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 1e1c_1_A DATA FIRST_RESID 2 DATA SEQUENCE STLPRFDSVD LGNAPVPADA ARRFEELAAK AGTGEAWETA EQIPVGTLFN DATA SEQUENCE EDVYKDMDWL DTYAGIPPFV HGPYATMYAF RPWTIRQYAG FSTAKESNAF DATA SEQUENCE YRRNLAAGQK GLSVAFDLPT HRGYDSDNPR VAGDVGMAGV AIDSIYDMRE DATA SEQUENCE LFAGIPLDQM SVSMTMNGAV LPILALYVVT AEEQGVKPEQ LAGTIQNDIL DATA SEQUENCE KEFMVRNTYI YPPQPSMRII SEIFAYTSAN MPKWNSISIS GYAMQEAGAT DATA SEQUENCE ADIEMAYTLA DGVDYIRAGE SVGLNVDQFA PRLSFFWGIG MNFFMEVAKL DATA SEQUENCE RAARMLWAKL VHQFGPKNPK SMSLRTHSQT SGWSLTAQDV YNNVVRTCIE DATA SEQUENCE AMAATQGHTQ SLHTNSLDEA IALPTDFSAR IARNTQLFLQ QESGTTRVID DATA SEQUENCE PWSGSAYVEE LTWDLARKAW GHIQEVEKVG GMAKAIEKGI PKMRIEEAAA DATA SEQUENCE RTQARIDSGR QPLIGVNKYR LEHEPPLDVL KVDNSTVLAE QKAKLVKLRA DATA SEQUENCE ERDPEKVKAA LDKITWAAGN PDDKDPDRNL LKLCIDAGRA MATVGEMSDA DATA SEQUENCE LEKVFGRYTA QIRTISGVYS KEVKNTPEVE EARELVEEFE QAEGRRPRIL DATA SEQUENCE LAKMGQDGHD RGQKVIATAY ADLGFDVDVG PLFQTPEETA RQAVEADVHV DATA SEQUENCE VGVSSLAGGH LTLVPALRKE LDKLGRPDIL ITVGGVIPEQ DFDELRKDGA DATA SEQUENCE VEIYTPGTVI PESAISLVKK LRASLDA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.593 174.600 -0.011 0.000 1.055 2 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 2 S CB 0.000 63.201 63.200 0.001 0.000 0.593 3 T N -0.163 114.381 114.554 -0.016 0.000 3.280 3 T HA 0.470 4.820 4.350 0.001 0.000 0.256 3 T C -0.021 174.655 174.700 -0.040 0.000 0.995 3 T CA 0.037 62.118 62.100 -0.031 0.000 1.144 3 T CB -0.441 68.403 68.868 -0.040 0.000 1.140 3 T HN 0.679 nan 8.240 nan 0.000 0.423 4 L N 2.802 124.005 121.223 -0.033 0.000 3.721 4 L HA -0.066 4.274 4.340 0.001 0.000 0.625 4 L C -2.456 174.369 176.870 -0.074 0.000 1.186 4 L CA -0.600 54.224 54.840 -0.027 0.000 0.961 4 L CB -1.745 40.310 42.059 -0.007 0.000 1.418 4 L HN 0.382 nan 8.230 nan 0.000 0.838 5 P HA 0.295 nan 4.420 nan 0.000 0.272 5 P C -0.106 176.972 177.300 -0.370 0.000 1.223 5 P CA -0.079 62.816 63.100 -0.343 0.000 0.784 5 P CB 0.649 32.012 31.700 -0.561 0.000 0.923 6 R N 1.887 122.159 120.500 -0.380 0.000 2.360 6 R HA 0.275 4.615 4.340 0.001 0.000 0.318 6 R C 0.283 176.432 176.300 -0.251 0.000 0.950 6 R CA -0.559 55.434 56.100 -0.178 0.000 0.837 6 R CB 0.279 30.533 30.300 -0.076 0.000 1.165 6 R HN 0.444 nan 8.270 nan 0.000 0.458 7 F N 1.184 121.135 119.950 0.003 0.000 2.748 7 F HA -0.075 4.453 4.527 0.001 0.000 0.299 7 F C 1.893 177.694 175.800 0.003 0.000 1.154 7 F CA 0.414 58.416 58.000 0.003 0.000 1.446 7 F CB 0.027 39.029 39.000 0.003 0.000 1.112 7 F HN 0.472 nan 8.300 nan 0.000 0.584 8 D N -0.175 120.296 120.400 0.118 0.000 2.311 8 D HA -0.171 4.469 4.640 0.001 0.000 0.212 8 D C 1.661 177.989 176.300 0.046 0.000 0.972 8 D CA 1.527 55.571 54.000 0.073 0.000 0.887 8 D CB -0.526 40.301 40.800 0.046 0.000 0.915 8 D HN 0.429 nan 8.370 nan 0.000 0.497 9 S N -0.287 115.428 115.700 0.025 0.000 2.497 9 S HA 0.125 4.596 4.470 0.001 0.000 0.218 9 S C 0.972 175.583 174.600 0.018 0.000 1.023 9 S CA -0.483 57.722 58.200 0.008 0.000 0.913 9 S CB -0.001 63.188 63.200 -0.019 0.000 0.800 9 S HN 0.044 nan 8.310 nan 0.000 0.505 10 V N 4.247 124.184 119.914 0.038 0.000 2.479 10 V HA 0.193 4.314 4.120 0.001 0.000 0.281 10 V C -0.237 175.915 176.094 0.097 0.000 1.031 10 V CA -0.238 62.106 62.300 0.073 0.000 1.038 10 V CB 0.148 32.058 31.823 0.145 0.000 0.981 10 V HN 0.358 nan 8.190 nan 0.000 0.478 11 D N 3.124 123.564 120.400 0.066 0.000 2.339 11 D HA 0.156 4.796 4.640 0.001 0.000 0.245 11 D C 0.801 177.140 176.300 0.065 0.000 1.115 11 D CA -0.459 53.575 54.000 0.055 0.000 0.917 11 D CB 1.631 42.453 40.800 0.036 0.000 1.192 11 D HN 0.344 nan 8.370 nan 0.000 0.428 12 L N 1.567 122.819 121.223 0.048 0.000 2.005 12 L HA 0.094 4.435 4.340 0.001 0.000 0.207 12 L C 1.059 177.948 176.870 0.032 0.000 1.072 12 L CA 2.270 57.133 54.840 0.038 0.000 0.744 12 L CB -0.733 41.339 42.059 0.021 0.000 0.895 12 L HN 0.761 nan 8.230 nan 0.000 0.433 13 G N -1.203 107.612 108.800 0.026 0.000 2.498 13 G HA2 -0.228 3.733 3.960 0.001 0.000 0.651 13 G HA3 -0.228 3.733 3.960 0.001 0.000 0.651 13 G C -0.143 174.766 174.900 0.015 0.000 1.284 13 G CA -0.027 45.086 45.100 0.021 0.000 0.950 13 G HN 0.325 nan 8.290 nan 0.000 0.511 14 N N 0.882 119.590 118.700 0.012 0.000 2.238 14 N HA 0.489 5.229 4.740 0.001 0.000 0.222 14 N C 0.856 176.370 175.510 0.008 0.000 1.133 14 N CA 0.583 53.639 53.050 0.009 0.000 0.854 14 N CB 0.724 39.215 38.487 0.007 0.000 1.041 14 N HN 1.831 nan 8.380 nan 0.000 0.510 15 A N 2.184 125.010 122.820 0.009 0.000 1.999 15 A HA -0.148 4.173 4.320 0.001 0.000 0.261 15 A C -2.000 175.588 177.584 0.007 0.000 1.316 15 A CA -0.210 51.832 52.037 0.008 0.000 0.752 15 A CB -1.252 17.751 19.000 0.006 0.000 1.166 15 A HN 0.269 nan 8.150 nan 0.000 0.311 16 P HA 0.493 nan 4.420 nan 0.000 0.278 16 P C -0.420 176.883 177.300 0.006 0.000 1.238 16 P CA -0.345 62.759 63.100 0.006 0.000 0.794 16 P CB 1.283 32.988 31.700 0.008 0.000 0.955 17 V N 4.827 124.743 119.914 0.003 0.000 2.364 17 V HA 0.229 4.350 4.120 0.001 0.000 0.272 17 V C -1.592 174.505 176.094 0.004 0.000 1.036 17 V CA -1.347 60.954 62.300 0.002 0.000 0.880 17 V CB 0.434 32.254 31.823 -0.005 0.000 0.991 17 V HN 0.646 nan 8.190 nan 0.000 0.460 18 P HA 0.166 nan 4.420 nan 0.000 0.268 18 P C 0.805 178.111 177.300 0.010 0.000 1.208 18 P CA -0.176 62.930 63.100 0.010 0.000 0.777 18 P CB 0.860 32.568 31.700 0.014 0.000 0.875 19 A N 2.286 125.111 122.820 0.009 0.000 1.940 19 A HA -0.189 4.132 4.320 0.001 0.000 0.219 19 A C 1.315 178.906 177.584 0.012 0.000 1.176 19 A CA 1.940 53.982 52.037 0.008 0.000 0.631 19 A CB -0.950 18.055 19.000 0.007 0.000 0.814 19 A HN 0.698 nan 8.150 nan 0.000 0.446 20 D N -0.650 119.759 120.400 0.015 0.000 2.358 20 D HA 0.417 5.058 4.640 0.001 0.000 0.224 20 D C 1.262 177.581 176.300 0.032 0.000 1.123 20 D CA 0.611 54.623 54.000 0.020 0.000 0.833 20 D CB -0.304 40.506 40.800 0.018 0.000 0.946 20 D HN 0.307 nan 8.370 nan 0.000 0.505 21 A N 1.343 124.182 122.820 0.031 0.000 1.865 21 A HA -0.010 4.310 4.320 0.001 0.000 0.217 21 A C 2.419 180.049 177.584 0.076 0.000 1.191 21 A CA 2.251 54.313 52.037 0.043 0.000 0.623 21 A CB -1.007 18.004 19.000 0.019 0.000 0.826 21 A HN 0.362 nan 8.150 nan 0.000 0.444 22 A N 0.827 123.686 122.820 0.064 0.000 1.859 22 A HA -0.248 4.072 4.320 0.001 0.000 0.217 22 A C 2.253 179.912 177.584 0.125 0.000 1.198 22 A CA 2.369 54.467 52.037 0.103 0.000 0.629 22 A CB -0.704 18.329 19.000 0.056 0.000 0.830 22 A HN 0.740 nan 8.150 nan 0.000 0.446 23 R N -0.744 119.796 120.500 0.067 0.000 2.120 23 R HA -0.080 4.261 4.340 0.001 0.000 0.234 23 R C 2.145 178.467 176.300 0.038 0.000 1.123 23 R CA 1.525 57.649 56.100 0.040 0.000 0.975 23 R CB -0.415 29.897 30.300 0.021 0.000 0.866 23 R HN 0.470 nan 8.270 nan 0.000 0.446 24 R N -0.166 120.369 120.500 0.057 0.000 2.075 24 R HA -0.077 4.264 4.340 0.001 0.000 0.232 24 R C 2.144 178.486 176.300 0.070 0.000 1.126 24 R CA 1.574 57.704 56.100 0.050 0.000 0.963 24 R CB -0.442 29.890 30.300 0.054 0.000 0.858 24 R HN 0.215 nan 8.270 nan 0.000 0.435 25 F N 2.392 122.332 119.950 -0.018 0.000 2.095 25 F HA -0.197 4.330 4.527 0.001 0.000 0.298 25 F C 2.195 177.979 175.800 -0.027 0.000 1.104 25 F CA 1.530 59.516 58.000 -0.023 0.000 1.232 25 F CB -0.122 38.861 39.000 -0.028 0.000 0.987 25 F HN -0.093 nan 8.300 nan 0.000 0.475 26 E N 0.460 120.574 120.200 -0.143 0.000 2.085 26 E HA -0.245 4.106 4.350 0.001 0.000 0.194 26 E C 2.172 178.622 176.600 -0.251 0.000 0.994 26 E CA 1.425 57.669 56.400 -0.260 0.000 0.801 26 E CB -0.456 29.191 29.700 -0.089 0.000 0.743 26 E HN 0.426 nan 8.360 nan 0.000 0.453 27 E N 0.782 120.894 120.200 -0.148 0.000 2.077 27 E HA -0.112 4.239 4.350 0.001 0.000 0.193 27 E C 2.284 178.798 176.600 -0.144 0.000 0.989 27 E CA 0.769 57.099 56.400 -0.116 0.000 0.800 27 E CB -0.409 29.254 29.700 -0.062 0.000 0.746 27 E HN 0.227 nan 8.360 nan 0.000 0.452 28 L N -0.307 120.816 121.223 -0.167 0.000 2.017 28 L HA -0.173 4.168 4.340 0.001 0.000 0.208 28 L C 2.506 179.233 176.870 -0.238 0.000 1.073 28 L CA 1.211 55.960 54.840 -0.153 0.000 0.745 28 L CB -0.673 41.334 42.059 -0.087 0.000 0.894 28 L HN 0.159 nan 8.230 nan 0.000 0.432 29 A N 0.178 122.723 122.820 -0.459 0.000 1.865 29 A HA -0.228 4.093 4.320 0.001 0.000 0.217 29 A C 2.548 179.985 177.584 -0.244 0.000 1.191 29 A CA 2.017 53.781 52.037 -0.455 0.000 0.623 29 A CB -0.871 17.706 19.000 -0.705 0.000 0.826 29 A HN 0.411 nan 8.150 nan 0.000 0.444 30 A N -0.601 122.095 122.820 -0.207 0.000 1.883 30 A HA -0.207 4.114 4.320 0.001 0.000 0.217 30 A C 2.173 179.699 177.584 -0.096 0.000 1.186 30 A CA 2.050 54.010 52.037 -0.128 0.000 0.624 30 A CB -0.518 18.416 19.000 -0.111 0.000 0.822 30 A HN 0.514 nan 8.150 nan 0.000 0.444 31 K N -0.614 119.729 120.400 -0.095 0.000 2.147 31 K HA -0.072 4.249 4.320 0.001 0.000 0.205 31 K C 2.049 178.613 176.600 -0.060 0.000 1.049 31 K CA 1.022 57.269 56.287 -0.067 0.000 0.936 31 K CB -0.230 32.234 32.500 -0.061 0.000 0.722 31 K HN 0.442 nan 8.250 nan 0.000 0.446 32 A N -0.050 122.728 122.820 -0.070 0.000 2.016 32 A HA 0.097 4.418 4.320 0.001 0.000 0.217 32 A C 1.254 178.809 177.584 -0.047 0.000 1.162 32 A CA 1.273 53.278 52.037 -0.054 0.000 0.662 32 A CB -0.128 18.835 19.000 -0.062 0.000 0.812 32 A HN 0.453 nan 8.150 nan 0.000 0.450 33 G N -1.235 107.531 108.800 -0.056 0.000 2.181 33 G HA2 -0.123 3.837 3.960 0.001 0.000 0.152 33 G HA3 -0.123 3.837 3.960 0.001 0.000 0.152 33 G C 0.096 174.968 174.900 -0.046 0.000 1.026 33 G CA -0.016 45.058 45.100 -0.044 0.000 0.699 33 G HN 0.507 nan 8.290 nan 0.000 0.497 34 T N 0.783 115.296 114.554 -0.068 0.000 2.928 34 T HA 0.510 4.860 4.350 0.001 0.000 0.305 34 T C 1.310 175.985 174.700 -0.042 0.000 1.035 34 T CA 0.918 62.983 62.100 -0.058 0.000 1.145 34 T CB 1.552 70.368 68.868 -0.087 0.000 0.963 34 T HN 0.986 nan 8.240 nan 0.000 0.545 35 G N 1.146 109.933 108.800 -0.021 0.000 2.890 35 G HA2 0.664 4.625 3.960 0.001 0.000 0.189 35 G HA3 0.664 4.625 3.960 0.001 0.000 0.189 35 G C -0.059 174.842 174.900 0.002 0.000 1.342 35 G CA -0.369 44.726 45.100 -0.008 0.000 1.026 35 G HN 0.907 nan 8.290 nan 0.000 0.579 36 E N -1.132 119.078 120.200 0.017 0.000 2.392 36 E HA 0.590 4.941 4.350 0.001 0.000 0.256 36 E C 0.604 177.234 176.600 0.050 0.000 1.145 36 E CA -0.255 56.159 56.400 0.025 0.000 0.929 36 E CB 0.291 30.006 29.700 0.025 0.000 0.998 36 E HN 1.288 nan 8.360 nan 0.000 0.442 37 A N 0.343 123.195 122.820 0.053 0.000 2.448 37 A HA 0.394 4.715 4.320 0.001 0.000 0.239 37 A C -0.058 177.633 177.584 0.178 0.000 1.080 37 A CA -0.021 52.073 52.037 0.095 0.000 0.779 37 A CB -0.084 18.952 19.000 0.060 0.000 1.026 37 A HN 1.020 nan 8.150 nan 0.000 0.499 38 W N 1.164 122.483 121.300 0.031 0.000 2.253 38 W HA 0.467 5.128 4.660 0.001 0.000 0.322 38 W C -0.197 176.356 176.519 0.056 0.000 1.342 38 W CA -0.432 56.940 57.345 0.045 0.000 1.218 38 W CB 0.356 29.852 29.460 0.060 0.000 1.205 38 W HN 0.655 nan 8.180 nan 0.000 0.551 39 E N 4.095 124.244 120.200 -0.085 0.000 2.109 39 E HA 0.260 4.611 4.350 0.001 0.000 0.278 39 E C 0.213 176.493 176.600 -0.534 0.000 0.954 39 E CA -0.329 55.920 56.400 -0.250 0.000 0.779 39 E CB 0.690 30.350 29.700 -0.068 0.000 1.093 39 E HN 0.405 nan 8.360 nan 0.000 0.401 40 T N 0.907 115.022 114.554 -0.731 0.000 2.754 40 T HA 0.373 4.723 4.350 0.001 0.000 0.286 40 T C 1.389 175.923 174.700 -0.277 0.000 0.997 40 T CA -0.151 61.519 62.100 -0.717 0.000 0.982 40 T CB 1.369 69.812 68.868 -0.708 0.000 1.027 40 T HN 0.399 nan 8.240 nan 0.000 0.529 41 A N 0.199 122.939 122.820 -0.133 0.000 2.024 41 A HA -0.065 4.255 4.320 0.001 0.000 0.220 41 A C 2.056 179.583 177.584 -0.095 0.000 1.164 41 A CA 1.476 53.471 52.037 -0.070 0.000 0.643 41 A CB -0.982 18.002 19.000 -0.026 0.000 0.806 41 A HN 0.859 nan 8.150 nan 0.000 0.451 42 E N -1.007 119.122 120.200 -0.117 0.000 2.418 42 E HA 0.002 4.353 4.350 0.001 0.000 0.197 42 E C 0.484 177.025 176.600 -0.098 0.000 1.026 42 E CA 0.556 56.893 56.400 -0.105 0.000 0.862 42 E CB -0.247 29.380 29.700 -0.122 0.000 0.799 42 E HN 0.654 nan 8.360 nan 0.000 0.518 43 Q N -0.977 118.754 119.800 -0.115 0.000 2.504 43 Q HA -0.185 4.156 4.340 0.001 0.000 0.274 43 Q C -0.876 175.064 176.000 -0.101 0.000 1.103 43 Q CA 0.289 56.033 55.803 -0.097 0.000 0.962 43 Q CB -1.651 27.050 28.738 -0.060 0.000 1.322 43 Q HN 0.316 nan 8.270 nan 0.000 0.500 44 I N 2.122 122.611 120.570 -0.135 0.000 2.328 44 I HA 0.308 4.479 4.170 0.001 0.000 0.287 44 I C -2.019 174.012 176.117 -0.143 0.000 1.012 44 I CA -2.133 59.098 61.300 -0.116 0.000 1.195 44 I CB 1.013 38.941 38.000 -0.120 0.000 1.350 44 I HN -0.155 nan 8.210 nan 0.000 0.464 45 P HA 0.164 nan 4.420 nan 0.000 0.281 45 P C -0.670 176.667 177.300 0.061 0.000 1.252 45 P CA -0.217 62.863 63.100 -0.033 0.000 0.778 45 P CB 1.645 33.347 31.700 0.003 0.000 0.895 46 V N 4.327 124.297 119.914 0.093 0.000 2.349 46 V HA 0.424 4.545 4.120 0.001 0.000 0.284 46 V C 1.145 177.376 176.094 0.230 0.000 1.014 46 V CA -0.320 62.155 62.300 0.291 0.000 0.826 46 V CB 1.175 33.230 31.823 0.386 0.000 1.009 46 V HN 0.752 nan 8.190 nan 0.000 0.431 47 G N 3.044 111.866 108.800 0.037 0.000 2.583 47 G HA2 0.280 4.241 3.960 0.001 0.000 0.275 47 G HA3 0.280 4.241 3.960 0.001 0.000 0.275 47 G C 1.052 175.878 174.900 -0.124 0.000 1.342 47 G CA 0.543 45.568 45.100 -0.126 0.000 1.030 47 G HN 0.772 nan 8.290 nan 0.000 0.520 48 T N -2.992 111.488 114.554 -0.124 0.000 3.069 48 T HA 0.411 4.762 4.350 0.001 0.000 0.252 48 T C 0.146 174.801 174.700 -0.076 0.000 1.053 48 T CA 0.073 62.142 62.100 -0.052 0.000 0.964 48 T CB -0.057 68.831 68.868 0.034 0.000 1.005 48 T HN 0.416 nan 8.240 nan 0.000 0.532 49 L N 0.338 121.416 121.223 -0.240 0.000 2.513 49 L HA 0.702 5.043 4.340 0.001 0.000 0.261 49 L C -2.279 174.329 176.870 -0.437 0.000 0.945 49 L CA -1.048 53.651 54.840 -0.236 0.000 0.848 49 L CB 1.919 43.796 42.059 -0.303 0.000 1.334 49 L HN 0.110 nan 8.230 nan 0.000 0.407 50 F N 3.201 123.066 119.950 -0.141 0.000 2.529 50 F HA 0.620 5.147 4.527 0.001 0.000 0.320 50 F C 0.088 175.807 175.800 -0.136 0.000 1.118 50 F CA -0.364 57.572 58.000 -0.107 0.000 0.915 50 F CB 2.130 41.102 39.000 -0.045 0.000 1.161 50 F HN 0.504 nan 8.300 nan 0.000 0.445 51 N N 0.440 119.120 118.700 -0.032 0.000 2.701 51 N HA 0.201 4.941 4.740 0.001 0.000 0.290 51 N C 0.514 175.874 175.510 -0.251 0.000 1.338 51 N CA -0.782 52.201 53.050 -0.113 0.000 0.799 51 N CB 0.898 39.310 38.487 -0.126 0.000 1.491 51 N HN 0.570 nan 8.380 nan 0.000 0.540 52 E N 0.541 120.575 120.200 -0.277 0.000 2.448 52 E HA -0.235 4.116 4.350 0.001 0.000 0.203 52 E C -0.042 176.359 176.600 -0.332 0.000 1.046 52 E CA 1.179 57.335 56.400 -0.406 0.000 0.871 52 E CB -0.370 29.311 29.700 -0.031 0.000 0.790 52 E HN 0.675 nan 8.360 nan 0.000 0.545 53 D N 2.174 122.447 120.400 -0.212 0.000 2.117 53 D HA -0.173 4.467 4.640 0.001 0.000 0.198 53 D C 2.242 178.451 176.300 -0.152 0.000 0.982 53 D CA 1.812 55.737 54.000 -0.125 0.000 0.828 53 D CB -1.045 39.712 40.800 -0.072 0.000 0.967 53 D HN 0.303 nan 8.370 nan 0.000 0.464 54 V N -1.003 118.784 119.914 -0.211 0.000 2.688 54 V HA -0.271 3.849 4.120 0.001 0.000 0.256 54 V C 2.032 177.994 176.094 -0.220 0.000 1.084 54 V CA 1.124 63.330 62.300 -0.157 0.000 1.103 54 V CB -1.334 30.426 31.823 -0.105 0.000 0.688 54 V HN -0.022 nan 8.190 nan 0.000 0.480 55 Y N 1.189 121.404 120.300 -0.143 0.000 2.373 55 Y HA -0.016 4.535 4.550 0.001 0.000 0.293 55 Y C 2.865 178.573 175.900 -0.320 0.000 1.129 55 Y CA 0.841 58.773 58.100 -0.279 0.000 1.226 55 Y CB -1.451 36.866 38.460 -0.238 0.000 1.000 55 Y HN 0.289 nan 8.280 nan 0.000 0.549 56 K N 0.661 121.013 120.400 -0.079 0.000 2.081 56 K HA -0.263 4.058 4.320 0.001 0.000 0.222 56 K C 1.241 177.743 176.600 -0.163 0.000 1.055 56 K CA 2.421 58.652 56.287 -0.093 0.000 0.954 56 K CB -0.973 31.500 32.500 -0.044 0.000 0.732 56 K HN 0.502 nan 8.250 nan 0.000 0.458 57 D N -0.506 119.764 120.400 -0.217 0.000 2.340 57 D HA 0.133 4.774 4.640 0.001 0.000 0.220 57 D C 0.319 176.201 176.300 -0.697 0.000 1.039 57 D CA 0.291 54.122 54.000 -0.281 0.000 0.866 57 D CB -0.089 40.718 40.800 0.012 0.000 0.913 57 D HN 0.478 nan 8.370 nan 0.000 0.523 58 M N 1.444 120.508 119.600 -0.893 0.000 2.146 58 M HA 0.074 4.554 4.480 0.001 0.000 0.352 58 M C 0.663 176.416 176.300 -0.913 0.000 1.343 58 M CA -0.315 54.171 55.300 -1.355 0.000 1.115 58 M CB 1.147 32.694 32.600 -1.756 0.000 1.657 58 M HN -0.240 nan 8.290 nan 0.000 0.471 59 D N 1.403 121.470 120.400 -0.554 0.000 2.339 59 D HA -0.063 4.578 4.640 0.001 0.000 0.217 59 D C 0.784 176.999 176.300 -0.141 0.000 1.050 59 D CA 0.044 53.894 54.000 -0.251 0.000 0.856 59 D CB -0.216 40.543 40.800 -0.067 0.000 0.922 59 D HN 0.785 nan 8.370 nan 0.000 0.518 60 W N -0.410 120.763 121.300 -0.211 0.000 3.005 60 W HA 0.432 5.092 4.660 0.001 0.000 0.374 60 W C 0.679 177.082 176.519 -0.194 0.000 1.076 60 W CA -0.634 56.594 57.345 -0.195 0.000 1.794 60 W CB -0.552 28.785 29.460 -0.204 0.000 1.113 60 W HN -0.202 nan 8.180 nan 0.000 0.584 61 L N 1.364 122.275 121.223 -0.520 0.000 2.450 61 L HA -0.088 4.253 4.340 0.001 0.000 0.224 61 L C 0.818 177.553 176.870 -0.227 0.000 1.149 61 L CA 1.390 55.983 54.840 -0.412 0.000 0.816 61 L CB -0.397 41.295 42.059 -0.612 0.000 0.932 61 L HN 0.012 nan 8.230 nan 0.000 0.449 62 D N -0.291 119.998 120.400 -0.184 0.000 2.945 62 D HA 0.100 4.741 4.640 0.001 0.000 0.366 62 D C 0.071 176.240 176.300 -0.218 0.000 1.352 62 D CA -0.105 53.778 54.000 -0.194 0.000 0.810 62 D CB 0.346 41.054 40.800 -0.154 0.000 1.170 62 D HN 0.073 nan 8.370 nan 0.000 0.461 63 T N -2.647 111.798 114.554 -0.182 0.000 2.950 63 T HA 0.640 4.991 4.350 0.001 0.000 0.288 63 T C -0.327 174.240 174.700 -0.222 0.000 1.035 63 T CA -0.629 61.396 62.100 -0.124 0.000 1.028 63 T CB 1.459 70.309 68.868 -0.030 0.000 1.109 63 T HN -0.058 nan 8.240 nan 0.000 0.514 64 Y N -0.095 120.307 120.300 0.171 0.000 2.468 64 Y HA 0.644 5.194 4.550 0.001 0.000 0.342 64 Y C 0.702 176.731 175.900 0.214 0.000 1.021 64 Y CA -1.232 56.983 58.100 0.192 0.000 1.079 64 Y CB 1.626 40.119 38.460 0.055 0.000 1.226 64 Y HN 1.068 nan 8.280 nan 0.000 0.460 65 A N 0.948 123.994 122.820 0.377 0.000 2.445 65 A HA 0.443 4.763 4.320 0.001 0.000 0.242 65 A C 1.197 178.932 177.584 0.252 0.000 1.075 65 A CA 0.395 52.617 52.037 0.310 0.000 0.777 65 A CB -0.827 18.330 19.000 0.262 0.000 1.013 65 A HN 1.610 nan 8.150 nan 0.000 0.493 66 G N -0.205 108.782 108.800 0.310 0.000 2.221 66 G HA2 -0.177 3.783 3.960 0.001 0.000 0.265 66 G HA3 -0.177 3.783 3.960 0.001 0.000 0.265 66 G C -0.181 174.816 174.900 0.162 0.000 1.041 66 G CA 0.777 46.100 45.100 0.371 0.000 0.807 66 G HN 1.038 nan 8.290 nan 0.000 0.502 67 I N -0.255 120.172 120.570 -0.239 0.000 2.680 67 I HA 0.336 4.506 4.170 0.001 0.000 0.291 67 I C -2.430 173.137 176.117 -0.916 0.000 1.244 67 I CA -2.364 58.653 61.300 -0.472 0.000 1.042 67 I CB 2.624 40.538 38.000 -0.142 0.000 1.277 67 I HN -0.178 nan 8.210 nan 0.000 0.423 68 P HA 0.012 nan 4.420 nan 0.000 0.263 68 P C -2.093 174.971 177.300 -0.393 0.000 1.175 68 P CA -0.551 62.068 63.100 -0.802 0.000 0.761 68 P CB -0.126 31.315 31.700 -0.432 0.000 0.794 69 P HA 0.170 nan 4.420 nan 0.000 0.253 69 P C -0.384 176.910 177.300 -0.010 0.000 1.459 69 P CA -0.478 62.525 63.100 -0.162 0.000 0.908 69 P CB -0.380 31.258 31.700 -0.105 0.000 1.470 70 F N -2.221 117.698 119.950 -0.053 0.000 3.090 70 F HA -0.224 4.304 4.527 0.001 0.000 0.282 70 F C 1.846 177.586 175.800 -0.099 0.000 0.923 70 F CA 0.408 58.382 58.000 -0.044 0.000 0.977 70 F CB -2.520 36.471 39.000 -0.014 0.000 0.954 70 F HN -0.048 nan 8.300 nan 0.000 0.695 71 V N 0.462 120.323 119.914 -0.088 0.000 2.287 71 V HA -0.286 3.835 4.120 0.001 0.000 0.248 71 V C 2.375 178.362 176.094 -0.178 0.000 1.053 71 V CA 2.676 64.826 62.300 -0.250 0.000 1.027 71 V CB -0.242 31.315 31.823 -0.443 0.000 0.646 71 V HN 0.541 nan 8.190 nan 0.000 0.447 72 H N 0.404 119.515 119.070 0.067 0.000 2.563 72 H HA 0.403 4.960 4.556 0.001 0.000 0.272 72 H C 0.918 176.345 175.328 0.166 0.000 1.005 72 H CA 0.854 56.958 56.048 0.095 0.000 1.171 72 H CB -0.524 29.290 29.762 0.086 0.000 1.351 72 H HN 0.602 nan 8.280 nan 0.000 0.602 73 G N 0.683 109.615 108.800 0.221 0.000 2.375 73 G HA2 -0.123 3.837 3.960 0.001 0.000 0.663 73 G HA3 -0.123 3.837 3.960 0.001 0.000 0.663 73 G C -2.218 172.741 174.900 0.098 0.000 1.391 73 G CA -0.500 44.677 45.100 0.128 0.000 0.949 73 G HN -0.125 nan 8.290 nan 0.000 0.646 74 P HA 0.027 nan 4.420 nan 0.000 0.220 74 P C 0.091 177.363 177.300 -0.048 0.000 1.152 74 P CA 1.106 64.041 63.100 -0.274 0.000 0.812 74 P CB 0.069 31.357 31.700 -0.687 0.000 0.792 75 Y N -0.700 119.685 120.300 0.142 0.000 2.361 75 Y HA 0.538 5.088 4.550 0.001 0.000 0.332 75 Y C 1.939 177.915 175.900 0.126 0.000 1.101 75 Y CA -1.418 56.756 58.100 0.124 0.000 1.137 75 Y CB 0.046 38.563 38.460 0.095 0.000 1.207 75 Y HN -0.140 nan 8.280 nan 0.000 0.463 76 A N 1.199 124.166 122.820 0.245 0.000 1.972 76 A HA -0.159 4.161 4.320 0.001 0.000 0.219 76 A C 1.850 179.512 177.584 0.130 0.000 1.169 76 A CA 2.257 54.394 52.037 0.165 0.000 0.635 76 A CB -0.990 18.073 19.000 0.104 0.000 0.810 76 A HN 0.853 nan 8.150 nan 0.000 0.446 77 T N -4.946 109.677 114.554 0.114 0.000 3.040 77 T HA 0.346 4.697 4.350 0.001 0.000 0.250 77 T C 1.089 175.883 174.700 0.156 0.000 1.058 77 T CA 0.425 62.594 62.100 0.114 0.000 0.988 77 T CB -0.142 68.773 68.868 0.078 0.000 0.993 77 T HN 0.185 nan 8.240 nan 0.000 0.519 78 M N 1.117 120.821 119.600 0.173 0.000 7.319 78 M HA -0.287 4.194 4.480 0.001 0.000 0.308 78 M C 1.077 177.499 176.300 0.202 0.000 0.480 78 M CA 1.848 57.193 55.300 0.074 0.000 1.311 78 M CB -2.101 30.289 32.600 -0.351 0.000 0.421 78 M HN 0.347 nan 8.290 nan 0.000 0.914 79 Y N 0.135 120.455 120.300 0.033 0.000 2.583 79 Y HA 0.340 4.890 4.550 0.001 0.000 0.293 79 Y C 2.350 178.302 175.900 0.086 0.000 1.157 79 Y CA 0.787 58.936 58.100 0.081 0.000 1.315 79 Y CB -1.634 36.902 38.460 0.127 0.000 1.021 79 Y HN 0.594 nan 8.280 nan 0.000 0.536 80 A N -0.257 122.704 122.820 0.235 0.000 1.933 80 A HA -0.200 4.120 4.320 0.001 0.000 0.218 80 A C 2.044 179.750 177.584 0.202 0.000 1.175 80 A CA 1.727 53.871 52.037 0.179 0.000 0.628 80 A CB -0.931 18.159 19.000 0.150 0.000 0.814 80 A HN 0.429 nan 8.150 nan 0.000 0.444 81 F N -1.300 118.693 119.950 0.071 0.000 2.383 81 F HA 0.391 4.919 4.527 0.001 0.000 0.287 81 F C 0.852 176.671 175.800 0.031 0.000 1.069 81 F CA 0.712 58.737 58.000 0.042 0.000 1.402 81 F CB 0.357 39.379 39.000 0.037 0.000 1.116 81 F HN 0.092 nan 8.300 nan 0.000 0.549 82 R N 0.596 121.118 120.500 0.036 0.000 2.536 82 R HA 0.298 4.639 4.340 0.001 0.000 0.269 82 R C -3.000 173.319 176.300 0.032 0.000 1.113 82 R CA -1.951 54.070 56.100 -0.132 0.000 0.948 82 R CB 1.938 32.124 30.300 -0.189 0.000 1.237 82 R HN -0.134 nan 8.270 nan 0.000 0.441 83 P HA 0.165 nan 4.420 nan 0.000 0.278 83 P C -0.759 176.289 177.300 -0.420 0.000 1.266 83 P CA -0.477 62.348 63.100 -0.458 0.000 0.807 83 P CB 0.398 31.643 31.700 -0.758 0.000 1.094 84 W N 0.185 121.149 121.300 -0.559 0.000 2.089 84 W HA 0.301 4.962 4.660 0.001 0.000 0.355 84 W C -0.631 175.816 176.519 -0.120 0.000 1.305 84 W CA -0.236 56.982 57.345 -0.210 0.000 1.281 84 W CB -1.535 27.793 29.460 -0.219 0.000 1.183 84 W HN 0.142 nan 8.180 nan 0.000 0.604 85 T N 3.661 118.260 114.554 0.076 0.000 2.832 85 T HA 0.244 4.595 4.350 0.001 0.000 0.296 85 T C 0.293 175.028 174.700 0.058 0.000 0.968 85 T CA -0.393 61.692 62.100 -0.025 0.000 1.107 85 T CB 0.313 69.206 68.868 0.041 0.000 0.916 85 T HN 0.325 nan 8.240 nan 0.000 0.517 86 I N 3.988 124.534 120.570 -0.040 0.000 2.406 86 I HA 0.149 4.320 4.170 0.001 0.000 0.293 86 I C 1.012 177.178 176.117 0.081 0.000 1.101 86 I CA 0.226 61.575 61.300 0.082 0.000 1.334 86 I CB 0.071 38.061 38.000 -0.017 0.000 1.421 86 I HN 0.387 nan 8.210 nan 0.000 0.513 87 R N 6.536 127.127 120.500 0.152 0.000 2.396 87 R HA 0.207 4.548 4.340 0.001 0.000 0.292 87 R C -0.659 175.755 176.300 0.190 0.000 1.240 87 R CA -0.664 55.507 56.100 0.118 0.000 1.270 87 R CB 0.561 30.922 30.300 0.102 0.000 1.108 87 R HN 0.528 nan 8.270 nan 0.000 0.573 88 Q N 2.703 122.594 119.800 0.152 0.000 2.304 88 Q HA 0.001 4.341 4.340 0.001 0.000 0.260 88 Q C -0.691 175.502 176.000 0.322 0.000 0.965 88 Q CA -0.094 55.901 55.803 0.321 0.000 0.898 88 Q CB 1.062 29.894 28.738 0.156 0.000 1.196 88 Q HN 0.404 nan 8.270 nan 0.000 0.402 89 Y N 1.710 122.174 120.300 0.273 0.000 2.425 89 Y HA 0.352 4.902 4.550 0.001 0.000 0.331 89 Y C -0.409 175.557 175.900 0.109 0.000 1.157 89 Y CA -0.497 57.580 58.100 -0.038 0.000 1.372 89 Y CB 0.482 38.719 38.460 -0.371 0.000 1.253 89 Y HN 0.668 nan 8.280 nan 0.000 0.536 90 A N 2.828 125.599 122.820 -0.082 0.000 2.583 90 A HA 0.742 5.062 4.320 0.001 0.000 0.292 90 A C -0.780 176.898 177.584 0.156 0.000 1.045 90 A CA -0.158 51.973 52.037 0.156 0.000 0.672 90 A CB 0.913 20.233 19.000 0.533 0.000 1.283 90 A HN 1.620 nan 8.150 nan 0.000 0.419 91 G N -0.099 108.841 108.800 0.233 0.000 2.169 91 G HA2 0.717 4.678 3.960 0.001 0.000 0.286 91 G HA3 0.717 4.678 3.960 0.001 0.000 0.286 91 G C -1.188 173.799 174.900 0.145 0.000 1.742 91 G CA 0.175 45.333 45.100 0.095 0.000 0.904 91 G HN 2.190 nan 8.290 nan 0.000 0.735 92 F N 0.990 120.878 119.950 -0.104 0.000 2.678 92 F HA 0.854 5.381 4.527 0.001 0.000 0.308 92 F C 0.601 176.351 175.800 -0.084 0.000 1.118 92 F CA -0.113 57.831 58.000 -0.093 0.000 0.959 92 F CB 1.233 40.159 39.000 -0.124 0.000 1.305 92 F HN 1.598 nan 8.300 nan 0.000 0.443 93 S N 0.813 116.518 115.700 0.009 0.000 4.137 93 S HA -0.250 4.221 4.470 0.001 0.000 0.550 93 S C 0.401 174.901 174.600 -0.166 0.000 1.887 93 S CA 2.230 60.388 58.200 -0.069 0.000 4.230 93 S CB -2.027 61.153 63.200 -0.033 0.000 0.378 93 S HN 2.182 nan 8.310 nan 0.000 0.490 94 T N -0.368 114.043 114.554 -0.237 0.000 2.943 94 T HA 0.821 5.172 4.350 0.001 0.000 0.284 94 T C 1.254 175.783 174.700 -0.286 0.000 1.015 94 T CA 0.342 62.320 62.100 -0.203 0.000 1.042 94 T CB 1.419 70.198 68.868 -0.147 0.000 1.055 94 T HN 1.420 nan 8.240 nan 0.000 0.500 95 A N 1.804 124.497 122.820 -0.211 0.000 1.908 95 A HA -0.093 4.228 4.320 0.001 0.000 0.218 95 A C 2.322 179.739 177.584 -0.279 0.000 1.181 95 A CA 1.782 53.671 52.037 -0.247 0.000 0.627 95 A CB -0.910 18.002 19.000 -0.147 0.000 0.818 95 A HN 0.961 nan 8.150 nan 0.000 0.445 96 K N -0.431 119.844 120.400 -0.209 0.000 2.032 96 K HA -0.201 4.119 4.320 0.001 0.000 0.209 96 K C 2.047 178.518 176.600 -0.215 0.000 1.048 96 K CA 1.881 58.061 56.287 -0.178 0.000 0.927 96 K CB -0.236 32.193 32.500 -0.118 0.000 0.712 96 K HN 0.662 nan 8.250 nan 0.000 0.441 97 E N 0.271 120.308 120.200 -0.272 0.000 2.047 97 E HA -0.130 4.221 4.350 0.001 0.000 0.191 97 E C 2.225 178.566 176.600 -0.431 0.000 0.987 97 E CA 1.137 57.356 56.400 -0.302 0.000 0.799 97 E CB -0.006 29.442 29.700 -0.421 0.000 0.752 97 E HN 0.135 nan 8.360 nan 0.000 0.449 98 S N 1.023 116.309 115.700 -0.689 0.000 2.353 98 S HA -0.223 4.247 4.470 0.001 0.000 0.222 98 S C 1.804 175.920 174.600 -0.807 0.000 1.035 98 S CA 1.285 59.040 58.200 -0.742 0.000 1.025 98 S CB -0.484 62.246 63.200 -0.783 0.000 0.902 98 S HN 0.349 nan 8.310 nan 0.000 0.440 99 N N 1.604 119.899 118.700 -0.675 0.000 2.104 99 N HA -0.157 4.583 4.740 0.001 0.000 0.190 99 N C 1.795 177.184 175.510 -0.202 0.000 1.024 99 N CA 1.505 54.267 53.050 -0.481 0.000 0.853 99 N CB -0.290 38.008 38.487 -0.315 0.000 1.008 99 N HN 0.381 nan 8.380 nan 0.000 0.424 100 A N 0.447 123.199 122.820 -0.114 0.000 1.898 100 A HA -0.107 4.214 4.320 0.001 0.000 0.216 100 A C 2.055 179.702 177.584 0.105 0.000 1.181 100 A CA 0.886 52.926 52.037 0.004 0.000 0.620 100 A CB -1.010 17.999 19.000 0.014 0.000 0.819 100 A HN 0.434 nan 8.150 nan 0.000 0.442 101 F N -0.013 119.930 119.950 -0.011 0.000 2.075 101 F HA -0.165 4.363 4.527 0.001 0.000 0.297 101 F C 2.192 178.088 175.800 0.161 0.000 1.113 101 F CA 1.484 59.553 58.000 0.115 0.000 1.218 101 F CB -0.662 38.504 39.000 0.276 0.000 0.984 101 F HN 0.338 nan 8.300 nan 0.000 0.472 102 Y N 0.618 120.891 120.300 -0.046 0.000 2.207 102 Y HA -0.169 4.382 4.550 0.001 0.000 0.287 102 Y C 2.576 178.423 175.900 -0.089 0.000 1.156 102 Y CA 1.171 59.201 58.100 -0.116 0.000 1.182 102 Y CB -1.509 36.911 38.460 -0.066 0.000 0.979 102 Y HN 0.116 nan 8.280 nan 0.000 0.521 103 R N -0.167 120.386 120.500 0.087 0.000 2.073 103 R HA -0.058 4.282 4.340 0.001 0.000 0.229 103 R C 2.414 178.723 176.300 0.016 0.000 1.120 103 R CA 0.858 56.988 56.100 0.051 0.000 0.967 103 R CB -0.235 30.092 30.300 0.044 0.000 0.862 103 R HN 0.283 nan 8.270 nan 0.000 0.436 104 R N 0.665 121.168 120.500 0.005 0.000 2.080 104 R HA -0.083 4.258 4.340 0.001 0.000 0.236 104 R C 1.936 178.204 176.300 -0.054 0.000 1.137 104 R CA 1.509 57.605 56.100 -0.006 0.000 0.943 104 R CB -0.389 29.928 30.300 0.029 0.000 0.846 104 R HN 0.269 nan 8.270 nan 0.000 0.431 105 N N 1.007 119.622 118.700 -0.143 0.000 2.104 105 N HA -0.164 4.576 4.740 0.001 0.000 0.190 105 N C 1.986 177.443 175.510 -0.088 0.000 1.024 105 N CA 1.116 54.062 53.050 -0.174 0.000 0.853 105 N CB -0.414 37.891 38.487 -0.305 0.000 1.008 105 N HN 0.193 nan 8.380 nan 0.000 0.424 106 L N 0.798 121.989 121.223 -0.053 0.000 1.989 106 L HA -0.165 4.176 4.340 0.001 0.000 0.211 106 L C 2.432 179.288 176.870 -0.024 0.000 1.071 106 L CA 1.413 56.236 54.840 -0.028 0.000 0.749 106 L CB -0.583 41.478 42.059 0.003 0.000 0.890 106 L HN 0.142 nan 8.230 nan 0.000 0.431 107 A N -0.243 122.568 122.820 -0.015 0.000 1.978 107 A HA -0.157 4.164 4.320 0.001 0.000 0.220 107 A C 2.250 179.825 177.584 -0.015 0.000 1.170 107 A CA 1.716 53.747 52.037 -0.010 0.000 0.636 107 A CB -0.623 18.377 19.000 0.000 0.000 0.810 107 A HN 0.443 nan 8.150 nan 0.000 0.448 108 A N -2.232 120.574 122.820 -0.022 0.000 2.238 108 A HA 0.435 4.756 4.320 0.001 0.000 0.208 108 A C 1.603 179.170 177.584 -0.028 0.000 1.177 108 A CA 1.240 53.264 52.037 -0.020 0.000 0.804 108 A CB -0.672 18.318 19.000 -0.017 0.000 0.823 108 A HN 1.752 nan 8.150 nan 0.000 0.482 109 G N -1.503 107.275 108.800 -0.037 0.000 2.296 109 G HA2 -0.188 3.772 3.960 0.001 0.000 0.188 109 G HA3 -0.188 3.772 3.960 0.001 0.000 0.188 109 G C 0.232 175.099 174.900 -0.056 0.000 1.000 109 G CA 0.092 45.164 45.100 -0.046 0.000 0.672 109 G HN 0.628 nan 8.290 nan 0.000 0.483 110 Q N 0.448 120.215 119.800 -0.055 0.000 2.330 110 Q HA 0.503 4.844 4.340 0.001 0.000 0.279 110 Q C 1.334 177.299 176.000 -0.058 0.000 1.024 110 Q CA 0.721 56.490 55.803 -0.056 0.000 0.900 110 Q CB 0.903 29.602 28.738 -0.065 0.000 1.221 110 Q HN 0.250 nan 8.270 nan 0.000 0.396 111 K N 2.001 122.364 120.400 -0.063 0.000 2.329 111 K HA 0.272 4.592 4.320 0.001 0.000 0.198 111 K C -0.139 176.429 176.600 -0.054 0.000 1.085 111 K CA 0.992 57.238 56.287 -0.068 0.000 0.961 111 K CB 0.607 33.047 32.500 -0.101 0.000 0.971 111 K HN 0.595 nan 8.250 nan 0.000 0.502 112 G N 0.568 109.338 108.800 -0.050 0.000 2.519 112 G HA2 0.552 4.513 3.960 0.001 0.000 0.307 112 G HA3 0.552 4.513 3.960 0.001 0.000 0.307 112 G C -1.397 173.456 174.900 -0.078 0.000 1.266 112 G CA -0.730 44.336 45.100 -0.057 0.000 0.970 112 G HN 0.088 nan 8.290 nan 0.000 0.481 113 L N 0.587 121.751 121.223 -0.099 0.000 2.360 113 L HA 0.705 5.045 4.340 0.001 0.000 0.271 113 L C 0.369 177.125 176.870 -0.190 0.000 1.057 113 L CA -0.715 54.011 54.840 -0.189 0.000 0.803 113 L CB 2.022 43.965 42.059 -0.193 0.000 1.207 113 L HN 0.518 nan 8.230 nan 0.000 0.445 114 S N 1.206 116.760 115.700 -0.244 0.000 2.736 114 S HA 0.493 4.963 4.470 0.001 0.000 0.285 114 S C -0.969 173.558 174.600 -0.121 0.000 1.163 114 S CA -0.558 57.569 58.200 -0.122 0.000 1.025 114 S CB 1.285 64.466 63.200 -0.033 0.000 1.030 114 S HN 0.229 nan 8.310 nan 0.000 0.486 115 V N 4.129 123.985 119.914 -0.096 0.000 2.432 115 V HA 0.747 4.867 4.120 0.001 0.000 0.275 115 V C 0.556 176.448 176.094 -0.336 0.000 1.043 115 V CA -0.517 61.637 62.300 -0.243 0.000 0.925 115 V CB 1.037 32.648 31.823 -0.353 0.000 0.985 115 V HN 0.987 nan 8.190 nan 0.000 0.466 116 A N 5.494 128.018 122.820 -0.495 0.000 2.258 116 A HA 0.821 5.142 4.320 0.001 0.000 0.316 116 A C -0.864 176.498 177.584 -0.369 0.000 1.279 116 A CA -0.333 51.398 52.037 -0.510 0.000 0.876 116 A CB 0.195 18.652 19.000 -0.905 0.000 1.170 116 A HN 0.584 nan 8.150 nan 0.000 0.520 117 F N 1.601 121.564 119.950 0.021 0.000 2.397 117 F HA 0.370 4.897 4.527 0.001 0.000 0.331 117 F C 0.872 176.705 175.800 0.055 0.000 1.090 117 F CA -0.691 57.279 58.000 -0.050 0.000 1.065 117 F CB 1.245 40.058 39.000 -0.311 0.000 1.184 117 F HN 0.734 nan 8.300 nan 0.000 0.499 118 D N 1.200 121.761 120.400 0.268 0.000 2.361 118 D HA 0.022 4.663 4.640 0.001 0.000 0.239 118 D C 1.103 177.599 176.300 0.327 0.000 1.200 118 D CA -0.179 53.966 54.000 0.242 0.000 0.915 118 D CB 0.548 41.441 40.800 0.155 0.000 1.170 118 D HN 0.506 nan 8.370 nan 0.000 0.444 119 L N 0.439 121.825 121.223 0.271 0.000 1.990 119 L HA -0.129 4.211 4.340 0.001 0.000 0.213 119 L C -0.534 176.457 176.870 0.202 0.000 1.072 119 L CA 1.614 56.597 54.840 0.238 0.000 0.755 119 L CB -1.569 40.581 42.059 0.151 0.000 0.889 119 L HN 0.446 nan 8.230 nan 0.000 0.432 120 P HA -0.128 nan 4.420 nan 0.000 0.215 120 P C 1.601 178.982 177.300 0.135 0.000 1.153 120 P CA 1.532 64.742 63.100 0.183 0.000 0.853 120 P CB -0.198 31.581 31.700 0.133 0.000 0.788 121 T N -0.921 113.682 114.554 0.082 0.000 2.652 121 T HA -0.203 4.148 4.350 0.001 0.000 0.267 121 T C 1.697 176.340 174.700 -0.095 0.000 1.039 121 T CA 1.362 63.445 62.100 -0.027 0.000 1.153 121 T CB -1.147 67.697 68.868 -0.041 0.000 0.863 121 T HN 0.249 nan 8.240 nan 0.000 0.428 122 H N 1.421 120.463 119.070 -0.047 0.000 2.319 122 H HA -0.022 4.535 4.556 0.001 0.000 0.297 122 H C 1.946 177.169 175.328 -0.175 0.000 1.097 122 H CA 1.291 57.278 56.048 -0.102 0.000 1.285 122 H CB -0.064 29.671 29.762 -0.045 0.000 1.368 122 H HN 0.300 nan 8.280 nan 0.000 0.495 123 R N 0.325 120.804 120.500 -0.034 0.000 2.423 123 R HA 0.111 4.452 4.340 0.001 0.000 0.248 123 R C 0.864 176.865 176.300 -0.498 0.000 1.019 123 R CA 0.421 56.380 56.100 -0.234 0.000 1.119 123 R CB 0.258 30.449 30.300 -0.182 0.000 1.176 123 R HN 0.381 nan 8.270 nan 0.000 0.526 124 G N 0.912 109.484 108.800 -0.380 0.000 2.198 124 G HA2 -0.305 3.656 3.960 0.001 0.000 0.260 124 G HA3 -0.305 3.656 3.960 0.001 0.000 0.260 124 G C -0.505 174.162 174.900 -0.388 0.000 1.025 124 G CA 0.203 45.073 45.100 -0.384 0.000 0.769 124 G HN 0.330 nan 8.290 nan 0.000 0.507 125 Y N 0.279 120.540 120.300 -0.065 0.000 2.429 125 Y HA 0.549 5.100 4.550 0.001 0.000 0.342 125 Y C 0.458 176.338 175.900 -0.032 0.000 1.004 125 Y CA -1.499 56.574 58.100 -0.045 0.000 1.075 125 Y CB 1.316 39.746 38.460 -0.048 0.000 1.214 125 Y HN 0.054 nan 8.280 nan 0.000 0.455 126 D N 0.151 120.638 120.400 0.145 0.000 2.312 126 D HA 0.135 4.776 4.640 0.001 0.000 0.248 126 D C 0.722 177.061 176.300 0.065 0.000 1.086 126 D CA -0.052 53.991 54.000 0.073 0.000 0.948 126 D CB 1.556 42.380 40.800 0.040 0.000 1.162 126 D HN 0.560 nan 8.370 nan 0.000 0.446 127 S N 0.400 116.126 115.700 0.044 0.000 2.440 127 S HA -0.204 4.266 4.470 0.001 0.000 0.240 127 S C 1.036 175.649 174.600 0.022 0.000 1.014 127 S CA 1.314 59.534 58.200 0.034 0.000 0.980 127 S CB -0.199 63.019 63.200 0.030 0.000 0.775 127 S HN 0.576 nan 8.310 nan 0.000 0.499 128 D N 0.497 120.909 120.400 0.020 0.000 2.339 128 D HA 0.032 4.673 4.640 0.001 0.000 0.217 128 D C 0.249 176.555 176.300 0.009 0.000 1.050 128 D CA -0.218 53.790 54.000 0.013 0.000 0.856 128 D CB -0.569 40.238 40.800 0.012 0.000 0.922 128 D HN 0.109 nan 8.370 nan 0.000 0.518 129 N N 1.745 120.454 118.700 0.015 0.000 2.452 129 N HA 0.022 4.762 4.740 0.001 0.000 0.266 129 N C -1.424 174.067 175.510 -0.031 0.000 1.175 129 N CA -1.280 51.772 53.050 0.003 0.000 0.945 129 N CB 1.546 40.042 38.487 0.016 0.000 1.063 129 N HN -0.110 nan 8.380 nan 0.000 0.472 130 P HA -0.118 nan 4.420 nan 0.000 0.219 130 P C 0.728 177.992 177.300 -0.060 0.000 1.146 130 P CA 1.274 64.352 63.100 -0.036 0.000 0.808 130 P CB 0.295 31.982 31.700 -0.022 0.000 0.779 131 R N -0.121 120.319 120.500 -0.101 0.000 2.189 131 R HA -0.013 4.328 4.340 0.001 0.000 0.223 131 R C 1.825 178.022 176.300 -0.172 0.000 1.092 131 R CA 1.281 57.295 56.100 -0.144 0.000 0.989 131 R CB -0.491 29.669 30.300 -0.234 0.000 0.876 131 R HN 0.252 nan 8.270 nan 0.000 0.457 132 V N -4.346 115.468 119.914 -0.166 0.000 3.528 132 V HA 0.410 4.530 4.120 0.001 0.000 0.294 132 V C 1.802 177.865 176.094 -0.050 0.000 1.404 132 V CA 0.422 62.646 62.300 -0.127 0.000 1.065 132 V CB 0.545 32.276 31.823 -0.154 0.000 0.904 132 V HN 0.103 nan 8.190 nan 0.000 0.435 133 A N 2.113 124.910 122.820 -0.039 0.000 1.940 133 A HA -0.136 4.185 4.320 0.001 0.000 0.221 133 A C 2.280 179.858 177.584 -0.010 0.000 1.190 133 A CA 2.565 54.591 52.037 -0.018 0.000 0.647 133 A CB -1.382 17.608 19.000 -0.017 0.000 0.821 133 A HN 0.873 nan 8.150 nan 0.000 0.457 134 G N -1.335 107.458 108.800 -0.011 0.000 2.471 134 G HA2 -0.096 3.865 3.960 0.001 0.000 0.219 134 G HA3 -0.096 3.865 3.960 0.001 0.000 0.219 134 G C 0.904 175.807 174.900 0.006 0.000 1.125 134 G CA 1.047 46.142 45.100 -0.008 0.000 0.775 134 G HN 0.546 nan 8.290 nan 0.000 0.548 135 D N 0.092 120.504 120.400 0.019 0.000 2.369 135 D HA 0.087 4.728 4.640 0.001 0.000 0.211 135 D C 0.616 176.945 176.300 0.049 0.000 1.077 135 D CA -0.068 53.959 54.000 0.044 0.000 0.842 135 D CB 0.964 41.801 40.800 0.061 0.000 0.947 135 D HN 0.031 nan 8.370 nan 0.000 0.509 136 V N 1.262 121.196 119.914 0.033 0.000 2.434 136 V HA 0.216 4.337 4.120 0.001 0.000 0.281 136 V C 1.601 177.719 176.094 0.041 0.000 1.005 136 V CA 0.807 63.130 62.300 0.038 0.000 1.089 136 V CB 0.193 32.031 31.823 0.025 0.000 0.978 136 V HN 0.454 nan 8.190 nan 0.000 0.474 137 G N 5.113 113.946 108.800 0.056 0.000 2.168 137 G HA2 -0.281 3.679 3.960 0.001 0.000 0.257 137 G HA3 -0.281 3.679 3.960 0.001 0.000 0.257 137 G C 0.572 175.516 174.900 0.074 0.000 0.997 137 G CA 0.491 45.623 45.100 0.054 0.000 0.708 137 G HN 0.517 nan 8.290 nan 0.000 0.520 138 M N -0.712 118.937 119.600 0.081 0.000 2.435 138 M HA 0.379 4.860 4.480 0.001 0.000 0.265 138 M C 2.340 178.706 176.300 0.109 0.000 1.104 138 M CA 1.531 56.882 55.300 0.085 0.000 1.140 138 M CB -0.569 32.073 32.600 0.069 0.000 1.372 138 M HN 0.808 nan 8.290 nan 0.000 0.456 139 A N -0.305 122.592 122.820 0.128 0.000 2.508 139 A HA 0.616 4.936 4.320 0.001 0.000 0.257 139 A C 0.892 178.561 177.584 0.142 0.000 1.226 139 A CA 0.428 52.553 52.037 0.146 0.000 0.947 139 A CB 0.087 19.191 19.000 0.174 0.000 1.079 139 A HN 0.478 nan 8.150 nan 0.000 0.531 140 G N -1.642 107.235 108.800 0.127 0.000 2.320 140 G HA2 0.401 4.361 3.960 0.001 0.000 0.296 140 G HA3 0.401 4.361 3.960 0.001 0.000 0.296 140 G C -1.140 173.793 174.900 0.055 0.000 1.306 140 G CA 0.038 45.189 45.100 0.085 0.000 0.836 140 G HN 0.643 nan 8.290 nan 0.000 0.517 141 V N 0.671 120.573 119.914 -0.020 0.000 2.655 141 V HA 0.511 4.631 4.120 0.001 0.000 0.300 141 V C 1.026 177.154 176.094 0.058 0.000 1.044 141 V CA 0.436 62.702 62.300 -0.057 0.000 1.095 141 V CB 0.834 32.562 31.823 -0.159 0.000 0.952 141 V HN 1.794 nan 8.190 nan 0.000 0.485 142 A N 8.558 131.394 122.820 0.027 0.000 2.350 142 A HA 0.579 4.900 4.320 0.001 0.000 0.293 142 A C -0.412 177.218 177.584 0.076 0.000 1.231 142 A CA -0.299 51.773 52.037 0.059 0.000 0.883 142 A CB -0.262 18.755 19.000 0.028 0.000 1.133 142 A HN 0.628 nan 8.150 nan 0.000 0.533 143 I N 2.867 123.505 120.570 0.113 0.000 2.436 143 I HA 0.345 4.515 4.170 0.001 0.000 0.289 143 I C -0.303 175.845 176.117 0.051 0.000 1.010 143 I CA -0.322 61.043 61.300 0.109 0.000 1.098 143 I CB 1.747 39.861 38.000 0.190 0.000 1.266 143 I HN 0.686 nan 8.210 nan 0.000 0.434 144 D N 2.560 122.984 120.400 0.039 0.000 2.457 144 D HA 0.098 4.738 4.640 0.001 0.000 0.254 144 D C 0.647 176.937 176.300 -0.016 0.000 1.097 144 D CA 0.627 54.632 54.000 0.009 0.000 0.870 144 D CB 1.348 42.153 40.800 0.007 0.000 1.253 144 D HN 0.591 nan 8.370 nan 0.000 0.500 145 S N -0.805 114.895 115.700 -0.001 0.000 2.724 145 S HA 0.189 4.659 4.470 0.001 0.000 0.278 145 S C 0.697 175.311 174.600 0.023 0.000 1.190 145 S CA -0.598 57.581 58.200 -0.035 0.000 0.860 145 S CB 0.894 64.007 63.200 -0.146 0.000 1.206 145 S HN -0.153 nan 8.310 nan 0.000 0.507 146 I N 1.224 121.800 120.570 0.011 0.000 2.145 146 I HA -0.144 4.027 4.170 0.001 0.000 0.244 146 I C 1.925 178.157 176.117 0.192 0.000 1.075 146 I CA 2.016 63.364 61.300 0.081 0.000 1.332 146 I CB -0.767 37.269 38.000 0.060 0.000 1.033 146 I HN 0.700 nan 8.210 nan 0.000 0.410 147 Y N 1.675 121.988 120.300 0.021 0.000 1.977 147 Y HA -0.354 4.197 4.550 0.001 0.000 0.264 147 Y C 2.667 178.579 175.900 0.020 0.000 1.167 147 Y CA 1.879 59.988 58.100 0.015 0.000 1.102 147 Y CB -1.703 36.761 38.460 0.007 0.000 0.948 147 Y HN 0.362 nan 8.280 nan 0.000 0.489 148 D N -0.749 119.768 120.400 0.196 0.000 2.133 148 D HA -0.212 4.429 4.640 0.001 0.000 0.195 148 D C 2.219 178.586 176.300 0.112 0.000 0.997 148 D CA 1.505 55.572 54.000 0.112 0.000 0.840 148 D CB -0.227 40.631 40.800 0.097 0.000 0.947 148 D HN 0.266 nan 8.370 nan 0.000 0.452 149 M N 0.600 120.301 119.600 0.168 0.000 2.159 149 M HA -0.078 4.403 4.480 0.001 0.000 0.263 149 M C 2.174 178.630 176.300 0.260 0.000 1.063 149 M CA 1.030 56.483 55.300 0.255 0.000 1.110 149 M CB -0.720 32.044 32.600 0.273 0.000 1.374 149 M HN -0.007 nan 8.290 nan 0.000 0.411 150 R N -0.180 120.425 120.500 0.174 0.000 2.096 150 R HA -0.147 4.194 4.340 0.001 0.000 0.235 150 R C 2.028 178.378 176.300 0.083 0.000 1.127 150 R CA 1.310 57.489 56.100 0.132 0.000 0.968 150 R CB -0.187 30.166 30.300 0.088 0.000 0.861 150 R HN 0.530 nan 8.270 nan 0.000 0.440 151 E N 0.223 120.443 120.200 0.032 0.000 2.112 151 E HA -0.144 4.207 4.350 0.001 0.000 0.190 151 E C 1.861 178.399 176.600 -0.103 0.000 0.979 151 E CA 0.509 56.890 56.400 -0.033 0.000 0.814 151 E CB 0.044 29.715 29.700 -0.048 0.000 0.762 151 E HN 0.056 nan 8.360 nan 0.000 0.460 152 L N -0.220 120.904 121.223 -0.165 0.000 2.093 152 L HA -0.096 4.244 4.340 0.001 0.000 0.208 152 L C 1.245 177.777 176.870 -0.563 0.000 1.085 152 L CA 1.646 56.225 54.840 -0.435 0.000 0.755 152 L CB -0.048 41.639 42.059 -0.620 0.000 0.904 152 L HN 0.043 nan 8.230 nan 0.000 0.435 153 F N -0.129 119.881 119.950 0.099 0.000 2.641 153 F HA 0.435 4.963 4.527 0.001 0.000 0.302 153 F C 1.266 177.102 175.800 0.061 0.000 1.098 153 F CA -0.200 57.869 58.000 0.114 0.000 1.318 153 F CB -1.022 38.057 39.000 0.130 0.000 1.035 153 F HN -0.032 nan 8.300 nan 0.000 0.551 154 A N 0.507 123.384 122.820 0.095 0.000 2.548 154 A HA 0.394 4.714 4.320 0.001 0.000 0.247 154 A C 1.585 179.208 177.584 0.065 0.000 1.067 154 A CA 0.728 52.801 52.037 0.060 0.000 0.757 154 A CB -0.772 18.232 19.000 0.006 0.000 0.996 154 A HN 0.981 nan 8.150 nan 0.000 0.504 155 G N 1.455 110.296 108.800 0.069 0.000 2.153 155 G HA2 -0.227 3.733 3.960 0.001 0.000 0.252 155 G HA3 -0.227 3.733 3.960 0.001 0.000 0.252 155 G C -0.010 174.941 174.900 0.086 0.000 0.994 155 G CA 0.589 45.726 45.100 0.063 0.000 0.698 155 G HN 0.997 nan 8.290 nan 0.000 0.521 156 I N 1.471 122.120 120.570 0.132 0.000 2.537 156 I HA 0.278 4.448 4.170 0.001 0.000 0.276 156 I C -2.316 173.890 176.117 0.147 0.000 1.063 156 I CA -2.344 59.056 61.300 0.166 0.000 1.144 156 I CB 2.105 40.273 38.000 0.280 0.000 1.252 156 I HN -0.193 nan 8.210 nan 0.000 0.480 157 P HA 0.079 nan 4.420 nan 0.000 0.259 157 P C 0.880 178.213 177.300 0.055 0.000 1.211 157 P CA 0.097 63.232 63.100 0.058 0.000 0.810 157 P CB 0.379 32.103 31.700 0.040 0.000 0.815 158 L N 2.039 123.275 121.223 0.022 0.000 2.549 158 L HA -0.131 4.210 4.340 0.001 0.000 0.230 158 L C 1.614 178.505 176.870 0.035 0.000 1.162 158 L CA 1.040 55.883 54.840 0.005 0.000 0.834 158 L CB -0.732 41.231 42.059 -0.159 0.000 0.947 158 L HN 0.356 nan 8.230 nan 0.000 0.452 159 D N -0.908 119.509 120.400 0.029 0.000 2.348 159 D HA -0.130 4.511 4.640 0.001 0.000 0.211 159 D C 1.594 177.919 176.300 0.042 0.000 0.998 159 D CA 0.479 54.501 54.000 0.037 0.000 0.873 159 D CB 0.126 40.938 40.800 0.020 0.000 0.925 159 D HN 0.429 nan 8.370 nan 0.000 0.524 160 Q N -1.186 118.639 119.800 0.042 0.000 2.214 160 Q HA 0.224 4.565 4.340 0.001 0.000 0.229 160 Q C 0.184 176.208 176.000 0.040 0.000 0.835 160 Q CA -0.115 55.709 55.803 0.035 0.000 0.953 160 Q CB 1.200 29.955 28.738 0.029 0.000 1.131 160 Q HN 0.105 nan 8.270 nan 0.000 0.501 161 M N 0.309 119.946 119.600 0.061 0.000 2.528 161 M HA 0.321 4.802 4.480 0.001 0.000 0.321 161 M C -0.567 175.774 176.300 0.068 0.000 1.153 161 M CA -0.496 54.842 55.300 0.063 0.000 0.951 161 M CB 2.032 34.691 32.600 0.098 0.000 1.705 161 M HN -0.184 nan 8.290 nan 0.000 0.451 162 S N 2.520 118.233 115.700 0.022 0.000 2.420 162 S HA 0.633 5.103 4.470 0.001 0.000 0.313 162 S C -1.125 173.438 174.600 -0.062 0.000 1.079 162 S CA -0.520 57.661 58.200 -0.032 0.000 1.104 162 S CB 0.223 63.384 63.200 -0.066 0.000 0.969 162 S HN 0.462 nan 8.310 nan 0.000 0.471 163 V N 4.774 124.629 119.914 -0.098 0.000 2.409 163 V HA 0.535 4.655 4.120 0.001 0.000 0.291 163 V C 0.206 176.114 176.094 -0.310 0.000 1.020 163 V CA -0.710 61.510 62.300 -0.133 0.000 0.848 163 V CB 1.643 33.438 31.823 -0.047 0.000 0.990 163 V HN 0.879 nan 8.190 nan 0.000 0.430 164 S N 6.186 121.741 115.700 -0.241 0.000 2.489 164 S HA 0.767 5.238 4.470 0.001 0.000 0.291 164 S C -0.597 173.921 174.600 -0.137 0.000 1.151 164 S CA -0.572 57.457 58.200 -0.286 0.000 1.082 164 S CB 0.681 63.670 63.200 -0.352 0.000 1.019 164 S HN 0.658 nan 8.310 nan 0.000 0.492 165 M N 3.710 123.276 119.600 -0.057 0.000 2.197 165 M HA 0.268 4.748 4.480 0.001 0.000 0.301 165 M C -0.792 175.621 176.300 0.189 0.000 0.987 165 M CA -0.350 55.047 55.300 0.160 0.000 0.921 165 M CB 2.223 35.005 32.600 0.303 0.000 1.569 165 M HN 0.514 nan 8.290 nan 0.000 0.431 166 T N 4.342 119.068 114.554 0.288 0.000 2.997 166 T HA 0.547 4.898 4.350 0.001 0.000 0.311 166 T C -0.674 174.273 174.700 0.411 0.000 1.079 166 T CA -0.269 61.995 62.100 0.273 0.000 0.982 166 T CB -0.175 68.876 68.868 0.305 0.000 1.032 166 T HN 0.512 nan 8.240 nan 0.000 0.581 167 M N 3.385 123.120 119.600 0.225 0.000 2.322 167 M HA 0.462 4.942 4.480 0.001 0.000 0.286 167 M C -0.756 175.571 176.300 0.045 0.000 1.111 167 M CA -0.556 54.779 55.300 0.057 0.000 0.941 167 M CB 1.426 33.900 32.600 -0.209 0.000 1.671 167 M HN 0.192 nan 8.290 nan 0.000 0.470 168 N N 1.911 120.648 118.700 0.062 0.000 2.663 168 N HA 0.173 4.913 4.740 0.001 0.000 0.250 168 N C 1.086 176.578 175.510 -0.031 0.000 1.043 168 N CA 0.736 53.792 53.050 0.010 0.000 0.929 168 N CB 0.307 38.798 38.487 0.007 0.000 1.665 168 N HN 0.797 nan 8.380 nan 0.000 0.484 169 G N 1.679 110.454 108.800 -0.042 0.000 2.604 169 G HA2 -0.165 3.796 3.960 0.001 0.000 0.216 169 G HA3 -0.165 3.796 3.960 0.001 0.000 0.216 169 G C 1.002 175.835 174.900 -0.112 0.000 1.265 169 G CA 1.244 46.275 45.100 -0.116 0.000 0.804 169 G HN 0.369 nan 8.290 nan 0.000 0.579 170 A N -0.026 122.714 122.820 -0.133 0.000 2.543 170 A HA 0.538 4.859 4.320 0.001 0.000 0.258 170 A C 1.870 179.379 177.584 -0.125 0.000 1.391 170 A CA 0.451 52.410 52.037 -0.130 0.000 1.066 170 A CB -0.294 18.594 19.000 -0.186 0.000 0.972 170 A HN 0.344 nan 8.150 nan 0.000 0.560 171 V N 0.045 119.910 119.914 -0.081 0.000 2.219 171 V HA -0.325 3.796 4.120 0.001 0.000 0.248 171 V C 2.384 178.433 176.094 -0.074 0.000 1.053 171 V CA 2.687 64.943 62.300 -0.074 0.000 1.009 171 V CB -0.607 31.190 31.823 -0.043 0.000 0.636 171 V HN 0.743 nan 8.190 nan 0.000 0.445 172 L N 0.599 121.795 121.223 -0.045 0.000 1.987 172 L HA -0.206 4.134 4.340 0.001 0.000 0.230 172 L C 0.219 177.041 176.870 -0.081 0.000 1.089 172 L CA 2.872 57.675 54.840 -0.061 0.000 0.802 172 L CB -2.344 39.699 42.059 -0.026 0.000 0.905 172 L HN 0.371 nan 8.230 nan 0.000 0.441 173 P HA -0.141 nan 4.420 nan 0.000 0.221 173 P C 1.828 179.073 177.300 -0.091 0.000 1.150 173 P CA 1.407 64.462 63.100 -0.075 0.000 0.800 173 P CB -0.040 31.619 31.700 -0.068 0.000 0.787 174 I N -0.725 119.764 120.570 -0.134 0.000 2.233 174 I HA -0.134 4.037 4.170 0.001 0.000 0.243 174 I C 2.357 178.452 176.117 -0.037 0.000 1.093 174 I CA 0.896 62.106 61.300 -0.149 0.000 1.380 174 I CB -1.415 36.353 38.000 -0.387 0.000 1.067 174 I HN -0.046 nan 8.210 nan 0.000 0.413 175 L N 1.638 122.825 121.223 -0.061 0.000 2.017 175 L HA -0.123 4.218 4.340 0.001 0.000 0.208 175 L C 2.610 179.429 176.870 -0.085 0.000 1.073 175 L CA 2.237 57.038 54.840 -0.065 0.000 0.745 175 L CB -1.038 40.955 42.059 -0.111 0.000 0.894 175 L HN 0.187 nan 8.230 nan 0.000 0.432 176 A N -0.144 122.608 122.820 -0.114 0.000 1.869 176 A HA -0.256 4.065 4.320 0.001 0.000 0.218 176 A C 2.273 179.815 177.584 -0.070 0.000 1.203 176 A CA 2.460 54.423 52.037 -0.124 0.000 0.638 176 A CB -1.214 17.721 19.000 -0.108 0.000 0.831 176 A HN 0.528 nan 8.150 nan 0.000 0.450 177 L N -2.305 118.905 121.223 -0.022 0.000 2.127 177 L HA -0.209 4.132 4.340 0.001 0.000 0.211 177 L C 2.558 179.457 176.870 0.048 0.000 1.089 177 L CA 1.709 56.560 54.840 0.019 0.000 0.757 177 L CB -0.662 41.427 42.059 0.049 0.000 0.899 177 L HN 0.598 nan 8.230 nan 0.000 0.434 178 Y N 0.382 120.658 120.300 -0.041 0.000 2.114 178 Y HA -0.249 4.302 4.550 0.001 0.000 0.284 178 Y C 2.444 178.255 175.900 -0.148 0.000 1.143 178 Y CA 1.811 59.859 58.100 -0.087 0.000 1.135 178 Y CB -0.334 38.067 38.460 -0.097 0.000 0.980 178 Y HN -0.164 nan 8.280 nan 0.000 0.499 179 V N -0.629 119.184 119.914 -0.167 0.000 2.252 179 V HA -0.368 3.753 4.120 0.001 0.000 0.249 179 V C 2.386 178.377 176.094 -0.172 0.000 1.056 179 V CA 1.944 64.122 62.300 -0.203 0.000 1.022 179 V CB -1.160 30.570 31.823 -0.155 0.000 0.641 179 V HN 0.379 nan 8.190 nan 0.000 0.445 180 V N 0.056 119.902 119.914 -0.113 0.000 2.282 180 V HA -0.337 3.784 4.120 0.001 0.000 0.249 180 V C 2.560 178.603 176.094 -0.085 0.000 1.057 180 V CA 2.752 65.006 62.300 -0.076 0.000 1.032 180 V CB -1.381 30.417 31.823 -0.042 0.000 0.645 180 V HN 0.652 nan 8.190 nan 0.000 0.447 181 T N 0.420 114.912 114.554 -0.103 0.000 2.699 181 T HA -0.230 4.121 4.350 0.001 0.000 0.268 181 T C 2.061 176.663 174.700 -0.164 0.000 1.036 181 T CA 1.813 63.857 62.100 -0.095 0.000 1.147 181 T CB -0.527 68.293 68.868 -0.080 0.000 0.862 181 T HN 0.613 nan 8.240 nan 0.000 0.446 182 A N 1.425 124.068 122.820 -0.294 0.000 1.858 182 A HA -0.170 4.150 4.320 0.001 0.000 0.216 182 A C 2.245 179.746 177.584 -0.139 0.000 1.190 182 A CA 2.043 53.917 52.037 -0.271 0.000 0.617 182 A CB -0.813 17.977 19.000 -0.350 0.000 0.827 182 A HN 0.642 nan 8.150 nan 0.000 0.443 183 E N 0.095 120.228 120.200 -0.111 0.000 2.086 183 E HA -0.283 4.068 4.350 0.001 0.000 0.200 183 E C 1.813 178.387 176.600 -0.043 0.000 1.012 183 E CA 1.757 58.120 56.400 -0.062 0.000 0.812 183 E CB -0.252 29.418 29.700 -0.050 0.000 0.743 183 E HN 0.751 nan 8.360 nan 0.000 0.453 184 E N -0.204 119.972 120.200 -0.038 0.000 2.265 184 E HA -0.197 4.154 4.350 0.001 0.000 0.196 184 E C 2.049 178.637 176.600 -0.019 0.000 0.996 184 E CA 0.910 57.298 56.400 -0.020 0.000 0.832 184 E CB -0.006 29.691 29.700 -0.006 0.000 0.756 184 E HN 0.452 nan 8.360 nan 0.000 0.491 185 Q N -0.795 118.986 119.800 -0.031 0.000 2.408 185 Q HA 0.093 4.433 4.340 0.001 0.000 0.205 185 Q C 0.880 176.869 176.000 -0.018 0.000 0.919 185 Q CA 0.456 56.246 55.803 -0.020 0.000 0.932 185 Q CB 1.004 29.728 28.738 -0.023 0.000 1.058 185 Q HN 0.352 nan 8.270 nan 0.000 0.517 186 G N 0.557 109.343 108.800 -0.024 0.000 2.131 186 G HA2 -0.185 3.775 3.960 0.001 0.000 0.201 186 G HA3 -0.185 3.775 3.960 0.001 0.000 0.201 186 G C -0.222 174.665 174.900 -0.021 0.000 1.000 186 G CA -0.231 44.858 45.100 -0.018 0.000 0.680 186 G HN 0.144 nan 8.290 nan 0.000 0.514 187 V N 0.407 120.299 119.914 -0.036 0.000 2.383 187 V HA 0.777 4.898 4.120 0.001 0.000 0.275 187 V C 0.856 176.929 176.094 -0.035 0.000 1.036 187 V CA -0.128 62.152 62.300 -0.033 0.000 0.889 187 V CB 0.881 32.676 31.823 -0.046 0.000 0.985 187 V HN 0.802 nan 8.190 nan 0.000 0.459 188 K N 5.769 126.159 120.400 -0.016 0.000 2.202 188 K HA 0.406 4.727 4.320 0.001 0.000 0.264 188 K C -1.693 174.905 176.600 -0.004 0.000 1.010 188 K CA -1.266 55.015 56.287 -0.010 0.000 0.940 188 K CB -0.535 31.964 32.500 -0.002 0.000 0.983 188 K HN 0.559 nan 8.250 nan 0.000 0.475 189 P HA -0.294 nan 4.420 nan 0.000 0.217 189 P C 1.115 178.440 177.300 0.041 0.000 1.151 189 P CA 1.705 64.816 63.100 0.018 0.000 0.849 189 P CB 0.315 32.051 31.700 0.061 0.000 0.787 190 E N 0.346 120.567 120.200 0.035 0.000 2.338 190 E HA -0.207 4.144 4.350 0.001 0.000 0.197 190 E C 1.357 177.997 176.600 0.067 0.000 1.007 190 E CA 1.104 57.532 56.400 0.048 0.000 0.849 190 E CB -0.830 28.884 29.700 0.024 0.000 0.774 190 E HN 0.422 nan 8.360 nan 0.000 0.506 191 Q N 0.601 120.437 119.800 0.060 0.000 2.403 191 Q HA 0.233 4.574 4.340 0.001 0.000 0.203 191 Q C 0.344 176.411 176.000 0.113 0.000 0.932 191 Q CA -0.026 55.818 55.803 0.067 0.000 0.945 191 Q CB 0.275 29.037 28.738 0.040 0.000 1.045 191 Q HN 0.266 nan 8.270 nan 0.000 0.511 192 L N 1.354 122.679 121.223 0.170 0.000 2.313 192 L HA 0.391 4.732 4.340 0.001 0.000 0.282 192 L C -0.121 177.010 176.870 0.434 0.000 1.092 192 L CA -0.773 54.255 54.840 0.313 0.000 0.831 192 L CB 0.754 42.999 42.059 0.310 0.000 1.159 192 L HN -0.020 nan 8.230 nan 0.000 0.442 193 A N 3.038 126.049 122.820 0.318 0.000 2.276 193 A HA 0.898 5.218 4.320 0.001 0.000 0.316 193 A C 0.275 177.812 177.584 -0.079 0.000 1.229 193 A CA 0.195 52.314 52.037 0.137 0.000 0.851 193 A CB 1.190 20.219 19.000 0.049 0.000 1.165 193 A HN 0.862 nan 8.150 nan 0.000 0.513 194 G N 0.134 108.607 108.800 -0.544 0.000 2.323 194 G HA2 0.545 4.506 3.960 0.001 0.000 0.291 194 G HA3 0.545 4.506 3.960 0.001 0.000 0.291 194 G C -0.955 172.938 174.900 -1.678 0.000 1.278 194 G CA 0.073 44.492 45.100 -1.134 0.000 0.860 194 G HN 1.006 nan 8.290 nan 0.000 0.504 195 T N -0.350 113.294 114.554 -1.516 0.000 2.894 195 T HA 0.619 4.970 4.350 0.001 0.000 0.309 195 T C -1.436 172.995 174.700 -0.449 0.000 1.208 195 T CA -0.250 61.241 62.100 -1.016 0.000 1.016 195 T CB 2.054 70.586 68.868 -0.559 0.000 1.192 195 T HN 0.999 nan 8.240 nan 0.000 0.491 196 I N 1.725 122.259 120.570 -0.060 0.000 2.498 196 I HA 0.405 4.576 4.170 0.001 0.000 0.290 196 I C 1.262 177.386 176.117 0.012 0.000 1.032 196 I CA -0.468 60.920 61.300 0.147 0.000 1.073 196 I CB 1.987 40.199 38.000 0.353 0.000 1.251 196 I HN 0.767 nan 8.210 nan 0.000 0.426 197 Q N 4.881 124.680 119.800 -0.001 0.000 1.975 197 Q HA -0.232 4.109 4.340 0.001 0.000 0.205 197 Q C 0.658 176.631 176.000 -0.045 0.000 0.990 197 Q CA 1.950 57.735 55.803 -0.030 0.000 0.845 197 Q CB -0.154 28.597 28.738 0.021 0.000 0.913 197 Q HN 0.808 nan 8.270 nan 0.000 0.420 198 N N 1.499 120.183 118.700 -0.028 0.000 2.689 198 N HA -0.202 4.538 4.740 0.001 0.000 0.263 198 N C -1.641 173.778 175.510 -0.152 0.000 0.987 198 N CA 0.494 53.498 53.050 -0.075 0.000 0.782 198 N CB -0.664 37.787 38.487 -0.060 0.000 0.903 198 N HN 0.287 nan 8.380 nan 0.000 0.547 199 D N 1.392 121.738 120.400 -0.090 0.000 2.408 199 D HA 0.211 4.851 4.640 0.001 0.000 0.261 199 D C 0.715 177.049 176.300 0.057 0.000 1.190 199 D CA -0.595 53.376 54.000 -0.048 0.000 0.910 199 D CB 0.535 41.323 40.800 -0.020 0.000 1.097 199 D HN 0.284 nan 8.370 nan 0.000 0.522 200 I N 3.058 123.691 120.570 0.104 0.000 2.353 200 I HA -0.089 4.082 4.170 0.001 0.000 0.248 200 I C 2.115 178.284 176.117 0.087 0.000 1.119 200 I CA 0.807 62.132 61.300 0.041 0.000 1.417 200 I CB 0.193 38.232 38.000 0.065 0.000 1.078 200 I HN 0.452 nan 8.210 nan 0.000 0.421 201 L N 0.470 121.843 121.223 0.251 0.000 2.042 201 L HA -0.266 4.074 4.340 0.001 0.000 0.210 201 L C 2.445 179.403 176.870 0.146 0.000 1.076 201 L CA 2.004 56.975 54.840 0.219 0.000 0.749 201 L CB -0.909 41.199 42.059 0.081 0.000 0.893 201 L HN 0.304 nan 8.230 nan 0.000 0.432 202 K N -0.627 119.835 120.400 0.104 0.000 2.217 202 K HA -0.117 4.203 4.320 0.001 0.000 0.202 202 K C 1.740 178.354 176.600 0.025 0.000 1.051 202 K CA 0.915 57.239 56.287 0.060 0.000 0.952 202 K CB -0.258 32.273 32.500 0.052 0.000 0.736 202 K HN 0.158 nan 8.250 nan 0.000 0.453 203 E N 0.831 121.007 120.200 -0.039 0.000 2.038 203 E HA -0.158 4.192 4.350 0.001 0.000 0.195 203 E C 1.948 178.535 176.600 -0.022 0.000 1.000 203 E CA 1.417 57.750 56.400 -0.112 0.000 0.803 203 E CB -0.418 29.131 29.700 -0.251 0.000 0.750 203 E HN 0.408 nan 8.360 nan 0.000 0.448 204 F N 0.688 120.732 119.950 0.156 0.000 2.134 204 F HA -0.098 4.430 4.527 0.001 0.000 0.299 204 F C 2.654 178.497 175.800 0.072 0.000 1.097 204 F CA 0.925 58.968 58.000 0.072 0.000 1.264 204 F CB -0.595 38.289 39.000 -0.194 0.000 1.001 204 F HN -0.020 nan 8.300 nan 0.000 0.479 205 M N 0.219 119.922 119.600 0.171 0.000 2.086 205 M HA -0.130 4.351 4.480 0.001 0.000 0.261 205 M C 1.405 177.749 176.300 0.073 0.000 1.067 205 M CA 2.175 57.527 55.300 0.086 0.000 1.116 205 M CB 0.037 32.651 32.600 0.023 0.000 1.348 205 M HN 0.144 nan 8.290 nan 0.000 0.407 206 V N -5.918 114.027 119.914 0.053 0.000 3.363 206 V HA 0.242 4.363 4.120 0.001 0.000 0.270 206 V C 1.475 177.563 176.094 -0.011 0.000 1.667 206 V CA -0.331 61.980 62.300 0.019 0.000 1.034 206 V CB -0.255 31.561 31.823 -0.012 0.000 0.857 206 V HN 0.284 nan 8.190 nan 0.000 0.410 207 R N 1.136 121.625 120.500 -0.018 0.000 2.246 207 R HA 0.145 4.486 4.340 0.001 0.000 0.199 207 R C 0.455 176.674 176.300 -0.135 0.000 0.984 207 R CA 0.634 56.688 56.100 -0.076 0.000 1.015 207 R CB 0.020 30.279 30.300 -0.067 0.000 0.930 207 R HN 0.671 nan 8.270 nan 0.000 0.475 208 N N 0.596 119.214 118.700 -0.136 0.000 2.714 208 N HA -0.146 4.594 4.740 0.001 0.000 0.250 208 N C -0.033 175.240 175.510 -0.396 0.000 1.117 208 N CA 1.675 54.582 53.050 -0.239 0.000 0.719 208 N CB -1.615 36.807 38.487 -0.109 0.000 1.081 208 N HN 0.407 nan 8.380 nan 0.000 0.557 209 T N -3.290 110.997 114.554 -0.445 0.000 3.331 209 T HA 0.293 4.644 4.350 0.001 0.000 0.282 209 T C 0.465 174.926 174.700 -0.399 0.000 1.010 209 T CA -0.753 61.104 62.100 -0.404 0.000 0.928 209 T CB -0.414 68.269 68.868 -0.308 0.000 1.154 209 T HN 0.262 nan 8.240 nan 0.000 0.516 210 Y N -0.369 119.787 120.300 -0.240 0.000 2.281 210 Y HA 0.686 5.237 4.550 0.001 0.000 0.337 210 Y C 1.047 176.789 175.900 -0.263 0.000 1.304 210 Y CA -1.708 56.179 58.100 -0.355 0.000 1.465 210 Y CB 0.342 38.430 38.460 -0.621 0.000 1.350 210 Y HN -0.031 nan 8.280 nan 0.000 0.575 211 I N -1.538 118.969 120.570 -0.104 0.000 3.632 211 I HA 0.083 4.254 4.170 0.001 0.000 0.246 211 I C -0.347 175.667 176.117 -0.171 0.000 1.125 211 I CA -0.404 60.670 61.300 -0.376 0.000 1.519 211 I CB 0.028 37.434 38.000 -0.990 0.000 1.555 211 I HN 0.400 nan 8.210 nan 0.000 0.452 212 Y N 2.406 122.819 120.300 0.188 0.000 2.316 212 Y HA 0.364 4.915 4.550 0.001 0.000 0.324 212 Y C -2.219 173.798 175.900 0.195 0.000 1.267 212 Y CA -3.537 54.668 58.100 0.176 0.000 1.311 212 Y CB -0.880 37.624 38.460 0.074 0.000 1.267 212 Y HN -0.062 nan 8.280 nan 0.000 0.516 213 P HA 0.124 nan 4.420 nan 0.000 0.273 213 P C -2.148 175.072 177.300 -0.134 0.000 1.250 213 P CA -1.295 61.830 63.100 0.042 0.000 0.793 213 P CB 0.307 32.060 31.700 0.089 0.000 1.011 214 P HA -0.306 nan 4.420 nan 0.000 0.207 214 P C 1.711 178.855 177.300 -0.260 0.000 1.115 214 P CA 1.738 64.464 63.100 -0.624 0.000 0.956 214 P CB -0.383 30.834 31.700 -0.804 0.000 0.774 215 Q N -0.671 118.996 119.800 -0.221 0.000 2.028 215 Q HA -0.209 4.132 4.340 0.001 0.000 0.213 215 Q C -0.615 175.255 176.000 -0.217 0.000 1.017 215 Q CA 3.611 59.307 55.803 -0.177 0.000 0.875 215 Q CB -2.210 26.441 28.738 -0.146 0.000 0.962 215 Q HN 0.206 nan 8.270 nan 0.000 0.413 216 P HA -0.056 nan 4.420 nan 0.000 0.216 216 P C 1.524 178.504 177.300 -0.533 0.000 1.150 216 P CA 1.514 64.240 63.100 -0.623 0.000 0.837 216 P CB -0.288 30.786 31.700 -1.044 0.000 0.786 217 S N -0.766 114.789 115.700 -0.241 0.000 2.370 217 S HA -0.174 4.297 4.470 0.001 0.000 0.226 217 S C 1.914 176.475 174.600 -0.064 0.000 1.033 217 S CA 1.579 59.751 58.200 -0.046 0.000 1.011 217 S CB -0.843 62.459 63.200 0.170 0.000 0.852 217 S HN 0.069 nan 8.310 nan 0.000 0.457 218 M N 1.696 121.253 119.600 -0.071 0.000 2.117 218 M HA -0.027 4.453 4.480 0.001 0.000 0.262 218 M C 1.963 178.190 176.300 -0.122 0.000 1.065 218 M CA 1.437 56.705 55.300 -0.055 0.000 1.114 218 M CB -0.430 32.139 32.600 -0.051 0.000 1.361 218 M HN 0.171 nan 8.290 nan 0.000 0.408 219 R N -0.141 120.259 120.500 -0.167 0.000 2.081 219 R HA -0.139 4.202 4.340 0.001 0.000 0.235 219 R C 2.091 178.283 176.300 -0.180 0.000 1.131 219 R CA 1.923 57.918 56.100 -0.175 0.000 0.960 219 R CB -0.531 29.650 30.300 -0.199 0.000 0.856 219 R HN 0.459 nan 8.270 nan 0.000 0.436 220 I N 1.043 121.496 120.570 -0.194 0.000 2.127 220 I HA -0.319 3.851 4.170 0.001 0.000 0.241 220 I C 2.104 178.104 176.117 -0.195 0.000 1.075 220 I CA 0.959 62.170 61.300 -0.147 0.000 1.334 220 I CB -0.323 37.619 38.000 -0.096 0.000 1.040 220 I HN 0.197 nan 8.210 nan 0.000 0.405 221 I N 1.057 121.476 120.570 -0.252 0.000 2.091 221 I HA -0.329 3.841 4.170 0.001 0.000 0.239 221 I C 2.938 178.620 176.117 -0.725 0.000 1.061 221 I CA 2.248 63.268 61.300 -0.467 0.000 1.317 221 I CB -1.904 35.828 38.000 -0.447 0.000 1.031 221 I HN 0.354 nan 8.210 nan 0.000 0.401 222 S N 0.755 116.136 115.700 -0.532 0.000 2.370 222 S HA -0.206 4.265 4.470 0.001 0.000 0.226 222 S C 1.767 176.245 174.600 -0.204 0.000 1.033 222 S CA 1.359 59.326 58.200 -0.387 0.000 1.011 222 S CB -0.717 62.377 63.200 -0.176 0.000 0.852 222 S HN 0.564 nan 8.310 nan 0.000 0.457 223 E N 0.890 121.000 120.200 -0.150 0.000 2.150 223 E HA -0.016 4.335 4.350 0.001 0.000 0.193 223 E C 2.025 178.612 176.600 -0.021 0.000 0.985 223 E CA 1.166 57.531 56.400 -0.058 0.000 0.814 223 E CB -0.363 29.309 29.700 -0.046 0.000 0.752 223 E HN 0.609 nan 8.360 nan 0.000 0.466 224 I N 0.632 121.153 120.570 -0.081 0.000 2.202 224 I HA -0.260 3.910 4.170 0.001 0.000 0.242 224 I C 1.995 178.214 176.117 0.170 0.000 1.091 224 I CA 0.822 62.124 61.300 0.003 0.000 1.368 224 I CB -0.206 37.760 38.000 -0.056 0.000 1.058 224 I HN 0.010 nan 8.210 nan 0.000 0.410 225 F N 1.227 121.178 119.950 0.001 0.000 2.025 225 F HA -0.306 4.222 4.527 0.001 0.000 0.297 225 F C 2.717 178.519 175.800 0.004 0.000 1.132 225 F CA 1.204 59.196 58.000 -0.014 0.000 1.191 225 F CB -1.707 37.186 39.000 -0.179 0.000 0.963 225 F HN 0.069 nan 8.300 nan 0.000 0.481 226 A N -0.668 122.252 122.820 0.167 0.000 1.884 226 A HA -0.324 3.997 4.320 0.001 0.000 0.219 226 A C 2.215 179.875 177.584 0.126 0.000 1.197 226 A CA 2.155 54.249 52.037 0.095 0.000 0.637 226 A CB -1.761 17.271 19.000 0.054 0.000 0.827 226 A HN 0.489 nan 8.150 nan 0.000 0.450 227 Y N 1.509 121.829 120.300 0.033 0.000 2.114 227 Y HA -0.232 4.319 4.550 0.001 0.000 0.284 227 Y C 3.040 178.962 175.900 0.037 0.000 1.143 227 Y CA 2.827 60.939 58.100 0.020 0.000 1.135 227 Y CB -0.816 37.640 38.460 -0.008 0.000 0.980 227 Y HN 0.504 nan 8.280 nan 0.000 0.499 228 T N -2.844 111.895 114.554 0.309 0.000 2.652 228 T HA -0.270 4.080 4.350 0.001 0.000 0.267 228 T C 2.243 177.031 174.700 0.148 0.000 1.039 228 T CA 1.859 64.107 62.100 0.247 0.000 1.153 228 T CB -1.283 67.764 68.868 0.299 0.000 0.863 228 T HN 0.348 nan 8.240 nan 0.000 0.428 229 S N 1.356 117.141 115.700 0.142 0.000 2.370 229 S HA -0.047 4.423 4.470 0.001 0.000 0.226 229 S C 2.405 177.028 174.600 0.039 0.000 1.033 229 S CA 1.535 59.799 58.200 0.107 0.000 1.011 229 S CB -0.995 62.279 63.200 0.124 0.000 0.852 229 S HN 0.792 nan 8.310 nan 0.000 0.457 230 A N 1.432 124.240 122.820 -0.020 0.000 1.898 230 A HA 0.068 4.389 4.320 0.001 0.000 0.214 230 A C 1.827 179.328 177.584 -0.138 0.000 1.183 230 A CA 1.314 53.303 52.037 -0.079 0.000 0.622 230 A CB -0.287 18.635 19.000 -0.131 0.000 0.824 230 A HN 0.663 nan 8.150 nan 0.000 0.444 231 N N -1.653 116.904 118.700 -0.238 0.000 2.171 231 N HA 0.252 4.992 4.740 0.001 0.000 0.212 231 N C -0.520 174.938 175.510 -0.086 0.000 1.184 231 N CA 0.244 53.153 53.050 -0.235 0.000 0.888 231 N CB 0.852 38.987 38.487 -0.586 0.000 1.038 231 N HN 0.405 nan 8.380 nan 0.000 0.517 232 M N 1.006 120.613 119.600 0.013 0.000 1.962 232 M HA 0.260 4.740 4.480 0.001 0.000 0.227 232 M C -2.243 174.156 176.300 0.165 0.000 0.890 232 M CA -1.274 54.092 55.300 0.110 0.000 0.843 232 M CB 2.622 35.300 32.600 0.131 0.000 1.894 232 M HN -0.247 nan 8.290 nan 0.000 0.359 233 P HA -0.030 nan 4.420 nan 0.000 0.229 233 P C 0.457 177.832 177.300 0.125 0.000 1.160 233 P CA 1.013 64.179 63.100 0.110 0.000 0.777 233 P CB 0.186 31.928 31.700 0.070 0.000 0.814 234 K N -2.083 118.410 120.400 0.155 0.000 2.374 234 K HA 0.060 4.381 4.320 0.001 0.000 0.196 234 K C 0.239 176.950 176.600 0.185 0.000 1.023 234 K CA -0.199 56.172 56.287 0.139 0.000 1.103 234 K CB 0.228 32.807 32.500 0.132 0.000 0.848 234 K HN 0.209 nan 8.250 nan 0.000 0.528 235 W N 2.721 124.046 121.300 0.042 0.000 2.361 235 W HA 0.229 4.889 4.660 0.001 0.000 0.309 235 W C -0.859 175.676 176.519 0.027 0.000 1.122 235 W CA -0.573 56.794 57.345 0.036 0.000 1.208 235 W CB 0.745 30.242 29.460 0.062 0.000 1.246 235 W HN -0.050 nan 8.180 nan 0.000 0.490 236 N N 3.525 122.008 118.700 -0.361 0.000 2.401 236 N HA -0.069 4.671 4.740 0.001 0.000 0.255 236 N C 1.302 176.764 175.510 -0.081 0.000 1.110 236 N CA 0.346 53.271 53.050 -0.208 0.000 0.949 236 N CB 1.567 39.878 38.487 -0.293 0.000 1.110 236 N HN 0.435 nan 8.380 nan 0.000 0.490 237 S N 2.608 118.385 115.700 0.130 0.000 2.402 237 S HA -0.031 4.439 4.470 0.001 0.000 0.229 237 S C 0.884 175.609 174.600 0.208 0.000 1.021 237 S CA 0.572 58.948 58.200 0.293 0.000 0.974 237 S CB 0.282 63.697 63.200 0.359 0.000 0.800 237 S HN 0.659 nan 8.310 nan 0.000 0.484 238 I N -0.386 120.216 120.570 0.054 0.000 2.913 238 I HA 0.467 4.638 4.170 0.001 0.000 0.302 238 I C -1.485 174.514 176.117 -0.197 0.000 1.246 238 I CA -0.688 60.572 61.300 -0.066 0.000 1.010 238 I CB 2.125 40.090 38.000 -0.059 0.000 1.259 238 I HN 0.054 nan 8.210 nan 0.000 0.434 239 S N 7.236 122.806 115.700 -0.217 0.000 2.426 239 S HA 0.518 4.988 4.470 0.001 0.000 0.236 239 S C -0.368 174.080 174.600 -0.254 0.000 1.368 239 S CA -0.634 57.424 58.200 -0.236 0.000 1.154 239 S CB -0.207 62.887 63.200 -0.178 0.000 1.037 239 S HN 0.413 nan 8.310 nan 0.000 0.481 240 I N 4.464 124.738 120.570 -0.492 0.000 2.573 240 I HA 0.072 4.242 4.170 0.001 0.000 0.295 240 I C 0.513 176.442 176.117 -0.315 0.000 1.141 240 I CA 0.075 61.097 61.300 -0.463 0.000 1.364 240 I CB -0.107 37.375 38.000 -0.863 0.000 1.447 240 I HN 0.433 nan 8.210 nan 0.000 0.571 241 S N 3.992 119.618 115.700 -0.124 0.000 2.585 241 S HA 0.465 4.935 4.470 0.001 0.000 0.277 241 S C 1.075 175.605 174.600 -0.117 0.000 1.241 241 S CA -0.561 57.558 58.200 -0.134 0.000 1.041 241 S CB 1.857 65.032 63.200 -0.042 0.000 0.987 241 S HN 0.782 nan 8.310 nan 0.000 0.512 242 G N -0.310 108.385 108.800 -0.175 0.000 2.833 242 G HA2 0.015 3.976 3.960 0.001 0.000 0.214 242 G HA3 0.015 3.976 3.960 0.001 0.000 0.214 242 G C 0.841 175.710 174.900 -0.053 0.000 1.075 242 G CA -0.190 44.926 45.100 0.028 0.000 0.799 242 G HN 0.655 nan 8.290 nan 0.000 0.541 243 Y N 2.558 122.581 120.300 -0.460 0.000 2.040 243 Y HA -0.228 4.323 4.550 0.001 0.000 0.275 243 Y C 2.858 178.611 175.900 -0.245 0.000 1.171 243 Y CA 2.097 59.893 58.100 -0.507 0.000 1.123 243 Y CB -0.508 37.257 38.460 -1.159 0.000 0.963 243 Y HN 0.217 nan 8.280 nan 0.000 0.493 244 A N 0.163 122.831 122.820 -0.252 0.000 1.908 244 A HA -0.267 4.053 4.320 0.001 0.000 0.218 244 A C 2.370 179.844 177.584 -0.183 0.000 1.181 244 A CA 2.292 54.202 52.037 -0.213 0.000 0.627 244 A CB -0.879 18.071 19.000 -0.082 0.000 0.818 244 A HN 0.631 nan 8.150 nan 0.000 0.445 245 M N -1.338 118.196 119.600 -0.110 0.000 2.080 245 M HA -0.238 4.243 4.480 0.001 0.000 0.260 245 M C 2.576 178.804 176.300 -0.121 0.000 1.068 245 M CA 2.233 57.498 55.300 -0.057 0.000 1.109 245 M CB -0.432 32.188 32.600 0.033 0.000 1.342 245 M HN 0.684 nan 8.290 nan 0.000 0.405 246 Q N 0.351 120.060 119.800 -0.151 0.000 2.049 246 Q HA -0.162 4.179 4.340 0.001 0.000 0.198 246 Q C 1.859 177.695 176.000 -0.273 0.000 0.971 246 Q CA 1.101 56.799 55.803 -0.175 0.000 0.833 246 Q CB 0.150 28.826 28.738 -0.104 0.000 0.896 246 Q HN 0.352 nan 8.270 nan 0.000 0.434 247 E N 0.429 120.412 120.200 -0.363 0.000 2.118 247 E HA -0.175 4.176 4.350 0.001 0.000 0.195 247 E C 1.786 178.215 176.600 -0.286 0.000 0.992 247 E CA 1.194 57.401 56.400 -0.321 0.000 0.804 247 E CB -0.241 29.191 29.700 -0.446 0.000 0.741 247 E HN 0.495 nan 8.360 nan 0.000 0.458 248 A N -0.247 122.437 122.820 -0.227 0.000 2.119 248 A HA 0.136 4.457 4.320 0.001 0.000 0.217 248 A C 1.789 179.227 177.584 -0.244 0.000 1.153 248 A CA 1.644 53.572 52.037 -0.181 0.000 0.692 248 A CB -0.011 18.926 19.000 -0.105 0.000 0.799 248 A HN 0.347 nan 8.150 nan 0.000 0.458 249 G N -2.984 105.634 108.800 -0.304 0.000 2.370 249 G HA2 0.282 4.243 3.960 0.001 0.000 0.174 249 G HA3 0.282 4.243 3.960 0.001 0.000 0.174 249 G C 0.317 175.079 174.900 -0.229 0.000 1.002 249 G CA 0.001 44.905 45.100 -0.326 0.000 0.730 249 G HN 1.300 nan 8.290 nan 0.000 0.497 250 A N 1.313 124.028 122.820 -0.175 0.000 2.498 250 A HA 0.604 4.924 4.320 0.001 0.000 0.239 250 A C 1.137 178.632 177.584 -0.149 0.000 1.068 250 A CA 1.193 53.144 52.037 -0.143 0.000 0.766 250 A CB -0.002 18.933 19.000 -0.108 0.000 1.003 250 A HN 1.628 nan 8.150 nan 0.000 0.497 251 T N -0.187 114.279 114.554 -0.146 0.000 2.868 251 T HA 0.471 4.821 4.350 0.001 0.000 0.292 251 T C 1.466 176.089 174.700 -0.127 0.000 1.028 251 T CA -0.080 61.944 62.100 -0.126 0.000 1.059 251 T CB 1.066 69.866 68.868 -0.113 0.000 0.991 251 T HN 1.343 nan 8.240 nan 0.000 0.531 252 A N 2.073 124.822 122.820 -0.118 0.000 1.915 252 A HA -0.245 4.075 4.320 0.001 0.000 0.220 252 A C 2.137 179.633 177.584 -0.147 0.000 1.198 252 A CA 2.256 54.210 52.037 -0.139 0.000 0.647 252 A CB -1.179 17.730 19.000 -0.152 0.000 0.825 252 A HN 1.040 nan 8.150 nan 0.000 0.456 253 D N -0.354 119.979 120.400 -0.113 0.000 2.144 253 D HA -0.153 4.487 4.640 0.001 0.000 0.199 253 D C 1.798 178.066 176.300 -0.053 0.000 0.984 253 D CA 1.307 55.276 54.000 -0.051 0.000 0.834 253 D CB -0.458 40.355 40.800 0.022 0.000 0.955 253 D HN 0.382 nan 8.370 nan 0.000 0.465 254 I N 1.381 121.821 120.570 -0.217 0.000 2.333 254 I HA -0.127 4.043 4.170 0.001 0.000 0.246 254 I C 2.581 178.459 176.117 -0.398 0.000 1.106 254 I CA 0.682 61.659 61.300 -0.537 0.000 1.411 254 I CB -0.870 36.772 38.000 -0.597 0.000 1.082 254 I HN 0.159 nan 8.210 nan 0.000 0.420 255 E N 0.875 120.983 120.200 -0.152 0.000 2.031 255 E HA -0.254 4.096 4.350 0.001 0.000 0.193 255 E C 2.394 179.100 176.600 0.176 0.000 0.994 255 E CA 1.392 57.815 56.400 0.038 0.000 0.800 255 E CB -0.056 29.680 29.700 0.059 0.000 0.752 255 E HN 0.279 nan 8.360 nan 0.000 0.447 256 M N 0.373 119.994 119.600 0.035 0.000 2.082 256 M HA -0.235 4.246 4.480 0.001 0.000 0.258 256 M C 2.447 178.867 176.300 0.199 0.000 1.071 256 M CA 1.985 57.320 55.300 0.058 0.000 1.103 256 M CB -0.306 32.217 32.600 -0.128 0.000 1.307 256 M HN 0.318 nan 8.290 nan 0.000 0.409 257 A N -0.340 122.546 122.820 0.110 0.000 1.865 257 A HA -0.221 4.099 4.320 0.001 0.000 0.217 257 A C 1.807 179.559 177.584 0.281 0.000 1.191 257 A CA 1.733 53.865 52.037 0.159 0.000 0.623 257 A CB -1.249 17.804 19.000 0.088 0.000 0.826 257 A HN 0.553 nan 8.150 nan 0.000 0.444 258 Y N 0.669 121.039 120.300 0.117 0.000 2.181 258 Y HA -0.114 4.437 4.550 0.001 0.000 0.288 258 Y C 2.973 178.962 175.900 0.149 0.000 1.146 258 Y CA 1.223 59.382 58.100 0.098 0.000 1.164 258 Y CB -1.594 36.893 38.460 0.045 0.000 0.982 258 Y HN 0.301 nan 8.280 nan 0.000 0.515 259 T N 0.546 115.321 114.554 0.368 0.000 2.821 259 T HA -0.098 4.253 4.350 0.001 0.000 0.267 259 T C 2.216 177.148 174.700 0.386 0.000 1.046 259 T CA 1.071 63.362 62.100 0.319 0.000 1.139 259 T CB -0.497 68.561 68.868 0.317 0.000 0.871 259 T HN 0.193 nan 8.240 nan 0.000 0.454 260 L N 0.648 122.139 121.223 0.446 0.000 2.072 260 L HA 0.031 4.372 4.340 0.001 0.000 0.205 260 L C 2.996 180.150 176.870 0.473 0.000 1.079 260 L CA 1.109 56.256 54.840 0.511 0.000 0.752 260 L CB -0.563 41.787 42.059 0.486 0.000 0.906 260 L HN 0.223 nan 8.230 nan 0.000 0.436 261 A N -0.451 122.571 122.820 0.335 0.000 2.014 261 A HA -0.166 4.154 4.320 0.001 0.000 0.218 261 A C 1.837 179.527 177.584 0.176 0.000 1.163 261 A CA 1.403 53.584 52.037 0.240 0.000 0.652 261 A CB -0.350 18.750 19.000 0.167 0.000 0.808 261 A HN 0.330 nan 8.150 nan 0.000 0.449 262 D N 0.249 120.739 120.400 0.150 0.000 2.097 262 D HA -0.102 4.539 4.640 0.001 0.000 0.195 262 D C 2.104 178.443 176.300 0.065 0.000 0.989 262 D CA 1.501 55.496 54.000 -0.008 0.000 0.827 262 D CB -0.854 39.958 40.800 0.020 0.000 0.966 262 D HN 0.405 nan 8.370 nan 0.000 0.456 263 G N 1.034 110.028 108.800 0.324 0.000 2.513 263 G HA2 -0.277 3.684 3.960 0.001 0.000 0.219 263 G HA3 -0.277 3.684 3.960 0.001 0.000 0.219 263 G C 1.880 177.125 174.900 0.575 0.000 1.160 263 G CA 1.111 46.513 45.100 0.504 0.000 0.767 263 G HN 0.263 nan 8.290 nan 0.000 0.571 264 V N 1.216 121.425 119.914 0.492 0.000 2.392 264 V HA -0.163 3.958 4.120 0.001 0.000 0.249 264 V C 2.547 178.769 176.094 0.213 0.000 1.059 264 V CA 2.269 64.768 62.300 0.332 0.000 1.051 264 V CB -0.430 31.576 31.823 0.305 0.000 0.658 264 V HN 0.279 nan 8.190 nan 0.000 0.455 265 D N -1.115 119.335 120.400 0.083 0.000 2.144 265 D HA -0.134 4.506 4.640 0.001 0.000 0.200 265 D C 2.028 178.340 176.300 0.021 0.000 0.978 265 D CA 1.162 55.150 54.000 -0.021 0.000 0.833 265 D CB -0.285 40.417 40.800 -0.164 0.000 0.961 265 D HN 0.511 nan 8.370 nan 0.000 0.470 266 Y N 0.723 121.162 120.300 0.231 0.000 2.293 266 Y HA -0.025 4.526 4.550 0.001 0.000 0.291 266 Y C 2.294 178.444 175.900 0.418 0.000 1.137 266 Y CA 0.174 58.481 58.100 0.345 0.000 1.202 266 Y CB -0.579 38.123 38.460 0.404 0.000 0.990 266 Y HN 0.015 nan 8.280 nan 0.000 0.537 267 I N -0.452 120.351 120.570 0.389 0.000 2.179 267 I HA -0.318 3.853 4.170 0.001 0.000 0.242 267 I C 2.481 178.740 176.117 0.237 0.000 1.088 267 I CA 1.306 62.745 61.300 0.232 0.000 1.357 267 I CB -0.369 37.372 38.000 -0.432 0.000 1.051 267 I HN 0.101 nan 8.210 nan 0.000 0.409 268 R N 0.742 121.352 120.500 0.182 0.000 2.080 268 R HA -0.196 4.145 4.340 0.001 0.000 0.236 268 R C 2.483 178.883 176.300 0.167 0.000 1.137 268 R CA 1.723 57.946 56.100 0.206 0.000 0.943 268 R CB -0.632 29.785 30.300 0.196 0.000 0.846 268 R HN 0.390 nan 8.270 nan 0.000 0.431 269 A N 0.747 123.672 122.820 0.176 0.000 1.859 269 A HA -0.167 4.154 4.320 0.001 0.000 0.217 269 A C 2.436 180.087 177.584 0.112 0.000 1.198 269 A CA 2.072 54.189 52.037 0.133 0.000 0.629 269 A CB -1.520 17.587 19.000 0.179 0.000 0.830 269 A HN 0.517 nan 8.150 nan 0.000 0.446 270 G N -0.871 108.029 108.800 0.167 0.000 2.469 270 G HA2 -0.272 3.689 3.960 0.001 0.000 0.219 270 G HA3 -0.272 3.689 3.960 0.001 0.000 0.219 270 G C 1.469 176.212 174.900 -0.263 0.000 1.150 270 G CA 1.129 46.057 45.100 -0.287 0.000 0.763 270 G HN 0.673 nan 8.290 nan 0.000 0.561 271 E N 0.399 120.614 120.200 0.025 0.000 2.077 271 E HA -0.143 4.207 4.350 0.001 0.000 0.193 271 E C 2.916 179.555 176.600 0.065 0.000 0.989 271 E CA 1.194 57.660 56.400 0.111 0.000 0.800 271 E CB -0.137 29.686 29.700 0.206 0.000 0.746 271 E HN 0.567 nan 8.360 nan 0.000 0.452 272 S N 0.721 116.454 115.700 0.056 0.000 2.419 272 S HA -0.132 4.339 4.470 0.001 0.000 0.235 272 S C 2.004 176.608 174.600 0.008 0.000 1.019 272 S CA 1.327 59.548 58.200 0.035 0.000 0.982 272 S CB -0.437 62.783 63.200 0.033 0.000 0.789 272 S HN 0.198 nan 8.310 nan 0.000 0.490 273 V N -2.188 117.717 119.914 -0.014 0.000 3.577 273 V HA 0.689 4.809 4.120 0.001 0.000 0.294 273 V C 1.436 177.524 176.094 -0.010 0.000 1.317 273 V CA 0.150 62.438 62.300 -0.021 0.000 1.169 273 V CB -1.035 30.767 31.823 -0.036 0.000 1.011 273 V HN 0.835 nan 8.190 nan 0.000 0.426 274 G N 0.203 109.007 108.800 0.007 0.000 2.176 274 G HA2 -0.209 3.751 3.960 0.001 0.000 0.232 274 G HA3 -0.209 3.751 3.960 0.001 0.000 0.232 274 G C -0.095 174.827 174.900 0.037 0.000 0.986 274 G CA 0.128 45.242 45.100 0.024 0.000 0.643 274 G HN 0.549 nan 8.290 nan 0.000 0.522 275 L N 1.087 122.319 121.223 0.016 0.000 2.395 275 L HA 0.368 4.709 4.340 0.001 0.000 0.269 275 L C 0.954 177.941 176.870 0.196 0.000 1.133 275 L CA -0.774 54.112 54.840 0.078 0.000 0.812 275 L CB 0.816 42.843 42.059 -0.053 0.000 1.125 275 L HN 0.311 nan 8.230 nan 0.000 0.452 276 N N 0.982 119.807 118.700 0.209 0.000 2.524 276 N HA 0.029 4.770 4.740 0.001 0.000 0.283 276 N C 0.891 176.556 175.510 0.258 0.000 1.142 276 N CA -0.269 52.897 53.050 0.194 0.000 0.984 276 N CB 1.880 40.442 38.487 0.124 0.000 1.155 276 N HN 0.482 nan 8.380 nan 0.000 0.467 277 V N 2.995 123.007 119.914 0.163 0.000 2.277 277 V HA -0.290 3.831 4.120 0.001 0.000 0.253 277 V C 1.341 177.304 176.094 -0.219 0.000 1.067 277 V CA 2.283 64.521 62.300 -0.104 0.000 1.047 277 V CB -0.484 31.293 31.823 -0.075 0.000 0.649 277 V HN 0.722 nan 8.190 nan 0.000 0.447 278 D N -0.875 119.491 120.400 -0.057 0.000 2.351 278 D HA -0.171 4.470 4.640 0.001 0.000 0.216 278 D C 2.108 178.410 176.300 0.004 0.000 0.968 278 D CA 1.161 55.142 54.000 -0.032 0.000 0.899 278 D CB -0.141 40.669 40.800 0.016 0.000 0.907 278 D HN 0.681 nan 8.370 nan 0.000 0.514 279 Q N -0.873 118.978 119.800 0.085 0.000 2.424 279 Q HA 0.028 4.369 4.340 0.001 0.000 0.204 279 Q C 1.098 177.223 176.000 0.209 0.000 0.933 279 Q CA 0.402 56.293 55.803 0.146 0.000 0.929 279 Q CB 0.241 29.092 28.738 0.188 0.000 1.037 279 Q HN 0.479 nan 8.270 nan 0.000 0.511 280 F N -4.409 115.504 119.950 -0.061 0.000 2.964 280 F HA 0.558 5.085 4.527 0.001 0.000 0.371 280 F C 1.543 177.252 175.800 -0.152 0.000 1.026 280 F CA 0.008 57.928 58.000 -0.134 0.000 1.106 280 F CB -0.322 38.552 39.000 -0.210 0.000 1.135 280 F HN -0.142 nan 8.300 nan 0.000 0.557 281 A N 1.894 124.251 122.820 -0.771 0.000 1.877 281 A HA 0.042 4.363 4.320 0.001 0.000 0.216 281 A C -0.269 177.224 177.584 -0.151 0.000 1.186 281 A CA 1.816 53.569 52.037 -0.474 0.000 0.620 281 A CB -2.093 16.652 19.000 -0.426 0.000 0.822 281 A HN 0.329 nan 8.150 nan 0.000 0.443 282 P HA -0.127 nan 4.420 nan 0.000 0.222 282 P C 0.865 178.167 177.300 0.003 0.000 1.142 282 P CA 1.024 64.120 63.100 -0.008 0.000 0.788 282 P CB 0.041 31.747 31.700 0.010 0.000 0.767 283 R N -1.671 118.821 120.500 -0.015 0.000 2.543 283 R HA 0.293 4.633 4.340 0.001 0.000 0.323 283 R C 0.320 176.593 176.300 -0.046 0.000 1.002 283 R CA -0.370 55.728 56.100 -0.003 0.000 1.106 283 R CB -0.234 30.094 30.300 0.047 0.000 1.280 283 R HN 0.290 nan 8.270 nan 0.000 0.549 284 L N 1.578 122.759 121.223 -0.070 0.000 2.349 284 L HA 0.252 4.593 4.340 0.001 0.000 0.275 284 L C 0.758 177.539 176.870 -0.147 0.000 1.115 284 L CA -0.138 54.623 54.840 -0.133 0.000 0.820 284 L CB 1.231 43.236 42.059 -0.090 0.000 1.135 284 L HN 0.035 nan 8.230 nan 0.000 0.445 285 S N 2.169 117.703 115.700 -0.277 0.000 2.634 285 S HA 0.766 5.237 4.470 0.001 0.000 0.296 285 S C -0.932 173.396 174.600 -0.454 0.000 1.104 285 S CA -0.666 57.398 58.200 -0.227 0.000 0.920 285 S CB 1.888 64.989 63.200 -0.164 0.000 1.111 285 S HN 0.290 nan 8.310 nan 0.000 0.493 286 F N 0.584 120.358 119.950 -0.294 0.000 2.639 286 F HA 0.833 5.360 4.527 0.001 0.000 0.339 286 F C -0.725 174.889 175.800 -0.311 0.000 1.071 286 F CA -0.966 56.782 58.000 -0.421 0.000 0.994 286 F CB 2.008 40.630 39.000 -0.630 0.000 1.341 286 F HN 0.655 nan 8.300 nan 0.000 0.498 287 F N 1.587 121.235 119.950 -0.503 0.000 2.689 287 F HA 0.416 4.944 4.527 0.001 0.000 0.332 287 F C -2.229 173.307 175.800 -0.440 0.000 1.209 287 F CA -1.746 56.045 58.000 -0.349 0.000 1.028 287 F CB 0.615 39.526 39.000 -0.148 0.000 1.291 287 F HN 0.446 nan 8.300 nan 0.000 0.500 288 W N 4.139 125.615 121.300 0.294 0.000 2.639 288 W HA 0.728 5.388 4.660 0.001 0.000 0.347 288 W C 0.378 176.951 176.519 0.091 0.000 1.067 288 W CA -1.369 56.026 57.345 0.084 0.000 1.218 288 W CB 2.014 31.506 29.460 0.054 0.000 1.393 288 W HN 0.912 nan 8.180 nan 0.000 0.557 289 G N 2.203 111.229 108.800 0.378 0.000 2.389 289 G HA2 0.630 4.591 3.960 0.001 0.000 0.317 289 G HA3 0.630 4.591 3.960 0.001 0.000 0.317 289 G C -1.171 173.887 174.900 0.264 0.000 1.137 289 G CA -0.637 44.708 45.100 0.408 0.000 0.870 289 G HN 0.334 nan 8.290 nan 0.000 0.496 290 I N 2.605 123.312 120.570 0.228 0.000 2.437 290 I HA 0.320 4.490 4.170 0.001 0.000 0.279 290 I C 0.985 177.173 176.117 0.118 0.000 1.028 290 I CA -0.606 60.762 61.300 0.113 0.000 1.142 290 I CB 0.573 38.605 38.000 0.054 0.000 1.266 290 I HN 0.558 nan 8.210 nan 0.000 0.461 291 G N 5.291 114.149 108.800 0.097 0.000 2.509 291 G HA2 0.350 4.311 3.960 0.001 0.000 0.269 291 G HA3 0.350 4.311 3.960 0.001 0.000 0.269 291 G C 0.878 175.849 174.900 0.120 0.000 1.416 291 G CA -0.386 44.795 45.100 0.135 0.000 1.052 291 G HN 0.367 nan 8.290 nan 0.000 0.542 292 M N 0.098 119.789 119.600 0.151 0.000 2.319 292 M HA 0.028 4.509 4.480 0.001 0.000 0.265 292 M C 1.127 177.523 176.300 0.160 0.000 1.068 292 M CA 0.345 55.733 55.300 0.148 0.000 1.118 292 M CB -1.090 31.601 32.600 0.151 0.000 1.395 292 M HN 0.426 nan 8.290 nan 0.000 0.435 293 N N 1.465 120.264 118.700 0.164 0.000 2.549 293 N HA -0.045 4.695 4.740 0.001 0.000 0.267 293 N C 0.631 176.207 175.510 0.110 0.000 1.182 293 N CA -0.090 53.081 53.050 0.202 0.000 1.019 293 N CB -0.221 38.396 38.487 0.217 0.000 1.380 293 N HN 0.084 nan 8.380 nan 0.000 0.505 294 F N 3.291 123.198 119.950 -0.072 0.000 2.032 294 F HA -0.299 4.228 4.527 0.001 0.000 0.297 294 F C 1.174 176.733 175.800 -0.401 0.000 1.125 294 F CA 1.918 59.748 58.000 -0.283 0.000 1.202 294 F CB -0.313 38.397 39.000 -0.485 0.000 0.958 294 F HN 0.398 nan 8.300 nan 0.000 0.491 295 F N -0.667 119.264 119.950 -0.030 0.000 2.293 295 F HA -0.160 4.368 4.527 0.001 0.000 0.300 295 F C 2.273 177.813 175.800 -0.435 0.000 1.086 295 F CA 1.237 59.008 58.000 -0.382 0.000 1.375 295 F CB -0.812 37.881 39.000 -0.511 0.000 1.045 295 F HN 0.110 nan 8.300 nan 0.000 0.516 296 M N 0.114 119.650 119.600 -0.108 0.000 2.200 296 M HA -0.089 4.391 4.480 0.001 0.000 0.265 296 M C 1.999 178.158 176.300 -0.235 0.000 1.066 296 M CA 1.624 56.826 55.300 -0.163 0.000 1.127 296 M CB -0.290 32.254 32.600 -0.093 0.000 1.379 296 M HN -0.125 nan 8.290 nan 0.000 0.420 297 E N -0.480 119.561 120.200 -0.265 0.000 2.072 297 E HA -0.114 4.237 4.350 0.001 0.000 0.191 297 E C 2.201 178.570 176.600 -0.386 0.000 0.985 297 E CA 1.403 57.620 56.400 -0.304 0.000 0.801 297 E CB -0.774 28.774 29.700 -0.254 0.000 0.750 297 E HN 0.398 nan 8.360 nan 0.000 0.452 298 V N 1.786 121.391 119.914 -0.515 0.000 2.295 298 V HA -0.254 3.867 4.120 0.001 0.000 0.246 298 V C 2.455 178.343 176.094 -0.343 0.000 1.049 298 V CA 1.983 63.994 62.300 -0.482 0.000 1.024 298 V CB -0.857 30.558 31.823 -0.680 0.000 0.648 298 V HN 0.259 nan 8.190 nan 0.000 0.447 299 A N -0.583 122.047 122.820 -0.316 0.000 1.969 299 A HA -0.215 4.105 4.320 0.001 0.000 0.218 299 A C 2.316 179.729 177.584 -0.285 0.000 1.169 299 A CA 1.903 53.786 52.037 -0.255 0.000 0.635 299 A CB -0.458 18.405 19.000 -0.228 0.000 0.810 299 A HN 0.532 nan 8.150 nan 0.000 0.445 300 K N -0.537 119.664 120.400 -0.331 0.000 2.001 300 K HA -0.194 4.127 4.320 0.001 0.000 0.214 300 K C 1.747 178.039 176.600 -0.513 0.000 1.050 300 K CA 1.793 57.824 56.287 -0.426 0.000 0.934 300 K CB -0.357 31.866 32.500 -0.462 0.000 0.718 300 K HN 0.295 nan 8.250 nan 0.000 0.443 301 L N 1.245 122.178 121.223 -0.484 0.000 2.079 301 L HA -0.171 4.170 4.340 0.001 0.000 0.210 301 L C 2.468 179.198 176.870 -0.233 0.000 1.081 301 L CA 1.671 56.286 54.840 -0.374 0.000 0.752 301 L CB -0.415 41.518 42.059 -0.209 0.000 0.896 301 L HN 0.192 nan 8.230 nan 0.000 0.433 302 R N -1.326 119.038 120.500 -0.227 0.000 2.062 302 R HA 0.016 4.356 4.340 0.001 0.000 0.226 302 R C 2.305 178.448 176.300 -0.262 0.000 1.125 302 R CA 1.102 57.078 56.100 -0.205 0.000 0.966 302 R CB -0.543 29.645 30.300 -0.187 0.000 0.861 302 R HN 0.343 nan 8.270 nan 0.000 0.433 303 A N 1.334 123.984 122.820 -0.283 0.000 1.930 303 A HA -0.033 4.288 4.320 0.001 0.000 0.217 303 A C 2.355 179.815 177.584 -0.207 0.000 1.175 303 A CA 1.479 53.345 52.037 -0.285 0.000 0.627 303 A CB -0.578 18.276 19.000 -0.243 0.000 0.815 303 A HN 0.369 nan 8.150 nan 0.000 0.443 304 A N 0.158 122.847 122.820 -0.217 0.000 1.902 304 A HA -0.187 4.133 4.320 0.001 0.000 0.217 304 A C 2.227 179.796 177.584 -0.026 0.000 1.181 304 A CA 1.550 53.517 52.037 -0.117 0.000 0.623 304 A CB -0.508 18.363 19.000 -0.214 0.000 0.818 304 A HN 0.559 nan 8.150 nan 0.000 0.443 305 R N -0.940 119.534 120.500 -0.044 0.000 2.091 305 R HA -0.142 4.198 4.340 0.001 0.000 0.238 305 R C 2.296 178.631 176.300 0.058 0.000 1.136 305 R CA 1.848 57.963 56.100 0.025 0.000 0.959 305 R CB -0.484 29.825 30.300 0.015 0.000 0.856 305 R HN 0.568 nan 8.270 nan 0.000 0.437 306 M N 0.510 120.072 119.600 -0.064 0.000 2.086 306 M HA -0.160 4.321 4.480 0.001 0.000 0.261 306 M C 2.319 178.597 176.300 -0.037 0.000 1.067 306 M CA 1.716 56.954 55.300 -0.104 0.000 1.116 306 M CB -0.375 32.053 32.600 -0.288 0.000 1.348 306 M HN 0.128 nan 8.290 nan 0.000 0.407 307 L N -1.234 119.994 121.223 0.009 0.000 2.141 307 L HA -0.215 4.126 4.340 0.001 0.000 0.209 307 L C 2.447 179.476 176.870 0.266 0.000 1.094 307 L CA 1.106 56.023 54.840 0.129 0.000 0.763 307 L CB -0.794 41.416 42.059 0.252 0.000 0.908 307 L HN 0.580 nan 8.230 nan 0.000 0.437 308 W N 1.419 122.748 121.300 0.050 0.000 2.355 308 W HA -0.269 4.392 4.660 0.001 0.000 0.309 308 W C 2.495 179.084 176.519 0.116 0.000 1.206 308 W CA 1.548 58.930 57.345 0.062 0.000 1.284 308 W CB 0.025 29.424 29.460 -0.102 0.000 1.145 308 W HN 0.195 nan 8.180 nan 0.000 0.502 309 A N 0.886 123.762 122.820 0.094 0.000 1.873 309 A HA -0.316 4.004 4.320 0.001 0.000 0.218 309 A C 2.020 179.608 177.584 0.007 0.000 1.193 309 A CA 2.466 54.536 52.037 0.056 0.000 0.629 309 A CB -1.167 17.930 19.000 0.161 0.000 0.826 309 A HN 0.401 nan 8.150 nan 0.000 0.447 310 K N -0.452 119.960 120.400 0.019 0.000 2.025 310 K HA -0.063 4.257 4.320 0.001 0.000 0.207 310 K C 1.979 178.669 176.600 0.150 0.000 1.049 310 K CA 1.366 57.684 56.287 0.051 0.000 0.933 310 K CB -0.351 32.093 32.500 -0.094 0.000 0.714 310 K HN 0.449 nan 8.250 nan 0.000 0.438 311 L N 0.726 122.051 121.223 0.170 0.000 2.012 311 L HA -0.214 4.127 4.340 0.001 0.000 0.210 311 L C 2.407 179.295 176.870 0.030 0.000 1.073 311 L CA 1.140 56.076 54.840 0.161 0.000 0.748 311 L CB -0.463 41.710 42.059 0.190 0.000 0.891 311 L HN 0.043 nan 8.230 nan 0.000 0.431 312 V N -1.155 118.608 119.914 -0.251 0.000 2.626 312 V HA -0.278 3.842 4.120 0.001 0.000 0.252 312 V C 2.378 178.543 176.094 0.118 0.000 1.067 312 V CA 1.628 63.828 62.300 -0.167 0.000 1.081 312 V CB -0.848 30.669 31.823 -0.510 0.000 0.686 312 V HN 0.476 nan 8.190 nan 0.000 0.468 313 H N 0.702 119.770 119.070 -0.003 0.000 2.489 313 H HA -0.149 4.408 4.556 0.001 0.000 0.295 313 H C 2.273 177.609 175.328 0.014 0.000 1.082 313 H CA 1.667 57.725 56.048 0.017 0.000 1.295 313 H CB -0.024 29.739 29.762 0.002 0.000 1.380 313 H HN 0.545 nan 8.280 nan 0.000 0.548 314 Q N -1.220 118.523 119.800 -0.096 0.000 2.123 314 Q HA -0.089 4.252 4.340 0.001 0.000 0.199 314 Q C 1.535 177.305 176.000 -0.383 0.000 0.966 314 Q CA 1.218 56.863 55.803 -0.263 0.000 0.845 314 Q CB -0.034 28.577 28.738 -0.212 0.000 0.907 314 Q HN 0.477 nan 8.270 nan 0.000 0.439 315 F N 0.300 120.205 119.950 -0.076 0.000 2.604 315 F HA 0.084 4.611 4.527 0.001 0.000 0.298 315 F C 1.393 177.160 175.800 -0.055 0.000 1.131 315 F CA 0.789 58.759 58.000 -0.051 0.000 1.457 315 F CB -0.202 38.771 39.000 -0.044 0.000 1.095 315 F HN 0.114 nan 8.300 nan 0.000 0.574 316 G N 1.713 110.524 108.800 0.018 0.000 2.359 316 G HA2 -0.235 3.726 3.960 0.001 0.000 0.298 316 G HA3 -0.235 3.726 3.960 0.001 0.000 0.298 316 G C -2.238 172.696 174.900 0.057 0.000 1.030 316 G CA -0.470 44.625 45.100 -0.009 0.000 1.149 316 G HN 0.205 nan 8.290 nan 0.000 0.512 317 P HA 0.334 nan 4.420 nan 0.000 0.274 317 P C 0.350 177.694 177.300 0.073 0.000 1.231 317 P CA -0.266 62.877 63.100 0.071 0.000 0.790 317 P CB 1.244 32.982 31.700 0.063 0.000 0.951 318 K N 0.138 120.574 120.400 0.060 0.000 2.391 318 K HA 0.128 4.448 4.320 0.001 0.000 0.197 318 K C 0.468 177.104 176.600 0.059 0.000 1.087 318 K CA 0.269 56.590 56.287 0.058 0.000 1.012 318 K CB -0.074 32.454 32.500 0.047 0.000 0.925 318 K HN 0.395 nan 8.250 nan 0.000 0.547 319 N N 2.481 121.215 118.700 0.058 0.000 2.425 319 N HA 0.129 4.869 4.740 0.001 0.000 0.268 319 N C -1.905 173.657 175.510 0.088 0.000 0.991 319 N CA -2.011 51.077 53.050 0.063 0.000 0.931 319 N CB 1.813 40.329 38.487 0.049 0.000 1.130 319 N HN -0.182 nan 8.380 nan 0.000 0.493 320 P HA -0.135 nan 4.420 nan 0.000 0.217 320 P C 0.602 178.055 177.300 0.255 0.000 1.150 320 P CA 1.289 64.504 63.100 0.192 0.000 0.832 320 P CB 0.515 32.321 31.700 0.178 0.000 0.787 321 K N -0.089 120.412 120.400 0.169 0.000 2.281 321 K HA -0.043 4.278 4.320 0.001 0.000 0.203 321 K C 2.285 178.920 176.600 0.057 0.000 1.046 321 K CA 1.112 57.461 56.287 0.103 0.000 0.938 321 K CB -0.346 32.208 32.500 0.090 0.000 0.737 321 K HN 0.099 nan 8.250 nan 0.000 0.458 322 S N 1.057 116.785 115.700 0.047 0.000 2.399 322 S HA -0.072 4.399 4.470 0.001 0.000 0.231 322 S C 1.665 176.278 174.600 0.022 0.000 1.022 322 S CA 1.166 59.367 58.200 0.002 0.000 0.983 322 S CB -0.030 63.146 63.200 -0.040 0.000 0.803 322 S HN 0.298 nan 8.310 nan 0.000 0.480 323 M N 1.527 121.160 119.600 0.054 0.000 2.556 323 M HA 0.080 4.561 4.480 0.001 0.000 0.245 323 M C 0.645 176.971 176.300 0.044 0.000 1.128 323 M CA -0.011 55.321 55.300 0.053 0.000 1.069 323 M CB -0.004 32.726 32.600 0.217 0.000 1.469 323 M HN 0.189 nan 8.290 nan 0.000 0.494 324 S N 1.166 116.759 115.700 -0.179 0.000 2.499 324 S HA 0.369 4.840 4.470 0.001 0.000 0.275 324 S C -0.449 174.116 174.600 -0.058 0.000 1.257 324 S CA -0.811 57.047 58.200 -0.568 0.000 1.050 324 S CB 0.916 63.656 63.200 -0.765 0.000 0.937 324 S HN 0.407 nan 8.310 nan 0.000 0.490 325 L N 4.744 125.912 121.223 -0.091 0.000 2.261 325 L HA 0.468 4.808 4.340 0.001 0.000 0.289 325 L C -0.212 176.573 176.870 -0.142 0.000 1.059 325 L CA -0.628 54.126 54.840 -0.144 0.000 0.816 325 L CB 0.345 42.230 42.059 -0.290 0.000 1.191 325 L HN 0.785 nan 8.230 nan 0.000 0.431 326 R N 3.522 123.995 120.500 -0.044 0.000 2.246 326 R HA 0.391 4.731 4.340 0.001 0.000 0.332 326 R C -0.497 175.826 176.300 0.039 0.000 0.974 326 R CA -0.416 55.664 56.100 -0.034 0.000 0.837 326 R CB 1.720 32.014 30.300 -0.009 0.000 1.145 326 R HN 0.471 nan 8.270 nan 0.000 0.467 327 T N 0.679 115.268 114.554 0.059 0.000 2.924 327 T HA 0.266 4.616 4.350 0.001 0.000 0.291 327 T C -1.235 173.538 174.700 0.122 0.000 1.045 327 T CA -0.652 61.498 62.100 0.083 0.000 1.015 327 T CB 1.037 69.971 68.868 0.110 0.000 1.103 327 T HN 0.622 nan 8.240 nan 0.000 0.496 328 H N 0.545 119.602 119.070 -0.021 0.000 2.525 328 H HA 0.780 5.337 4.556 0.001 0.000 0.340 328 H C -0.814 174.565 175.328 0.086 0.000 1.168 328 H CA -0.169 55.836 56.048 -0.071 0.000 1.247 328 H CB 1.282 30.832 29.762 -0.353 0.000 1.568 328 H HN 0.502 nan 8.280 nan 0.000 0.536 329 S N 1.927 117.357 115.700 -0.451 0.000 2.546 329 S HA 0.309 4.779 4.470 0.001 0.000 0.274 329 S C -1.457 172.947 174.600 -0.327 0.000 1.121 329 S CA -0.835 57.293 58.200 -0.120 0.000 0.887 329 S CB 1.912 65.102 63.200 -0.018 0.000 1.094 329 S HN 0.675 nan 8.310 nan 0.000 0.474 330 Q N 1.777 121.614 119.800 0.061 0.000 2.304 330 Q HA 0.471 4.812 4.340 0.001 0.000 0.270 330 Q C -0.551 175.548 176.000 0.166 0.000 1.035 330 Q CA -0.659 55.157 55.803 0.021 0.000 0.781 330 Q CB 1.400 29.979 28.738 -0.265 0.000 1.261 330 Q HN 0.804 nan 8.270 nan 0.000 0.444 331 T N 0.419 115.070 114.554 0.162 0.000 2.903 331 T HA 0.079 4.429 4.350 0.001 0.000 0.314 331 T C 0.485 175.385 174.700 0.333 0.000 1.078 331 T CA -0.456 61.760 62.100 0.193 0.000 1.114 331 T CB 1.231 70.173 68.868 0.124 0.000 0.987 331 T HN 0.469 nan 8.240 nan 0.000 0.548 332 S N 1.556 117.439 115.700 0.305 0.000 2.443 332 S HA 0.327 4.797 4.470 0.001 0.000 0.284 332 S C 1.690 176.479 174.600 0.314 0.000 1.206 332 S CA -0.284 58.127 58.200 0.352 0.000 1.074 332 S CB -0.419 62.956 63.200 0.291 0.000 0.963 332 S HN 0.937 nan 8.310 nan 0.000 0.501 333 G N 4.602 113.624 108.800 0.370 0.000 2.418 333 G HA2 -0.225 3.735 3.960 0.001 0.000 0.217 333 G HA3 -0.225 3.735 3.960 0.001 0.000 0.217 333 G C 1.042 176.061 174.900 0.198 0.000 1.158 333 G CA 0.684 45.957 45.100 0.289 0.000 0.771 333 G HN 0.876 nan 8.290 nan 0.000 0.545 334 W N 2.397 123.742 121.300 0.074 0.000 2.321 334 W HA -0.232 4.428 4.660 0.001 0.000 0.306 334 W C 3.006 179.552 176.519 0.045 0.000 1.217 334 W CA 2.808 60.176 57.345 0.038 0.000 1.257 334 W CB -0.276 29.184 29.460 -0.000 0.000 1.145 334 W HN 0.281 nan 8.180 nan 0.000 0.509 335 S N 0.087 115.768 115.700 -0.031 0.000 2.447 335 S HA -0.074 4.397 4.470 0.001 0.000 0.233 335 S C 0.857 175.350 174.600 -0.178 0.000 1.006 335 S CA 0.729 58.841 58.200 -0.147 0.000 0.957 335 S CB -0.841 62.433 63.200 0.124 0.000 0.773 335 S HN 0.155 nan 8.310 nan 0.000 0.507 336 L N 2.597 123.755 121.223 -0.109 0.000 2.350 336 L HA 0.464 4.804 4.340 0.001 0.000 0.275 336 L C 0.670 177.456 176.870 -0.139 0.000 1.099 336 L CA -0.602 54.188 54.840 -0.083 0.000 0.808 336 L CB 1.138 43.187 42.059 -0.017 0.000 1.149 336 L HN 0.265 nan 8.230 nan 0.000 0.442 337 T N -1.536 112.950 114.554 -0.113 0.000 2.948 337 T HA 0.589 4.940 4.350 0.001 0.000 0.285 337 T C 0.602 175.263 174.700 -0.065 0.000 1.019 337 T CA -0.199 61.836 62.100 -0.108 0.000 1.013 337 T CB 2.036 70.848 68.868 -0.093 0.000 1.117 337 T HN 0.600 nan 8.240 nan 0.000 0.533 338 A N -0.035 122.755 122.820 -0.051 0.000 2.267 338 A HA 0.345 4.666 4.320 0.001 0.000 0.213 338 A C 0.604 178.180 177.584 -0.013 0.000 1.192 338 A CA 0.081 52.101 52.037 -0.029 0.000 0.851 338 A CB -0.289 18.702 19.000 -0.015 0.000 0.881 338 A HN 0.701 nan 8.150 nan 0.000 0.494 339 Q N -0.501 119.294 119.800 -0.008 0.000 2.306 339 Q HA 0.461 4.802 4.340 0.001 0.000 0.265 339 Q C -0.561 175.450 176.000 0.018 0.000 1.022 339 Q CA -0.415 55.395 55.803 0.011 0.000 0.853 339 Q CB 1.103 29.851 28.738 0.016 0.000 1.327 339 Q HN 0.257 nan 8.270 nan 0.000 0.449 340 D N 0.442 120.866 120.400 0.041 0.000 2.740 340 D HA -0.166 4.474 4.640 0.001 0.000 0.231 340 D C 0.734 177.072 176.300 0.064 0.000 1.194 340 D CA 0.846 54.887 54.000 0.068 0.000 0.673 340 D CB -0.461 40.380 40.800 0.068 0.000 0.995 340 D HN 0.507 nan 8.370 nan 0.000 0.411 341 V N -0.949 118.985 119.914 0.034 0.000 2.439 341 V HA -0.332 3.788 4.120 0.001 0.000 0.253 341 V C 1.936 177.941 176.094 -0.148 0.000 1.074 341 V CA 1.817 64.077 62.300 -0.068 0.000 1.076 341 V CB -1.013 30.732 31.823 -0.129 0.000 0.664 341 V HN 0.431 nan 8.190 nan 0.000 0.461 342 Y N 1.621 121.941 120.300 0.034 0.000 2.421 342 Y HA 0.004 4.554 4.550 0.001 0.000 0.292 342 Y C 2.578 178.490 175.900 0.020 0.000 1.136 342 Y CA 1.470 59.590 58.100 0.035 0.000 1.255 342 Y CB -0.649 37.837 38.460 0.044 0.000 0.991 342 Y HN 0.332 nan 8.280 nan 0.000 0.552 343 N N 0.290 119.058 118.700 0.114 0.000 2.272 343 N HA -0.169 4.571 4.740 0.001 0.000 0.185 343 N C 1.198 176.727 175.510 0.030 0.000 1.014 343 N CA 1.039 54.129 53.050 0.066 0.000 0.870 343 N CB -0.411 38.108 38.487 0.053 0.000 0.975 343 N HN 0.449 nan 8.380 nan 0.000 0.433 344 N N 0.793 119.490 118.700 -0.005 0.000 2.223 344 N HA -0.080 4.660 4.740 0.001 0.000 0.185 344 N C 1.871 177.373 175.510 -0.014 0.000 1.016 344 N CA 0.500 53.536 53.050 -0.022 0.000 0.863 344 N CB -0.484 37.972 38.487 -0.051 0.000 0.983 344 N HN 0.074 nan 8.380 nan 0.000 0.429 345 V N 0.988 120.897 119.914 -0.008 0.000 2.287 345 V HA -0.199 3.922 4.120 0.001 0.000 0.248 345 V C 2.482 178.585 176.094 0.014 0.000 1.053 345 V CA 1.314 63.616 62.300 0.004 0.000 1.027 345 V CB -0.673 31.176 31.823 0.044 0.000 0.646 345 V HN 0.065 nan 8.190 nan 0.000 0.447 346 V N 0.298 120.228 119.914 0.026 0.000 2.295 346 V HA -0.278 3.843 4.120 0.001 0.000 0.246 346 V C 2.591 178.704 176.094 0.032 0.000 1.049 346 V CA 2.322 64.637 62.300 0.025 0.000 1.024 346 V CB -0.888 30.952 31.823 0.029 0.000 0.648 346 V HN 0.507 nan 8.190 nan 0.000 0.447 347 R N -0.010 120.509 120.500 0.032 0.000 2.081 347 R HA -0.126 4.215 4.340 0.001 0.000 0.235 347 R C 2.341 178.672 176.300 0.052 0.000 1.131 347 R CA 1.883 58.009 56.100 0.043 0.000 0.960 347 R CB -0.900 29.420 30.300 0.034 0.000 0.856 347 R HN 0.487 nan 8.270 nan 0.000 0.436 348 T N 0.527 115.106 114.554 0.041 0.000 2.821 348 T HA -0.176 4.175 4.350 0.001 0.000 0.267 348 T C 2.046 176.775 174.700 0.048 0.000 1.046 348 T CA 1.141 63.267 62.100 0.044 0.000 1.139 348 T CB -0.423 68.460 68.868 0.025 0.000 0.871 348 T HN 0.380 nan 8.240 nan 0.000 0.454 349 C N 1.736 121.065 119.300 0.048 0.000 2.388 349 C HA -0.100 4.361 4.460 0.001 0.000 0.277 349 C C 2.533 177.580 174.990 0.095 0.000 1.210 349 C CA 0.447 59.508 59.018 0.072 0.000 1.743 349 C CB -1.352 26.421 27.740 0.054 0.000 2.047 349 C HN 0.445 nan 8.230 nan 0.000 0.458 350 I N 0.883 121.507 120.570 0.089 0.000 2.226 350 I HA -0.153 4.018 4.170 0.001 0.000 0.245 350 I C 2.438 178.657 176.117 0.171 0.000 1.100 350 I CA 1.723 63.095 61.300 0.120 0.000 1.374 350 I CB -1.851 36.195 38.000 0.076 0.000 1.057 350 I HN 0.545 nan 8.210 nan 0.000 0.413 351 E N 1.143 121.412 120.200 0.114 0.000 2.051 351 E HA -0.167 4.183 4.350 0.001 0.000 0.192 351 E C 2.384 179.007 176.600 0.037 0.000 0.991 351 E CA 1.427 57.877 56.400 0.082 0.000 0.799 351 E CB -0.201 29.549 29.700 0.083 0.000 0.748 351 E HN 0.496 nan 8.360 nan 0.000 0.449 352 A N 1.018 123.853 122.820 0.025 0.000 1.908 352 A HA -0.250 4.070 4.320 0.001 0.000 0.218 352 A C 2.168 179.713 177.584 -0.065 0.000 1.181 352 A CA 1.645 53.656 52.037 -0.044 0.000 0.627 352 A CB -0.538 18.457 19.000 -0.008 0.000 0.818 352 A HN 0.159 nan 8.150 nan 0.000 0.445 353 M N -0.586 119.056 119.600 0.070 0.000 2.082 353 M HA -0.216 4.265 4.480 0.001 0.000 0.258 353 M C 2.538 178.929 176.300 0.152 0.000 1.069 353 M CA 1.759 57.170 55.300 0.186 0.000 1.102 353 M CB -0.419 32.394 32.600 0.354 0.000 1.336 353 M HN 0.496 nan 8.290 nan 0.000 0.404 354 A N 0.103 122.929 122.820 0.011 0.000 1.858 354 A HA -0.114 4.207 4.320 0.001 0.000 0.216 354 A C 2.345 179.751 177.584 -0.295 0.000 1.190 354 A CA 2.097 53.850 52.037 -0.473 0.000 0.617 354 A CB -1.225 17.521 19.000 -0.423 0.000 0.827 354 A HN 0.524 nan 8.150 nan 0.000 0.443 355 A N -0.332 122.383 122.820 -0.176 0.000 1.873 355 A HA -0.182 4.138 4.320 0.001 0.000 0.218 355 A C 2.488 179.985 177.584 -0.144 0.000 1.193 355 A CA 3.054 55.001 52.037 -0.149 0.000 0.629 355 A CB -1.547 17.352 19.000 -0.168 0.000 0.826 355 A HN 0.861 nan 8.150 nan 0.000 0.447 356 T N -2.659 111.764 114.554 -0.219 0.000 2.985 356 T HA -0.087 4.263 4.350 0.001 0.000 0.266 356 T C 1.719 176.545 174.700 0.210 0.000 1.076 356 T CA 1.364 63.403 62.100 -0.103 0.000 1.135 356 T CB -0.347 68.135 68.868 -0.643 0.000 0.890 356 T HN 0.597 nan 8.240 nan 0.000 0.480 357 Q N 0.623 120.482 119.800 0.099 0.000 2.435 357 Q HA 0.191 4.531 4.340 0.001 0.000 0.207 357 Q C 2.423 178.374 176.000 -0.082 0.000 0.956 357 Q CA 0.764 56.637 55.803 0.117 0.000 0.917 357 Q CB -0.157 28.797 28.738 0.360 0.000 0.997 357 Q HN 0.728 nan 8.270 nan 0.000 0.497 358 G N -0.999 107.728 108.800 -0.122 0.000 2.539 358 G HA2 -0.107 3.854 3.960 0.001 0.000 0.215 358 G HA3 -0.107 3.854 3.960 0.001 0.000 0.215 358 G C -0.215 174.688 174.900 0.005 0.000 1.141 358 G CA -0.078 44.939 45.100 -0.138 0.000 0.806 358 G HN 0.554 nan 8.290 nan 0.000 0.533 359 H N -0.143 118.927 119.070 -0.000 0.000 3.060 359 H HA -0.143 4.414 4.556 0.001 0.000 0.338 359 H C 0.300 175.694 175.328 0.110 0.000 1.327 359 H CA 0.022 56.077 56.048 0.013 0.000 1.227 359 H CB -1.684 27.997 29.762 -0.135 0.000 1.481 359 H HN 0.351 nan 8.280 nan 0.000 0.450 360 T N -0.313 114.402 114.554 0.268 0.000 2.860 360 T HA 0.086 4.437 4.350 0.001 0.000 0.299 360 T C 1.357 176.243 174.700 0.309 0.000 1.045 360 T CA 0.003 62.227 62.100 0.207 0.000 1.071 360 T CB 1.194 70.110 68.868 0.079 0.000 0.985 360 T HN 0.382 nan 8.240 nan 0.000 0.537 361 Q N 1.166 121.117 119.800 0.252 0.000 2.297 361 Q HA 0.267 4.608 4.340 0.001 0.000 0.203 361 Q C 0.488 176.674 176.000 0.310 0.000 0.931 361 Q CA 0.403 56.388 55.803 0.304 0.000 0.885 361 Q CB 0.449 29.323 28.738 0.226 0.000 0.991 361 Q HN 0.723 nan 8.270 nan 0.000 0.498 362 S N -0.945 114.905 115.700 0.250 0.000 2.618 362 S HA 0.769 5.239 4.470 0.001 0.000 0.277 362 S C -1.349 173.319 174.600 0.114 0.000 1.138 362 S CA -1.001 57.375 58.200 0.293 0.000 0.844 362 S CB 1.852 65.242 63.200 0.317 0.000 1.127 362 S HN 0.072 nan 8.310 nan 0.000 0.474 363 L N 0.886 122.198 121.223 0.148 0.000 2.466 363 L HA 0.721 5.062 4.340 0.001 0.000 0.258 363 L C -1.548 175.344 176.870 0.036 0.000 0.973 363 L CA -0.297 54.478 54.840 -0.108 0.000 0.826 363 L CB 2.124 44.087 42.059 -0.160 0.000 1.372 363 L HN 1.083 nan 8.230 nan 0.000 0.409 364 H N 0.924 119.907 119.070 -0.145 0.000 2.529 364 H HA 0.793 5.350 4.556 0.001 0.000 0.348 364 H C -1.256 174.080 175.328 0.012 0.000 1.079 364 H CA 0.060 56.117 56.048 0.016 0.000 1.198 364 H CB 1.616 31.415 29.762 0.061 0.000 1.521 364 H HN 0.721 nan 8.280 nan 0.000 0.514 365 T N 3.151 117.320 114.554 -0.642 0.000 2.786 365 T HA 0.374 4.724 4.350 0.001 0.000 0.283 365 T C -0.010 174.427 174.700 -0.439 0.000 0.992 365 T CA -1.244 60.641 62.100 -0.359 0.000 0.954 365 T CB 0.743 69.522 68.868 -0.148 0.000 0.934 365 T HN 0.553 nan 8.240 nan 0.000 0.440 366 N N 1.946 120.596 118.700 -0.084 0.000 2.326 366 N HA 0.307 5.047 4.740 0.001 0.000 0.239 366 N C 0.098 175.620 175.510 0.020 0.000 1.301 366 N CA -0.293 52.811 53.050 0.090 0.000 0.909 366 N CB 0.559 39.164 38.487 0.197 0.000 1.156 366 N HN 0.630 nan 8.380 nan 0.000 0.462 367 S N 0.053 115.784 115.700 0.051 0.000 2.681 367 S HA 0.271 4.742 4.470 0.001 0.000 0.299 367 S C 1.544 176.129 174.600 -0.026 0.000 1.113 367 S CA -0.745 57.453 58.200 -0.004 0.000 1.013 367 S CB 1.110 64.317 63.200 0.011 0.000 1.076 367 S HN 0.537 nan 8.310 nan 0.000 0.534 368 L N 0.242 121.410 121.223 -0.091 0.000 2.275 368 L HA 0.043 4.383 4.340 0.001 0.000 0.215 368 L C 1.105 177.905 176.870 -0.117 0.000 1.119 368 L CA 1.477 56.233 54.840 -0.140 0.000 0.790 368 L CB -0.908 40.976 42.059 -0.292 0.000 0.919 368 L HN 0.559 nan 8.230 nan 0.000 0.443 369 D N -0.736 119.619 120.400 -0.075 0.000 2.340 369 D HA -0.106 4.535 4.640 0.001 0.000 0.220 369 D C 1.764 178.055 176.300 -0.016 0.000 1.039 369 D CA 0.631 54.603 54.000 -0.048 0.000 0.866 369 D CB -0.190 40.588 40.800 -0.036 0.000 0.913 369 D HN 0.598 nan 8.370 nan 0.000 0.523 370 E N 1.715 121.919 120.200 0.008 0.000 2.164 370 E HA -0.276 4.075 4.350 0.001 0.000 0.206 370 E C 1.630 178.249 176.600 0.031 0.000 1.032 370 E CA 2.056 58.484 56.400 0.047 0.000 0.832 370 E CB -0.516 29.228 29.700 0.073 0.000 0.742 370 E HN 0.303 nan 8.360 nan 0.000 0.460 371 A N -0.943 121.877 122.820 0.000 0.000 2.278 371 A HA 0.253 4.573 4.320 0.001 0.000 0.212 371 A C 1.686 179.263 177.584 -0.011 0.000 1.213 371 A CA 0.357 52.388 52.037 -0.010 0.000 0.840 371 A CB -0.139 18.840 19.000 -0.035 0.000 0.866 371 A HN 0.373 nan 8.150 nan 0.000 0.489 372 I N -2.535 118.029 120.570 -0.010 0.000 3.873 372 I HA 0.447 4.617 4.170 0.001 0.000 0.284 372 I C 0.965 177.079 176.117 -0.004 0.000 1.186 372 I CA 0.748 62.040 61.300 -0.012 0.000 1.362 372 I CB 0.524 38.509 38.000 -0.026 0.000 1.432 372 I HN 0.254 nan 8.210 nan 0.000 0.454 373 A N 0.214 123.033 122.820 -0.002 0.000 2.588 373 A HA 0.640 4.960 4.320 0.001 0.000 0.309 373 A C -1.534 176.045 177.584 -0.008 0.000 1.173 373 A CA -0.622 51.413 52.037 -0.002 0.000 0.631 373 A CB 0.386 19.371 19.000 -0.025 0.000 1.364 373 A HN 0.006 nan 8.150 nan 0.000 0.526 374 L N 1.399 122.597 121.223 -0.040 0.000 2.417 374 L HA 0.358 4.699 4.340 0.001 0.000 0.268 374 L C -2.011 174.784 176.870 -0.126 0.000 1.158 374 L CA -1.665 53.130 54.840 -0.075 0.000 0.819 374 L CB 0.205 42.186 42.059 -0.129 0.000 1.112 374 L HN 0.421 nan 8.230 nan 0.000 0.458 375 P HA 0.013 nan 4.420 nan 0.000 0.267 375 P C -0.407 176.781 177.300 -0.187 0.000 1.201 375 P CA -0.125 62.935 63.100 -0.066 0.000 0.775 375 P CB 0.311 32.044 31.700 0.055 0.000 0.854 376 T N -2.202 112.296 114.554 -0.094 0.000 2.937 376 T HA 0.286 4.637 4.350 0.001 0.000 0.283 376 T C 0.825 175.547 174.700 0.037 0.000 1.012 376 T CA -0.605 61.441 62.100 -0.090 0.000 0.997 376 T CB 0.820 69.703 68.868 0.024 0.000 1.136 376 T HN 0.174 nan 8.240 nan 0.000 0.551 377 D N -0.382 120.075 120.400 0.096 0.000 2.117 377 D HA -0.046 4.594 4.640 0.001 0.000 0.197 377 D C 1.465 177.883 176.300 0.196 0.000 0.987 377 D CA 1.030 55.159 54.000 0.215 0.000 0.829 377 D CB -0.266 40.653 40.800 0.197 0.000 0.961 377 D HN 0.541 nan 8.370 nan 0.000 0.460 378 F N 1.892 121.878 119.950 0.062 0.000 2.146 378 F HA -0.192 4.336 4.527 0.001 0.000 0.298 378 F C 2.514 178.349 175.800 0.058 0.000 1.096 378 F CA 1.838 59.874 58.000 0.060 0.000 1.275 378 F CB -0.419 38.612 39.000 0.052 0.000 1.008 378 F HN -0.058 nan 8.300 nan 0.000 0.480 379 S N 0.749 116.420 115.700 -0.048 0.000 2.368 379 S HA -0.130 4.341 4.470 0.001 0.000 0.225 379 S C 2.239 176.762 174.600 -0.128 0.000 1.030 379 S CA 0.911 59.015 58.200 -0.161 0.000 0.999 379 S CB -1.228 61.954 63.200 -0.031 0.000 0.844 379 S HN 0.445 nan 8.310 nan 0.000 0.459 380 A N 1.979 124.799 122.820 0.000 0.000 2.015 380 A HA 0.070 4.390 4.320 0.001 0.000 0.219 380 A C 2.280 179.857 177.584 -0.011 0.000 1.163 380 A CA 1.232 53.307 52.037 0.063 0.000 0.646 380 A CB -0.700 18.461 19.000 0.269 0.000 0.806 380 A HN 0.633 nan 8.150 nan 0.000 0.448 381 R N -0.084 120.381 120.500 -0.058 0.000 2.070 381 R HA -0.072 4.269 4.340 0.001 0.000 0.233 381 R C 1.885 178.110 176.300 -0.125 0.000 1.137 381 R CA 1.883 57.937 56.100 -0.077 0.000 0.945 381 R CB -0.413 29.852 30.300 -0.058 0.000 0.845 381 R HN 0.491 nan 8.270 nan 0.000 0.430 382 I N 0.916 121.343 120.570 -0.238 0.000 2.226 382 I HA -0.259 3.911 4.170 0.001 0.000 0.245 382 I C 2.594 178.648 176.117 -0.106 0.000 1.100 382 I CA 1.320 62.505 61.300 -0.193 0.000 1.374 382 I CB -0.388 37.439 38.000 -0.288 0.000 1.057 382 I HN 0.366 nan 8.210 nan 0.000 0.413 383 A N 0.824 123.586 122.820 -0.097 0.000 1.877 383 A HA -0.264 4.056 4.320 0.001 0.000 0.216 383 A C 2.449 180.008 177.584 -0.042 0.000 1.186 383 A CA 2.007 54.004 52.037 -0.067 0.000 0.620 383 A CB -0.663 18.294 19.000 -0.071 0.000 0.822 383 A HN 0.411 nan 8.150 nan 0.000 0.443 384 R N -0.063 120.418 120.500 -0.031 0.000 2.092 384 R HA -0.105 4.235 4.340 0.001 0.000 0.231 384 R C 1.815 178.128 176.300 0.023 0.000 1.119 384 R CA 1.672 57.767 56.100 -0.007 0.000 0.970 384 R CB -0.503 29.784 30.300 -0.021 0.000 0.864 384 R HN 0.699 nan 8.270 nan 0.000 0.440 385 N N -0.565 118.142 118.700 0.012 0.000 2.149 385 N HA -0.136 4.605 4.740 0.001 0.000 0.188 385 N C 1.334 176.904 175.510 0.100 0.000 1.019 385 N CA 1.825 54.903 53.050 0.046 0.000 0.857 385 N CB -0.090 38.405 38.487 0.014 0.000 0.997 385 N HN 0.230 nan 8.380 nan 0.000 0.426 386 T N 1.327 115.929 114.554 0.081 0.000 2.624 386 T HA -0.222 4.129 4.350 0.001 0.000 0.268 386 T C 1.773 176.616 174.700 0.239 0.000 1.041 386 T CA 1.285 63.468 62.100 0.139 0.000 1.159 386 T CB -0.311 68.599 68.868 0.071 0.000 0.863 386 T HN 0.343 nan 8.240 nan 0.000 0.434 387 Q N 0.290 120.217 119.800 0.212 0.000 2.119 387 Q HA 0.042 4.383 4.340 0.001 0.000 0.201 387 Q C 2.516 178.666 176.000 0.250 0.000 0.972 387 Q CA 0.935 56.937 55.803 0.331 0.000 0.847 387 Q CB -0.360 28.558 28.738 0.300 0.000 0.903 387 Q HN 0.492 nan 8.270 nan 0.000 0.433 388 L N -0.276 121.030 121.223 0.139 0.000 2.005 388 L HA -0.157 4.184 4.340 0.001 0.000 0.207 388 L C 2.362 179.290 176.870 0.098 0.000 1.072 388 L CA 1.004 55.877 54.840 0.056 0.000 0.744 388 L CB -0.496 41.587 42.059 0.039 0.000 0.895 388 L HN 0.151 nan 8.230 nan 0.000 0.433 389 F N 0.926 120.903 119.950 0.044 0.000 2.065 389 F HA -0.290 4.237 4.527 0.001 0.000 0.298 389 F C 2.196 178.051 175.800 0.092 0.000 1.112 389 F CA 1.789 59.821 58.000 0.054 0.000 1.212 389 F CB -0.327 38.704 39.000 0.051 0.000 0.975 389 F HN -0.120 nan 8.300 nan 0.000 0.476 390 L N -0.176 121.087 121.223 0.066 0.000 2.141 390 L HA -0.213 4.128 4.340 0.001 0.000 0.209 390 L C 2.495 179.415 176.870 0.084 0.000 1.094 390 L CA 1.289 56.150 54.840 0.035 0.000 0.763 390 L CB -0.817 41.436 42.059 0.324 0.000 0.908 390 L HN 0.310 nan 8.230 nan 0.000 0.437 391 Q N -0.518 119.301 119.800 0.032 0.000 2.123 391 Q HA -0.198 4.143 4.340 0.001 0.000 0.199 391 Q C 2.180 178.095 176.000 -0.142 0.000 0.966 391 Q CA 1.300 57.005 55.803 -0.164 0.000 0.845 391 Q CB 0.042 28.547 28.738 -0.388 0.000 0.907 391 Q HN 0.605 nan 8.270 nan 0.000 0.439 392 Q N 0.144 119.856 119.800 -0.146 0.000 2.036 392 Q HA -0.058 4.283 4.340 0.001 0.000 0.195 392 Q C 1.530 177.437 176.000 -0.155 0.000 0.971 392 Q CA 0.882 56.606 55.803 -0.131 0.000 0.826 392 Q CB 0.298 28.985 28.738 -0.085 0.000 0.896 392 Q HN 0.288 nan 8.270 nan 0.000 0.449 393 E N 0.024 120.052 120.200 -0.286 0.000 2.364 393 E HA -0.025 4.325 4.350 0.001 0.000 0.196 393 E C 1.954 178.344 176.600 -0.350 0.000 0.990 393 E CA 0.606 56.817 56.400 -0.315 0.000 0.886 393 E CB 0.358 29.829 29.700 -0.382 0.000 0.866 393 E HN 0.201 nan 8.360 nan 0.000 0.493 394 S N -0.032 115.420 115.700 -0.414 0.000 2.423 394 S HA -0.037 4.434 4.470 0.001 0.000 0.231 394 S C 1.798 176.358 174.600 -0.067 0.000 1.014 394 S CA 1.046 59.113 58.200 -0.222 0.000 0.965 394 S CB -0.170 62.931 63.200 -0.165 0.000 0.785 394 S HN 0.329 nan 8.310 nan 0.000 0.495 395 G N 0.691 109.464 108.800 -0.044 0.000 2.153 395 G HA2 -0.304 3.657 3.960 0.001 0.000 0.252 395 G HA3 -0.304 3.657 3.960 0.001 0.000 0.252 395 G C 0.744 175.675 174.900 0.053 0.000 0.994 395 G CA 1.054 46.156 45.100 0.003 0.000 0.698 395 G HN 1.228 nan 8.290 nan 0.000 0.521 396 T N -2.782 111.834 114.554 0.104 0.000 3.100 396 T HA 0.154 4.504 4.350 0.001 0.000 0.253 396 T C 2.282 177.152 174.700 0.284 0.000 1.118 396 T CA 1.845 64.049 62.100 0.174 0.000 1.058 396 T CB -0.092 68.900 68.868 0.207 0.000 0.953 396 T HN 0.973 nan 8.240 nan 0.000 0.515 397 T N 0.629 115.353 114.554 0.283 0.000 3.035 397 T HA 0.035 4.385 4.350 0.001 0.000 0.259 397 T C 2.068 176.920 174.700 0.252 0.000 1.078 397 T CA 0.245 62.572 62.100 0.379 0.000 1.132 397 T CB -0.372 68.654 68.868 0.263 0.000 0.900 397 T HN 0.564 nan 8.240 nan 0.000 0.480 398 R N 1.318 121.907 120.500 0.148 0.000 2.127 398 R HA 0.028 4.368 4.340 0.001 0.000 0.238 398 R C 0.147 176.508 176.300 0.101 0.000 1.134 398 R CA 0.809 56.973 56.100 0.106 0.000 0.975 398 R CB -0.809 29.528 30.300 0.062 0.000 0.865 398 R HN 0.357 nan 8.270 nan 0.000 0.447 399 V N 2.110 122.085 119.914 0.102 0.000 2.513 399 V HA 0.299 4.419 4.120 0.001 0.000 0.299 399 V C 0.169 176.332 176.094 0.114 0.000 1.035 399 V CA -0.981 61.363 62.300 0.074 0.000 0.889 399 V CB 1.959 33.794 31.823 0.021 0.000 0.988 399 V HN 0.107 nan 8.190 nan 0.000 0.440 400 I N 4.051 124.675 120.570 0.090 0.000 2.505 400 I HA 0.139 4.309 4.170 0.001 0.000 0.287 400 I C 0.421 176.597 176.117 0.098 0.000 1.104 400 I CA 0.388 61.771 61.300 0.139 0.000 1.387 400 I CB -0.149 37.894 38.000 0.071 0.000 1.404 400 I HN 0.869 nan 8.210 nan 0.000 0.528 401 D N 8.324 128.820 120.400 0.161 0.000 3.205 401 D HA -0.143 4.498 4.640 0.001 0.000 0.227 401 D C -1.466 174.811 176.300 -0.038 0.000 1.171 401 D CA 0.018 53.962 54.000 -0.093 0.000 0.929 401 D CB 0.332 41.191 40.800 0.098 0.000 0.900 401 D HN 0.360 nan 8.370 nan 0.000 0.404 402 P HA -0.177 nan 4.420 nan 0.000 0.216 402 P C 1.330 178.525 177.300 -0.176 0.000 1.150 402 P CA 1.496 64.507 63.100 -0.149 0.000 0.843 402 P CB -0.254 31.325 31.700 -0.202 0.000 0.787 403 W N 0.443 121.761 121.300 0.031 0.000 2.937 403 W HA 0.167 4.827 4.660 0.001 0.000 0.245 403 W C 1.264 177.826 176.519 0.071 0.000 1.306 403 W CA 0.007 57.397 57.345 0.074 0.000 1.470 403 W CB -0.997 28.525 29.460 0.103 0.000 1.132 403 W HN -0.121 nan 8.180 nan 0.000 0.675 404 S N 0.663 116.496 115.700 0.220 0.000 2.626 404 S HA 0.250 4.721 4.470 0.001 0.000 0.303 404 S C 1.483 176.161 174.600 0.130 0.000 1.256 404 S CA 1.403 59.718 58.200 0.192 0.000 1.069 404 S CB 0.062 63.339 63.200 0.128 0.000 0.807 404 S HN 0.764 nan 8.310 nan 0.000 0.500 405 G N 3.142 112.014 108.800 0.121 0.000 2.347 405 G HA2 -0.320 3.640 3.960 0.001 0.000 0.247 405 G HA3 -0.320 3.640 3.960 0.001 0.000 0.247 405 G C 0.469 175.489 174.900 0.200 0.000 1.037 405 G CA 0.622 45.754 45.100 0.053 0.000 0.622 405 G HN 1.812 nan 8.290 nan 0.000 0.521 406 S N 1.178 117.030 115.700 0.254 0.000 2.593 406 S HA 0.449 4.920 4.470 0.001 0.000 0.300 406 S C 1.821 176.574 174.600 0.254 0.000 1.267 406 S CA 0.747 59.116 58.200 0.282 0.000 1.065 406 S CB 1.069 64.507 63.200 0.396 0.000 0.807 406 S HN 1.811 nan 8.310 nan 0.000 0.499 407 A N 5.139 128.094 122.820 0.226 0.000 2.015 407 A HA 0.024 4.345 4.320 0.001 0.000 0.219 407 A C 1.738 179.334 177.584 0.019 0.000 1.163 407 A CA 1.235 53.349 52.037 0.127 0.000 0.646 407 A CB -0.793 18.210 19.000 0.004 0.000 0.806 407 A HN 1.045 nan 8.150 nan 0.000 0.448 408 Y N 0.848 120.991 120.300 -0.261 0.000 2.114 408 Y HA -0.127 4.424 4.550 0.001 0.000 0.284 408 Y C 2.344 177.963 175.900 -0.469 0.000 1.119 408 Y CA 1.501 59.134 58.100 -0.778 0.000 1.108 408 Y CB -0.937 37.104 38.460 -0.698 0.000 0.995 408 Y HN 0.047 nan 8.280 nan 0.000 0.491 409 V N 1.346 121.075 119.914 -0.308 0.000 2.250 409 V HA -0.362 3.758 4.120 0.001 0.000 0.253 409 V C 2.523 178.578 176.094 -0.065 0.000 1.065 409 V CA 2.473 64.627 62.300 -0.244 0.000 1.039 409 V CB -0.734 31.059 31.823 -0.051 0.000 0.647 409 V HN 0.401 nan 8.190 nan 0.000 0.446 410 E N -0.292 119.961 120.200 0.090 0.000 2.051 410 E HA -0.252 4.098 4.350 0.001 0.000 0.192 410 E C 2.228 178.968 176.600 0.234 0.000 0.991 410 E CA 1.539 58.083 56.400 0.241 0.000 0.799 410 E CB -0.332 29.538 29.700 0.284 0.000 0.748 410 E HN 0.688 nan 8.360 nan 0.000 0.449 411 E N 1.217 121.479 120.200 0.102 0.000 2.058 411 E HA -0.139 4.211 4.350 0.001 0.000 0.194 411 E C 2.229 178.904 176.600 0.125 0.000 0.997 411 E CA 0.986 57.474 56.400 0.147 0.000 0.801 411 E CB -0.395 29.316 29.700 0.017 0.000 0.746 411 E HN 0.204 nan 8.360 nan 0.000 0.450 412 L N -0.190 121.000 121.223 -0.054 0.000 2.017 412 L HA -0.165 4.175 4.340 0.001 0.000 0.208 412 L C 2.546 179.391 176.870 -0.042 0.000 1.073 412 L CA 1.708 56.487 54.840 -0.101 0.000 0.745 412 L CB -0.933 40.970 42.059 -0.260 0.000 0.894 412 L HN 0.185 nan 8.230 nan 0.000 0.432 413 T N -0.919 113.630 114.554 -0.007 0.000 2.653 413 T HA -0.304 4.047 4.350 0.001 0.000 0.268 413 T C 1.460 176.222 174.700 0.102 0.000 1.035 413 T CA 1.877 63.975 62.100 -0.003 0.000 1.154 413 T CB -0.435 68.457 68.868 0.042 0.000 0.862 413 T HN 0.534 nan 8.240 nan 0.000 0.441 414 W N 1.597 122.938 121.300 0.068 0.000 2.388 414 W HA -0.150 4.511 4.660 0.001 0.000 0.294 414 W C 1.616 178.155 176.519 0.034 0.000 1.212 414 W CA 0.699 58.129 57.345 0.142 0.000 1.271 414 W CB 0.016 29.666 29.460 0.317 0.000 1.126 414 W HN 0.259 nan 8.180 nan 0.000 0.535 415 D N 0.784 121.190 120.400 0.010 0.000 2.084 415 D HA -0.173 4.468 4.640 0.001 0.000 0.196 415 D C 2.313 178.515 176.300 -0.162 0.000 0.985 415 D CA 1.499 55.413 54.000 -0.144 0.000 0.826 415 D CB -0.827 39.938 40.800 -0.058 0.000 0.978 415 D HN 0.226 nan 8.370 nan 0.000 0.456 416 L N 0.762 121.913 121.223 -0.121 0.000 2.046 416 L HA -0.149 4.191 4.340 0.001 0.000 0.208 416 L C 2.540 179.326 176.870 -0.139 0.000 1.077 416 L CA 1.039 55.795 54.840 -0.141 0.000 0.747 416 L CB -0.407 41.556 42.059 -0.160 0.000 0.896 416 L HN -0.024 nan 8.230 nan 0.000 0.432 417 A N 0.273 123.012 122.820 -0.135 0.000 1.883 417 A HA -0.246 4.074 4.320 0.001 0.000 0.217 417 A C 2.369 179.871 177.584 -0.138 0.000 1.186 417 A CA 1.851 53.814 52.037 -0.123 0.000 0.624 417 A CB -0.480 18.451 19.000 -0.116 0.000 0.822 417 A HN 0.335 nan 8.150 nan 0.000 0.444 418 R N -0.596 119.727 120.500 -0.294 0.000 2.073 418 R HA -0.013 4.328 4.340 0.001 0.000 0.229 418 R C 2.309 178.491 176.300 -0.197 0.000 1.120 418 R CA 1.415 57.335 56.100 -0.300 0.000 0.967 418 R CB -0.214 29.750 30.300 -0.559 0.000 0.862 418 R HN 0.480 nan 8.270 nan 0.000 0.436 419 K N 0.383 120.646 120.400 -0.227 0.000 2.026 419 K HA -0.066 4.254 4.320 0.001 0.000 0.208 419 K C 2.188 178.567 176.600 -0.369 0.000 1.048 419 K CA 1.386 57.487 56.287 -0.310 0.000 0.929 419 K CB -0.165 32.187 32.500 -0.247 0.000 0.713 419 K HN 0.125 nan 8.250 nan 0.000 0.439 420 A N 1.383 124.119 122.820 -0.140 0.000 1.902 420 A HA -0.203 4.117 4.320 0.001 0.000 0.217 420 A C 1.912 179.537 177.584 0.068 0.000 1.181 420 A CA 1.124 53.161 52.037 0.000 0.000 0.623 420 A CB -0.971 18.057 19.000 0.046 0.000 0.818 420 A HN 0.620 nan 8.150 nan 0.000 0.443 421 W N 0.756 121.992 121.300 -0.107 0.000 2.374 421 W HA -0.150 4.510 4.660 0.001 0.000 0.288 421 W C 2.021 178.495 176.519 -0.074 0.000 1.218 421 W CA 1.382 58.691 57.345 -0.061 0.000 1.245 421 W CB -0.309 29.108 29.460 -0.072 0.000 1.126 421 W HN 0.396 nan 8.180 nan 0.000 0.545 422 G N -0.293 108.453 108.800 -0.090 0.000 2.421 422 G HA2 -0.316 3.645 3.960 0.001 0.000 0.216 422 G HA3 -0.316 3.645 3.960 0.001 0.000 0.216 422 G C 1.206 176.018 174.900 -0.147 0.000 1.171 422 G CA 1.198 46.193 45.100 -0.174 0.000 0.775 422 G HN 0.290 nan 8.290 nan 0.000 0.543 423 H N 0.494 119.521 119.070 -0.073 0.000 2.357 423 H HA 0.055 4.612 4.556 0.001 0.000 0.301 423 H C 2.720 178.014 175.328 -0.057 0.000 1.082 423 H CA 0.900 56.919 56.048 -0.049 0.000 1.342 423 H CB -0.421 29.304 29.762 -0.062 0.000 1.389 423 H HN 0.336 nan 8.280 nan 0.000 0.511 424 I N 0.867 121.427 120.570 -0.017 0.000 2.179 424 I HA -0.300 3.871 4.170 0.001 0.000 0.242 424 I C 2.587 178.555 176.117 -0.249 0.000 1.088 424 I CA 1.286 62.507 61.300 -0.132 0.000 1.357 424 I CB -0.256 37.605 38.000 -0.232 0.000 1.051 424 I HN 0.234 nan 8.210 nan 0.000 0.409 425 Q N 0.406 119.975 119.800 -0.385 0.000 2.050 425 Q HA -0.242 4.098 4.340 0.001 0.000 0.202 425 Q C 2.530 178.444 176.000 -0.142 0.000 0.980 425 Q CA 2.242 57.856 55.803 -0.315 0.000 0.840 425 Q CB -0.345 28.169 28.738 -0.375 0.000 0.898 425 Q HN 0.649 nan 8.270 nan 0.000 0.424 426 E N 0.468 120.622 120.200 -0.076 0.000 2.049 426 E HA -0.183 4.168 4.350 0.001 0.000 0.198 426 E C 2.052 178.646 176.600 -0.011 0.000 1.007 426 E CA 1.765 58.154 56.400 -0.019 0.000 0.809 426 E CB -1.247 28.472 29.700 0.030 0.000 0.749 426 E HN 0.213 nan 8.360 nan 0.000 0.450 427 V N 1.529 121.448 119.914 0.008 0.000 2.252 427 V HA -0.283 3.837 4.120 0.001 0.000 0.249 427 V C 2.496 178.576 176.094 -0.022 0.000 1.056 427 V CA 2.220 64.524 62.300 0.008 0.000 1.022 427 V CB -0.493 31.357 31.823 0.045 0.000 0.641 427 V HN 0.578 nan 8.190 nan 0.000 0.445 428 E N 0.204 120.378 120.200 -0.044 0.000 2.268 428 E HA -0.154 4.196 4.350 0.001 0.000 0.195 428 E C 2.326 178.901 176.600 -0.041 0.000 0.995 428 E CA 1.544 57.917 56.400 -0.045 0.000 0.836 428 E CB -0.269 29.389 29.700 -0.070 0.000 0.763 428 E HN 0.728 nan 8.360 nan 0.000 0.491 429 K N 0.795 121.169 120.400 -0.043 0.000 2.432 429 K HA 0.079 4.399 4.320 0.001 0.000 0.196 429 K C 1.771 178.355 176.600 -0.026 0.000 1.038 429 K CA 0.505 56.772 56.287 -0.033 0.000 0.986 429 K CB -0.163 32.316 32.500 -0.034 0.000 0.782 429 K HN 0.001 nan 8.250 nan 0.000 0.485 430 V N 0.178 120.076 119.914 -0.026 0.000 3.271 430 V HA 0.344 4.465 4.120 0.001 0.000 0.327 430 V C 1.506 177.581 176.094 -0.032 0.000 1.389 430 V CA 0.766 63.050 62.300 -0.027 0.000 1.156 430 V CB -0.128 31.680 31.823 -0.025 0.000 1.103 430 V HN 0.816 nan 8.190 nan 0.000 0.453 431 G N -0.341 108.442 108.800 -0.029 0.000 2.175 431 G HA2 0.036 3.996 3.960 0.001 0.000 0.244 431 G HA3 0.036 3.996 3.960 0.001 0.000 0.244 431 G C 0.814 175.695 174.900 -0.031 0.000 0.982 431 G CA 0.004 45.086 45.100 -0.029 0.000 0.641 431 G HN 1.811 nan 8.290 nan 0.000 0.527 432 G N -1.919 106.862 108.800 -0.033 0.000 2.541 432 G HA2 0.236 4.197 3.960 0.001 0.000 0.686 432 G HA3 0.236 4.197 3.960 0.001 0.000 0.686 432 G C 0.550 175.412 174.900 -0.063 0.000 1.286 432 G CA 0.290 45.370 45.100 -0.033 0.000 0.894 432 G HN 0.669 nan 8.290 nan 0.000 0.575 433 M N 0.405 119.962 119.600 -0.071 0.000 2.175 433 M HA -0.014 4.467 4.480 0.001 0.000 0.264 433 M C 3.009 179.227 176.300 -0.136 0.000 1.063 433 M CA 2.583 57.813 55.300 -0.116 0.000 1.119 433 M CB -1.788 30.748 32.600 -0.107 0.000 1.377 433 M HN 1.199 nan 8.290 nan 0.000 0.415 434 A N 0.609 123.349 122.820 -0.133 0.000 1.865 434 A HA -0.210 4.110 4.320 0.001 0.000 0.217 434 A C 2.285 179.783 177.584 -0.143 0.000 1.191 434 A CA 1.826 53.775 52.037 -0.146 0.000 0.623 434 A CB -0.604 18.309 19.000 -0.144 0.000 0.826 434 A HN 0.451 nan 8.150 nan 0.000 0.444 435 K N -0.540 119.792 120.400 -0.114 0.000 2.032 435 K HA -0.142 4.179 4.320 0.001 0.000 0.209 435 K C 2.306 178.846 176.600 -0.099 0.000 1.048 435 K CA 1.348 57.576 56.287 -0.098 0.000 0.927 435 K CB -0.389 32.067 32.500 -0.073 0.000 0.712 435 K HN 0.464 nan 8.250 nan 0.000 0.441 436 A N 1.148 123.904 122.820 -0.107 0.000 1.969 436 A HA -0.084 4.236 4.320 0.001 0.000 0.218 436 A C 2.089 179.589 177.584 -0.139 0.000 1.169 436 A CA 1.081 53.047 52.037 -0.118 0.000 0.635 436 A CB -0.419 18.501 19.000 -0.133 0.000 0.810 436 A HN 0.174 nan 8.150 nan 0.000 0.445 437 I N -0.991 119.488 120.570 -0.150 0.000 2.406 437 I HA -0.134 4.036 4.170 0.001 0.000 0.249 437 I C 2.412 178.464 176.117 -0.109 0.000 1.122 437 I CA 1.215 62.437 61.300 -0.130 0.000 1.431 437 I CB -0.162 37.770 38.000 -0.113 0.000 1.087 437 I HN 0.216 nan 8.210 nan 0.000 0.424 438 E N 1.710 121.830 120.200 -0.133 0.000 2.153 438 E HA -0.194 4.156 4.350 0.001 0.000 0.194 438 E C 1.834 178.394 176.600 -0.067 0.000 0.988 438 E CA 1.370 57.702 56.400 -0.113 0.000 0.811 438 E CB -0.090 29.526 29.700 -0.140 0.000 0.746 438 E HN 0.317 nan 8.360 nan 0.000 0.466 439 K N -1.041 119.321 120.400 -0.063 0.000 2.555 439 K HA 0.052 4.373 4.320 0.001 0.000 0.193 439 K C 1.099 177.677 176.600 -0.035 0.000 1.032 439 K CA 0.569 56.829 56.287 -0.045 0.000 1.004 439 K CB -0.001 32.472 32.500 -0.046 0.000 0.804 439 K HN 0.282 nan 8.250 nan 0.000 0.496 440 G N 1.744 110.523 108.800 -0.036 0.000 2.166 440 G HA2 -0.290 3.671 3.960 0.001 0.000 0.260 440 G HA3 -0.290 3.671 3.960 0.001 0.000 0.260 440 G C 0.807 175.689 174.900 -0.029 0.000 0.986 440 G CA 0.317 45.403 45.100 -0.022 0.000 0.683 440 G HN 0.313 nan 8.290 nan 0.000 0.527 441 I N 0.808 121.352 120.570 -0.043 0.000 2.163 441 I HA -0.100 4.070 4.170 0.001 0.000 0.240 441 I C 0.559 176.661 176.117 -0.025 0.000 1.081 441 I CA 1.815 63.097 61.300 -0.030 0.000 1.353 441 I CB -1.240 36.745 38.000 -0.024 0.000 1.054 441 I HN 0.129 nan 8.210 nan 0.000 0.407 442 P HA -0.254 nan 4.420 nan 0.000 0.214 442 P C 1.567 178.870 177.300 0.006 0.000 1.169 442 P CA 1.729 64.745 63.100 -0.140 0.000 0.908 442 P CB -0.152 31.238 31.700 -0.517 0.000 0.791 443 K N -1.070 119.321 120.400 -0.014 0.000 2.211 443 K HA -0.122 4.199 4.320 0.001 0.000 0.204 443 K C 2.078 178.686 176.600 0.014 0.000 1.047 443 K CA 1.388 57.683 56.287 0.013 0.000 0.935 443 K CB -0.417 32.094 32.500 0.019 0.000 0.728 443 K HN 0.045 nan 8.250 nan 0.000 0.452 444 M N -0.236 119.370 119.600 0.010 0.000 2.132 444 M HA -0.133 4.348 4.480 0.001 0.000 0.263 444 M C 2.243 178.549 176.300 0.010 0.000 1.065 444 M CA 1.467 56.772 55.300 0.008 0.000 1.122 444 M CB -0.071 32.532 32.600 0.005 0.000 1.365 444 M HN 0.035 nan 8.290 nan 0.000 0.411 445 R N 0.712 121.227 120.500 0.025 0.000 2.091 445 R HA -0.103 4.237 4.340 0.001 0.000 0.238 445 R C 1.708 178.006 176.300 -0.004 0.000 1.136 445 R CA 1.726 57.837 56.100 0.018 0.000 0.959 445 R CB -0.457 29.879 30.300 0.061 0.000 0.856 445 R HN 0.357 nan 8.270 nan 0.000 0.437 446 I N 0.092 120.670 120.570 0.012 0.000 2.286 446 I HA -0.175 3.995 4.170 0.001 0.000 0.245 446 I C 1.996 178.086 176.117 -0.045 0.000 1.104 446 I CA 1.322 62.606 61.300 -0.026 0.000 1.397 446 I CB -0.198 37.805 38.000 0.004 0.000 1.072 446 I HN 0.292 nan 8.210 nan 0.000 0.417 447 E N 0.646 120.831 120.200 -0.026 0.000 2.106 447 E HA -0.236 4.115 4.350 0.001 0.000 0.192 447 E C 2.023 178.612 176.600 -0.019 0.000 0.984 447 E CA 1.156 57.540 56.400 -0.027 0.000 0.806 447 E CB 0.004 29.695 29.700 -0.015 0.000 0.750 447 E HN 0.493 nan 8.360 nan 0.000 0.458 448 E N 0.558 120.751 120.200 -0.012 0.000 2.072 448 E HA -0.168 4.183 4.350 0.001 0.000 0.191 448 E C 2.053 178.644 176.600 -0.015 0.000 0.985 448 E CA 0.930 57.328 56.400 -0.003 0.000 0.801 448 E CB -0.100 29.597 29.700 -0.004 0.000 0.750 448 E HN 0.225 nan 8.360 nan 0.000 0.452 449 A N 1.340 124.136 122.820 -0.041 0.000 1.933 449 A HA -0.136 4.185 4.320 0.001 0.000 0.218 449 A C 2.354 179.894 177.584 -0.074 0.000 1.175 449 A CA 1.704 53.703 52.037 -0.062 0.000 0.628 449 A CB -0.610 18.335 19.000 -0.092 0.000 0.814 449 A HN 0.298 nan 8.150 nan 0.000 0.444 450 A N -0.308 122.459 122.820 -0.088 0.000 1.930 450 A HA 0.245 4.566 4.320 0.001 0.000 0.217 450 A C 2.478 180.064 177.584 0.005 0.000 1.175 450 A CA 1.829 53.808 52.037 -0.098 0.000 0.627 450 A CB -0.892 18.035 19.000 -0.122 0.000 0.815 450 A HN 0.971 nan 8.150 nan 0.000 0.443 451 A N 0.098 122.944 122.820 0.043 0.000 1.873 451 A HA -0.135 4.185 4.320 0.001 0.000 0.215 451 A C 2.235 179.906 177.584 0.144 0.000 1.186 451 A CA 1.451 53.576 52.037 0.147 0.000 0.616 451 A CB -0.463 18.630 19.000 0.154 0.000 0.823 451 A HN 0.543 nan 8.150 nan 0.000 0.442 452 R N -0.740 119.792 120.500 0.054 0.000 2.083 452 R HA -0.101 4.240 4.340 0.001 0.000 0.237 452 R C 2.309 178.629 176.300 0.034 0.000 1.137 452 R CA 1.944 58.055 56.100 0.017 0.000 0.951 452 R CB -0.995 29.304 30.300 -0.002 0.000 0.851 452 R HN 0.529 nan 8.270 nan 0.000 0.434 453 T N 0.851 115.428 114.554 0.038 0.000 2.684 453 T HA -0.217 4.133 4.350 0.001 0.000 0.267 453 T C 1.777 176.568 174.700 0.151 0.000 1.036 453 T CA 1.503 63.652 62.100 0.081 0.000 1.148 453 T CB -0.260 68.625 68.868 0.028 0.000 0.863 453 T HN 0.163 nan 8.240 nan 0.000 0.436 454 Q N 1.302 121.212 119.800 0.185 0.000 2.077 454 Q HA -0.069 4.272 4.340 0.001 0.000 0.206 454 Q C 2.366 178.513 176.000 0.245 0.000 0.989 454 Q CA 2.007 57.964 55.803 0.257 0.000 0.853 454 Q CB -0.849 28.063 28.738 0.290 0.000 0.907 454 Q HN 0.549 nan 8.270 nan 0.000 0.418 455 A N 0.278 123.164 122.820 0.111 0.000 1.908 455 A HA -0.241 4.080 4.320 0.001 0.000 0.218 455 A C 2.060 179.607 177.584 -0.061 0.000 1.181 455 A CA 1.778 53.698 52.037 -0.195 0.000 0.627 455 A CB -0.514 18.185 19.000 -0.502 0.000 0.818 455 A HN 0.443 nan 8.150 nan 0.000 0.445 456 R N -0.530 119.972 120.500 0.003 0.000 2.081 456 R HA -0.036 4.304 4.340 0.001 0.000 0.235 456 R C 2.006 178.341 176.300 0.058 0.000 1.131 456 R CA 1.613 57.732 56.100 0.031 0.000 0.960 456 R CB -0.529 29.808 30.300 0.060 0.000 0.856 456 R HN 0.564 nan 8.270 nan 0.000 0.436 457 I N 1.053 121.683 120.570 0.100 0.000 2.163 457 I HA -0.253 3.918 4.170 0.001 0.000 0.240 457 I C 1.618 177.778 176.117 0.071 0.000 1.081 457 I CA 1.327 62.683 61.300 0.093 0.000 1.353 457 I CB -0.336 37.740 38.000 0.128 0.000 1.054 457 I HN 0.070 nan 8.210 nan 0.000 0.407 458 D N 0.589 121.045 120.400 0.094 0.000 2.133 458 D HA -0.187 4.454 4.640 0.001 0.000 0.195 458 D C 2.346 178.679 176.300 0.055 0.000 0.997 458 D CA 1.941 55.997 54.000 0.093 0.000 0.840 458 D CB -0.330 40.572 40.800 0.171 0.000 0.947 458 D HN 0.362 nan 8.370 nan 0.000 0.452 459 S N -1.094 114.622 115.700 0.027 0.000 2.489 459 S HA 0.143 4.614 4.470 0.001 0.000 0.228 459 S C 1.810 176.411 174.600 0.002 0.000 0.995 459 S CA 1.087 59.289 58.200 0.004 0.000 0.934 459 S CB 0.198 63.383 63.200 -0.026 0.000 0.771 459 S HN 0.378 nan 8.310 nan 0.000 0.522 460 G N 0.475 109.278 108.800 0.005 0.000 2.175 460 G HA2 -0.292 3.669 3.960 0.001 0.000 0.244 460 G HA3 -0.292 3.669 3.960 0.001 0.000 0.244 460 G C 0.978 175.875 174.900 -0.004 0.000 0.982 460 G CA 0.707 45.803 45.100 -0.007 0.000 0.641 460 G HN 0.949 nan 8.290 nan 0.000 0.527 461 R N -0.068 120.436 120.500 0.007 0.000 2.073 461 R HA 0.256 4.596 4.340 0.001 0.000 0.234 461 R C 1.613 177.932 176.300 0.031 0.000 1.134 461 R CA 2.239 58.348 56.100 0.016 0.000 0.952 461 R CB -0.621 29.691 30.300 0.019 0.000 0.850 461 R HN 0.897 nan 8.270 nan 0.000 0.433 462 Q N 1.560 121.390 119.800 0.050 0.000 2.322 462 Q HA 0.255 4.596 4.340 0.001 0.000 0.256 462 Q C -2.487 173.538 176.000 0.041 0.000 0.960 462 Q CA -2.510 53.336 55.803 0.070 0.000 0.934 462 Q CB 1.531 30.337 28.738 0.113 0.000 1.200 462 Q HN 0.212 nan 8.270 nan 0.000 0.435 463 P HA 0.045 nan 4.420 nan 0.000 0.271 463 P C -1.248 176.051 177.300 -0.002 0.000 1.218 463 P CA -0.320 62.772 63.100 -0.013 0.000 0.780 463 P CB 0.620 32.302 31.700 -0.030 0.000 0.901 464 L N 4.500 125.709 121.223 -0.024 0.000 2.485 464 L HA 0.320 4.660 4.340 0.001 0.000 0.260 464 L C -0.842 176.013 176.870 -0.026 0.000 0.998 464 L CA -0.763 54.059 54.840 -0.030 0.000 0.883 464 L CB 0.363 42.391 42.059 -0.051 0.000 1.196 464 L HN 0.141 nan 8.230 nan 0.000 0.443 465 I N 5.243 125.815 120.570 0.004 0.000 2.662 465 I HA 0.281 4.452 4.170 0.001 0.000 0.285 465 I C 1.539 177.681 176.117 0.042 0.000 1.161 465 I CA 1.227 62.555 61.300 0.047 0.000 1.415 465 I CB -0.241 37.823 38.000 0.107 0.000 1.385 465 I HN 0.890 nan 8.210 nan 0.000 0.552 466 G N 4.450 113.283 108.800 0.055 0.000 2.213 466 G HA2 -0.221 3.739 3.960 0.001 0.000 0.236 466 G HA3 -0.221 3.739 3.960 0.001 0.000 0.236 466 G C 0.594 175.506 174.900 0.021 0.000 0.991 466 G CA 0.242 45.373 45.100 0.052 0.000 0.629 466 G HN 0.425 nan 8.290 nan 0.000 0.517 467 V N 0.982 120.893 119.914 -0.004 0.000 2.870 467 V HA 0.191 4.311 4.120 0.001 0.000 0.232 467 V C 1.749 177.834 176.094 -0.016 0.000 1.161 467 V CA 1.778 64.070 62.300 -0.012 0.000 1.204 467 V CB 0.010 31.813 31.823 -0.033 0.000 1.003 467 V HN 0.567 nan 8.190 nan 0.000 0.499 468 N N 0.296 118.975 118.700 -0.035 0.000 2.234 468 N HA 0.177 4.917 4.740 0.001 0.000 0.227 468 N C -0.242 175.212 175.510 -0.094 0.000 1.151 468 N CA -0.080 52.944 53.050 -0.042 0.000 0.865 468 N CB 0.490 38.960 38.487 -0.028 0.000 1.066 468 N HN 0.562 nan 8.380 nan 0.000 0.515 469 K N -0.126 120.191 120.400 -0.138 0.000 2.579 469 K HA 0.175 4.496 4.320 0.001 0.000 0.257 469 K C -1.379 175.039 176.600 -0.303 0.000 0.950 469 K CA -0.527 55.565 56.287 -0.324 0.000 0.862 469 K CB 0.458 32.705 32.500 -0.422 0.000 1.317 469 K HN -0.039 nan 8.250 nan 0.000 0.436 470 Y N 0.314 120.620 120.300 0.010 0.000 3.568 470 Y HA -0.254 4.296 4.550 0.001 0.000 0.220 470 Y C -0.069 175.839 175.900 0.012 0.000 1.319 470 Y CA 0.217 58.324 58.100 0.010 0.000 1.629 470 Y CB -1.866 36.600 38.460 0.009 0.000 1.515 470 Y HN 0.528 nan 8.280 nan 0.000 0.613 471 R N 0.577 121.140 120.500 0.105 0.000 2.694 471 R HA 0.407 4.748 4.340 0.001 0.000 0.268 471 R C 0.439 176.788 176.300 0.081 0.000 1.061 471 R CA -0.610 55.535 56.100 0.074 0.000 1.133 471 R CB 0.615 30.943 30.300 0.046 0.000 1.020 471 R HN 0.282 nan 8.270 nan 0.000 0.475 472 L N 2.925 124.187 121.223 0.065 0.000 2.350 472 L HA 0.065 4.405 4.340 0.001 0.000 0.275 472 L C 1.896 178.793 176.870 0.045 0.000 1.099 472 L CA -0.356 54.517 54.840 0.054 0.000 0.808 472 L CB 0.881 42.969 42.059 0.048 0.000 1.149 472 L HN 0.598 nan 8.230 nan 0.000 0.442 473 E N 1.348 121.572 120.200 0.040 0.000 2.005 473 E HA -0.155 4.196 4.350 0.001 0.000 0.198 473 E C 0.691 177.310 176.600 0.032 0.000 1.010 473 E CA 1.842 58.262 56.400 0.034 0.000 0.825 473 E CB -0.409 29.308 29.700 0.028 0.000 0.769 473 E HN 0.756 nan 8.360 nan 0.000 0.456 474 H N 1.088 120.176 119.070 0.028 0.000 2.495 474 H HA 0.400 4.957 4.556 0.001 0.000 0.348 474 H C -0.331 175.013 175.328 0.027 0.000 1.113 474 H CA -0.913 55.151 56.048 0.027 0.000 1.195 474 H CB 0.984 30.759 29.762 0.021 0.000 1.521 474 H HN -0.081 nan 8.280 nan 0.000 0.509 475 E N 3.089 123.306 120.200 0.028 0.000 2.259 475 E HA 0.250 4.601 4.350 0.001 0.000 0.281 475 E C -2.233 174.378 176.600 0.019 0.000 1.027 475 E CA -1.857 54.560 56.400 0.028 0.000 0.838 475 E CB 1.440 31.156 29.700 0.027 0.000 1.066 475 E HN 0.613 nan 8.360 nan 0.000 0.401 476 P HA 0.170 nan 4.420 nan 0.000 0.271 476 P C -2.373 174.936 177.300 0.016 0.000 1.216 476 P CA -0.998 62.115 63.100 0.022 0.000 0.771 476 P CB -0.433 31.288 31.700 0.035 0.000 0.864 477 P HA 0.060 nan 4.420 nan 0.000 0.264 477 P C -0.936 176.361 177.300 -0.005 0.000 1.183 477 P CA 0.159 63.249 63.100 -0.017 0.000 0.763 477 P CB 0.232 31.918 31.700 -0.025 0.000 0.807 478 L N 1.608 122.819 121.223 -0.021 0.000 2.409 478 L HA 0.485 4.825 4.340 0.001 0.000 0.272 478 L C -0.281 176.572 176.870 -0.028 0.000 0.980 478 L CA -0.148 54.685 54.840 -0.010 0.000 0.826 478 L CB 1.527 43.582 42.059 -0.006 0.000 1.268 478 L HN 0.474 nan 8.230 nan 0.000 0.407 479 D N 4.521 124.909 120.400 -0.019 0.000 2.325 479 D HA 0.545 5.186 4.640 0.001 0.000 0.251 479 D C -0.191 176.095 176.300 -0.022 0.000 1.196 479 D CA 0.349 54.333 54.000 -0.027 0.000 0.866 479 D CB 0.818 41.599 40.800 -0.030 0.000 1.101 479 D HN 0.760 nan 8.370 nan 0.000 0.476 480 V N -0.330 119.561 119.914 -0.037 0.000 2.914 480 V HA 0.783 4.904 4.120 0.001 0.000 0.314 480 V C -0.102 175.954 176.094 -0.064 0.000 1.084 480 V CA -1.298 60.974 62.300 -0.045 0.000 0.963 480 V CB 1.635 33.431 31.823 -0.045 0.000 1.025 480 V HN 0.656 nan 8.190 nan 0.000 0.432 481 L N 2.579 123.745 121.223 -0.094 0.000 2.410 481 L HA 0.514 4.855 4.340 0.001 0.000 0.273 481 L C 0.068 176.882 176.870 -0.093 0.000 1.144 481 L CA 0.379 55.136 54.840 -0.139 0.000 0.863 481 L CB 0.374 42.277 42.059 -0.261 0.000 1.140 481 L HN 1.009 nan 8.230 nan 0.000 0.463 482 K N 4.652 125.010 120.400 -0.071 0.000 2.323 482 K HA 0.601 4.921 4.320 0.001 0.000 0.259 482 K C -1.552 175.040 176.600 -0.013 0.000 0.947 482 K CA -0.768 55.500 56.287 -0.032 0.000 0.819 482 K CB 1.476 33.964 32.500 -0.020 0.000 1.109 482 K HN 0.509 nan 8.250 nan 0.000 0.429 483 V N 3.005 122.925 119.914 0.010 0.000 2.567 483 V HA 0.127 4.248 4.120 0.001 0.000 0.289 483 V C -0.181 175.926 176.094 0.021 0.000 1.049 483 V CA -0.588 61.738 62.300 0.043 0.000 0.969 483 V CB 1.431 33.295 31.823 0.068 0.000 0.995 483 V HN 0.826 nan 8.190 nan 0.000 0.471 484 D N 2.846 123.259 120.400 0.021 0.000 2.428 484 D HA 0.205 4.846 4.640 0.001 0.000 0.221 484 D C 0.845 177.148 176.300 0.005 0.000 1.123 484 D CA -0.327 53.676 54.000 0.007 0.000 0.869 484 D CB 0.678 41.482 40.800 0.006 0.000 1.032 484 D HN 0.560 nan 8.370 nan 0.000 0.506 485 N N 1.534 120.233 118.700 -0.002 0.000 2.120 485 N HA -0.229 4.511 4.740 0.001 0.000 0.188 485 N C 1.866 177.375 175.510 -0.002 0.000 1.024 485 N CA 1.276 54.327 53.050 0.000 0.000 0.852 485 N CB -0.239 38.246 38.487 -0.003 0.000 1.003 485 N HN 0.420 nan 8.380 nan 0.000 0.424 486 S N 0.536 116.233 115.700 -0.005 0.000 2.393 486 S HA -0.350 4.121 4.470 0.001 0.000 0.235 486 S C 2.133 176.732 174.600 -0.002 0.000 1.061 486 S CA 2.723 60.921 58.200 -0.004 0.000 1.129 486 S CB -1.404 61.793 63.200 -0.005 0.000 1.011 486 S HN 0.571 nan 8.310 nan 0.000 0.436 487 T N 0.196 114.749 114.554 -0.002 0.000 2.867 487 T HA -0.011 4.340 4.350 0.001 0.000 0.268 487 T C 1.784 176.482 174.700 -0.004 0.000 1.057 487 T CA 1.510 63.608 62.100 -0.003 0.000 1.136 487 T CB -0.775 68.091 68.868 -0.004 0.000 0.874 487 T HN 0.343 nan 8.240 nan 0.000 0.466 488 V N 1.443 121.355 119.914 -0.003 0.000 2.307 488 V HA -0.035 4.086 4.120 0.001 0.000 0.245 488 V C 2.670 178.764 176.094 0.000 0.000 1.045 488 V CA 1.337 63.633 62.300 -0.005 0.000 1.024 488 V CB -1.135 30.687 31.823 -0.002 0.000 0.651 488 V HN 0.350 nan 8.190 nan 0.000 0.449 489 L N 0.986 122.211 121.223 0.003 0.000 1.971 489 L HA -0.165 4.176 4.340 0.001 0.000 0.215 489 L C 2.585 179.458 176.870 0.005 0.000 1.072 489 L CA 2.539 57.382 54.840 0.005 0.000 0.758 489 L CB -1.387 40.673 42.059 0.002 0.000 0.889 489 L HN 0.287 nan 8.230 nan 0.000 0.433 490 A N -1.339 121.483 122.820 0.003 0.000 1.877 490 A HA -0.260 4.060 4.320 0.001 0.000 0.216 490 A C 2.322 179.909 177.584 0.005 0.000 1.186 490 A CA 1.788 53.827 52.037 0.004 0.000 0.620 490 A CB -0.705 18.296 19.000 0.001 0.000 0.822 490 A HN 0.580 nan 8.150 nan 0.000 0.443 491 E N -0.841 119.360 120.200 0.002 0.000 2.110 491 E HA -0.222 4.129 4.350 0.001 0.000 0.193 491 E C 2.070 178.679 176.600 0.014 0.000 0.988 491 E CA 1.178 57.580 56.400 0.003 0.000 0.804 491 E CB -0.043 29.652 29.700 -0.008 0.000 0.745 491 E HN 0.552 nan 8.360 nan 0.000 0.458 492 Q N 0.354 120.164 119.800 0.016 0.000 2.172 492 Q HA -0.088 4.252 4.340 0.001 0.000 0.200 492 Q C 1.920 177.939 176.000 0.031 0.000 0.964 492 Q CA 0.908 56.727 55.803 0.027 0.000 0.855 492 Q CB -0.057 28.695 28.738 0.022 0.000 0.918 492 Q HN 0.234 nan 8.270 nan 0.000 0.444 493 K N 0.641 121.055 120.400 0.023 0.000 2.002 493 K HA -0.067 4.254 4.320 0.001 0.000 0.209 493 K C 2.040 178.658 176.600 0.031 0.000 1.048 493 K CA 1.325 57.626 56.287 0.022 0.000 0.930 493 K CB -0.191 32.318 32.500 0.015 0.000 0.714 493 K HN 0.132 nan 8.250 nan 0.000 0.438 494 A N 1.611 124.450 122.820 0.032 0.000 2.070 494 A HA -0.170 4.150 4.320 0.001 0.000 0.220 494 A C 1.759 179.386 177.584 0.072 0.000 1.159 494 A CA 1.364 53.425 52.037 0.040 0.000 0.656 494 A CB -0.247 18.768 19.000 0.026 0.000 0.800 494 A HN 0.205 nan 8.150 nan 0.000 0.453 495 K N -0.504 119.953 120.400 0.096 0.000 2.057 495 K HA 0.005 4.325 4.320 0.001 0.000 0.206 495 K C 1.808 178.523 176.600 0.192 0.000 1.050 495 K CA 1.168 57.573 56.287 0.196 0.000 0.935 495 K CB -0.332 32.288 32.500 0.201 0.000 0.715 495 K HN 0.455 nan 8.250 nan 0.000 0.439 496 L N 0.629 121.899 121.223 0.078 0.000 2.005 496 L HA -0.193 4.148 4.340 0.001 0.000 0.207 496 L C 2.414 179.297 176.870 0.022 0.000 1.072 496 L CA 0.918 55.766 54.840 0.014 0.000 0.744 496 L CB -0.510 41.553 42.059 0.007 0.000 0.895 496 L HN -0.041 nan 8.230 nan 0.000 0.433 497 V N 0.152 120.090 119.914 0.039 0.000 2.214 497 V HA -0.399 3.721 4.120 0.001 0.000 0.247 497 V C 2.562 178.689 176.094 0.056 0.000 1.051 497 V CA 2.299 64.620 62.300 0.035 0.000 1.003 497 V CB -0.564 31.277 31.823 0.032 0.000 0.635 497 V HN 0.450 nan 8.190 nan 0.000 0.447 498 K N -0.556 119.902 120.400 0.096 0.000 2.032 498 K HA -0.302 4.018 4.320 0.001 0.000 0.218 498 K C 2.166 178.878 176.600 0.187 0.000 1.054 498 K CA 2.480 58.857 56.287 0.150 0.000 0.941 498 K CB -0.494 32.128 32.500 0.204 0.000 0.720 498 K HN 0.283 nan 8.250 nan 0.000 0.449 499 L N 1.541 122.861 121.223 0.161 0.000 1.997 499 L HA -0.254 4.087 4.340 0.001 0.000 0.216 499 L C 2.383 179.204 176.870 -0.081 0.000 1.074 499 L CA 1.871 56.620 54.840 -0.152 0.000 0.763 499 L CB -0.374 41.435 42.059 -0.417 0.000 0.890 499 L HN 0.196 nan 8.230 nan 0.000 0.434 500 R N -0.994 119.480 120.500 -0.043 0.000 2.096 500 R HA -0.127 4.214 4.340 0.001 0.000 0.235 500 R C 2.231 178.529 176.300 -0.003 0.000 1.127 500 R CA 1.201 57.284 56.100 -0.028 0.000 0.968 500 R CB -0.619 29.668 30.300 -0.021 0.000 0.861 500 R HN 0.570 nan 8.270 nan 0.000 0.440 501 A N 1.288 124.119 122.820 0.019 0.000 1.858 501 A HA -0.234 4.086 4.320 0.001 0.000 0.216 501 A C 2.339 179.941 177.584 0.030 0.000 1.190 501 A CA 2.213 54.265 52.037 0.025 0.000 0.617 501 A CB -0.943 18.078 19.000 0.036 0.000 0.827 501 A HN 0.495 nan 8.150 nan 0.000 0.443 502 E N 0.643 120.875 120.200 0.054 0.000 2.208 502 E HA -0.077 4.274 4.350 0.001 0.000 0.193 502 E C 1.389 178.008 176.600 0.033 0.000 0.988 502 E CA 0.899 57.334 56.400 0.057 0.000 0.828 502 E CB -0.755 29.013 29.700 0.112 0.000 0.763 502 E HN 0.906 nan 8.360 nan 0.000 0.478 503 R N 0.422 120.926 120.500 0.007 0.000 2.707 503 R HA 0.236 4.577 4.340 0.001 0.000 0.270 503 R C -0.458 175.837 176.300 -0.008 0.000 1.083 503 R CA -0.149 55.945 56.100 -0.010 0.000 1.182 503 R CB 0.495 30.770 30.300 -0.043 0.000 1.084 503 R HN 0.109 nan 8.270 nan 0.000 0.528 504 D N 1.592 121.986 120.400 -0.010 0.000 2.347 504 D HA 0.140 4.780 4.640 0.001 0.000 0.235 504 D C -1.599 174.692 176.300 -0.016 0.000 1.149 504 D CA -2.436 51.558 54.000 -0.010 0.000 0.850 504 D CB 1.525 42.319 40.800 -0.010 0.000 1.061 504 D HN 0.338 nan 8.370 nan 0.000 0.487 505 P HA -0.081 nan 4.420 nan 0.000 0.225 505 P C 0.982 178.272 177.300 -0.017 0.000 1.148 505 P CA 1.059 64.149 63.100 -0.017 0.000 0.779 505 P CB 0.295 31.986 31.700 -0.014 0.000 0.780 506 E N 1.357 121.547 120.200 -0.017 0.000 2.033 506 E HA -0.153 4.197 4.350 0.001 0.000 0.189 506 E C 1.903 178.491 176.600 -0.021 0.000 0.979 506 E CA 1.256 57.645 56.400 -0.018 0.000 0.802 506 E CB -1.194 nan 29.700 nan 0.000 0.763 506 E HN 0.309 nan 8.360 nan 0.000 0.449 507 K N 0.169 120.557 120.400 -0.020 0.000 2.044 507 K HA -0.116 4.205 4.320 0.001 0.000 0.210 507 K C 2.354 178.940 176.600 -0.023 0.000 1.049 507 K CA 1.509 57.783 56.287 -0.021 0.000 0.927 507 K CB -0.557 31.931 32.500 -0.019 0.000 0.713 507 K HN 0.233 nan 8.250 nan 0.000 0.443 508 V N 1.827 121.727 119.914 -0.025 0.000 2.231 508 V HA -0.321 3.799 4.120 0.001 0.000 0.248 508 V C 2.381 178.460 176.094 -0.025 0.000 1.054 508 V CA 1.913 64.197 62.300 -0.028 0.000 1.015 508 V CB -0.441 31.363 31.823 -0.031 0.000 0.638 508 V HN 0.344 nan 8.190 nan 0.000 0.444 509 K N -0.418 119.968 120.400 -0.022 0.000 2.063 509 K HA -0.206 4.114 4.320 0.001 0.000 0.208 509 K C 2.215 178.804 176.600 -0.020 0.000 1.048 509 K CA 1.474 57.749 56.287 -0.020 0.000 0.928 509 K CB -0.371 32.117 32.500 -0.019 0.000 0.713 509 K HN 0.464 nan 8.250 nan 0.000 0.442 510 A N 1.233 124.039 122.820 -0.023 0.000 1.842 510 A HA -0.221 4.099 4.320 0.001 0.000 0.217 510 A C 2.350 179.924 177.584 -0.017 0.000 1.206 510 A CA 2.361 54.381 52.037 -0.027 0.000 0.630 510 A CB -1.283 17.698 19.000 -0.032 0.000 0.839 510 A HN 0.463 nan 8.150 nan 0.000 0.447 511 A N -0.380 122.430 122.820 -0.016 0.000 1.884 511 A HA -0.198 4.123 4.320 0.001 0.000 0.219 511 A C 2.241 179.820 177.584 -0.008 0.000 1.197 511 A CA 2.002 54.032 52.037 -0.011 0.000 0.637 511 A CB -0.946 18.043 19.000 -0.019 0.000 0.827 511 A HN 0.541 nan 8.150 nan 0.000 0.450 512 L N -0.791 120.423 121.223 -0.016 0.000 1.970 512 L HA -0.235 4.105 4.340 0.001 0.000 0.212 512 L C 2.351 179.216 176.870 -0.007 0.000 1.071 512 L CA 1.704 56.533 54.840 -0.018 0.000 0.751 512 L CB -1.015 41.030 42.059 -0.023 0.000 0.889 512 L HN 0.289 nan 8.230 nan 0.000 0.432 513 D N 0.210 120.611 120.400 0.001 0.000 2.157 513 D HA -0.255 4.385 4.640 0.001 0.000 0.191 513 D C 2.107 178.455 176.300 0.080 0.000 1.004 513 D CA 1.487 55.501 54.000 0.023 0.000 0.854 513 D CB -0.173 40.630 40.800 0.005 0.000 0.936 513 D HN 0.254 nan 8.370 nan 0.000 0.446 514 K N 0.151 120.601 120.400 0.083 0.000 2.057 514 K HA -0.108 4.212 4.320 0.001 0.000 0.207 514 K C 2.288 179.009 176.600 0.201 0.000 1.049 514 K CA 0.737 57.133 56.287 0.181 0.000 0.931 514 K CB -0.155 32.399 32.500 0.090 0.000 0.714 514 K HN 0.103 nan 8.250 nan 0.000 0.440 515 I N 0.761 121.372 120.570 0.067 0.000 2.142 515 I HA -0.296 3.874 4.170 0.001 0.000 0.240 515 I C 2.155 178.239 176.117 -0.055 0.000 1.078 515 I CA 1.686 62.982 61.300 -0.006 0.000 1.343 515 I CB -0.464 37.511 38.000 -0.042 0.000 1.046 515 I HN 0.236 nan 8.210 nan 0.000 0.405 516 T N -0.235 114.287 114.554 -0.053 0.000 2.720 516 T HA -0.279 4.071 4.350 0.001 0.000 0.268 516 T C 1.338 175.987 174.700 -0.085 0.000 1.037 516 T CA 1.710 63.744 62.100 -0.110 0.000 1.144 516 T CB -0.606 68.217 68.868 -0.075 0.000 0.864 516 T HN 0.557 nan 8.240 nan 0.000 0.444 517 W N 2.436 123.672 121.300 -0.106 0.000 2.315 517 W HA -0.175 4.486 4.660 0.001 0.000 0.323 517 W C 2.635 179.109 176.519 -0.076 0.000 1.233 517 W CA 1.553 58.851 57.345 -0.078 0.000 1.267 517 W CB -0.910 28.516 29.460 -0.057 0.000 1.160 517 W HN 0.239 nan 8.180 nan 0.000 0.474 518 A N 0.823 123.322 122.820 -0.535 0.000 1.908 518 A HA -0.083 4.238 4.320 0.001 0.000 0.218 518 A C 2.156 179.476 177.584 -0.439 0.000 1.181 518 A CA 3.006 54.646 52.037 -0.662 0.000 0.627 518 A CB -1.662 17.194 19.000 -0.240 0.000 0.818 518 A HN 0.592 nan 8.150 nan 0.000 0.445 519 A N -0.572 122.044 122.820 -0.339 0.000 1.883 519 A HA 0.061 4.382 4.320 0.001 0.000 0.217 519 A C 2.413 179.820 177.584 -0.296 0.000 1.186 519 A CA 2.069 53.884 52.037 -0.371 0.000 0.624 519 A CB -1.388 17.174 19.000 -0.730 0.000 0.822 519 A HN 0.795 nan 8.150 nan 0.000 0.444 520 G N -0.812 107.797 108.800 -0.317 0.000 2.448 520 G HA2 -0.079 3.882 3.960 0.001 0.000 0.218 520 G HA3 -0.079 3.882 3.960 0.001 0.000 0.218 520 G C 0.596 175.343 174.900 -0.255 0.000 1.135 520 G CA 0.721 45.680 45.100 -0.234 0.000 0.784 520 G HN 0.633 nan 8.290 nan 0.000 0.543 521 N N 1.321 119.755 118.700 -0.444 0.000 2.918 521 N HA 0.289 5.030 4.740 0.001 0.000 0.270 521 N C -2.903 172.360 175.510 -0.411 0.000 1.536 521 N CA -1.134 51.648 53.050 -0.447 0.000 0.877 521 N CB 1.974 40.019 38.487 -0.736 0.000 1.190 521 N HN 0.108 nan 8.380 nan 0.000 0.492 522 P HA 0.046 nan 4.420 nan 0.000 0.267 522 P C -0.836 176.389 177.300 -0.126 0.000 1.205 522 P CA 0.394 63.392 63.100 -0.169 0.000 0.765 522 P CB 0.986 32.629 31.700 -0.095 0.000 0.828 523 D N 1.808 122.147 120.400 -0.102 0.000 2.336 523 D HA 0.097 4.737 4.640 0.001 0.000 0.248 523 D C 0.366 176.650 176.300 -0.027 0.000 1.326 523 D CA -0.404 53.565 54.000 -0.051 0.000 0.973 523 D CB 0.359 41.144 40.800 -0.026 0.000 1.255 523 D HN 0.184 nan 8.370 nan 0.000 0.558 524 D N 0.760 121.147 120.400 -0.022 0.000 2.378 524 D HA -0.110 4.531 4.640 0.001 0.000 0.222 524 D C 0.984 177.286 176.300 0.002 0.000 0.980 524 D CA 0.436 54.429 54.000 -0.011 0.000 0.907 524 D CB 0.136 40.927 40.800 -0.015 0.000 0.899 524 D HN 0.061 nan 8.370 nan 0.000 0.527 525 K N -0.616 119.788 120.400 0.008 0.000 2.444 525 K HA 0.078 4.398 4.320 0.001 0.000 0.193 525 K C 0.116 176.729 176.600 0.022 0.000 1.024 525 K CA 0.450 56.746 56.287 0.015 0.000 1.077 525 K CB -0.264 32.245 32.500 0.016 0.000 0.833 525 K HN 0.414 nan 8.250 nan 0.000 0.517 526 D N 0.194 120.609 120.400 0.026 0.000 2.453 526 D HA 0.295 4.936 4.640 0.001 0.000 0.238 526 D C -2.107 174.221 176.300 0.046 0.000 1.088 526 D CA -2.582 51.443 54.000 0.041 0.000 0.854 526 D CB 1.814 42.649 40.800 0.058 0.000 1.076 526 D HN -0.141 nan 8.370 nan 0.000 0.533 527 P HA -0.072 nan 4.420 nan 0.000 0.219 527 P C 0.491 177.838 177.300 0.078 0.000 1.146 527 P CA 0.780 63.913 63.100 0.054 0.000 0.808 527 P CB 0.347 32.066 31.700 0.032 0.000 0.779 528 D N -0.999 119.450 120.400 0.082 0.000 2.312 528 D HA -0.099 4.541 4.640 0.001 0.000 0.211 528 D C 1.713 178.092 176.300 0.132 0.000 0.964 528 D CA 0.652 54.711 54.000 0.099 0.000 0.877 528 D CB -0.082 40.772 40.800 0.091 0.000 0.924 528 D HN 0.242 nan 8.370 nan 0.000 0.515 529 R N 1.162 121.740 120.500 0.130 0.000 2.393 529 R HA 0.016 4.357 4.340 0.001 0.000 0.244 529 R C 0.399 176.724 176.300 0.042 0.000 0.920 529 R CA -0.294 55.878 56.100 0.119 0.000 1.076 529 R CB 0.058 30.414 30.300 0.093 0.000 1.119 529 R HN -0.022 nan 8.270 nan 0.000 0.524 530 N N 1.460 120.197 118.700 0.061 0.000 2.454 530 N HA -0.081 4.659 4.740 0.001 0.000 0.260 530 N C 1.122 176.643 175.510 0.018 0.000 1.218 530 N CA 0.107 53.188 53.050 0.051 0.000 0.904 530 N CB 0.811 39.373 38.487 0.125 0.000 1.065 530 N HN 0.189 nan 8.380 nan 0.000 0.462 531 L N 3.197 124.413 121.223 -0.012 0.000 2.042 531 L HA -0.218 4.123 4.340 0.001 0.000 0.210 531 L C 2.302 179.131 176.870 -0.069 0.000 1.076 531 L CA 0.850 55.671 54.840 -0.032 0.000 0.749 531 L CB -0.391 41.659 42.059 -0.016 0.000 0.893 531 L HN 0.570 nan 8.230 nan 0.000 0.432 532 L N 0.032 121.183 121.223 -0.120 0.000 2.056 532 L HA -0.191 4.149 4.340 0.001 0.000 0.207 532 L C 2.538 179.228 176.870 -0.301 0.000 1.078 532 L CA 1.776 56.461 54.840 -0.259 0.000 0.749 532 L CB -0.744 41.068 42.059 -0.411 0.000 0.901 532 L HN 0.131 nan 8.230 nan 0.000 0.433 533 K N -0.208 120.074 120.400 -0.197 0.000 1.991 533 K HA -0.185 4.135 4.320 0.001 0.000 0.212 533 K C 2.105 178.686 176.600 -0.032 0.000 1.049 533 K CA 2.248 58.509 56.287 -0.043 0.000 0.932 533 K CB -0.419 32.172 32.500 0.152 0.000 0.717 533 K HN 0.438 nan 8.250 nan 0.000 0.441 534 L N 0.674 121.892 121.223 -0.008 0.000 2.042 534 L HA -0.272 4.069 4.340 0.001 0.000 0.210 534 L C 2.900 179.749 176.870 -0.035 0.000 1.076 534 L CA 1.315 56.155 54.840 -0.001 0.000 0.749 534 L CB -0.819 41.257 42.059 0.029 0.000 0.893 534 L HN 0.271 nan 8.230 nan 0.000 0.432 535 C N 0.170 119.431 119.300 -0.065 0.000 2.413 535 C HA -0.167 4.294 4.460 0.001 0.000 0.277 535 C C 2.808 177.749 174.990 -0.083 0.000 1.265 535 C CA 0.688 59.662 59.018 -0.074 0.000 1.752 535 C CB -0.770 26.918 27.740 -0.088 0.000 1.998 535 C HN 0.435 nan 8.230 nan 0.000 0.489 536 I N 1.008 121.512 120.570 -0.110 0.000 2.179 536 I HA -0.207 3.963 4.170 0.001 0.000 0.242 536 I C 2.212 178.297 176.117 -0.052 0.000 1.088 536 I CA 1.662 62.906 61.300 -0.093 0.000 1.357 536 I CB -0.669 37.264 38.000 -0.113 0.000 1.051 536 I HN 0.369 nan 8.210 nan 0.000 0.409 537 D N 1.328 121.708 120.400 -0.034 0.000 2.097 537 D HA -0.173 4.468 4.640 0.001 0.000 0.195 537 D C 2.271 178.556 176.300 -0.025 0.000 0.989 537 D CA 1.673 55.662 54.000 -0.020 0.000 0.827 537 D CB -0.307 40.489 40.800 -0.006 0.000 0.966 537 D HN 0.372 nan 8.370 nan 0.000 0.456 538 A N 1.358 124.160 122.820 -0.029 0.000 1.865 538 A HA -0.112 4.209 4.320 0.001 0.000 0.217 538 A C 2.456 180.016 177.584 -0.039 0.000 1.191 538 A CA 2.497 54.515 52.037 -0.032 0.000 0.623 538 A CB -1.333 17.646 19.000 -0.035 0.000 0.826 538 A HN 0.311 nan 8.150 nan 0.000 0.444 539 G N -0.750 108.023 108.800 -0.044 0.000 2.491 539 G HA2 -0.330 3.630 3.960 0.001 0.000 0.218 539 G HA3 -0.330 3.630 3.960 0.001 0.000 0.218 539 G C 1.748 176.626 174.900 -0.037 0.000 1.180 539 G CA 1.249 46.323 45.100 -0.044 0.000 0.774 539 G HN 0.578 nan 8.290 nan 0.000 0.562 540 R N 0.601 121.082 120.500 -0.032 0.000 2.096 540 R HA -0.064 4.277 4.340 0.001 0.000 0.240 540 R C 2.668 178.956 176.300 -0.020 0.000 1.139 540 R CA 1.485 57.572 56.100 -0.022 0.000 0.952 540 R CB -0.425 29.863 30.300 -0.019 0.000 0.854 540 R HN 0.314 nan 8.270 nan 0.000 0.436 541 A N 0.048 122.853 122.820 -0.025 0.000 2.239 541 A HA 0.029 4.349 4.320 0.001 0.000 0.209 541 A C 0.926 178.486 177.584 -0.040 0.000 1.171 541 A CA 0.930 52.951 52.037 -0.027 0.000 0.768 541 A CB -0.263 18.721 19.000 -0.027 0.000 0.790 541 A HN 0.624 nan 8.150 nan 0.000 0.478 542 M N -3.472 116.094 119.600 -0.057 0.000 3.005 542 M HA -0.181 4.299 4.480 0.001 0.000 0.219 542 M C 0.496 176.732 176.300 -0.106 0.000 0.552 542 M CA 0.273 55.514 55.300 -0.099 0.000 0.818 542 M CB -2.259 30.273 32.600 -0.113 0.000 2.929 542 M HN 0.604 nan 8.290 nan 0.000 0.384 543 A N 0.767 123.542 122.820 -0.075 0.000 2.366 543 A HA 0.631 4.951 4.320 0.001 0.000 0.249 543 A C 0.842 178.381 177.584 -0.075 0.000 1.084 543 A CA 0.552 52.548 52.037 -0.067 0.000 0.794 543 A CB 0.362 19.332 19.000 -0.050 0.000 1.034 543 A HN 0.504 nan 8.150 nan 0.000 0.491 544 T N -1.510 113.004 114.554 -0.066 0.000 2.881 544 T HA 0.397 4.748 4.350 0.001 0.000 0.278 544 T C 1.113 175.785 174.700 -0.048 0.000 0.982 544 T CA -0.089 61.975 62.100 -0.060 0.000 0.989 544 T CB 0.840 69.678 68.868 -0.050 0.000 1.058 544 T HN 0.424 nan 8.240 nan 0.000 0.529 545 V N 1.956 121.843 119.914 -0.046 0.000 2.295 545 V HA 0.004 4.125 4.120 0.001 0.000 0.246 545 V C 2.914 178.976 176.094 -0.054 0.000 1.049 545 V CA 2.380 64.647 62.300 -0.055 0.000 1.024 545 V CB -1.572 30.208 31.823 -0.071 0.000 0.648 545 V HN 1.102 nan 8.190 nan 0.000 0.447 546 G N -0.534 108.241 108.800 -0.042 0.000 2.421 546 G HA2 -0.226 3.735 3.960 0.001 0.000 0.216 546 G HA3 -0.226 3.735 3.960 0.001 0.000 0.216 546 G C 1.420 176.304 174.900 -0.026 0.000 1.171 546 G CA 0.931 46.008 45.100 -0.039 0.000 0.775 546 G HN 0.569 nan 8.290 nan 0.000 0.543 547 E N 0.135 120.322 120.200 -0.022 0.000 2.033 547 E HA -0.174 4.176 4.350 0.001 0.000 0.199 547 E C 2.674 179.260 176.600 -0.023 0.000 1.011 547 E CA 1.479 57.866 56.400 -0.021 0.000 0.815 547 E CB -0.269 29.414 29.700 -0.027 0.000 0.755 547 E HN 0.398 nan 8.360 nan 0.000 0.451 548 M N 0.667 120.251 119.600 -0.028 0.000 2.082 548 M HA -0.207 4.274 4.480 0.001 0.000 0.258 548 M C 2.482 178.782 176.300 -0.000 0.000 1.069 548 M CA 1.420 56.705 55.300 -0.025 0.000 1.102 548 M CB -0.486 32.095 32.600 -0.031 0.000 1.336 548 M HN 0.017 nan 8.290 nan 0.000 0.404 549 S N 0.369 116.079 115.700 0.017 0.000 2.368 549 S HA -0.136 4.335 4.470 0.001 0.000 0.225 549 S C 1.407 176.068 174.600 0.101 0.000 1.030 549 S CA 1.341 59.597 58.200 0.093 0.000 0.999 549 S CB -0.429 62.758 63.200 -0.022 0.000 0.844 549 S HN 0.406 nan 8.310 nan 0.000 0.459 550 D N 1.986 122.400 120.400 0.023 0.000 2.097 550 D HA -0.004 4.637 4.640 0.001 0.000 0.195 550 D C 2.185 178.482 176.300 -0.005 0.000 0.989 550 D CA 1.323 55.334 54.000 0.017 0.000 0.827 550 D CB -0.603 40.199 40.800 0.004 0.000 0.966 550 D HN 0.367 nan 8.370 nan 0.000 0.456 551 A N 0.227 123.025 122.820 -0.036 0.000 2.032 551 A HA -0.153 4.168 4.320 0.001 0.000 0.221 551 A C 2.277 179.754 177.584 -0.179 0.000 1.165 551 A CA 1.105 53.093 52.037 -0.081 0.000 0.645 551 A CB -0.626 18.334 19.000 -0.067 0.000 0.807 551 A HN 0.265 nan 8.150 nan 0.000 0.453 552 L N -1.647 119.445 121.223 -0.219 0.000 2.307 552 L HA 0.010 4.351 4.340 0.001 0.000 0.211 552 L C 2.435 178.997 176.870 -0.514 0.000 1.099 552 L CA 0.979 55.505 54.840 -0.522 0.000 0.816 552 L CB -0.281 41.537 42.059 -0.401 0.000 0.952 552 L HN 0.516 nan 8.230 nan 0.000 0.455 553 E N 1.024 121.169 120.200 -0.092 0.000 2.150 553 E HA -0.204 4.147 4.350 0.001 0.000 0.193 553 E C 1.875 178.466 176.600 -0.016 0.000 0.985 553 E CA 0.895 57.350 56.400 0.092 0.000 0.814 553 E CB 0.247 30.074 29.700 0.213 0.000 0.752 553 E HN 0.409 nan 8.360 nan 0.000 0.466 554 K N 0.094 120.441 120.400 -0.089 0.000 2.020 554 K HA -0.152 4.169 4.320 0.001 0.000 0.212 554 K C 2.161 178.684 176.600 -0.127 0.000 1.050 554 K CA 1.733 57.969 56.287 -0.085 0.000 0.929 554 K CB -0.193 32.253 32.500 -0.090 0.000 0.714 554 K HN 0.110 nan 8.250 nan 0.000 0.443 555 V N 0.436 120.180 119.914 -0.283 0.000 2.725 555 V HA -0.091 4.029 4.120 0.001 0.000 0.247 555 V C 1.709 177.748 176.094 -0.091 0.000 1.058 555 V CA 1.205 63.356 62.300 -0.249 0.000 1.080 555 V CB -0.413 31.167 31.823 -0.406 0.000 0.713 555 V HN 0.112 nan 8.190 nan 0.000 0.465 556 F N 0.595 120.487 119.950 -0.096 0.000 2.582 556 F HA 0.592 5.119 4.527 0.001 0.000 0.290 556 F C 1.601 177.431 175.800 0.050 0.000 1.115 556 F CA 0.110 58.072 58.000 -0.064 0.000 1.445 556 F CB -0.936 37.932 39.000 -0.221 0.000 1.126 556 F HN 0.252 nan 8.300 nan 0.000 0.574 557 G N 1.013 109.969 108.800 0.259 0.000 2.725 557 G HA2 -0.208 3.752 3.960 0.001 0.000 0.220 557 G HA3 -0.208 3.752 3.960 0.001 0.000 0.220 557 G C -0.401 174.686 174.900 0.312 0.000 1.357 557 G CA -0.907 44.330 45.100 0.228 0.000 0.866 557 G HN 0.276 nan 8.290 nan 0.000 0.548 558 R N -0.924 119.717 120.500 0.235 0.000 2.599 558 R HA 0.514 4.854 4.340 0.001 0.000 0.295 558 R C -0.680 175.774 176.300 0.257 0.000 0.963 558 R CA -0.753 55.486 56.100 0.232 0.000 0.883 558 R CB 1.918 32.309 30.300 0.151 0.000 1.171 558 R HN 0.610 nan 8.270 nan 0.000 0.450 559 Y N 0.953 121.350 120.300 0.162 0.000 2.301 559 Y HA 0.255 4.805 4.550 0.001 0.000 0.328 559 Y C -0.480 175.516 175.900 0.160 0.000 1.242 559 Y CA 0.415 58.579 58.100 0.106 0.000 1.323 559 Y CB 1.503 39.989 38.460 0.044 0.000 1.266 559 Y HN 0.425 nan 8.280 nan 0.000 0.527 560 T N 4.757 119.009 114.554 -0.503 0.000 2.879 560 T HA 0.697 5.048 4.350 0.001 0.000 0.290 560 T C -0.804 173.484 174.700 -0.686 0.000 0.993 560 T CA -0.582 61.336 62.100 -0.303 0.000 0.975 560 T CB 1.068 69.845 68.868 -0.152 0.000 0.981 560 T HN 0.847 nan 8.240 nan 0.000 0.439 561 A N 2.514 125.183 122.820 -0.252 0.000 2.286 561 A HA 0.637 4.957 4.320 0.001 0.000 0.286 561 A C 0.159 177.682 177.584 -0.102 0.000 1.097 561 A CA -0.656 51.279 52.037 -0.170 0.000 0.821 561 A CB 0.578 19.673 19.000 0.158 0.000 1.076 561 A HN 0.785 nan 8.150 nan 0.000 0.490 562 Q N 1.443 121.208 119.800 -0.057 0.000 2.274 562 Q HA 0.406 4.747 4.340 0.001 0.000 0.256 562 Q C -0.994 175.002 176.000 -0.006 0.000 0.927 562 Q CA -0.658 55.122 55.803 -0.037 0.000 0.939 562 Q CB 0.516 29.234 28.738 -0.034 0.000 1.201 562 Q HN 0.577 nan 8.270 nan 0.000 0.426 563 I N 4.148 124.712 120.570 -0.010 0.000 2.441 563 I HA 0.314 4.484 4.170 0.001 0.000 0.287 563 I C 0.321 176.435 176.117 -0.005 0.000 1.049 563 I CA 0.208 61.505 61.300 -0.006 0.000 1.381 563 I CB 0.682 38.673 38.000 -0.015 0.000 1.409 563 I HN 0.684 nan 8.210 nan 0.000 0.523 564 R N 3.703 124.203 120.500 -0.001 0.000 2.628 564 R HA 0.634 4.974 4.340 0.001 0.000 0.288 564 R C -1.016 175.282 176.300 -0.003 0.000 0.980 564 R CA -0.657 55.443 56.100 -0.001 0.000 0.891 564 R CB 2.433 32.734 30.300 0.001 0.000 1.188 564 R HN 0.576 nan 8.270 nan 0.000 0.450 565 T N 3.743 118.295 114.554 -0.003 0.000 2.890 565 T HA 0.300 4.650 4.350 0.001 0.000 0.295 565 T C 0.531 175.232 174.700 0.003 0.000 0.993 565 T CA -0.742 61.356 62.100 -0.004 0.000 0.979 565 T CB 0.859 69.722 68.868 -0.008 0.000 0.967 565 T HN 0.569 nan 8.240 nan 0.000 0.441 566 I N 1.385 121.958 120.570 0.004 0.000 3.161 566 I HA 0.550 4.720 4.170 0.001 0.000 0.284 566 I C 0.222 176.351 176.117 0.020 0.000 1.252 566 I CA -0.077 61.230 61.300 0.012 0.000 1.374 566 I CB 0.588 38.596 38.000 0.014 0.000 1.359 566 I HN 0.678 nan 8.210 nan 0.000 0.606 567 S N 2.244 117.961 115.700 0.028 0.000 2.541 567 S HA 0.640 5.111 4.470 0.001 0.000 0.271 567 S C 0.123 174.750 174.600 0.045 0.000 1.133 567 S CA -0.144 58.079 58.200 0.038 0.000 0.876 567 S CB 1.272 64.492 63.200 0.034 0.000 1.105 567 S HN 2.107 nan 8.310 nan 0.000 0.470 568 G N 0.867 109.704 108.800 0.062 0.000 2.295 568 G HA2 -0.185 3.775 3.960 0.001 0.000 0.287 568 G HA3 -0.185 3.775 3.960 0.001 0.000 0.287 568 G C 0.380 175.317 174.900 0.062 0.000 1.055 568 G CA 0.403 45.541 45.100 0.064 0.000 0.922 568 G HN 1.162 nan 8.290 nan 0.000 0.503 569 V N -1.122 118.843 119.914 0.083 0.000 2.743 569 V HA 0.096 4.216 4.120 0.001 0.000 0.237 569 V C 2.001 178.147 176.094 0.086 0.000 1.113 569 V CA 1.690 64.030 62.300 0.066 0.000 1.141 569 V CB -0.833 31.026 31.823 0.060 0.000 0.873 569 V HN 0.488 nan 8.190 nan 0.000 0.486 570 Y N 2.425 122.733 120.300 0.013 0.000 1.993 570 Y HA -0.368 4.182 4.550 0.001 0.000 0.267 570 Y C 2.964 178.877 175.900 0.022 0.000 1.155 570 Y CA 2.803 60.915 58.100 0.019 0.000 1.105 570 Y CB -0.584 37.891 38.460 0.024 0.000 0.960 570 Y HN 0.359 nan 8.280 nan 0.000 0.486 571 S N -0.481 115.271 115.700 0.087 0.000 2.359 571 S HA -0.253 4.218 4.470 0.001 0.000 0.224 571 S C 2.098 176.669 174.600 -0.048 0.000 1.035 571 S CA 1.679 59.883 58.200 0.006 0.000 1.018 571 S CB -0.883 62.378 63.200 0.102 0.000 0.876 571 S HN 0.343 nan 8.310 nan 0.000 0.448 572 K N 0.950 121.340 120.400 -0.017 0.000 2.020 572 K HA -0.122 4.199 4.320 0.001 0.000 0.212 572 K C 2.204 178.771 176.600 -0.054 0.000 1.050 572 K CA 1.738 58.011 56.287 -0.024 0.000 0.929 572 K CB -1.104 31.391 32.500 -0.009 0.000 0.714 572 K HN 0.739 nan 8.250 nan 0.000 0.443 573 E N 0.058 120.211 120.200 -0.079 0.000 2.037 573 E HA -0.147 4.203 4.350 0.001 0.000 0.214 573 E C 0.156 176.690 176.600 -0.109 0.000 1.041 573 E CA 1.881 58.226 56.400 -0.092 0.000 0.872 573 E CB -0.083 29.551 29.700 -0.110 0.000 0.785 573 E HN 0.182 nan 8.360 nan 0.000 0.476 574 V N 0.706 120.518 119.914 -0.169 0.000 2.305 574 V HA 0.514 4.634 4.120 0.001 0.000 0.275 574 V C 0.159 176.190 176.094 -0.106 0.000 1.020 574 V CA -0.013 62.221 62.300 -0.110 0.000 0.811 574 V CB 0.411 32.178 31.823 -0.092 0.000 1.031 574 V HN 0.366 nan 8.190 nan 0.000 0.439 575 K N 2.811 123.171 120.400 -0.066 0.000 2.090 575 K HA 0.487 4.808 4.320 0.001 0.000 0.250 575 K C 0.897 177.480 176.600 -0.028 0.000 1.004 575 K CA 0.025 56.285 56.287 -0.045 0.000 0.919 575 K CB 0.128 32.611 32.500 -0.029 0.000 1.045 575 K HN 1.205 nan 8.250 nan 0.000 0.471 576 N N -0.734 117.956 118.700 -0.016 0.000 2.776 576 N HA -0.152 4.589 4.740 0.001 0.000 0.249 576 N C -0.586 174.920 175.510 -0.006 0.000 1.111 576 N CA 0.810 53.855 53.050 -0.008 0.000 0.711 576 N CB -2.121 36.362 38.487 -0.006 0.000 1.065 576 N HN 0.539 nan 8.380 nan 0.000 0.556 577 T N 1.337 115.887 114.554 -0.006 0.000 2.909 577 T HA 0.317 4.668 4.350 0.001 0.000 0.289 577 T C -0.951 173.754 174.700 0.009 0.000 1.005 577 T CA -1.048 61.052 62.100 0.000 0.000 1.084 577 T CB 1.757 70.624 68.868 -0.001 0.000 0.975 577 T HN 0.077 nan 8.240 nan 0.000 0.509 578 P HA -0.046 nan 4.420 nan 0.000 0.216 578 P C 1.032 178.343 177.300 0.018 0.000 1.153 578 P CA 1.019 64.126 63.100 0.012 0.000 0.848 578 P CB 0.292 31.999 31.700 0.011 0.000 0.787 579 E N -0.502 119.713 120.200 0.025 0.000 2.150 579 E HA -0.082 4.269 4.350 0.001 0.000 0.193 579 E C 2.020 178.644 176.600 0.040 0.000 0.985 579 E CA 0.659 57.079 56.400 0.033 0.000 0.814 579 E CB -1.031 28.695 29.700 0.044 0.000 0.752 579 E HN 0.054 nan 8.360 nan 0.000 0.466 580 V N 0.765 120.707 119.914 0.047 0.000 2.453 580 V HA -0.204 3.917 4.120 0.001 0.000 0.247 580 V C 2.484 178.597 176.094 0.031 0.000 1.048 580 V CA 2.081 64.415 62.300 0.057 0.000 1.049 580 V CB -1.051 30.812 31.823 0.066 0.000 0.672 580 V HN 0.444 nan 8.190 nan 0.000 0.457 581 E N 0.386 120.598 120.200 0.020 0.000 2.038 581 E HA -0.335 4.016 4.350 0.001 0.000 0.195 581 E C 2.138 178.740 176.600 0.004 0.000 1.000 581 E CA 1.783 58.189 56.400 0.010 0.000 0.803 581 E CB -0.720 nan 29.700 nan 0.000 0.750 581 E HN 0.758 nan 8.360 nan 0.000 0.448 582 E N -0.330 119.874 120.200 0.006 0.000 2.077 582 E HA -0.081 4.269 4.350 0.001 0.000 0.193 582 E C 2.413 179.008 176.600 -0.009 0.000 0.989 582 E CA 1.002 57.402 56.400 0.001 0.000 0.800 582 E CB -0.257 29.448 29.700 0.008 0.000 0.746 582 E HN 0.489 nan 8.360 nan 0.000 0.452 583 A N 1.426 124.242 122.820 -0.006 0.000 1.865 583 A HA -0.226 4.094 4.320 0.001 0.000 0.217 583 A C 2.167 179.718 177.584 -0.056 0.000 1.191 583 A CA 1.718 53.740 52.037 -0.026 0.000 0.623 583 A CB -0.556 18.440 19.000 -0.008 0.000 0.826 583 A HN 0.196 nan 8.150 nan 0.000 0.444 584 R N -0.773 119.708 120.500 -0.033 0.000 2.080 584 R HA -0.182 4.159 4.340 0.001 0.000 0.236 584 R C 2.255 178.524 176.300 -0.051 0.000 1.137 584 R CA 1.724 57.798 56.100 -0.043 0.000 0.943 584 R CB -0.412 29.879 30.300 -0.014 0.000 0.846 584 R HN 0.641 nan 8.270 nan 0.000 0.431 585 E N 0.810 120.990 120.200 -0.032 0.000 2.048 585 E HA -0.204 4.147 4.350 0.001 0.000 0.202 585 E C 1.962 178.539 176.600 -0.037 0.000 1.021 585 E CA 1.485 57.868 56.400 -0.027 0.000 0.825 585 E CB -0.235 29.455 29.700 -0.016 0.000 0.756 585 E HN 0.218 nan 8.360 nan 0.000 0.454 586 L N -0.209 120.988 121.223 -0.044 0.000 2.129 586 L HA -0.207 4.134 4.340 0.001 0.000 0.212 586 L C 2.290 179.111 176.870 -0.082 0.000 1.087 586 L CA 0.742 55.553 54.840 -0.049 0.000 0.757 586 L CB -0.404 41.625 42.059 -0.050 0.000 0.896 586 L HN 0.129 nan 8.230 nan 0.000 0.434 587 V N -0.547 119.268 119.914 -0.166 0.000 2.488 587 V HA -0.191 3.929 4.120 0.001 0.000 0.246 587 V C 2.271 178.301 176.094 -0.108 0.000 1.046 587 V CA 1.389 63.530 62.300 -0.265 0.000 1.053 587 V CB -0.249 31.308 31.823 -0.444 0.000 0.679 587 V HN 0.398 nan 8.190 nan 0.000 0.458 588 E N 0.227 120.384 120.200 -0.071 0.000 2.051 588 E HA -0.225 4.125 4.350 0.001 0.000 0.192 588 E C 2.252 178.847 176.600 -0.008 0.000 0.991 588 E CA 1.576 57.957 56.400 -0.033 0.000 0.799 588 E CB -0.135 29.547 29.700 -0.029 0.000 0.748 588 E HN 0.668 nan 8.360 nan 0.000 0.449 589 E N 0.116 120.313 120.200 -0.005 0.000 2.085 589 E HA -0.220 4.131 4.350 0.001 0.000 0.194 589 E C 1.920 178.529 176.600 0.014 0.000 0.994 589 E CA 0.918 57.317 56.400 -0.002 0.000 0.801 589 E CB -0.242 29.455 29.700 -0.004 0.000 0.743 589 E HN 0.202 nan 8.360 nan 0.000 0.453 590 F N 2.118 121.994 119.950 -0.124 0.000 2.095 590 F HA -0.246 4.282 4.527 0.001 0.000 0.298 590 F C 2.441 178.173 175.800 -0.114 0.000 1.104 590 F CA 2.031 59.946 58.000 -0.140 0.000 1.232 590 F CB -0.033 38.834 39.000 -0.222 0.000 0.987 590 F HN -0.045 nan 8.300 nan 0.000 0.475 591 E N -0.469 119.825 120.200 0.157 0.000 2.085 591 E HA -0.260 4.091 4.350 0.001 0.000 0.194 591 E C 2.148 178.737 176.600 -0.018 0.000 0.994 591 E CA 1.447 57.893 56.400 0.078 0.000 0.801 591 E CB -0.126 29.613 29.700 0.065 0.000 0.743 591 E HN 0.479 nan 8.360 nan 0.000 0.453 592 Q N -0.110 119.671 119.800 -0.032 0.000 2.084 592 Q HA -0.152 4.188 4.340 0.001 0.000 0.202 592 Q C 2.142 178.095 176.000 -0.079 0.000 0.978 592 Q CA 1.439 57.215 55.803 -0.045 0.000 0.844 592 Q CB -0.331 28.383 28.738 -0.039 0.000 0.898 592 Q HN 0.376 nan 8.270 nan 0.000 0.426 593 A N 1.137 123.880 122.820 -0.129 0.000 1.929 593 A HA -0.121 4.199 4.320 0.001 0.000 0.216 593 A C 1.638 179.091 177.584 -0.219 0.000 1.176 593 A CA 1.183 53.115 52.037 -0.175 0.000 0.628 593 A CB 0.099 18.954 19.000 -0.241 0.000 0.816 593 A HN 0.196 nan 8.150 nan 0.000 0.444 594 E N -2.171 117.860 120.200 -0.281 0.000 2.562 594 E HA 0.256 4.606 4.350 0.001 0.000 0.214 594 E C 1.049 177.602 176.600 -0.078 0.000 0.979 594 E CA 0.651 56.922 56.400 -0.215 0.000 1.002 594 E CB 0.428 29.899 29.700 -0.383 0.000 1.048 594 E HN 0.777 nan 8.360 nan 0.000 0.488 595 G N 2.780 111.551 108.800 -0.049 0.000 2.176 595 G HA2 -0.301 3.660 3.960 0.001 0.000 0.253 595 G HA3 -0.301 3.660 3.960 0.001 0.000 0.253 595 G C 0.335 175.263 174.900 0.046 0.000 0.979 595 G CA 0.583 45.684 45.100 0.001 0.000 0.641 595 G HN 0.335 nan 8.290 nan 0.000 0.530 596 R N -1.481 119.079 120.500 0.099 0.000 2.734 596 R HA 0.717 5.057 4.340 0.001 0.000 0.271 596 R C -0.441 176.005 176.300 0.243 0.000 1.021 596 R CA -1.229 54.963 56.100 0.153 0.000 0.893 596 R CB 1.039 31.451 30.300 0.187 0.000 1.244 596 R HN 0.140 nan 8.270 nan 0.000 0.464 597 R N 1.010 121.616 120.500 0.176 0.000 2.582 597 R HA 0.288 4.628 4.340 0.001 0.000 0.271 597 R C -2.079 174.246 176.300 0.041 0.000 1.078 597 R CA -1.657 54.489 56.100 0.076 0.000 1.127 597 R CB 0.599 30.900 30.300 0.002 0.000 1.038 597 R HN 0.432 nan 8.270 nan 0.000 0.500 598 P HA 0.022 nan 4.420 nan 0.000 0.267 598 P C -1.051 176.221 177.300 -0.045 0.000 1.209 598 P CA 0.067 62.668 63.100 -0.832 0.000 0.763 598 P CB 0.662 31.405 31.700 -1.594 0.000 0.816 599 R N 3.864 124.556 120.500 0.321 0.000 2.387 599 R HA 0.688 5.029 4.340 0.001 0.000 0.314 599 R C -1.163 175.290 176.300 0.255 0.000 0.958 599 R CA -0.791 55.481 56.100 0.286 0.000 0.846 599 R CB 0.631 31.076 30.300 0.242 0.000 1.147 599 R HN 0.494 nan 8.270 nan 0.000 0.447 600 I N 4.715 125.404 120.570 0.198 0.000 2.545 600 I HA 0.389 4.560 4.170 0.001 0.000 0.292 600 I C -1.594 174.556 176.117 0.054 0.000 1.040 600 I CA -1.494 59.878 61.300 0.120 0.000 1.068 600 I CB 1.748 39.800 38.000 0.085 0.000 1.251 600 I HN 0.699 nan 8.210 nan 0.000 0.424 601 L N 8.342 129.584 121.223 0.032 0.000 2.257 601 L HA 0.484 4.825 4.340 0.001 0.000 0.290 601 L C -1.282 175.572 176.870 -0.026 0.000 1.044 601 L CA -0.108 54.735 54.840 0.006 0.000 0.810 601 L CB 0.874 42.940 42.059 0.011 0.000 1.193 601 L HN 0.485 nan 8.230 nan 0.000 0.425 602 L N 6.150 127.339 121.223 -0.055 0.000 2.283 602 L HA 0.577 4.917 4.340 0.001 0.000 0.287 602 L C 0.375 177.208 176.870 -0.061 0.000 1.073 602 L CA -0.245 54.542 54.840 -0.089 0.000 0.822 602 L CB 0.711 42.687 42.059 -0.138 0.000 1.186 602 L HN 0.822 nan 8.230 nan 0.000 0.436 603 A N 4.605 127.397 122.820 -0.047 0.000 2.324 603 A HA 0.750 5.070 4.320 0.001 0.000 0.330 603 A C -0.569 176.997 177.584 -0.030 0.000 1.165 603 A CA -0.756 51.261 52.037 -0.033 0.000 0.813 603 A CB 1.099 20.091 19.000 -0.013 0.000 1.197 603 A HN 0.465 nan 8.150 nan 0.000 0.484 604 K N 2.720 123.098 120.400 -0.036 0.000 2.464 604 K HA 0.463 4.784 4.320 0.001 0.000 0.252 604 K C -0.876 175.716 176.600 -0.015 0.000 1.000 604 K CA 0.126 56.391 56.287 -0.037 0.000 0.951 604 K CB 1.079 33.524 32.500 -0.093 0.000 1.183 604 K HN 0.818 nan 8.250 nan 0.000 0.445 605 M N 0.571 120.182 119.600 0.019 0.000 2.478 605 M HA 0.538 5.018 4.480 0.001 0.000 0.327 605 M C 0.782 177.123 176.300 0.067 0.000 1.187 605 M CA -0.256 55.068 55.300 0.040 0.000 1.022 605 M CB 1.713 34.335 32.600 0.037 0.000 1.629 605 M HN 0.756 nan 8.290 nan 0.000 0.461 606 G N 1.241 110.087 108.800 0.075 0.000 2.741 606 G HA2 -0.181 3.779 3.960 0.001 0.000 0.222 606 G HA3 -0.181 3.779 3.960 0.001 0.000 0.222 606 G C -0.037 174.964 174.900 0.168 0.000 1.364 606 G CA -0.582 44.569 45.100 0.085 0.000 0.866 606 G HN 0.657 nan 8.290 nan 0.000 0.555 607 Q N 0.248 120.146 119.800 0.164 0.000 2.444 607 Q HA 0.071 4.412 4.340 0.001 0.000 0.206 607 Q C 1.049 177.222 176.000 0.289 0.000 0.948 607 Q CA 0.744 56.702 55.803 0.258 0.000 0.946 607 Q CB -0.217 28.594 28.738 0.120 0.000 1.027 607 Q HN 0.666 nan 8.270 nan 0.000 0.513 608 D N 0.280 120.798 120.400 0.197 0.000 2.581 608 D HA -0.057 4.584 4.640 0.001 0.000 0.238 608 D C 0.973 177.331 176.300 0.096 0.000 1.145 608 D CA 0.642 54.740 54.000 0.164 0.000 0.866 608 D CB 0.504 41.408 40.800 0.173 0.000 1.151 608 D HN 0.231 nan 8.370 nan 0.000 0.500 609 G N 2.586 111.396 108.800 0.018 0.000 3.159 609 G HA2 -0.017 3.944 3.960 0.001 0.000 0.232 609 G HA3 -0.017 3.944 3.960 0.001 0.000 0.232 609 G C 0.179 174.999 174.900 -0.132 0.000 1.116 609 G CA -0.253 44.800 45.100 -0.080 0.000 0.767 609 G HN 0.556 nan 8.290 nan 0.000 0.547 610 H N 1.013 120.078 119.070 -0.009 0.000 2.803 610 H HA 0.320 4.877 4.556 0.001 0.000 0.330 610 H C 0.366 175.674 175.328 -0.033 0.000 1.057 610 H CA 0.659 56.702 56.048 -0.009 0.000 1.458 610 H CB 1.564 31.335 29.762 0.015 0.000 1.470 610 H HN 0.312 nan 8.280 nan 0.000 0.560 611 D N 1.487 121.930 120.400 0.071 0.000 2.538 611 D HA -0.001 4.640 4.640 0.001 0.000 0.241 611 D C 1.575 177.876 176.300 0.001 0.000 1.297 611 D CA -0.357 53.650 54.000 0.011 0.000 0.804 611 D CB -0.079 40.702 40.800 -0.031 0.000 1.122 611 D HN 0.385 nan 8.370 nan 0.000 0.519 612 R N 1.060 121.574 120.500 0.023 0.000 2.080 612 R HA -0.066 4.275 4.340 0.001 0.000 0.236 612 R C 2.061 178.354 176.300 -0.012 0.000 1.137 612 R CA 2.118 58.218 56.100 0.001 0.000 0.943 612 R CB -0.625 29.681 30.300 0.010 0.000 0.846 612 R HN 0.246 nan 8.270 nan 0.000 0.431 613 G N 0.247 109.045 108.800 -0.003 0.000 2.414 613 G HA2 -0.327 3.634 3.960 0.001 0.000 0.215 613 G HA3 -0.327 3.634 3.960 0.001 0.000 0.215 613 G C 1.297 176.139 174.900 -0.096 0.000 1.188 613 G CA 0.591 45.667 45.100 -0.040 0.000 0.783 613 G HN 0.427 nan 8.290 nan 0.000 0.537 614 Q N 0.035 119.785 119.800 -0.083 0.000 2.077 614 Q HA -0.184 4.157 4.340 0.001 0.000 0.206 614 Q C 2.288 178.212 176.000 -0.127 0.000 0.989 614 Q CA 1.482 57.218 55.803 -0.112 0.000 0.853 614 Q CB -0.070 28.621 28.738 -0.080 0.000 0.907 614 Q HN 0.254 nan 8.270 nan 0.000 0.418 615 K N -0.179 120.166 120.400 -0.092 0.000 2.228 615 K HA -0.017 4.304 4.320 0.001 0.000 0.202 615 K C 1.959 178.498 176.600 -0.102 0.000 1.051 615 K CA 0.514 56.750 56.287 -0.086 0.000 0.960 615 K CB -0.285 32.183 32.500 -0.054 0.000 0.743 615 K HN 0.151 nan 8.250 nan 0.000 0.458 616 V N 1.642 121.489 119.914 -0.111 0.000 2.346 616 V HA -0.154 3.966 4.120 0.001 0.000 0.244 616 V C 2.105 178.057 176.094 -0.238 0.000 1.037 616 V CA 0.930 63.154 62.300 -0.127 0.000 1.029 616 V CB -0.162 31.620 31.823 -0.067 0.000 0.663 616 V HN 0.072 nan 8.190 nan 0.000 0.454 617 I N 0.865 121.257 120.570 -0.297 0.000 2.118 617 I HA -0.272 3.899 4.170 0.001 0.000 0.241 617 I C 2.812 178.675 176.117 -0.424 0.000 1.070 617 I CA 2.110 63.116 61.300 -0.489 0.000 1.327 617 I CB -1.823 35.835 38.000 -0.570 0.000 1.034 617 I HN 0.407 nan 8.210 nan 0.000 0.405 618 A N 0.195 122.848 122.820 -0.279 0.000 1.859 618 A HA -0.343 3.978 4.320 0.001 0.000 0.218 618 A C 2.534 180.063 177.584 -0.091 0.000 1.209 618 A CA 3.252 55.189 52.037 -0.167 0.000 0.639 618 A CB -1.457 17.475 19.000 -0.113 0.000 0.835 618 A HN 0.430 nan 8.150 nan 0.000 0.450 619 T N -0.919 113.587 114.554 -0.080 0.000 2.684 619 T HA -0.048 4.303 4.350 0.001 0.000 0.267 619 T C 1.980 176.666 174.700 -0.024 0.000 1.036 619 T CA 2.338 64.421 62.100 -0.029 0.000 1.148 619 T CB -0.524 68.338 68.868 -0.010 0.000 0.863 619 T HN 0.628 nan 8.240 nan 0.000 0.436 620 A N -0.170 122.567 122.820 -0.139 0.000 1.873 620 A HA 0.001 4.322 4.320 0.001 0.000 0.215 620 A C 2.128 179.717 177.584 0.008 0.000 1.186 620 A CA 1.470 53.355 52.037 -0.254 0.000 0.616 620 A CB -1.081 17.364 19.000 -0.925 0.000 0.823 620 A HN 0.609 nan 8.150 nan 0.000 0.442 621 Y N 0.042 120.199 120.300 -0.239 0.000 2.224 621 Y HA -0.087 4.463 4.550 0.001 0.000 0.289 621 Y C 2.922 178.844 175.900 0.036 0.000 1.146 621 Y CA 0.279 58.253 58.100 -0.211 0.000 1.182 621 Y CB -0.964 37.149 38.460 -0.578 0.000 0.983 621 Y HN 0.345 nan 8.280 nan 0.000 0.524 622 A N 0.118 123.028 122.820 0.151 0.000 1.858 622 A HA -0.185 4.136 4.320 0.001 0.000 0.216 622 A C 1.927 179.582 177.584 0.118 0.000 1.190 622 A CA 1.947 54.060 52.037 0.127 0.000 0.617 622 A CB -0.800 18.246 19.000 0.077 0.000 0.827 622 A HN 0.324 nan 8.150 nan 0.000 0.443 623 D N -0.166 120.301 120.400 0.112 0.000 2.311 623 D HA -0.095 4.545 4.640 0.001 0.000 0.212 623 D C 1.475 177.841 176.300 0.111 0.000 0.972 623 D CA 0.858 54.928 54.000 0.118 0.000 0.887 623 D CB -0.169 40.734 40.800 0.172 0.000 0.915 623 D HN 0.482 nan 8.370 nan 0.000 0.497 624 L N -1.559 119.734 121.223 0.117 0.000 2.616 624 L HA 0.263 4.604 4.340 0.001 0.000 0.229 624 L C 1.451 178.327 176.870 0.010 0.000 1.110 624 L CA 0.376 55.264 54.840 0.079 0.000 0.884 624 L CB 0.361 42.477 42.059 0.095 0.000 1.115 624 L HN 0.134 nan 8.230 nan 0.000 0.481 625 G N -0.343 108.481 108.800 0.039 0.000 2.179 625 G HA2 -0.253 3.708 3.960 0.001 0.000 0.220 625 G HA3 -0.253 3.708 3.960 0.001 0.000 0.220 625 G C 0.103 174.960 174.900 -0.071 0.000 0.990 625 G CA -0.560 44.517 45.100 -0.038 0.000 0.646 625 G HN 0.107 nan 8.290 nan 0.000 0.517 626 F N 1.364 121.254 119.950 -0.100 0.000 2.399 626 F HA 0.503 5.030 4.527 0.001 0.000 0.313 626 F C 0.610 176.397 175.800 -0.022 0.000 1.202 626 F CA 0.031 57.974 58.000 -0.096 0.000 1.192 626 F CB 0.656 39.606 39.000 -0.083 0.000 1.256 626 F HN -0.089 nan 8.300 nan 0.000 0.558 627 D N 1.357 121.879 120.400 0.204 0.000 2.441 627 D HA 0.310 4.951 4.640 0.001 0.000 0.231 627 D C -0.945 175.450 176.300 0.158 0.000 1.073 627 D CA -0.030 54.055 54.000 0.141 0.000 0.850 627 D CB 1.685 42.546 40.800 0.103 0.000 1.062 627 D HN 0.011 nan 8.370 nan 0.000 0.524 628 V N 3.113 123.098 119.914 0.119 0.000 2.394 628 V HA 0.207 4.328 4.120 0.001 0.000 0.282 628 V C 0.179 176.295 176.094 0.038 0.000 1.031 628 V CA -0.700 61.644 62.300 0.073 0.000 0.881 628 V CB 1.862 33.712 31.823 0.044 0.000 0.982 628 V HN 0.347 nan 8.190 nan 0.000 0.451 629 D N 3.758 124.172 120.400 0.024 0.000 2.349 629 D HA 0.289 4.930 4.640 0.001 0.000 0.232 629 D C -0.489 175.804 176.300 -0.012 0.000 1.071 629 D CA -0.253 53.753 54.000 0.010 0.000 0.832 629 D CB 2.549 43.355 40.800 0.011 0.000 1.086 629 D HN 0.262 nan 8.370 nan 0.000 0.504 630 V N 2.789 122.692 119.914 -0.019 0.000 2.370 630 V HA 0.238 4.359 4.120 0.001 0.000 0.257 630 V C 1.249 177.322 176.094 -0.034 0.000 1.064 630 V CA -0.466 61.812 62.300 -0.036 0.000 0.975 630 V CB 0.761 32.563 31.823 -0.036 0.000 1.067 630 V HN 0.540 nan 8.190 nan 0.000 0.485 631 G N 7.213 115.990 108.800 -0.039 0.000 2.569 631 G HA2 0.448 4.409 3.960 0.001 0.000 0.249 631 G HA3 0.448 4.409 3.960 0.001 0.000 0.249 631 G C -2.330 172.538 174.900 -0.053 0.000 1.216 631 G CA -0.788 44.290 45.100 -0.036 0.000 0.845 631 G HN 0.567 nan 8.290 nan 0.000 0.568 632 P HA 0.273 nan 4.420 nan 0.000 0.279 632 P C 0.227 177.444 177.300 -0.138 0.000 1.252 632 P CA -0.593 62.462 63.100 -0.075 0.000 0.811 632 P CB 1.357 33.034 31.700 -0.038 0.000 1.035 633 L N 1.199 122.264 121.223 -0.263 0.000 2.473 633 L HA 0.048 4.389 4.340 0.001 0.000 0.265 633 L C 0.797 177.378 176.870 -0.481 0.000 1.243 633 L CA 0.001 54.497 54.840 -0.572 0.000 0.822 633 L CB -0.810 40.575 42.059 -1.124 0.000 1.101 633 L HN 0.387 nan 8.230 nan 0.000 0.507 634 F N -1.396 118.570 119.950 0.027 0.000 3.069 634 F HA -0.272 4.255 4.527 0.001 0.000 0.285 634 F C 0.694 176.501 175.800 0.012 0.000 0.827 634 F CA 0.260 58.273 58.000 0.021 0.000 1.108 634 F CB -2.584 36.441 39.000 0.040 0.000 1.252 634 F HN 0.516 nan 8.300 nan 0.000 0.483 635 Q N 0.485 120.336 119.800 0.085 0.000 2.352 635 Q HA 0.413 4.753 4.340 0.001 0.000 0.260 635 Q C 1.047 177.079 176.000 0.053 0.000 0.976 635 Q CA 0.353 56.194 55.803 0.063 0.000 0.881 635 Q CB 1.127 29.881 28.738 0.027 0.000 1.235 635 Q HN 0.426 nan 8.270 nan 0.000 0.419 636 T N -1.174 113.404 114.554 0.039 0.000 2.849 636 T HA 0.182 4.532 4.350 0.001 0.000 0.284 636 T C -1.953 172.759 174.700 0.020 0.000 1.004 636 T CA -1.762 60.352 62.100 0.023 0.000 1.021 636 T CB 0.707 69.581 68.868 0.010 0.000 1.013 636 T HN 0.272 nan 8.240 nan 0.000 0.527 637 P HA -0.114 nan 4.420 nan 0.000 0.215 637 P C 1.516 178.824 177.300 0.014 0.000 1.153 637 P CA 1.057 64.166 63.100 0.016 0.000 0.853 637 P CB 0.023 31.732 31.700 0.015 0.000 0.788 638 E N 0.394 120.601 120.200 0.012 0.000 2.051 638 E HA -0.263 4.087 4.350 0.001 0.000 0.192 638 E C 2.036 178.643 176.600 0.012 0.000 0.991 638 E CA 1.253 57.660 56.400 0.011 0.000 0.799 638 E CB -0.321 29.384 29.700 0.009 0.000 0.748 638 E HN 0.221 nan 8.360 nan 0.000 0.449 639 E N -0.629 119.579 120.200 0.014 0.000 2.153 639 E HA -0.131 4.220 4.350 0.001 0.000 0.194 639 E C 1.860 178.468 176.600 0.014 0.000 0.988 639 E CA 1.517 57.926 56.400 0.016 0.000 0.811 639 E CB 0.102 29.815 29.700 0.021 0.000 0.746 639 E HN 0.231 nan 8.360 nan 0.000 0.466 640 T N 0.227 114.789 114.554 0.014 0.000 2.777 640 T HA -0.104 4.246 4.350 0.001 0.000 0.266 640 T C 1.734 176.441 174.700 0.012 0.000 1.040 640 T CA 1.056 63.163 62.100 0.012 0.000 1.141 640 T CB -0.191 68.684 68.868 0.013 0.000 0.868 640 T HN 0.295 nan 8.240 nan 0.000 0.444 641 A N 1.927 124.754 122.820 0.013 0.000 1.835 641 A HA -0.123 4.198 4.320 0.001 0.000 0.215 641 A C 2.256 179.847 177.584 0.011 0.000 1.199 641 A CA 2.012 54.056 52.037 0.013 0.000 0.615 641 A CB -0.741 18.267 19.000 0.012 0.000 0.838 641 A HN 0.434 nan 8.150 nan 0.000 0.444 642 R N -0.562 119.944 120.500 0.010 0.000 2.096 642 R HA -0.258 4.082 4.340 0.001 0.000 0.240 642 R C 2.471 178.776 176.300 0.008 0.000 1.139 642 R CA 2.223 58.328 56.100 0.009 0.000 0.952 642 R CB -0.402 29.904 30.300 0.010 0.000 0.854 642 R HN 0.724 nan 8.270 nan 0.000 0.436 643 Q N -0.448 119.357 119.800 0.009 0.000 2.050 643 Q HA -0.155 4.185 4.340 0.001 0.000 0.202 643 Q C 1.989 177.994 176.000 0.008 0.000 0.980 643 Q CA 1.807 57.615 55.803 0.008 0.000 0.840 643 Q CB -0.183 28.559 28.738 0.007 0.000 0.898 643 Q HN 0.502 nan 8.270 nan 0.000 0.424 644 A N -0.195 122.631 122.820 0.010 0.000 1.908 644 A HA -0.160 4.161 4.320 0.001 0.000 0.218 644 A C 2.192 179.780 177.584 0.007 0.000 1.181 644 A CA 1.688 53.732 52.037 0.012 0.000 0.627 644 A CB -0.775 18.235 19.000 0.016 0.000 0.818 644 A HN 0.317 nan 8.150 nan 0.000 0.445 645 V N -0.110 119.807 119.914 0.005 0.000 2.244 645 V HA -0.239 3.882 4.120 0.001 0.000 0.244 645 V C 2.317 178.411 176.094 -0.001 0.000 1.042 645 V CA 2.094 64.395 62.300 0.001 0.000 1.006 645 V CB -0.930 30.895 31.823 0.004 0.000 0.641 645 V HN 0.624 nan 8.190 nan 0.000 0.446 646 E N 0.073 120.274 120.200 0.002 0.000 2.284 646 E HA -0.245 4.106 4.350 0.001 0.000 0.200 646 E C 1.918 178.519 176.600 0.001 0.000 1.008 646 E CA 1.388 57.789 56.400 0.002 0.000 0.829 646 E CB -0.191 29.512 29.700 0.004 0.000 0.744 646 E HN 0.615 nan 8.360 nan 0.000 0.491 647 A N 0.745 123.566 122.820 0.002 0.000 2.303 647 A HA 0.043 4.364 4.320 0.001 0.000 0.217 647 A C 0.362 177.942 177.584 -0.006 0.000 1.205 647 A CA 0.388 52.427 52.037 0.004 0.000 0.875 647 A CB 0.336 19.343 19.000 0.011 0.000 0.910 647 A HN 0.250 nan 8.150 nan 0.000 0.501 648 D N -0.229 120.161 120.400 -0.017 0.000 2.812 648 D HA -0.121 4.519 4.640 0.001 0.000 0.237 648 D C 0.152 176.409 176.300 -0.072 0.000 1.162 648 D CA 0.624 54.598 54.000 -0.044 0.000 0.740 648 D CB -1.694 39.076 40.800 -0.049 0.000 1.000 648 D HN 0.835 nan 8.370 nan 0.000 0.416 649 V N -0.651 119.243 119.914 -0.033 0.000 3.264 649 V HA 0.418 4.539 4.120 0.001 0.000 0.304 649 V C 1.513 177.581 176.094 -0.043 0.000 1.086 649 V CA 0.123 62.419 62.300 -0.007 0.000 1.090 649 V CB 1.210 33.060 31.823 0.045 0.000 1.112 649 V HN 0.355 nan 8.190 nan 0.000 0.472 650 H N 0.514 119.639 119.070 0.092 0.000 2.486 650 H HA 0.516 5.072 4.556 0.001 0.000 0.287 650 H C 0.431 175.815 175.328 0.093 0.000 1.010 650 H CA 1.386 57.501 56.048 0.112 0.000 1.324 650 H CB 0.954 30.808 29.762 0.152 0.000 1.446 650 H HN 0.484 nan 8.280 nan 0.000 0.537 651 V N 0.565 120.604 119.914 0.208 0.000 2.932 651 V HA 0.358 4.479 4.120 0.001 0.000 0.307 651 V C -1.376 174.772 176.094 0.090 0.000 1.147 651 V CA -0.925 61.458 62.300 0.139 0.000 0.951 651 V CB 2.294 34.213 31.823 0.159 0.000 1.031 651 V HN -0.142 nan 8.190 nan 0.000 0.426 652 V N 5.756 125.708 119.914 0.063 0.000 2.304 652 V HA 0.534 4.655 4.120 0.001 0.000 0.269 652 V C 0.944 177.056 176.094 0.029 0.000 1.036 652 V CA 0.198 62.521 62.300 0.037 0.000 0.840 652 V CB 1.110 32.949 31.823 0.027 0.000 1.036 652 V HN 1.047 nan 8.190 nan 0.000 0.466 653 G N 4.656 113.461 108.800 0.009 0.000 2.639 653 G HA2 0.427 4.388 3.960 0.001 0.000 0.312 653 G HA3 0.427 4.388 3.960 0.001 0.000 0.312 653 G C -0.210 174.674 174.900 -0.026 0.000 0.911 653 G CA -0.206 44.887 45.100 -0.011 0.000 1.410 653 G HN 0.506 nan 8.290 nan 0.000 0.469 654 V N 1.785 121.697 119.914 -0.003 0.000 2.555 654 V HA 0.347 4.468 4.120 0.001 0.000 0.286 654 V C 0.726 176.811 176.094 -0.014 0.000 1.044 654 V CA -0.098 62.200 62.300 -0.004 0.000 1.026 654 V CB 1.578 33.410 31.823 0.015 0.000 0.981 654 V HN 0.602 nan 8.190 nan 0.000 0.480 655 S N 3.842 119.529 115.700 -0.022 0.000 2.667 655 S HA 0.426 4.897 4.470 0.001 0.000 0.304 655 S C -0.382 174.216 174.600 -0.004 0.000 1.135 655 S CA -0.374 57.808 58.200 -0.030 0.000 1.125 655 S CB 0.857 64.024 63.200 -0.055 0.000 0.996 655 S HN 0.797 nan 8.310 nan 0.000 0.474 656 S N 4.244 119.944 115.700 0.000 0.000 2.449 656 S HA 0.703 5.173 4.470 0.001 0.000 0.310 656 S C -0.075 174.527 174.600 0.003 0.000 1.096 656 S CA -0.581 57.639 58.200 0.034 0.000 1.095 656 S CB 0.839 64.084 63.200 0.076 0.000 1.007 656 S HN 0.748 nan 8.310 nan 0.000 0.474 657 L N 4.079 125.308 121.223 0.011 0.000 3.360 657 L HA 0.481 4.822 4.340 0.001 0.000 0.303 657 L C 1.552 178.419 176.870 -0.006 0.000 1.218 657 L CA 0.344 55.117 54.840 -0.113 0.000 1.059 657 L CB 0.324 42.139 42.059 -0.407 0.000 1.468 657 L HN 0.729 nan 8.230 nan 0.000 0.614 658 A N -0.727 122.180 122.820 0.144 0.000 2.387 658 A HA 0.598 4.919 4.320 0.001 0.000 0.234 658 A C 1.670 179.350 177.584 0.160 0.000 1.253 658 A CA 0.596 52.748 52.037 0.191 0.000 0.894 658 A CB -0.216 18.913 19.000 0.215 0.000 0.963 658 A HN 0.439 nan 8.150 nan 0.000 0.508 659 G N -1.616 107.296 108.800 0.186 0.000 2.213 659 G HA2 -0.195 3.766 3.960 0.001 0.000 0.236 659 G HA3 -0.195 3.766 3.960 0.001 0.000 0.236 659 G C 1.287 176.196 174.900 0.015 0.000 0.991 659 G CA 0.373 45.565 45.100 0.153 0.000 0.629 659 G HN 1.271 nan 8.290 nan 0.000 0.517 660 G N 0.835 109.670 108.800 0.059 0.000 2.598 660 G HA2 0.094 4.054 3.960 0.001 0.000 0.215 660 G HA3 0.094 4.054 3.960 0.001 0.000 0.215 660 G C 1.407 176.258 174.900 -0.081 0.000 1.131 660 G CA 1.704 46.793 45.100 -0.019 0.000 0.785 660 G HN 0.995 nan 8.290 nan 0.000 0.539 661 H N 0.973 120.064 119.070 0.034 0.000 2.325 661 H HA -0.172 4.385 4.556 0.001 0.000 0.293 661 H C 2.213 177.558 175.328 0.028 0.000 1.106 661 H CA 1.386 57.452 56.048 0.030 0.000 1.247 661 H CB -0.923 28.858 29.762 0.032 0.000 1.359 661 H HN 0.351 nan 8.280 nan 0.000 0.488 662 L N 1.210 122.199 121.223 -0.390 0.000 2.187 662 L HA -0.139 4.202 4.340 0.001 0.000 0.213 662 L C 2.867 179.693 176.870 -0.075 0.000 1.100 662 L CA 1.886 56.634 54.840 -0.154 0.000 0.765 662 L CB -0.533 41.431 42.059 -0.159 0.000 0.904 662 L HN 0.567 nan 8.230 nan 0.000 0.437 663 T N -3.512 110.999 114.554 -0.073 0.000 3.045 663 T HA 0.085 4.436 4.350 0.001 0.000 0.239 663 T C 1.820 176.515 174.700 -0.009 0.000 1.008 663 T CA 0.030 62.111 62.100 -0.032 0.000 1.143 663 T CB -0.453 68.396 68.868 -0.030 0.000 0.894 663 T HN 0.143 nan 8.240 nan 0.000 0.451 664 L N 1.391 122.615 121.223 0.001 0.000 2.012 664 L HA -0.044 4.296 4.340 0.001 0.000 0.210 664 L C 2.898 179.786 176.870 0.029 0.000 1.073 664 L CA 0.924 55.776 54.840 0.021 0.000 0.748 664 L CB -1.127 40.954 42.059 0.036 0.000 0.891 664 L HN 0.110 nan 8.230 nan 0.000 0.431 665 V N 0.319 120.259 119.914 0.044 0.000 2.255 665 V HA -0.169 3.951 4.120 0.001 0.000 0.247 665 V C 0.013 176.125 176.094 0.030 0.000 1.051 665 V CA 2.270 64.597 62.300 0.044 0.000 1.018 665 V CB -1.784 30.079 31.823 0.067 0.000 0.641 665 V HN 0.365 nan 8.190 nan 0.000 0.445 666 P HA -0.161 nan 4.420 nan 0.000 0.215 666 P C 1.639 178.948 177.300 0.015 0.000 1.153 666 P CA 2.265 65.376 63.100 0.019 0.000 0.853 666 P CB -0.183 31.526 31.700 0.015 0.000 0.788 667 A N -0.026 122.802 122.820 0.013 0.000 1.978 667 A HA -0.154 4.166 4.320 0.001 0.000 0.220 667 A C 2.362 179.954 177.584 0.013 0.000 1.170 667 A CA 1.205 53.249 52.037 0.011 0.000 0.636 667 A CB -1.632 17.373 19.000 0.008 0.000 0.810 667 A HN 0.161 nan 8.150 nan 0.000 0.448 668 L N -1.293 119.940 121.223 0.017 0.000 2.005 668 L HA -0.175 4.166 4.340 0.001 0.000 0.207 668 L C 2.745 179.625 176.870 0.018 0.000 1.072 668 L CA 2.101 56.952 54.840 0.018 0.000 0.744 668 L CB -0.358 41.714 42.059 0.021 0.000 0.895 668 L HN 0.407 nan 8.230 nan 0.000 0.433 669 R N 0.365 120.876 120.500 0.018 0.000 2.094 669 R HA -0.187 4.154 4.340 0.001 0.000 0.239 669 R C 2.426 178.735 176.300 0.015 0.000 1.137 669 R CA 2.233 58.343 56.100 0.018 0.000 0.943 669 R CB -0.560 29.751 30.300 0.018 0.000 0.850 669 R HN 0.076 nan 8.270 nan 0.000 0.433 670 K N 0.378 120.786 120.400 0.013 0.000 2.097 670 K HA -0.056 4.264 4.320 0.001 0.000 0.206 670 K C 2.115 178.722 176.600 0.011 0.000 1.049 670 K CA 1.497 57.791 56.287 0.011 0.000 0.933 670 K CB -0.424 32.082 32.500 0.010 0.000 0.717 670 K HN 0.390 nan 8.250 nan 0.000 0.442 671 E N 0.424 120.630 120.200 0.011 0.000 2.072 671 E HA -0.008 4.342 4.350 0.001 0.000 0.191 671 E C 2.158 178.765 176.600 0.012 0.000 0.985 671 E CA 0.911 57.318 56.400 0.011 0.000 0.801 671 E CB -0.226 29.480 29.700 0.011 0.000 0.750 671 E HN 0.327 nan 8.360 nan 0.000 0.452 672 L N 1.139 122.371 121.223 0.014 0.000 2.013 672 L HA -0.263 4.078 4.340 0.001 0.000 0.212 672 L C 2.101 178.979 176.870 0.014 0.000 1.073 672 L CA 1.578 56.427 54.840 0.015 0.000 0.753 672 L CB -0.393 41.677 42.059 0.019 0.000 0.890 672 L HN 0.034 nan 8.230 nan 0.000 0.432 673 D N -0.543 119.865 120.400 0.014 0.000 2.144 673 D HA -0.166 4.474 4.640 0.001 0.000 0.200 673 D C 2.126 178.432 176.300 0.010 0.000 0.978 673 D CA 0.956 54.964 54.000 0.012 0.000 0.833 673 D CB -0.059 40.748 40.800 0.013 0.000 0.961 673 D HN 0.165 nan 8.370 nan 0.000 0.470 674 K N 0.365 120.771 120.400 0.009 0.000 2.148 674 K HA -0.004 4.317 4.320 0.001 0.000 0.204 674 K C 1.503 178.107 176.600 0.008 0.000 1.050 674 K CA 0.549 56.841 56.287 0.008 0.000 0.942 674 K CB 0.018 32.522 32.500 0.007 0.000 0.724 674 K HN 0.160 nan 8.250 nan 0.000 0.446 675 L N 0.256 121.484 121.223 0.008 0.000 2.645 675 L HA 0.108 4.449 4.340 0.001 0.000 0.235 675 L C 0.883 177.757 176.870 0.007 0.000 1.150 675 L CA 0.449 55.293 54.840 0.007 0.000 0.911 675 L CB -0.276 41.788 42.059 0.007 0.000 1.077 675 L HN 0.453 nan 8.230 nan 0.000 0.438 676 G N 1.038 109.843 108.800 0.008 0.000 2.176 676 G HA2 -0.256 3.705 3.960 0.001 0.000 0.252 676 G HA3 -0.256 3.705 3.960 0.001 0.000 0.252 676 G C 0.150 175.055 174.900 0.008 0.000 1.024 676 G CA -0.223 44.882 45.100 0.007 0.000 0.755 676 G HN 0.301 nan 8.290 nan 0.000 0.507 677 R N -0.453 120.053 120.500 0.010 0.000 2.585 677 R HA 0.315 4.655 4.340 0.001 0.000 0.278 677 R C -2.083 174.227 176.300 0.018 0.000 1.663 677 R CA -1.661 54.446 56.100 0.012 0.000 1.592 677 R CB 1.483 31.789 30.300 0.009 0.000 1.200 677 R HN 0.226 nan 8.270 nan 0.000 0.611 678 P HA -0.033 nan 4.420 nan 0.000 0.245 678 P C 0.567 177.885 177.300 0.030 0.000 1.206 678 P CA 0.544 63.657 63.100 0.022 0.000 0.781 678 P CB 0.402 32.113 31.700 0.019 0.000 0.994 679 D N 0.210 120.630 120.400 0.034 0.000 2.162 679 D HA -0.070 4.571 4.640 0.001 0.000 0.203 679 D C 0.805 177.140 176.300 0.059 0.000 0.967 679 D CA 0.233 54.260 54.000 0.045 0.000 0.840 679 D CB -0.584 40.240 40.800 0.040 0.000 0.972 679 D HN 0.178 nan 8.370 nan 0.000 0.482 680 I N 1.837 122.436 120.570 0.047 0.000 2.533 680 I HA 0.031 4.201 4.170 0.001 0.000 0.284 680 I C 0.726 176.881 176.117 0.064 0.000 1.109 680 I CA -0.310 61.026 61.300 0.059 0.000 1.412 680 I CB 0.976 39.000 38.000 0.040 0.000 1.396 680 I HN -0.061 nan 8.210 nan 0.000 0.543 681 L N 7.064 128.338 121.223 0.085 0.000 2.439 681 L HA 0.517 4.857 4.340 0.001 0.000 0.259 681 L C -0.180 176.727 176.870 0.062 0.000 1.129 681 L CA -0.686 54.198 54.840 0.073 0.000 0.803 681 L CB 1.142 43.254 42.059 0.088 0.000 1.161 681 L HN 0.464 nan 8.230 nan 0.000 0.462 682 I N 0.483 121.080 120.570 0.045 0.000 2.465 682 I HA 0.301 4.472 4.170 0.001 0.000 0.291 682 I C -0.190 175.944 176.117 0.028 0.000 1.014 682 I CA -0.345 60.977 61.300 0.035 0.000 1.093 682 I CB 2.206 40.219 38.000 0.023 0.000 1.267 682 I HN 0.611 nan 8.210 nan 0.000 0.431 683 T N 2.800 117.377 114.554 0.039 0.000 2.918 683 T HA 0.750 5.100 4.350 0.001 0.000 0.286 683 T C -0.529 174.176 174.700 0.009 0.000 1.026 683 T CA -0.802 61.318 62.100 0.034 0.000 1.031 683 T CB 2.148 71.110 68.868 0.157 0.000 1.046 683 T HN 0.185 nan 8.240 nan 0.000 0.479 684 V N 1.382 121.263 119.914 -0.054 0.000 2.487 684 V HA 0.822 4.942 4.120 0.001 0.000 0.298 684 V C 0.586 176.652 176.094 -0.047 0.000 1.028 684 V CA -0.476 61.794 62.300 -0.050 0.000 0.860 684 V CB 1.418 33.198 31.823 -0.072 0.000 0.991 684 V HN 1.306 nan 8.190 nan 0.000 0.427 685 G N 1.691 110.490 108.800 -0.001 0.000 2.605 685 G HA2 0.872 4.832 3.960 0.001 0.000 0.296 685 G HA3 0.872 4.832 3.960 0.001 0.000 0.296 685 G C -0.123 174.757 174.900 -0.033 0.000 1.304 685 G CA -0.015 45.097 45.100 0.020 0.000 0.941 685 G HN 1.432 nan 8.290 nan 0.000 0.475 686 G N -1.743 107.039 108.800 -0.030 0.000 2.337 686 G HA2 0.164 4.125 3.960 0.001 0.000 0.197 686 G HA3 0.164 4.125 3.960 0.001 0.000 0.197 686 G C -0.940 173.923 174.900 -0.061 0.000 1.238 686 G CA -0.075 44.993 45.100 -0.054 0.000 1.119 686 G HN 1.442 nan 8.290 nan 0.000 0.514 687 V N 1.226 121.091 119.914 -0.082 0.000 2.322 687 V HA 0.565 4.685 4.120 0.001 0.000 0.258 687 V C 0.108 176.146 176.094 -0.094 0.000 1.074 687 V CA 0.238 62.500 62.300 -0.062 0.000 0.909 687 V CB 0.015 31.802 31.823 -0.061 0.000 1.090 687 V HN 0.523 nan 8.190 nan 0.000 0.486 688 I N 7.269 127.787 120.570 -0.087 0.000 2.468 688 I HA 0.404 4.575 4.170 0.001 0.000 0.285 688 I C -2.472 173.680 176.117 0.058 0.000 1.039 688 I CA -1.926 59.290 61.300 -0.140 0.000 1.074 688 I CB 2.646 40.551 38.000 -0.158 0.000 1.228 688 I HN 0.380 nan 8.210 nan 0.000 0.436 689 P HA 0.066 nan 4.420 nan 0.000 0.268 689 P C 0.635 177.721 177.300 -0.357 0.000 1.204 689 P CA -0.075 62.968 63.100 -0.093 0.000 0.768 689 P CB 0.790 32.464 31.700 -0.042 0.000 0.842 690 E N 1.831 121.627 120.200 -0.673 0.000 2.233 690 E HA -0.298 4.052 4.350 0.001 0.000 0.199 690 E C 1.108 177.217 176.600 -0.818 0.000 1.004 690 E CA 1.421 57.045 56.400 -1.293 0.000 0.819 690 E CB 0.084 29.363 29.700 -0.701 0.000 0.738 690 E HN 0.476 nan 8.360 nan 0.000 0.478 691 Q N -0.004 119.577 119.800 -0.365 0.000 2.297 691 Q HA -0.106 4.234 4.340 0.001 0.000 0.204 691 Q C 1.230 177.192 176.000 -0.062 0.000 0.962 691 Q CA 1.250 56.953 55.803 -0.167 0.000 0.879 691 Q CB 0.281 28.962 28.738 -0.096 0.000 0.947 691 Q HN 0.217 nan 8.270 nan 0.000 0.462 692 D N -0.705 119.689 120.400 -0.009 0.000 2.323 692 D HA -0.030 4.610 4.640 0.001 0.000 0.209 692 D C 0.916 177.374 176.300 0.264 0.000 0.973 692 D CA 0.356 54.445 54.000 0.148 0.000 0.874 692 D CB 0.040 41.007 40.800 0.279 0.000 0.930 692 D HN 0.128 nan 8.370 nan 0.000 0.521 693 F N 1.586 121.542 119.950 0.011 0.000 2.161 693 F HA -0.121 4.407 4.527 0.001 0.000 0.300 693 F C 1.840 177.638 175.800 -0.004 0.000 1.089 693 F CA 0.769 58.763 58.000 -0.010 0.000 1.282 693 F CB -0.977 38.008 39.000 -0.026 0.000 1.010 693 F HN -0.038 nan 8.300 nan 0.000 0.485 694 D N -0.426 120.088 120.400 0.191 0.000 2.123 694 D HA -0.135 4.506 4.640 0.001 0.000 0.200 694 D C 2.212 178.557 176.300 0.075 0.000 0.976 694 D CA 1.194 55.257 54.000 0.104 0.000 0.831 694 D CB -0.299 40.545 40.800 0.073 0.000 0.974 694 D HN 0.317 nan 8.370 nan 0.000 0.469 695 E N 0.219 120.467 120.200 0.081 0.000 2.031 695 E HA -0.139 4.212 4.350 0.001 0.000 0.193 695 E C 2.136 178.779 176.600 0.071 0.000 0.994 695 E CA 0.606 57.045 56.400 0.065 0.000 0.800 695 E CB -0.087 29.653 29.700 0.066 0.000 0.752 695 E HN 0.188 nan 8.360 nan 0.000 0.447 696 L N 0.293 121.577 121.223 0.101 0.000 2.013 696 L HA -0.249 4.092 4.340 0.001 0.000 0.212 696 L C 2.759 179.645 176.870 0.026 0.000 1.073 696 L CA 1.540 56.424 54.840 0.073 0.000 0.753 696 L CB -0.421 41.685 42.059 0.079 0.000 0.890 696 L HN 0.109 nan 8.230 nan 0.000 0.432 697 R N -0.264 120.244 120.500 0.013 0.000 2.080 697 R HA -0.169 4.172 4.340 0.001 0.000 0.236 697 R C 2.520 178.824 176.300 0.007 0.000 1.137 697 R CA 1.582 57.678 56.100 -0.007 0.000 0.943 697 R CB -0.522 29.773 30.300 -0.007 0.000 0.846 697 R HN 0.017 nan 8.270 nan 0.000 0.431 698 K N 0.433 120.844 120.400 0.019 0.000 2.211 698 K HA -0.112 4.209 4.320 0.001 0.000 0.204 698 K C 1.037 177.647 176.600 0.018 0.000 1.047 698 K CA 1.600 57.898 56.287 0.019 0.000 0.935 698 K CB -0.380 32.133 32.500 0.023 0.000 0.728 698 K HN 0.308 nan 8.250 nan 0.000 0.452 699 D N -1.818 118.594 120.400 0.021 0.000 2.340 699 D HA 0.158 4.798 4.640 0.001 0.000 0.220 699 D C 1.155 177.466 176.300 0.018 0.000 1.039 699 D CA 0.936 54.949 54.000 0.021 0.000 0.866 699 D CB 0.793 41.611 40.800 0.030 0.000 0.913 699 D HN 0.482 nan 8.370 nan 0.000 0.523 700 G N -0.094 108.714 108.800 0.012 0.000 2.205 700 G HA2 -0.117 3.843 3.960 0.001 0.000 0.180 700 G HA3 -0.117 3.843 3.960 0.001 0.000 0.180 700 G C 0.458 175.358 174.900 0.001 0.000 1.004 700 G CA -0.062 45.044 45.100 0.010 0.000 0.670 700 G HN 0.490 nan 8.290 nan 0.000 0.496 701 A N 0.859 123.672 122.820 -0.012 0.000 2.404 701 A HA 0.677 4.998 4.320 0.001 0.000 0.273 701 A C 1.663 179.209 177.584 -0.064 0.000 1.144 701 A CA 0.591 52.603 52.037 -0.042 0.000 0.806 701 A CB 0.718 19.680 19.000 -0.062 0.000 1.080 701 A HN 1.540 nan 8.150 nan 0.000 0.509 702 V N -0.527 119.350 119.914 -0.060 0.000 2.992 702 V HA 0.239 4.360 4.120 0.001 0.000 0.250 702 V C 0.403 176.420 176.094 -0.128 0.000 1.090 702 V CA 0.791 63.054 62.300 -0.062 0.000 1.101 702 V CB -0.440 31.374 31.823 -0.014 0.000 0.743 702 V HN 0.678 nan 8.190 nan 0.000 0.468 703 E N 0.009 120.080 120.200 -0.214 0.000 2.314 703 E HA 0.628 4.978 4.350 0.001 0.000 0.272 703 E C -1.498 174.737 176.600 -0.608 0.000 0.884 703 E CA -0.478 55.650 56.400 -0.452 0.000 0.753 703 E CB 3.127 32.562 29.700 -0.440 0.000 1.213 703 E HN 0.314 nan 8.360 nan 0.000 0.432 704 I N 2.849 122.950 120.570 -0.781 0.000 2.439 704 I HA 0.268 4.438 4.170 0.001 0.000 0.285 704 I C -1.349 174.330 176.117 -0.731 0.000 1.021 704 I CA -0.705 60.180 61.300 -0.692 0.000 1.091 704 I CB 0.914 38.425 38.000 -0.815 0.000 1.242 704 I HN 0.345 nan 8.210 nan 0.000 0.439 705 Y N 4.428 124.618 120.300 -0.183 0.000 2.328 705 Y HA 0.443 4.993 4.550 0.001 0.000 0.333 705 Y C 0.782 176.626 175.900 -0.093 0.000 0.958 705 Y CA -0.901 57.128 58.100 -0.119 0.000 1.167 705 Y CB 1.566 39.969 38.460 -0.094 0.000 1.151 705 Y HN 0.490 nan 8.280 nan 0.000 0.470 706 T N 0.244 114.840 114.554 0.069 0.000 2.893 706 T HA 0.572 4.922 4.350 0.001 0.000 0.279 706 T C -2.720 172.009 174.700 0.048 0.000 0.991 706 T CA -2.776 59.360 62.100 0.059 0.000 0.950 706 T CB 1.103 70.039 68.868 0.112 0.000 1.223 706 T HN 0.143 nan 8.240 nan 0.000 0.585 707 P HA 0.255 nan 4.420 nan 0.000 0.264 707 P C 1.091 178.393 177.300 0.003 0.000 1.179 707 P CA 1.425 64.525 63.100 0.001 0.000 0.763 707 P CB -0.087 31.599 31.700 -0.024 0.000 0.806 708 G N 1.206 110.003 108.800 -0.006 0.000 2.195 708 G HA2 -0.242 3.718 3.960 0.001 0.000 0.246 708 G HA3 -0.242 3.718 3.960 0.001 0.000 0.246 708 G C 0.414 175.329 174.900 0.024 0.000 0.984 708 G CA 0.132 45.230 45.100 -0.002 0.000 0.633 708 G HN 0.642 nan 8.290 nan 0.000 0.525 709 T N 1.464 116.039 114.554 0.035 0.000 2.905 709 T HA 0.350 4.700 4.350 0.001 0.000 0.299 709 T C 0.827 175.543 174.700 0.026 0.000 1.024 709 T CA 0.572 62.698 62.100 0.043 0.000 1.151 709 T CB 1.469 70.358 68.868 0.036 0.000 0.987 709 T HN 0.622 nan 8.240 nan 0.000 0.535 710 V N 6.056 125.992 119.914 0.038 0.000 2.498 710 V HA 0.181 4.301 4.120 0.001 0.000 0.279 710 V C 1.696 177.809 176.094 0.032 0.000 1.048 710 V CA -0.361 61.971 62.300 0.053 0.000 0.967 710 V CB 0.944 32.803 31.823 0.060 0.000 0.988 710 V HN 0.843 nan 8.190 nan 0.000 0.473 711 I N 5.525 126.119 120.570 0.039 0.000 2.151 711 I HA -0.136 4.035 4.170 0.001 0.000 0.243 711 I C -0.371 175.787 176.117 0.069 0.000 1.080 711 I CA 1.813 63.117 61.300 0.006 0.000 1.339 711 I CB -1.018 36.913 38.000 -0.116 0.000 1.039 711 I HN 0.580 nan 8.210 nan 0.000 0.409 712 P HA -0.159 nan 4.420 nan 0.000 0.215 712 P C 1.351 178.676 177.300 0.042 0.000 1.157 712 P CA 1.517 64.661 63.100 0.073 0.000 0.863 712 P CB -0.085 31.674 31.700 0.098 0.000 0.787 713 E N 0.225 120.453 120.200 0.048 0.000 2.070 713 E HA -0.189 4.162 4.350 0.001 0.000 0.197 713 E C 2.215 178.839 176.600 0.040 0.000 1.004 713 E CA 1.999 58.428 56.400 0.047 0.000 0.805 713 E CB -0.567 29.167 29.700 0.056 0.000 0.744 713 E HN 0.330 nan 8.360 nan 0.000 0.451 714 S N 0.779 116.467 115.700 -0.021 0.000 2.399 714 S HA -0.102 4.368 4.470 0.001 0.000 0.231 714 S C 2.159 176.733 174.600 -0.043 0.000 1.022 714 S CA 0.889 59.000 58.200 -0.149 0.000 0.983 714 S CB -0.137 62.689 63.200 -0.622 0.000 0.803 714 S HN 0.304 nan 8.310 nan 0.000 0.480 715 A N 2.142 124.951 122.820 -0.018 0.000 1.855 715 A HA 0.126 4.447 4.320 0.001 0.000 0.215 715 A C 2.211 179.807 177.584 0.019 0.000 1.191 715 A CA 1.365 53.345 52.037 -0.096 0.000 0.613 715 A CB -0.887 17.942 19.000 -0.285 0.000 0.829 715 A HN 0.542 nan 8.150 nan 0.000 0.442 716 I N 0.739 121.320 120.570 0.018 0.000 2.118 716 I HA -0.300 3.871 4.170 0.001 0.000 0.241 716 I C 2.884 179.036 176.117 0.058 0.000 1.070 716 I CA 1.950 63.267 61.300 0.028 0.000 1.327 716 I CB -0.243 37.775 38.000 0.030 0.000 1.034 716 I HN 0.508 nan 8.210 nan 0.000 0.405 717 S N 0.504 116.260 115.700 0.092 0.000 2.481 717 S HA -0.105 4.366 4.470 0.001 0.000 0.231 717 S C 1.881 176.570 174.600 0.148 0.000 0.996 717 S CA 0.565 58.836 58.200 0.119 0.000 0.942 717 S CB -0.409 62.876 63.200 0.142 0.000 0.768 717 S HN 0.358 nan 8.310 nan 0.000 0.520 718 L N 1.553 122.883 121.223 0.179 0.000 2.068 718 L HA 0.187 4.527 4.340 0.001 0.000 0.204 718 L C 2.464 179.409 176.870 0.124 0.000 1.076 718 L CA 1.302 56.258 54.840 0.193 0.000 0.753 718 L CB -0.923 41.266 42.059 0.218 0.000 0.910 718 L HN 0.190 nan 8.230 nan 0.000 0.439 719 V N 0.151 120.115 119.914 0.083 0.000 2.231 719 V HA -0.377 3.744 4.120 0.001 0.000 0.248 719 V C 2.701 178.835 176.094 0.068 0.000 1.054 719 V CA 2.326 64.628 62.300 0.003 0.000 1.015 719 V CB -0.548 31.219 31.823 -0.093 0.000 0.638 719 V HN 0.480 nan 8.190 nan 0.000 0.444 720 K N -0.463 119.976 120.400 0.066 0.000 2.059 720 K HA -0.312 4.009 4.320 0.001 0.000 0.212 720 K C 2.256 178.899 176.600 0.073 0.000 1.050 720 K CA 2.185 58.511 56.287 0.066 0.000 0.927 720 K CB -0.250 32.283 32.500 0.054 0.000 0.714 720 K HN 0.197 nan 8.250 nan 0.000 0.447 721 K N 1.138 121.584 120.400 0.078 0.000 2.032 721 K HA -0.107 4.214 4.320 0.001 0.000 0.209 721 K C 1.896 178.550 176.600 0.091 0.000 1.048 721 K CA 1.285 57.617 56.287 0.076 0.000 0.927 721 K CB -0.426 32.123 32.500 0.082 0.000 0.712 721 K HN 0.092 nan 8.250 nan 0.000 0.441 722 L N 0.192 121.484 121.223 0.115 0.000 1.970 722 L HA -0.248 4.093 4.340 0.001 0.000 0.212 722 L C 2.600 179.572 176.870 0.170 0.000 1.071 722 L CA 1.399 56.331 54.840 0.155 0.000 0.751 722 L CB -0.331 41.826 42.059 0.163 0.000 0.889 722 L HN 0.231 nan 8.230 nan 0.000 0.432 723 R N -0.217 120.387 120.500 0.174 0.000 2.097 723 R HA -0.211 4.129 4.340 0.001 0.000 0.236 723 R C 2.174 178.504 176.300 0.051 0.000 1.135 723 R CA 1.716 57.874 56.100 0.096 0.000 0.934 723 R CB -1.135 29.209 30.300 0.073 0.000 0.846 723 R HN 0.445 nan 8.270 nan 0.000 0.431 724 A N 0.505 123.355 122.820 0.051 0.000 1.986 724 A HA -0.209 4.111 4.320 0.001 0.000 0.220 724 A C 2.368 179.976 177.584 0.039 0.000 1.171 724 A CA 2.209 54.268 52.037 0.037 0.000 0.640 724 A CB -0.523 18.499 19.000 0.036 0.000 0.811 724 A HN 0.446 nan 8.150 nan 0.000 0.451 725 S N -0.781 114.952 115.700 0.056 0.000 2.377 725 S HA 0.021 4.492 4.470 0.001 0.000 0.223 725 S C 1.824 176.456 174.600 0.053 0.000 1.030 725 S CA 1.092 59.326 58.200 0.056 0.000 0.970 725 S CB -0.390 62.855 63.200 0.074 0.000 0.830 725 S HN 0.467 nan 8.310 nan 0.000 0.473 726 L N 1.063 122.323 121.223 0.060 0.000 2.341 726 L HA 0.158 4.499 4.340 0.001 0.000 0.214 726 L C 0.005 176.878 176.870 0.005 0.000 1.115 726 L CA 0.539 55.405 54.840 0.043 0.000 0.820 726 L CB -0.152 41.933 42.059 0.044 0.000 0.944 726 L HN 0.307 nan 8.230 nan 0.000 0.452 727 D N 0.777 121.176 120.400 -0.003 0.000 2.736 727 D HA 0.594 5.235 4.640 0.001 0.000 0.293 727 D C 0.011 176.309 176.300 -0.004 0.000 1.241 727 D CA 0.229 54.219 54.000 -0.017 0.000 0.965 727 D CB 1.020 41.799 40.800 -0.034 0.000 0.992 727 D HN 0.151 nan 8.370 nan 0.000 0.510 728 A N 0.000 122.821 122.820 0.002 0.000 2.254 728 A HA 0.000 4.321 4.320 0.001 0.000 0.244 728 A CA 0.000 52.040 52.037 0.006 0.000 0.836 728 A CB 0.000 19.006 19.000 0.009 0.000 0.831 728 A HN 0.000 nan 8.150 nan 0.000 0.486