 -0.002 0.000 0.188 382 N C 1.529 177.041 175.510 0.004 0.000 1.019 382 N CA 1.585 54.654 53.050 0.031 0.000 0.857 382 N CB -0.014 38.499 38.487 0.043 0.000 0.997 382 N HN 0.354 nan 8.380 nan 0.000 0.426 383 A N 0.683 123.474 122.820 -0.048 0.000 1.854 383 A HA -0.030 4.289 4.320 -0.002 0.000 0.214 383 A C 2.549 180.089 177.584 -0.074 0.000 1.192 383 A CA 1.207 53.218 52.037 -0.044 0.000 0.611 383 A CB -0.837 18.144 19.000 -0.032 0.000 0.832 383 A HN 0.149 nan 8.150 nan 0.000 0.442 384 V N 0.716 120.514 119.914 -0.193 0.000 2.287 384 V HA -0.242 3.877 4.120 -0.002 0.000 0.248 384 V C 2.471 178.581 176.094 0.026 0.000 1.053 384 V CA 2.186 64.425 62.300 -0.102 0.000 1.027 384 V CB -0.620 31.098 31.823 -0.175 0.000 0.646 384 V HN 0.407 nan 8.190 nan 0.000 0.447 385 K N 0.614 121.035 120.400 0.035 0.000 2.211 385 K HA -0.053 4.266 4.320 -0.002 0.000 0.203 385 K C 2.183 178.818 176.600 0.060 0.000 1.050 385 K CA 1.313 57.641 56.287 0.069 0.000 0.945 385 K CB -1.021 31.527 32.500 0.080 0.000 0.732 385 K HN 0.550 nan 8.250 nan 0.000 0.451 386 G N 0.908 109.734 108.800 0.044 0.000 2.404 386 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.215 386 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.215 386 G C 1.696 176.627 174.900 0.052 0.000 1.174 386 G CA 0.687 45.814 45.100 0.045 0.000 0.780 386 G HN 0.127 nan 8.290 nan 0.000 0.537 387 V N 0.764 120.714 119.914 0.059 0.000 2.358 387 V HA -0.005 4.114 4.120 -0.002 0.000 0.246 387 V C 0.834 176.978 176.094 0.083 0.000 1.047 387 V CA 1.651 63.995 62.300 0.073 0.000 1.035 387 V CB -0.360 31.518 31.823 0.092 0.000 0.658 387 V HN 0.481 nan 8.190 nan 0.000 0.452 388 N N -0.917 117.840 118.700 0.096 0.000 2.629 388 N HA 0.066 4.805 4.740 -0.002 0.000 0.277 388 N C 0.739 176.318 175.510 0.114 0.000 1.188 388 N CA 0.523 53.638 53.050 0.107 0.000 0.835 388 N CB 1.647 40.213 38.487 0.131 0.000 1.420 388 N HN 0.119 nan 8.380 nan 0.000 0.542 389 S N 2.074 117.831 115.700 0.095 0.000 2.493 389 S HA -0.043 4.426 4.470 -0.002 0.000 0.243 389 S C 0.595 175.258 174.600 0.104 0.000 0.991 389 S CA 0.701 58.953 58.200 0.088 0.000 0.957 389 S CB -0.127 63.112 63.200 0.065 0.000 0.756 389 S HN 0.538 nan 8.310 nan 0.000 0.521 390 N N 1.588 120.380 118.700 0.154 0.000 2.273 390 N HA 0.383 5.122 4.740 -0.002 0.000 0.231 390 N C -0.343 175.395 175.510 0.380 0.000 1.134 390 N CA 0.295 53.492 53.050 0.244 0.000 0.856 390 N CB 1.002 39.675 38.487 0.310 0.000 1.068 390 N HN 0.517 nan 8.380 nan 0.000 0.510 391 A N 0.627 123.608 122.820 0.268 0.000 2.289 391 A HA 0.692 5.011 4.320 -0.002 0.000 0.298 391 A C 0.436 178.175 177.584 0.257 0.000 1.208 391 A CA -0.526 51.695 52.037 0.306 0.000 0.845 391 A CB 0.489 19.635 19.000 0.244 0.000 1.125 391 A HN 0.213 nan 8.150 nan 0.000 0.517 392 A N 2.643 125.639 122.820 0.294 0.000 2.371 392 A HA 0.643 4.962 4.320 -0.002 0.000 0.257 392 A C -0.167 177.519 177.584 0.172 0.000 1.089 392 A CA -0.114 51.989 52.037 0.109 0.000 0.794 392 A CB 0.014 19.005 19.000 -0.014 0.000 1.029 392 A HN 0.791 nan 8.150 nan 0.000 0.488 393 I N 2.673 123.309 120.570 0.109 0.000 2.476 393 I HA 0.309 4.478 4.170 -0.002 0.000 0.281 393 I C -1.095 174.992 176.117 -0.050 0.000 1.040 393 I CA 0.101 61.478 61.300 0.129 0.000 1.094 393 I CB 1.306 39.458 38.000 0.252 0.000 1.219 393 I HN 0.464 nan 8.210 nan 0.000 0.450 394 I N 5.285 125.736 120.570 -0.198 0.000 2.410 394 I HA 0.456 4.625 4.170 -0.002 0.000 0.286 394 I C 0.581 176.302 176.117 -0.659 0.000 1.009 394 I CA -0.485 60.618 61.300 -0.329 0.000 1.111 394 I CB 1.939 39.774 38.000 -0.275 0.000 1.262 394 I HN 0.557 nan 8.210 nan 0.000 0.443 395 G N 4.422 112.560 108.800 -1.104 0.000 2.400 395 G HA2 0.327 4.286 3.960 -0.002 0.000 0.301 395 G HA3 0.327 4.286 3.960 -0.002 0.000 0.301 395 G C -0.735 173.636 174.900 -0.882 0.000 1.154 395 G CA -0.385 43.615 45.100 -1.833 0.000 0.852 395 G HN 0.643 nan 8.290 nan 0.000 0.511 396 Q N 0.378 119.823 119.800 -0.591 0.000 2.288 396 Q HA 0.453 4.792 4.340 -0.002 0.000 0.258 396 Q C -1.751 174.261 176.000 0.020 0.000 0.957 396 Q CA -0.431 55.253 55.803 -0.198 0.000 0.919 396 Q CB 0.679 29.358 28.738 -0.098 0.000 1.185 396 Q HN 0.525 nan 8.270 nan 0.000 0.408 397 Y N 3.376 123.642 120.300 -0.057 0.000 2.474 397 Y HA 0.187 4.736 4.550 -0.002 0.000 0.326 397 Y C -1.410 174.576 175.900 0.144 0.000 1.160 397 Y CA -1.067 57.082 58.100 0.081 0.000 1.056 397 Y CB 0.860 39.394 38.460 0.122 0.000 1.330 397 Y HN 0.779 nan 8.280 nan 0.000 0.447 398 W N 2.315 123.387 121.300 -0.380 0.000 2.812 398 W HA 0.404 5.064 4.660 -0.001 0.000 0.263 398 W C 1.203 177.705 176.519 -0.030 0.000 1.284 398 W CA 0.810 58.035 57.345 -0.200 0.000 1.430 398 W CB 0.045 29.277 29.460 -0.380 0.000 1.088 398 W HN 0.708 nan 8.180 nan 0.000 0.623 399 G N 0.078 108.863 108.800 -0.023 0.000 3.019 399 G HA2 0.092 4.051 3.960 -0.002 0.000 0.152 399 G HA3 0.092 4.051 3.960 -0.002 0.000 0.152 399 G C -0.640 174.588 174.900 0.547 0.000 1.320 399 G CA -0.619 44.640 45.100 0.266 0.000 1.013 399 G HN -0.129 nan 8.290 nan 0.000 0.593 400 N N 0.888 119.894 118.700 0.510 0.000 2.399 400 N HA 0.325 5.064 4.740 -0.002 0.000 0.259 400 N C 0.784 176.598 175.510 0.506 0.000 1.160 400 N CA 0.207 53.489 53.050 0.386 0.000 0.946 400 N CB 1.126 39.707 38.487 0.156 0.000 1.156 400 N HN 0.434 nan 8.380 nan 0.000 0.489 401 A N 3.940 127.111 122.820 0.585 0.000 2.276 401 A HA -0.041 4.278 4.320 -0.002 0.000 0.212 401 A C 1.901 179.707 177.584 0.370 0.000 1.230 401 A CA -0.203 52.123 52.037 0.481 0.000 0.844 401 A CB -0.677 18.639 19.000 0.527 0.000 0.860 401 A HN 0.843 nan 8.150 nan 0.000 0.486 402 N N 1.356 120.139 118.700 0.137 0.000 2.096 402 N HA -0.176 4.563 4.740 -0.002 0.000 0.195 402 N C -1.101 174.304 175.510 -0.175 0.000 1.017 402 N CA 2.182 55.190 53.050 -0.070 0.000 0.870 402 N CB -0.757 37.607 38.487 -0.204 0.000 1.024 402 N HN 0.270 nan 8.380 nan 0.000 0.434 403 P HA -0.082 nan 4.420 nan 0.000 0.219 403 P C 0.686 177.492 177.300 -0.824 0.000 1.146 403 P CA 1.100 63.781 63.100 -0.699 0.000 0.808 403 P CB -0.246 30.836 31.700 -1.031 0.000 0.779 404 W N -0.879 120.104 121.300 -0.529 0.000 3.220 404 W HA 0.200 4.859 4.660 -0.002 0.000 0.328 404 W C 1.011 177.126 176.519 -0.673 0.000 1.205 404 W CA 0.774 57.614 57.345 -0.842 0.000 1.773 404 W CB -0.317 27.978 29.460 -1.941 0.000 1.086 404 W HN 0.145 nan 8.180 nan 0.000 0.622 405 T N -4.225 110.209 114.554 -0.200 0.000 3.250 405 T HA 0.208 4.557 4.350 -0.002 0.000 0.265 405 T C 1.847 176.428 174.700 -0.198 0.000 0.973 405 T CA 0.722 62.772 62.100 -0.085 0.000 1.040 405 T CB -0.351 68.601 68.868 0.141 0.000 1.167 405 T HN -0.175 nan 8.240 nan 0.000 0.471 406 A N 1.432 124.130 122.820 -0.204 0.000 2.225 406 A HA -0.002 4.317 4.320 -0.002 0.000 0.215 406 A C 2.179 179.604 177.584 -0.265 0.000 1.164 406 A CA 0.895 52.742 52.037 -0.318 0.000 0.710 406 A CB -0.645 18.129 19.000 -0.375 0.000 0.780 406 A HN 0.490 nan 8.150 nan 0.000 0.473 407 Q N -1.621 117.984 119.800 -0.324 0.000 2.408 407 Q HA 0.121 4.460 4.340 -0.002 0.000 0.205 407 Q C 1.373 177.127 176.000 -0.410 0.000 0.919 407 Q CA 0.736 56.364 55.803 -0.291 0.000 0.932 407 Q CB 0.006 28.567 28.738 -0.295 0.000 1.058 407 Q HN 0.916 nan 8.270 nan 0.000 0.517 408 G N 2.680 111.004 108.800 -0.794 0.000 2.166 408 G HA2 -0.341 3.618 3.960 -0.002 0.000 0.260 408 G HA3 -0.341 3.618 3.960 -0.002 0.000 0.260 408 G C 0.391 174.805 174.900 -0.809 0.000 0.986 408 G CA 0.919 45.144 45.100 -1.457 0.000 0.683 408 G HN 0.640 nan 8.290 nan 0.000 0.527 409 N N -1.787 116.637 118.700 -0.461 0.000 2.194 409 N HA 0.269 5.008 4.740 -0.002 0.000 0.231 409 N C 1.026 176.516 175.510 -0.033 0.000 1.247 409 N CA -0.016 52.932 53.050 -0.170 0.000 0.884 409 N CB 0.377 38.801 38.487 -0.105 0.000 1.146 409 N HN 0.506 nan 8.380 nan 0.000 0.516 410 Q N -0.298 119.472 119.800 -0.050 0.000 1.989 410 Q HA 0.269 4.608 4.340 -0.002 0.000 0.166 410 Q C -0.721 175.486 176.000 0.344 0.000 0.536 410 Q CA -0.478 55.421 55.803 0.160 0.000 0.651 410 Q CB 0.392 29.147 28.738 0.029 0.000 1.468 410 Q HN 0.152 nan 8.270 nan 0.000 0.350 411 W N 1.823 123.168 121.300 0.075 0.000 2.359 411 W HA 0.279 4.938 4.660 -0.002 0.000 0.344 411 W C 0.468 177.086 176.519 0.165 0.000 1.170 411 W CA -0.838 56.539 57.345 0.052 0.000 1.296 411 W CB -0.030 29.383 29.460 -0.079 0.000 1.197 411 W HN 0.440 nan 8.180 nan 0.000 0.618 412 D N 0.416 121.024 120.400 0.346 0.000 2.249 412 D HA 0.242 4.881 4.640 -0.002 0.000 0.205 412 D C 0.699 177.060 176.300 0.102 0.000 0.962 412 D CA 1.094 55.215 54.000 0.202 0.000 0.860 412 D CB 0.661 41.462 40.800 0.001 0.000 0.955 412 D HN 0.290 nan 8.370 nan 0.000 0.505 413 A N -0.550 122.332 122.820 0.103 0.000 2.457 413 A HA 0.714 5.033 4.320 -0.002 0.000 0.305 413 A C -1.667 175.950 177.584 0.054 0.000 1.110 413 A CA -0.015 52.015 52.037 -0.012 0.000 0.616 413 A CB 0.690 19.597 19.000 -0.155 0.000 1.371 413 A HN 0.131 nan 8.150 nan 0.000 0.525 414 A N -0.819 121.975 122.820 -0.043 0.000 2.583 414 A HA 0.834 5.153 4.320 -0.002 0.000 0.289 414 A C -0.049 177.488 177.584 -0.078 0.000 1.151 414 A CA 0.223 52.261 52.037 0.001 0.000 0.695 414 A CB 0.409 19.566 19.000 0.261 0.000 1.290 414 A HN 2.262 nan 8.150 nan 0.000 0.419 415 T N -0.096 114.426 114.554 -0.054 0.000 2.761 415 T HA 0.144 4.493 4.350 -0.002 0.000 0.287 415 T C 0.173 174.798 174.700 -0.126 0.000 0.931 415 T CA -0.113 61.953 62.100 -0.056 0.000 1.164 415 T CB -0.207 68.664 68.868 0.006 0.000 0.876 415 T HN 0.496 nan 8.240 nan 0.000 0.534 416 N N 2.648 121.151 118.700 -0.330 0.000 3.115 416 N HA 0.145 4.885 4.740 -0.002 0.000 0.305 416 N C 0.386 175.787 175.510 -0.182 0.000 1.305 416 N CA -0.806 52.127 53.050 -0.196 0.000 1.154 416 N CB -1.051 37.329 38.487 -0.179 0.000 1.454 416 N HN 0.697 nan 8.380 nan 0.000 0.551 417 F N -0.121 119.781 119.950 -0.079 0.000 2.069 417 F HA -0.180 4.346 4.527 -0.001 0.000 0.298 417 F C 2.162 178.110 175.800 0.247 0.000 1.113 417 F CA 1.256 59.264 58.000 0.013 0.000 1.214 417 F CB -0.064 38.938 39.000 0.004 0.000 0.978 417 F HN 0.259 nan 8.300 nan 0.000 0.474 418 D N -0.722 119.990 120.400 0.521 0.000 2.183 418 D HA -0.059 4.580 4.640 -0.002 0.000 0.203 418 D C 2.190 178.807 176.300 0.528 0.000 0.969 418 D CA 1.315 55.642 54.000 0.544 0.000 0.842 418 D CB -0.313 40.780 40.800 0.489 0.000 0.957 418 D HN 0.205 nan 8.370 nan 0.000 0.484 419 G N -2.378 106.666 108.800 0.408 0.000 3.126 419 G HA2 0.108 4.067 3.960 -0.002 0.000 0.224 419 G HA3 0.108 4.067 3.960 -0.002 0.000 0.224 419 G C 0.636 175.714 174.900 0.298 0.000 1.142 419 G CA -0.046 45.279 45.100 0.374 0.000 0.759 419 G HN 0.323 nan 8.290 nan 0.000 0.550 420 F N -0.359 119.608 119.950 0.029 0.000 1.832 420 F HA 0.133 4.659 4.527 -0.001 0.000 0.236 420 F C 2.364 178.134 175.800 -0.050 0.000 1.180 420 F CA 1.107 59.091 58.000 -0.027 0.000 1.297 420 F CB -0.143 38.813 39.000 -0.072 0.000 1.748 420 F HN -0.023 nan 8.300 nan 0.000 0.453 421 T N 0.874 115.409 114.554 -0.031 0.000 2.635 421 T HA -0.272 4.077 4.350 -0.002 0.000 0.267 421 T C 1.614 176.365 174.700 0.084 0.000 1.040 421 T CA 2.267 64.343 62.100 -0.040 0.000 1.156 421 T CB -0.434 68.411 68.868 -0.039 0.000 0.863 421 T HN 0.240 nan 8.240 nan 0.000 0.430 422 Q N 1.521 121.459 119.800 0.229 0.000 1.993 422 Q HA -0.043 4.296 4.340 -0.002 0.000 0.202 422 Q C -0.507 175.291 176.000 -0.337 0.000 0.984 422 Q CA 1.851 57.731 55.803 0.130 0.000 0.837 422 Q CB -1.103 27.808 28.738 0.289 0.000 0.902 422 Q HN 0.376 nan 8.270 nan 0.000 0.423 423 P HA -0.147 nan 4.420 nan 0.000 0.215 423 P C 1.267 178.350 177.300 -0.362 0.000 1.153 423 P CA 1.316 63.831 63.100 -0.976 0.000 0.853 423 P CB -0.056 30.889 31.700 -1.258 0.000 0.788 424 V N 0.597 120.335 119.914 -0.293 0.000 2.332 424 V HA -0.219 3.900 4.120 -0.002 0.000 0.248 424 V C 3.066 179.073 176.094 -0.145 0.000 1.055 424 V CA 2.466 64.582 62.300 -0.308 0.000 1.038 424 V CB -1.595 29.939 31.823 -0.483 0.000 0.651 424 V HN 0.262 nan 8.190 nan 0.000 0.450 425 S N -0.497 115.168 115.700 -0.059 0.000 2.356 425 S HA -0.237 4.232 4.470 -0.002 0.000 0.223 425 S C 1.962 176.513 174.600 -0.082 0.000 1.032 425 S CA 1.932 60.145 58.200 0.022 0.000 1.005 425 S CB -0.283 62.966 63.200 0.080 0.000 0.867 425 S HN 0.730 nan 8.310 nan 0.000 0.449 426 E N -0.992 119.137 120.200 -0.118 0.000 2.204 426 E HA -0.153 4.196 4.350 -0.002 0.000 0.194 426 E C 1.688 178.255 176.600 -0.056 0.000 0.989 426 E CA 1.027 57.376 56.400 -0.085 0.000 0.824 426 E CB -0.191 29.471 29.700 -0.064 0.000 0.756 426 E HN 0.751 nan 8.360 nan 0.000 0.477 427 W N 1.317 122.398 121.300 -0.365 0.000 2.441 427 W HA -0.006 4.653 4.660 -0.002 0.000 0.302 427 W C 1.738 178.066 176.519 -0.318 0.000 1.191 427 W CA 0.977 58.051 57.345 -0.452 0.000 1.327 427 W CB -0.190 28.636 29.460 -1.055 0.000 1.128 427 W HN -0.113 nan 8.180 nan 0.000 0.522 428 I N -0.234 120.140 120.570 -0.325 0.000 2.296 428 I HA -0.176 3.993 4.170 -0.002 0.000 0.242 428 I C 2.517 178.483 176.117 -0.251 0.000 1.087 428 I CA 1.847 62.940 61.300 -0.345 0.000 1.393 428 I CB -1.058 36.888 38.000 -0.089 0.000 1.093 428 I HN 0.009 nan 8.210 nan 0.000 0.421 429 T N -1.832 112.573 114.554 -0.249 0.000 3.054 429 T HA 0.174 4.523 4.350 -0.002 0.000 0.259 429 T C 1.626 176.205 174.700 -0.201 0.000 1.092 429 T CA 0.644 62.564 62.100 -0.301 0.000 1.121 429 T CB 0.259 68.859 68.868 -0.447 0.000 0.912 429 T HN 0.549 nan 8.240 nan 0.000 0.489 430 G N 1.508 110.214 108.800 -0.156 0.000 2.143 430 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.248 430 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.248 430 G C -0.097 174.751 174.900 -0.086 0.000 0.991 430 G CA 0.322 45.359 45.100 -0.104 0.000 0.689 430 G HN 0.681 nan 8.290 nan 0.000 0.522 431 K N 0.458 120.798 120.400 -0.100 0.000 2.400 431 K HA 0.538 4.857 4.320 -0.002 0.000 0.246 431 K C -0.203 176.355 176.600 -0.070 0.000 0.995 431 K CA -0.480 55.759 56.287 -0.080 0.000 0.840 431 K CB 1.804 34.249 32.500 -0.091 0.000 1.293 431 K HN 0.287 nan 8.250 nan 0.000 0.445 432 D N -0.630 119.725 120.400 -0.076 0.000 2.423 432 D HA 0.004 4.643 4.640 -0.002 0.000 0.255 432 D C 1.012 177.268 176.300 -0.074 0.000 1.174 432 D CA -0.234 53.683 54.000 -0.139 0.000 1.008 432 D CB 0.090 40.761 40.800 -0.214 0.000 1.101 432 D HN 0.548 nan 8.370 nan 0.000 0.516 433 Y N -2.120 118.251 120.300 0.119 0.000 2.716 433 Y HA 0.041 4.590 4.550 -0.002 0.000 0.302 433 Y C 1.211 177.187 175.900 0.128 0.000 1.160 433 Y CA 0.385 58.578 58.100 0.156 0.000 1.362 433 Y CB -0.766 37.864 38.460 0.283 0.000 0.988 433 Y HN 0.163 nan 8.280 nan 0.000 0.546 434 Q N 1.078 120.996 119.800 0.196 0.000 2.319 434 Q HA 0.037 4.376 4.340 -0.002 0.000 0.202 434 Q C 0.125 176.166 176.000 0.068 0.000 0.896 434 Q CA 0.406 56.305 55.803 0.161 0.000 0.942 434 Q CB -0.289 28.505 28.738 0.093 0.000 1.083 434 Q HN 0.844 nan 8.270 nan 0.000 0.510 435 N N 0.839 119.562 118.700 0.039 0.000 2.882 435 N HA -0.123 4.616 4.740 -0.002 0.000 0.249 435 N C -0.888 174.608 175.510 -0.022 0.000 1.079 435 N CA -0.058 52.991 53.050 -0.002 0.000 0.800 435 N CB -0.258 38.232 38.487 0.004 0.000 1.124 435 N HN 0.198 nan 8.380 nan 0.000 0.557 436 N N 0.540 119.222 118.700 -0.030 0.000 2.509 436 N HA 0.144 4.883 4.740 -0.002 0.000 0.287 436 N C -0.460 175.025 175.510 -0.042 0.000 1.121 436 N CA -0.040 52.989 53.050 -0.035 0.000 0.977 436 N CB 1.430 39.893 38.487 -0.039 0.000 1.167 436 N HN 0.075 nan 8.380 nan 0.000 0.476 437 S N 0.672 116.350 115.700 -0.037 0.000 2.537 437 S HA 0.401 4.870 4.470 -0.002 0.000 0.286 437 S C 0.035 174.618 174.600 -0.029 0.000 1.299 437 S CA -0.375 57.803 58.200 -0.038 0.000 1.067 437 S CB 0.246 63.426 63.200 -0.033 0.000 0.864 437 S HN 0.684 nan 8.310 nan 0.000 0.494 438 A N 2.728 125.532 122.820 -0.027 0.000 2.521 438 A HA 0.577 4.896 4.320 -0.002 0.000 0.298 438 A C -0.471 177.116 177.584 0.004 0.000 1.044 438 A CA -0.599 51.436 52.037 -0.002 0.000 0.911 438 A CB 1.060 20.062 19.000 0.002 0.000 1.376 438 A HN 0.608 nan 8.150 nan 0.000 0.392 439 S N 1.771 117.485 115.700 0.024 0.000 2.599 439 S HA 0.936 5.405 4.470 -0.002 0.000 0.294 439 S C -0.538 174.114 174.600 0.086 0.000 1.094 439 S CA -0.371 57.847 58.200 0.030 0.000 0.931 439 S CB 1.004 64.205 63.200 0.002 0.000 1.093 439 S HN 1.623 nan 8.310 nan 0.000 0.488 440 I N 0.490 121.131 120.570 0.119 0.000 2.802 440 I HA 0.669 4.838 4.170 -0.002 0.000 0.298 440 I C -0.034 176.222 176.117 0.231 0.000 1.176 440 I CA -0.921 60.487 61.300 0.180 0.000 1.025 440 I CB 2.038 40.188 38.000 0.249 0.000 1.243 440 I HN 0.643 nan 8.210 nan 0.000 0.424 441 S N 2.442 118.258 115.700 0.193 0.000 2.641 441 S HA 0.250 4.719 4.470 -0.002 0.000 0.261 441 S C 0.907 175.647 174.600 0.234 0.000 1.257 441 S CA 0.208 58.537 58.200 0.215 0.000 0.983 441 S CB 1.047 64.324 63.200 0.128 0.000 0.990 441 S HN 0.756 nan 8.310 nan 0.000 0.572 442 T N 1.464 116.170 114.554 0.255 0.000 2.777 442 T HA -0.087 4.262 4.350 -0.002 0.000 0.266 442 T C 2.143 176.722 174.700 -0.202 0.000 1.040 442 T CA 1.934 64.043 62.100 0.016 0.000 1.141 442 T CB -1.113 67.875 68.868 0.201 0.000 0.868 442 T HN 0.935 nan 8.240 nan 0.000 0.444 443 T N 0.611 115.136 114.554 -0.049 0.000 2.821 443 T HA -0.141 4.208 4.350 -0.002 0.000 0.267 443 T C 2.005 176.676 174.700 -0.048 0.000 1.046 443 T CA 1.248 63.318 62.100 -0.051 0.000 1.139 443 T CB -0.373 68.506 68.868 0.018 0.000 0.871 443 T HN 0.197 nan 8.240 nan 0.000 0.454 444 Q N 0.554 120.362 119.800 0.014 0.000 2.167 444 Q HA 0.094 4.433 4.340 -0.002 0.000 0.202 444 Q C 1.794 177.857 176.000 0.106 0.000 0.970 444 Q CA 1.182 57.033 55.803 0.079 0.000 0.855 444 Q CB -0.799 28.021 28.738 0.138 0.000 0.911 444 Q HN 0.716 nan 8.270 nan 0.000 0.438 445 F N 0.192 119.992 119.950 -0.251 0.000 2.113 445 F HA -0.171 4.355 4.527 -0.002 0.000 0.297 445 F C 1.809 177.355 175.800 -0.424 0.000 1.103 445 F CA 1.742 59.456 58.000 -0.476 0.000 1.248 445 F CB -0.159 38.152 39.000 -1.149 0.000 0.999 445 F HN 0.251 nan 8.300 nan 0.000 0.475 446 D N -0.556 119.471 120.400 -0.621 0.000 2.144 446 D HA -0.228 4.411 4.640 -0.002 0.000 0.199 446 D C 2.282 178.474 176.300 -0.180 0.000 0.984 446 D CA 1.540 55.256 54.000 -0.474 0.000 0.834 446 D CB -0.228 40.388 40.800 -0.307 0.000 0.955 446 D HN 0.266 nan 8.370 nan 0.000 0.465 447 S N -1.037 114.609 115.700 -0.089 0.000 2.355 447 S HA -0.144 4.325 4.470 -0.002 0.000 0.222 447 S C 1.784 176.408 174.600 0.040 0.000 1.031 447 S CA 1.038 59.231 58.200 -0.012 0.000 0.993 447 S CB -0.702 62.499 63.200 0.002 0.000 0.859 447 S HN 0.549 nan 8.310 nan 0.000 0.453 448 W N 2.187 123.400 121.300 -0.146 0.000 2.333 448 W HA -0.096 4.563 4.660 -0.002 0.000 0.316 448 W C 1.858 178.301 176.519 -0.128 0.000 1.215 448 W CA 1.237 58.518 57.345 -0.106 0.000 1.278 448 W CB -1.115 28.303 29.460 -0.070 0.000 1.154 448 W HN 0.357 nan 8.180 nan 0.000 0.486 449 L N 0.199 121.451 121.223 0.047 0.000 2.042 449 L HA -0.254 4.085 4.340 -0.002 0.000 0.210 449 L C 2.821 179.701 176.870 0.016 0.000 1.076 449 L CA 2.063 56.865 54.840 -0.063 0.000 0.749 449 L CB -1.003 40.816 42.059 -0.399 0.000 0.893 449 L HN -0.054 nan 8.230 nan 0.000 0.432 450 R N 0.210 120.693 120.500 -0.029 0.000 2.073 450 R HA -0.105 4.234 4.340 -0.002 0.000 0.229 450 R C 2.296 178.581 176.300 -0.025 0.000 1.120 450 R CA 1.333 57.412 56.100 -0.035 0.000 0.967 450 R CB -0.463 29.826 30.300 -0.019 0.000 0.862 450 R HN 0.348 nan 8.270 nan 0.000 0.436 451 G N -0.304 108.487 108.800 -0.015 0.000 2.422 451 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.218 451 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.218 451 G C 1.467 176.351 174.900 -0.026 0.000 1.146 451 G CA 1.334 46.404 45.100 -0.051 0.000 0.769 451 G HN 0.559 nan 8.290 nan 0.000 0.547 452 T N -1.293 113.306 114.554 0.074 0.000 2.896 452 T HA 0.060 4.410 4.350 -0.002 0.000 0.263 452 T C 2.286 177.059 174.700 0.122 0.000 1.050 452 T CA 0.648 62.821 62.100 0.121 0.000 1.140 452 T CB -0.183 68.871 68.868 0.311 0.000 0.877 452 T HN 0.239 nan 8.240 nan 0.000 0.457 453 R N 1.368 121.944 120.500 0.127 0.000 2.091 453 R HA 0.090 4.429 4.340 -0.002 0.000 0.238 453 R C 2.848 179.198 176.300 0.084 0.000 1.136 453 R CA 1.336 57.516 56.100 0.133 0.000 0.959 453 R CB -0.746 29.562 30.300 0.014 0.000 0.856 453 R HN 0.533 nan 8.270 nan 0.000 0.437 454 A N 1.388 124.199 122.820 -0.014 0.000 2.178 454 A HA -0.125 4.194 4.320 -0.002 0.000 0.218 454 A C 1.422 178.971 177.584 -0.058 0.000 1.157 454 A CA 1.121 53.115 52.037 -0.071 0.000 0.689 454 A CB -0.317 18.585 19.000 -0.163 0.000 0.787 454 A HN 0.276 nan 8.150 nan 0.000 0.465 455 N N -1.248 117.345 118.700 -0.178 0.000 2.494 455 N HA 0.050 4.789 4.740 -0.002 0.000 0.182 455 N C -0.547 174.652 175.510 -0.517 0.000 1.076 455 N CA 0.688 53.495 53.050 -0.406 0.000 0.908 455 N CB -0.039 38.018 38.487 -0.716 0.000 0.967 455 N HN 0.650 nan 8.380 nan 0.000 0.449 456 Y N -0.519 119.801 120.300 0.033 0.000 2.570 456 Y HA 0.470 5.019 4.550 -0.002 0.000 0.345 456 Y C -2.239 173.624 175.900 -0.061 0.000 1.014 456 Y CA -2.533 55.515 58.100 -0.087 0.000 1.063 456 Y CB 1.313 39.755 38.460 -0.031 0.000 1.272 456 Y HN -0.212 nan 8.280 nan 0.000 0.477 457 P HA 0.117 nan 4.420 nan 0.000 0.274 457 P C 0.424 177.808 177.300 0.140 0.000 1.246 457 P CA 0.062 63.226 63.100 0.107 0.000 0.795 457 P CB 0.798 32.547 31.700 0.082 0.000 1.006 458 T N 0.265 114.908 114.554 0.149 0.000 2.684 458 T HA -0.198 4.151 4.350 -0.002 0.000 0.267 458 T C 1.466 176.148 174.700 -0.030 0.000 1.036 458 T CA 2.212 64.354 62.100 0.070 0.000 1.148 458 T CB -1.196 67.718 68.868 0.077 0.000 0.863 458 T HN 0.653 nan 8.240 nan 0.000 0.436 459 N N 1.034 119.689 118.700 -0.075 0.000 2.223 459 N HA -0.097 4.642 4.740 -0.002 0.000 0.185 459 N C 1.745 177.131 175.510 -0.206 0.000 1.016 459 N CA 0.887 53.827 53.050 -0.183 0.000 0.863 459 N CB -0.483 37.827 38.487 -0.296 0.000 0.983 459 N HN 0.191 nan 8.380 nan 0.000 0.429 460 V N 1.283 121.114 119.914 -0.139 0.000 2.358 460 V HA -0.208 3.911 4.120 -0.002 0.000 0.246 460 V C 2.555 178.527 176.094 -0.203 0.000 1.047 460 V CA 1.625 63.842 62.300 -0.138 0.000 1.035 460 V CB -0.692 31.121 31.823 -0.018 0.000 0.658 460 V HN 0.368 nan 8.190 nan 0.000 0.452 461 Q N -0.137 119.584 119.800 -0.131 0.000 2.061 461 Q HA -0.274 4.065 4.340 -0.002 0.000 0.204 461 Q C 2.238 178.109 176.000 -0.214 0.000 0.984 461 Q CA 1.813 57.527 55.803 -0.148 0.000 0.846 461 Q CB -0.250 28.443 28.738 -0.075 0.000 0.902 461 Q HN 0.702 nan 8.270 nan 0.000 0.421 462 Q N -0.258 119.423 119.800 -0.198 0.000 2.437 462 Q HA -0.012 4.327 4.340 -0.002 0.000 0.210 462 Q C 1.232 177.088 176.000 -0.240 0.000 0.972 462 Q CA 0.830 56.503 55.803 -0.216 0.000 0.903 462 Q CB 0.319 28.947 28.738 -0.184 0.000 0.967 462 Q HN 0.137 nan 8.270 nan 0.000 0.486 463 S N -0.470 115.079 115.700 -0.253 0.000 2.539 463 S HA 0.175 4.644 4.470 -0.002 0.000 0.221 463 S C 0.406 174.849 174.600 -0.262 0.000 0.987 463 S CA -0.210 57.826 58.200 -0.273 0.000 0.929 463 S CB 0.367 63.396 63.200 -0.284 0.000 0.832 463 S HN 0.228 nan 8.310 nan 0.000 0.492 464 M N 1.874 121.312 119.600 -0.271 0.000 2.249 464 M HA 0.155 4.634 4.480 -0.002 0.000 0.340 464 M C 0.082 176.217 176.300 -0.276 0.000 1.166 464 M CA 0.465 55.599 55.300 -0.276 0.000 1.115 464 M CB -0.411 32.018 32.600 -0.285 0.000 1.606 464 M HN 0.247 nan 8.290 nan 0.000 0.448 465 M N 4.389 123.839 119.600 -0.250 0.000 2.201 465 M HA 0.128 4.607 4.480 -0.002 0.000 0.345 465 M C -0.784 175.292 176.300 -0.373 0.000 1.352 465 M CA -0.133 55.041 55.300 -0.210 0.000 1.218 465 M CB -0.136 32.407 32.600 -0.095 0.000 1.512 465 M HN 0.406 nan 8.290 nan 0.000 0.447 466 N N 7.284 125.687 118.700 -0.496 0.000 2.589 466 N HA 0.339 5.078 4.740 -0.002 0.000 0.232 466 N C -1.452 173.700 175.510 -0.596 0.000 1.015 466 N CA -0.032 52.440 53.050 -0.964 0.000 0.931 466 N CB 0.232 37.734 38.487 -1.641 0.000 1.150 466 N HN 0.490 nan 8.380 nan 0.000 0.512 467 F N -1.085 118.805 119.950 -0.100 0.000 2.522 467 F HA 0.533 5.059 4.527 -0.002 0.000 0.324 467 F C 0.958 176.908 175.800 0.249 0.000 1.077 467 F CA -1.140 56.892 58.000 0.054 0.000 0.944 467 F CB 1.205 40.163 39.000 -0.070 0.000 1.175 467 F HN 0.013 nan 8.300 nan 0.000 0.468 468 L N 0.891 122.357 121.223 0.406 0.000 2.240 468 L HA 0.142 4.481 4.340 -0.002 0.000 0.211 468 L C 0.138 177.217 176.870 0.349 0.000 1.106 468 L CA 0.700 55.691 54.840 0.252 0.000 0.793 468 L CB -0.435 41.601 42.059 -0.038 0.000 0.927 468 L HN 0.760 nan 8.230 nan 0.000 0.446 469 S N -0.811 115.109 115.700 0.367 0.000 2.615 469 S HA 0.558 5.027 4.470 -0.002 0.000 0.269 469 S C -1.122 173.354 174.600 -0.207 0.000 1.161 469 S CA -1.017 57.309 58.200 0.211 0.000 0.817 469 S CB 2.189 65.525 63.200 0.228 0.000 1.131 469 S HN 0.301 nan 8.310 nan 0.000 0.467 470 N N -0.540 117.780 118.700 -0.633 0.000 3.243 470 N HA 0.211 4.950 4.740 -0.002 0.000 0.280 470 N C 0.253 175.089 175.510 -1.124 0.000 1.545 470 N CA -0.660 51.561 53.050 -1.381 0.000 0.854 470 N CB -0.251 37.446 38.487 -1.318 0.000 1.612 470 N HN 0.767 nan 8.380 nan 0.000 0.577 471 H N -1.415 117.116 119.070 -0.899 0.000 2.561 471 H HA 0.118 4.674 4.556 -0.002 0.000 0.278 471 H C -0.645 174.612 175.328 -0.119 0.000 1.014 471 H CA 0.962 56.846 56.048 -0.274 0.000 1.211 471 H CB -0.159 29.621 29.762 0.029 0.000 1.365 471 H HN 0.485 nan 8.280 nan 0.000 0.594 472 D N 0.818 120.896 120.400 -0.536 0.000 2.398 472 D HA 0.210 4.849 4.640 -0.002 0.000 0.210 472 D C 1.152 177.464 176.300 0.020 0.000 1.094 472 D CA 0.060 53.931 54.000 -0.214 0.000 0.839 472 D CB 1.031 41.751 40.800 -0.134 0.000 0.963 472 D HN 0.581 nan 8.370 nan 0.000 0.506 473 I N -2.408 118.165 120.570 0.004 0.000 3.239 473 I HA 0.465 4.634 4.170 -0.002 0.000 0.314 473 I C 0.264 176.441 176.117 0.100 0.000 1.126 473 I CA -1.052 60.327 61.300 0.131 0.000 0.973 473 I CB 1.719 39.857 38.000 0.230 0.000 1.252 473 I HN -0.266 nan 8.210 nan 0.000 0.463 474 T N 0.275 114.916 114.554 0.145 0.000 2.856 474 T HA 0.316 4.665 4.350 -0.002 0.000 0.306 474 T C 0.399 175.168 174.700 0.116 0.000 1.062 474 T CA -0.602 61.561 62.100 0.104 0.000 1.083 474 T CB 0.558 69.480 68.868 0.090 0.000 0.984 474 T HN 0.539 nan 8.240 nan 0.000 0.542 475 R N 1.134 121.685 120.500 0.086 0.000 2.594 475 R HA 0.168 4.507 4.340 -0.002 0.000 0.272 475 R C 0.968 177.343 176.300 0.125 0.000 1.074 475 R CA -0.356 55.809 56.100 0.109 0.000 1.105 475 R CB 0.011 30.334 30.300 0.039 0.000 1.008 475 R HN 0.851 nan 8.270 nan 0.000 0.472 476 F N 2.359 122.334 119.950 0.041 0.000 2.134 476 F HA -0.220 4.306 4.527 -0.001 0.000 0.299 476 F C 2.012 177.808 175.800 -0.006 0.000 1.097 476 F CA 2.158 60.177 58.000 0.031 0.000 1.264 476 F CB -0.057 38.971 39.000 0.047 0.000 1.001 476 F HN 0.677 nan 8.300 nan 0.000 0.479 477 A N -1.127 121.776 122.820 0.138 0.000 2.070 477 A HA -0.134 4.185 4.320 -0.002 0.000 0.220 477 A C 2.140 179.684 177.584 -0.068 0.000 1.159 477 A CA 2.074 54.128 52.037 0.027 0.000 0.656 477 A CB -1.211 17.813 19.000 0.041 0.000 0.800 477 A HN 0.441 nan 8.150 nan 0.000 0.453 478 T N -0.875 113.643 114.554 -0.060 0.000 2.851 478 T HA -0.034 4.315 4.350 -0.002 0.000 0.262 478 T C 2.052 176.685 174.700 -0.112 0.000 1.043 478 T CA 1.111 63.172 62.100 -0.064 0.000 1.140 478 T CB -0.148 68.704 68.868 -0.026 0.000 0.872 478 T HN 0.498 nan 8.240 nan 0.000 0.446 479 R N 0.982 121.387 120.500 -0.160 0.000 2.152 479 R HA 0.036 4.375 4.340 -0.002 0.000 0.232 479 R C 2.370 178.489 176.300 -0.302 0.000 1.117 479 R CA 1.092 57.063 56.100 -0.215 0.000 0.981 479 R CB -0.114 30.039 30.300 -0.246 0.000 0.870 479 R HN 0.175 nan 8.270 nan 0.000 0.451 480 S N -0.689 114.781 115.700 -0.384 0.000 2.562 480 S HA 0.073 4.542 4.470 -0.002 0.000 0.221 480 S C 1.108 175.581 174.600 -0.212 0.000 0.975 480 S CA 0.669 58.652 58.200 -0.362 0.000 0.918 480 S CB 0.742 63.709 63.200 -0.389 0.000 0.772 480 S HN 0.654 nan 8.310 nan 0.000 0.531 481 G N 0.918 109.623 108.800 -0.158 0.000 2.179 481 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.257 481 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.257 481 G C 0.887 175.732 174.900 -0.091 0.000 1.010 481 G CA 0.275 45.309 45.100 -0.110 0.000 0.736 481 G HN 1.343 nan 8.290 nan 0.000 0.513 482 G N -0.887 107.862 108.800 -0.085 0.000 2.157 482 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.248 482 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.248 482 G C 0.170 175.033 174.900 -0.062 0.000 0.979 482 G CA 0.893 45.960 45.100 -0.054 0.000 0.650 482 G HN 1.431 nan 8.290 nan 0.000 0.529 483 D N 0.878 121.217 120.400 -0.101 0.000 2.383 483 D HA 0.272 4.911 4.640 -0.002 0.000 0.245 483 D C 1.723 177.975 176.300 -0.080 0.000 1.263 483 D CA -0.462 53.464 54.000 -0.125 0.000 0.936 483 D CB -0.016 40.664 40.800 -0.200 0.000 1.053 483 D HN 0.181 nan 8.370 nan 0.000 0.507 484 L N 3.055 124.253 121.223 -0.040 0.000 2.127 484 L HA -0.159 4.180 4.340 -0.002 0.000 0.211 484 L C 1.319 178.026 176.870 -0.272 0.000 1.089 484 L CA 0.930 55.731 54.840 -0.066 0.000 0.757 484 L CB -0.102 41.935 42.059 -0.035 0.000 0.899 484 L HN 0.525 nan 8.230 nan 0.000 0.434 485 W N 0.338 121.267 121.300 -0.618 0.000 2.374 485 W HA -0.157 4.502 4.660 -0.001 0.000 0.288 485 W C 2.518 178.907 176.519 -0.217 0.000 1.218 485 W CA 0.696 57.661 57.345 -0.633 0.000 1.245 485 W CB -0.427 28.884 29.460 -0.247 0.000 1.126 485 W HN 0.030 nan 8.180 nan 0.000 0.545 486 K N -0.795 119.571 120.400 -0.056 0.000 2.147 486 K HA -0.113 4.206 4.320 -0.002 0.000 0.205 486 K C 1.823 178.609 176.600 0.309 0.000 1.049 486 K CA 1.713 57.984 56.287 -0.027 0.000 0.936 486 K CB -0.469 31.933 32.500 -0.163 0.000 0.722 486 K HN 0.056 nan 8.250 nan 0.000 0.446 487 T N 0.466 115.194 114.554 0.290 0.000 2.857 487 T HA -0.082 4.267 4.350 -0.002 0.000 0.266 487 T C 1.553 176.404 174.700 0.252 0.000 1.048 487 T CA 0.878 63.131 62.100 0.255 0.000 1.139 487 T CB -0.237 68.767 68.868 0.226 0.000 0.874 487 T HN 0.292 nan 8.240 nan 0.000 0.455 488 Y N 0.569 120.958 120.300 0.149 0.000 2.070 488 Y HA -0.188 4.361 4.550 -0.001 0.000 0.280 488 Y C 2.498 178.448 175.900 0.084 0.000 1.148 488 Y CA 0.431 58.599 58.100 0.112 0.000 1.125 488 Y CB -0.366 38.196 38.460 0.170 0.000 0.975 488 Y HN 0.124 nan 8.280 nan 0.000 0.492 489 L N 0.607 122.035 121.223 0.343 0.000 2.012 489 L HA -0.214 4.125 4.340 -0.002 0.000 0.210 489 L C 2.501 179.522 176.870 0.252 0.000 1.073 489 L CA 2.020 57.022 54.840 0.270 0.000 0.748 489 L CB -1.099 41.137 42.059 0.295 0.000 0.891 489 L HN 0.153 nan 8.230 nan 0.000 0.431 490 A N -0.660 122.264 122.820 0.174 0.000 1.908 490 A HA -0.208 4.111 4.320 -0.002 0.000 0.218 490 A C 2.289 179.961 177.584 0.147 0.000 1.181 490 A CA 2.156 54.234 52.037 0.069 0.000 0.627 490 A CB -0.935 17.796 19.000 -0.448 0.000 0.818 490 A HN 0.527 nan 8.150 nan 0.000 0.445 491 L N -0.741 120.545 121.223 0.105 0.000 2.056 491 L HA -0.163 4.176 4.340 -0.002 0.000 0.207 491 L C 2.504 179.457 176.870 0.138 0.000 1.078 491 L CA 1.236 56.145 54.840 0.115 0.000 0.749 491 L CB -0.489 41.627 42.059 0.095 0.000 0.901 491 L HN 0.386 nan 8.230 nan 0.000 0.433 492 I N -0.952 119.695 120.570 0.128 0.000 2.179 492 I HA -0.341 3.828 4.170 -0.002 0.000 0.242 492 I C 2.503 178.760 176.117 0.232 0.000 1.088 492 I CA 1.478 62.839 61.300 0.102 0.000 1.357 492 I CB -0.367 37.639 38.000 0.011 0.000 1.051 492 I HN 0.148 nan 8.210 nan 0.000 0.409 493 F N 1.628 121.720 119.950 0.237 0.000 2.069 493 F HA -0.309 4.218 4.527 -0.001 0.000 0.298 493 F C 2.725 178.748 175.800 0.373 0.000 1.113 493 F CA 2.158 60.377 58.000 0.364 0.000 1.214 493 F CB -0.613 38.626 39.000 0.398 0.000 0.978 493 F HN 0.040 nan 8.300 nan 0.000 0.474 494 Q N -0.368 119.617 119.800 0.309 0.000 2.077 494 Q HA -0.242 4.097 4.340 -0.002 0.000 0.206 494 Q C 2.005 178.045 176.000 0.068 0.000 0.989 494 Q CA 2.086 58.046 55.803 0.262 0.000 0.853 494 Q CB -0.173 28.779 28.738 0.355 0.000 0.907 494 Q HN 0.353 nan 8.270 nan 0.000 0.418 495 M N 0.085 119.733 119.600 0.081 0.000 2.630 495 M HA -0.040 4.439 4.480 -0.002 0.000 0.254 495 M C 1.416 177.739 176.300 0.038 0.000 1.092 495 M CA 1.283 56.611 55.300 0.047 0.000 1.087 495 M CB -0.364 32.267 32.600 0.052 0.000 1.453 495 M HN 0.338 nan 8.290 nan 0.000 0.509 496 T N -4.549 110.035 114.554 0.050 0.000 3.091 496 T HA 0.142 4.491 4.350 -0.002 0.000 0.277 496 T C 0.128 174.909 174.700 0.135 0.000 0.996 496 T CA -0.434 61.723 62.100 0.094 0.000 0.897 496 T CB -0.010 68.944 68.868 0.143 0.000 1.109 496 T HN 0.099 nan 8.240 nan 0.000 0.534 497 Y N 1.528 121.707 120.300 -0.202 0.000 2.436 497 Y HA 0.639 5.188 4.550 -0.001 0.000 0.336 497 Y C -0.143 175.662 175.900 -0.159 0.000 1.318 497 Y CA -1.997 55.929 58.100 -0.290 0.000 1.493 497 Y CB 1.000 39.051 38.460 -0.682 0.000 1.547 497 Y HN -0.044 nan 8.280 nan 0.000 0.549 498 V N 2.563 121.830 119.914 -1.079 0.000 2.461 498 V HA 0.617 4.736 4.120 -0.002 0.000 0.275 498 V C 0.256 176.028 176.094 -0.537 0.000 1.047 498 V CA 0.441 62.297 62.300 -0.739 0.000 0.955 498 V CB -0.038 31.284 31.823 -0.835 0.000 0.988 498 V HN 1.037 nan 8.190 nan 0.000 0.471 499 G N 3.552 112.148 108.800 -0.340 0.000 2.459 499 G HA2 -0.032 3.927 3.960 -0.002 0.000 0.685 499 G HA3 -0.032 3.927 3.960 -0.002 0.000 0.685 499 G C -0.496 174.243 174.900 -0.269 0.000 1.303 499 G CA -0.724 44.195 45.100 -0.301 0.000 0.907 499 G HN 0.658 nan 8.290 nan 0.000 0.632 500 T N 3.292 117.694 114.554 -0.253 0.000 2.769 500 T HA 0.460 4.809 4.350 -0.002 0.000 0.293 500 T C -2.175 172.405 174.700 -0.199 0.000 0.931 500 T CA -0.142 61.842 62.100 -0.193 0.000 1.139 500 T CB 1.038 69.807 68.868 -0.166 0.000 0.881 500 T HN 0.393 nan 8.240 nan 0.000 0.532 501 P HA 0.211 nan 4.420 nan 0.000 0.267 501 P C -0.518 176.767 177.300 -0.026 0.000 1.209 501 P CA -0.118 62.916 63.100 -0.111 0.000 0.763 501 P CB 0.452 32.133 31.700 -0.033 0.000 0.816 502 T N 4.891 119.445 114.554 -0.001 0.000 2.847 502 T HA 0.466 4.815 4.350 -0.002 0.000 0.291 502 T C 0.114 174.912 174.700 0.164 0.000 0.998 502 T CA -0.332 61.832 62.100 0.108 0.000 0.967 502 T CB 0.253 69.216 68.868 0.157 0.000 0.954 502 T HN 0.170 nan 8.240 nan 0.000 0.441 503 I N 3.691 124.353 120.570 0.154 0.000 2.304 503 I HA 0.248 4.417 4.170 -0.002 0.000 0.291 503 I C -0.437 175.668 176.117 -0.021 0.000 1.018 503 I CA -0.943 60.431 61.300 0.125 0.000 1.260 503 I CB 0.527 38.665 38.000 0.230 0.000 1.390 503 I HN 0.564 nan 8.210 nan 0.000 0.475 504 Y N 9.198 129.434 120.300 -0.106 0.000 2.436 504 Y HA 0.115 4.664 4.550 -0.002 0.000 0.343 504 Y C 0.132 175.872 175.900 -0.267 0.000 1.008 504 Y CA -1.480 56.518 58.100 -0.171 0.000 1.241 504 Y CB -0.073 38.319 38.460 -0.113 0.000 1.153 504 Y HN 0.474 nan 8.280 nan 0.000 0.521 505 Y N 5.110 124.963 120.300 -0.745 0.000 2.981 505 Y HA 0.183 4.732 4.550 -0.002 0.000 0.359 505 Y C 1.050 176.831 175.900 -0.198 0.000 1.271 505 Y CA 0.492 58.297 58.100 -0.492 0.000 1.617 505 Y CB -0.285 37.966 38.460 -0.348 0.000 1.154 505 Y HN 0.961 nan 8.280 nan 0.000 0.570 506 G N 2.867 111.657 108.800 -0.016 0.000 2.349 506 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.213 506 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.213 506 G C 0.724 175.200 174.900 -0.707 0.000 1.044 506 G CA 0.243 44.985 45.100 -0.597 0.000 0.633 506 G HN 0.600 nan 8.290 nan 0.000 0.506 507 D N 1.610 121.797 120.400 -0.355 0.000 2.221 507 D HA -0.039 4.600 4.640 -0.002 0.000 0.204 507 D C 2.485 178.743 176.300 -0.070 0.000 0.982 507 D CA 1.423 55.318 54.000 -0.176 0.000 0.857 507 D CB -0.128 40.659 40.800 -0.022 0.000 0.934 507 D HN 0.767 nan 8.370 nan 0.000 0.475 508 E N 0.507 120.734 120.200 0.045 0.000 2.265 508 E HA -0.209 4.140 4.350 -0.002 0.000 0.196 508 E C 1.410 178.139 176.600 0.214 0.000 0.996 508 E CA 0.892 57.401 56.400 0.182 0.000 0.832 508 E CB -0.553 29.345 29.700 0.329 0.000 0.756 508 E HN 0.588 nan 8.360 nan 0.000 0.491 509 Y N -1.637 118.723 120.300 0.100 0.000 2.481 509 Y HA 0.605 5.154 4.550 -0.002 0.000 0.247 509 Y C 1.181 177.097 175.900 0.026 0.000 1.151 509 Y CA -0.447 57.684 58.100 0.052 0.000 1.238 509 Y CB 0.511 38.950 38.460 -0.035 0.000 1.179 509 Y HN 0.034 nan 8.280 nan 0.000 0.524 510 G N 1.257 110.007 108.800 -0.084 0.000 2.130 510 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.216 510 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.216 510 G C 0.102 174.911 174.900 -0.152 0.000 0.999 510 G CA -0.025 45.058 45.100 -0.028 0.000 0.686 510 G HN 0.531 nan 8.290 nan 0.000 0.515 511 M N 0.775 120.034 119.600 -0.569 0.000 2.251 511 M HA 0.235 4.714 4.480 -0.002 0.000 0.343 511 M C 0.757 176.934 176.300 -0.205 0.000 1.245 511 M CA 0.741 55.769 55.300 -0.454 0.000 1.061 511 M CB 0.262 32.398 32.600 -0.774 0.000 1.723 511 M HN 0.446 nan 8.290 nan 0.000 0.449 512 Q N 2.515 122.251 119.800 -0.107 0.000 2.207 512 Q HA 0.863 5.202 4.340 -0.002 0.000 0.237 512 Q C -0.378 175.584 176.000 -0.064 0.000 0.998 512 Q CA -0.736 55.031 55.803 -0.060 0.000 0.951 512 Q CB 2.034 30.755 28.738 -0.028 0.000 1.213 512 Q HN 0.953 nan 8.270 nan 0.000 0.499 513 G N -1.094 107.689 108.800 -0.029 0.000 2.308 513 G HA2 0.363 4.322 3.960 -0.002 0.000 0.288 513 G HA3 0.363 4.322 3.960 -0.002 0.000 0.288 513 G C -0.725 174.183 174.900 0.013 0.000 1.722 513 G CA -0.454 44.636 45.100 -0.018 0.000 0.924 513 G HN 0.675 nan 8.290 nan 0.000 0.732 514 G N -0.059 108.762 108.800 0.036 0.000 2.714 514 G HA2 0.839 4.798 3.960 -0.002 0.000 0.197 514 G HA3 0.839 4.798 3.960 -0.002 0.000 0.197 514 G C 0.857 175.788 174.900 0.052 0.000 1.449 514 G CA 0.572 45.703 45.100 0.053 0.000 1.065 514 G HN 1.880 nan 8.290 nan 0.000 0.575 515 A N -0.657 122.204 122.820 0.068 0.000 2.366 515 A HA 0.435 4.754 4.320 -0.002 0.000 0.249 515 A C 0.362 177.967 177.584 0.034 0.000 1.084 515 A CA -0.076 51.995 52.037 0.058 0.000 0.794 515 A CB 0.081 19.122 19.000 0.067 0.000 1.034 515 A HN 0.631 nan 8.150 nan 0.000 0.491 516 D N 0.926 121.332 120.400 0.010 0.000 2.752 516 D HA -0.038 4.601 4.640 -0.002 0.000 0.225 516 D C -1.257 175.031 176.300 -0.020 0.000 1.104 516 D CA -0.232 53.752 54.000 -0.025 0.000 0.832 516 D CB 0.665 41.457 40.800 -0.012 0.000 1.161 516 D HN 0.279 nan 8.370 nan 0.000 0.505 517 P HA 0.077 nan 4.420 nan 0.000 0.262 517 P C 0.395 177.527 177.300 -0.280 0.000 1.304 517 P CA -0.064 62.918 63.100 -0.197 0.000 0.859 517 P CB 0.432 32.010 31.700 -0.202 0.000 1.310 518 D N 1.786 122.027 120.400 -0.265 0.000 2.378 518 D HA -0.115 4.524 4.640 -0.002 0.000 0.222 518 D C 1.150 177.377 176.300 -0.121 0.000 0.980 518 D CA 0.688 54.562 54.000 -0.211 0.000 0.907 518 D CB -0.378 40.404 40.800 -0.030 0.000 0.899 518 D HN 0.117 nan 8.370 nan 0.000 0.527 519 N N -0.454 118.190 118.700 -0.094 0.000 2.383 519 N HA -0.002 4.737 4.740 -0.002 0.000 0.192 519 N C 0.042 175.527 175.510 -0.042 0.000 1.141 519 N CA 0.041 53.073 53.050 -0.030 0.000 0.851 519 N CB 0.006 38.508 38.487 0.024 0.000 0.976 519 N HN 0.061 nan 8.380 nan 0.000 0.465 520 R N 0.090 120.482 120.500 -0.180 0.000 2.776 520 R HA 0.288 4.627 4.340 -0.002 0.000 0.391 520 R C -0.356 175.794 176.300 -0.249 0.000 1.116 520 R CA -0.530 55.411 56.100 -0.265 0.000 1.056 520 R CB 0.666 30.555 30.300 -0.686 0.000 1.369 520 R HN 0.052 nan 8.270 nan 0.000 0.590 521 R N 1.094 121.454 120.500 -0.233 0.000 2.738 521 R HA 0.087 4.426 4.340 -0.002 0.000 0.268 521 R C 0.455 176.554 176.300 -0.336 0.000 1.062 521 R CA 0.137 56.047 56.100 -0.317 0.000 1.158 521 R CB 0.475 30.635 30.300 -0.233 0.000 1.046 521 R HN 0.203 nan 8.270 nan 0.000 0.493 522 S N 1.357 116.647 115.700 -0.683 0.000 2.562 522 S HA 0.048 4.517 4.470 -0.002 0.000 0.281 522 S C -0.130 174.377 174.600 -0.155 0.000 1.333 522 S CA -0.696 57.031 58.200 -0.788 0.000 1.052 522 S CB 0.402 62.559 63.200 -1.738 0.000 0.884 522 S HN 0.437 nan 8.310 nan 0.000 0.506 523 F N 2.580 122.597 119.950 0.112 0.000 2.506 523 F HA 0.192 4.718 4.527 -0.001 0.000 0.371 523 F C 0.586 176.456 175.800 0.117 0.000 1.078 523 F CA -0.401 57.697 58.000 0.163 0.000 1.195 523 F CB 0.384 39.451 39.000 0.111 0.000 1.099 523 F HN 0.705 nan 8.300 nan 0.000 0.548 524 D N 6.228 126.442 120.400 -0.310 0.000 2.453 524 D HA -0.009 4.630 4.640 -0.002 0.000 0.223 524 D C 0.438 176.474 176.300 -0.441 0.000 1.183 524 D CA -0.165 53.693 54.000 -0.235 0.000 0.933 524 D CB 0.008 40.608 40.800 -0.333 0.000 1.038 524 D HN 0.621 nan 8.370 nan 0.000 0.513 525 W N 1.936 123.319 121.300 0.138 0.000 2.468 525 W HA -0.139 4.520 4.660 -0.002 0.000 0.262 525 W C 2.483 178.969 176.519 -0.055 0.000 1.241 525 W CA 0.796 58.206 57.345 0.109 0.000 1.232 525 W CB -0.153 29.367 29.460 0.100 0.000 1.124 525 W HN 0.469 nan 8.180 nan 0.000 0.597 526 S N -0.849 114.889 115.700 0.063 0.000 2.555 526 S HA -0.145 4.324 4.470 -0.002 0.000 0.230 526 S C 1.587 176.129 174.600 -0.096 0.000 0.978 526 S CA 0.985 59.190 58.200 0.009 0.000 0.934 526 S CB -0.077 63.124 63.200 0.001 0.000 0.766 526 S HN 0.235 nan 8.310 nan 0.000 0.533 527 Q N 1.030 120.658 119.800 -0.288 0.000 2.384 527 Q HA 0.486 4.825 4.340 -0.002 0.000 0.207 527 Q C 1.105 176.967 176.000 -0.229 0.000 0.904 527 Q CA 0.526 56.077 55.803 -0.420 0.000 0.933 527 Q CB -0.064 28.012 28.738 -1.103 0.000 1.077 527 Q HN 0.652 nan 8.270 nan 0.000 0.522 528 A N 0.862 123.621 122.820 -0.101 0.000 2.958 528 A HA 0.361 4.680 4.320 -0.002 0.000 0.247 528 A C -0.070 177.640 177.584 0.209 0.000 1.679 528 A CA 0.514 52.605 52.037 0.091 0.000 1.345 528 A CB -1.072 17.880 19.000 -0.081 0.000 1.013 528 A HN 0.247 nan 8.150 nan 0.000 0.641 529 T N -4.799 109.857 114.554 0.170 0.000 2.868 529 T HA 0.535 4.884 4.350 -0.002 0.000 0.306 529 T C -2.720 172.062 174.700 0.137 0.000 1.224 529 T CA -1.372 60.824 62.100 0.160 0.000 1.012 529 T CB 1.588 70.518 68.868 0.103 0.000 1.221 529 T HN -0.105 nan 8.240 nan 0.000 0.499 530 P HA -0.049 nan 4.420 nan 0.000 0.222 530 P C 1.550 178.897 177.300 0.078 0.000 1.142 530 P CA 0.939 64.094 63.100 0.091 0.000 0.788 530 P CB -0.070 31.671 31.700 0.068 0.000 0.767 531 S N -1.235 114.509 115.700 0.073 0.000 2.400 531 S HA -0.133 4.337 4.470 -0.002 0.000 0.232 531 S C 1.131 175.776 174.600 0.075 0.000 1.025 531 S CA 0.647 58.885 58.200 0.062 0.000 0.993 531 S CB -0.950 62.280 63.200 0.050 0.000 0.808 531 S HN 0.285 nan 8.310 nan 0.000 0.478 532 N N 1.544 120.297 118.700 0.089 0.000 2.411 532 N HA 0.062 4.801 4.740 -0.002 0.000 0.259 532 N C 1.004 176.599 175.510 0.141 0.000 1.103 532 N CA 0.308 53.428 53.050 0.116 0.000 0.954 532 N CB 1.295 39.855 38.487 0.122 0.000 1.085 532 N HN 0.223 nan 8.380 nan 0.000 0.485 533 S N 3.367 119.165 115.700 0.163 0.000 2.400 533 S HA -0.167 4.302 4.470 -0.002 0.000 0.232 533 S C 1.817 176.512 174.600 0.158 0.000 1.025 533 S CA 0.994 59.284 58.200 0.150 0.000 0.993 533 S CB -0.217 63.116 63.200 0.221 0.000 0.808 533 S HN 0.610 nan 8.310 nan 0.000 0.478 534 A N 1.306 124.298 122.820 0.286 0.000 1.929 534 A HA 0.182 4.501 4.320 -0.002 0.000 0.216 534 A C 2.371 180.071 177.584 0.192 0.000 1.176 534 A CA 1.250 53.461 52.037 0.290 0.000 0.628 534 A CB -0.889 18.306 19.000 0.326 0.000 0.816 534 A HN 0.433 nan 8.150 nan 0.000 0.444 535 V N -0.059 119.979 119.914 0.207 0.000 2.358 535 V HA -0.226 3.893 4.120 -0.002 0.000 0.246 535 V C 3.042 179.215 176.094 0.131 0.000 1.047 535 V CA 1.852 64.276 62.300 0.207 0.000 1.035 535 V CB -1.146 30.829 31.823 0.253 0.000 0.658 535 V HN 0.591 nan 8.190 nan 0.000 0.452 536 A N -0.170 122.708 122.820 0.097 0.000 1.902 536 A HA -0.189 4.130 4.320 -0.002 0.000 0.217 536 A C 2.156 179.747 177.584 0.012 0.000 1.181 536 A CA 2.074 54.140 52.037 0.049 0.000 0.623 536 A CB -0.528 18.489 19.000 0.030 0.000 0.818 536 A HN 0.461 nan 8.150 nan 0.000 0.443 537 L N -0.406 120.806 121.223 -0.018 0.000 2.056 537 L HA -0.079 4.260 4.340 -0.002 0.000 0.207 537 L C 2.419 179.286 176.870 -0.004 0.000 1.078 537 L CA 2.779 57.584 54.840 -0.058 0.000 0.749 537 L CB -1.114 40.851 42.059 -0.157 0.000 0.901 537 L HN 0.343 nan 8.230 nan 0.000 0.433 538 T N -0.567 114.013 114.554 0.043 0.000 2.665 538 T HA -0.312 4.037 4.350 -0.002 0.000 0.268 538 T C 1.759 176.483 174.700 0.040 0.000 1.035 538 T CA 1.950 64.087 62.100 0.062 0.000 1.151 538 T CB -0.276 68.657 68.868 0.108 0.000 0.862 538 T HN 0.525 nan 8.240 nan 0.000 0.438 539 Q N 0.494 120.314 119.800 0.034 0.000 2.096 539 Q HA -0.232 4.107 4.340 -0.002 0.000 0.204 539 Q C 2.289 178.297 176.000 0.013 0.000 0.982 539 Q CA 1.785 57.597 55.803 0.015 0.000 0.850 539 Q CB -0.084 28.664 28.738 0.018 0.000 0.901 539 Q HN 0.237 nan 8.270 nan 0.000 0.422 540 K N 0.473 120.879 120.400 0.011 0.000 2.057 540 K HA -0.093 4.226 4.320 -0.002 0.000 0.206 540 K C 1.945 178.554 176.600 0.014 0.000 1.050 540 K CA 1.341 57.633 56.287 0.008 0.000 0.935 540 K CB -0.416 32.081 32.500 -0.004 0.000 0.715 540 K HN 0.311 nan 8.250 nan 0.000 0.439 541 L N 0.209 121.438 121.223 0.010 0.000 2.083 541 L HA -0.109 4.230 4.340 -0.002 0.000 0.209 541 L C 2.382 179.273 176.870 0.035 0.000 1.083 541 L CA 1.121 55.971 54.840 0.017 0.000 0.752 541 L CB -0.370 41.697 42.059 0.013 0.000 0.899 541 L HN 0.166 nan 8.230 nan 0.000 0.433 542 I N -0.539 120.052 120.570 0.034 0.000 2.226 542 I HA -0.265 3.904 4.170 -0.002 0.000 0.245 542 I C 2.464 178.604 176.117 0.038 0.000 1.100 542 I CA 1.424 62.746 61.300 0.037 0.000 1.374 542 I CB -0.432 37.584 38.000 0.027 0.000 1.057 542 I HN 0.253 nan 8.210 nan 0.000 0.413 543 T N 1.092 115.666 114.554 0.033 0.000 2.788 543 T HA -0.112 4.237 4.350 -0.002 0.000 0.268 543 T C 1.895 176.632 174.700 0.063 0.000 1.044 543 T CA 1.280 63.400 62.100 0.034 0.000 1.139 543 T CB -0.191 68.692 68.868 0.026 0.000 0.867 543 T HN 0.250 nan 8.240 nan 0.000 0.454 544 I N 0.392 121.012 120.570 0.083 0.000 2.202 544 I HA -0.116 4.053 4.170 -0.002 0.000 0.242 544 I C 2.832 179.066 176.117 0.196 0.000 1.091 544 I CA 1.154 62.547 61.300 0.154 0.000 1.368 544 I CB -0.290 37.773 38.000 0.106 0.000 1.058 544 I HN 0.091 nan 8.210 nan 0.000 0.410 545 R N 1.175 121.745 120.500 0.117 0.000 2.092 545 R HA -0.134 4.205 4.340 -0.002 0.000 0.231 545 R C 1.897 178.254 176.300 0.095 0.000 1.119 545 R CA 1.626 57.790 56.100 0.107 0.000 0.970 545 R CB -0.244 30.093 30.300 0.060 0.000 0.864 545 R HN 0.458 nan 8.270 nan 0.000 0.440 546 N N -0.042 118.698 118.700 0.067 0.000 2.364 546 N HA -0.207 4.532 4.740 -0.002 0.000 0.183 546 N C 1.739 177.259 175.510 0.017 0.000 1.022 546 N CA 0.767 53.841 53.050 0.041 0.000 0.883 546 N CB 0.050 38.555 38.487 0.029 0.000 0.965 546 N HN 0.378 nan 8.380 nan 0.000 0.438 547 Q N -0.017 119.798 119.800 0.025 0.000 2.212 547 Q HA -0.034 4.305 4.340 -0.002 0.000 0.199 547 Q C -0.487 175.365 176.000 -0.246 0.000 0.950 547 Q CA 0.737 56.476 55.803 -0.106 0.000 0.863 547 Q CB 0.371 29.045 28.738 -0.106 0.000 0.944 547 Q HN 0.318 nan 8.270 nan 0.000 0.465 548 Y N -0.116 120.186 120.300 0.003 0.000 2.388 548 Y HA 0.322 4.871 4.550 -0.001 0.000 0.328 548 Y C -1.951 173.946 175.900 -0.005 0.000 0.963 548 Y CA -2.645 55.456 58.100 0.003 0.000 1.240 548 Y CB 1.742 40.207 38.460 0.009 0.000 1.118 548 Y HN 0.120 nan 8.280 nan 0.000 0.484 549 P HA -0.225 nan 4.420 nan 0.000 0.219 549 P C 1.338 178.667 177.300 0.049 0.000 1.146 549 P CA 1.908 65.034 63.100 0.044 0.000 0.808 549 P CB 0.374 32.079 31.700 0.008 0.000 0.779 550 A N -0.652 122.224 122.820 0.095 0.000 1.978 550 A HA -0.167 4.152 4.320 -0.002 0.000 0.220 550 A C 2.056 179.668 177.584 0.047 0.000 1.170 550 A CA 1.359 53.434 52.037 0.063 0.000 0.636 550 A CB -1.558 17.506 19.000 0.106 0.000 0.810 550 A HN 0.171 nan 8.150 nan 0.000 0.448 551 L N -1.977 119.288 121.223 0.070 0.000 2.395 551 L HA -0.049 4.290 4.340 -0.002 0.000 0.218 551 L C 2.635 179.508 176.870 0.005 0.000 1.130 551 L CA 0.855 55.722 54.840 0.045 0.000 0.826 551 L CB -0.195 41.898 42.059 0.056 0.000 0.941 551 L HN 0.300 nan 8.230 nan 0.000 0.451 552 R N -0.864 119.633 120.500 -0.006 0.000 2.146 552 R HA 0.031 4.371 4.340 -0.002 0.000 0.206 552 R C 1.545 177.800 176.300 -0.076 0.000 1.049 552 R CA 1.322 57.392 56.100 -0.050 0.000 1.029 552 R CB 0.101 30.377 30.300 -0.040 0.000 0.949 552 R HN 0.268 nan 8.270 nan 0.000 0.471 553 T N -3.323 111.196 114.554 -0.059 0.000 3.209 553 T HA 0.345 4.694 4.350 -0.002 0.000 0.295 553 T C 0.681 175.337 174.700 -0.074 0.000 0.977 553 T CA -0.294 61.761 62.100 -0.075 0.000 0.922 553 T CB 0.829 69.650 68.868 -0.077 0.000 1.152 553 T HN 0.158 nan 8.240 nan 0.000 0.527 554 G N 1.066 109.827 108.800 -0.065 0.000 2.580 554 G HA2 0.525 4.484 3.960 -0.002 0.000 0.278 554 G HA3 0.525 4.484 3.960 -0.002 0.000 0.278 554 G C -0.184 174.639 174.900 -0.129 0.000 1.212 554 G CA -0.541 44.490 45.100 -0.114 0.000 0.939 554 G HN 0.329 nan 8.290 nan 0.000 0.513 555 S N -1.255 114.259 115.700 -0.309 0.000 2.608 555 S HA 0.410 4.879 4.470 -0.002 0.000 0.261 555 S C -0.860 173.759 174.600 0.032 0.000 1.314 555 S CA 0.099 58.182 58.200 -0.194 0.000 0.992 555 S CB 0.751 63.679 63.200 -0.453 0.000 0.935 555 S HN 0.434 nan 8.310 nan 0.000 0.564 556 F N 1.911 121.935 119.950 0.125 0.000 2.536 556 F HA 0.628 5.154 4.527 -0.002 0.000 0.322 556 F C -0.645 175.369 175.800 0.356 0.000 1.144 556 F CA -0.729 57.395 58.000 0.206 0.000 0.924 556 F CB 1.119 40.170 39.000 0.087 0.000 1.181 556 F HN 0.450 nan 8.300 nan 0.000 0.438 557 M N 5.887 125.498 119.600 0.018 0.000 2.263 557 M HA 0.389 4.868 4.480 -0.002 0.000 0.295 557 M C -1.201 175.053 176.300 -0.077 0.000 1.028 557 M CA -0.288 55.069 55.300 0.095 0.000 0.921 557 M CB 1.868 34.344 32.600 -0.207 0.000 1.601 557 M HN 0.617 nan 8.290 nan 0.000 0.440 558 T N 5.718 120.382 114.554 0.184 0.000 2.870 558 T HA 0.292 4.641 4.350 -0.002 0.000 0.300 558 T C 0.996 175.744 174.700 0.081 0.000 0.989 558 T CA -0.115 62.113 62.100 0.213 0.000 1.139 558 T CB 0.590 69.672 68.868 0.356 0.000 0.920 558 T HN 0.664 nan 8.240 nan 0.000 0.537 559 L N 2.773 124.017 121.223 0.035 0.000 2.526 559 L HA 0.484 4.823 4.340 -0.002 0.000 0.210 559 L C 0.303 177.194 176.870 0.036 0.000 1.048 559 L CA 0.388 55.202 54.840 -0.042 0.000 0.852 559 L CB 0.314 42.285 42.059 -0.147 0.000 1.128 559 L HN 0.497 nan 8.230 nan 0.000 0.482 560 I N 0.088 120.727 120.570 0.114 0.000 2.571 560 I HA 0.219 4.388 4.170 -0.002 0.000 0.289 560 I C -0.864 175.420 176.117 0.278 0.000 1.115 560 I CA -0.248 61.145 61.300 0.154 0.000 1.045 560 I CB 2.346 40.411 38.000 0.107 0.000 1.238 560 I HN -0.046 nan 8.210 nan 0.000 0.424 561 T N -0.127 114.554 114.554 0.210 0.000 3.226 561 T HA 0.283 4.632 4.350 -0.002 0.000 0.378 561 T C -0.896 173.880 174.700 0.126 0.000 1.380 561 T CA -0.677 61.532 62.100 0.181 0.000 1.396 561 T CB 0.604 69.542 68.868 0.116 0.000 1.044 561 T HN 0.423 nan 8.240 nan 0.000 0.586 562 D N 1.978 122.456 120.400 0.131 0.000 2.454 562 D HA 0.233 4.872 4.640 -0.002 0.000 0.225 562 D C 0.312 176.660 176.300 0.080 0.000 1.081 562 D CA -0.559 53.491 54.000 0.085 0.000 0.864 562 D CB 1.067 41.899 40.800 0.054 0.000 1.040 562 D HN 0.355 nan 8.370 nan 0.000 0.517 563 D N 2.147 122.591 120.400 0.073 0.000 2.347 563 D HA -0.061 4.578 4.640 -0.002 0.000 0.215 563 D C 1.236 177.564 176.300 0.047 0.000 0.976 563 D CA 0.594 54.639 54.000 0.076 0.000 0.884 563 D CB 0.581 41.425 40.800 0.073 0.000 0.915 563 D HN 0.409 nan 8.370 nan 0.000 0.526 564 T N 1.025 115.595 114.554 0.026 0.000 2.809 564 T HA -0.040 4.309 4.350 -0.002 0.000 0.260 564 T C 1.493 176.181 174.700 -0.021 0.000 1.039 564 T CA 0.672 62.780 62.100 0.013 0.000 1.141 564 T CB 0.108 68.985 68.868 0.015 0.000 0.869 564 T HN 0.117 nan 8.240 nan 0.000 0.437 565 N N 0.740 119.373 118.700 -0.111 0.000 2.236 565 N HA 0.052 4.792 4.740 -0.002 0.000 0.196 565 N C -0.302 175.066 175.510 -0.237 0.000 1.114 565 N CA 0.143 52.974 53.050 -0.365 0.000 0.859 565 N CB 0.431 38.435 38.487 -0.805 0.000 0.982 565 N HN 0.204 nan 8.380 nan 0.000 0.493 566 K N 0.539 120.918 120.400 -0.034 0.000 3.117 566 K HA -0.146 4.173 4.320 -0.002 0.000 0.269 566 K C -0.528 176.167 176.600 0.157 0.000 1.098 566 K CA 0.561 56.896 56.287 0.079 0.000 0.785 566 K CB -2.007 30.506 32.500 0.022 0.000 1.242 566 K HN 0.225 nan 8.250 nan 0.000 0.491 567 I N 0.885 121.537 120.570 0.137 0.000 2.336 567 I HA 0.278 4.447 4.170 -0.002 0.000 0.292 567 I C 0.235 176.564 176.117 0.353 0.000 0.991 567 I CA -0.697 60.725 61.300 0.204 0.000 1.227 567 I CB 0.933 38.985 38.000 0.086 0.000 1.366 567 I HN 0.151 nan 8.210 nan 0.000 0.466 568 Y N 5.157 125.615 120.300 0.264 0.000 2.326 568 Y HA 0.463 5.012 4.550 -0.001 0.000 0.329 568 Y C -0.406 175.619 175.900 0.208 0.000 0.973 568 Y CA -0.406 57.850 58.100 0.260 0.000 1.162 568 Y CB 1.591 40.235 38.460 0.307 0.000 1.147 568 Y HN 0.606 nan 8.280 nan 0.000 0.456 569 S N 6.121 121.887 115.700 0.109 0.000 2.521 569 S HA 0.694 5.163 4.470 -0.002 0.000 0.295 569 S C -1.719 172.742 174.600 -0.230 0.000 1.098 569 S CA -0.347 57.733 58.200 -0.199 0.000 0.999 569 S CB 0.837 63.972 63.200 -0.109 0.000 1.034 569 S HN 0.695 nan 8.310 nan 0.000 0.483 570 Y N 0.293 120.365 120.300 -0.381 0.000 2.571 570 Y HA 0.814 5.363 4.550 -0.002 0.000 0.341 570 Y C -0.096 175.538 175.900 -0.443 0.000 1.076 570 Y CA -1.222 56.585 58.100 -0.488 0.000 1.029 570 Y CB 0.668 38.656 38.460 -0.786 0.000 1.308 570 Y HN 0.702 nan 8.280 nan 0.000 0.461 571 G N 1.969 110.598 108.800 -0.284 0.000 2.400 571 G HA2 0.702 4.661 3.960 -0.002 0.000 0.333 571 G HA3 0.702 4.661 3.960 -0.002 0.000 0.333 571 G C -1.166 173.744 174.900 0.016 0.000 1.143 571 G CA -1.228 43.763 45.100 -0.181 0.000 0.914 571 G HN 0.483 nan 8.290 nan 0.000 0.480 572 R N 0.679 121.260 120.500 0.135 0.000 2.476 572 R HA 0.518 4.857 4.340 -0.002 0.000 0.305 572 R C -1.223 175.259 176.300 0.302 0.000 0.965 572 R CA -0.730 55.484 56.100 0.189 0.000 0.867 572 R CB 1.125 31.487 30.300 0.103 0.000 1.176 572 R HN 0.684 nan 8.270 nan 0.000 0.447 573 F N -0.689 119.252 119.950 -0.015 0.000 2.678 573 F HA 0.644 5.170 4.527 -0.002 0.000 0.308 573 F C -0.920 174.882 175.800 0.002 0.000 1.118 573 F CA -1.155 56.837 58.000 -0.014 0.000 0.959 573 F CB 1.664 40.638 39.000 -0.042 0.000 1.305 573 F HN 0.381 nan 8.300 nan 0.000 0.443 574 D N -0.191 120.223 120.400 0.024 0.000 2.904 574 D HA 0.259 4.898 4.640 -0.002 0.000 0.290 574 D C -0.031 176.264 176.300 -0.009 0.000 1.180 574 D CA -0.650 53.301 54.000 -0.082 0.000 1.065 574 D CB 0.285 41.046 40.800 -0.066 0.000 1.386 574 D HN 0.529 nan 8.370 nan 0.000 0.599 575 N N -1.426 117.238 118.700 -0.059 0.000 2.364 575 N HA -0.085 4.654 4.740 -0.002 0.000 0.183 575 N C 1.100 176.612 175.510 0.004 0.000 1.022 575 N CA 1.282 54.305 53.050 -0.046 0.000 0.883 575 N CB 0.104 38.543 38.487 -0.080 0.000 0.965 575 N HN 0.278 nan 8.380 nan 0.000 0.438 576 V N -0.855 119.072 119.914 0.022 0.000 2.627 576 V HA 0.190 4.309 4.120 -0.002 0.000 0.239 576 V C 0.150 176.293 176.094 0.081 0.000 1.077 576 V CA 0.641 62.965 62.300 0.041 0.000 1.103 576 V CB -0.312 31.527 31.823 0.027 0.000 0.802 576 V HN 0.202 nan 8.190 nan 0.000 0.482 577 N N 0.014 118.783 118.700 0.115 0.000 2.417 577 N HA 0.646 5.385 4.740 -0.002 0.000 0.300 577 N C -0.689 174.915 175.510 0.155 0.000 1.102 577 N CA -0.560 52.587 53.050 0.161 0.000 0.886 577 N CB 1.382 40.038 38.487 0.281 0.000 1.203 577 N HN 0.176 nan 8.380 nan 0.000 0.496 578 R N 1.358 121.922 120.500 0.108 0.000 2.476 578 R HA 0.547 4.886 4.340 -0.002 0.000 0.305 578 R C -1.069 175.220 176.300 -0.018 0.000 0.965 578 R CA -0.479 55.661 56.100 0.068 0.000 0.867 578 R CB 1.409 31.707 30.300 -0.002 0.000 1.176 578 R HN 0.476 nan 8.270 nan 0.000 0.447 579 I N 1.905 122.450 120.570 -0.041 0.000 2.466 579 I HA 0.472 4.641 4.170 -0.002 0.000 0.289 579 I C -0.381 175.636 176.117 -0.167 0.000 1.026 579 I CA -0.885 60.334 61.300 -0.135 0.000 1.078 579 I CB 2.222 40.108 38.000 -0.190 0.000 1.249 579 I HN 0.602 nan 8.210 nan 0.000 0.429 580 A N 6.727 129.426 122.820 -0.201 0.000 2.267 580 A HA 0.691 5.010 4.320 -0.002 0.000 0.315 580 A C -0.513 176.890 177.584 -0.302 0.000 1.297 580 A CA -0.483 51.401 52.037 -0.256 0.000 0.865 580 A CB 0.720 19.588 19.000 -0.219 0.000 1.165 580 A HN 0.454 nan 8.150 nan 0.000 0.513 581 V N 3.305 122.938 119.914 -0.469 0.000 2.465 581 V HA 0.356 4.475 4.120 -0.002 0.000 0.279 581 V C -0.121 175.676 176.094 -0.495 0.000 1.045 581 V CA -0.277 61.708 62.300 -0.525 0.000 0.938 581 V CB 1.399 32.730 31.823 -0.821 0.000 0.986 581 V HN 0.574 nan 8.190 nan 0.000 0.467 582 V N 6.909 126.667 119.914 -0.260 0.000 2.376 582 V HA 0.472 4.591 4.120 -0.002 0.000 0.287 582 V C -0.230 175.862 176.094 -0.004 0.000 1.015 582 V CA -0.378 61.844 62.300 -0.130 0.000 0.834 582 V CB 1.326 33.100 31.823 -0.081 0.000 1.001 582 V HN 0.627 nan 8.190 nan 0.000 0.428 583 L N 3.822 125.105 121.223 0.100 0.000 2.334 583 L HA 0.685 5.024 4.340 -0.002 0.000 0.272 583 L C -0.185 176.864 176.870 0.298 0.000 1.020 583 L CA -0.587 54.404 54.840 0.252 0.000 0.812 583 L CB 1.905 44.237 42.059 0.455 0.000 1.264 583 L HN 0.509 nan 8.230 nan 0.000 0.439 584 N N 1.532 120.391 118.700 0.265 0.000 2.448 584 N HA 0.241 4.980 4.740 -0.002 0.000 0.279 584 N C -0.582 174.982 175.510 0.090 0.000 1.025 584 N CA -0.253 52.921 53.050 0.207 0.000 0.898 584 N CB 1.730 40.348 38.487 0.219 0.000 1.303 584 N HN 0.776 nan 8.380 nan 0.000 0.495 585 N N 1.766 120.443 118.700 -0.038 0.000 2.060 585 N HA -0.033 4.706 4.740 -0.002 0.000 0.216 585 N C -0.600 174.554 175.510 -0.593 0.000 1.047 585 N CA 0.283 53.105 53.050 -0.381 0.000 1.062 585 N CB 0.162 38.220 38.487 -0.714 0.000 1.341 585 N HN 0.590 nan 8.380 nan 0.000 0.550 586 D N 0.782 120.904 120.400 -0.463 0.000 2.540 586 D HA 0.249 4.888 4.640 -0.002 0.000 0.251 586 D C -1.135 175.039 176.300 -0.210 0.000 1.159 586 D CA -0.204 53.532 54.000 -0.440 0.000 0.974 586 D CB 0.703 41.384 40.800 -0.199 0.000 0.996 586 D HN 0.166 nan 8.370 nan 0.000 0.512 587 S N 0.578 116.169 115.700 -0.181 0.000 2.578 587 S HA 0.421 4.890 4.470 -0.002 0.000 0.272 587 S C -0.345 174.254 174.600 -0.003 0.000 1.145 587 S CA -0.569 57.630 58.200 -0.002 0.000 0.835 587 S CB 1.050 64.360 63.200 0.183 0.000 1.104 587 S HN 0.401 nan 8.310 nan 0.000 0.458 588 V N 1.624 121.520 119.914 -0.029 0.000 3.566 588 V HA 0.556 4.675 4.120 -0.002 0.000 0.301 588 V C 1.028 177.001 176.094 -0.202 0.000 1.105 588 V CA 0.100 62.334 62.300 -0.109 0.000 1.142 588 V CB 0.353 32.093 31.823 -0.137 0.000 1.107 588 V HN 1.047 nan 8.190 nan 0.000 0.481 589 S N 0.856 116.467 115.700 -0.148 0.000 2.558 589 S HA 0.165 4.634 4.470 -0.002 0.000 0.287 589 S C -0.368 174.026 174.600 -0.343 0.000 1.321 589 S CA 0.264 58.402 58.200 -0.104 0.000 1.048 589 S CB -0.681 62.511 63.200 -0.013 0.000 0.844 589 S HN 0.992 nan 8.310 nan 0.000 0.512 590 H N 0.582 119.695 119.070 0.072 0.000 2.851 590 H HA 0.391 4.946 4.556 -0.002 0.000 0.372 590 H C -0.636 174.730 175.328 0.063 0.000 1.158 590 H CA -0.630 55.456 56.048 0.063 0.000 1.159 590 H CB 1.883 31.683 29.762 0.063 0.000 1.757 590 H HN 0.517 nan 8.280 nan 0.000 0.546 591 T N 2.816 117.476 114.554 0.176 0.000 2.743 591 T HA 0.388 4.737 4.350 -0.002 0.000 0.292 591 T C -0.424 174.338 174.700 0.103 0.000 0.972 591 T CA -0.617 61.551 62.100 0.113 0.000 0.967 591 T CB 0.266 69.185 68.868 0.085 0.000 0.926 591 T HN 0.186 nan 8.240 nan 0.000 0.459 592 V N 4.634 124.589 119.914 0.068 0.000 2.483 592 V HA 0.407 4.526 4.120 -0.002 0.000 0.295 592 V C 0.063 176.164 176.094 0.012 0.000 1.035 592 V CA -1.179 61.148 62.300 0.044 0.000 0.896 592 V CB 1.635 33.479 31.823 0.035 0.000 0.986 592 V HN 0.736 nan 8.190 nan 0.000 0.447 593 N N 3.174 121.891 118.700 0.028 0.000 2.500 593 N HA 0.288 5.027 4.740 -0.002 0.000 0.236 593 N C -0.522 175.001 175.510 0.021 0.000 1.022 593 N CA -0.140 52.927 53.050 0.029 0.000 0.935 593 N CB 1.621 40.143 38.487 0.057 0.000 1.147 593 N HN 0.448 nan 8.380 nan 0.000 0.512 594 V N 4.303 124.207 119.914 -0.017 0.000 2.455 594 V HA 0.183 4.302 4.120 -0.002 0.000 0.273 594 V C -1.601 174.475 176.094 -0.029 0.000 1.045 594 V CA -1.264 61.008 62.300 -0.047 0.000 0.976 594 V CB 1.078 32.840 31.823 -0.100 0.000 0.993 594 V HN 0.447 nan 8.190 nan 0.000 0.475 595 P HA 0.070 nan 4.420 nan 0.000 0.230 595 P C 0.900 177.983 177.300 -0.361 0.000 1.791 595 P CA 0.005 63.013 63.100 -0.153 0.000 1.020 595 P CB 0.517 32.078 31.700 -0.232 0.000 1.977 596 V N -1.066 118.763 119.914 -0.143 0.000 3.078 596 V HA -0.126 3.993 4.120 -0.002 0.000 0.265 596 V C 2.002 178.043 176.094 -0.089 0.000 1.122 596 V CA 0.487 62.698 62.300 -0.148 0.000 1.141 596 V CB -1.640 30.148 31.823 -0.059 0.000 0.735 596 V HN 0.419 nan 8.190 nan 0.000 0.498 597 W N 0.059 121.370 121.300 0.018 0.000 2.425 597 W HA -0.048 4.611 4.660 -0.002 0.000 0.277 597 W C 1.723 178.333 176.519 0.153 0.000 1.231 597 W CA 0.756 58.150 57.345 0.081 0.000 1.248 597 W CB -0.999 28.514 29.460 0.088 0.000 1.117 597 W HN 0.289 nan 8.180 nan 0.000 0.568 598 Q N 1.207 120.636 119.800 -0.617 0.000 2.291 598 Q HA -0.017 4.322 4.340 -0.002 0.000 0.205 598 Q C 2.182 177.904 176.000 -0.462 0.000 0.970 598 Q CA 1.067 56.516 55.803 -0.590 0.000 0.876 598 Q CB -0.220 28.009 28.738 -0.849 0.000 0.935 598 Q HN 0.508 nan 8.270 nan 0.000 0.455 599 L N -0.510 120.448 121.223 -0.440 0.000 2.607 599 L HA 0.108 4.447 4.340 -0.002 0.000 0.228 599 L C 0.403 177.082 176.870 -0.318 0.000 1.123 599 L CA -0.057 54.409 54.840 -0.623 0.000 0.890 599 L CB 0.253 41.952 42.059 -0.601 0.000 1.103 599 L HN -0.044 nan 8.230 nan 0.000 0.468 600 S N 0.186 115.860 115.700 -0.043 0.000 3.586 600 S HA -0.173 4.296 4.470 -0.002 0.000 0.309 600 S C 0.489 175.143 174.600 0.089 0.000 1.195 600 S CA 0.572 58.849 58.200 0.128 0.000 0.895 600 S CB -1.269 62.012 63.200 0.134 0.000 0.983 600 S HN 0.391 nan 8.310 nan 0.000 0.563 601 M N 1.737 121.367 119.600 0.050 0.000 2.251 601 M HA 0.176 4.656 4.480 -0.002 0.000 0.346 601 M C -2.282 174.076 176.300 0.096 0.000 1.499 601 M CA -1.308 54.022 55.300 0.051 0.000 1.128 601 M CB 0.116 32.728 32.600 0.019 0.000 1.809 601 M HN -0.087 nan 8.290 nan 0.000 0.464 602 P HA 0.053 nan 4.420 nan 0.000 0.268 602 P C -0.912 176.435 177.300 0.078 0.000 1.205 602 P CA -0.003 63.150 63.100 0.088 0.000 0.771 602 P CB 0.334 32.079 31.700 0.075 0.000 0.858 603 N N 1.352 120.096 118.700 0.073 0.000 2.458 603 N HA 0.235 4.974 4.740 -0.002 0.000 0.258 603 N C 1.341 176.881 175.510 0.050 0.000 1.219 603 N CA 1.074 54.160 53.050 0.060 0.000 0.902 603 N CB -0.012 38.501 38.487 0.043 0.000 1.076 603 N HN 0.727 nan 8.380 nan 0.000 0.455 604 G N 0.400 109.230 108.800 0.049 0.000 2.241 604 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.244 604 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.244 604 G C 0.244 175.172 174.900 0.047 0.000 0.998 604 G CA 0.336 45.462 45.100 0.043 0.000 0.621 604 G HN 0.738 nan 8.290 nan 0.000 0.519 605 S N 0.199 115.931 115.700 0.054 0.000 2.632 605 S HA 0.704 5.174 4.470 -0.002 0.000 0.267 605 S C 0.281 174.918 174.600 0.062 0.000 1.276 605 S CA 0.753 58.986 58.200 0.055 0.000 0.998 605 S CB 1.726 64.960 63.200 0.057 0.000 0.953 605 S HN 1.657 nan 8.310 nan 0.000 0.547 606 T N -1.586 113.006 114.554 0.063 0.000 2.918 606 T HA 0.717 5.066 4.350 -0.002 0.000 0.286 606 T C -0.131 174.620 174.700 0.086 0.000 1.026 606 T CA -0.527 61.618 62.100 0.076 0.000 1.031 606 T CB 0.920 69.825 68.868 0.061 0.000 1.046 606 T HN 1.568 nan 8.240 nan 0.000 0.479 607 V N -0.876 119.109 119.914 0.118 0.000 2.914 607 V HA 0.930 5.049 4.120 -0.002 0.000 0.314 607 V C -0.694 175.501 176.094 0.169 0.000 1.084 607 V CA -0.707 61.665 62.300 0.120 0.000 0.963 607 V CB 1.861 33.742 31.823 0.097 0.000 1.025 607 V HN 1.100 nan 8.190 nan 0.000 0.432 608 T N 2.293 116.931 114.554 0.140 0.000 2.879 608 T HA 0.368 4.717 4.350 -0.002 0.000 0.290 608 T C -1.104 173.681 174.700 0.141 0.000 0.993 608 T CA -0.154 62.037 62.100 0.152 0.000 0.975 608 T CB 1.289 70.219 68.868 0.104 0.000 0.981 608 T HN 1.034 nan 8.240 nan 0.000 0.439 609 D N 2.837 123.358 120.400 0.203 0.000 2.342 609 D HA 0.102 4.741 4.640 -0.002 0.000 0.260 609 D C 1.095 177.444 176.300 0.082 0.000 1.278 609 D CA -0.330 53.757 54.000 0.145 0.000 0.910 609 D CB 0.734 41.676 40.800 0.237 0.000 1.079 609 D HN 0.171 nan 8.370 nan 0.000 0.496 610 K N 3.618 124.042 120.400 0.040 0.000 2.519 610 K HA -0.044 4.275 4.320 -0.002 0.000 0.196 610 K C 1.454 178.070 176.600 0.028 0.000 1.041 610 K CA 0.498 56.812 56.287 0.045 0.000 0.954 610 K CB 0.239 32.765 32.500 0.043 0.000 0.774 610 K HN 0.608 nan 8.250 nan 0.000 0.480 611 I N 0.518 121.097 120.570 0.015 0.000 2.556 611 I HA -0.162 4.007 4.170 -0.002 0.000 0.251 611 I C 2.226 178.349 176.117 0.009 0.000 1.105 611 I CA 1.353 62.657 61.300 0.005 0.000 1.436 611 I CB -0.135 37.857 38.000 -0.014 0.000 1.139 611 I HN 0.172 nan 8.210 nan 0.000 0.438 612 T N -2.883 111.674 114.554 0.005 0.000 3.040 612 T HA 0.276 4.625 4.350 -0.002 0.000 0.252 612 T C 1.612 176.244 174.700 -0.113 0.000 1.064 612 T CA 0.704 62.756 62.100 -0.081 0.000 1.110 612 T CB 0.764 69.534 68.868 -0.162 0.000 0.921 612 T HN 0.455 nan 8.240 nan 0.000 0.480 613 G N 0.779 109.563 108.800 -0.026 0.000 2.194 613 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.236 613 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.236 613 G C -0.014 174.916 174.900 0.050 0.000 0.987 613 G CA 0.003 45.105 45.100 0.003 0.000 0.635 613 G HN 0.780 nan 8.290 nan 0.000 0.520 614 H N 1.223 120.287 119.070 -0.009 0.000 2.928 614 H HA 0.445 5.000 4.556 -0.002 0.000 0.338 614 H C 0.315 175.504 175.328 -0.232 0.000 1.047 614 H CA 0.575 56.538 56.048 -0.142 0.000 1.435 614 H CB 0.687 30.367 29.762 -0.137 0.000 1.428 614 H HN 0.238 nan 8.280 nan 0.000 0.590 615 S N 2.352 117.900 115.700 -0.254 0.000 2.593 615 S HA 0.428 4.897 4.470 -0.002 0.000 0.297 615 S C -1.165 173.109 174.600 -0.545 0.000 1.112 615 S CA -0.636 57.431 58.200 -0.222 0.000 1.043 615 S CB 0.871 64.019 63.200 -0.086 0.000 1.054 615 S HN 0.412 nan 8.310 nan 0.000 0.516 616 Y N -0.365 119.954 120.300 0.031 0.000 2.615 616 Y HA 0.497 5.046 4.550 -0.002 0.000 0.341 616 Y C 0.112 176.025 175.900 0.021 0.000 1.089 616 Y CA -0.925 57.187 58.100 0.019 0.000 1.049 616 Y CB 1.769 40.242 38.460 0.022 0.000 1.296 616 Y HN 0.421 nan 8.280 nan 0.000 0.470 617 T N 1.565 116.231 114.554 0.188 0.000 2.824 617 T HA 0.431 4.781 4.350 -0.002 0.000 0.282 617 T C -0.880 173.884 174.700 0.106 0.000 0.993 617 T CA -0.708 61.460 62.100 0.114 0.000 0.967 617 T CB 1.234 70.147 68.868 0.074 0.000 0.960 617 T HN 0.338 nan 8.240 nan 0.000 0.441 618 V N 4.999 124.965 119.914 0.087 0.000 2.479 618 V HA 0.195 4.314 4.120 -0.002 0.000 0.281 618 V C 0.067 176.203 176.094 0.070 0.000 1.031 618 V CA 0.028 62.376 62.300 0.079 0.000 1.038 618 V CB 0.297 32.167 31.823 0.077 0.000 0.981 618 V HN 0.729 nan 8.190 nan 0.000 0.478 619 Q N 4.103 123.944 119.800 0.069 0.000 2.292 619 Q HA 0.379 4.718 4.340 -0.002 0.000 0.270 619 Q C -0.033 175.998 176.000 0.052 0.000 1.024 619 Q CA -0.614 55.221 55.803 0.053 0.000 0.768 619 Q CB 1.728 30.496 28.738 0.049 0.000 1.250 619 Q HN 0.796 nan 8.270 nan 0.000 0.447 620 N N 1.435 120.155 118.700 0.033 0.000 2.727 620 N HA -0.221 4.518 4.740 -0.002 0.000 0.249 620 N C 0.582 176.114 175.510 0.037 0.000 1.048 620 N CA 1.285 54.340 53.050 0.009 0.000 0.714 620 N CB -0.879 37.607 38.487 -0.002 0.000 0.959 620 N HN 1.115 nan 8.380 nan 0.000 0.544 621 G N -1.133 107.722 108.800 0.092 0.000 2.168 621 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.257 621 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.257 621 G C 0.131 175.221 174.900 0.317 0.000 0.997 621 G CA 1.105 46.348 45.100 0.238 0.000 0.708 621 G HN 0.500 nan 8.290 nan 0.000 0.520 622 M N -1.138 118.566 119.600 0.174 0.000 2.631 622 M HA 0.695 5.174 4.480 -0.002 0.000 0.288 622 M C -0.763 175.578 176.300 0.068 0.000 1.260 622 M CA -1.038 54.341 55.300 0.132 0.000 0.842 622 M CB 2.655 35.329 32.600 0.122 0.000 1.743 622 M HN -0.053 nan 8.290 nan 0.000 0.461 623 V N 0.681 120.606 119.914 0.019 0.000 2.623 623 V HA 0.429 4.548 4.120 -0.002 0.000 0.304 623 V C -0.653 175.388 176.094 -0.088 0.000 1.054 623 V CA -0.506 61.771 62.300 -0.038 0.000 0.882 623 V CB 2.220 33.988 31.823 -0.092 0.000 1.002 623 V HN 0.924 nan 8.190 nan 0.000 0.424 624 T N 4.475 118.977 114.554 -0.086 0.000 2.770 624 T HA 0.581 4.931 4.350 -0.002 0.000 0.297 624 T C -0.554 174.036 174.700 -0.183 0.000 0.997 624 T CA -0.182 61.874 62.100 -0.074 0.000 0.949 624 T CB 1.362 70.239 68.868 0.015 0.000 0.941 624 T HN 0.482 nan 8.240 nan 0.000 0.457 625 V N 2.633 122.426 119.914 -0.201 0.000 2.914 625 V HA 0.907 5.026 4.120 -0.002 0.000 0.314 625 V C -1.082 175.005 176.094 -0.012 0.000 1.084 625 V CA -0.931 61.236 62.300 -0.223 0.000 0.963 625 V CB 1.936 33.526 31.823 -0.387 0.000 1.025 625 V HN 0.970 nan 8.190 nan 0.000 0.432 626 A N 5.104 127.971 122.820 0.078 0.000 2.288 626 A HA 0.812 5.131 4.320 -0.002 0.000 0.320 626 A C -1.068 176.603 177.584 0.145 0.000 1.217 626 A CA -0.456 51.651 52.037 0.117 0.000 0.840 626 A CB 1.238 20.316 19.000 0.130 0.000 1.179 626 A HN 1.046 nan 8.150 nan 0.000 0.504 627 V N 3.233 123.240 119.914 0.155 0.000 2.531 627 V HA 0.277 4.396 4.120 -0.002 0.000 0.301 627 V C -0.328 175.892 176.094 0.210 0.000 1.034 627 V CA -0.810 61.607 62.300 0.195 0.000 0.865 627 V CB 1.649 33.582 31.823 0.185 0.000 0.995 627 V HN 0.973 nan 8.190 nan 0.000 0.424 628 D N 2.642 123.182 120.400 0.233 0.000 2.377 628 D HA 0.329 4.968 4.640 -0.002 0.000 0.245 628 D C 0.683 177.158 176.300 0.292 0.000 1.196 628 D CA 0.397 54.536 54.000 0.231 0.000 0.962 628 D CB 1.913 42.864 40.800 0.252 0.000 1.127 628 D HN 0.715 nan 8.370 nan 0.000 0.471 629 G N -0.178 108.768 108.800 0.243 0.000 2.414 629 G HA2 0.045 4.004 3.960 -0.002 0.000 0.236 629 G HA3 0.045 4.004 3.960 -0.002 0.000 0.236 629 G C -0.235 174.892 174.900 0.378 0.000 1.293 629 G CA 0.201 45.400 45.100 0.165 0.000 0.869 629 G HN 0.860 nan 8.290 nan 0.000 0.556 630 H N -1.131 118.122 119.070 0.304 0.000 2.692 630 H HA -0.206 4.349 4.556 -0.002 0.000 0.316 630 H C -0.319 175.327 175.328 0.531 0.000 1.176 630 H CA 1.461 57.718 56.048 0.348 0.000 1.142 630 H CB -1.557 28.429 29.762 0.372 0.000 1.475 630 H HN 0.679 nan 8.280 nan 0.000 0.423 631 Y N -1.568 118.919 120.300 0.311 0.000 2.900 631 Y HA 0.638 5.187 4.550 -0.002 0.000 0.318 631 Y C 0.223 176.233 175.900 0.182 0.000 1.457 631 Y CA -0.321 57.913 58.100 0.222 0.000 1.082 631 Y CB 1.990 40.542 38.460 0.153 0.000 1.419 631 Y HN 0.246 nan 8.280 nan 0.000 0.459 632 G N 0.228 108.954 108.800 -0.124 0.000 2.576 632 G HA2 0.637 4.596 3.960 -0.002 0.000 0.290 632 G HA3 0.637 4.596 3.960 -0.002 0.000 0.290 632 G C -2.282 172.574 174.900 -0.073 0.000 1.442 632 G CA -0.237 44.842 45.100 -0.036 0.000 0.792 632 G HN 0.834 nan 8.290 nan 0.000 0.491 633 A N -0.615 122.187 122.820 -0.030 0.000 2.374 633 A HA 0.787 5.106 4.320 -0.002 0.000 0.317 633 A C -0.858 176.677 177.584 -0.083 0.000 1.094 633 A CA -0.668 51.355 52.037 -0.023 0.000 0.765 633 A CB 2.106 21.114 19.000 0.015 0.000 1.268 633 A HN 1.396 nan 8.150 nan 0.000 0.438 634 V N 3.215 123.085 119.914 -0.074 0.000 2.276 634 V HA 0.222 4.341 4.120 -0.002 0.000 0.268 634 V C -0.483 175.548 176.094 -0.105 0.000 1.032 634 V CA -0.029 62.199 62.300 -0.121 0.000 0.810 634 V CB 0.253 32.003 31.823 -0.122 0.000 1.060 634 V HN 0.687 nan 8.190 nan 0.000 0.446 635 L N 4.206 125.361 121.223 -0.112 0.000 2.407 635 L HA 0.681 5.020 4.340 -0.002 0.000 0.282 635 L C 0.608 177.416 176.870 -0.103 0.000 1.110 635 L CA 0.338 55.136 54.840 -0.071 0.000 0.863 635 L CB 0.454 42.458 42.059 -0.093 0.000 1.207 635 L HN 0.644 nan 8.230 nan 0.000 0.454 636 A N 4.532 127.304 122.820 -0.080 0.000 2.423 636 A HA 0.863 5.182 4.320 -0.002 0.000 0.304 636 A C -0.747 176.849 177.584 0.020 0.000 1.104 636 A CA -0.519 51.453 52.037 -0.108 0.000 0.757 636 A CB 1.978 20.768 19.000 -0.351 0.000 1.313 636 A HN 0.713 nan 8.150 nan 0.000 0.423 637 Q N 0.000 119.834 119.800 0.057 0.000 2.315 637 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 637 Q CA 0.000 55.865 55.803 0.103 0.000 1.022 637 Q CB 0.000 28.780 28.738 0.069 0.000 1.108 637 Q HN 0.000 nan 8.270 nan 0.000 0.481