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 1d1a_1_A DATA FIRST_RESID 2 DATA SEQUENCE NPIHDRTSDY HKYLKVKQGD SDLFKLTVSD KRYIWYNPDP KERDSYECGE DATA SEQUENCE IVSETSDSFT FKTVDGQDRQ VKKDDANQRN PIKFDGVEDM SELSYLNEPA DATA SEQUENCE VFHNLRVRYN QDLIYTYSGL FLVAVNPFKR IPIYTQEMVD IFKGRRRNEV DATA SEQUENCE APHIFAISDV AYRSMLDDRQ NQSLLITGES GAGKTENTKK VIQYLASVAG DATA SEQUENCE RNQXXXXGVL EQQILQANPI LEAFGNAKTT RNNNSSRFGK FIEIQFNNAG DATA SEQUENCE FISGASIQSY LLEKSRVVFQ SETERNYHIF YQLLAGATAE EKKALHLAGP DATA SEQUENCE ESFNYLNQSG CVDIKGVSDS EEFKITRQAM DIVGFSQEEQ MSIFKIIAGI DATA SEQUENCE LHLGNIKFEK GAGEGAVLKD KTALNAASTV FGVNPSVLEK ALMEPRILAG DATA SEQUENCE RDLVAQHLNV EKSSSSRDAL VKALYGRLFL WLVKKINNVL CQERKAYFIG DATA SEQUENCE VLDISGFEIF KVNSFEQLCI NYTNEKLQQF FNHHMFKLEQ EEYLKEKINW DATA SEQUENCE XXXXFGLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRA XXXXXFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FPNRIIYADF DATA SEQUENCE VKRYYLLAPN VPRDAEDSQK ATDAVLKHLN IDPEQYRFGI TKIFFRAGQL DATA SEQUENCE ARIEEARE 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.496 175.510 -0.023 0.000 1.280 2 N CA 0.000 53.055 53.050 0.009 0.000 0.885 2 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 3 P HA -0.161 nan 4.420 nan 0.000 0.219 3 P C 1.574 178.847 177.300 -0.045 0.000 1.151 3 P CA 0.903 63.995 63.100 -0.014 0.000 0.850 3 P CB 0.234 31.918 31.700 -0.027 0.000 0.784 4 I N -1.352 118.981 120.570 -0.395 0.000 2.286 4 I HA -0.205 3.966 4.170 0.003 0.000 0.248 4 I C 2.088 178.096 176.117 -0.181 0.000 1.115 4 I CA 1.513 62.471 61.300 -0.570 0.000 1.392 4 I CB -1.383 36.099 38.000 -0.864 0.000 1.065 4 I HN 0.150 nan 8.210 nan 0.000 0.418 5 H N -2.010 117.131 119.070 0.118 0.000 2.582 5 H HA 0.113 4.670 4.556 0.003 0.000 0.269 5 H C 0.595 175.920 175.328 -0.005 0.000 0.962 5 H CA 0.111 56.211 56.048 0.088 0.000 1.230 5 H CB 0.059 29.832 29.762 0.018 0.000 1.445 5 H HN 0.089 nan 8.280 nan 0.000 0.528 6 D N 1.565 122.007 120.400 0.070 0.000 2.508 6 D HA -0.009 4.632 4.640 0.003 0.000 0.224 6 D C 0.821 176.986 176.300 -0.225 0.000 1.171 6 D CA -0.230 53.751 54.000 -0.032 0.000 1.006 6 D CB 0.191 41.008 40.800 0.029 0.000 1.073 6 D HN 0.051 nan 8.370 nan 0.000 0.513 7 R N 1.439 121.639 120.500 -0.500 0.000 2.388 7 R HA -0.128 4.214 4.340 0.003 0.000 0.233 7 R C 1.606 177.760 176.300 -0.244 0.000 1.156 7 R CA 1.272 56.971 56.100 -0.668 0.000 1.036 7 R CB -1.381 28.681 30.300 -0.396 0.000 0.847 7 R HN 0.525 nan 8.270 nan 0.000 0.483 8 T N -2.767 111.713 114.554 -0.124 0.000 3.037 8 T HA 0.046 4.398 4.350 0.003 0.000 0.251 8 T C 0.943 175.643 174.700 -0.001 0.000 1.079 8 T CA 0.095 62.164 62.100 -0.051 0.000 1.067 8 T CB 0.056 68.901 68.868 -0.038 0.000 0.948 8 T HN 0.196 nan 8.240 nan 0.000 0.496 9 S N 1.675 117.411 115.700 0.060 0.000 2.576 9 S HA 0.139 4.610 4.470 0.003 0.000 0.272 9 S C 0.474 175.130 174.600 0.094 0.000 1.352 9 S CA -0.409 57.856 58.200 0.109 0.000 1.021 9 S CB 0.569 63.876 63.200 0.178 0.000 0.887 9 S HN 0.128 nan 8.310 nan 0.000 0.542 10 D N 0.047 120.498 120.400 0.085 0.000 2.178 10 D HA -0.084 4.558 4.640 0.003 0.000 0.201 10 D C 1.390 177.758 176.300 0.112 0.000 0.980 10 D CA 1.301 55.322 54.000 0.034 0.000 0.842 10 D CB -0.453 40.493 40.800 0.243 0.000 0.948 10 D HN 0.767 nan 8.370 nan 0.000 0.472 11 Y N 0.720 121.068 120.300 0.079 0.000 2.128 11 Y HA -0.286 4.265 4.550 0.003 0.000 0.284 11 Y C 2.366 178.247 175.900 -0.032 0.000 1.154 11 Y CA 1.845 59.967 58.100 0.037 0.000 1.149 11 Y CB -0.214 38.217 38.460 -0.048 0.000 0.976 11 Y HN 0.151 nan 8.280 nan 0.000 0.505 12 H N -0.229 118.834 119.070 -0.013 0.000 2.357 12 H HA -0.114 4.443 4.556 0.003 0.000 0.301 12 H C 2.158 177.372 175.328 -0.190 0.000 1.082 12 H CA 1.748 57.724 56.048 -0.120 0.000 1.342 12 H CB 0.010 29.779 29.762 0.011 0.000 1.389 12 H HN 0.232 nan 8.280 nan 0.000 0.511 13 K N 0.694 121.031 120.400 -0.104 0.000 1.991 13 K HA -0.187 4.135 4.320 0.003 0.000 0.212 13 K C 1.666 178.074 176.600 -0.320 0.000 1.049 13 K CA 1.651 57.751 56.287 -0.311 0.000 0.932 13 K CB -0.394 31.726 32.500 -0.635 0.000 0.717 13 K HN 0.164 nan 8.250 nan 0.000 0.441 14 Y N -0.551 119.702 120.300 -0.079 0.000 2.517 14 Y HA 0.220 4.772 4.550 0.003 0.000 0.281 14 Y C 1.436 177.243 175.900 -0.155 0.000 1.125 14 Y CA 0.409 58.445 58.100 -0.106 0.000 1.283 14 Y CB 0.335 38.749 38.460 -0.075 0.000 1.042 14 Y HN -0.004 nan 8.280 nan 0.000 0.547 15 L N -1.355 119.795 121.223 -0.122 0.000 2.749 15 L HA 0.198 4.540 4.340 0.003 0.000 0.242 15 L C 0.250 176.953 176.870 -0.278 0.000 1.103 15 L CA 0.145 54.856 54.840 -0.216 0.000 0.906 15 L CB 0.363 42.242 42.059 -0.301 0.000 1.228 15 L HN -0.265 nan 8.230 nan 0.000 0.517 16 K N 0.556 120.768 120.400 -0.314 0.000 2.281 16 K HA 0.508 4.830 4.320 0.003 0.000 0.242 16 K C -0.716 175.824 176.600 -0.099 0.000 0.971 16 K CA -0.794 55.361 56.287 -0.220 0.000 0.834 16 K CB 2.989 35.313 32.500 -0.294 0.000 1.181 16 K HN -0.358 nan 8.250 nan 0.000 0.435 17 V N 2.337 122.220 119.914 -0.051 0.000 2.455 17 V HA 0.074 4.196 4.120 0.003 0.000 0.273 17 V C 0.756 176.852 176.094 0.003 0.000 1.045 17 V CA -0.379 61.907 62.300 -0.024 0.000 0.976 17 V CB 0.605 32.422 31.823 -0.011 0.000 0.993 17 V HN 0.547 nan 8.190 nan 0.000 0.475 18 K N 4.544 124.945 120.400 0.002 0.000 2.489 18 K HA 0.115 4.437 4.320 0.003 0.000 0.278 18 K C -0.126 176.486 176.600 0.019 0.000 1.000 18 K CA 0.152 56.450 56.287 0.018 0.000 1.012 18 K CB 0.397 32.895 32.500 -0.004 0.000 0.903 18 K HN 0.712 nan 8.250 nan 0.000 0.485 19 Q N 0.915 120.732 119.800 0.029 0.000 2.348 19 Q HA 0.512 4.854 4.340 0.003 0.000 0.271 19 Q C -0.141 175.859 176.000 0.001 0.000 1.067 19 Q CA -1.044 54.770 55.803 0.018 0.000 0.839 19 Q CB 2.087 30.845 28.738 0.033 0.000 1.354 19 Q HN 0.712 nan 8.270 nan 0.000 0.447 20 G N -0.306 108.492 108.800 -0.003 0.000 2.537 20 G HA2 0.140 4.102 3.960 0.003 0.000 0.323 20 G HA3 0.140 4.102 3.960 0.003 0.000 0.323 20 G C -0.416 174.479 174.900 -0.008 0.000 1.207 20 G CA -0.461 44.635 45.100 -0.008 0.000 0.976 20 G HN 0.655 nan 8.290 nan 0.000 0.487 21 D N -0.231 120.163 120.400 -0.011 0.000 2.358 21 D HA 0.023 4.665 4.640 0.003 0.000 0.241 21 D C 0.590 176.885 176.300 -0.009 0.000 1.094 21 D CA 0.311 54.305 54.000 -0.010 0.000 0.907 21 D CB 0.060 40.853 40.800 -0.012 0.000 0.893 21 D HN 0.173 nan 8.370 nan 0.000 0.528 22 S N -0.294 115.400 115.700 -0.009 0.000 2.578 22 S HA 0.273 4.744 4.470 0.003 0.000 0.283 22 S C 0.275 174.866 174.600 -0.015 0.000 1.195 22 S CA -0.757 57.436 58.200 -0.011 0.000 1.050 22 S CB 2.081 65.274 63.200 -0.012 0.000 1.012 22 S HN 0.005 nan 8.310 nan 0.000 0.511 23 D N -0.070 120.319 120.400 -0.018 0.000 2.502 23 D HA 0.217 4.859 4.640 0.003 0.000 0.232 23 D C -0.195 176.078 176.300 -0.045 0.000 1.137 23 D CA -0.175 53.810 54.000 -0.026 0.000 0.827 23 D CB 0.122 40.913 40.800 -0.015 0.000 1.141 23 D HN 0.357 nan 8.370 nan 0.000 0.517 24 L N 1.362 122.561 121.223 -0.041 0.000 2.706 24 L HA -0.100 4.241 4.340 0.003 0.000 0.282 24 L C 1.695 178.518 176.870 -0.079 0.000 1.219 24 L CA 0.378 55.184 54.840 -0.055 0.000 0.935 24 L CB -0.139 41.893 42.059 -0.044 0.000 1.204 24 L HN 0.187 nan 8.230 nan 0.000 0.491 25 F N 3.128 123.010 119.950 -0.113 0.000 2.661 25 F HA 0.006 4.535 4.527 0.003 0.000 0.298 25 F C 2.124 177.873 175.800 -0.086 0.000 1.137 25 F CA 1.057 58.976 58.000 -0.136 0.000 1.454 25 F CB -0.763 38.106 39.000 -0.218 0.000 1.103 25 F HN 0.720 nan 8.300 nan 0.000 0.577 26 K N 0.361 120.717 120.400 -0.073 0.000 2.021 26 K HA 0.288 4.610 4.320 0.003 0.000 0.205 26 K C 2.513 179.094 176.600 -0.033 0.000 1.047 26 K CA 1.620 57.877 56.287 -0.050 0.000 0.943 26 K CB -1.596 30.875 32.500 -0.048 0.000 0.725 26 K HN 1.139 nan 8.250 nan 0.000 0.439 27 L N 1.999 123.203 121.223 -0.031 0.000 2.013 27 L HA -0.224 4.118 4.340 0.003 0.000 0.212 27 L C 2.927 179.788 176.870 -0.015 0.000 1.073 27 L CA 3.604 58.432 54.840 -0.019 0.000 0.753 27 L CB -2.369 39.678 42.059 -0.019 0.000 0.890 27 L HN 0.660 nan 8.230 nan 0.000 0.432 28 T N 0.028 114.567 114.554 -0.025 0.000 2.597 28 T HA -0.060 4.292 4.350 0.003 0.000 0.267 28 T C 1.291 175.986 174.700 -0.009 0.000 1.053 28 T CA 1.771 63.859 62.100 -0.020 0.000 1.165 28 T CB -1.743 67.100 68.868 -0.042 0.000 0.863 28 T HN 1.820 nan 8.240 nan 0.000 0.427 29 V N 0.794 120.699 119.914 -0.015 0.000 2.923 29 V HA 0.223 4.344 4.120 0.003 0.000 0.286 29 V C -0.075 176.023 176.094 0.007 0.000 1.376 29 V CA 0.101 62.397 62.300 -0.006 0.000 1.423 29 V CB -0.101 31.716 31.823 -0.011 0.000 0.865 29 V HN 0.562 nan 8.190 nan 0.000 0.514 30 S N 2.037 117.743 115.700 0.010 0.000 2.537 30 S HA 0.633 5.104 4.470 0.003 0.000 0.271 30 S C 0.327 174.940 174.600 0.022 0.000 1.148 30 S CA 0.110 58.324 58.200 0.024 0.000 0.868 30 S CB 1.652 64.877 63.200 0.041 0.000 1.115 30 S HN 1.524 nan 8.310 nan 0.000 0.461 31 D N 2.374 122.794 120.400 0.033 0.000 2.349 31 D HA 0.260 4.902 4.640 0.003 0.000 0.224 31 D C 0.564 176.887 176.300 0.038 0.000 1.029 31 D CA 0.740 54.758 54.000 0.031 0.000 0.879 31 D CB -0.086 40.732 40.800 0.030 0.000 0.906 31 D HN 0.530 nan 8.370 nan 0.000 0.528 32 K N -0.879 119.552 120.400 0.052 0.000 2.349 32 K HA 0.686 5.007 4.320 0.003 0.000 0.243 32 K C -0.320 176.286 176.600 0.010 0.000 1.058 32 K CA -0.920 55.407 56.287 0.067 0.000 0.871 32 K CB 2.121 34.692 32.500 0.118 0.000 1.337 32 K HN 0.233 nan 8.250 nan 0.000 0.469 33 R N 0.625 121.141 120.500 0.027 0.000 2.473 33 R HA 0.319 4.661 4.340 0.003 0.000 0.303 33 R C -1.270 175.028 176.300 -0.004 0.000 1.002 33 R CA -0.732 55.329 56.100 -0.066 0.000 0.884 33 R CB 0.520 30.804 30.300 -0.027 0.000 1.173 33 R HN 0.668 nan 8.270 nan 0.000 0.464 34 Y N 1.910 122.161 120.300 -0.081 0.000 2.699 34 Y HA 0.783 5.335 4.550 0.003 0.000 0.326 34 Y C -0.400 175.332 175.900 -0.281 0.000 1.141 34 Y CA -1.515 56.489 58.100 -0.160 0.000 1.246 34 Y CB 1.200 39.569 38.460 -0.153 0.000 1.426 34 Y HN 0.537 nan 8.280 nan 0.000 0.559 35 I N -0.879 119.602 120.570 -0.149 0.000 3.195 35 I HA 0.361 4.533 4.170 0.003 0.000 0.313 35 I C -1.969 173.860 176.117 -0.479 0.000 1.237 35 I CA -1.484 59.599 61.300 -0.362 0.000 0.963 35 I CB 2.354 40.200 38.000 -0.255 0.000 1.278 35 I HN 0.797 nan 8.210 nan 0.000 0.460 36 W N 5.027 126.296 121.300 -0.051 0.000 2.291 36 W HA 0.431 5.093 4.660 0.003 0.000 0.312 36 W C -0.839 175.760 176.519 0.133 0.000 1.061 36 W CA -0.536 56.811 57.345 0.003 0.000 1.296 36 W CB 0.830 30.248 29.460 -0.070 0.000 1.223 36 W HN 0.317 nan 8.180 nan 0.000 0.421 37 Y N 0.584 121.050 120.300 0.277 0.000 2.633 37 Y HA 0.568 5.119 4.550 0.003 0.000 0.339 37 Y C -0.726 175.225 175.900 0.084 0.000 1.045 37 Y CA -1.854 56.299 58.100 0.089 0.000 1.098 37 Y CB 1.222 39.548 38.460 -0.223 0.000 1.296 37 Y HN 0.288 nan 8.280 nan 0.000 0.494 38 N N 2.752 121.436 118.700 -0.028 0.000 2.446 38 N HA 0.244 4.985 4.740 0.003 0.000 0.265 38 N C -2.459 173.131 175.510 0.133 0.000 0.975 38 N CA -1.729 51.205 53.050 -0.194 0.000 0.928 38 N CB 1.735 40.083 38.487 -0.232 0.000 1.160 38 N HN 0.510 nan 8.380 nan 0.000 0.495 39 P HA 0.010 nan 4.420 nan 0.000 0.252 39 P C -0.801 176.569 177.300 0.117 0.000 1.265 39 P CA 0.967 64.210 63.100 0.239 0.000 0.775 39 P CB -0.035 31.751 31.700 0.144 0.000 1.128 40 D N -1.078 119.352 120.400 0.049 0.000 2.087 40 D HA 0.059 4.701 4.640 0.003 0.000 0.161 40 D C -2.592 173.691 176.300 -0.028 0.000 1.196 40 D CA -1.080 52.929 54.000 0.015 0.000 0.916 40 D CB 0.300 41.104 40.800 0.007 0.000 2.216 40 D HN -0.248 nan 8.370 nan 0.000 0.512 41 P HA -0.065 nan 4.420 nan 0.000 0.236 41 P C 1.057 178.330 177.300 -0.045 0.000 1.172 41 P CA 0.395 63.473 63.100 -0.035 0.000 0.759 41 P CB 0.335 32.030 31.700 -0.008 0.000 0.843 42 K N 0.858 121.235 120.400 -0.038 0.000 1.995 42 K HA -0.057 4.265 4.320 0.003 0.000 0.207 42 K C 1.063 177.629 176.600 -0.057 0.000 1.041 42 K CA 0.979 57.243 56.287 -0.039 0.000 0.942 42 K CB -0.568 31.916 32.500 -0.027 0.000 0.731 42 K HN 0.432 nan 8.250 nan 0.000 0.439 43 E N 0.692 120.852 120.200 -0.067 0.000 1.941 43 E HA 0.261 4.613 4.350 0.003 0.000 0.275 43 E C 0.664 177.179 176.600 -0.142 0.000 1.113 43 E CA -0.153 56.194 56.400 -0.088 0.000 0.878 43 E CB 0.834 30.490 29.700 -0.074 0.000 1.070 43 E HN 0.056 nan 8.360 nan 0.000 0.399 44 R N 3.571 123.978 120.500 -0.155 0.000 2.240 44 R HA -0.039 4.303 4.340 0.003 0.000 0.203 44 R C 0.968 177.071 176.300 -0.328 0.000 1.011 44 R CA 1.143 57.095 56.100 -0.247 0.000 1.007 44 R CB -0.624 29.577 30.300 -0.166 0.000 0.911 44 R HN 0.492 nan 8.270 nan 0.000 0.468 45 D N -0.002 120.289 120.400 -0.181 0.000 2.349 45 D HA 0.094 4.736 4.640 0.003 0.000 0.224 45 D C -0.251 176.027 176.300 -0.037 0.000 1.029 45 D CA 0.469 54.421 54.000 -0.079 0.000 0.879 45 D CB 0.340 41.068 40.800 -0.121 0.000 0.906 45 D HN 0.300 nan 8.370 nan 0.000 0.528 46 S N -0.448 115.150 115.700 -0.169 0.000 2.578 46 S HA 0.571 5.043 4.470 0.003 0.000 0.283 46 S C -0.680 173.797 174.600 -0.206 0.000 1.195 46 S CA -0.371 57.775 58.200 -0.090 0.000 1.050 46 S CB 1.023 64.168 63.200 -0.093 0.000 1.012 46 S HN 0.053 nan 8.310 nan 0.000 0.511 47 Y N 0.075 120.284 120.300 -0.151 0.000 2.624 47 Y HA 0.404 4.955 4.550 0.003 0.000 0.334 47 Y C -0.117 175.665 175.900 -0.196 0.000 1.155 47 Y CA -1.067 56.915 58.100 -0.196 0.000 1.046 47 Y CB 1.479 39.862 38.460 -0.128 0.000 1.316 47 Y HN 0.454 nan 8.280 nan 0.000 0.457 48 E N 0.267 120.320 120.200 -0.244 0.000 2.392 48 E HA 0.338 4.690 4.350 0.003 0.000 0.269 48 E C -1.458 175.122 176.600 -0.033 0.000 0.924 48 E CA -0.871 55.423 56.400 -0.177 0.000 0.784 48 E CB 2.941 32.495 29.700 -0.244 0.000 1.292 48 E HN 0.638 nan 8.360 nan 0.000 0.447 49 C N 1.528 120.883 119.300 0.091 0.000 2.281 49 C HA 0.601 5.063 4.460 0.003 0.000 0.336 49 C C 0.586 175.560 174.990 -0.027 0.000 1.217 49 C CA -0.164 58.775 59.018 -0.132 0.000 1.730 49 C CB -1.506 26.010 27.740 -0.373 0.000 2.338 49 C HN 0.632 nan 8.230 nan 0.000 0.521 50 G N 5.088 113.907 108.800 0.030 0.000 2.404 50 G HA2 0.357 4.319 3.960 0.003 0.000 0.316 50 G HA3 0.357 4.319 3.960 0.003 0.000 0.316 50 G C -0.262 174.590 174.900 -0.081 0.000 1.074 50 G CA -0.187 44.906 45.100 -0.012 0.000 0.989 50 G HN 0.951 nan 8.290 nan 0.000 0.430 51 E N 3.226 123.373 120.200 -0.088 0.000 2.493 51 E HA 0.032 4.384 4.350 0.003 0.000 0.255 51 E C 0.189 176.869 176.600 0.133 0.000 0.999 51 E CA -0.242 56.146 56.400 -0.019 0.000 0.934 51 E CB 0.361 29.990 29.700 -0.118 0.000 0.940 51 E HN 0.394 nan 8.360 nan 0.000 0.473 52 I N 4.434 125.110 120.570 0.178 0.000 2.588 52 I HA 0.043 4.214 4.170 0.003 0.000 0.283 52 I C 1.143 177.335 176.117 0.124 0.000 1.119 52 I CA 0.287 61.693 61.300 0.177 0.000 1.419 52 I CB 1.211 39.285 38.000 0.124 0.000 1.394 52 I HN 0.710 nan 8.210 nan 0.000 0.562 53 V N 3.903 123.872 119.914 0.092 0.000 3.359 53 V HA 0.450 4.571 4.120 0.003 0.000 0.245 53 V C 0.854 176.967 176.094 0.032 0.000 1.247 53 V CA 1.306 63.637 62.300 0.052 0.000 1.145 53 V CB -0.139 31.702 31.823 0.030 0.000 0.906 53 V HN 0.742 nan 8.190 nan 0.000 0.464 54 S N 0.560 116.275 115.700 0.024 0.000 2.541 54 S HA 0.745 5.217 4.470 0.003 0.000 0.280 54 S C -0.532 174.075 174.600 0.012 0.000 1.112 54 S CA -0.216 57.990 58.200 0.009 0.000 0.925 54 S CB 1.116 64.309 63.200 -0.011 0.000 1.067 54 S HN 0.658 nan 8.310 nan 0.000 0.479 55 E N -0.117 120.090 120.200 0.012 0.000 2.281 55 E HA 0.793 5.145 4.350 0.003 0.000 0.262 55 E C 0.356 176.959 176.600 0.005 0.000 0.933 55 E CA -0.643 55.765 56.400 0.013 0.000 0.809 55 E CB 1.599 31.310 29.700 0.019 0.000 1.242 55 E HN 0.579 nan 8.360 nan 0.000 0.418 56 T N -2.109 112.448 114.554 0.005 0.000 1.944 56 T HA 0.555 4.907 4.350 0.003 0.000 0.177 56 T C 1.151 175.855 174.700 0.007 0.000 0.694 56 T CA 0.669 62.770 62.100 0.002 0.000 1.337 56 T CB -0.310 68.555 68.868 -0.005 0.000 3.196 56 T HN 0.629 nan 8.240 nan 0.000 0.405 57 S N -0.524 115.180 115.700 0.006 0.000 2.546 57 S HA 0.373 4.845 4.470 0.003 0.000 0.282 57 S C 1.200 175.806 174.600 0.010 0.000 1.074 57 S CA 0.886 59.091 58.200 0.009 0.000 1.254 57 S CB -0.021 63.184 63.200 0.008 0.000 1.103 57 S HN 0.637 nan 8.310 nan 0.000 0.589 58 D N 0.155 120.560 120.400 0.008 0.000 2.995 58 D HA 0.472 5.114 4.640 0.003 0.000 0.289 58 D C 1.681 177.987 176.300 0.011 0.000 1.116 58 D CA 1.508 55.513 54.000 0.008 0.000 0.994 58 D CB 0.165 40.967 40.800 0.004 0.000 1.209 58 D HN 0.457 nan 8.370 nan 0.000 0.458 59 S N -1.162 114.544 115.700 0.009 0.000 4.041 59 S HA 0.679 5.151 4.470 0.003 0.000 0.194 59 S C 0.029 174.644 174.600 0.025 0.000 0.942 59 S CA 0.236 58.445 58.200 0.015 0.000 1.642 59 S CB 0.088 63.288 63.200 -0.000 0.000 0.665 59 S HN 0.835 nan 8.310 nan 0.000 0.698 60 F N -0.417 119.546 119.950 0.021 0.000 2.616 60 F HA 0.566 5.094 4.527 0.003 0.000 0.303 60 F C -0.275 175.524 175.800 -0.001 0.000 0.953 60 F CA -0.625 57.399 58.000 0.040 0.000 1.059 60 F CB -0.291 38.766 39.000 0.095 0.000 1.340 60 F HN 1.158 nan 8.300 nan 0.000 0.608 61 T N 1.266 115.794 114.554 -0.044 0.000 2.909 61 T HA 0.961 5.313 4.350 0.003 0.000 0.289 61 T C -0.667 173.990 174.700 -0.072 0.000 1.005 61 T CA 0.113 62.112 62.100 -0.169 0.000 1.084 61 T CB 0.652 69.434 68.868 -0.143 0.000 0.975 61 T HN 2.134 nan 8.240 nan 0.000 0.509 62 F N -0.341 119.565 119.950 -0.073 0.000 2.631 62 F HA 0.743 5.271 4.527 0.003 0.000 0.308 62 F C -0.785 174.944 175.800 -0.120 0.000 1.097 62 F CA -2.100 55.852 58.000 -0.080 0.000 0.952 62 F CB 1.451 40.407 39.000 -0.073 0.000 1.307 62 F HN 0.488 nan 8.300 nan 0.000 0.450 63 K N 1.552 122.073 120.400 0.202 0.000 2.172 63 K HA 0.537 4.859 4.320 0.003 0.000 0.276 63 K C -0.035 176.633 176.600 0.114 0.000 1.013 63 K CA -0.216 56.124 56.287 0.090 0.000 0.913 63 K CB 1.215 33.734 32.500 0.032 0.000 1.055 63 K HN 0.971 nan 8.250 nan 0.000 0.461 64 T N -0.423 114.159 114.554 0.047 0.000 2.849 64 T HA 0.249 4.601 4.350 0.003 0.000 0.284 64 T C 1.521 176.303 174.700 0.137 0.000 1.004 64 T CA -0.222 61.913 62.100 0.057 0.000 1.021 64 T CB 0.992 69.853 68.868 -0.011 0.000 1.013 64 T HN 0.394 nan 8.240 nan 0.000 0.527 65 V N 0.216 120.278 119.914 0.248 0.000 2.913 65 V HA 0.013 4.134 4.120 0.003 0.000 0.260 65 V C 2.178 178.336 176.094 0.106 0.000 1.098 65 V CA 2.289 64.678 62.300 0.149 0.000 1.121 65 V CB -1.087 30.830 31.823 0.156 0.000 0.714 65 V HN 0.977 nan 8.190 nan 0.000 0.487 66 D N -0.548 119.926 120.400 0.124 0.000 2.183 66 D HA 0.216 4.858 4.640 0.003 0.000 0.203 66 D C 1.776 178.106 176.300 0.049 0.000 0.969 66 D CA 1.980 56.030 54.000 0.083 0.000 0.842 66 D CB 0.305 41.159 40.800 0.090 0.000 0.957 66 D HN 0.669 nan 8.370 nan 0.000 0.484 67 G N -2.001 106.824 108.800 0.042 0.000 2.391 67 G HA2 -0.220 3.741 3.960 0.003 0.000 0.204 67 G HA3 -0.220 3.741 3.960 0.003 0.000 0.204 67 G C 0.759 175.661 174.900 0.004 0.000 1.012 67 G CA 0.546 45.658 45.100 0.020 0.000 0.651 67 G HN 0.707 nan 8.290 nan 0.000 0.494 68 Q N 0.353 120.154 119.800 0.002 0.000 3.067 68 Q HA 0.462 4.803 4.340 0.003 0.000 0.206 68 Q C 0.436 176.403 176.000 -0.056 0.000 1.160 68 Q CA 2.002 57.789 55.803 -0.027 0.000 1.181 68 Q CB -0.485 28.237 28.738 -0.028 0.000 1.354 68 Q HN 2.285 nan 8.270 nan 0.000 0.675 69 D N -1.893 118.444 120.400 -0.105 0.000 2.970 69 D HA 0.721 5.362 4.640 0.003 0.000 0.230 69 D C -0.130 175.999 176.300 -0.285 0.000 1.276 69 D CA 0.409 54.301 54.000 -0.180 0.000 0.910 69 D CB 0.754 41.475 40.800 -0.132 0.000 1.590 69 D HN 1.071 nan 8.370 nan 0.000 0.551 70 R N -0.849 119.320 120.500 -0.552 0.000 3.228 70 R HA 1.067 5.409 4.340 0.003 0.000 0.229 70 R C 0.110 175.935 176.300 -0.792 0.000 1.583 70 R CA 0.478 56.202 56.100 -0.626 0.000 1.035 70 R CB -0.143 29.802 30.300 -0.593 0.000 1.696 70 R HN 1.937 nan 8.270 nan 0.000 0.523 71 Q N -1.476 117.954 119.800 -0.616 0.000 2.320 71 Q HA 0.792 5.134 4.340 0.003 0.000 0.272 71 Q C -0.872 175.018 176.000 -0.184 0.000 1.023 71 Q CA -0.289 55.273 55.803 -0.402 0.000 0.855 71 Q CB 0.813 29.421 28.738 -0.217 0.000 1.367 71 Q HN 2.408 nan 8.270 nan 0.000 0.406 72 V N -1.037 118.866 119.914 -0.018 0.000 3.074 72 V HA 1.053 5.175 4.120 0.003 0.000 0.314 72 V C 0.254 176.395 176.094 0.079 0.000 1.117 72 V CA -0.621 61.755 62.300 0.126 0.000 1.014 72 V CB 1.402 33.429 31.823 0.339 0.000 1.057 72 V HN 1.423 nan 8.190 nan 0.000 0.438 73 K N 1.491 121.935 120.400 0.073 0.000 2.185 73 K HA 0.456 4.778 4.320 0.003 0.000 0.271 73 K C 0.941 177.572 176.600 0.051 0.000 1.013 73 K CA 0.230 56.546 56.287 0.048 0.000 0.943 73 K CB 0.662 33.185 32.500 0.039 0.000 0.998 73 K HN 1.195 nan 8.250 nan 0.000 0.468 74 K N -0.244 120.176 120.400 0.033 0.000 2.148 74 K HA -0.123 4.199 4.320 0.003 0.000 0.204 74 K C 0.361 176.972 176.600 0.018 0.000 1.050 74 K CA 1.882 58.182 56.287 0.022 0.000 0.942 74 K CB 0.227 32.736 32.500 0.013 0.000 0.724 74 K HN 0.608 nan 8.250 nan 0.000 0.446 75 D N 0.688 121.102 120.400 0.024 0.000 2.319 75 D HA 0.013 4.655 4.640 0.003 0.000 0.230 75 D C 0.084 176.405 176.300 0.034 0.000 1.094 75 D CA 0.373 54.388 54.000 0.024 0.000 0.856 75 D CB 0.373 41.186 40.800 0.021 0.000 0.915 75 D HN 0.223 nan 8.370 nan 0.000 0.517 76 D N -0.714 119.713 120.400 0.045 0.000 2.500 76 D HA 0.183 4.824 4.640 0.003 0.000 0.217 76 D C 0.211 176.558 176.300 0.079 0.000 1.159 76 D CA -0.051 53.986 54.000 0.062 0.000 0.828 76 D CB 0.585 41.427 40.800 0.070 0.000 1.039 76 D HN 0.053 nan 8.370 nan 0.000 0.512 77 A N 0.980 123.835 122.820 0.057 0.000 2.450 77 A HA 0.269 4.591 4.320 0.003 0.000 0.255 77 A C 0.341 177.944 177.584 0.031 0.000 1.096 77 A CA -0.100 51.963 52.037 0.043 0.000 0.778 77 A CB 0.213 19.211 19.000 -0.003 0.000 1.031 77 A HN -0.067 nan 8.150 nan 0.000 0.494 78 N N 2.820 121.567 118.700 0.077 0.000 3.091 78 N HA 0.103 4.844 4.740 0.003 0.000 0.255 78 N C -0.665 174.888 175.510 0.072 0.000 1.204 78 N CA 0.048 53.184 53.050 0.143 0.000 0.990 78 N CB 0.872 39.534 38.487 0.293 0.000 1.260 78 N HN 0.700 nan 8.380 nan 0.000 0.502 79 Q N 0.807 120.528 119.800 -0.131 0.000 2.289 79 Q HA 0.050 4.391 4.340 0.003 0.000 0.273 79 Q C 0.421 176.311 176.000 -0.184 0.000 1.029 79 Q CA 0.333 55.904 55.803 -0.386 0.000 0.896 79 Q CB 1.550 29.694 28.738 -0.991 0.000 1.182 79 Q HN 0.256 nan 8.270 nan 0.000 0.385 80 R N 3.239 123.557 120.500 -0.302 0.000 2.442 80 R HA 0.049 4.391 4.340 0.003 0.000 0.291 80 R C -0.004 176.396 176.300 0.166 0.000 1.069 80 R CA -0.286 55.670 56.100 -0.239 0.000 1.022 80 R CB 0.518 30.357 30.300 -0.768 0.000 0.976 80 R HN 0.602 nan 8.270 nan 0.000 0.443 81 N N 3.712 122.575 118.700 0.272 0.000 2.288 81 N HA 0.147 4.888 4.740 0.003 0.000 0.237 81 N C -2.357 173.243 175.510 0.149 0.000 1.311 81 N CA -0.920 52.204 53.050 0.124 0.000 0.909 81 N CB 0.344 38.779 38.487 -0.086 0.000 1.167 81 N HN 0.443 nan 8.380 nan 0.000 0.476 82 P HA 0.184 nan 4.420 nan 0.000 0.276 82 P C 1.027 178.518 177.300 0.317 0.000 1.230 82 P CA -0.113 63.159 63.100 0.287 0.000 0.776 82 P CB 0.577 32.476 31.700 0.332 0.000 0.888 83 I N 2.034 122.691 120.570 0.146 0.000 2.381 83 I HA -0.313 3.859 4.170 0.003 0.000 0.255 83 I C 2.216 178.400 176.117 0.113 0.000 1.140 83 I CA 1.485 62.874 61.300 0.149 0.000 1.404 83 I CB -0.596 37.472 38.000 0.114 0.000 1.075 83 I HN 0.558 nan 8.210 nan 0.000 0.433 84 K N 1.857 122.271 120.400 0.024 0.000 2.113 84 K HA -0.212 4.109 4.320 0.003 0.000 0.208 84 K C 2.003 178.524 176.600 -0.131 0.000 1.047 84 K CA 1.860 58.075 56.287 -0.119 0.000 0.928 84 K CB -0.310 32.016 32.500 -0.289 0.000 0.716 84 K HN 0.258 nan 8.250 nan 0.000 0.446 85 F N 1.890 121.869 119.950 0.050 0.000 2.407 85 F HA -0.057 4.472 4.527 0.003 0.000 0.299 85 F C 0.452 176.295 175.800 0.072 0.000 1.097 85 F CA 0.218 58.252 58.000 0.057 0.000 1.422 85 F CB -0.202 38.831 39.000 0.055 0.000 1.067 85 F HN -0.061 nan 8.300 nan 0.000 0.539 86 D N 0.943 121.495 120.400 0.253 0.000 2.433 86 D HA 0.247 4.889 4.640 0.003 0.000 0.274 86 D C 1.257 177.603 176.300 0.077 0.000 1.344 86 D CA 1.312 55.414 54.000 0.171 0.000 0.989 86 D CB -0.021 40.895 40.800 0.193 0.000 1.116 86 D HN 0.437 nan 8.370 nan 0.000 0.533 87 G N 0.932 109.763 108.800 0.051 0.000 2.175 87 G HA2 -0.226 3.736 3.960 0.003 0.000 0.182 87 G HA3 -0.226 3.736 3.960 0.003 0.000 0.182 87 G C 0.434 175.363 174.900 0.048 0.000 1.003 87 G CA -0.124 44.986 45.100 0.018 0.000 0.666 87 G HN 0.715 nan 8.290 nan 0.000 0.506 88 V N -1.030 118.945 119.914 0.100 0.000 2.928 88 V HA 0.337 4.459 4.120 0.003 0.000 0.307 88 V C 1.407 177.561 176.094 0.099 0.000 1.105 88 V CA 1.216 63.587 62.300 0.119 0.000 1.223 88 V CB 0.779 32.720 31.823 0.197 0.000 0.930 88 V HN 0.404 nan 8.190 nan 0.000 0.499 89 E N 0.869 121.136 120.200 0.112 0.000 2.285 89 E HA -0.002 4.349 4.350 0.003 0.000 0.194 89 E C 0.133 176.841 176.600 0.179 0.000 0.997 89 E CA 0.909 57.377 56.400 0.113 0.000 0.845 89 E CB 0.196 29.972 29.700 0.127 0.000 0.782 89 E HN 0.876 nan 8.360 nan 0.000 0.491 90 D N -0.259 120.270 120.400 0.214 0.000 2.696 90 D HA 0.111 4.753 4.640 0.003 0.000 0.251 90 D C 0.803 177.217 176.300 0.191 0.000 1.188 90 D CA -0.293 53.862 54.000 0.259 0.000 0.876 90 D CB 1.208 42.167 40.800 0.266 0.000 1.334 90 D HN -0.145 nan 8.370 nan 0.000 0.540 91 M N 1.510 121.215 119.600 0.175 0.000 2.549 91 M HA -0.076 4.406 4.480 0.003 0.000 0.260 91 M C 1.487 177.859 176.300 0.121 0.000 1.076 91 M CA 0.522 55.902 55.300 0.133 0.000 1.090 91 M CB -0.403 32.267 32.600 0.116 0.000 1.418 91 M HN 0.172 nan 8.290 nan 0.000 0.486 92 S N 0.900 116.686 115.700 0.144 0.000 2.500 92 S HA -0.096 4.375 4.470 0.003 0.000 0.239 92 S C 1.553 176.212 174.600 0.097 0.000 0.989 92 S CA 0.896 59.168 58.200 0.121 0.000 0.951 92 S CB -0.294 62.981 63.200 0.127 0.000 0.759 92 S HN 0.558 nan 8.310 nan 0.000 0.523 93 E N 0.388 120.658 120.200 0.117 0.000 2.385 93 E HA 0.118 4.469 4.350 0.003 0.000 0.194 93 E C -0.091 176.557 176.600 0.080 0.000 1.013 93 E CA -0.014 56.471 56.400 0.142 0.000 0.866 93 E CB 0.069 29.897 29.700 0.214 0.000 0.832 93 E HN 0.478 nan 8.360 nan 0.000 0.500 94 L N 1.015 122.214 121.223 -0.041 0.000 2.426 94 L HA 0.033 4.375 4.340 0.003 0.000 0.271 94 L C 1.409 178.051 176.870 -0.379 0.000 1.169 94 L CA -0.364 54.278 54.840 -0.330 0.000 0.836 94 L CB 1.125 43.074 42.059 -0.183 0.000 1.112 94 L HN -0.014 nan 8.230 nan 0.000 0.465 95 S N 0.685 115.954 115.700 -0.719 0.000 2.325 95 S HA -0.021 4.450 4.470 0.003 0.000 0.214 95 S C 0.280 174.657 174.600 -0.371 0.000 1.031 95 S CA 0.718 58.567 58.200 -0.585 0.000 0.972 95 S CB -0.195 62.489 63.200 -0.860 0.000 0.908 95 S HN 0.399 nan 8.310 nan 0.000 0.453 96 Y N 1.152 121.349 120.300 -0.173 0.000 2.393 96 Y HA 0.485 5.037 4.550 0.003 0.000 0.338 96 Y C 0.865 176.741 175.900 -0.040 0.000 1.029 96 Y CA -0.801 57.256 58.100 -0.071 0.000 1.239 96 Y CB 0.340 38.776 38.460 -0.039 0.000 1.170 96 Y HN 0.137 nan 8.280 nan 0.000 0.515 97 L N 2.881 124.185 121.223 0.136 0.000 2.984 97 L HA 0.267 4.609 4.340 0.003 0.000 0.246 97 L C 0.312 177.235 176.870 0.088 0.000 1.268 97 L CA -0.648 54.245 54.840 0.089 0.000 1.054 97 L CB -2.093 40.007 42.059 0.070 0.000 1.393 97 L HN 0.777 nan 8.230 nan 0.000 0.532 98 N N -0.717 118.046 118.700 0.104 0.000 2.271 98 N HA -0.018 4.723 4.740 0.003 0.000 0.242 98 N C 0.831 176.355 175.510 0.023 0.000 1.276 98 N CA 0.927 54.020 53.050 0.072 0.000 0.846 98 N CB 0.290 38.832 38.487 0.091 0.000 0.958 98 N HN 0.631 nan 8.380 nan 0.000 0.425 99 E N -0.641 119.543 120.200 -0.028 0.000 2.152 99 E HA 0.013 4.365 4.350 0.003 0.000 0.195 99 E C -1.068 175.403 176.600 -0.215 0.000 0.934 99 E CA 0.050 56.409 56.400 -0.069 0.000 0.869 99 E CB -0.482 29.204 29.700 -0.024 0.000 0.842 99 E HN 0.478 nan 8.360 nan 0.000 0.472 100 P HA -0.130 nan 4.420 nan 0.000 0.218 100 P C 1.088 177.951 177.300 -0.728 0.000 1.149 100 P CA 1.502 64.031 63.100 -0.952 0.000 0.817 100 P CB 0.042 30.646 31.700 -1.827 0.000 0.785 101 A N -0.060 122.523 122.820 -0.394 0.000 1.902 101 A HA -0.128 4.194 4.320 0.003 0.000 0.217 101 A C 2.436 180.019 177.584 -0.002 0.000 1.181 101 A CA 1.966 53.980 52.037 -0.040 0.000 0.623 101 A CB -1.650 17.451 19.000 0.167 0.000 0.818 101 A HN 0.083 nan 8.150 nan 0.000 0.443 102 V N -1.362 118.538 119.914 -0.023 0.000 2.307 102 V HA -0.196 3.926 4.120 0.003 0.000 0.245 102 V C 2.271 178.363 176.094 -0.004 0.000 1.045 102 V CA 1.968 64.273 62.300 0.009 0.000 1.024 102 V CB -0.957 30.880 31.823 0.024 0.000 0.651 102 V HN 0.624 nan 8.190 nan 0.000 0.449 103 F N 0.996 120.836 119.950 -0.183 0.000 2.134 103 F HA -0.211 4.318 4.527 0.003 0.000 0.299 103 F C 2.426 178.126 175.800 -0.167 0.000 1.097 103 F CA 2.236 60.120 58.000 -0.192 0.000 1.264 103 F CB -0.594 38.251 39.000 -0.258 0.000 1.001 103 F HN 0.317 nan 8.300 nan 0.000 0.479 104 H N -0.026 118.817 119.070 -0.378 0.000 2.289 104 H HA -0.218 4.340 4.556 0.003 0.000 0.296 104 H C 2.182 177.361 175.328 -0.249 0.000 1.091 104 H CA 2.454 58.276 56.048 -0.376 0.000 1.274 104 H CB -0.750 28.848 29.762 -0.273 0.000 1.364 104 H HN 0.324 nan 8.280 nan 0.000 0.490 105 N N -0.393 118.201 118.700 -0.177 0.000 2.166 105 N HA -0.105 4.636 4.740 0.003 0.000 0.186 105 N C 1.975 177.354 175.510 -0.218 0.000 1.019 105 N CA 1.145 54.096 53.050 -0.164 0.000 0.856 105 N CB -0.235 38.249 38.487 -0.005 0.000 0.993 105 N HN 0.400 nan 8.380 nan 0.000 0.426 106 L N 0.009 121.080 121.223 -0.253 0.000 2.083 106 L HA -0.116 4.226 4.340 0.003 0.000 0.209 106 L C 2.683 179.363 176.870 -0.316 0.000 1.083 106 L CA 0.909 55.601 54.840 -0.246 0.000 0.752 106 L CB -0.353 41.562 42.059 -0.241 0.000 0.899 106 L HN 0.282 nan 8.230 nan 0.000 0.433 107 R N 0.037 120.200 120.500 -0.561 0.000 2.057 107 R HA -0.123 4.219 4.340 0.003 0.000 0.229 107 R C 2.207 178.346 176.300 -0.268 0.000 1.136 107 R CA 1.515 57.309 56.100 -0.510 0.000 0.952 107 R CB -0.308 29.487 30.300 -0.842 0.000 0.848 107 R HN 0.144 nan 8.270 nan 0.000 0.430 108 V N 1.889 121.586 119.914 -0.362 0.000 2.317 108 V HA -0.300 3.821 4.120 0.003 0.000 0.251 108 V C 2.571 178.585 176.094 -0.135 0.000 1.065 108 V CA 2.199 64.348 62.300 -0.252 0.000 1.049 108 V CB -0.565 31.072 31.823 -0.311 0.000 0.651 108 V HN 0.420 nan 8.190 nan 0.000 0.450 109 R N -1.523 118.904 120.500 -0.121 0.000 2.075 109 R HA -0.155 4.186 4.340 0.003 0.000 0.232 109 R C 2.329 178.602 176.300 -0.046 0.000 1.126 109 R CA 1.792 57.850 56.100 -0.071 0.000 0.963 109 R CB -0.479 29.785 30.300 -0.060 0.000 0.858 109 R HN 0.585 nan 8.270 nan 0.000 0.435 110 Y N 2.146 122.345 120.300 -0.167 0.000 2.293 110 Y HA -0.121 4.431 4.550 0.003 0.000 0.291 110 Y C 1.726 177.562 175.900 -0.107 0.000 1.137 110 Y CA 1.263 59.276 58.100 -0.146 0.000 1.202 110 Y CB -0.078 38.283 38.460 -0.164 0.000 0.990 110 Y HN 0.012 nan 8.280 nan 0.000 0.537 111 N N 0.201 118.881 118.700 -0.033 0.000 2.381 111 N HA -0.141 4.601 4.740 0.003 0.000 0.182 111 N C 0.992 176.443 175.510 -0.099 0.000 1.025 111 N CA 1.265 54.280 53.050 -0.059 0.000 0.888 111 N CB -0.195 38.274 38.487 -0.030 0.000 0.965 111 N HN 0.573 nan 8.380 nan 0.000 0.438 112 Q N -0.083 119.653 119.800 -0.108 0.000 2.247 112 Q HA 0.076 4.418 4.340 0.003 0.000 0.204 112 Q C -0.670 175.257 176.000 -0.122 0.000 0.872 112 Q CA -0.161 55.586 55.803 -0.093 0.000 0.951 112 Q CB 0.661 29.358 28.738 -0.069 0.000 1.099 112 Q HN 0.069 nan 8.270 nan 0.000 0.501 113 D N -0.283 119.988 120.400 -0.216 0.000 3.068 113 D HA -0.164 4.478 4.640 0.003 0.000 0.218 113 D C -0.942 175.228 176.300 -0.216 0.000 1.145 113 D CA 0.766 54.603 54.000 -0.272 0.000 0.896 113 D CB -1.193 39.508 40.800 -0.166 0.000 1.105 113 D HN 0.302 nan 8.370 nan 0.000 0.423 114 L N 1.524 122.646 121.223 -0.168 0.000 2.328 114 L HA 0.324 4.665 4.340 0.003 0.000 0.280 114 L C 2.167 178.962 176.870 -0.125 0.000 1.111 114 L CA -0.485 54.280 54.840 -0.124 0.000 0.909 114 L CB 0.186 42.197 42.059 -0.080 0.000 1.277 114 L HN 0.116 nan 8.230 nan 0.000 0.433 115 I N -1.151 119.283 120.570 -0.228 0.000 2.928 115 I HA -0.009 4.163 4.170 0.003 0.000 0.266 115 I C 0.050 175.952 176.117 -0.358 0.000 1.234 115 I CA 0.628 61.753 61.300 -0.291 0.000 1.483 115 I CB -0.139 37.582 38.000 -0.466 0.000 1.097 115 I HN 0.239 nan 8.210 nan 0.000 0.455 116 Y N 1.432 121.646 120.300 -0.144 0.000 2.352 116 Y HA 0.603 5.154 4.550 0.003 0.000 0.339 116 Y C -0.070 175.697 175.900 -0.221 0.000 0.992 116 Y CA -0.847 57.139 58.100 -0.191 0.000 1.100 116 Y CB 1.918 40.222 38.460 -0.260 0.000 1.192 116 Y HN -0.086 nan 8.280 nan 0.000 0.458 117 T N 1.867 116.394 114.554 -0.045 0.000 2.923 117 T HA 0.369 4.721 4.350 0.003 0.000 0.311 117 T C -1.476 173.151 174.700 -0.122 0.000 1.183 117 T CA -0.998 61.029 62.100 -0.121 0.000 1.020 117 T CB 0.966 69.820 68.868 -0.024 0.000 1.165 117 T HN 0.201 nan 8.240 nan 0.000 0.482 118 Y N 0.887 121.270 120.300 0.139 0.000 2.335 118 Y HA 0.630 5.182 4.550 0.003 0.000 0.323 118 Y C 0.905 176.906 175.900 0.168 0.000 1.224 118 Y CA -1.028 57.170 58.100 0.163 0.000 1.241 118 Y CB 1.628 40.176 38.460 0.147 0.000 1.235 118 Y HN 0.584 nan 8.280 nan 0.000 0.492 119 S N 1.711 117.664 115.700 0.421 0.000 2.389 119 S HA 0.520 4.991 4.470 0.003 0.000 0.201 119 S C 0.394 175.215 174.600 0.367 0.000 1.422 119 S CA 0.054 58.460 58.200 0.343 0.000 1.216 119 S CB -0.639 62.743 63.200 0.304 0.000 1.130 119 S HN 1.213 nan 8.310 nan 0.000 0.465 120 G N 4.061 113.021 108.800 0.267 0.000 2.629 120 G HA2 -0.321 3.641 3.960 0.003 0.000 0.313 120 G HA3 -0.321 3.641 3.960 0.003 0.000 0.313 120 G C 0.800 175.800 174.900 0.167 0.000 1.217 120 G CA 0.711 45.926 45.100 0.192 0.000 0.994 120 G HN 0.745 nan 8.290 nan 0.000 0.549 121 L N 0.267 121.560 121.223 0.116 0.000 2.265 121 L HA 0.208 4.550 4.340 0.003 0.000 0.215 121 L C 1.279 178.217 176.870 0.113 0.000 1.117 121 L CA 0.515 55.398 54.840 0.071 0.000 0.782 121 L CB -0.316 41.779 42.059 0.060 0.000 0.914 121 L HN 0.243 nan 8.230 nan 0.000 0.441 122 F N -0.591 119.545 119.950 0.309 0.000 2.399 122 F HA 0.400 4.929 4.527 0.003 0.000 0.328 122 F C 0.058 176.072 175.800 0.357 0.000 1.084 122 F CA -1.038 57.140 58.000 0.297 0.000 1.053 122 F CB 1.312 40.406 39.000 0.157 0.000 1.209 122 F HN -0.308 nan 8.300 nan 0.000 0.502 123 L N 3.437 125.008 121.223 0.581 0.000 2.280 123 L HA 0.592 4.933 4.340 0.003 0.000 0.287 123 L C -0.993 176.052 176.870 0.291 0.000 1.023 123 L CA -0.507 54.594 54.840 0.434 0.000 0.819 123 L CB 0.890 43.156 42.059 0.344 0.000 1.212 123 L HN 0.344 nan 8.230 nan 0.000 0.420 124 V N 4.632 124.663 119.914 0.195 0.000 2.439 124 V HA 0.844 4.965 4.120 0.003 0.000 0.282 124 V C 0.334 176.492 176.094 0.107 0.000 1.039 124 V CA -0.258 62.104 62.300 0.102 0.000 0.913 124 V CB 1.040 32.886 31.823 0.038 0.000 0.983 124 V HN 0.950 nan 8.190 nan 0.000 0.460 125 A N 4.504 127.364 122.820 0.067 0.000 2.357 125 A HA 0.775 5.097 4.320 0.003 0.000 0.295 125 A C -0.923 176.600 177.584 -0.102 0.000 1.121 125 A CA -0.490 51.541 52.037 -0.010 0.000 0.742 125 A CB 1.516 20.582 19.000 0.110 0.000 1.181 125 A HN 0.641 nan 8.150 nan 0.000 0.454 126 V N 3.367 123.193 119.914 -0.146 0.000 2.370 126 V HA 0.224 4.346 4.120 0.003 0.000 0.279 126 V C 0.477 176.507 176.094 -0.105 0.000 1.029 126 V CA -1.021 61.206 62.300 -0.122 0.000 0.870 126 V CB 1.221 32.958 31.823 -0.144 0.000 0.984 126 V HN 0.897 nan 8.190 nan 0.000 0.451 127 N N 7.723 126.304 118.700 -0.198 0.000 2.411 127 N HA 0.067 4.809 4.740 0.003 0.000 0.261 127 N C -1.380 173.996 175.510 -0.224 0.000 1.248 127 N CA -1.264 51.565 53.050 -0.368 0.000 0.885 127 N CB 1.596 39.650 38.487 -0.721 0.000 1.062 127 N HN 0.348 nan 8.380 nan 0.000 0.471 128 P HA 0.072 nan 4.420 nan 0.000 0.234 128 P C -0.208 177.113 177.300 0.035 0.000 1.175 128 P CA 0.269 63.323 63.100 -0.075 0.000 0.801 128 P CB 0.180 31.767 31.700 -0.189 0.000 0.891 129 F N 0.149 120.110 119.950 0.018 0.000 3.040 129 F HA -0.254 4.275 4.527 0.003 0.000 0.298 129 F C 0.540 176.334 175.800 -0.010 0.000 0.948 129 F CA 0.583 58.589 58.000 0.011 0.000 1.022 129 F CB -1.480 37.538 39.000 0.031 0.000 1.023 129 F HN 0.151 nan 8.300 nan 0.000 0.742 130 K N -0.689 119.773 120.400 0.104 0.000 2.774 130 K HA 0.410 4.732 4.320 0.003 0.000 0.283 130 K C -1.161 175.435 176.600 -0.008 0.000 1.050 130 K CA -1.304 55.013 56.287 0.050 0.000 0.872 130 K CB 1.146 33.663 32.500 0.029 0.000 1.434 130 K HN -0.051 nan 8.250 nan 0.000 0.372 131 R N 2.084 122.580 120.500 -0.008 0.000 2.438 131 R HA 0.405 4.747 4.340 0.003 0.000 0.287 131 R C -0.157 176.094 176.300 -0.082 0.000 1.077 131 R CA -0.264 55.822 56.100 -0.023 0.000 1.034 131 R CB 0.002 30.302 30.300 0.000 0.000 0.993 131 R HN 0.550 nan 8.270 nan 0.000 0.459 132 I N 4.749 125.257 120.570 -0.103 0.000 2.439 132 I HA 0.204 4.376 4.170 0.003 0.000 0.285 132 I C -1.898 174.053 176.117 -0.276 0.000 1.021 132 I CA -2.198 58.947 61.300 -0.259 0.000 1.091 132 I CB 2.572 40.404 38.000 -0.279 0.000 1.242 132 I HN 0.244 nan 8.210 nan 0.000 0.439 133 P HA 0.163 nan 4.420 nan 0.000 0.230 133 P C 0.414 177.551 177.300 -0.272 0.000 1.791 133 P CA 0.197 63.140 63.100 -0.262 0.000 1.020 133 P CB -0.523 31.028 31.700 -0.248 0.000 1.977 134 I N -3.977 116.352 120.570 -0.402 0.000 3.936 134 I HA 0.298 4.470 4.170 0.003 0.000 0.330 134 I C -0.308 175.593 176.117 -0.360 0.000 1.509 134 I CA -0.526 60.560 61.300 -0.356 0.000 1.126 134 I CB -0.105 37.644 38.000 -0.419 0.000 1.115 134 I HN -0.156 nan 8.210 nan 0.000 0.424 135 Y N 1.639 122.049 120.300 0.183 0.000 2.716 135 Y HA 0.287 4.838 4.550 0.003 0.000 0.260 135 Y C 1.348 177.483 175.900 0.392 0.000 1.141 135 Y CA -0.918 57.366 58.100 0.306 0.000 1.168 135 Y CB -0.166 38.392 38.460 0.162 0.000 1.189 135 Y HN 0.181 nan 8.280 nan 0.000 0.549 136 T N -3.429 111.362 114.554 0.394 0.000 2.816 136 T HA 0.070 4.422 4.350 0.003 0.000 0.282 136 T C 1.289 176.147 174.700 0.263 0.000 0.993 136 T CA -0.435 61.833 62.100 0.280 0.000 0.994 136 T CB 1.302 70.290 68.868 0.199 0.000 1.025 136 T HN 0.180 nan 8.240 nan 0.000 0.529 137 Q N 0.324 120.219 119.800 0.158 0.000 2.135 137 Q HA -0.146 4.195 4.340 0.003 0.000 0.204 137 Q C 1.925 177.978 176.000 0.088 0.000 0.981 137 Q CA 1.943 57.798 55.803 0.086 0.000 0.856 137 Q CB -0.526 28.238 28.738 0.043 0.000 0.902 137 Q HN 0.848 nan 8.270 nan 0.000 0.425 138 E N -0.987 119.279 120.200 0.111 0.000 2.150 138 E HA -0.113 4.238 4.350 0.003 0.000 0.193 138 E C 1.709 178.395 176.600 0.142 0.000 0.985 138 E CA 1.252 57.712 56.400 0.100 0.000 0.814 138 E CB -0.054 29.707 29.700 0.100 0.000 0.752 138 E HN 0.394 nan 8.360 nan 0.000 0.466 139 M N -0.251 119.493 119.600 0.240 0.000 2.236 139 M HA -0.074 4.408 4.480 0.003 0.000 0.266 139 M C 2.146 178.724 176.300 0.463 0.000 1.070 139 M CA 0.795 56.316 55.300 0.370 0.000 1.137 139 M CB -0.361 32.509 32.600 0.449 0.000 1.378 139 M HN 0.058 nan 8.290 nan 0.000 0.426 140 V N 1.384 121.481 119.914 0.304 0.000 2.231 140 V HA -0.321 3.800 4.120 0.003 0.000 0.248 140 V C 1.967 178.128 176.094 0.111 0.000 1.054 140 V CA 2.199 64.519 62.300 0.033 0.000 1.015 140 V CB -0.939 30.752 31.823 -0.221 0.000 0.638 140 V HN 0.392 nan 8.190 nan 0.000 0.444 141 D N -0.012 120.406 120.400 0.031 0.000 2.172 141 D HA -0.197 4.444 4.640 0.003 0.000 0.196 141 D C 2.020 178.309 176.300 -0.018 0.000 0.999 141 D CA 1.587 55.581 54.000 -0.009 0.000 0.856 141 D CB -0.312 40.476 40.800 -0.021 0.000 0.934 141 D HN 0.441 nan 8.370 nan 0.000 0.453 142 I N -0.126 120.416 120.570 -0.045 0.000 2.361 142 I HA -0.236 3.936 4.170 0.003 0.000 0.251 142 I C 2.055 177.957 176.117 -0.358 0.000 1.133 142 I CA 0.808 61.950 61.300 -0.262 0.000 1.413 142 I CB -0.324 37.407 38.000 -0.448 0.000 1.073 142 I HN -0.108 nan 8.210 nan 0.000 0.424 143 F N 1.879 121.846 119.950 0.029 0.000 2.325 143 F HA -0.061 4.468 4.527 0.003 0.000 0.299 143 F C 1.941 177.801 175.800 0.101 0.000 1.090 143 F CA 0.553 58.595 58.000 0.069 0.000 1.392 143 F CB -0.688 38.368 39.000 0.093 0.000 1.053 143 F HN -0.083 nan 8.300 nan 0.000 0.521 144 K N 1.174 121.699 120.400 0.208 0.000 2.365 144 K HA 0.295 4.617 4.320 0.003 0.000 0.268 144 K C 1.249 177.905 176.600 0.092 0.000 1.173 144 K CA 0.560 56.929 56.287 0.137 0.000 1.204 144 K CB -1.599 30.921 32.500 0.034 0.000 0.832 144 K HN 0.776 nan 8.250 nan 0.000 0.481 145 G N 1.770 110.647 108.800 0.129 0.000 2.155 145 G HA2 -0.267 3.695 3.960 0.003 0.000 0.257 145 G HA3 -0.267 3.695 3.960 0.003 0.000 0.257 145 G C 0.288 175.230 174.900 0.070 0.000 0.983 145 G CA 0.499 45.654 45.100 0.091 0.000 0.676 145 G HN 0.873 nan 8.290 nan 0.000 0.528 146 R N -0.067 120.484 120.500 0.086 0.000 2.404 146 R HA 0.522 4.863 4.340 0.003 0.000 0.291 146 R C 0.395 176.747 176.300 0.087 0.000 1.025 146 R CA -1.001 55.136 56.100 0.061 0.000 0.991 146 R CB 0.742 31.051 30.300 0.016 0.000 1.053 146 R HN 0.042 nan 8.270 nan 0.000 0.479 147 R N 2.040 122.578 120.500 0.062 0.000 2.641 147 R HA 0.008 4.350 4.340 0.003 0.000 0.269 147 R C 1.433 177.783 176.300 0.083 0.000 1.074 147 R CA -0.079 56.055 56.100 0.057 0.000 1.133 147 R CB 0.183 30.506 30.300 0.037 0.000 1.029 147 R HN 0.731 nan 8.270 nan 0.000 0.488 148 R N 2.043 122.579 120.500 0.059 0.000 2.117 148 R HA -0.240 4.102 4.340 0.003 0.000 0.243 148 R C 1.005 177.375 176.300 0.116 0.000 1.143 148 R CA 2.444 58.583 56.100 0.066 0.000 0.968 148 R CB -0.287 29.937 30.300 -0.126 0.000 0.863 148 R HN 0.764 nan 8.270 nan 0.000 0.444 149 N N -0.276 118.465 118.700 0.068 0.000 2.459 149 N HA -0.133 4.609 4.740 0.003 0.000 0.181 149 N C 1.071 176.639 175.510 0.097 0.000 1.046 149 N CA 1.264 54.363 53.050 0.082 0.000 0.904 149 N CB 0.120 38.636 38.487 0.048 0.000 0.964 149 N HN 0.512 nan 8.380 nan 0.000 0.444 150 E N -0.403 119.853 120.200 0.093 0.000 2.190 150 E HA 0.047 4.399 4.350 0.003 0.000 0.191 150 E C 0.261 176.907 176.600 0.077 0.000 0.978 150 E CA 0.574 57.017 56.400 0.072 0.000 0.839 150 E CB 0.441 30.167 29.700 0.042 0.000 0.787 150 E HN 0.375 nan 8.360 nan 0.000 0.473 151 V N -2.021 117.977 119.914 0.140 0.000 3.103 151 V HA 0.752 4.874 4.120 0.003 0.000 0.318 151 V C 0.023 176.304 176.094 0.312 0.000 1.114 151 V CA -1.283 61.129 62.300 0.187 0.000 1.020 151 V CB 1.363 33.261 31.823 0.124 0.000 1.085 151 V HN 0.011 nan 8.190 nan 0.000 0.446 152 A N 1.314 124.348 122.820 0.357 0.000 2.406 152 A HA 0.637 4.958 4.320 0.003 0.000 0.243 152 A C -2.322 175.447 177.584 0.307 0.000 1.082 152 A CA -1.091 51.094 52.037 0.247 0.000 0.786 152 A CB -0.830 18.229 19.000 0.098 0.000 1.029 152 A HN 0.812 nan 8.150 nan 0.000 0.495 153 P HA 0.217 nan 4.420 nan 0.000 0.268 153 P C -0.390 176.839 177.300 -0.119 0.000 1.204 153 P CA 0.875 63.842 63.100 -0.222 0.000 0.768 153 P CB 0.314 31.660 31.700 -0.590 0.000 0.842 154 H N 1.847 120.618 119.070 -0.498 0.000 3.057 154 H HA 0.073 4.631 4.556 0.003 0.000 0.308 154 H C 0.382 175.131 175.328 -0.964 0.000 1.276 154 H CA -0.567 54.891 56.048 -0.983 0.000 1.325 154 H CB 0.968 30.249 29.762 -0.802 0.000 1.963 154 H HN 0.200 nan 8.280 nan 0.000 0.524 155 I N 3.330 123.295 120.570 -1.007 0.000 2.248 155 I HA -0.203 3.969 4.170 0.003 0.000 0.248 155 I C 1.882 177.879 176.117 -0.200 0.000 1.107 155 I CA 1.536 62.573 61.300 -0.438 0.000 1.373 155 I CB -0.624 37.189 38.000 -0.313 0.000 1.055 155 I HN 0.585 nan 8.210 nan 0.000 0.418 156 F N 0.104 119.849 119.950 -0.343 0.000 2.161 156 F HA -0.273 4.256 4.527 0.003 0.000 0.300 156 F C 2.475 177.661 175.800 -1.023 0.000 1.089 156 F CA 0.487 57.894 58.000 -0.989 0.000 1.282 156 F CB -0.535 37.640 39.000 -1.375 0.000 1.010 156 F HN 0.199 nan 8.300 nan 0.000 0.485 157 A N 1.295 123.737 122.820 -0.631 0.000 1.858 157 A HA -0.196 4.126 4.320 0.003 0.000 0.216 157 A C 2.019 179.536 177.584 -0.111 0.000 1.190 157 A CA 1.821 53.736 52.037 -0.203 0.000 0.617 157 A CB -1.164 17.907 19.000 0.119 0.000 0.827 157 A HN 0.496 nan 8.150 nan 0.000 0.443 158 I N -1.867 118.645 120.570 -0.098 0.000 2.361 158 I HA -0.167 4.004 4.170 0.003 0.000 0.251 158 I C 2.092 178.091 176.117 -0.196 0.000 1.133 158 I CA 2.187 63.435 61.300 -0.086 0.000 1.413 158 I CB -0.663 37.341 38.000 0.006 0.000 1.073 158 I HN 0.091 nan 8.210 nan 0.000 0.424 159 S N 0.614 116.179 115.700 -0.224 0.000 2.368 159 S HA -0.230 4.242 4.470 0.003 0.000 0.225 159 S C 1.676 176.209 174.600 -0.112 0.000 1.030 159 S CA 1.855 59.939 58.200 -0.193 0.000 0.999 159 S CB -0.646 62.424 63.200 -0.215 0.000 0.844 159 S HN 0.686 nan 8.310 nan 0.000 0.459 160 D N 0.887 121.185 120.400 -0.169 0.000 2.117 160 D HA -0.067 4.575 4.640 0.003 0.000 0.198 160 D C 1.812 178.172 176.300 0.099 0.000 0.982 160 D CA 0.780 54.848 54.000 0.113 0.000 0.828 160 D CB -0.066 40.856 40.800 0.204 0.000 0.967 160 D HN 0.110 nan 8.370 nan 0.000 0.464 161 V N 0.684 120.600 119.914 0.004 0.000 2.332 161 V HA -0.266 3.856 4.120 0.003 0.000 0.248 161 V C 2.471 178.533 176.094 -0.053 0.000 1.055 161 V CA 1.848 64.142 62.300 -0.010 0.000 1.038 161 V CB -0.822 30.992 31.823 -0.015 0.000 0.651 161 V HN 0.362 nan 8.190 nan 0.000 0.450 162 A N -1.067 121.637 122.820 -0.193 0.000 1.877 162 A HA -0.286 4.036 4.320 0.003 0.000 0.216 162 A C 2.165 179.710 177.584 -0.065 0.000 1.186 162 A CA 2.175 54.069 52.037 -0.239 0.000 0.620 162 A CB -0.829 17.932 19.000 -0.397 0.000 0.822 162 A HN 0.616 nan 8.150 nan 0.000 0.443 163 Y N 0.618 120.826 120.300 -0.154 0.000 2.181 163 Y HA -0.188 4.363 4.550 0.003 0.000 0.288 163 Y C 2.446 178.227 175.900 -0.198 0.000 1.146 163 Y CA 1.962 59.944 58.100 -0.196 0.000 1.164 163 Y CB -0.060 38.342 38.460 -0.096 0.000 0.982 163 Y HN 0.186 nan 8.280 nan 0.000 0.515 164 R N -0.761 119.679 120.500 -0.100 0.000 2.115 164 R HA -0.037 4.304 4.340 0.003 0.000 0.226 164 R C 2.393 178.563 176.300 -0.218 0.000 1.100 164 R CA 1.120 57.109 56.100 -0.185 0.000 0.980 164 R CB -1.028 29.247 30.300 -0.040 0.000 0.875 164 R HN 0.255 nan 8.270 nan 0.000 0.445 165 S N 1.321 116.930 115.700 -0.152 0.000 2.383 165 S HA -0.050 4.422 4.470 0.003 0.000 0.227 165 S C 1.822 176.286 174.600 -0.226 0.000 1.026 165 S CA 0.899 59.020 58.200 -0.133 0.000 0.981 165 S CB -0.078 63.104 63.200 -0.030 0.000 0.818 165 S HN 0.273 nan 8.310 nan 0.000 0.472 166 M N 1.133 120.546 119.600 -0.312 0.000 2.059 166 M HA -0.103 4.378 4.480 0.003 0.000 0.259 166 M C 1.770 177.724 176.300 -0.577 0.000 1.072 166 M CA 1.629 56.666 55.300 -0.438 0.000 1.117 166 M CB -0.314 31.972 32.600 -0.523 0.000 1.320 166 M HN 0.273 nan 8.290 nan 0.000 0.408 167 L N -0.059 120.792 121.223 -0.620 0.000 2.046 167 L HA -0.244 4.098 4.340 0.003 0.000 0.208 167 L C 1.978 178.608 176.870 -0.400 0.000 1.077 167 L CA 1.261 55.756 54.840 -0.576 0.000 0.747 167 L CB -1.017 40.685 42.059 -0.595 0.000 0.896 167 L HN 0.331 nan 8.230 nan 0.000 0.432 168 D N -0.055 120.156 120.400 -0.315 0.000 2.091 168 D HA -0.142 4.500 4.640 0.003 0.000 0.199 168 D C 1.616 177.801 176.300 -0.191 0.000 0.980 168 D CA 1.184 55.056 54.000 -0.213 0.000 0.831 168 D CB -0.191 40.518 40.800 -0.152 0.000 0.987 168 D HN 0.270 nan 8.370 nan 0.000 0.460 169 D N 0.178 120.458 120.400 -0.200 0.000 2.350 169 D HA 0.004 4.645 4.640 0.003 0.000 0.213 169 D C 0.183 176.374 176.300 -0.181 0.000 1.031 169 D CA 0.085 53.992 54.000 -0.155 0.000 0.861 169 D CB 0.278 41.006 40.800 -0.119 0.000 0.926 169 D HN 0.027 nan 8.370 nan 0.000 0.520 170 R N 0.771 121.075 120.500 -0.327 0.000 3.333 170 R HA -0.231 4.111 4.340 0.003 0.000 0.256 170 R C 0.021 176.220 176.300 -0.169 0.000 1.010 170 R CA 0.393 56.219 56.100 -0.457 0.000 0.680 170 R CB -3.063 27.123 30.300 -0.190 0.000 1.102 170 R HN 0.430 nan 8.270 nan 0.000 0.440 171 Q N 0.696 120.370 119.800 -0.210 0.000 2.356 171 Q HA 0.344 4.685 4.340 0.003 0.000 0.270 171 Q C -0.567 175.373 176.000 -0.101 0.000 1.058 171 Q CA -0.807 54.959 55.803 -0.061 0.000 0.802 171 Q CB 1.462 30.157 28.738 -0.072 0.000 1.303 171 Q HN 0.150 nan 8.270 nan 0.000 0.444 172 N N 2.582 121.224 118.700 -0.096 0.000 2.381 172 N HA 0.082 4.824 4.740 0.003 0.000 0.241 172 N C -0.668 174.678 175.510 -0.273 0.000 1.279 172 N CA 0.386 53.221 53.050 -0.358 0.000 0.896 172 N CB 0.670 38.660 38.487 -0.829 0.000 1.118 172 N HN 0.556 nan 8.380 nan 0.000 0.438 173 Q N -0.196 119.436 119.800 -0.280 0.000 2.484 173 Q HA 0.570 4.912 4.340 0.003 0.000 0.285 173 Q C -0.735 175.330 176.000 0.108 0.000 1.097 173 Q CA -0.798 54.993 55.803 -0.021 0.000 0.802 173 Q CB 2.155 30.930 28.738 0.063 0.000 1.444 173 Q HN 0.736 nan 8.270 nan 0.000 0.429 174 S N 0.133 115.955 115.700 0.203 0.000 2.546 174 S HA 0.751 5.223 4.470 0.003 0.000 0.274 174 S C -1.272 173.461 174.600 0.222 0.000 1.121 174 S CA -0.746 57.603 58.200 0.249 0.000 0.887 174 S CB 1.053 64.421 63.200 0.280 0.000 1.094 174 S HN 0.323 nan 8.310 nan 0.000 0.474 175 L N 2.160 123.491 121.223 0.181 0.000 2.319 175 L HA 0.558 4.900 4.340 0.003 0.000 0.281 175 L C -1.194 175.743 176.870 0.111 0.000 1.005 175 L CA -0.380 54.533 54.840 0.122 0.000 0.828 175 L CB 1.358 43.474 42.059 0.096 0.000 1.227 175 L HN 0.642 nan 8.230 nan 0.000 0.415 176 L N 5.422 126.680 121.223 0.059 0.000 2.262 176 L HA 0.484 4.826 4.340 0.003 0.000 0.288 176 L C -0.350 176.618 176.870 0.163 0.000 1.035 176 L CA 0.193 55.103 54.840 0.116 0.000 0.820 176 L CB 0.793 42.938 42.059 0.143 0.000 1.204 176 L HN 0.423 nan 8.230 nan 0.000 0.424 177 I N 3.399 124.047 120.570 0.130 0.000 2.371 177 I HA 0.415 4.587 4.170 0.003 0.000 0.282 177 I C 0.230 176.395 176.117 0.081 0.000 1.031 177 I CA -0.197 61.171 61.300 0.113 0.000 1.180 177 I CB 1.025 39.080 38.000 0.092 0.000 1.336 177 I HN 0.628 nan 8.210 nan 0.000 0.467 178 T N 1.648 116.247 114.554 0.076 0.000 2.888 178 T HA 0.995 5.347 4.350 0.003 0.000 0.288 178 T C -0.057 174.654 174.700 0.018 0.000 1.063 178 T CA -0.695 61.423 62.100 0.031 0.000 1.010 178 T CB 2.440 71.310 68.868 0.004 0.000 1.214 178 T HN 0.898 nan 8.240 nan 0.000 0.533 179 G N -0.064 108.738 108.800 0.004 0.000 2.369 179 G HA2 0.259 4.221 3.960 0.003 0.000 0.307 179 G HA3 0.259 4.221 3.960 0.003 0.000 0.307 179 G C -1.330 173.585 174.900 0.026 0.000 1.327 179 G CA -1.013 44.093 45.100 0.010 0.000 0.963 179 G HN 0.895 nan 8.290 nan 0.000 0.590 180 E N -0.037 120.187 120.200 0.040 0.000 2.422 180 E HA 0.318 4.670 4.350 0.003 0.000 0.260 180 E C 0.679 177.316 176.600 0.062 0.000 1.108 180 E CA 0.316 56.756 56.400 0.067 0.000 0.943 180 E CB 0.834 30.578 29.700 0.075 0.000 0.961 180 E HN 0.501 nan 8.360 nan 0.000 0.443 181 S N 0.438 116.187 115.700 0.081 0.000 2.544 181 S HA 0.202 4.674 4.470 0.003 0.000 0.290 181 S C 1.069 175.713 174.600 0.073 0.000 1.276 181 S CA 0.824 59.065 58.200 0.068 0.000 1.075 181 S CB -0.152 63.089 63.200 0.067 0.000 0.849 181 S HN 0.760 nan 8.310 nan 0.000 0.494 182 G N 3.294 112.135 108.800 0.068 0.000 2.179 182 G HA2 -0.264 3.698 3.960 0.003 0.000 0.260 182 G HA3 -0.264 3.698 3.960 0.003 0.000 0.260 182 G C 0.925 175.855 174.900 0.050 0.000 0.977 182 G CA 0.387 45.549 45.100 0.103 0.000 0.641 182 G HN 1.370 nan 8.290 nan 0.000 0.533 183 A N -0.265 122.564 122.820 0.014 0.000 2.066 183 A HA 0.502 4.824 4.320 0.003 0.000 0.218 183 A C 2.542 180.070 177.584 -0.094 0.000 1.157 183 A CA 2.319 54.332 52.037 -0.039 0.000 0.670 183 A CB -0.355 18.636 19.000 -0.016 0.000 0.804 183 A HN 2.499 nan 8.150 nan 0.000 0.453 184 G N -1.256 107.503 108.800 -0.068 0.000 2.145 184 G HA2 -0.159 3.803 3.960 0.003 0.000 0.145 184 G HA3 -0.159 3.803 3.960 0.003 0.000 0.145 184 G C 0.685 175.563 174.900 -0.036 0.000 1.017 184 G CA 0.447 45.499 45.100 -0.080 0.000 0.682 184 G HN 0.423 nan 8.290 nan 0.000 0.504 185 K N -0.206 120.186 120.400 -0.014 0.000 2.002 185 K HA -0.058 4.264 4.320 0.003 0.000 0.209 185 K C 2.557 179.159 176.600 0.002 0.000 1.048 185 K CA 1.974 58.263 56.287 0.004 0.000 0.930 185 K CB -0.282 32.223 32.500 0.008 0.000 0.714 185 K HN 0.304 nan 8.250 nan 0.000 0.438 186 T N 1.515 116.065 114.554 -0.006 0.000 2.777 186 T HA -0.092 4.260 4.350 0.003 0.000 0.266 186 T C 1.624 176.318 174.700 -0.009 0.000 1.040 186 T CA 1.015 63.114 62.100 -0.001 0.000 1.141 186 T CB -0.095 68.775 68.868 0.005 0.000 0.868 186 T HN 0.198 nan 8.240 nan 0.000 0.444 187 E N 1.829 122.009 120.200 -0.033 0.000 2.012 187 E HA -0.146 4.206 4.350 0.003 0.000 0.197 187 E C 2.152 178.699 176.600 -0.089 0.000 1.007 187 E CA 1.312 57.664 56.400 -0.080 0.000 0.816 187 E CB -0.685 28.942 29.700 -0.122 0.000 0.762 187 E HN 0.514 nan 8.360 nan 0.000 0.451 188 N N -0.052 118.614 118.700 -0.057 0.000 2.192 188 N HA -0.134 4.608 4.740 0.003 0.000 0.188 188 N C 1.777 177.297 175.510 0.016 0.000 1.013 188 N CA 1.926 54.966 53.050 -0.016 0.000 0.863 188 N CB -0.177 38.333 38.487 0.038 0.000 0.990 188 N HN 0.093 nan 8.380 nan 0.000 0.430 189 T N 0.407 114.974 114.554 0.022 0.000 2.777 189 T HA -0.066 4.286 4.350 0.003 0.000 0.266 189 T C 1.594 176.323 174.700 0.048 0.000 1.040 189 T CA 1.002 63.126 62.100 0.041 0.000 1.141 189 T CB -0.072 68.819 68.868 0.037 0.000 0.868 189 T HN 0.244 nan 8.240 nan 0.000 0.444 190 K N 0.718 121.136 120.400 0.030 0.000 2.147 190 K HA -0.033 4.288 4.320 0.003 0.000 0.205 190 K C 2.353 178.999 176.600 0.076 0.000 1.049 190 K CA 0.800 57.111 56.287 0.040 0.000 0.936 190 K CB 0.044 32.553 32.500 0.015 0.000 0.722 190 K HN 0.135 nan 8.250 nan 0.000 0.446 191 K N 0.594 121.039 120.400 0.075 0.000 2.155 191 K HA -0.046 4.276 4.320 0.003 0.000 0.203 191 K C 2.126 178.922 176.600 0.327 0.000 1.052 191 K CA 0.708 57.129 56.287 0.223 0.000 0.948 191 K CB -0.315 32.264 32.500 0.131 0.000 0.728 191 K HN -0.020 nan 8.250 nan 0.000 0.448 192 V N 2.017 122.050 119.914 0.199 0.000 2.295 192 V HA -0.223 3.899 4.120 0.003 0.000 0.246 192 V C 2.323 178.530 176.094 0.188 0.000 1.049 192 V CA 1.540 63.951 62.300 0.186 0.000 1.024 192 V CB -0.358 31.530 31.823 0.109 0.000 0.648 192 V HN 0.182 nan 8.190 nan 0.000 0.447 193 I N -0.125 120.524 120.570 0.132 0.000 2.315 193 I HA -0.296 3.876 4.170 0.003 0.000 0.248 193 I C 2.624 178.793 176.117 0.087 0.000 1.117 193 I CA 1.847 63.203 61.300 0.093 0.000 1.404 193 I CB -0.470 37.563 38.000 0.054 0.000 1.071 193 I HN 0.435 nan 8.210 nan 0.000 0.419 194 Q N 0.862 120.732 119.800 0.118 0.000 2.061 194 Q HA -0.298 4.043 4.340 0.003 0.000 0.204 194 Q C 2.410 178.424 176.000 0.023 0.000 0.984 194 Q CA 2.037 57.894 55.803 0.090 0.000 0.846 194 Q CB -0.453 28.389 28.738 0.174 0.000 0.902 194 Q HN 0.554 nan 8.270 nan 0.000 0.421 195 Y N 0.837 121.086 120.300 -0.085 0.000 2.181 195 Y HA -0.189 4.363 4.550 0.003 0.000 0.288 195 Y C 1.923 177.711 175.900 -0.187 0.000 1.146 195 Y CA 1.674 59.610 58.100 -0.273 0.000 1.164 195 Y CB -0.100 38.178 38.460 -0.302 0.000 0.982 195 Y HN 0.128 nan 8.280 nan 0.000 0.515 196 L N -0.648 120.610 121.223 0.059 0.000 2.046 196 L HA -0.230 4.112 4.340 0.003 0.000 0.208 196 L C 2.753 179.572 176.870 -0.084 0.000 1.077 196 L CA 1.158 55.998 54.840 0.001 0.000 0.747 196 L CB -0.944 41.222 42.059 0.178 0.000 0.896 196 L HN 0.315 nan 8.230 nan 0.000 0.432 197 A N -0.967 121.817 122.820 -0.061 0.000 1.978 197 A HA -0.242 4.079 4.320 0.003 0.000 0.220 197 A C 2.531 180.044 177.584 -0.118 0.000 1.170 197 A CA 2.122 54.119 52.037 -0.067 0.000 0.636 197 A CB -0.579 18.393 19.000 -0.046 0.000 0.810 197 A HN 0.424 nan 8.150 nan 0.000 0.448 198 S N -0.279 115.294 115.700 -0.213 0.000 2.335 198 S HA -0.113 4.359 4.470 0.003 0.000 0.217 198 S C 1.911 176.339 174.600 -0.286 0.000 1.032 198 S CA 1.742 59.787 58.200 -0.259 0.000 0.985 198 S CB -0.751 62.244 63.200 -0.343 0.000 0.896 198 S HN 1.043 nan 8.310 nan 0.000 0.445 199 V N -0.816 118.823 119.914 -0.460 0.000 3.444 199 V HA 0.578 4.700 4.120 0.003 0.000 0.271 199 V C 1.128 177.083 176.094 -0.231 0.000 1.188 199 V CA 1.162 63.212 62.300 -0.416 0.000 1.168 199 V CB -0.444 30.984 31.823 -0.659 0.000 0.810 199 V HN 0.589 nan 8.190 nan 0.000 0.500 200 A N -0.974 121.798 122.820 -0.080 0.000 2.716 200 A HA 0.712 5.034 4.320 0.003 0.000 0.252 200 A C 1.008 178.770 177.584 0.296 0.000 1.144 200 A CA 0.367 52.547 52.037 0.239 0.000 0.995 200 A CB -0.238 18.926 19.000 0.272 0.000 1.252 200 A HN 0.745 nan 8.150 nan 0.000 0.593 201 G N -0.143 108.701 108.800 0.073 0.000 2.531 201 G HA2 0.463 4.425 3.960 0.003 0.000 0.281 201 G HA3 0.463 4.425 3.960 0.003 0.000 0.281 201 G C -0.110 174.728 174.900 -0.102 0.000 1.382 201 G CA -0.823 44.280 45.100 0.005 0.000 1.045 201 G HN 0.372 nan 8.290 nan 0.000 0.533 202 R N -0.142 120.288 120.500 -0.118 0.000 2.351 202 R HA 0.369 4.710 4.340 0.003 0.000 0.318 202 R C 0.842 177.062 176.300 -0.133 0.000 1.055 202 R CA 0.641 56.646 56.100 -0.159 0.000 0.968 202 R CB -1.242 28.988 30.300 -0.116 0.000 0.974 202 R HN 0.740 nan 8.270 nan 0.000 0.439 203 N N 3.218 121.823 118.700 -0.157 0.000 2.237 203 N HA -0.037 4.705 4.740 0.003 0.000 0.245 203 N C -0.129 175.332 175.510 -0.082 0.000 1.239 203 N CA 0.761 53.744 53.050 -0.113 0.000 0.842 203 N CB -0.119 38.301 38.487 -0.111 0.000 1.089 203 N HN 0.815 nan 8.380 nan 0.000 0.454 210 V N 2.385 122.270 119.914 -0.047 0.000 2.270 210 V HA -0.050 4.071 4.120 0.003 0.000 0.245 210 V C 2.613 178.677 176.094 -0.050 0.000 1.043 210 V CA 2.641 64.914 62.300 -0.045 0.000 1.014 210 V CB -0.252 31.544 31.823 -0.045 0.000 0.645 210 V HN 0.790 nan 8.190 nan 0.000 0.447 211 L N 0.611 121.801 121.223 -0.055 0.000 1.994 211 L HA -0.141 4.201 4.340 0.003 0.000 0.208 211 L C 2.320 179.154 176.870 -0.061 0.000 1.071 211 L CA 2.407 57.209 54.840 -0.062 0.000 0.745 211 L CB -1.100 40.921 42.059 -0.063 0.000 0.892 211 L HN 0.409 nan 8.230 nan 0.000 0.431 212 E N -0.475 119.691 120.200 -0.056 0.000 2.147 212 E HA -0.267 4.085 4.350 0.003 0.000 0.199 212 E C 2.218 178.794 176.600 -0.041 0.000 1.005 212 E CA 1.598 57.967 56.400 -0.052 0.000 0.810 212 E CB -0.246 29.424 29.700 -0.050 0.000 0.736 212 E HN 0.500 nan 8.360 nan 0.000 0.460 213 Q N 0.106 119.884 119.800 -0.037 0.000 2.123 213 Q HA -0.074 4.268 4.340 0.003 0.000 0.199 213 Q C 2.051 178.035 176.000 -0.026 0.000 0.966 213 Q CA 1.269 57.056 55.803 -0.027 0.000 0.845 213 Q CB -0.017 28.706 28.738 -0.025 0.000 0.907 213 Q HN 0.503 nan 8.270 nan 0.000 0.439 214 Q N -0.334 119.443 119.800 -0.039 0.000 2.230 214 Q HA 0.007 4.349 4.340 0.003 0.000 0.202 214 Q C 2.044 178.017 176.000 -0.045 0.000 0.963 214 Q CA 0.642 56.419 55.803 -0.044 0.000 0.866 214 Q CB 0.121 28.819 28.738 -0.066 0.000 0.931 214 Q HN 0.321 nan 8.270 nan 0.000 0.452 215 I N 0.391 120.931 120.570 -0.050 0.000 2.353 215 I HA -0.236 3.936 4.170 0.003 0.000 0.248 215 I C 1.874 177.974 176.117 -0.028 0.000 1.119 215 I CA 0.899 62.168 61.300 -0.052 0.000 1.417 215 I CB 0.043 38.005 38.000 -0.064 0.000 1.078 215 I HN 0.190 nan 8.210 nan 0.000 0.421 216 L N -0.317 120.895 121.223 -0.019 0.000 2.072 216 L HA -0.170 4.172 4.340 0.003 0.000 0.205 216 L C 2.289 179.167 176.870 0.013 0.000 1.079 216 L CA 0.907 55.747 54.840 0.000 0.000 0.752 216 L CB -0.569 41.491 42.059 0.002 0.000 0.906 216 L HN 0.212 nan 8.230 nan 0.000 0.436 217 Q N -0.057 119.747 119.800 0.008 0.000 2.515 217 Q HA -0.013 4.328 4.340 0.003 0.000 0.212 217 Q C 2.081 178.098 176.000 0.029 0.000 0.970 217 Q CA 0.989 56.804 55.803 0.021 0.000 0.941 217 Q CB -0.030 28.717 28.738 0.015 0.000 0.998 217 Q HN 0.530 nan 8.270 nan 0.000 0.518 218 A N 0.944 123.774 122.820 0.017 0.000 1.903 218 A HA -0.117 4.205 4.320 0.003 0.000 0.213 218 A C 1.816 179.426 177.584 0.043 0.000 1.185 218 A CA 0.687 52.731 52.037 0.013 0.000 0.628 218 A CB -0.168 18.819 19.000 -0.022 0.000 0.830 218 A HN 0.285 nan 8.150 nan 0.000 0.446 219 N N 0.661 119.399 118.700 0.063 0.000 2.021 219 N HA -0.160 4.581 4.740 0.003 0.000 0.198 219 N C -0.810 174.789 175.510 0.149 0.000 1.041 219 N CA 2.162 55.279 53.050 0.112 0.000 0.862 219 N CB -1.799 36.758 38.487 0.116 0.000 1.048 219 N HN 0.355 nan 8.380 nan 0.000 0.427 220 P HA -0.076 nan 4.420 nan 0.000 0.219 220 P C 1.609 179.012 177.300 0.171 0.000 1.146 220 P CA 1.077 64.263 63.100 0.143 0.000 0.808 220 P CB -0.124 31.638 31.700 0.103 0.000 0.779 221 I N -1.270 119.379 120.570 0.130 0.000 2.406 221 I HA -0.139 4.032 4.170 0.003 0.000 0.249 221 I C 2.474 178.697 176.117 0.178 0.000 1.122 221 I CA 0.937 62.317 61.300 0.134 0.000 1.431 221 I CB -0.513 37.494 38.000 0.012 0.000 1.087 221 I HN -0.142 nan 8.210 nan 0.000 0.424 222 L N 0.286 121.580 121.223 0.120 0.000 2.156 222 L HA -0.120 4.222 4.340 0.003 0.000 0.208 222 L C 2.356 179.458 176.870 0.387 0.000 1.095 222 L CA 1.214 56.126 54.840 0.120 0.000 0.770 222 L CB -0.492 41.641 42.059 0.122 0.000 0.914 222 L HN 0.254 nan 8.230 nan 0.000 0.439 223 E N 0.306 120.745 120.200 0.399 0.000 2.208 223 E HA -0.133 4.219 4.350 0.003 0.000 0.193 223 E C 2.243 179.134 176.600 0.485 0.000 0.988 223 E CA 0.923 57.602 56.400 0.464 0.000 0.828 223 E CB 0.013 29.937 29.700 0.372 0.000 0.763 223 E HN 0.471 nan 8.360 nan 0.000 0.478 224 A N 0.391 123.449 122.820 0.396 0.000 1.968 224 A HA -0.079 4.243 4.320 0.003 0.000 0.217 224 A C 1.663 179.336 177.584 0.148 0.000 1.169 224 A CA 0.867 53.074 52.037 0.284 0.000 0.638 224 A CB -0.341 18.727 19.000 0.113 0.000 0.812 224 A HN 0.131 nan 8.150 nan 0.000 0.446 225 F N -0.644 119.429 119.950 0.205 0.000 2.387 225 F HA 0.203 4.732 4.527 0.003 0.000 0.294 225 F C 2.358 178.202 175.800 0.074 0.000 1.093 225 F CA 0.957 59.038 58.000 0.135 0.000 1.420 225 F CB -0.162 38.839 39.000 0.002 0.000 1.086 225 F HN 0.273 nan 8.300 nan 0.000 0.531 226 G N -1.144 107.903 108.800 0.412 0.000 3.159 226 G HA2 0.091 4.053 3.960 0.003 0.000 0.232 226 G HA3 0.091 4.053 3.960 0.003 0.000 0.232 226 G C -0.123 175.219 174.900 0.736 0.000 1.116 226 G CA -0.104 45.168 45.100 0.286 0.000 0.767 226 G HN 0.083 nan 8.290 nan 0.000 0.547 227 N N 0.329 119.356 118.700 0.545 0.000 2.370 227 N HA 0.769 5.511 4.740 0.003 0.000 0.303 227 N C -0.471 174.818 175.510 -0.368 0.000 1.103 227 N CA -0.113 53.054 53.050 0.196 0.000 0.848 227 N CB 2.167 40.811 38.487 0.262 0.000 1.235 227 N HN 0.203 nan 8.380 nan 0.000 0.496 228 A N 0.363 122.942 122.820 -0.400 0.000 2.606 228 A HA 0.504 4.826 4.320 0.003 0.000 0.293 228 A C -1.168 176.322 177.584 -0.156 0.000 1.082 228 A CA -0.818 50.949 52.037 -0.450 0.000 0.685 228 A CB 1.192 19.931 19.000 -0.435 0.000 1.284 228 A HN 0.547 nan 8.150 nan 0.000 0.408 229 K N 1.117 121.487 120.400 -0.050 0.000 2.297 229 K HA 0.491 4.812 4.320 0.003 0.000 0.286 229 K C 0.049 176.610 176.600 -0.065 0.000 1.053 229 K CA 0.611 56.897 56.287 -0.001 0.000 0.940 229 K CB 0.449 32.946 32.500 -0.005 0.000 1.019 229 K HN 0.946 nan 8.250 nan 0.000 0.475 230 T N -0.356 114.170 114.554 -0.048 0.000 2.858 230 T HA 0.176 4.528 4.350 0.003 0.000 0.285 230 T C 1.296 175.959 174.700 -0.061 0.000 1.052 230 T CA -0.181 61.876 62.100 -0.072 0.000 1.009 230 T CB 1.154 69.978 68.868 -0.074 0.000 1.241 230 T HN 0.604 nan 8.240 nan 0.000 0.542 231 T N -1.067 113.442 114.554 -0.076 0.000 2.995 231 T HA 0.024 4.375 4.350 0.003 0.000 0.269 231 T C 1.698 176.363 174.700 -0.058 0.000 1.091 231 T CA 0.549 62.607 62.100 -0.071 0.000 1.128 231 T CB -0.309 68.511 68.868 -0.081 0.000 0.891 231 T HN 0.653 nan 8.240 nan 0.000 0.492 232 R N 0.880 121.350 120.500 -0.049 0.000 2.223 232 R HA 0.341 4.683 4.340 0.003 0.000 0.198 232 R C 0.287 176.603 176.300 0.026 0.000 0.984 232 R CA 0.181 56.271 56.100 -0.017 0.000 1.018 232 R CB 0.194 30.483 30.300 -0.018 0.000 0.945 232 R HN 0.276 nan 8.270 nan 0.000 0.479 233 N N -0.554 118.158 118.700 0.021 0.000 2.521 233 N HA 0.092 4.834 4.740 0.003 0.000 0.269 233 N C -1.009 174.530 175.510 0.049 0.000 1.079 233 N CA -0.403 52.681 53.050 0.056 0.000 0.980 233 N CB 1.109 39.637 38.487 0.069 0.000 1.667 233 N HN -0.100 nan 8.380 nan 0.000 0.498 234 N N 1.168 119.907 118.700 0.065 0.000 2.512 234 N HA -0.087 4.654 4.740 0.003 0.000 0.183 234 N C -0.290 175.317 175.510 0.162 0.000 1.073 234 N CA 0.530 53.625 53.050 0.075 0.000 0.911 234 N CB 0.128 38.645 38.487 0.049 0.000 0.964 234 N HN 0.422 nan 8.380 nan 0.000 0.447 235 N N 0.206 119.004 118.700 0.165 0.000 2.646 235 N HA 0.042 4.783 4.740 0.003 0.000 0.303 235 N C -1.452 174.159 175.510 0.168 0.000 1.921 235 N CA -0.163 53.046 53.050 0.265 0.000 0.872 235 N CB 0.626 39.260 38.487 0.244 0.000 1.327 235 N HN -0.196 nan 8.380 nan 0.000 0.492 236 S N 0.004 115.761 115.700 0.096 0.000 2.562 236 S HA 0.222 4.694 4.470 0.003 0.000 0.281 236 S C -0.055 174.584 174.600 0.065 0.000 1.333 236 S CA -0.236 57.998 58.200 0.056 0.000 1.052 236 S CB 0.228 63.439 63.200 0.018 0.000 0.884 236 S HN 0.409 nan 8.310 nan 0.000 0.506 237 S N 4.868 120.584 115.700 0.027 0.000 2.439 237 S HA 0.310 4.782 4.470 0.003 0.000 0.282 237 S C 0.410 175.022 174.600 0.020 0.000 1.170 237 S CA -0.830 57.345 58.200 -0.041 0.000 1.054 237 S CB 0.649 63.687 63.200 -0.269 0.000 0.956 237 S HN 0.553 nan 8.310 nan 0.000 0.490 238 R N 2.087 122.726 120.500 0.232 0.000 2.480 238 R HA 0.305 4.647 4.340 0.003 0.000 0.277 238 R C -0.420 176.098 176.300 0.364 0.000 1.008 238 R CA -0.264 56.013 56.100 0.296 0.000 1.090 238 R CB -1.200 29.350 30.300 0.416 0.000 1.234 238 R HN 0.730 nan 8.270 nan 0.000 0.549 239 F N -4.170 115.839 119.950 0.098 0.000 2.678 239 F HA 0.753 5.282 4.527 0.003 0.000 0.308 239 F C -0.110 175.784 175.800 0.157 0.000 1.118 239 F CA -1.702 56.349 58.000 0.085 0.000 0.959 239 F CB 0.837 39.826 39.000 -0.019 0.000 1.305 239 F HN -0.100 nan 8.300 nan 0.000 0.443 240 G N 1.201 110.134 108.800 0.223 0.000 2.434 240 G HA2 0.679 4.640 3.960 0.003 0.000 0.330 240 G HA3 0.679 4.640 3.960 0.003 0.000 0.330 240 G C -1.789 173.328 174.900 0.362 0.000 1.155 240 G CA -1.037 44.183 45.100 0.200 0.000 0.917 240 G HN 1.063 nan 8.290 nan 0.000 0.493 241 K N -0.714 119.872 120.400 0.310 0.000 2.551 241 K HA 0.619 4.941 4.320 0.003 0.000 0.269 241 K C -2.169 174.676 176.600 0.410 0.000 0.949 241 K CA -1.026 55.459 56.287 0.330 0.000 0.849 241 K CB 2.146 34.808 32.500 0.270 0.000 1.411 241 K HN 0.401 nan 8.250 nan 0.000 0.432 242 F N 3.285 123.343 119.950 0.180 0.000 2.496 242 F HA 0.509 5.038 4.527 0.003 0.000 0.341 242 F C -1.133 174.699 175.800 0.054 0.000 1.134 242 F CA -0.938 57.145 58.000 0.139 0.000 0.968 242 F CB 1.004 40.112 39.000 0.181 0.000 1.205 242 F HN 0.385 nan 8.300 nan 0.000 0.436 243 I N 5.342 125.680 120.570 -0.387 0.000 2.336 243 I HA 0.259 4.431 4.170 0.003 0.000 0.292 243 I C -0.406 175.351 176.117 -0.600 0.000 0.991 243 I CA -0.518 60.570 61.300 -0.353 0.000 1.227 243 I CB 1.709 39.620 38.000 -0.150 0.000 1.366 243 I HN 0.589 nan 8.210 nan 0.000 0.466 244 E N 6.884 126.804 120.200 -0.466 0.000 2.113 244 E HA 0.339 4.691 4.350 0.003 0.000 0.273 244 E C -0.953 175.548 176.600 -0.166 0.000 0.924 244 E CA -0.787 55.381 56.400 -0.387 0.000 0.764 244 E CB 1.182 30.605 29.700 -0.462 0.000 1.104 244 E HN 0.384 nan 8.360 nan 0.000 0.406 245 I N 4.620 125.169 120.570 -0.035 0.000 2.301 245 I HA 0.129 4.301 4.170 0.003 0.000 0.292 245 I C 0.216 176.270 176.117 -0.104 0.000 1.046 245 I CA -0.187 61.056 61.300 -0.094 0.000 1.282 245 I CB 0.894 38.873 38.000 -0.035 0.000 1.409 245 I HN 0.513 nan 8.210 nan 0.000 0.484 246 Q N 5.556 125.216 119.800 -0.233 0.000 2.235 246 Q HA 0.629 4.971 4.340 0.003 0.000 0.250 246 Q C -1.320 174.462 176.000 -0.364 0.000 0.909 246 Q CA -0.250 55.492 55.803 -0.101 0.000 0.910 246 Q CB 1.818 30.536 28.738 -0.033 0.000 1.223 246 Q HN 0.374 nan 8.270 nan 0.000 0.432 247 F N 0.828 120.880 119.950 0.171 0.000 2.588 247 F HA 0.339 4.868 4.527 0.003 0.000 0.314 247 F C 0.190 176.078 175.800 0.147 0.000 1.069 247 F CA -1.228 56.871 58.000 0.164 0.000 0.931 247 F CB 1.281 40.387 39.000 0.176 0.000 1.260 247 F HN 0.573 nan 8.300 nan 0.000 0.465 248 N N -0.510 118.380 118.700 0.316 0.000 2.447 248 N HA 0.239 4.980 4.740 0.003 0.000 0.271 248 N C 0.376 176.017 175.510 0.218 0.000 1.226 248 N CA -0.000 53.177 53.050 0.212 0.000 0.980 248 N CB -0.370 38.219 38.487 0.171 0.000 1.206 248 N HN 0.690 nan 8.380 nan 0.000 0.558 249 N N -0.943 117.861 118.700 0.173 0.000 2.364 249 N HA -0.092 4.650 4.740 0.003 0.000 0.183 249 N C 1.622 177.144 175.510 0.020 0.000 1.022 249 N CA 1.482 54.641 53.050 0.182 0.000 0.883 249 N CB -0.773 37.800 38.487 0.144 0.000 0.965 249 N HN 0.794 nan 8.380 nan 0.000 0.438 250 A N -1.066 121.738 122.820 -0.027 0.000 2.119 250 A HA 0.472 4.793 4.320 0.003 0.000 0.216 250 A C 2.121 179.405 177.584 -0.499 0.000 1.152 250 A CA 1.340 53.261 52.037 -0.193 0.000 0.708 250 A CB -0.496 18.459 19.000 -0.075 0.000 0.805 250 A HN 1.699 nan 8.150 nan 0.000 0.460 251 G N -2.333 106.274 108.800 -0.321 0.000 2.131 251 G HA2 -0.214 3.748 3.960 0.003 0.000 0.223 251 G HA3 -0.214 3.748 3.960 0.003 0.000 0.223 251 G C -0.063 174.764 174.900 -0.121 0.000 0.990 251 G CA 0.013 44.925 45.100 -0.314 0.000 0.671 251 G HN 0.362 nan 8.290 nan 0.000 0.521 252 F N 0.008 120.171 119.950 0.356 0.000 2.470 252 F HA 0.622 5.151 4.527 0.003 0.000 0.329 252 F C 1.332 177.303 175.800 0.285 0.000 1.072 252 F CA -1.423 56.764 58.000 0.311 0.000 0.989 252 F CB 1.137 40.225 39.000 0.148 0.000 1.193 252 F HN -0.091 nan 8.300 nan 0.000 0.481 253 I N 2.080 122.848 120.570 0.330 0.000 2.662 253 I HA -0.081 4.091 4.170 0.003 0.000 0.285 253 I C 0.828 176.927 176.117 -0.030 0.000 1.161 253 I CA 0.496 61.739 61.300 -0.094 0.000 1.415 253 I CB 0.570 38.482 38.000 -0.147 0.000 1.385 253 I HN 0.726 nan 8.210 nan 0.000 0.552 254 S N 3.599 119.248 115.700 -0.085 0.000 2.506 254 S HA 0.441 4.913 4.470 0.003 0.000 0.219 254 S C 0.650 175.209 174.600 -0.070 0.000 1.031 254 S CA 0.134 58.319 58.200 -0.024 0.000 0.911 254 S CB 0.980 64.195 63.200 0.025 0.000 0.812 254 S HN 0.835 nan 8.310 nan 0.000 0.497 255 G N 0.122 108.845 108.800 -0.128 0.000 2.427 255 G HA2 0.670 4.632 3.960 0.003 0.000 0.306 255 G HA3 0.670 4.632 3.960 0.003 0.000 0.306 255 G C -1.933 172.876 174.900 -0.151 0.000 1.280 255 G CA -0.155 44.873 45.100 -0.119 0.000 0.837 255 G HN 0.987 nan 8.290 nan 0.000 0.482 256 A N -1.415 121.326 122.820 -0.131 0.000 2.597 256 A HA 0.961 5.283 4.320 0.003 0.000 0.292 256 A C -0.783 176.720 177.584 -0.135 0.000 1.057 256 A CA 0.390 52.344 52.037 -0.138 0.000 0.674 256 A CB 1.294 20.213 19.000 -0.134 0.000 1.278 256 A HN 2.167 nan 8.150 nan 0.000 0.416 257 S N -0.060 115.551 115.700 -0.148 0.000 2.533 257 S HA 0.740 5.212 4.470 0.003 0.000 0.271 257 S C -1.560 172.953 174.600 -0.146 0.000 1.143 257 S CA -0.462 57.652 58.200 -0.144 0.000 0.891 257 S CB 0.727 63.842 63.200 -0.142 0.000 1.105 257 S HN 0.781 nan 8.310 nan 0.000 0.468 258 I N 3.275 123.771 120.570 -0.123 0.000 2.436 258 I HA 0.457 4.628 4.170 0.003 0.000 0.289 258 I C -0.642 175.421 176.117 -0.091 0.000 1.010 258 I CA -0.659 60.585 61.300 -0.095 0.000 1.098 258 I CB 2.062 40.010 38.000 -0.085 0.000 1.266 258 I HN 0.551 nan 8.210 nan 0.000 0.434 259 Q N 5.317 125.083 119.800 -0.057 0.000 2.333 259 Q HA 0.472 4.814 4.340 0.003 0.000 0.265 259 Q C -0.807 174.996 176.000 -0.330 0.000 0.989 259 Q CA -0.529 55.172 55.803 -0.169 0.000 0.842 259 Q CB 1.625 30.322 28.738 -0.068 0.000 1.262 259 Q HN 0.735 nan 8.270 nan 0.000 0.451 260 S N 2.926 118.422 115.700 -0.340 0.000 2.638 260 S HA 0.814 5.285 4.470 0.003 0.000 0.298 260 S C -0.944 173.384 174.600 -0.453 0.000 1.111 260 S CA -0.481 57.621 58.200 -0.162 0.000 1.027 260 S CB 0.871 64.217 63.200 0.243 0.000 1.064 260 S HN 0.504 nan 8.310 nan 0.000 0.525 261 Y N -0.503 119.956 120.300 0.265 0.000 2.588 261 Y HA 0.507 5.059 4.550 0.003 0.000 0.343 261 Y C 0.274 176.298 175.900 0.206 0.000 1.065 261 Y CA -1.687 56.516 58.100 0.172 0.000 1.038 261 Y CB 1.059 39.572 38.460 0.089 0.000 1.297 261 Y HN 0.717 nan 8.280 nan 0.000 0.467 262 L N 2.118 123.561 121.223 0.366 0.000 3.954 262 L HA -0.242 4.100 4.340 0.003 0.000 0.462 262 L C -0.510 176.478 176.870 0.197 0.000 1.195 262 L CA 0.114 55.112 54.840 0.262 0.000 0.739 262 L CB -0.693 41.522 42.059 0.261 0.000 1.599 262 L HN 0.533 nan 8.230 nan 0.000 0.838 263 L N 0.948 122.253 121.223 0.136 0.000 2.455 263 L HA 0.093 4.435 4.340 0.003 0.000 0.272 263 L C 1.129 178.062 176.870 0.106 0.000 1.174 263 L CA 0.496 55.367 54.840 0.050 0.000 0.869 263 L CB 0.842 42.748 42.059 -0.254 0.000 1.130 263 L HN 0.227 nan 8.230 nan 0.000 0.474 264 E N 4.164 124.479 120.200 0.191 0.000 1.842 264 E HA -0.007 4.345 4.350 0.003 0.000 0.278 264 E C 0.535 177.280 176.600 0.242 0.000 1.171 264 E CA 0.026 56.549 56.400 0.205 0.000 1.127 264 E CB 0.235 30.050 29.700 0.193 0.000 1.100 264 E HN 0.718 nan 8.360 nan 0.000 0.456 265 K N 0.602 121.095 120.400 0.155 0.000 2.097 265 K HA -0.146 4.175 4.320 0.003 0.000 0.206 265 K C 2.019 178.672 176.600 0.088 0.000 1.049 265 K CA 1.548 57.914 56.287 0.132 0.000 0.933 265 K CB 0.066 32.627 32.500 0.102 0.000 0.717 265 K HN 0.389 nan 8.250 nan 0.000 0.442 266 S N 1.385 117.134 115.700 0.082 0.000 2.420 266 S HA -0.236 4.236 4.470 0.003 0.000 0.237 266 S C 1.917 176.540 174.600 0.039 0.000 1.023 266 S CA 1.348 59.582 58.200 0.057 0.000 0.991 266 S CB -0.379 62.867 63.200 0.076 0.000 0.792 266 S HN 0.337 nan 8.310 nan 0.000 0.488 267 R N 1.323 121.839 120.500 0.026 0.000 2.193 267 R HA -0.026 4.316 4.340 0.003 0.000 0.229 267 R C 1.727 177.907 176.300 -0.201 0.000 1.110 267 R CA 1.047 57.086 56.100 -0.102 0.000 0.988 267 R CB -0.535 29.598 30.300 -0.277 0.000 0.871 267 R HN 0.372 nan 8.270 nan 0.000 0.458 268 V N 0.752 120.573 119.914 -0.156 0.000 2.407 268 V HA -0.206 3.916 4.120 0.003 0.000 0.248 268 V C 2.128 177.804 176.094 -0.697 0.000 1.055 268 V CA 1.828 63.908 62.300 -0.367 0.000 1.049 268 V CB -0.043 31.578 31.823 -0.338 0.000 0.662 268 V HN 0.496 nan 8.190 nan 0.000 0.455 269 V N -4.348 115.221 119.914 -0.575 0.000 3.621 269 V HA 0.440 4.561 4.120 0.003 0.000 0.285 269 V C 0.077 176.079 176.094 -0.155 0.000 1.346 269 V CA -0.059 61.796 62.300 -0.741 0.000 1.104 269 V CB -0.142 31.438 31.823 -0.404 0.000 0.913 269 V HN 0.342 nan 8.190 nan 0.000 0.432 270 F N 0.915 120.712 119.950 -0.254 0.000 2.652 270 F HA 0.729 5.258 4.527 0.003 0.000 0.320 270 F C -1.718 174.011 175.800 -0.117 0.000 1.115 270 F CA -0.623 57.302 58.000 -0.124 0.000 1.053 270 F CB 1.636 40.594 39.000 -0.070 0.000 1.297 270 F HN 0.057 nan 8.300 nan 0.000 0.471 271 Q N 3.255 122.345 119.800 -1.184 0.000 2.372 271 Q HA 0.587 4.929 4.340 0.003 0.000 0.273 271 Q C -0.672 174.659 176.000 -1.116 0.000 1.078 271 Q CA -1.009 54.242 55.803 -0.920 0.000 0.806 271 Q CB 2.310 30.787 28.738 -0.436 0.000 1.332 271 Q HN 0.650 nan 8.270 nan 0.000 0.435 272 S N 0.774 116.085 115.700 -0.648 0.000 2.596 272 S HA 0.377 4.849 4.470 0.003 0.000 0.260 272 S C 0.252 174.707 174.600 -0.241 0.000 1.336 272 S CA -0.190 57.811 58.200 -0.332 0.000 0.993 272 S CB 0.079 63.230 63.200 -0.081 0.000 0.923 272 S HN 0.728 nan 8.310 nan 0.000 0.567 273 E N 0.219 120.342 120.200 -0.129 0.000 2.417 273 E HA 0.366 4.717 4.350 0.003 0.000 0.261 273 E C 1.172 177.717 176.600 -0.092 0.000 1.000 273 E CA 0.098 56.441 56.400 -0.095 0.000 0.919 273 E CB -1.046 28.626 29.700 -0.047 0.000 0.955 273 E HN 1.398 nan 8.360 nan 0.000 0.455 274 T N -0.874 113.626 114.554 -0.091 0.000 7.113 274 T HA -0.228 4.124 4.350 0.003 0.000 0.290 274 T C 0.457 175.097 174.700 -0.101 0.000 2.138 274 T CA 1.188 63.238 62.100 -0.084 0.000 3.555 274 T CB -1.941 66.884 68.868 -0.072 0.000 1.347 274 T HN 0.798 nan 8.240 nan 0.000 0.958 275 E N 1.356 121.481 120.200 -0.125 0.000 2.376 275 E HA 0.598 4.950 4.350 0.003 0.000 0.254 275 E C 0.426 176.943 176.600 -0.139 0.000 1.213 275 E CA -0.688 55.629 56.400 -0.138 0.000 0.945 275 E CB 0.578 30.178 29.700 -0.166 0.000 1.057 275 E HN 0.407 nan 8.360 nan 0.000 0.479 276 R N 0.769 121.188 120.500 -0.135 0.000 2.854 276 R HA 0.267 4.609 4.340 0.003 0.000 0.271 276 R C -0.003 176.264 176.300 -0.055 0.000 0.994 276 R CA -0.893 55.156 56.100 -0.084 0.000 0.945 276 R CB 1.348 31.530 30.300 -0.197 0.000 1.194 276 R HN 0.444 nan 8.270 nan 0.000 0.476 277 N N 0.419 119.201 118.700 0.138 0.000 2.322 277 N HA 0.032 4.774 4.740 0.003 0.000 0.270 277 N C -0.666 174.916 175.510 0.121 0.000 1.286 277 N CA 0.093 53.132 53.050 -0.018 0.000 0.948 277 N CB 0.208 38.615 38.487 -0.133 0.000 1.164 277 N HN 0.249 nan 8.380 nan 0.000 0.551 278 Y N 1.178 121.657 120.300 0.298 0.000 2.702 278 Y HA -0.048 4.504 4.550 0.003 0.000 0.336 278 Y C 1.995 178.118 175.900 0.371 0.000 1.235 278 Y CA 0.247 58.500 58.100 0.255 0.000 1.492 278 Y CB 0.208 38.807 38.460 0.232 0.000 1.308 278 Y HN 0.513 nan 8.280 nan 0.000 0.589 279 H N 1.797 121.120 119.070 0.423 0.000 2.357 279 H HA -0.233 4.325 4.556 0.003 0.000 0.296 279 H C 2.229 177.700 175.328 0.239 0.000 1.108 279 H CA 2.188 58.441 56.048 0.340 0.000 1.273 279 H CB -0.354 29.537 29.762 0.215 0.000 1.367 279 H HN 0.761 nan 8.280 nan 0.000 0.498 280 I N 0.644 121.273 120.570 0.099 0.000 2.248 280 I HA -0.275 3.897 4.170 0.003 0.000 0.248 280 I C 1.898 177.882 176.117 -0.221 0.000 1.107 280 I CA 1.072 62.238 61.300 -0.222 0.000 1.373 280 I CB -0.493 37.004 38.000 -0.838 0.000 1.055 280 I HN -0.067 nan 8.210 nan 0.000 0.418 281 F N -0.078 119.815 119.950 -0.096 0.000 2.095 281 F HA -0.264 4.265 4.527 0.003 0.000 0.298 281 F C 2.255 177.843 175.800 -0.354 0.000 1.104 281 F CA 2.102 59.915 58.000 -0.312 0.000 1.232 281 F CB -1.363 37.308 39.000 -0.549 0.000 0.987 281 F HN 0.112 nan 8.300 nan 0.000 0.475 282 Y N -0.179 120.214 120.300 0.154 0.000 2.293 282 Y HA -0.181 4.371 4.550 0.003 0.000 0.291 282 Y C 2.395 178.262 175.900 -0.055 0.000 1.137 282 Y CA 1.073 59.207 58.100 0.058 0.000 1.202 282 Y CB -1.068 37.444 38.460 0.088 0.000 0.990 282 Y HN 0.153 nan 8.280 nan 0.000 0.537 283 Q N -0.446 119.390 119.800 0.060 0.000 2.083 283 Q HA -0.136 4.206 4.340 0.003 0.000 0.198 283 Q C 2.213 177.785 176.000 -0.713 0.000 0.969 283 Q CA 1.239 56.973 55.803 -0.115 0.000 0.838 283 Q CB -0.378 28.449 28.738 0.148 0.000 0.900 283 Q HN 0.419 nan 8.270 nan 0.000 0.436 284 L N 1.079 121.932 121.223 -0.617 0.000 1.989 284 L HA -0.173 4.168 4.340 0.003 0.000 0.211 284 L C 1.856 178.336 176.870 -0.651 0.000 1.071 284 L CA 1.802 56.129 54.840 -0.855 0.000 0.749 284 L CB -0.503 41.373 42.059 -0.304 0.000 0.890 284 L HN 0.188 nan 8.230 nan 0.000 0.431 285 L N -0.893 120.134 121.223 -0.326 0.000 2.465 285 L HA 0.032 4.374 4.340 0.003 0.000 0.224 285 L C 2.362 179.147 176.870 -0.142 0.000 1.145 285 L CA 0.679 55.419 54.840 -0.167 0.000 0.834 285 L CB -0.931 41.113 42.059 -0.026 0.000 0.944 285 L HN 0.356 nan 8.230 nan 0.000 0.451 286 A N 0.064 122.766 122.820 -0.196 0.000 2.014 286 A HA 0.256 4.578 4.320 0.003 0.000 0.210 286 A C 2.196 179.706 177.584 -0.123 0.000 1.188 286 A CA 0.877 52.851 52.037 -0.104 0.000 0.731 286 A CB -0.336 18.646 19.000 -0.031 0.000 0.858 286 A HN 0.342 nan 8.150 nan 0.000 0.464 287 G N -0.837 107.785 108.800 -0.297 0.000 2.939 287 G HA2 0.447 4.408 3.960 0.003 0.000 0.216 287 G HA3 0.447 4.408 3.960 0.003 0.000 0.216 287 G C 0.692 175.589 174.900 -0.005 0.000 1.125 287 G CA 0.706 45.772 45.100 -0.058 0.000 0.766 287 G HN 0.691 nan 8.290 nan 0.000 0.541 288 A N 0.882 123.536 122.820 -0.276 0.000 2.406 288 A HA 0.546 4.868 4.320 0.003 0.000 0.243 288 A C 1.058 178.643 177.584 0.002 0.000 1.082 288 A CA 0.470 52.474 52.037 -0.055 0.000 0.786 288 A CB -0.064 18.846 19.000 -0.149 0.000 1.029 288 A HN 0.576 nan 8.150 nan 0.000 0.495 289 T N -1.378 113.193 114.554 0.029 0.000 2.898 289 T HA 0.430 4.782 4.350 0.003 0.000 0.301 289 T C 1.266 175.973 174.700 0.012 0.000 1.049 289 T CA 0.024 62.139 62.100 0.024 0.000 1.095 289 T CB 1.009 69.894 68.868 0.028 0.000 0.976 289 T HN 1.423 nan 8.240 nan 0.000 0.539 290 A N 1.511 124.337 122.820 0.011 0.000 2.093 290 A HA -0.120 4.201 4.320 0.003 0.000 0.222 290 A C 1.925 179.515 177.584 0.009 0.000 1.162 290 A CA 1.840 53.882 52.037 0.008 0.000 0.655 290 A CB -0.837 18.167 19.000 0.006 0.000 0.805 290 A HN 0.942 nan 8.150 nan 0.000 0.461 291 E N -0.104 120.104 120.200 0.014 0.000 2.385 291 E HA 0.014 4.366 4.350 0.003 0.000 0.194 291 E C 1.583 178.199 176.600 0.027 0.000 1.013 291 E CA 0.993 57.404 56.400 0.018 0.000 0.866 291 E CB -0.105 29.606 29.700 0.018 0.000 0.832 291 E HN 0.792 nan 8.360 nan 0.000 0.500 292 E N 0.860 121.076 120.200 0.027 0.000 2.190 292 E HA -0.017 4.335 4.350 0.003 0.000 0.191 292 E C 2.204 178.834 176.600 0.049 0.000 0.978 292 E CA 0.882 57.303 56.400 0.035 0.000 0.839 292 E CB -0.140 29.572 29.700 0.020 0.000 0.787 292 E HN 0.242 nan 8.360 nan 0.000 0.473 293 K N 2.032 122.454 120.400 0.036 0.000 1.975 293 K HA -0.255 4.067 4.320 0.003 0.000 0.225 293 K C 2.374 179.030 176.600 0.093 0.000 1.050 293 K CA 2.575 58.895 56.287 0.056 0.000 0.992 293 K CB -1.857 30.664 32.500 0.036 0.000 0.738 293 K HN 0.179 nan 8.250 nan 0.000 0.446 294 K N 0.388 120.813 120.400 0.042 0.000 2.127 294 K HA 0.068 4.390 4.320 0.003 0.000 0.208 294 K C 2.677 179.301 176.600 0.040 0.000 1.047 294 K CA 2.394 58.668 56.287 -0.021 0.000 0.927 294 K CB -1.496 30.970 32.500 -0.056 0.000 0.716 294 K HN 1.077 nan 8.250 nan 0.000 0.450 295 A N 0.269 123.149 122.820 0.099 0.000 1.940 295 A HA 0.072 4.394 4.320 0.003 0.000 0.219 295 A C 2.316 180.078 177.584 0.298 0.000 1.176 295 A CA 1.625 53.756 52.037 0.157 0.000 0.631 295 A CB -0.158 18.901 19.000 0.098 0.000 0.814 295 A HN 0.473 nan 8.150 nan 0.000 0.446 296 L N -2.459 118.932 121.223 0.280 0.000 2.607 296 L HA 0.157 4.499 4.340 0.003 0.000 0.228 296 L C -0.010 177.160 176.870 0.499 0.000 1.123 296 L CA -0.126 54.882 54.840 0.280 0.000 0.890 296 L CB -0.152 41.993 42.059 0.144 0.000 1.103 296 L HN 0.548 nan 8.230 nan 0.000 0.468 297 H N -0.715 118.444 119.070 0.148 0.000 2.819 297 H HA -0.110 4.447 4.556 0.003 0.000 0.323 297 H C -0.479 175.032 175.328 0.306 0.000 1.243 297 H CA 0.223 56.379 56.048 0.181 0.000 1.163 297 H CB -2.039 27.798 29.762 0.124 0.000 1.493 297 H HN 0.120 nan 8.280 nan 0.000 0.434 298 L N -0.689 120.713 121.223 0.299 0.000 2.334 298 L HA 0.784 5.126 4.340 0.003 0.000 0.275 298 L C 1.095 178.101 176.870 0.226 0.000 1.036 298 L CA -0.054 54.962 54.840 0.292 0.000 0.807 298 L CB 1.773 43.924 42.059 0.153 0.000 1.231 298 L HN 0.455 nan 8.230 nan 0.000 0.438 299 A N 1.802 124.800 122.820 0.296 0.000 3.827 299 A HA 0.893 5.214 4.320 0.003 0.000 0.199 299 A C -0.118 177.571 177.584 0.175 0.000 0.867 299 A CA 0.043 52.142 52.037 0.103 0.000 0.776 299 A CB 0.621 19.552 19.000 -0.114 0.000 1.446 299 A HN 0.687 nan 8.150 nan 0.000 0.768 300 G N -1.488 107.340 108.800 0.047 0.000 2.491 300 G HA2 0.527 4.489 3.960 0.003 0.000 0.327 300 G HA3 0.527 4.489 3.960 0.003 0.000 0.327 300 G C -2.011 173.005 174.900 0.194 0.000 1.189 300 G CA -1.176 43.992 45.100 0.114 0.000 0.956 300 G HN 0.287 nan 8.290 nan 0.000 0.491 301 P HA -0.083 nan 4.420 nan 0.000 0.219 301 P C 1.279 178.683 177.300 0.173 0.000 1.146 301 P CA 0.898 64.175 63.100 0.295 0.000 0.808 301 P CB 0.392 32.249 31.700 0.262 0.000 0.779 302 E N -0.040 120.202 120.200 0.071 0.000 2.268 302 E HA -0.082 4.270 4.350 0.003 0.000 0.195 302 E C 1.833 178.391 176.600 -0.071 0.000 0.995 302 E CA 1.083 57.490 56.400 0.012 0.000 0.836 302 E CB -0.489 29.214 29.700 0.005 0.000 0.763 302 E HN 0.319 nan 8.360 nan 0.000 0.491 303 S N -0.538 115.039 115.700 -0.204 0.000 2.631 303 S HA 0.100 4.571 4.470 0.003 0.000 0.217 303 S C 0.222 174.403 174.600 -0.698 0.000 0.958 303 S CA -0.407 57.523 58.200 -0.450 0.000 0.920 303 S CB -0.237 62.611 63.200 -0.586 0.000 0.776 303 S HN -0.030 nan 8.310 nan 0.000 0.517 304 F N 1.085 121.017 119.950 -0.030 0.000 2.540 304 F HA 0.532 5.060 4.527 0.003 0.000 0.317 304 F C 1.071 176.837 175.800 -0.056 0.000 1.104 304 F CA -1.307 56.654 58.000 -0.064 0.000 0.913 304 F CB 1.498 40.443 39.000 -0.093 0.000 1.170 304 F HN -0.144 nan 8.300 nan 0.000 0.450 305 N N 1.235 119.997 118.700 0.103 0.000 2.166 305 N HA -0.179 4.563 4.740 0.003 0.000 0.186 305 N C 1.628 177.250 175.510 0.186 0.000 1.019 305 N CA 1.345 54.440 53.050 0.075 0.000 0.856 305 N CB -0.173 38.311 38.487 -0.005 0.000 0.993 305 N HN 0.680 nan 8.380 nan 0.000 0.426 306 Y N 0.265 120.561 120.300 -0.006 0.000 2.497 306 Y HA -0.025 4.527 4.550 0.003 0.000 0.292 306 Y C 1.377 177.163 175.900 -0.189 0.000 1.137 306 Y CA 0.294 58.307 58.100 -0.144 0.000 1.285 306 Y CB 0.258 38.540 38.460 -0.297 0.000 0.991 306 Y HN 0.018 nan 8.280 nan 0.000 0.556 307 L N -1.159 120.108 121.223 0.072 0.000 2.920 307 L HA 0.122 4.463 4.340 0.003 0.000 0.257 307 L C 0.446 177.389 176.870 0.122 0.000 1.150 307 L CA -0.101 54.776 54.840 0.062 0.000 0.959 307 L CB 0.057 42.111 42.059 -0.008 0.000 1.321 307 L HN 0.055 nan 8.230 nan 0.000 0.555 308 N N -1.508 117.251 118.700 0.098 0.000 2.321 308 N HA 0.042 4.783 4.740 0.003 0.000 0.242 308 N C 1.031 176.565 175.510 0.039 0.000 1.141 308 N CA -0.072 53.019 53.050 0.069 0.000 0.864 308 N CB 0.306 38.825 38.487 0.052 0.000 1.100 308 N HN 0.110 nan 8.380 nan 0.000 0.510 309 Q N -0.389 119.426 119.800 0.025 0.000 2.391 309 Q HA 0.123 4.465 4.340 0.003 0.000 0.243 309 Q C 1.365 177.340 176.000 -0.041 0.000 0.874 309 Q CA 0.825 56.630 55.803 0.002 0.000 0.950 309 Q CB 0.437 29.184 28.738 0.015 0.000 1.103 309 Q HN 0.551 nan 8.270 nan 0.000 0.544 310 S N -0.648 115.010 115.700 -0.070 0.000 2.428 310 S HA 0.044 4.515 4.470 0.003 0.000 0.230 310 S C 1.581 176.143 174.600 -0.064 0.000 1.014 310 S CA 1.145 59.282 58.200 -0.105 0.000 0.957 310 S CB 0.011 63.136 63.200 -0.125 0.000 0.784 310 S HN 0.443 nan 8.310 nan 0.000 0.499 311 G N -0.002 108.778 108.800 -0.034 0.000 2.175 311 G HA2 -0.256 3.706 3.960 0.003 0.000 0.244 311 G HA3 -0.256 3.706 3.960 0.003 0.000 0.244 311 G C 0.113 174.994 174.900 -0.031 0.000 0.982 311 G CA -0.040 45.045 45.100 -0.024 0.000 0.641 311 G HN 1.065 nan 8.290 nan 0.000 0.527 312 C N 0.732 120.006 119.300 -0.043 0.000 2.369 312 C HA 0.774 5.236 4.460 0.003 0.000 0.322 312 C C 1.433 176.374 174.990 -0.080 0.000 1.258 312 C CA 0.244 59.221 59.018 -0.068 0.000 1.487 312 C CB 1.191 28.875 27.740 -0.094 0.000 2.165 312 C HN 1.403 nan 8.230 nan 0.000 0.483 313 V N 1.890 121.747 119.914 -0.095 0.000 3.382 313 V HA 0.424 4.546 4.120 0.003 0.000 0.296 313 V C -0.446 175.488 176.094 -0.267 0.000 1.529 313 V CA 0.498 62.723 62.300 -0.124 0.000 1.048 313 V CB -0.025 31.867 31.823 0.114 0.000 0.878 313 V HN 0.894 nan 8.190 nan 0.000 0.442 314 D N 0.115 120.392 120.400 -0.204 0.000 2.661 314 D HA 0.556 5.198 4.640 0.003 0.000 0.228 314 D C -0.788 175.431 176.300 -0.134 0.000 1.210 314 D CA -0.613 53.288 54.000 -0.164 0.000 0.826 314 D CB 1.627 42.380 40.800 -0.078 0.000 1.542 314 D HN 0.248 nan 8.370 nan 0.000 0.447 315 I N -0.582 119.923 120.570 -0.109 0.000 2.404 315 I HA 0.549 4.720 4.170 0.003 0.000 0.293 315 I C 0.575 176.661 176.117 -0.052 0.000 0.992 315 I CA -1.455 59.799 61.300 -0.077 0.000 1.149 315 I CB 1.403 39.363 38.000 -0.067 0.000 1.315 315 I HN 0.573 nan 8.210 nan 0.000 0.446 316 K N 3.990 124.365 120.400 -0.041 0.000 2.382 316 K HA 0.453 4.774 4.320 0.003 0.000 0.286 316 K C 0.941 177.527 176.600 -0.022 0.000 1.062 316 K CA 0.336 56.605 56.287 -0.030 0.000 1.000 316 K CB -0.460 32.023 32.500 -0.028 0.000 0.954 316 K HN 1.215 nan 8.250 nan 0.000 0.470 317 G N 0.065 108.854 108.800 -0.019 0.000 2.134 317 G HA2 -0.086 3.876 3.960 0.003 0.000 0.209 317 G HA3 -0.086 3.876 3.960 0.003 0.000 0.209 317 G C -0.144 174.746 174.900 -0.017 0.000 0.993 317 G CA -0.038 45.055 45.100 -0.012 0.000 0.669 317 G HN 1.422 nan 8.290 nan 0.000 0.519 318 V N 0.394 120.293 119.914 -0.026 0.000 2.577 318 V HA 0.770 4.892 4.120 0.003 0.000 0.303 318 V C 0.233 176.313 176.094 -0.023 0.000 1.042 318 V CA -0.201 62.079 62.300 -0.033 0.000 0.872 318 V CB 1.922 33.706 31.823 -0.065 0.000 0.998 318 V HN 0.841 nan 8.190 nan 0.000 0.423 319 S N 1.967 117.661 115.700 -0.009 0.000 2.488 319 S HA 0.276 4.747 4.470 0.003 0.000 0.310 319 S C 0.555 175.169 174.600 0.023 0.000 1.093 319 S CA -0.559 57.647 58.200 0.009 0.000 1.129 319 S CB 0.552 63.763 63.200 0.018 0.000 0.989 319 S HN 0.752 nan 8.310 nan 0.000 0.479 320 D N 2.967 123.382 120.400 0.026 0.000 2.182 320 D HA -0.109 4.533 4.640 0.003 0.000 0.201 320 D C 1.837 178.184 176.300 0.079 0.000 0.986 320 D CA 1.582 55.614 54.000 0.053 0.000 0.847 320 D CB 0.093 40.937 40.800 0.073 0.000 0.942 320 D HN 0.578 nan 8.370 nan 0.000 0.467 321 S N 0.344 116.082 115.700 0.063 0.000 2.371 321 S HA -0.105 4.367 4.470 0.003 0.000 0.224 321 S C 1.730 176.417 174.600 0.145 0.000 1.029 321 S CA 0.704 58.960 58.200 0.093 0.000 0.978 321 S CB -0.105 63.129 63.200 0.057 0.000 0.833 321 S HN 0.215 nan 8.310 nan 0.000 0.466 322 E N 1.268 121.524 120.200 0.092 0.000 2.107 322 E HA -0.039 4.312 4.350 0.003 0.000 0.191 322 E C 1.942 178.595 176.600 0.088 0.000 0.982 322 E CA 0.609 57.057 56.400 0.079 0.000 0.809 322 E CB -0.224 29.504 29.700 0.047 0.000 0.756 322 E HN 0.447 nan 8.360 nan 0.000 0.459 323 E N 0.062 120.317 120.200 0.092 0.000 2.268 323 E HA -0.127 4.225 4.350 0.003 0.000 0.195 323 E C 1.720 178.411 176.600 0.150 0.000 0.995 323 E CA 0.263 56.716 56.400 0.090 0.000 0.836 323 E CB -0.239 29.490 29.700 0.048 0.000 0.763 323 E HN 0.202 nan 8.360 nan 0.000 0.491 324 F N 1.858 121.820 119.950 0.020 0.000 2.325 324 F HA -0.043 4.485 4.527 0.003 0.000 0.299 324 F C 1.912 177.728 175.800 0.026 0.000 1.090 324 F CA 0.971 58.984 58.000 0.022 0.000 1.392 324 F CB 0.190 39.183 39.000 -0.011 0.000 1.053 324 F HN -0.158 nan 8.300 nan 0.000 0.521 325 K N 0.349 120.746 120.400 -0.005 0.000 2.031 325 K HA -0.108 4.214 4.320 0.003 0.000 0.205 325 K C 2.160 178.712 176.600 -0.081 0.000 1.049 325 K CA 1.738 57.968 56.287 -0.094 0.000 0.939 325 K CB -0.324 32.171 32.500 -0.009 0.000 0.717 325 K HN 0.296 nan 8.250 nan 0.000 0.438 326 I N 1.133 121.695 120.570 -0.012 0.000 2.118 326 I HA -0.317 3.855 4.170 0.003 0.000 0.241 326 I C 2.301 178.424 176.117 0.011 0.000 1.070 326 I CA 1.572 62.878 61.300 0.010 0.000 1.327 326 I CB -1.026 36.996 38.000 0.038 0.000 1.034 326 I HN 0.215 nan 8.210 nan 0.000 0.405 327 T N 0.719 115.288 114.554 0.024 0.000 2.622 327 T HA -0.201 4.150 4.350 0.003 0.000 0.266 327 T C 2.031 176.740 174.700 0.015 0.000 1.047 327 T CA 1.502 63.638 62.100 0.060 0.000 1.159 327 T CB -0.330 68.619 68.868 0.135 0.000 0.863 327 T HN 0.305 nan 8.240 nan 0.000 0.422 328 R N 0.794 121.222 120.500 -0.121 0.000 2.105 328 R HA -0.108 4.234 4.340 0.003 0.000 0.239 328 R C 2.767 179.041 176.300 -0.044 0.000 1.135 328 R CA 1.358 57.382 56.100 -0.128 0.000 0.967 328 R CB -0.265 29.808 30.300 -0.378 0.000 0.861 328 R HN 0.568 nan 8.270 nan 0.000 0.442 329 Q N 0.111 119.882 119.800 -0.048 0.000 1.967 329 Q HA -0.149 4.193 4.340 0.003 0.000 0.202 329 Q C 2.344 178.356 176.000 0.020 0.000 0.985 329 Q CA 1.653 57.449 55.803 -0.012 0.000 0.839 329 Q CB -0.278 28.454 28.738 -0.011 0.000 0.906 329 Q HN 0.371 nan 8.270 nan 0.000 0.423 330 A N 1.150 123.989 122.820 0.031 0.000 1.927 330 A HA -0.262 4.060 4.320 0.003 0.000 0.220 330 A C 2.106 179.742 177.584 0.086 0.000 1.185 330 A CA 2.009 54.077 52.037 0.051 0.000 0.639 330 A CB -0.727 18.309 19.000 0.059 0.000 0.820 330 A HN 0.359 nan 8.150 nan 0.000 0.451 331 M N -0.847 118.811 119.600 0.097 0.000 2.149 331 M HA -0.167 4.315 4.480 0.003 0.000 0.261 331 M C 1.601 178.026 176.300 0.209 0.000 1.064 331 M CA 1.691 57.104 55.300 0.189 0.000 1.102 331 M CB -0.772 31.875 32.600 0.078 0.000 1.369 331 M HN 0.381 nan 8.290 nan 0.000 0.408 332 D N 0.898 121.364 120.400 0.109 0.000 2.097 332 D HA -0.100 4.542 4.640 0.003 0.000 0.195 332 D C 1.991 178.316 176.300 0.041 0.000 0.989 332 D CA 1.356 55.400 54.000 0.072 0.000 0.827 332 D CB -0.132 40.691 40.800 0.039 0.000 0.966 332 D HN 0.372 nan 8.370 nan 0.000 0.456 333 I N 0.800 121.389 120.570 0.032 0.000 2.113 333 I HA -0.247 3.924 4.170 0.003 0.000 0.238 333 I C 2.533 178.638 176.117 -0.020 0.000 1.070 333 I CA 0.721 62.024 61.300 0.004 0.000 1.332 333 I CB -0.227 37.776 38.000 0.005 0.000 1.044 333 I HN -0.133 nan 8.210 nan 0.000 0.402 334 V N 0.653 120.563 119.914 -0.006 0.000 2.568 334 V HA -0.175 3.946 4.120 0.003 0.000 0.253 334 V C 1.449 177.441 176.094 -0.170 0.000 1.072 334 V CA 1.697 63.953 62.300 -0.073 0.000 1.084 334 V CB -1.007 30.802 31.823 -0.024 0.000 0.676 334 V HN 0.818 nan 8.190 nan 0.000 0.469 335 G N -1.110 107.619 108.800 -0.118 0.000 2.186 335 G HA2 -0.183 3.779 3.960 0.003 0.000 0.130 335 G HA3 -0.183 3.779 3.960 0.003 0.000 0.130 335 G C -0.258 174.511 174.900 -0.220 0.000 1.031 335 G CA -0.649 44.352 45.100 -0.165 0.000 0.697 335 G HN 0.304 nan 8.290 nan 0.000 0.494 336 F N 2.566 122.482 119.950 -0.057 0.000 2.445 336 F HA 0.507 5.036 4.527 0.003 0.000 0.359 336 F C 1.462 177.265 175.800 0.005 0.000 1.101 336 F CA 0.365 58.343 58.000 -0.036 0.000 1.177 336 F CB 1.328 40.306 39.000 -0.036 0.000 1.110 336 F HN 0.283 nan 8.300 nan 0.000 0.522 337 S N 3.031 118.833 115.700 0.169 0.000 2.563 337 S HA -0.072 4.400 4.470 0.003 0.000 0.284 337 S C 1.168 175.859 174.600 0.152 0.000 1.331 337 S CA -0.632 57.642 58.200 0.123 0.000 1.047 337 S CB 1.121 64.382 63.200 0.101 0.000 0.859 337 S HN 0.751 nan 8.310 nan 0.000 0.514 338 Q N 1.704 121.570 119.800 0.111 0.000 2.181 338 Q HA -0.120 4.221 4.340 0.003 0.000 0.205 338 Q C 1.685 177.760 176.000 0.125 0.000 0.980 338 Q CA 2.265 58.136 55.803 0.113 0.000 0.862 338 Q CB -0.202 28.584 28.738 0.080 0.000 0.905 338 Q HN 0.905 nan 8.270 nan 0.000 0.429 339 E N -0.592 119.675 120.200 0.111 0.000 2.299 339 E HA -0.067 4.284 4.350 0.003 0.000 0.193 339 E C 1.426 178.100 176.600 0.124 0.000 0.998 339 E CA 0.590 57.053 56.400 0.105 0.000 0.851 339 E CB 0.057 29.806 29.700 0.082 0.000 0.795 339 E HN 0.409 nan 8.360 nan 0.000 0.492 340 E N 0.502 120.804 120.200 0.169 0.000 2.152 340 E HA -0.122 4.230 4.350 0.003 0.000 0.192 340 E C 1.743 178.442 176.600 0.166 0.000 0.983 340 E CA 0.717 57.258 56.400 0.235 0.000 0.818 340 E CB 0.113 30.063 29.700 0.417 0.000 0.758 340 E HN 0.331 nan 8.360 nan 0.000 0.467 341 Q N -0.315 119.582 119.800 0.161 0.000 2.245 341 Q HA -0.057 4.285 4.340 0.003 0.000 0.201 341 Q C 2.041 178.177 176.000 0.227 0.000 0.955 341 Q CA 0.817 56.692 55.803 0.121 0.000 0.870 341 Q CB -0.010 28.857 28.738 0.215 0.000 0.945 341 Q HN 0.310 nan 8.270 nan 0.000 0.461 342 M N 0.474 120.198 119.600 0.208 0.000 2.067 342 M HA -0.173 4.309 4.480 0.003 0.000 0.260 342 M C 2.296 178.695 176.300 0.166 0.000 1.069 342 M CA 1.415 56.850 55.300 0.226 0.000 1.117 342 M CB -0.163 32.521 32.600 0.141 0.000 1.334 342 M HN 0.065 nan 8.290 nan 0.000 0.407 343 S N 0.743 116.481 115.700 0.063 0.000 2.387 343 S HA -0.129 4.343 4.470 0.003 0.000 0.230 343 S C 1.790 176.335 174.600 -0.091 0.000 1.035 343 S CA 1.245 59.436 58.200 -0.014 0.000 1.014 343 S CB -0.582 62.584 63.200 -0.057 0.000 0.836 343 S HN 0.394 nan 8.310 nan 0.000 0.466 344 I N 0.074 120.530 120.570 -0.190 0.000 2.361 344 I HA -0.159 4.013 4.170 0.003 0.000 0.251 344 I C 1.647 177.599 176.117 -0.275 0.000 1.133 344 I CA 1.229 62.321 61.300 -0.347 0.000 1.413 344 I CB -0.298 37.360 38.000 -0.570 0.000 1.073 344 I HN 0.227 nan 8.210 nan 0.000 0.424 345 F N 0.834 120.809 119.950 0.041 0.000 2.416 345 F HA -0.007 4.522 4.527 0.003 0.000 0.296 345 F C 2.402 178.194 175.800 -0.014 0.000 1.099 345 F CA 0.815 58.841 58.000 0.044 0.000 1.427 345 F CB -0.485 38.569 39.000 0.090 0.000 1.079 345 F HN -0.145 nan 8.300 nan 0.000 0.536 346 K N 0.357 120.834 120.400 0.127 0.000 2.057 346 K HA -0.093 4.228 4.320 0.003 0.000 0.206 346 K C 2.058 178.582 176.600 -0.128 0.000 1.050 346 K CA 1.196 57.479 56.287 -0.006 0.000 0.935 346 K CB -0.263 32.229 32.500 -0.013 0.000 0.715 346 K HN 0.222 nan 8.250 nan 0.000 0.439 347 I N 1.100 121.644 120.570 -0.043 0.000 2.179 347 I HA -0.294 3.878 4.170 0.003 0.000 0.242 347 I C 2.084 178.264 176.117 0.106 0.000 1.088 347 I CA 0.795 62.130 61.300 0.058 0.000 1.357 347 I CB -0.222 37.838 38.000 0.099 0.000 1.051 347 I HN 0.120 nan 8.210 nan 0.000 0.409 348 I N 1.186 121.812 120.570 0.093 0.000 2.163 348 I HA -0.308 3.864 4.170 0.003 0.000 0.243 348 I C 2.866 179.040 176.117 0.096 0.000 1.085 348 I CA 1.876 63.255 61.300 0.132 0.000 1.347 348 I CB -1.647 36.375 38.000 0.036 0.000 1.044 348 I HN 0.202 nan 8.210 nan 0.000 0.408 349 A N 0.917 123.715 122.820 -0.037 0.000 1.851 349 A HA -0.148 4.174 4.320 0.003 0.000 0.216 349 A C 2.546 179.951 177.584 -0.299 0.000 1.195 349 A CA 2.187 54.104 52.037 -0.201 0.000 0.622 349 A CB -1.502 17.417 19.000 -0.135 0.000 0.831 349 A HN 0.425 nan 8.150 nan 0.000 0.444 350 G N -0.114 108.479 108.800 -0.345 0.000 2.476 350 G HA2 -0.267 3.695 3.960 0.003 0.000 0.218 350 G HA3 -0.267 3.695 3.960 0.003 0.000 0.218 350 G C 1.553 176.547 174.900 0.157 0.000 1.164 350 G CA 1.207 46.034 45.100 -0.456 0.000 0.768 350 G HN 0.476 nan 8.290 nan 0.000 0.560 351 I N 0.247 121.016 120.570 0.331 0.000 2.194 351 I HA -0.185 3.987 4.170 0.003 0.000 0.246 351 I C 2.776 179.032 176.117 0.232 0.000 1.093 351 I CA 0.764 62.330 61.300 0.443 0.000 1.355 351 I CB -0.165 38.140 38.000 0.509 0.000 1.046 351 I HN 0.158 nan 8.210 nan 0.000 0.413 352 L N -0.281 120.948 121.223 0.010 0.000 2.079 352 L HA -0.270 4.071 4.340 0.003 0.000 0.210 352 L C 2.679 179.403 176.870 -0.244 0.000 1.081 352 L CA 1.195 55.852 54.840 -0.306 0.000 0.752 352 L CB -0.694 40.901 42.059 -0.774 0.000 0.896 352 L HN 0.375 nan 8.230 nan 0.000 0.433 353 H N -0.422 118.658 119.070 0.016 0.000 2.363 353 H HA -0.076 4.481 4.556 0.003 0.000 0.301 353 H C 2.343 177.698 175.328 0.046 0.000 1.074 353 H CA 1.221 57.319 56.048 0.082 0.000 1.354 353 H CB -0.300 29.509 29.762 0.079 0.000 1.397 353 H HN 0.295 nan 8.280 nan 0.000 0.516 354 L N -0.164 121.189 121.223 0.217 0.000 2.127 354 L HA -0.098 4.243 4.340 0.003 0.000 0.211 354 L C 2.636 179.480 176.870 -0.043 0.000 1.089 354 L CA 1.169 56.108 54.840 0.164 0.000 0.757 354 L CB -0.629 41.598 42.059 0.279 0.000 0.899 354 L HN 0.288 nan 8.230 nan 0.000 0.434 355 G N -0.791 107.785 108.800 -0.373 0.000 2.484 355 G HA2 -0.189 3.772 3.960 0.003 0.000 0.218 355 G HA3 -0.189 3.772 3.960 0.003 0.000 0.218 355 G C 1.267 175.910 174.900 -0.428 0.000 1.130 355 G CA 0.199 44.714 45.100 -0.975 0.000 0.784 355 G HN 0.289 nan 8.290 nan 0.000 0.543 356 N N 0.245 118.836 118.700 -0.182 0.000 2.461 356 N HA 0.115 4.857 4.740 0.003 0.000 0.188 356 N C 0.599 176.060 175.510 -0.081 0.000 1.134 356 N CA -0.087 52.928 53.050 -0.058 0.000 0.878 356 N CB 0.115 38.652 38.487 0.084 0.000 0.972 356 N HN 0.291 nan 8.380 nan 0.000 0.456 357 I N 1.057 121.555 120.570 -0.121 0.000 2.556 357 I HA -0.030 4.142 4.170 0.003 0.000 0.284 357 I C 0.577 176.499 176.117 -0.326 0.000 1.114 357 I CA -0.178 60.973 61.300 -0.248 0.000 1.418 357 I CB 0.539 38.349 38.000 -0.317 0.000 1.394 357 I HN -0.190 nan 8.210 nan 0.000 0.552 358 K N 7.643 127.833 120.400 -0.349 0.000 2.425 358 K HA 0.418 4.740 4.320 0.003 0.000 0.259 358 K C -1.299 175.130 176.600 -0.286 0.000 0.978 358 K CA -0.266 55.883 56.287 -0.229 0.000 0.883 358 K CB 0.446 32.891 32.500 -0.091 0.000 1.110 358 K HN 0.191 nan 8.250 nan 0.000 0.436 359 F N 2.610 122.585 119.950 0.042 0.000 2.396 359 F HA 0.360 4.888 4.527 0.003 0.000 0.343 359 F C 0.841 176.665 175.800 0.039 0.000 1.104 359 F CA -0.217 57.812 58.000 0.048 0.000 1.161 359 F CB 1.020 40.055 39.000 0.059 0.000 1.146 359 F HN 0.329 nan 8.300 nan 0.000 0.522 360 E N 1.428 121.748 120.200 0.201 0.000 2.244 360 E HA 0.506 4.857 4.350 0.003 0.000 0.266 360 E C 0.371 177.042 176.600 0.118 0.000 0.914 360 E CA -0.452 56.021 56.400 0.123 0.000 0.794 360 E CB 1.871 31.614 29.700 0.072 0.000 1.210 360 E HN 0.618 nan 8.360 nan 0.000 0.414 361 K N 0.838 121.281 120.400 0.073 0.000 2.878 361 K HA 0.375 4.697 4.320 0.003 0.000 0.204 361 K C 1.405 178.021 176.600 0.026 0.000 1.093 361 K CA 1.216 57.527 56.287 0.040 0.000 1.250 361 K CB -1.417 31.094 32.500 0.017 0.000 1.692 361 K HN 0.717 nan 8.250 nan 0.000 0.470 362 G N -0.032 108.777 108.800 0.015 0.000 5.359 362 G HA2 -0.242 3.720 3.960 0.003 0.000 0.333 362 G HA3 -0.242 3.720 3.960 0.003 0.000 0.333 362 G C 1.940 176.841 174.900 0.002 0.000 1.365 362 G CA 2.834 47.941 45.100 0.011 0.000 1.008 362 G HN 1.760 nan 8.290 nan 0.000 0.816 363 A N -0.383 122.441 122.820 0.007 0.000 1.916 363 A HA 0.172 4.494 4.320 0.003 0.000 0.224 363 A C 2.689 180.266 177.584 -0.011 0.000 1.366 363 A CA 4.166 56.206 52.037 0.005 0.000 0.692 363 A CB -1.006 18.005 19.000 0.019 0.000 0.841 363 A HN 2.457 nan 8.150 nan 0.000 0.480 364 G N -4.722 104.057 108.800 -0.036 0.000 3.385 364 G HA2 0.468 4.430 3.960 0.003 0.000 0.179 364 G HA3 0.468 4.430 3.960 0.003 0.000 0.179 364 G C 0.763 175.624 174.900 -0.063 0.000 1.433 364 G CA 1.249 46.321 45.100 -0.045 0.000 1.086 364 G HN 0.823 nan 8.290 nan 0.000 0.763 365 E N -0.345 119.792 120.200 -0.105 0.000 2.453 365 E HA 0.514 4.866 4.350 0.003 0.000 0.211 365 E C 1.154 177.644 176.600 -0.184 0.000 0.897 365 E CA 0.690 57.025 56.400 -0.109 0.000 1.063 365 E CB 0.457 30.110 29.700 -0.077 0.000 1.080 365 E HN 0.926 nan 8.360 nan 0.000 0.512 366 G N -0.164 108.412 108.800 -0.373 0.000 2.502 366 G HA2 0.589 4.551 3.960 0.003 0.000 0.305 366 G HA3 0.589 4.551 3.960 0.003 0.000 0.305 366 G C 0.374 175.040 174.900 -0.390 0.000 1.190 366 G CA 0.132 44.818 45.100 -0.691 0.000 0.933 366 G HN 0.753 nan 8.290 nan 0.000 0.503 367 A N -1.222 121.553 122.820 -0.075 0.000 2.272 367 A HA 0.739 5.061 4.320 0.003 0.000 0.275 367 A C -0.301 177.486 177.584 0.338 0.000 1.096 367 A CA -0.422 51.717 52.037 0.170 0.000 0.822 367 A CB 1.303 20.416 19.000 0.189 0.000 1.088 367 A HN 1.709 nan 8.150 nan 0.000 0.495 368 V N 0.349 120.433 119.914 0.284 0.000 3.120 368 V HA 0.426 4.547 4.120 0.003 0.000 0.303 368 V C -1.492 174.712 176.094 0.183 0.000 1.238 368 V CA -0.729 61.714 62.300 0.238 0.000 1.008 368 V CB 2.079 34.004 31.823 0.169 0.000 1.064 368 V HN 0.790 nan 8.190 nan 0.000 0.434 369 L N 5.914 127.210 121.223 0.121 0.000 2.314 369 L HA 0.434 4.776 4.340 0.003 0.000 0.275 369 L C 1.390 178.270 176.870 0.016 0.000 1.068 369 L CA 0.317 55.176 54.840 0.032 0.000 0.894 369 L CB 0.984 43.050 42.059 0.013 0.000 1.275 369 L HN 1.052 nan 8.230 nan 0.000 0.432 370 K N 2.479 122.883 120.400 0.007 0.000 2.001 370 K HA -0.119 4.203 4.320 0.003 0.000 0.208 370 K C 0.649 177.242 176.600 -0.011 0.000 1.048 370 K CA 1.190 57.480 56.287 0.004 0.000 0.932 370 K CB -0.093 32.410 32.500 0.006 0.000 0.715 370 K HN 0.549 nan 8.250 nan 0.000 0.437 371 D N -0.498 119.885 120.400 -0.029 0.000 2.193 371 D HA 0.329 4.970 4.640 0.003 0.000 0.244 371 D C -0.248 176.022 176.300 -0.050 0.000 1.064 371 D CA -0.339 53.639 54.000 -0.036 0.000 0.845 371 D CB 1.687 42.462 40.800 -0.041 0.000 1.148 371 D HN 0.221 nan 8.370 nan 0.000 0.464 372 K N 2.136 122.513 120.400 -0.040 0.000 2.387 372 K HA 0.189 4.510 4.320 0.003 0.000 0.203 372 K C 1.606 178.179 176.600 -0.045 0.000 1.030 372 K CA 0.420 56.682 56.287 -0.042 0.000 1.099 372 K CB 0.615 33.099 32.500 -0.027 0.000 0.863 372 K HN 0.586 nan 8.250 nan 0.000 0.529 373 T N 1.300 115.827 114.554 -0.046 0.000 2.570 373 T HA -0.254 4.098 4.350 0.003 0.000 0.266 373 T C 2.036 176.693 174.700 -0.072 0.000 1.071 373 T CA 2.441 64.512 62.100 -0.049 0.000 1.172 373 T CB -0.547 68.296 68.868 -0.042 0.000 0.864 373 T HN 0.184 nan 8.240 nan 0.000 0.421 374 A N 0.594 123.377 122.820 -0.062 0.000 1.883 374 A HA 0.078 4.400 4.320 0.003 0.000 0.217 374 A C 2.568 180.133 177.584 -0.032 0.000 1.186 374 A CA 1.909 53.920 52.037 -0.043 0.000 0.624 374 A CB -0.928 18.067 19.000 -0.008 0.000 0.822 374 A HN 0.678 nan 8.150 nan 0.000 0.444 375 L N -0.166 121.037 121.223 -0.032 0.000 1.956 375 L HA -0.325 4.017 4.340 0.003 0.000 0.216 375 L C 2.343 179.213 176.870 0.001 0.000 1.073 375 L CA 2.331 57.173 54.840 0.004 0.000 0.762 375 L CB -0.621 41.430 42.059 -0.013 0.000 0.889 375 L HN 0.414 nan 8.230 nan 0.000 0.433 376 N N 0.538 119.216 118.700 -0.035 0.000 2.049 376 N HA -0.282 4.460 4.740 0.003 0.000 0.198 376 N C 1.762 177.215 175.510 -0.094 0.000 1.030 376 N CA 2.012 55.032 53.050 -0.050 0.000 0.870 376 N CB -0.855 37.602 38.487 -0.050 0.000 1.045 376 N HN 0.574 nan 8.380 nan 0.000 0.434 377 A N 0.645 123.352 122.820 -0.188 0.000 1.940 377 A HA -0.023 4.299 4.320 0.003 0.000 0.219 377 A C 2.379 179.847 177.584 -0.194 0.000 1.176 377 A CA 2.284 54.084 52.037 -0.395 0.000 0.631 377 A CB -0.934 17.563 19.000 -0.837 0.000 0.814 377 A HN 0.395 nan 8.150 nan 0.000 0.446 378 A N -0.493 122.340 122.820 0.020 0.000 1.841 378 A HA -0.048 4.274 4.320 0.003 0.000 0.214 378 A C 2.435 180.187 177.584 0.281 0.000 1.195 378 A CA 2.019 54.204 52.037 0.247 0.000 0.611 378 A CB -1.103 18.174 19.000 0.463 0.000 0.835 378 A HN 0.486 nan 8.150 nan 0.000 0.443 379 S N -0.687 115.149 115.700 0.227 0.000 2.372 379 S HA -0.231 4.241 4.470 0.003 0.000 0.227 379 S C 2.102 176.748 174.600 0.077 0.000 1.044 379 S CA 1.973 60.265 58.200 0.153 0.000 1.050 379 S CB -0.872 62.347 63.200 0.032 0.000 0.901 379 S HN 0.754 nan 8.310 nan 0.000 0.447 380 T N 2.250 116.795 114.554 -0.015 0.000 2.555 380 T HA -0.161 4.191 4.350 0.003 0.000 0.264 380 T C 2.033 176.698 174.700 -0.058 0.000 1.083 380 T CA 2.422 64.482 62.100 -0.067 0.000 1.179 380 T CB -0.762 68.007 68.868 -0.166 0.000 0.863 380 T HN 0.347 nan 8.240 nan 0.000 0.412 381 V N -1.105 118.734 119.914 -0.125 0.000 2.546 381 V HA -0.093 4.029 4.120 0.003 0.000 0.254 381 V C 2.185 178.187 176.094 -0.153 0.000 1.076 381 V CA 1.991 64.193 62.300 -0.164 0.000 1.087 381 V CB -1.402 30.279 31.823 -0.236 0.000 0.674 381 V HN 0.572 nan 8.190 nan 0.000 0.470 382 F N 1.776 121.774 119.950 0.079 0.000 2.416 382 F HA 0.465 4.994 4.527 0.003 0.000 0.296 382 F C 2.082 177.906 175.800 0.041 0.000 1.099 382 F CA 0.921 58.993 58.000 0.121 0.000 1.427 382 F CB -0.157 38.987 39.000 0.240 0.000 1.079 382 F HN 0.424 nan 8.300 nan 0.000 0.536 383 G N 1.230 110.124 108.800 0.157 0.000 2.171 383 G HA2 -0.167 3.795 3.960 0.003 0.000 0.238 383 G HA3 -0.167 3.795 3.960 0.003 0.000 0.238 383 G C -0.289 174.601 174.900 -0.017 0.000 1.039 383 G CA 0.021 45.155 45.100 0.056 0.000 0.759 383 G HN 0.414 nan 8.290 nan 0.000 0.501 384 V N -4.137 115.739 119.914 -0.063 0.000 2.919 384 V HA 0.926 5.048 4.120 0.003 0.000 0.316 384 V C 0.350 176.350 176.094 -0.157 0.000 1.077 384 V CA -0.504 61.658 62.300 -0.230 0.000 0.977 384 V CB 1.591 33.062 31.823 -0.588 0.000 1.039 384 V HN 1.263 nan 8.190 nan 0.000 0.441 385 N N 2.392 120.990 118.700 -0.171 0.000 2.663 385 N HA 0.397 5.139 4.740 0.003 0.000 0.250 385 N C -1.103 174.347 175.510 -0.100 0.000 1.129 385 N CA -1.052 51.931 53.050 -0.111 0.000 0.995 385 N CB -0.236 38.196 38.487 -0.091 0.000 1.324 385 N HN 0.807 nan 8.380 nan 0.000 0.512 386 P HA -0.372 nan 4.420 nan 0.000 0.230 386 P C 1.418 178.695 177.300 -0.038 0.000 1.124 386 P CA 2.349 65.424 63.100 -0.043 0.000 0.985 386 P CB -0.052 31.632 31.700 -0.026 0.000 0.774 387 S N -1.173 114.504 115.700 -0.037 0.000 2.419 387 S HA -0.093 4.379 4.470 0.003 0.000 0.235 387 S C 1.958 176.535 174.600 -0.038 0.000 1.019 387 S CA 1.457 59.639 58.200 -0.030 0.000 0.982 387 S CB -1.038 62.146 63.200 -0.027 0.000 0.789 387 S HN 0.063 nan 8.310 nan 0.000 0.490 388 V N 1.388 121.266 119.914 -0.060 0.000 2.331 388 V HA -0.026 4.096 4.120 0.003 0.000 0.242 388 V C 2.204 178.256 176.094 -0.069 0.000 1.034 388 V CA 0.901 63.157 62.300 -0.073 0.000 1.027 388 V CB -0.916 30.845 31.823 -0.103 0.000 0.667 388 V HN 0.345 nan 8.190 nan 0.000 0.457 389 L N 0.916 122.084 121.223 -0.092 0.000 1.997 389 L HA -0.241 4.101 4.340 0.003 0.000 0.216 389 L C 2.444 179.327 176.870 0.020 0.000 1.074 389 L CA 2.483 57.291 54.840 -0.054 0.000 0.763 389 L CB -1.100 40.928 42.059 -0.051 0.000 0.890 389 L HN 0.516 nan 8.230 nan 0.000 0.434 390 E N -0.812 119.399 120.200 0.020 0.000 2.065 390 E HA -0.333 4.019 4.350 0.003 0.000 0.201 390 E C 2.215 178.834 176.600 0.032 0.000 1.016 390 E CA 1.843 58.271 56.400 0.047 0.000 0.818 390 E CB -0.075 29.638 29.700 0.022 0.000 0.749 390 E HN 0.279 nan 8.360 nan 0.000 0.453 391 K N 0.250 120.646 120.400 -0.007 0.000 2.026 391 K HA -0.079 4.242 4.320 0.003 0.000 0.208 391 K C 1.781 178.364 176.600 -0.028 0.000 1.048 391 K CA 1.497 57.764 56.287 -0.033 0.000 0.929 391 K CB -0.598 31.878 32.500 -0.039 0.000 0.713 391 K HN 0.223 nan 8.250 nan 0.000 0.439 392 A N 0.287 123.100 122.820 -0.010 0.000 1.972 392 A HA -0.118 4.204 4.320 0.003 0.000 0.219 392 A C 2.210 179.808 177.584 0.024 0.000 1.169 392 A CA 1.439 53.478 52.037 0.003 0.000 0.635 392 A CB -0.568 18.438 19.000 0.010 0.000 0.810 392 A HN 0.290 nan 8.150 nan 0.000 0.446 393 L N -1.892 119.366 121.223 0.058 0.000 2.044 393 L HA -0.092 4.250 4.340 0.003 0.000 0.205 393 L C 2.670 179.547 176.870 0.011 0.000 1.075 393 L CA 1.531 56.424 54.840 0.088 0.000 0.747 393 L CB -0.270 41.931 42.059 0.237 0.000 0.903 393 L HN 0.408 nan 8.230 nan 0.000 0.435 394 M N -1.724 117.880 119.600 0.006 0.000 2.567 394 M HA 0.072 4.554 4.480 0.003 0.000 0.261 394 M C -0.138 176.060 176.300 -0.171 0.000 1.180 394 M CA 0.708 55.966 55.300 -0.069 0.000 1.143 394 M CB 0.682 33.268 32.600 -0.024 0.000 1.319 394 M HN -0.002 nan 8.290 nan 0.000 0.490 395 E N 1.798 121.904 120.200 -0.157 0.000 2.914 395 E HA 0.281 4.633 4.350 0.003 0.000 0.246 395 E C -2.605 173.956 176.600 -0.065 0.000 1.146 395 E CA -1.628 54.686 56.400 -0.144 0.000 0.803 395 E CB 1.114 30.693 29.700 -0.202 0.000 1.409 395 E HN 0.040 nan 8.360 nan 0.000 0.392 396 P HA 0.226 nan 4.420 nan 0.000 0.292 396 P C -0.371 176.923 177.300 -0.009 0.000 1.287 396 P CA -0.544 62.545 63.100 -0.017 0.000 0.800 396 P CB 0.999 32.695 31.700 -0.008 0.000 0.945 397 R N 2.649 123.145 120.500 -0.007 0.000 2.543 397 R HA 0.512 4.854 4.340 0.003 0.000 0.277 397 R C 0.051 176.353 176.300 0.004 0.000 1.074 397 R CA -0.100 55.999 56.100 -0.001 0.000 1.076 397 R CB 0.098 30.397 30.300 -0.001 0.000 0.993 397 R HN 0.463 nan 8.270 nan 0.000 0.459 398 I N 2.170 122.744 120.570 0.007 0.000 2.722 398 I HA 0.161 4.333 4.170 0.003 0.000 0.295 398 I C -1.066 175.058 176.117 0.011 0.000 1.161 398 I CA -0.919 60.387 61.300 0.010 0.000 1.032 398 I CB 2.000 40.006 38.000 0.010 0.000 1.244 398 I HN 0.322 nan 8.210 nan 0.000 0.421 399 L N 5.004 126.234 121.223 0.012 0.000 2.397 399 L HA 0.609 4.951 4.340 0.003 0.000 0.271 399 L C 0.545 177.424 176.870 0.014 0.000 1.148 399 L CA 0.525 55.373 54.840 0.013 0.000 0.825 399 L CB 1.318 43.385 42.059 0.014 0.000 1.117 399 L HN 0.763 nan 8.230 nan 0.000 0.456 400 A N 2.952 125.781 122.820 0.014 0.000 2.705 400 A HA 0.576 4.898 4.320 0.003 0.000 0.294 400 A C 1.063 178.656 177.584 0.015 0.000 1.039 400 A CA 0.315 52.362 52.037 0.015 0.000 1.005 400 A CB -0.465 18.544 19.000 0.015 0.000 1.192 400 A HN 1.244 nan 8.150 nan 0.000 0.513 401 G N -0.389 108.419 108.800 0.015 0.000 3.548 401 G HA2 -0.348 3.613 3.960 0.003 0.000 0.224 401 G HA3 -0.348 3.613 3.960 0.003 0.000 0.224 401 G C 1.459 176.367 174.900 0.013 0.000 1.351 401 G CA 1.662 46.770 45.100 0.014 0.000 0.905 401 G HN 1.446 nan 8.290 nan 0.000 0.561 402 R N 0.453 120.961 120.500 0.013 0.000 2.064 402 R HA 0.360 4.701 4.340 0.003 0.000 0.221 402 R C 1.228 177.535 176.300 0.011 0.000 1.136 402 R CA 1.774 57.881 56.100 0.011 0.000 0.980 402 R CB -1.095 29.212 30.300 0.011 0.000 0.876 402 R HN 0.518 nan 8.270 nan 0.000 0.437 403 D N 0.875 121.282 120.400 0.011 0.000 2.342 403 D HA 0.267 4.909 4.640 0.003 0.000 0.260 403 D C -0.802 175.504 176.300 0.011 0.000 1.278 403 D CA -0.055 53.952 54.000 0.011 0.000 0.910 403 D CB 1.052 41.859 40.800 0.012 0.000 1.079 403 D HN 0.242 nan 8.370 nan 0.000 0.496 404 L N 4.966 126.195 121.223 0.010 0.000 2.288 404 L HA 0.396 4.738 4.340 0.003 0.000 0.283 404 L C -0.899 175.975 176.870 0.008 0.000 1.072 404 L CA -0.551 54.294 54.840 0.009 0.000 0.862 404 L CB 0.809 42.873 42.059 0.009 0.000 1.245 404 L HN 0.183 nan 8.230 nan 0.000 0.432 405 V N 4.361 124.280 119.914 0.009 0.000 2.823 405 V HA 0.920 5.042 4.120 0.003 0.000 0.312 405 V C -0.025 176.074 176.094 0.008 0.000 1.072 405 V CA -0.234 62.071 62.300 0.009 0.000 0.937 405 V CB 1.891 33.721 31.823 0.012 0.000 1.013 405 V HN 0.924 nan 8.190 nan 0.000 0.430 406 A N 5.535 128.358 122.820 0.005 0.000 2.409 406 A HA 0.639 4.961 4.320 0.003 0.000 0.262 406 A C 0.012 177.604 177.584 0.013 0.000 1.113 406 A CA -0.400 51.637 52.037 0.000 0.000 0.790 406 A CB 0.223 19.215 19.000 -0.012 0.000 1.046 406 A HN 0.893 nan 8.150 nan 0.000 0.496 407 Q N 1.266 121.074 119.800 0.014 0.000 2.266 407 Q HA 0.283 4.625 4.340 0.003 0.000 0.261 407 Q C -0.981 175.061 176.000 0.070 0.000 0.985 407 Q CA -0.355 55.473 55.803 0.042 0.000 0.873 407 Q CB 1.978 30.736 28.738 0.033 0.000 1.306 407 Q HN 0.880 nan 8.270 nan 0.000 0.447 408 H N 1.897 120.964 119.070 -0.004 0.000 2.581 408 H HA 0.401 4.959 4.556 0.003 0.000 0.308 408 H C -0.637 174.681 175.328 -0.017 0.000 1.040 408 H CA -0.476 55.569 56.048 -0.005 0.000 1.231 408 H CB 0.543 30.307 29.762 0.004 0.000 1.396 408 H HN 0.410 nan 8.280 nan 0.000 0.467 409 L N 4.780 126.226 121.223 0.372 0.000 2.349 409 L HA 0.098 4.440 4.340 0.003 0.000 0.275 409 L C 0.588 177.537 176.870 0.132 0.000 1.115 409 L CA -0.787 54.147 54.840 0.157 0.000 0.820 409 L CB 0.554 42.620 42.059 0.013 0.000 1.135 409 L HN 0.788 nan 8.230 nan 0.000 0.445 410 N N 2.203 120.900 118.700 -0.005 0.000 2.294 410 N HA 0.022 4.764 4.740 0.003 0.000 0.248 410 N C 0.893 176.368 175.510 -0.059 0.000 1.300 410 N CA -0.274 52.747 53.050 -0.047 0.000 0.925 410 N CB 0.195 38.657 38.487 -0.042 0.000 1.188 410 N HN 0.381 nan 8.380 nan 0.000 0.512 411 V N -2.695 117.201 119.914 -0.030 0.000 2.358 411 V HA -0.193 3.928 4.120 0.003 0.000 0.246 411 V C 2.114 178.161 176.094 -0.078 0.000 1.047 411 V CA 2.040 64.327 62.300 -0.021 0.000 1.035 411 V CB -1.463 30.415 31.823 0.092 0.000 0.658 411 V HN 0.838 nan 8.190 nan 0.000 0.452 412 E N 1.274 121.450 120.200 -0.039 0.000 2.028 412 E HA -0.226 4.126 4.350 0.003 0.000 0.191 412 E C 2.224 178.778 176.600 -0.076 0.000 0.988 412 E CA 1.359 57.740 56.400 -0.032 0.000 0.799 412 E CB -0.568 29.130 29.700 -0.003 0.000 0.755 412 E HN 0.528 nan 8.360 nan 0.000 0.447 413 K N 0.565 120.917 120.400 -0.079 0.000 2.113 413 K HA -0.103 4.219 4.320 0.003 0.000 0.208 413 K C 2.414 178.918 176.600 -0.159 0.000 1.047 413 K CA 1.532 57.770 56.287 -0.082 0.000 0.928 413 K CB -0.143 32.325 32.500 -0.054 0.000 0.716 413 K HN 0.061 nan 8.250 nan 0.000 0.446 414 S N 0.092 115.611 115.700 -0.302 0.000 2.383 414 S HA -0.118 4.354 4.470 0.003 0.000 0.227 414 S C 1.998 176.180 174.600 -0.696 0.000 1.026 414 S CA 1.141 58.971 58.200 -0.617 0.000 0.981 414 S CB -0.112 62.429 63.200 -1.098 0.000 0.818 414 S HN 0.278 nan 8.310 nan 0.000 0.472 415 S N 1.059 116.484 115.700 -0.458 0.000 2.355 415 S HA -0.064 4.408 4.470 0.003 0.000 0.222 415 S C 2.102 176.732 174.600 0.050 0.000 1.031 415 S CA 1.421 59.587 58.200 -0.056 0.000 0.993 415 S CB -0.385 62.884 63.200 0.115 0.000 0.859 415 S HN 0.511 nan 8.310 nan 0.000 0.453 416 S N 0.645 116.345 115.700 0.000 0.000 2.383 416 S HA -0.087 4.385 4.470 0.003 0.000 0.229 416 S C 2.096 176.716 174.600 0.034 0.000 1.030 416 S CA 1.289 59.505 58.200 0.027 0.000 1.002 416 S CB -0.529 62.674 63.200 0.004 0.000 0.829 416 S HN 0.548 nan 8.310 nan 0.000 0.467 417 S N 0.934 116.635 115.700 0.002 0.000 2.368 417 S HA -0.039 4.433 4.470 0.003 0.000 0.224 417 S C 2.094 176.738 174.600 0.073 0.000 1.029 417 S CA 0.677 58.888 58.200 0.018 0.000 0.988 417 S CB -0.230 62.957 63.200 -0.022 0.000 0.838 417 S HN 0.400 nan 8.310 nan 0.000 0.462 418 R N 0.923 121.495 120.500 0.119 0.000 2.081 418 R HA -0.100 4.242 4.340 0.003 0.000 0.235 418 R C 1.243 177.665 176.300 0.204 0.000 1.131 418 R CA 1.946 58.175 56.100 0.216 0.000 0.960 418 R CB -0.827 29.696 30.300 0.371 0.000 0.856 418 R HN 0.334 nan 8.270 nan 0.000 0.436 419 D N 0.440 120.952 120.400 0.187 0.000 2.117 419 D HA -0.067 4.575 4.640 0.003 0.000 0.198 419 D C 1.770 178.134 176.300 0.106 0.000 0.982 419 D CA 1.597 55.700 54.000 0.173 0.000 0.828 419 D CB -0.280 40.604 40.800 0.140 0.000 0.967 419 D HN 0.339 nan 8.370 nan 0.000 0.464 420 A N 0.549 123.415 122.820 0.077 0.000 1.933 420 A HA -0.144 4.178 4.320 0.003 0.000 0.218 420 A C 2.119 179.729 177.584 0.044 0.000 1.175 420 A CA 1.065 53.132 52.037 0.050 0.000 0.628 420 A CB -0.663 18.359 19.000 0.036 0.000 0.814 420 A HN 0.267 nan 8.150 nan 0.000 0.444 421 L N -0.303 120.951 121.223 0.051 0.000 2.027 421 L HA -0.070 4.271 4.340 0.003 0.000 0.206 421 L C 2.346 179.216 176.870 -0.001 0.000 1.074 421 L CA 1.868 56.710 54.840 0.005 0.000 0.745 421 L CB -0.546 41.511 42.059 -0.003 0.000 0.898 421 L HN 0.121 nan 8.230 nan 0.000 0.433 422 V N -0.027 119.942 119.914 0.091 0.000 2.407 422 V HA -0.287 3.835 4.120 0.003 0.000 0.248 422 V C 2.563 178.736 176.094 0.132 0.000 1.055 422 V CA 2.084 64.478 62.300 0.158 0.000 1.049 422 V CB -0.662 31.323 31.823 0.270 0.000 0.662 422 V HN 0.490 nan 8.190 nan 0.000 0.455 423 K N 0.205 120.656 120.400 0.086 0.000 2.097 423 K HA -0.039 4.282 4.320 0.003 0.000 0.205 423 K C 2.290 178.936 176.600 0.075 0.000 1.050 423 K CA 1.307 57.643 56.287 0.082 0.000 0.938 423 K CB -0.346 32.187 32.500 0.054 0.000 0.718 423 K HN 0.466 nan 8.250 nan 0.000 0.442 424 A N 1.812 124.646 122.820 0.023 0.000 1.873 424 A HA -0.114 4.208 4.320 0.003 0.000 0.215 424 A C 2.163 179.695 177.584 -0.088 0.000 1.186 424 A CA 1.093 53.103 52.037 -0.044 0.000 0.616 424 A CB -0.682 18.278 19.000 -0.068 0.000 0.823 424 A HN 0.124 nan 8.150 nan 0.000 0.442 425 L N -2.233 118.957 121.223 -0.055 0.000 1.971 425 L HA -0.267 4.075 4.340 0.003 0.000 0.215 425 L C 2.621 179.507 176.870 0.027 0.000 1.072 425 L CA 2.284 57.094 54.840 -0.049 0.000 0.758 425 L CB -0.735 41.335 42.059 0.019 0.000 0.889 425 L HN 0.568 nan 8.230 nan 0.000 0.433 426 Y N 0.418 120.727 120.300 0.015 0.000 2.181 426 Y HA -0.207 4.345 4.550 0.003 0.000 0.288 426 Y C 2.349 178.247 175.900 -0.005 0.000 1.146 426 Y CA 1.733 59.855 58.100 0.036 0.000 1.164 426 Y CB -0.441 38.073 38.460 0.091 0.000 0.982 426 Y HN 0.121 nan 8.280 nan 0.000 0.515 427 G N -0.633 108.230 108.800 0.106 0.000 2.403 427 G HA2 -0.178 3.784 3.960 0.003 0.000 0.216 427 G HA3 -0.178 3.784 3.960 0.003 0.000 0.216 427 G C 1.695 176.588 174.900 -0.012 0.000 1.154 427 G CA 0.509 45.633 45.100 0.039 0.000 0.784 427 G HN 0.306 nan 8.290 nan 0.000 0.538 428 R N -0.624 119.828 120.500 -0.080 0.000 2.092 428 R HA 0.050 4.392 4.340 0.003 0.000 0.231 428 R C 2.412 178.652 176.300 -0.101 0.000 1.119 428 R CA 0.922 56.946 56.100 -0.126 0.000 0.970 428 R CB -0.490 29.646 30.300 -0.274 0.000 0.864 428 R HN 0.359 nan 8.270 nan 0.000 0.440 429 L N 0.429 121.560 121.223 -0.152 0.000 1.989 429 L HA -0.161 4.181 4.340 0.003 0.000 0.211 429 L C 1.978 178.742 176.870 -0.176 0.000 1.071 429 L CA 1.685 56.406 54.840 -0.198 0.000 0.749 429 L CB -0.718 41.160 42.059 -0.302 0.000 0.890 429 L HN 0.041 nan 8.230 nan 0.000 0.431 430 F N -0.641 119.070 119.950 -0.399 0.000 2.161 430 F HA -0.247 4.281 4.527 0.003 0.000 0.300 430 F C 2.153 177.785 175.800 -0.279 0.000 1.089 430 F CA 1.611 59.355 58.000 -0.425 0.000 1.282 430 F CB -0.129 38.609 39.000 -0.437 0.000 1.010 430 F HN 0.079 nan 8.300 nan 0.000 0.485 431 L N -1.340 119.863 121.223 -0.034 0.000 1.994 431 L HA -0.263 4.079 4.340 0.003 0.000 0.208 431 L C 2.359 179.169 176.870 -0.101 0.000 1.071 431 L CA 2.050 56.857 54.840 -0.055 0.000 0.745 431 L CB -1.051 41.007 42.059 -0.002 0.000 0.892 431 L HN 0.438 nan 8.230 nan 0.000 0.431 432 W N 0.831 121.993 121.300 -0.231 0.000 2.335 432 W HA -0.246 4.416 4.660 0.003 0.000 0.311 432 W C 2.336 178.719 176.519 -0.227 0.000 1.213 432 W CA 1.616 58.840 57.345 -0.201 0.000 1.274 432 W CB -0.286 29.064 29.460 -0.184 0.000 1.148 432 W HN -0.018 nan 8.180 nan 0.000 0.498 433 L N -0.286 120.821 121.223 -0.193 0.000 1.989 433 L HA -0.305 4.037 4.340 0.003 0.000 0.211 433 L C 2.356 178.951 176.870 -0.459 0.000 1.071 433 L CA 1.713 56.288 54.840 -0.442 0.000 0.749 433 L CB -1.532 40.105 42.059 -0.702 0.000 0.890 433 L HN -0.117 nan 8.230 nan 0.000 0.431 434 V N -0.146 119.458 119.914 -0.516 0.000 2.287 434 V HA -0.326 3.795 4.120 0.003 0.000 0.248 434 V C 2.516 178.413 176.094 -0.327 0.000 1.053 434 V CA 1.904 63.950 62.300 -0.422 0.000 1.027 434 V CB -0.671 30.906 31.823 -0.410 0.000 0.646 434 V HN 0.432 nan 8.190 nan 0.000 0.447 435 K N -0.128 120.078 120.400 -0.323 0.000 2.009 435 K HA -0.186 4.135 4.320 0.003 0.000 0.210 435 K C 2.334 178.712 176.600 -0.370 0.000 1.049 435 K CA 1.311 57.420 56.287 -0.298 0.000 0.929 435 K CB -0.326 32.016 32.500 -0.263 0.000 0.714 435 K HN 0.272 nan 8.250 nan 0.000 0.440 436 K N 0.948 121.023 120.400 -0.542 0.000 2.127 436 K HA -0.153 4.169 4.320 0.003 0.000 0.208 436 K C 2.093 178.393 176.600 -0.500 0.000 1.047 436 K CA 1.324 57.230 56.287 -0.636 0.000 0.927 436 K CB -0.261 31.680 32.500 -0.933 0.000 0.716 436 K HN 0.230 nan 8.250 nan 0.000 0.450 437 I N 1.132 121.488 120.570 -0.357 0.000 2.353 437 I HA -0.241 3.930 4.170 0.003 0.000 0.248 437 I C 1.860 177.831 176.117 -0.243 0.000 1.119 437 I CA 0.711 61.847 61.300 -0.272 0.000 1.417 437 I CB -0.232 37.657 38.000 -0.186 0.000 1.078 437 I HN 0.126 nan 8.210 nan 0.000 0.421 438 N N 1.164 119.723 118.700 -0.234 0.000 2.120 438 N HA -0.161 4.580 4.740 0.003 0.000 0.188 438 N C 1.465 176.860 175.510 -0.191 0.000 1.024 438 N CA 1.275 54.210 53.050 -0.192 0.000 0.852 438 N CB -0.651 37.729 38.487 -0.178 0.000 1.003 438 N HN 0.431 nan 8.380 nan 0.000 0.424 439 N N 0.118 118.681 118.700 -0.227 0.000 2.091 439 N HA -0.151 4.591 4.740 0.003 0.000 0.193 439 N C 1.605 176.993 175.510 -0.204 0.000 1.021 439 N CA 1.137 54.057 53.050 -0.217 0.000 0.862 439 N CB 0.075 38.403 38.487 -0.264 0.000 1.018 439 N HN 0.006 nan 8.380 nan 0.000 0.429 440 V N 1.259 121.031 119.914 -0.237 0.000 2.302 440 V HA -0.123 3.998 4.120 0.003 0.000 0.243 440 V C 2.020 178.018 176.094 -0.161 0.000 1.036 440 V CA 1.322 63.497 62.300 -0.209 0.000 1.020 440 V CB -0.332 31.340 31.823 -0.252 0.000 0.657 440 V HN 0.261 nan 8.190 nan 0.000 0.453 441 L N -1.001 120.127 121.223 -0.158 0.000 2.270 441 L HA 0.070 4.411 4.340 0.003 0.000 0.210 441 L C 1.584 178.382 176.870 -0.119 0.000 1.104 441 L CA 0.041 54.803 54.840 -0.131 0.000 0.804 441 L CB -0.527 41.456 42.059 -0.127 0.000 0.937 441 L HN 0.293 nan 8.230 nan 0.000 0.450 442 C N 1.330 120.555 119.300 -0.124 0.000 2.679 442 C HA 0.125 4.587 4.460 0.003 0.000 0.417 442 C C 0.709 175.646 174.990 -0.088 0.000 1.302 442 C CA -0.098 58.855 59.018 -0.108 0.000 1.973 442 C CB 0.121 27.794 27.740 -0.111 0.000 2.715 442 C HN 0.367 nan 8.230 nan 0.000 0.628 443 Q N 2.654 122.409 119.800 -0.074 0.000 2.333 443 Q HA 0.321 4.662 4.340 0.003 0.000 0.265 443 Q C 0.576 176.549 176.000 -0.045 0.000 0.989 443 Q CA 0.073 55.844 55.803 -0.053 0.000 0.842 443 Q CB 1.100 29.815 28.738 -0.039 0.000 1.262 443 Q HN 0.788 nan 8.270 nan 0.000 0.451 444 E N 2.438 122.614 120.200 -0.041 0.000 2.076 444 E HA -0.003 4.348 4.350 0.003 0.000 0.190 444 E C 0.329 176.915 176.600 -0.024 0.000 0.979 444 E CA 1.056 57.436 56.400 -0.034 0.000 0.807 444 E CB -0.064 29.616 29.700 -0.034 0.000 0.761 444 E HN 0.502 nan 8.360 nan 0.000 0.454 445 R N 2.163 122.651 120.500 -0.020 0.000 2.287 445 R HA 0.367 4.708 4.340 0.003 0.000 0.327 445 R C -0.595 175.702 176.300 -0.004 0.000 1.109 445 R CA -0.654 55.438 56.100 -0.013 0.000 1.013 445 R CB -0.616 29.677 30.300 -0.010 0.000 1.126 445 R HN 0.229 nan 8.270 nan 0.000 0.503 446 K N 0.100 120.498 120.400 -0.003 0.000 2.523 446 K HA 0.734 5.055 4.320 0.003 0.000 0.257 446 K C 0.413 176.996 176.600 -0.028 0.000 0.932 446 K CA -0.092 56.206 56.287 0.018 0.000 0.812 446 K CB 1.919 34.449 32.500 0.049 0.000 1.326 446 K HN 0.155 nan 8.250 nan 0.000 0.433 447 A N 1.492 124.283 122.820 -0.049 0.000 1.887 447 A HA 0.290 4.612 4.320 0.003 0.000 0.212 447 A C -0.251 176.911 177.584 -0.704 0.000 1.198 447 A CA 1.013 52.846 52.037 -0.340 0.000 0.628 447 A CB -0.473 18.421 19.000 -0.178 0.000 0.847 447 A HN 0.636 nan 8.150 nan 0.000 0.449 448 Y N -2.691 117.710 120.300 0.169 0.000 2.689 448 Y HA 0.561 5.113 4.550 0.003 0.000 0.333 448 Y C -0.612 175.506 175.900 0.362 0.000 1.190 448 Y CA -1.283 56.907 58.100 0.150 0.000 1.063 448 Y CB 1.451 39.916 38.460 0.008 0.000 1.294 448 Y HN 0.369 nan 8.280 nan 0.000 0.466 449 F N -1.083 119.113 119.950 0.410 0.000 2.693 449 F HA 0.829 5.358 4.527 0.003 0.000 0.309 449 F C -2.261 173.748 175.800 0.348 0.000 1.129 449 F CA -1.414 56.824 58.000 0.397 0.000 0.948 449 F CB 1.266 40.387 39.000 0.202 0.000 1.315 449 F HN 0.252 nan 8.300 nan 0.000 0.447 450 I N 2.086 123.040 120.570 0.640 0.000 2.410 450 I HA 0.602 4.774 4.170 0.003 0.000 0.286 450 I C -0.006 176.384 176.117 0.455 0.000 1.009 450 I CA -0.851 60.694 61.300 0.408 0.000 1.111 450 I CB 1.751 39.968 38.000 0.363 0.000 1.262 450 I HN 0.965 nan 8.210 nan 0.000 0.443 451 G N 5.395 114.467 108.800 0.452 0.000 2.388 451 G HA2 0.642 4.603 3.960 0.003 0.000 0.330 451 G HA3 0.642 4.603 3.960 0.003 0.000 0.330 451 G C -0.977 173.953 174.900 0.049 0.000 1.142 451 G CA -0.390 44.760 45.100 0.083 0.000 0.908 451 G HN 0.313 nan 8.290 nan 0.000 0.473 452 V N 2.622 122.417 119.914 -0.198 0.000 2.407 452 V HA 0.350 4.472 4.120 0.003 0.000 0.291 452 V C -0.548 175.605 176.094 0.099 0.000 1.018 452 V CA -0.812 61.493 62.300 0.008 0.000 0.842 452 V CB 1.323 33.155 31.823 0.015 0.000 0.996 452 V HN 0.620 nan 8.190 nan 0.000 0.426 453 L N 4.425 125.826 121.223 0.298 0.000 2.255 453 L HA 0.627 4.969 4.340 0.003 0.000 0.289 453 L C -0.411 176.565 176.870 0.176 0.000 1.046 453 L CA 0.220 55.273 54.840 0.354 0.000 0.816 453 L CB 1.054 43.278 42.059 0.276 0.000 1.197 453 L HN 0.727 nan 8.230 nan 0.000 0.427 454 D N 6.501 126.991 120.400 0.150 0.000 2.464 454 D HA 0.446 5.088 4.640 0.003 0.000 0.243 454 D C -0.819 175.512 176.300 0.051 0.000 1.104 454 D CA -0.215 53.830 54.000 0.075 0.000 0.883 454 D CB 0.268 41.093 40.800 0.042 0.000 1.050 454 D HN 0.500 nan 8.370 nan 0.000 0.524 455 I N -0.708 119.883 120.570 0.034 0.000 3.006 455 I HA 0.546 4.718 4.170 0.003 0.000 0.306 455 I C -0.161 175.951 176.117 -0.009 0.000 1.250 455 I CA -1.083 60.224 61.300 0.012 0.000 0.996 455 I CB 1.842 39.842 38.000 0.000 0.000 1.261 455 I HN 0.123 nan 8.210 nan 0.000 0.442 456 S N 1.780 117.475 115.700 -0.009 0.000 2.580 456 S HA 0.531 5.002 4.470 0.003 0.000 0.266 456 S C 0.481 175.045 174.600 -0.059 0.000 1.354 456 S CA 0.448 58.642 58.200 -0.010 0.000 1.008 456 S CB 0.550 63.763 63.200 0.020 0.000 0.898 456 S HN 1.022 nan 8.310 nan 0.000 0.555 457 G N 1.122 109.891 108.800 -0.052 0.000 2.509 457 G HA2 0.480 4.442 3.960 0.003 0.000 0.269 457 G HA3 0.480 4.442 3.960 0.003 0.000 0.269 457 G C -0.700 174.120 174.900 -0.132 0.000 1.416 457 G CA -0.889 44.142 45.100 -0.115 0.000 1.052 457 G HN 0.617 nan 8.290 nan 0.000 0.542 458 F N 0.422 120.348 119.950 -0.040 0.000 2.607 458 F HA 0.144 4.672 4.527 0.003 0.000 0.374 458 F C 1.193 176.903 175.800 -0.149 0.000 1.104 458 F CA 0.738 58.681 58.000 -0.096 0.000 1.296 458 F CB 0.528 39.486 39.000 -0.070 0.000 1.085 458 F HN 0.222 nan 8.300 nan 0.000 0.584 459 E N 4.640 124.799 120.200 -0.070 0.000 2.102 459 E HA 0.379 4.730 4.350 0.003 0.000 0.263 459 E C -0.730 175.516 176.600 -0.590 0.000 0.894 459 E CA -0.240 55.904 56.400 -0.427 0.000 0.746 459 E CB 0.978 30.316 29.700 -0.603 0.000 1.129 459 E HN 0.418 nan 8.360 nan 0.000 0.416 460 I N 4.766 125.049 120.570 -0.478 0.000 2.595 460 I HA 0.266 4.438 4.170 0.003 0.000 0.275 460 I C -0.576 175.475 176.117 -0.110 0.000 1.092 460 I CA -0.473 60.629 61.300 -0.329 0.000 1.145 460 I CB -0.120 37.773 38.000 -0.178 0.000 1.276 460 I HN 0.291 nan 8.210 nan 0.000 0.497 461 F N 3.136 123.052 119.950 -0.057 0.000 2.272 461 F HA 0.443 4.972 4.527 0.003 0.000 0.316 461 F C 1.761 177.530 175.800 -0.052 0.000 1.068 461 F CA -1.251 56.726 58.000 -0.039 0.000 1.114 461 F CB 0.234 39.224 39.000 -0.016 0.000 1.611 461 F HN 0.152 nan 8.300 nan 0.000 0.519 462 K N -0.366 120.166 120.400 0.220 0.000 2.044 462 K HA 0.117 4.438 4.320 0.003 0.000 0.204 462 K C -0.324 176.324 176.600 0.080 0.000 1.049 462 K CA 1.060 57.403 56.287 0.093 0.000 0.945 462 K CB -0.156 32.379 32.500 0.058 0.000 0.724 462 K HN 0.143 nan 8.250 nan 0.000 0.440 463 V N 2.982 122.979 119.914 0.137 0.000 2.378 463 V HA 0.199 4.321 4.120 0.003 0.000 0.288 463 V C -1.004 175.196 176.094 0.177 0.000 1.016 463 V CA -1.039 61.335 62.300 0.124 0.000 0.840 463 V CB 1.312 33.205 31.823 0.116 0.000 0.994 463 V HN 0.225 nan 8.190 nan 0.000 0.431 464 N N 2.890 121.642 118.700 0.086 0.000 2.417 464 N HA 0.516 5.258 4.740 0.003 0.000 0.274 464 N C -0.358 175.343 175.510 0.318 0.000 0.987 464 N CA -0.147 52.955 53.050 0.087 0.000 0.912 464 N CB 2.299 40.633 38.487 -0.254 0.000 1.177 464 N HN 0.607 nan 8.380 nan 0.000 0.490 465 S N 0.639 116.588 115.700 0.414 0.000 2.795 465 S HA 0.375 4.846 4.470 0.003 0.000 0.308 465 S C 0.970 175.823 174.600 0.420 0.000 1.098 465 S CA -0.540 58.023 58.200 0.604 0.000 0.934 465 S CB 0.448 63.920 63.200 0.453 0.000 1.300 465 S HN 0.409 nan 8.310 nan 0.000 0.566 466 F N 2.178 121.946 119.950 -0.303 0.000 2.087 466 F HA -0.124 4.404 4.527 0.003 0.000 0.299 466 F C 1.944 177.441 175.800 -0.504 0.000 1.100 466 F CA 2.593 59.921 58.000 -1.121 0.000 1.226 466 F CB -0.826 37.314 39.000 -1.433 0.000 0.983 466 F HN 0.658 nan 8.300 nan 0.000 0.479 467 E N -0.080 119.851 120.200 -0.448 0.000 2.118 467 E HA -0.248 4.104 4.350 0.003 0.000 0.195 467 E C 2.044 178.475 176.600 -0.282 0.000 0.992 467 E CA 1.584 57.739 56.400 -0.410 0.000 0.804 467 E CB -0.369 29.250 29.700 -0.134 0.000 0.741 467 E HN 0.438 nan 8.360 nan 0.000 0.458 468 Q N -0.122 119.627 119.800 -0.086 0.000 2.119 468 Q HA -0.063 4.279 4.340 0.003 0.000 0.201 468 Q C 2.033 178.060 176.000 0.045 0.000 0.972 468 Q CA 0.632 56.425 55.803 -0.017 0.000 0.847 468 Q CB -0.319 28.431 28.738 0.020 0.000 0.903 468 Q HN 0.245 nan 8.270 nan 0.000 0.433 469 L N -0.291 120.930 121.223 -0.003 0.000 2.017 469 L HA -0.189 4.152 4.340 0.003 0.000 0.208 469 L C 1.869 178.632 176.870 -0.179 0.000 1.073 469 L CA 1.717 56.479 54.840 -0.130 0.000 0.745 469 L CB -0.818 41.005 42.059 -0.393 0.000 0.894 469 L HN 0.275 nan 8.230 nan 0.000 0.432 470 C N -0.625 118.357 119.300 -0.531 0.000 2.418 470 C HA -0.189 4.272 4.460 0.003 0.000 0.280 470 C C 2.645 177.501 174.990 -0.224 0.000 1.223 470 C CA 0.975 59.578 59.018 -0.692 0.000 1.736 470 C CB -1.120 25.711 27.740 -1.515 0.000 2.056 470 C HN 0.677 nan 8.230 nan 0.000 0.459 471 I N 2.077 122.536 120.570 -0.186 0.000 2.315 471 I HA -0.191 3.981 4.170 0.003 0.000 0.251 471 I C 1.911 177.998 176.117 -0.049 0.000 1.125 471 I CA 1.700 62.969 61.300 -0.053 0.000 1.392 471 I CB -0.616 37.346 38.000 -0.063 0.000 1.065 471 I HN 0.331 nan 8.210 nan 0.000 0.424 472 N N -0.831 117.876 118.700 0.012 0.000 2.270 472 N HA -0.202 4.540 4.740 0.003 0.000 0.181 472 N C 1.801 177.473 175.510 0.268 0.000 1.016 472 N CA 1.173 54.279 53.050 0.093 0.000 0.870 472 N CB -0.579 37.910 38.487 0.003 0.000 0.979 472 N HN 0.484 nan 8.380 nan 0.000 0.431 473 Y N 2.285 122.665 120.300 0.134 0.000 2.114 473 Y HA -0.147 4.404 4.550 0.003 0.000 0.284 473 Y C 2.170 178.133 175.900 0.105 0.000 1.143 473 Y CA 1.489 59.690 58.100 0.169 0.000 1.135 473 Y CB -0.934 37.593 38.460 0.111 0.000 0.980 473 Y HN -0.038 nan 8.280 nan 0.000 0.499 474 T N 1.552 116.043 114.554 -0.104 0.000 2.665 474 T HA -0.238 4.114 4.350 0.003 0.000 0.268 474 T C 1.764 176.325 174.700 -0.230 0.000 1.035 474 T CA 1.755 63.698 62.100 -0.262 0.000 1.151 474 T CB -0.404 68.353 68.868 -0.185 0.000 0.862 474 T HN 0.457 nan 8.240 nan 0.000 0.438 475 N N 0.692 119.231 118.700 -0.269 0.000 2.223 475 N HA -0.102 4.640 4.740 0.003 0.000 0.185 475 N C 1.888 177.230 175.510 -0.281 0.000 1.016 475 N CA 0.872 53.602 53.050 -0.533 0.000 0.863 475 N CB -0.121 37.594 38.487 -1.285 0.000 0.983 475 N HN 0.471 nan 8.380 nan 0.000 0.429 476 E N 1.256 121.511 120.200 0.092 0.000 2.106 476 E HA -0.081 4.271 4.350 0.003 0.000 0.192 476 E C 1.766 178.452 176.600 0.143 0.000 0.984 476 E CA 0.742 57.327 56.400 0.307 0.000 0.806 476 E CB -0.015 29.941 29.700 0.425 0.000 0.750 476 E HN 0.399 nan 8.360 nan 0.000 0.458 477 K N 0.462 120.884 120.400 0.037 0.000 2.057 477 K HA -0.015 4.306 4.320 0.003 0.000 0.206 477 K C 2.367 178.992 176.600 0.043 0.000 1.050 477 K CA 0.650 56.941 56.287 0.006 0.000 0.935 477 K CB -0.102 32.323 32.500 -0.126 0.000 0.715 477 K HN 0.081 nan 8.250 nan 0.000 0.439 478 L N 0.730 121.937 121.223 -0.027 0.000 2.093 478 L HA -0.192 4.149 4.340 0.003 0.000 0.208 478 L C 2.641 179.618 176.870 0.177 0.000 1.085 478 L CA 0.977 55.847 54.840 0.050 0.000 0.755 478 L CB -0.305 41.728 42.059 -0.042 0.000 0.904 478 L HN 0.183 nan 8.230 nan 0.000 0.435 479 Q N 0.377 120.211 119.800 0.056 0.000 2.123 479 Q HA -0.242 4.100 4.340 0.003 0.000 0.199 479 Q C 2.142 178.210 176.000 0.114 0.000 0.966 479 Q CA 1.603 57.414 55.803 0.013 0.000 0.845 479 Q CB -0.121 28.475 28.738 -0.238 0.000 0.907 479 Q HN 0.469 nan 8.270 nan 0.000 0.439 480 Q N -1.086 118.801 119.800 0.146 0.000 2.079 480 Q HA -0.175 4.167 4.340 0.003 0.000 0.200 480 Q C 1.861 178.010 176.000 0.249 0.000 0.974 480 Q CA 1.389 57.292 55.803 0.167 0.000 0.840 480 Q CB -0.344 28.478 28.738 0.140 0.000 0.898 480 Q HN 0.517 nan 8.270 nan 0.000 0.430 481 F N 0.496 120.534 119.950 0.147 0.000 2.126 481 F HA -0.251 4.278 4.527 0.003 0.000 0.299 481 F C 1.823 177.766 175.800 0.238 0.000 1.096 481 F CA 1.775 59.901 58.000 0.211 0.000 1.255 481 F CB -0.418 38.693 39.000 0.186 0.000 0.997 481 F HN 0.235 nan 8.300 nan 0.000 0.479 482 F N 1.424 121.478 119.950 0.173 0.000 2.069 482 F HA -0.280 4.249 4.527 0.003 0.000 0.298 482 F C 2.331 178.076 175.800 -0.091 0.000 1.113 482 F CA 2.188 60.096 58.000 -0.154 0.000 1.214 482 F CB -0.761 38.010 39.000 -0.382 0.000 0.978 482 F HN -0.082 nan 8.300 nan 0.000 0.474 483 N N -0.371 118.333 118.700 0.007 0.000 2.104 483 N HA -0.247 4.494 4.740 0.003 0.000 0.190 483 N C 1.819 177.310 175.510 -0.032 0.000 1.024 483 N CA 1.682 54.720 53.050 -0.021 0.000 0.853 483 N CB -0.858 37.714 38.487 0.141 0.000 1.008 483 N HN 0.456 nan 8.380 nan 0.000 0.424 484 H N 0.237 119.266 119.070 -0.068 0.000 2.270 484 H HA -0.117 4.441 4.556 0.003 0.000 0.299 484 H C 2.104 177.392 175.328 -0.066 0.000 1.077 484 H CA 2.328 58.370 56.048 -0.009 0.000 1.294 484 H CB -0.666 29.093 29.762 -0.006 0.000 1.371 484 H HN 0.339 nan 8.280 nan 0.000 0.491 485 H N -0.332 118.470 119.070 -0.447 0.000 2.321 485 H HA -0.196 4.362 4.556 0.003 0.000 0.295 485 H C 2.532 177.575 175.328 -0.474 0.000 1.102 485 H CA 2.407 58.135 56.048 -0.533 0.000 1.266 485 H CB -0.437 28.991 29.762 -0.557 0.000 1.363 485 H HN 0.455 nan 8.280 nan 0.000 0.492 486 M N -1.132 118.119 119.600 -0.583 0.000 2.229 486 M HA -0.102 4.380 4.480 0.003 0.000 0.264 486 M C 1.800 177.911 176.300 -0.316 0.000 1.063 486 M CA 1.502 56.478 55.300 -0.539 0.000 1.114 486 M CB -0.136 32.090 32.600 -0.624 0.000 1.387 486 M HN 0.395 nan 8.290 nan 0.000 0.420 487 F N 0.956 120.698 119.950 -0.346 0.000 2.146 487 F HA -0.165 4.363 4.527 0.002 0.000 0.298 487 F C 1.812 177.452 175.800 -0.265 0.000 1.096 487 F CA 1.767 59.633 58.000 -0.223 0.000 1.275 487 F CB -0.292 38.634 39.000 -0.124 0.000 1.008 487 F HN -0.011 nan 8.300 nan 0.000 0.480 488 K N 0.556 120.594 120.400 -0.604 0.000 2.057 488 K HA -0.073 4.249 4.320 0.003 0.000 0.206 488 K C 2.044 178.312 176.600 -0.553 0.000 1.050 488 K CA 1.632 57.516 56.287 -0.672 0.000 0.935 488 K CB -0.494 31.686 32.500 -0.534 0.000 0.715 488 K HN 0.308 nan 8.250 nan 0.000 0.439 489 L N 1.104 121.989 121.223 -0.564 0.000 2.450 489 L HA -0.220 4.122 4.340 0.003 0.000 0.225 489 L C 2.071 178.747 176.870 -0.323 0.000 1.145 489 L CA 0.887 55.460 54.840 -0.444 0.000 0.801 489 L CB -0.272 41.498 42.059 -0.482 0.000 0.924 489 L HN 0.285 nan 8.230 nan 0.000 0.447 490 E N -0.796 119.188 120.200 -0.360 0.000 2.121 490 E HA -0.078 4.274 4.350 0.003 0.000 0.194 490 E C 1.884 178.289 176.600 -0.325 0.000 0.940 490 E CA 0.168 56.394 56.400 -0.290 0.000 0.884 490 E CB -0.138 29.419 29.700 -0.238 0.000 0.874 490 E HN 0.385 nan 8.360 nan 0.000 0.471 491 Q N 0.669 120.171 119.800 -0.495 0.000 1.954 491 Q HA -0.287 4.055 4.340 0.003 0.000 0.215 491 Q C 2.206 178.047 176.000 -0.265 0.000 1.026 491 Q CA 3.144 58.690 55.803 -0.428 0.000 0.881 491 Q CB -0.212 28.126 28.738 -0.667 0.000 0.977 491 Q HN 0.383 nan 8.270 nan 0.000 0.416 492 E N -0.224 119.821 120.200 -0.259 0.000 2.274 492 E HA -0.121 4.231 4.350 0.003 0.000 0.194 492 E C 1.588 178.082 176.600 -0.178 0.000 0.996 492 E CA 1.515 57.806 56.400 -0.181 0.000 0.840 492 E CB -0.807 28.797 29.700 -0.160 0.000 0.772 492 E HN 0.699 nan 8.360 nan 0.000 0.491 493 E N -1.409 118.669 120.200 -0.204 0.000 2.276 493 E HA 0.157 4.509 4.350 0.003 0.000 0.193 493 E C 2.262 178.757 176.600 -0.176 0.000 0.983 493 E CA 0.841 57.138 56.400 -0.171 0.000 0.861 493 E CB -1.329 28.274 29.700 -0.161 0.000 0.817 493 E HN 1.129 nan 8.360 nan 0.000 0.485 494 Y N 0.215 120.382 120.300 -0.222 0.000 2.465 494 Y HA 0.289 4.840 4.550 0.003 0.000 0.289 494 Y C 2.132 177.854 175.900 -0.296 0.000 1.150 494 Y CA 1.336 59.268 58.100 -0.280 0.000 1.293 494 Y CB -0.609 37.642 38.460 -0.348 0.000 0.977 494 Y HN 0.263 nan 8.280 nan 0.000 0.556 495 L N -0.183 120.883 121.223 -0.261 0.000 2.718 495 L HA 0.155 4.496 4.340 0.003 0.000 0.242 495 L C 1.663 178.439 176.870 -0.157 0.000 1.203 495 L CA 0.780 55.480 54.840 -0.233 0.000 1.011 495 L CB -0.452 41.480 42.059 -0.212 0.000 1.250 495 L HN 0.395 nan 8.230 nan 0.000 0.437 496 K N -0.297 120.021 120.400 -0.137 0.000 2.362 496 K HA 0.179 4.501 4.320 0.003 0.000 0.203 496 K C 1.755 178.322 176.600 -0.055 0.000 1.198 496 K CA 0.810 57.047 56.287 -0.085 0.000 0.908 496 K CB 0.507 32.966 32.500 -0.069 0.000 1.236 496 K HN 0.171 nan 8.250 nan 0.000 0.487 497 E N 0.962 121.135 120.200 -0.046 0.000 2.444 497 E HA 0.160 4.512 4.350 0.003 0.000 0.191 497 E C 0.111 176.697 176.600 -0.023 0.000 1.041 497 E CA 0.732 57.139 56.400 0.013 0.000 0.883 497 E CB -0.120 29.650 29.700 0.116 0.000 1.024 497 E HN 0.315 nan 8.360 nan 0.000 0.470 498 K N -0.044 120.292 120.400 -0.107 0.000 3.239 498 K HA -0.069 4.253 4.320 0.003 0.000 0.266 498 K C 0.300 176.755 176.600 -0.240 0.000 1.217 498 K CA 0.851 57.054 56.287 -0.140 0.000 0.797 498 K CB -3.302 29.162 32.500 -0.060 0.000 1.377 498 K HN 0.898 nan 8.250 nan 0.000 0.518 499 I N -2.335 118.016 120.570 -0.364 0.000 3.204 499 I HA 0.688 4.859 4.170 0.003 0.000 0.313 499 I C 1.435 177.215 176.117 -0.561 0.000 1.082 499 I CA -0.493 60.500 61.300 -0.511 0.000 1.033 499 I CB 1.199 38.748 38.000 -0.751 0.000 1.304 499 I HN 0.538 nan 8.210 nan 0.000 0.536 500 N N 0.834 119.189 118.700 -0.574 0.000 1.888 500 N HA 0.354 5.095 4.740 0.003 0.000 0.234 500 N C -0.011 174.977 175.510 -0.869 0.000 1.126 500 N CA -0.032 52.602 53.050 -0.692 0.000 1.081 500 N CB -0.038 38.261 38.487 -0.313 0.000 1.450 500 N HN 0.723 nan 8.380 nan 0.000 0.502 507 G N 1.720 110.442 108.800 -0.130 0.000 2.390 507 G HA2 0.534 4.496 3.960 0.003 0.000 0.270 507 G HA3 0.534 4.496 3.960 0.003 0.000 0.270 507 G C -0.413 174.441 174.900 -0.076 0.000 1.211 507 G CA -0.240 44.810 45.100 -0.083 0.000 0.842 507 G HN 0.684 nan 8.290 nan 0.000 0.519 508 L N 1.982 123.176 121.223 -0.049 0.000 2.334 508 L HA 0.211 4.553 4.340 0.003 0.000 0.277 508 L C 0.659 177.545 176.870 0.027 0.000 1.075 508 L CA -0.819 54.015 54.840 -0.009 0.000 0.804 508 L CB 1.518 43.583 42.059 0.010 0.000 1.174 508 L HN 0.536 nan 8.230 nan 0.000 0.438 509 D N 0.361 120.793 120.400 0.054 0.000 2.348 509 D HA -0.081 4.561 4.640 0.003 0.000 0.216 509 D C 1.599 177.963 176.300 0.107 0.000 0.970 509 D CA 0.873 54.918 54.000 0.076 0.000 0.889 509 D CB 0.424 41.282 40.800 0.097 0.000 0.912 509 D HN 0.414 nan 8.370 nan 0.000 0.524 510 S N 0.368 116.142 115.700 0.122 0.000 2.501 510 S HA -0.075 4.397 4.470 0.003 0.000 0.220 510 S C 1.765 176.438 174.600 0.122 0.000 0.997 510 S CA 0.141 58.434 58.200 0.155 0.000 0.919 510 S CB 0.338 63.634 63.200 0.160 0.000 0.778 510 S HN 0.095 nan 8.310 nan 0.000 0.523 511 Q N 2.173 122.023 119.800 0.082 0.000 2.084 511 Q HA 0.038 4.380 4.340 0.003 0.000 0.202 511 Q C 2.050 178.089 176.000 0.064 0.000 0.978 511 Q CA 1.732 57.575 55.803 0.068 0.000 0.844 511 Q CB -0.544 28.218 28.738 0.041 0.000 0.898 511 Q HN 0.500 nan 8.270 nan 0.000 0.426 512 A N -0.916 121.937 122.820 0.055 0.000 1.902 512 A HA -0.187 4.135 4.320 0.003 0.000 0.217 512 A C 2.291 179.891 177.584 0.027 0.000 1.181 512 A CA 2.001 54.061 52.037 0.039 0.000 0.623 512 A CB -1.044 17.978 19.000 0.037 0.000 0.818 512 A HN 0.470 nan 8.150 nan 0.000 0.443 513 T N 0.275 114.855 114.554 0.044 0.000 2.708 513 T HA -0.086 4.266 4.350 0.003 0.000 0.266 513 T C 1.814 176.538 174.700 0.040 0.000 1.037 513 T CA 1.443 63.554 62.100 0.018 0.000 1.146 513 T CB -0.418 68.478 68.868 0.045 0.000 0.865 513 T HN 0.401 nan 8.240 nan 0.000 0.435 514 I N 1.408 122.045 120.570 0.111 0.000 2.151 514 I HA -0.247 3.925 4.170 0.003 0.000 0.243 514 I C 2.346 178.503 176.117 0.068 0.000 1.080 514 I CA 1.399 62.795 61.300 0.160 0.000 1.339 514 I CB -0.379 37.737 38.000 0.194 0.000 1.039 514 I HN 0.176 nan 8.210 nan 0.000 0.409 515 D N 0.527 120.951 120.400 0.040 0.000 2.117 515 D HA -0.190 4.452 4.640 0.003 0.000 0.197 515 D C 2.000 178.270 176.300 -0.050 0.000 0.987 515 D CA 1.101 55.108 54.000 0.011 0.000 0.829 515 D CB -0.459 40.356 40.800 0.024 0.000 0.961 515 D HN 0.201 nan 8.370 nan 0.000 0.460 516 L N 0.349 121.518 121.223 -0.091 0.000 2.127 516 L HA -0.139 4.203 4.340 0.003 0.000 0.211 516 L C 1.876 178.581 176.870 -0.274 0.000 1.089 516 L CA 1.421 56.120 54.840 -0.236 0.000 0.757 516 L CB -0.256 41.653 42.059 -0.251 0.000 0.899 516 L HN -0.023 nan 8.230 nan 0.000 0.434 517 I N -0.424 120.030 120.570 -0.195 0.000 2.556 517 I HA -0.077 4.095 4.170 0.003 0.000 0.251 517 I C 1.586 177.538 176.117 -0.274 0.000 1.105 517 I CA 1.162 62.313 61.300 -0.248 0.000 1.436 517 I CB -0.238 37.573 38.000 -0.316 0.000 1.139 517 I HN 0.382 nan 8.210 nan 0.000 0.438 518 D N 0.105 120.356 120.400 -0.248 0.000 2.398 518 D HA 0.095 4.737 4.640 0.003 0.000 0.210 518 D C 1.086 177.364 176.300 -0.037 0.000 1.094 518 D CA -0.060 53.838 54.000 -0.170 0.000 0.839 518 D CB -0.544 40.159 40.800 -0.161 0.000 0.963 518 D HN 0.081 nan 8.370 nan 0.000 0.506 519 G N 0.681 109.468 108.800 -0.021 0.000 2.368 519 G HA2 -0.037 3.925 3.960 0.003 0.000 0.233 519 G HA3 -0.037 3.925 3.960 0.003 0.000 0.233 519 G C 0.583 175.498 174.900 0.024 0.000 1.267 519 G CA -0.409 44.701 45.100 0.017 0.000 0.873 519 G HN 0.227 nan 8.290 nan 0.000 0.539 520 R N -0.021 120.499 120.500 0.033 0.000 2.123 520 R HA 0.114 4.456 4.340 0.003 0.000 0.209 520 R C 0.007 176.329 176.300 0.035 0.000 1.078 520 R CA 0.570 56.689 56.100 0.033 0.000 1.028 520 R CB 0.263 30.584 30.300 0.034 0.000 0.939 520 R HN 0.479 nan 8.270 nan 0.000 0.463 521 Q N 1.120 120.944 119.800 0.039 0.000 2.334 521 Q HA 0.296 4.638 4.340 0.003 0.000 0.249 521 Q C -2.489 173.538 176.000 0.046 0.000 0.909 521 Q CA -1.595 54.233 55.803 0.042 0.000 0.823 521 Q CB 2.159 30.918 28.738 0.034 0.000 1.353 521 Q HN 0.250 nan 8.270 nan 0.000 0.433 522 P HA 0.305 nan 4.420 nan 0.000 0.272 522 P C -2.631 174.716 177.300 0.078 0.000 1.223 522 P CA -1.212 61.933 63.100 0.075 0.000 0.784 522 P CB -0.306 31.455 31.700 0.102 0.000 0.923 523 P HA 0.135 nan 4.420 nan 0.000 0.268 523 P C 0.336 177.693 177.300 0.095 0.000 1.204 523 P CA 0.281 63.399 63.100 0.031 0.000 0.768 523 P CB 0.567 32.243 31.700 -0.040 0.000 0.842 524 G N 1.899 110.740 108.800 0.069 0.000 2.531 524 G HA2 0.315 4.277 3.960 0.003 0.000 0.281 524 G HA3 0.315 4.277 3.960 0.003 0.000 0.281 524 G C 1.065 175.989 174.900 0.039 0.000 1.382 524 G CA -0.904 44.225 45.100 0.050 0.000 1.045 524 G HN 0.360 nan 8.290 nan 0.000 0.533 525 I N -0.240 120.267 120.570 -0.105 0.000 2.118 525 I HA -0.235 3.936 4.170 0.003 0.000 0.241 525 I C 2.684 178.805 176.117 0.006 0.000 1.070 525 I CA 1.243 62.513 61.300 -0.050 0.000 1.327 525 I CB -0.333 37.612 38.000 -0.091 0.000 1.034 525 I HN 0.294 nan 8.210 nan 0.000 0.405 526 L N 0.322 121.537 121.223 -0.014 0.000 2.083 526 L HA -0.202 4.140 4.340 0.003 0.000 0.209 526 L C 2.820 179.701 176.870 0.018 0.000 1.083 526 L CA 1.258 56.110 54.840 0.021 0.000 0.752 526 L CB -0.903 41.158 42.059 0.005 0.000 0.899 526 L HN 0.278 nan 8.230 nan 0.000 0.433 527 A N 0.561 123.383 122.820 0.003 0.000 1.855 527 A HA -0.117 4.204 4.320 0.003 0.000 0.215 527 A C 2.256 179.833 177.584 -0.012 0.000 1.191 527 A CA 1.302 53.341 52.037 0.003 0.000 0.613 527 A CB -0.720 18.280 19.000 0.000 0.000 0.829 527 A HN 0.346 nan 8.150 nan 0.000 0.442 528 L N -0.785 120.411 121.223 -0.044 0.000 2.131 528 L HA -0.167 4.174 4.340 0.003 0.000 0.210 528 L C 2.544 179.400 176.870 -0.022 0.000 1.092 528 L CA 1.119 55.911 54.840 -0.079 0.000 0.759 528 L CB -0.617 41.326 42.059 -0.192 0.000 0.903 528 L HN 0.496 nan 8.230 nan 0.000 0.435 529 L N -0.164 121.061 121.223 0.002 0.000 2.046 529 L HA -0.198 4.144 4.340 0.003 0.000 0.208 529 L C 2.006 178.883 176.870 0.011 0.000 1.077 529 L CA 1.882 56.735 54.840 0.021 0.000 0.747 529 L CB -0.604 41.486 42.059 0.052 0.000 0.896 529 L HN 0.136 nan 8.230 nan 0.000 0.432 530 D N -0.290 120.117 120.400 0.012 0.000 2.117 530 D HA -0.226 4.416 4.640 0.003 0.000 0.197 530 D C 2.053 178.368 176.300 0.024 0.000 0.987 530 D CA 1.440 55.448 54.000 0.013 0.000 0.829 530 D CB -0.012 40.801 40.800 0.022 0.000 0.961 530 D HN 0.559 nan 8.370 nan 0.000 0.460 531 E N 0.253 120.478 120.200 0.043 0.000 2.049 531 E HA -0.213 4.138 4.350 0.003 0.000 0.198 531 E C 1.971 178.679 176.600 0.180 0.000 1.007 531 E CA 1.034 57.492 56.400 0.096 0.000 0.809 531 E CB 0.142 29.902 29.700 0.099 0.000 0.749 531 E HN 0.177 nan 8.360 nan 0.000 0.450 532 Q N -0.013 119.874 119.800 0.146 0.000 2.234 532 Q HA -0.116 4.225 4.340 0.003 0.000 0.206 532 Q C 2.269 178.371 176.000 0.170 0.000 0.980 532 Q CA 1.161 57.081 55.803 0.194 0.000 0.869 532 Q CB -0.049 28.741 28.738 0.087 0.000 0.912 532 Q HN 0.201 nan 8.270 nan 0.000 0.436 533 S N 0.644 116.382 115.700 0.064 0.000 2.447 533 S HA -0.095 4.376 4.470 0.003 0.000 0.233 533 S C 2.103 176.656 174.600 -0.078 0.000 1.006 533 S CA 1.066 59.267 58.200 0.001 0.000 0.957 533 S CB -0.217 62.971 63.200 -0.020 0.000 0.773 533 S HN 0.471 nan 8.310 nan 0.000 0.507 534 V N -1.085 118.710 119.914 -0.199 0.000 2.548 534 V HA 0.131 4.253 4.120 0.003 0.000 0.249 534 V C 0.404 176.093 176.094 -0.675 0.000 1.055 534 V CA 0.738 62.761 62.300 -0.461 0.000 1.065 534 V CB -0.943 30.520 31.823 -0.601 0.000 0.681 534 V HN 0.270 nan 8.190 nan 0.000 0.462 535 F N 2.156 122.109 119.950 0.005 0.000 2.438 535 F HA 0.442 4.970 4.527 0.003 0.000 0.360 535 F C -0.905 174.898 175.800 0.004 0.000 1.118 535 F CA -2.301 55.701 58.000 0.005 0.000 1.164 535 F CB 0.216 39.217 39.000 0.002 0.000 1.131 535 F HN 0.064 nan 8.300 nan 0.000 0.527 536 P HA -0.161 nan 4.420 nan 0.000 0.218 536 P C 0.622 177.975 177.300 0.087 0.000 1.148 536 P CA 1.369 64.507 63.100 0.063 0.000 0.822 536 P CB 0.237 31.961 31.700 0.039 0.000 0.784 537 N N -0.540 118.235 118.700 0.124 0.000 2.383 537 N HA 0.149 4.890 4.740 0.003 0.000 0.192 537 N C 0.653 176.211 175.510 0.080 0.000 1.141 537 N CA 0.000 53.104 53.050 0.088 0.000 0.851 537 N CB 0.258 38.782 38.487 0.063 0.000 0.976 537 N HN 0.118 nan 8.380 nan 0.000 0.465 538 A N 1.043 123.931 122.820 0.114 0.000 2.313 538 A HA 0.479 4.800 4.320 0.003 0.000 0.261 538 A C 0.874 178.489 177.584 0.053 0.000 1.090 538 A CA -0.059 52.028 52.037 0.083 0.000 0.807 538 A CB 0.441 19.516 19.000 0.125 0.000 1.055 538 A HN 0.250 nan 8.150 nan 0.000 0.492 539 T N -2.696 111.878 114.554 0.032 0.000 2.804 539 T HA 0.450 4.802 4.350 0.003 0.000 0.290 539 T C -0.015 174.693 174.700 0.013 0.000 1.099 539 T CA -0.220 61.895 62.100 0.024 0.000 1.011 539 T CB 0.930 69.808 68.868 0.016 0.000 1.291 539 T HN 0.382 nan 8.240 nan 0.000 0.523 540 D N 0.467 120.872 120.400 0.008 0.000 2.149 540 D HA -0.150 4.492 4.640 0.003 0.000 0.198 540 D C 1.814 178.098 176.300 -0.027 0.000 0.990 540 D CA 1.142 55.133 54.000 -0.014 0.000 0.839 540 D CB -0.326 40.466 40.800 -0.014 0.000 0.948 540 D HN 0.651 nan 8.370 nan 0.000 0.460 541 N N 0.634 119.329 118.700 -0.008 0.000 2.084 541 N HA -0.160 4.582 4.740 0.003 0.000 0.190 541 N C 1.758 177.262 175.510 -0.009 0.000 1.030 541 N CA 2.381 55.430 53.050 -0.002 0.000 0.849 541 N CB 0.074 38.567 38.487 0.009 0.000 1.012 541 N HN 0.272 nan 8.380 nan 0.000 0.423 542 T N 0.045 114.592 114.554 -0.012 0.000 2.708 542 T HA -0.159 4.193 4.350 0.003 0.000 0.266 542 T C 2.164 176.844 174.700 -0.034 0.000 1.037 542 T CA 1.040 63.127 62.100 -0.020 0.000 1.146 542 T CB -0.697 68.158 68.868 -0.021 0.000 0.865 542 T HN 0.126 nan 8.240 nan 0.000 0.435 543 L N 1.291 122.492 121.223 -0.036 0.000 1.956 543 L HA 0.059 4.401 4.340 0.003 0.000 0.216 543 L C 2.445 179.243 176.870 -0.120 0.000 1.073 543 L CA 1.782 56.584 54.840 -0.062 0.000 0.762 543 L CB -1.253 40.776 42.059 -0.050 0.000 0.889 543 L HN 0.343 nan 8.230 nan 0.000 0.433 544 I N -0.885 119.603 120.570 -0.136 0.000 2.335 544 I HA -0.298 3.874 4.170 0.003 0.000 0.251 544 I C 2.154 178.134 176.117 -0.228 0.000 1.129 544 I CA 2.051 63.213 61.300 -0.229 0.000 1.402 544 I CB -0.500 37.412 38.000 -0.147 0.000 1.069 544 I HN 0.401 nan 8.210 nan 0.000 0.424 545 T N 0.186 114.705 114.554 -0.058 0.000 2.737 545 T HA -0.225 4.126 4.350 0.003 0.000 0.265 545 T C 1.950 176.641 174.700 -0.015 0.000 1.038 545 T CA 1.717 63.831 62.100 0.024 0.000 1.144 545 T CB -0.246 68.635 68.868 0.021 0.000 0.866 545 T HN 0.337 nan 8.240 nan 0.000 0.434 546 K N 0.628 120.997 120.400 -0.053 0.000 2.063 546 K HA -0.029 4.292 4.320 0.003 0.000 0.208 546 K C 2.181 178.729 176.600 -0.087 0.000 1.048 546 K CA 1.063 57.327 56.287 -0.039 0.000 0.928 546 K CB -0.285 32.186 32.500 -0.048 0.000 0.713 546 K HN 0.281 nan 8.250 nan 0.000 0.442 547 L N -0.118 120.992 121.223 -0.189 0.000 2.046 547 L HA -0.212 4.130 4.340 0.003 0.000 0.208 547 L C 2.530 179.248 176.870 -0.253 0.000 1.077 547 L CA 1.082 55.776 54.840 -0.243 0.000 0.747 547 L CB -0.689 41.194 42.059 -0.293 0.000 0.896 547 L HN 0.307 nan 8.230 nan 0.000 0.432 548 H N -0.989 118.053 119.070 -0.047 0.000 2.353 548 H HA -0.134 4.424 4.556 0.003 0.000 0.300 548 H C 2.629 177.873 175.328 -0.140 0.000 1.090 548 H CA 1.535 57.585 56.048 0.004 0.000 1.327 548 H CB -0.344 29.478 29.762 0.099 0.000 1.383 548 H HN 0.214 nan 8.280 nan 0.000 0.508 549 S N -0.162 115.533 115.700 -0.007 0.000 2.365 549 S HA -0.210 4.261 4.470 0.003 0.000 0.225 549 S C 1.842 176.270 174.600 -0.287 0.000 1.039 549 S CA 1.586 59.713 58.200 -0.121 0.000 1.033 549 S CB -0.134 63.003 63.200 -0.106 0.000 0.887 549 S HN 0.540 nan 8.310 nan 0.000 0.447 550 H N -1.411 117.315 119.070 -0.574 0.000 2.525 550 H HA 0.265 4.822 4.556 0.003 0.000 0.275 550 H C 1.078 175.813 175.328 -0.989 0.000 0.984 550 H CA 1.277 56.814 56.048 -0.852 0.000 1.264 550 H CB 0.075 29.031 29.762 -1.344 0.000 1.432 550 H HN 0.521 nan 8.280 nan 0.000 0.549 551 F N -1.754 118.010 119.950 -0.311 0.000 2.752 551 F HA 0.220 4.748 4.527 0.003 0.000 0.310 551 F C 1.034 176.660 175.800 -0.290 0.000 1.097 551 F CA -0.318 57.401 58.000 -0.468 0.000 1.238 551 F CB 0.472 38.842 39.000 -1.050 0.000 1.061 551 F HN -0.205 nan 8.300 nan 0.000 0.591 552 S N 2.409 118.087 115.700 -0.037 0.000 2.506 552 S HA 0.086 4.558 4.470 0.003 0.000 0.291 552 S C 0.859 175.522 174.600 0.105 0.000 1.230 552 S CA 0.043 58.363 58.200 0.200 0.000 1.107 552 S CB -0.277 63.064 63.200 0.234 0.000 0.942 552 S HN 0.395 nan 8.310 nan 0.000 0.502 553 K N 2.493 122.975 120.400 0.136 0.000 3.547 553 K HA -0.183 4.139 4.320 0.003 0.000 0.309 553 K C 0.563 177.200 176.600 0.061 0.000 1.324 553 K CA 1.798 58.132 56.287 0.078 0.000 0.988 553 K CB -1.479 31.043 32.500 0.037 0.000 1.261 553 K HN 0.678 nan 8.250 nan 0.000 0.444 554 K N 0.057 120.501 120.400 0.074 0.000 2.399 554 K HA 0.092 4.414 4.320 0.003 0.000 0.196 554 K C 0.579 177.241 176.600 0.104 0.000 1.117 554 K CA -0.050 56.269 56.287 0.054 0.000 0.965 554 K CB 0.328 32.826 32.500 -0.003 0.000 0.983 554 K HN 0.067 nan 8.250 nan 0.000 0.531 555 N N 0.494 119.294 118.700 0.167 0.000 2.399 555 N HA 0.206 4.948 4.740 0.003 0.000 0.280 555 N C 0.038 175.645 175.510 0.163 0.000 1.008 555 N CA -0.043 53.112 53.050 0.175 0.000 0.894 555 N CB 1.896 40.517 38.487 0.223 0.000 1.273 555 N HN 0.043 nan 8.380 nan 0.000 0.486 556 A N 3.683 126.568 122.820 0.107 0.000 2.131 556 A HA -0.102 4.220 4.320 0.003 0.000 0.220 556 A C 1.361 178.995 177.584 0.083 0.000 1.158 556 A CA 1.274 53.363 52.037 0.087 0.000 0.665 556 A CB -0.035 18.999 19.000 0.057 0.000 0.795 556 A HN 0.588 nan 8.150 nan 0.000 0.460 557 K N -1.819 118.634 120.400 0.088 0.000 2.372 557 K HA 0.210 4.531 4.320 0.003 0.000 0.200 557 K C -0.616 176.051 176.600 0.112 0.000 1.022 557 K CA -0.087 56.235 56.287 0.058 0.000 1.125 557 K CB -0.138 32.368 32.500 0.010 0.000 0.855 557 K HN 0.600 nan 8.250 nan 0.000 0.524 558 Y N 1.011 121.334 120.300 0.039 0.000 2.509 558 Y HA 0.356 4.907 4.550 0.003 0.000 0.341 558 Y C -0.922 175.058 175.900 0.134 0.000 1.038 558 Y CA -1.062 57.100 58.100 0.103 0.000 1.089 558 Y CB 1.684 40.222 38.460 0.131 0.000 1.241 558 Y HN 0.011 nan 8.280 nan 0.000 0.468 559 E N 4.149 124.183 120.200 -0.276 0.000 2.291 559 E HA 0.195 4.546 4.350 0.003 0.000 0.276 559 E C -1.907 174.587 176.600 -0.177 0.000 0.896 559 E CA -0.739 55.602 56.400 -0.099 0.000 0.774 559 E CB 1.365 31.032 29.700 -0.055 0.000 1.227 559 E HN 0.733 nan 8.360 nan 0.000 0.413 560 E N 5.559 125.795 120.200 0.059 0.000 2.200 560 E HA 0.333 4.685 4.350 0.003 0.000 0.283 560 E C -2.098 174.453 176.600 -0.081 0.000 1.015 560 E CA -2.298 54.117 56.400 0.026 0.000 0.819 560 E CB 0.831 30.470 29.700 -0.102 0.000 1.081 560 E HN 0.293 nan 8.360 nan 0.000 0.397 561 P HA 0.028 nan 4.420 nan 0.000 0.269 561 P C 0.042 177.211 177.300 -0.218 0.000 1.209 561 P CA 0.008 63.048 63.100 -0.100 0.000 0.776 561 P CB 0.692 32.381 31.700 -0.017 0.000 0.876 562 R N 1.069 121.347 120.500 -0.371 0.000 2.096 562 R HA -0.097 4.245 4.340 0.003 0.000 0.235 562 R C 1.147 176.917 176.300 -0.883 0.000 1.127 562 R CA 1.762 57.407 56.100 -0.758 0.000 0.968 562 R CB -0.338 29.188 30.300 -1.290 0.000 0.861 562 R HN 0.535 nan 8.270 nan 0.000 0.440 563 F N -1.705 118.236 119.950 -0.014 0.000 2.577 563 F HA 0.189 4.717 4.527 0.003 0.000 0.282 563 F C 1.162 176.964 175.800 0.003 0.000 0.957 563 F CA -0.600 57.395 58.000 -0.008 0.000 1.168 563 F CB -0.189 38.807 39.000 -0.006 0.000 0.958 563 F HN -0.230 nan 8.300 nan 0.000 0.702 564 S N 1.436 117.246 115.700 0.182 0.000 2.563 564 S HA 0.057 4.528 4.470 0.003 0.000 0.284 564 S C 0.854 175.521 174.600 0.112 0.000 1.331 564 S CA -0.137 58.140 58.200 0.128 0.000 1.047 564 S CB 0.469 63.727 63.200 0.097 0.000 0.859 564 S HN 0.100 nan 8.310 nan 0.000 0.514 565 K N 2.375 122.842 120.400 0.111 0.000 2.414 565 K HA 0.150 4.472 4.320 0.003 0.000 0.204 565 K C 1.071 177.749 176.600 0.130 0.000 1.026 565 K CA 0.265 56.627 56.287 0.127 0.000 1.108 565 K CB 0.273 32.828 32.500 0.091 0.000 0.855 565 K HN 0.788 nan 8.250 nan 0.000 0.517 566 T N -3.152 111.466 114.554 0.107 0.000 3.087 566 T HA 0.324 4.675 4.350 0.003 0.000 0.283 566 T C 0.203 174.933 174.700 0.050 0.000 0.956 566 T CA -0.399 61.736 62.100 0.059 0.000 0.894 566 T CB 0.726 69.612 68.868 0.029 0.000 1.160 566 T HN -0.064 nan 8.240 nan 0.000 0.532 567 E N 0.822 121.085 120.200 0.105 0.000 2.359 567 E HA 0.724 5.076 4.350 0.003 0.000 0.266 567 E C -1.510 175.211 176.600 0.202 0.000 0.920 567 E CA -1.313 55.126 56.400 0.065 0.000 0.788 567 E CB 2.303 32.009 29.700 0.010 0.000 1.279 567 E HN 0.404 nan 8.360 nan 0.000 0.438 568 F N -1.753 118.205 119.950 0.013 0.000 2.631 568 F HA 0.783 5.312 4.527 0.003 0.000 0.308 568 F C -0.532 175.218 175.800 -0.083 0.000 1.097 568 F CA -0.932 57.027 58.000 -0.068 0.000 0.952 568 F CB 1.220 40.133 39.000 -0.144 0.000 1.307 568 F HN 0.428 nan 8.300 nan 0.000 0.450 569 G N 1.110 109.792 108.800 -0.197 0.000 2.420 569 G HA2 0.624 4.586 3.960 0.003 0.000 0.331 569 G HA3 0.624 4.586 3.960 0.003 0.000 0.331 569 G C -2.062 172.814 174.900 -0.041 0.000 1.168 569 G CA -1.149 43.847 45.100 -0.174 0.000 0.936 569 G HN 0.709 nan 8.290 nan 0.000 0.479 570 V N 0.934 120.891 119.914 0.072 0.000 2.487 570 V HA 0.390 4.511 4.120 0.003 0.000 0.298 570 V C 0.129 176.205 176.094 -0.030 0.000 1.028 570 V CA -0.642 61.704 62.300 0.076 0.000 0.860 570 V CB 2.056 33.958 31.823 0.131 0.000 0.991 570 V HN 0.765 nan 8.190 nan 0.000 0.427 571 T N 5.280 119.791 114.554 -0.072 0.000 2.782 571 T HA 0.320 4.672 4.350 0.003 0.000 0.298 571 T C 0.014 174.645 174.700 -0.114 0.000 0.944 571 T CA -0.010 62.051 62.100 -0.064 0.000 1.001 571 T CB -0.539 68.307 68.868 -0.035 0.000 0.932 571 T HN 0.537 nan 8.240 nan 0.000 0.524 572 H N 1.389 120.435 119.070 -0.040 0.000 2.497 572 H HA 0.127 4.685 4.556 0.003 0.000 0.348 572 H C 0.896 176.134 175.328 -0.151 0.000 1.335 572 H CA -0.628 55.384 56.048 -0.059 0.000 1.395 572 H CB 0.734 30.401 29.762 -0.158 0.000 1.658 572 H HN 0.573 nan 8.280 nan 0.000 0.613 573 Y N 1.407 121.662 120.300 -0.076 0.000 2.081 573 Y HA -0.240 4.312 4.550 0.003 0.000 0.280 573 Y C 2.169 177.912 175.900 -0.262 0.000 1.163 573 Y CA 2.172 60.201 58.100 -0.117 0.000 1.135 573 Y CB -0.507 37.986 38.460 0.054 0.000 0.970 573 Y HN 0.613 nan 8.280 nan 0.000 0.498 574 A N 0.070 122.475 122.820 -0.691 0.000 2.235 574 A HA 0.441 4.762 4.320 0.003 0.000 0.208 574 A C 1.174 178.527 177.584 -0.385 0.000 1.172 574 A CA 0.999 52.687 52.037 -0.583 0.000 0.786 574 A CB -1.371 17.154 19.000 -0.791 0.000 0.804 574 A HN 0.979 nan 8.150 nan 0.000 0.479 575 G N -1.314 107.303 108.800 -0.305 0.000 2.384 575 G HA2 0.005 3.966 3.960 0.003 0.000 0.668 575 G HA3 0.005 3.966 3.960 0.003 0.000 0.668 575 G C -0.454 174.387 174.900 -0.098 0.000 1.280 575 G CA -0.276 44.716 45.100 -0.181 0.000 0.992 575 G HN 0.634 nan 8.290 nan 0.000 0.512 576 Q N -0.649 119.102 119.800 -0.082 0.000 2.311 576 Q HA 0.486 4.828 4.340 0.003 0.000 0.272 576 Q C -0.355 175.592 176.000 -0.088 0.000 1.012 576 Q CA -0.216 55.551 55.803 -0.059 0.000 0.891 576 Q CB 0.776 29.473 28.738 -0.068 0.000 1.201 576 Q HN 0.717 nan 8.270 nan 0.000 0.391 577 V N 5.781 125.654 119.914 -0.068 0.000 2.487 577 V HA 0.368 4.490 4.120 0.003 0.000 0.298 577 V C -0.227 175.606 176.094 -0.435 0.000 1.028 577 V CA -0.780 61.359 62.300 -0.267 0.000 0.860 577 V CB 1.810 33.434 31.823 -0.331 0.000 0.991 577 V HN 0.878 nan 8.190 nan 0.000 0.427 578 M N 4.938 124.254 119.600 -0.472 0.000 2.157 578 M HA 0.521 5.003 4.480 0.003 0.000 0.354 578 M C -1.170 174.766 176.300 -0.607 0.000 1.170 578 M CA -0.164 54.874 55.300 -0.437 0.000 1.060 578 M CB 1.112 33.573 32.600 -0.230 0.000 1.615 578 M HN 0.566 nan 8.290 nan 0.000 0.460 579 Y N 0.813 120.831 120.300 -0.470 0.000 2.509 579 Y HA 0.415 4.966 4.550 0.003 0.000 0.341 579 Y C 0.276 175.959 175.900 -0.362 0.000 1.038 579 Y CA -0.966 56.898 58.100 -0.394 0.000 1.089 579 Y CB 1.510 39.581 38.460 -0.649 0.000 1.241 579 Y HN 0.580 nan 8.280 nan 0.000 0.468 580 E N 1.305 121.528 120.200 0.038 0.000 2.199 580 E HA 0.437 4.789 4.350 0.003 0.000 0.269 580 E C -0.554 175.917 176.600 -0.215 0.000 0.899 580 E CA -0.820 55.563 56.400 -0.028 0.000 0.772 580 E CB 1.295 31.034 29.700 0.065 0.000 1.155 580 E HN 0.564 nan 8.360 nan 0.000 0.408 581 I N -0.881 119.419 120.570 -0.449 0.000 3.793 581 I HA 0.102 4.274 4.170 0.003 0.000 0.315 581 I C -0.063 175.822 176.117 -0.388 0.000 1.275 581 I CA -0.483 60.228 61.300 -0.981 0.000 1.214 581 I CB -0.914 36.667 38.000 -0.698 0.000 1.018 581 I HN 0.313 nan 8.210 nan 0.000 0.439 582 Q N 2.532 122.288 119.800 -0.074 0.000 2.269 582 Q HA 0.043 4.385 4.340 0.003 0.000 0.300 582 Q C 0.499 176.633 176.000 0.224 0.000 1.070 582 Q CA 1.000 56.842 55.803 0.065 0.000 0.957 582 Q CB -0.335 28.444 28.738 0.068 0.000 1.131 582 Q HN 0.373 nan 8.270 nan 0.000 0.377 583 D N 0.214 120.721 120.400 0.179 0.000 2.946 583 D HA -0.209 4.433 4.640 0.003 0.000 0.202 583 D C 0.180 176.645 176.300 0.276 0.000 1.068 583 D CA 0.919 55.036 54.000 0.196 0.000 1.011 583 D CB -0.951 39.938 40.800 0.148 0.000 1.105 583 D HN 0.651 nan 8.370 nan 0.000 0.425 584 W N 1.131 122.409 121.300 -0.036 0.000 2.338 584 W HA -0.041 4.621 4.660 0.003 0.000 0.304 584 W C 2.593 178.993 176.519 -0.198 0.000 1.212 584 W CA 0.850 58.104 57.345 -0.152 0.000 1.264 584 W CB -1.154 28.215 29.460 -0.153 0.000 1.142 584 W HN 0.200 nan 8.180 nan 0.000 0.512 585 L N -0.319 120.967 121.223 0.106 0.000 2.042 585 L HA -0.218 4.124 4.340 0.003 0.000 0.210 585 L C 2.391 179.255 176.870 -0.009 0.000 1.076 585 L CA 2.027 56.883 54.840 0.026 0.000 0.749 585 L CB -1.088 40.994 42.059 0.039 0.000 0.893 585 L HN 0.017 nan 8.230 nan 0.000 0.432 586 E N 0.659 120.868 120.200 0.015 0.000 2.072 586 E HA -0.237 4.115 4.350 0.003 0.000 0.191 586 E C 2.174 178.763 176.600 -0.018 0.000 0.985 586 E CA 1.183 57.586 56.400 0.005 0.000 0.801 586 E CB 0.113 29.829 29.700 0.027 0.000 0.750 586 E HN 0.351 nan 8.360 nan 0.000 0.452 587 K N 0.248 120.625 120.400 -0.039 0.000 2.152 587 K HA -0.160 4.162 4.320 0.003 0.000 0.206 587 K C 2.012 178.534 176.600 -0.129 0.000 1.048 587 K CA 1.352 57.598 56.287 -0.069 0.000 0.933 587 K CB -0.118 32.307 32.500 -0.126 0.000 0.721 587 K HN 0.049 nan 8.250 nan 0.000 0.447 588 N N 0.869 119.432 118.700 -0.229 0.000 2.270 588 N HA -0.087 4.655 4.740 0.003 0.000 0.181 588 N C 1.050 176.518 175.510 -0.070 0.000 1.016 588 N CA 1.219 54.144 53.050 -0.207 0.000 0.870 588 N CB 0.286 38.631 38.487 -0.237 0.000 0.979 588 N HN 0.138 nan 8.380 nan 0.000 0.431 589 K N -0.715 119.653 120.400 -0.053 0.000 2.168 589 K HA 0.023 4.344 4.320 0.003 0.000 0.201 589 K C -0.090 176.495 176.600 -0.025 0.000 1.049 589 K CA 0.566 56.835 56.287 -0.030 0.000 0.974 589 K CB 0.176 32.660 32.500 -0.027 0.000 0.792 589 K HN -0.002 nan 8.250 nan 0.000 0.463 590 D N 1.356 121.745 120.400 -0.018 0.000 2.697 590 D HA -0.081 4.561 4.640 0.003 0.000 0.238 590 D C -2.446 173.841 176.300 -0.022 0.000 1.152 590 D CA -0.028 53.967 54.000 -0.008 0.000 0.666 590 D CB -0.335 40.470 40.800 0.008 0.000 1.037 590 D HN 0.134 nan 8.370 nan 0.000 0.423 591 P HA 0.348 nan 4.420 nan 0.000 0.271 591 P C -0.617 176.675 177.300 -0.014 0.000 1.218 591 P CA -0.511 62.575 63.100 -0.024 0.000 0.780 591 P CB 1.094 32.785 31.700 -0.015 0.000 0.901 592 L N 1.968 123.181 121.223 -0.017 0.000 2.476 592 L HA 0.273 4.614 4.340 0.003 0.000 0.269 592 L C -0.404 176.472 176.870 0.009 0.000 0.965 592 L CA -0.605 54.237 54.840 0.005 0.000 0.845 592 L CB 1.864 43.934 42.059 0.018 0.000 1.259 592 L HN 0.179 nan 8.230 nan 0.000 0.403 593 Q N 2.334 122.145 119.800 0.018 0.000 2.283 593 Q HA -0.089 4.253 4.340 0.003 0.000 0.301 593 Q C 0.723 176.739 176.000 0.026 0.000 1.063 593 Q CA 0.532 56.346 55.803 0.017 0.000 0.952 593 Q CB 1.345 30.094 28.738 0.019 0.000 1.166 593 Q HN 0.776 nan 8.270 nan 0.000 0.381 594 Q N 3.107 122.918 119.800 0.019 0.000 2.077 594 Q HA -0.213 4.128 4.340 0.003 0.000 0.206 594 Q C 0.533 176.548 176.000 0.025 0.000 0.989 594 Q CA 2.349 58.167 55.803 0.025 0.000 0.853 594 Q CB 0.100 28.851 28.738 0.021 0.000 0.907 594 Q HN 0.585 nan 8.270 nan 0.000 0.418 595 D N -0.206 120.203 120.400 0.014 0.000 2.221 595 D HA -0.145 4.496 4.640 0.003 0.000 0.204 595 D C 1.815 178.119 176.300 0.006 0.000 0.982 595 D CA 0.859 54.860 54.000 0.002 0.000 0.857 595 D CB -0.128 40.668 40.800 -0.007 0.000 0.934 595 D HN 0.334 nan 8.370 nan 0.000 0.475 596 L N 0.755 121.999 121.223 0.035 0.000 2.056 596 L HA -0.138 4.204 4.340 0.003 0.000 0.207 596 L C 2.459 179.366 176.870 0.062 0.000 1.078 596 L CA 0.985 55.870 54.840 0.077 0.000 0.749 596 L CB -0.147 41.965 42.059 0.088 0.000 0.901 596 L HN -0.052 nan 8.230 nan 0.000 0.433 597 E N 0.189 120.424 120.200 0.059 0.000 2.051 597 E HA -0.220 4.132 4.350 0.003 0.000 0.192 597 E C 2.309 178.883 176.600 -0.043 0.000 0.991 597 E CA 1.269 57.713 56.400 0.074 0.000 0.799 597 E CB -0.309 29.475 29.700 0.140 0.000 0.748 597 E HN 0.475 nan 8.360 nan 0.000 0.449 598 L N 0.505 121.715 121.223 -0.021 0.000 1.989 598 L HA -0.253 4.088 4.340 0.003 0.000 0.211 598 L C 2.962 179.756 176.870 -0.126 0.000 1.071 598 L CA 1.360 56.171 54.840 -0.048 0.000 0.749 598 L CB -0.864 41.178 42.059 -0.027 0.000 0.890 598 L HN 0.265 nan 8.230 nan 0.000 0.431 599 C N 0.256 119.463 119.300 -0.156 0.000 2.363 599 C HA -0.283 4.179 4.460 0.003 0.000 0.274 599 C C 2.709 177.401 174.990 -0.497 0.000 1.183 599 C CA 1.271 60.107 59.018 -0.302 0.000 1.771 599 C CB -0.977 26.573 27.740 -0.316 0.000 2.059 599 C HN 0.475 nan 8.230 nan 0.000 0.455 600 F N 0.743 120.373 119.950 -0.534 0.000 2.456 600 F HA 0.076 4.604 4.527 0.003 0.000 0.298 600 F C 2.435 177.900 175.800 -0.559 0.000 1.104 600 F CA 1.206 58.735 58.000 -0.784 0.000 1.435 600 F CB -0.419 37.526 39.000 -1.759 0.000 1.078 600 F HN 0.221 nan 8.300 nan 0.000 0.546 601 K N -0.113 120.148 120.400 -0.231 0.000 2.152 601 K HA -0.130 4.192 4.320 0.003 0.000 0.206 601 K C -0.239 176.356 176.600 -0.009 0.000 1.048 601 K CA 1.057 57.340 56.287 -0.007 0.000 0.933 601 K CB -0.200 32.317 32.500 0.028 0.000 0.721 601 K HN 0.176 nan 8.250 nan 0.000 0.447 602 D N 0.933 121.285 120.400 -0.080 0.000 2.485 602 D HA 0.080 4.722 4.640 0.003 0.000 0.229 602 D C -0.924 175.316 176.300 -0.099 0.000 1.101 602 D CA 0.129 54.088 54.000 -0.069 0.000 0.906 602 D CB 1.427 42.178 40.800 -0.081 0.000 1.019 602 D HN -0.100 nan 8.370 nan 0.000 0.516 603 S N 0.738 116.413 115.700 -0.042 0.000 2.571 603 S HA 0.199 4.671 4.470 0.003 0.000 0.284 603 S C 1.152 175.757 174.600 0.008 0.000 1.128 603 S CA -0.539 57.641 58.200 -0.033 0.000 0.970 603 S CB 2.078 65.289 63.200 0.019 0.000 1.039 603 S HN 0.156 nan 8.310 nan 0.000 0.485 604 S N 2.886 118.588 115.700 0.004 0.000 2.368 604 S HA -0.172 4.299 4.470 0.003 0.000 0.226 604 S C 0.552 175.172 174.600 0.033 0.000 1.044 604 S CA 1.946 60.156 58.200 0.015 0.000 1.062 604 S CB -0.786 62.422 63.200 0.014 0.000 0.931 604 S HN 0.914 nan 8.310 nan 0.000 0.440 605 D N 0.174 120.605 120.400 0.052 0.000 2.531 605 D HA 0.019 4.661 4.640 0.003 0.000 0.239 605 D C 0.844 177.170 176.300 0.043 0.000 1.144 605 D CA 0.424 54.457 54.000 0.056 0.000 0.869 605 D CB 0.337 41.189 40.800 0.086 0.000 1.160 605 D HN 0.302 nan 8.370 nan 0.000 0.484 606 N N 1.888 120.604 118.700 0.027 0.000 2.354 606 N HA -0.073 4.669 4.740 0.003 0.000 0.179 606 N C 1.376 176.876 175.510 -0.016 0.000 1.021 606 N CA 0.231 53.295 53.050 0.023 0.000 0.887 606 N CB 0.353 38.863 38.487 0.039 0.000 0.974 606 N HN 0.233 nan 8.380 nan 0.000 0.437 607 V N -0.272 119.590 119.914 -0.086 0.000 2.446 607 V HA -0.093 4.029 4.120 0.003 0.000 0.244 607 V C 2.053 178.001 176.094 -0.244 0.000 1.039 607 V CA 0.926 63.048 62.300 -0.297 0.000 1.045 607 V CB -0.179 31.335 31.823 -0.514 0.000 0.681 607 V HN 0.093 nan 8.190 nan 0.000 0.459 608 V N 0.300 120.185 119.914 -0.048 0.000 2.287 608 V HA -0.308 3.813 4.120 0.003 0.000 0.248 608 V C 2.600 178.807 176.094 0.189 0.000 1.053 608 V CA 2.730 65.103 62.300 0.122 0.000 1.027 608 V CB -1.303 30.686 31.823 0.277 0.000 0.646 608 V HN 0.628 nan 8.190 nan 0.000 0.447 609 T N 0.038 114.667 114.554 0.125 0.000 2.699 609 T HA -0.275 4.077 4.350 0.003 0.000 0.268 609 T C 2.248 177.024 174.700 0.126 0.000 1.036 609 T CA 2.462 64.645 62.100 0.137 0.000 1.147 609 T CB -0.538 68.378 68.868 0.080 0.000 0.862 609 T HN 0.708 nan 8.240 nan 0.000 0.446 610 K N 1.679 122.106 120.400 0.045 0.000 2.009 610 K HA 0.042 4.363 4.320 0.003 0.000 0.210 610 K C 2.306 178.905 176.600 -0.002 0.000 1.049 610 K CA 1.596 57.903 56.287 0.034 0.000 0.929 610 K CB -1.510 31.007 32.500 0.028 0.000 0.714 610 K HN 0.493 nan 8.250 nan 0.000 0.440 611 L N -1.553 119.607 121.223 -0.105 0.000 2.129 611 L HA -0.088 4.254 4.340 0.003 0.000 0.212 611 L C 2.445 179.069 176.870 -0.411 0.000 1.087 611 L CA 1.483 56.162 54.840 -0.268 0.000 0.757 611 L CB -0.410 41.410 42.059 -0.398 0.000 0.896 611 L HN 0.356 nan 8.230 nan 0.000 0.434 612 F N -1.204 118.740 119.950 -0.010 0.000 2.717 612 F HA 0.106 4.635 4.527 0.003 0.000 0.295 612 F C 2.140 177.957 175.800 0.028 0.000 1.117 612 F CA 0.116 58.123 58.000 0.012 0.000 1.361 612 F CB -0.026 39.000 39.000 0.043 0.000 1.112 612 F HN 0.047 nan 8.300 nan 0.000 0.594 613 N N -0.539 118.268 118.700 0.179 0.000 2.356 613 N HA -0.052 4.689 4.740 0.003 0.000 0.178 613 N C -0.098 175.465 175.510 0.089 0.000 1.075 613 N CA 0.434 53.562 53.050 0.130 0.000 0.889 613 N CB 0.219 38.775 38.487 0.115 0.000 0.999 613 N HN 0.101 nan 8.380 nan 0.000 0.464 614 D N 2.445 122.885 120.400 0.066 0.000 2.411 614 D HA 0.133 4.775 4.640 0.003 0.000 0.225 614 D C -1.596 174.735 176.300 0.052 0.000 1.156 614 D CA -2.327 51.708 54.000 0.059 0.000 0.874 614 D CB 1.357 42.197 40.800 0.067 0.000 1.034 614 D HN 0.017 nan 8.370 nan 0.000 0.502 615 P HA -0.156 nan 4.420 nan 0.000 0.223 615 P C 0.579 177.925 177.300 0.077 0.000 1.140 615 P CA 0.779 63.936 63.100 0.094 0.000 0.783 615 P CB 0.392 32.146 31.700 0.090 0.000 0.759 616 N N -1.067 117.663 118.700 0.049 0.000 2.424 616 N HA 0.094 4.835 4.740 0.003 0.000 0.178 616 N C 1.682 177.207 175.510 0.024 0.000 1.060 616 N CA 0.603 53.674 53.050 0.035 0.000 0.901 616 N CB 0.149 38.648 38.487 0.020 0.000 0.979 616 N HN 0.300 nan 8.380 nan 0.000 0.451 617 I N -0.504 120.077 120.570 0.018 0.000 3.366 617 I HA 0.135 4.306 4.170 0.003 0.000 0.267 617 I C 1.669 177.753 176.117 -0.055 0.000 1.149 617 I CA 0.236 61.530 61.300 -0.011 0.000 1.436 617 I CB -0.098 37.903 38.000 0.002 0.000 1.379 617 I HN -0.117 nan 8.210 nan 0.000 0.460 618 A N 0.390 123.173 122.820 -0.061 0.000 2.206 618 A HA 0.167 4.489 4.320 0.003 0.000 0.211 618 A C 0.820 178.367 177.584 -0.063 0.000 1.158 618 A CA 0.609 52.581 52.037 -0.110 0.000 0.761 618 A CB -0.176 18.765 19.000 -0.098 0.000 0.801 618 A HN 0.359 nan 8.150 nan 0.000 0.473 619 S N -2.060 113.652 115.700 0.020 0.000 2.569 619 S HA 0.483 4.954 4.470 0.003 0.000 0.280 619 S C 0.521 175.210 174.600 0.147 0.000 1.111 619 S CA -0.773 57.473 58.200 0.077 0.000 0.887 619 S CB 1.887 65.344 63.200 0.428 0.000 1.095 619 S HN 0.393 nan 8.310 nan 0.000 0.476 620 R N 0.541 121.151 120.500 0.183 0.000 2.057 620 R HA 0.365 4.706 4.340 0.003 0.000 0.224 620 R C 0.707 177.151 176.300 0.241 0.000 1.136 620 R CA 1.150 57.365 56.100 0.192 0.000 0.968 620 R CB 0.004 30.389 30.300 0.142 0.000 0.863 620 R HN 0.724 nan 8.270 nan 0.000 0.433 628 I N -0.441 120.256 120.570 0.212 0.000 3.021 628 I HA 0.672 4.844 4.170 0.003 0.000 0.303 628 I C 0.446 176.638 176.117 0.124 0.000 1.044 628 I CA -0.424 60.956 61.300 0.134 0.000 1.266 628 I CB 1.252 39.319 38.000 0.112 0.000 1.447 628 I HN 0.675 nan 8.210 nan 0.000 0.593 629 T N 0.672 115.282 114.554 0.094 0.000 2.788 629 T HA 0.266 4.617 4.350 0.003 0.000 0.280 629 T C 1.107 175.872 174.700 0.108 0.000 0.984 629 T CA -0.727 61.419 62.100 0.076 0.000 0.972 629 T CB 1.552 70.451 68.868 0.051 0.000 1.039 629 T HN 0.461 nan 8.240 nan 0.000 0.530 630 V N 1.177 121.154 119.914 0.105 0.000 2.358 630 V HA -0.084 4.038 4.120 0.003 0.000 0.246 630 V C 3.080 179.331 176.094 0.261 0.000 1.047 630 V CA 2.210 64.615 62.300 0.176 0.000 1.035 630 V CB -1.602 30.330 31.823 0.182 0.000 0.658 630 V HN 1.065 nan 8.190 nan 0.000 0.452 631 A N -0.045 122.925 122.820 0.249 0.000 1.933 631 A HA -0.093 4.228 4.320 0.003 0.000 0.218 631 A C 2.422 180.155 177.584 0.247 0.000 1.175 631 A CA 1.991 54.215 52.037 0.311 0.000 0.628 631 A CB -0.728 18.423 19.000 0.251 0.000 0.814 631 A HN 0.557 nan 8.150 nan 0.000 0.444 632 A N -0.649 122.275 122.820 0.173 0.000 1.902 632 A HA -0.237 4.085 4.320 0.003 0.000 0.217 632 A C 2.228 179.909 177.584 0.161 0.000 1.181 632 A CA 1.829 53.953 52.037 0.145 0.000 0.623 632 A CB -0.611 18.453 19.000 0.107 0.000 0.818 632 A HN 0.673 nan 8.150 nan 0.000 0.443 633 Q N -2.101 117.802 119.800 0.171 0.000 2.119 633 Q HA -0.225 4.116 4.340 0.003 0.000 0.201 633 Q C 1.916 178.019 176.000 0.173 0.000 0.972 633 Q CA 1.856 57.752 55.803 0.156 0.000 0.847 633 Q CB -0.304 28.524 28.738 0.150 0.000 0.903 633 Q HN 0.747 nan 8.270 nan 0.000 0.433 634 Y N 1.263 121.636 120.300 0.122 0.000 2.200 634 Y HA -0.201 4.351 4.550 0.003 0.000 0.290 634 Y C 2.347 178.318 175.900 0.119 0.000 1.137 634 Y CA 2.064 60.231 58.100 0.111 0.000 1.163 634 Y CB 0.012 38.529 38.460 0.096 0.000 0.988 634 Y HN 0.044 nan 8.280 nan 0.000 0.518 635 K N 0.079 120.680 120.400 0.334 0.000 2.057 635 K HA -0.231 4.091 4.320 0.003 0.000 0.207 635 K C 2.220 178.885 176.600 0.109 0.000 1.049 635 K CA 1.646 58.119 56.287 0.310 0.000 0.931 635 K CB -0.218 32.453 32.500 0.285 0.000 0.714 635 K HN 0.247 nan 8.250 nan 0.000 0.440 636 E N 1.180 121.428 120.200 0.080 0.000 2.017 636 E HA -0.221 4.130 4.350 0.003 0.000 0.193 636 E C 1.958 178.543 176.600 -0.026 0.000 0.997 636 E CA 1.763 58.184 56.400 0.035 0.000 0.804 636 E CB -0.110 29.623 29.700 0.055 0.000 0.757 636 E HN 0.482 nan 8.360 nan 0.000 0.448 637 Q N 0.204 119.972 119.800 -0.053 0.000 2.226 637 Q HA -0.154 4.188 4.340 0.003 0.000 0.204 637 Q C 2.274 178.135 176.000 -0.231 0.000 0.975 637 Q CA 1.032 56.783 55.803 -0.087 0.000 0.866 637 Q CB -0.198 28.542 28.738 0.004 0.000 0.915 637 Q HN 0.172 nan 8.270 nan 0.000 0.440 638 L N 0.724 121.741 121.223 -0.344 0.000 2.093 638 L HA -0.032 4.310 4.340 0.003 0.000 0.208 638 L C 2.166 178.876 176.870 -0.266 0.000 1.085 638 L CA 1.865 56.449 54.840 -0.426 0.000 0.755 638 L CB -0.724 41.015 42.059 -0.533 0.000 0.904 638 L HN 0.109 nan 8.230 nan 0.000 0.435 639 A N -1.303 121.430 122.820 -0.145 0.000 1.902 639 A HA -0.156 4.166 4.320 0.003 0.000 0.217 639 A C 2.364 179.894 177.584 -0.089 0.000 1.181 639 A CA 1.862 53.848 52.037 -0.085 0.000 0.623 639 A CB -0.907 18.082 19.000 -0.018 0.000 0.818 639 A HN 0.527 nan 8.150 nan 0.000 0.443 640 S N -0.376 115.273 115.700 -0.086 0.000 2.356 640 S HA -0.161 4.311 4.470 0.003 0.000 0.223 640 S C 1.895 176.419 174.600 -0.127 0.000 1.032 640 S CA 1.459 59.615 58.200 -0.073 0.000 1.005 640 S CB -0.543 62.630 63.200 -0.045 0.000 0.867 640 S HN 0.538 nan 8.310 nan 0.000 0.449 641 L N 1.847 122.951 121.223 -0.198 0.000 2.013 641 L HA -0.133 4.209 4.340 0.003 0.000 0.212 641 L C 2.116 178.787 176.870 -0.332 0.000 1.073 641 L CA 1.898 56.540 54.840 -0.331 0.000 0.753 641 L CB -0.611 41.181 42.059 -0.446 0.000 0.890 641 L HN 0.218 nan 8.230 nan 0.000 0.432 642 M N -0.655 118.784 119.600 -0.268 0.000 2.159 642 M HA -0.112 4.370 4.480 0.003 0.000 0.263 642 M C 2.430 178.664 176.300 -0.110 0.000 1.063 642 M CA 1.669 56.831 55.300 -0.230 0.000 1.110 642 M CB -1.822 30.682 32.600 -0.160 0.000 1.374 642 M HN 0.485 nan 8.290 nan 0.000 0.411 643 A N 0.284 123.065 122.820 -0.065 0.000 1.858 643 A HA -0.157 4.165 4.320 0.003 0.000 0.216 643 A C 2.369 179.971 177.584 0.030 0.000 1.190 643 A CA 2.440 54.480 52.037 0.005 0.000 0.617 643 A CB -1.230 17.772 19.000 0.003 0.000 0.827 643 A HN 0.462 nan 8.150 nan 0.000 0.443 644 T N 0.850 115.399 114.554 -0.008 0.000 2.635 644 T HA -0.172 4.180 4.350 0.003 0.000 0.267 644 T C 1.824 176.586 174.700 0.103 0.000 1.040 644 T CA 1.691 63.828 62.100 0.062 0.000 1.156 644 T CB -0.570 68.286 68.868 -0.021 0.000 0.863 644 T HN 0.381 nan 8.240 nan 0.000 0.430 645 L N 0.921 122.112 121.223 -0.054 0.000 2.081 645 L HA -0.136 4.206 4.340 0.003 0.000 0.212 645 L C 2.847 179.814 176.870 0.162 0.000 1.080 645 L CA 1.243 56.036 54.840 -0.077 0.000 0.754 645 L CB -0.686 41.041 42.059 -0.555 0.000 0.893 645 L HN 0.229 nan 8.230 nan 0.000 0.433 646 E N -0.106 120.208 120.200 0.190 0.000 2.204 646 E HA -0.189 4.163 4.350 0.003 0.000 0.195 646 E C 2.083 178.817 176.600 0.223 0.000 0.990 646 E CA 1.811 58.398 56.400 0.311 0.000 0.821 646 E CB -0.273 29.566 29.700 0.231 0.000 0.750 646 E HN 0.587 nan 8.360 nan 0.000 0.477 647 T N -1.332 113.330 114.554 0.180 0.000 3.169 647 T HA 0.031 4.382 4.350 0.003 0.000 0.250 647 T C 0.869 175.641 174.700 0.119 0.000 1.111 647 T CA 0.341 62.529 62.100 0.148 0.000 1.010 647 T CB -0.229 68.734 68.868 0.160 0.000 0.984 647 T HN 0.090 nan 8.240 nan 0.000 0.537 648 T N -0.352 114.286 114.554 0.140 0.000 2.927 648 T HA 0.547 4.899 4.350 0.003 0.000 0.286 648 T C -0.679 174.047 174.700 0.044 0.000 1.040 648 T CA -1.056 61.083 62.100 0.064 0.000 1.010 648 T CB 1.487 70.412 68.868 0.095 0.000 1.177 648 T HN 0.105 nan 8.240 nan 0.000 0.546 649 N N 2.462 121.148 118.700 -0.024 0.000 2.426 649 N HA 0.468 5.210 4.740 0.003 0.000 0.257 649 N C -2.652 172.709 175.510 -0.249 0.000 1.002 649 N CA -2.001 50.990 53.050 -0.098 0.000 0.942 649 N CB 1.127 39.566 38.487 -0.079 0.000 1.112 649 N HN 0.409 nan 8.380 nan 0.000 0.499 650 P HA 0.312 nan 4.420 nan 0.000 0.285 650 P C -1.249 175.421 177.300 -1.050 0.000 1.269 650 P CA -0.256 62.510 63.100 -0.558 0.000 0.844 650 P CB 1.438 32.878 31.700 -0.433 0.000 1.094 651 H N 0.826 119.571 119.070 -0.542 0.000 2.667 651 H HA 0.387 4.945 4.556 0.003 0.000 0.353 651 H C -0.873 174.150 175.328 -0.508 0.000 1.072 651 H CA -0.252 55.562 56.048 -0.391 0.000 1.214 651 H CB 1.107 30.799 29.762 -0.117 0.000 1.600 651 H HN 0.307 nan 8.280 nan 0.000 0.527 652 F N 1.570 121.664 119.950 0.241 0.000 2.426 652 F HA 0.343 4.872 4.527 0.003 0.000 0.348 652 F C 0.166 176.170 175.800 0.340 0.000 1.124 652 F CA -0.923 57.244 58.000 0.280 0.000 1.008 652 F CB 1.640 40.791 39.000 0.252 0.000 1.139 652 F HN 0.110 nan 8.300 nan 0.000 0.452 653 V N 4.438 124.597 119.914 0.408 0.000 2.384 653 V HA 0.506 4.628 4.120 0.003 0.000 0.287 653 V C -0.227 176.006 176.094 0.232 0.000 1.020 653 V CA -0.964 61.518 62.300 0.303 0.000 0.850 653 V CB 1.470 33.410 31.823 0.194 0.000 0.987 653 V HN 0.544 nan 8.190 nan 0.000 0.436 654 R N 2.889 123.489 120.500 0.166 0.000 2.233 654 R HA 0.381 4.722 4.340 0.003 0.000 0.334 654 R C -0.836 175.474 176.300 0.016 0.000 1.037 654 R CA -0.335 55.778 56.100 0.022 0.000 0.920 654 R CB 0.886 31.088 30.300 -0.163 0.000 1.137 654 R HN 0.649 nan 8.270 nan 0.000 0.492 655 C N 4.588 123.899 119.300 0.019 0.000 2.482 655 C HA 0.431 4.893 4.460 0.003 0.000 0.378 655 C C 0.694 175.668 174.990 -0.028 0.000 1.284 655 C CA -0.604 58.412 59.018 -0.003 0.000 1.826 655 C CB -0.482 27.258 27.740 0.000 0.000 2.473 655 C HN 0.533 nan 8.230 nan 0.000 0.562 656 I N 5.230 125.769 120.570 -0.052 0.000 2.441 656 I HA 0.438 4.610 4.170 0.003 0.000 0.295 656 I C 0.267 176.342 176.117 -0.069 0.000 0.994 656 I CA -0.811 60.455 61.300 -0.056 0.000 1.144 656 I CB 1.350 39.308 38.000 -0.071 0.000 1.314 656 I HN 0.598 nan 8.210 nan 0.000 0.445 657 I N 5.345 125.899 120.570 -0.026 0.000 2.396 657 I HA 0.387 4.559 4.170 0.003 0.000 0.292 657 I C -1.660 174.464 176.117 0.011 0.000 0.999 657 I CA -1.666 59.646 61.300 0.020 0.000 1.310 657 I CB 1.050 39.116 38.000 0.110 0.000 1.404 657 I HN 0.304 nan 8.210 nan 0.000 0.496 658 P HA -0.027 nan 4.420 nan 0.000 0.225 658 P C -0.603 176.714 177.300 0.028 0.000 1.156 658 P CA 1.020 64.091 63.100 -0.049 0.000 0.787 658 P CB -0.095 31.554 31.700 -0.085 0.000 0.802 659 N N -2.655 116.103 118.700 0.096 0.000 3.179 659 N HA 0.137 4.879 4.740 0.003 0.000 0.250 659 N C -0.245 175.301 175.510 0.060 0.000 1.507 659 N CA -0.780 52.303 53.050 0.055 0.000 0.883 659 N CB -0.607 37.906 38.487 0.044 0.000 1.435 659 N HN -0.409 nan 8.380 nan 0.000 0.532 660 N N -1.452 117.256 118.700 0.013 0.000 2.270 660 N HA 0.097 4.839 4.740 0.003 0.000 0.198 660 N C 0.322 175.800 175.510 -0.053 0.000 1.117 660 N CA 0.489 53.537 53.050 -0.004 0.000 0.845 660 N CB 0.482 38.964 38.487 -0.009 0.000 0.980 660 N HN 0.764 nan 8.380 nan 0.000 0.486 661 K N 0.611 120.959 120.400 -0.087 0.000 2.358 661 K HA 0.129 4.450 4.320 0.003 0.000 0.197 661 K C 0.651 177.073 176.600 -0.297 0.000 1.025 661 K CA -0.073 56.127 56.287 -0.144 0.000 1.104 661 K CB -0.451 31.988 32.500 -0.101 0.000 0.855 661 K HN 0.245 nan 8.250 nan 0.000 0.531 662 Q N -0.793 118.689 119.800 -0.530 0.000 2.494 662 Q HA -0.146 4.196 4.340 0.003 0.000 0.272 662 Q C -0.529 174.817 176.000 -1.090 0.000 1.145 662 Q CA 0.699 55.757 55.803 -1.243 0.000 0.943 662 Q CB -2.184 26.113 28.738 -0.734 0.000 1.338 662 Q HN 0.588 nan 8.270 nan 0.000 0.492 663 L N 0.631 121.491 121.223 -0.605 0.000 2.334 663 L HA 0.651 4.993 4.340 0.003 0.000 0.273 663 L C -2.011 174.900 176.870 0.068 0.000 1.013 663 L CA -2.225 52.490 54.840 -0.208 0.000 0.816 663 L CB 1.288 43.292 42.059 -0.092 0.000 1.278 663 L HN -0.151 nan 8.230 nan 0.000 0.431 664 P HA 0.270 nan 4.420 nan 0.000 0.280 664 P C -0.119 177.275 177.300 0.158 0.000 1.272 664 P CA -0.238 62.995 63.100 0.222 0.000 0.819 664 P CB 1.306 33.091 31.700 0.141 0.000 1.122 665 A N -1.822 121.103 122.820 0.175 0.000 2.847 665 A HA -0.044 4.277 4.320 0.003 0.000 0.263 665 A C 0.629 178.320 177.584 0.177 0.000 1.391 665 A CA 1.822 53.945 52.037 0.145 0.000 0.866 665 A CB -2.904 16.133 19.000 0.062 0.000 1.057 665 A HN 0.902 nan 8.150 nan 0.000 0.673 666 K N -0.753 119.783 120.400 0.227 0.000 2.752 666 K HA 0.676 4.997 4.320 0.003 0.000 0.199 666 K C -0.705 175.975 176.600 0.133 0.000 1.069 666 K CA 0.346 56.724 56.287 0.152 0.000 1.033 666 K CB 0.563 33.118 32.500 0.091 0.000 1.229 666 K HN 1.429 nan 8.250 nan 0.000 0.572 667 L N 2.087 123.381 121.223 0.119 0.000 2.288 667 L HA 0.344 4.686 4.340 0.003 0.000 0.283 667 L C -0.202 176.747 176.870 0.133 0.000 1.072 667 L CA -0.107 54.744 54.840 0.018 0.000 0.862 667 L CB 0.799 42.760 42.059 -0.162 0.000 1.245 667 L HN 0.607 nan 8.230 nan 0.000 0.432 668 E N 2.726 122.963 120.200 0.063 0.000 2.152 668 E HA 0.036 4.388 4.350 0.003 0.000 0.285 668 E C 0.332 176.858 176.600 -0.124 0.000 1.043 668 E CA -0.180 56.223 56.400 0.004 0.000 0.839 668 E CB 0.883 30.574 29.700 -0.016 0.000 1.069 668 E HN 0.675 nan 8.360 nan 0.000 0.399 669 D N 4.330 124.551 120.400 -0.299 0.000 2.133 669 D HA -0.276 4.366 4.640 0.003 0.000 0.195 669 D C 1.018 177.002 176.300 -0.527 0.000 0.997 669 D CA 1.558 55.037 54.000 -0.868 0.000 0.840 669 D CB 0.023 40.291 40.800 -0.885 0.000 0.947 669 D HN 0.276 nan 8.370 nan 0.000 0.452 670 K N 0.463 120.699 120.400 -0.273 0.000 2.001 670 K HA -0.024 4.298 4.320 0.003 0.000 0.208 670 K C 2.455 178.968 176.600 -0.145 0.000 1.048 670 K CA 1.049 57.227 56.287 -0.181 0.000 0.932 670 K CB -0.495 31.934 32.500 -0.118 0.000 0.715 670 K HN 0.067 nan 8.250 nan 0.000 0.437 671 V N 1.893 121.742 119.914 -0.109 0.000 2.278 671 V HA -0.274 3.848 4.120 0.003 0.000 0.251 671 V C 2.451 178.504 176.094 -0.069 0.000 1.062 671 V CA 1.797 64.058 62.300 -0.066 0.000 1.038 671 V CB -0.536 31.266 31.823 -0.035 0.000 0.646 671 V HN 0.098 nan 8.190 nan 0.000 0.447 672 V N -0.632 119.223 119.914 -0.099 0.000 2.229 672 V HA -0.242 3.879 4.120 0.003 0.000 0.243 672 V C 2.290 178.334 176.094 -0.083 0.000 1.042 672 V CA 2.113 64.373 62.300 -0.066 0.000 1.000 672 V CB -0.604 31.239 31.823 0.033 0.000 0.637 672 V HN 0.414 nan 8.190 nan 0.000 0.446 673 L N 0.285 121.408 121.223 -0.166 0.000 2.081 673 L HA -0.262 4.080 4.340 0.003 0.000 0.212 673 L C 2.375 179.197 176.870 -0.079 0.000 1.080 673 L CA 2.087 56.852 54.840 -0.126 0.000 0.754 673 L CB -0.622 41.330 42.059 -0.179 0.000 0.893 673 L HN 0.469 nan 8.230 nan 0.000 0.433 674 D N -0.516 119.835 120.400 -0.081 0.000 2.104 674 D HA -0.236 4.406 4.640 0.003 0.000 0.194 674 D C 2.220 178.499 176.300 -0.035 0.000 0.994 674 D CA 1.446 55.413 54.000 -0.057 0.000 0.830 674 D CB 0.075 40.845 40.800 -0.051 0.000 0.959 674 D HN 0.305 nan 8.370 nan 0.000 0.452 675 Q N -0.564 119.218 119.800 -0.030 0.000 2.124 675 Q HA -0.069 4.272 4.340 0.003 0.000 0.202 675 Q C 2.438 178.423 176.000 -0.025 0.000 0.977 675 Q CA 0.838 56.632 55.803 -0.014 0.000 0.850 675 Q CB -0.041 28.687 28.738 -0.017 0.000 0.901 675 Q HN 0.404 nan 8.270 nan 0.000 0.429 676 L N -0.065 121.134 121.223 -0.039 0.000 2.141 676 L HA -0.165 4.177 4.340 0.003 0.000 0.209 676 L C 2.440 179.292 176.870 -0.031 0.000 1.094 676 L CA 1.032 55.841 54.840 -0.051 0.000 0.763 676 L CB -0.353 41.685 42.059 -0.036 0.000 0.908 676 L HN 0.171 nan 8.230 nan 0.000 0.437 677 R N -0.627 119.859 120.500 -0.023 0.000 2.066 677 R HA -0.122 4.219 4.340 0.003 0.000 0.232 677 R C 2.358 178.664 176.300 0.011 0.000 1.131 677 R CA 1.761 57.848 56.100 -0.021 0.000 0.955 677 R CB -0.483 29.788 30.300 -0.049 0.000 0.851 677 R HN 0.388 nan 8.270 nan 0.000 0.432 678 C N 1.410 120.729 119.300 0.032 0.000 2.448 678 C HA 0.005 4.466 4.460 0.003 0.000 0.280 678 C C 1.777 176.951 174.990 0.307 0.000 1.398 678 C CA 0.404 59.499 59.018 0.128 0.000 1.774 678 C CB -1.063 26.740 27.740 0.106 0.000 1.888 678 C HN 0.604 nan 8.230 nan 0.000 0.519 679 N N 0.252 119.037 118.700 0.143 0.000 2.270 679 N HA 0.183 4.925 4.740 0.003 0.000 0.198 679 N C 1.142 176.618 175.510 -0.057 0.000 1.117 679 N CA 0.930 54.012 53.050 0.053 0.000 0.845 679 N CB -0.223 38.211 38.487 -0.088 0.000 0.980 679 N HN 0.476 nan 8.380 nan 0.000 0.486 680 G N -0.477 108.391 108.800 0.114 0.000 2.199 680 G HA2 -0.320 3.642 3.960 0.003 0.000 0.254 680 G HA3 -0.320 3.642 3.960 0.003 0.000 0.254 680 G C 0.782 175.624 174.900 -0.097 0.000 0.982 680 G CA 0.371 45.511 45.100 0.066 0.000 0.632 680 G HN 0.245 nan 8.290 nan 0.000 0.529 681 V N 1.063 120.791 119.914 -0.309 0.000 2.307 681 V HA -0.036 4.086 4.120 0.003 0.000 0.245 681 V C 2.863 178.954 176.094 -0.005 0.000 1.045 681 V CA 2.187 64.296 62.300 -0.318 0.000 1.024 681 V CB -0.395 31.196 31.823 -0.386 0.000 0.651 681 V HN 0.474 nan 8.190 nan 0.000 0.449 682 L N -0.475 120.756 121.223 0.012 0.000 2.141 682 L HA -0.155 4.187 4.340 0.003 0.000 0.209 682 L C 2.573 179.507 176.870 0.108 0.000 1.094 682 L CA 1.512 56.386 54.840 0.056 0.000 0.763 682 L CB -0.503 41.573 42.059 0.028 0.000 0.908 682 L HN 0.451 nan 8.230 nan 0.000 0.437 683 E N 0.297 120.591 120.200 0.157 0.000 2.028 683 E HA -0.161 4.191 4.350 0.003 0.000 0.190 683 E C 2.124 178.862 176.600 0.229 0.000 0.984 683 E CA 1.134 57.657 56.400 0.205 0.000 0.800 683 E CB -0.112 29.777 29.700 0.315 0.000 0.758 683 E HN 0.466 nan 8.360 nan 0.000 0.448 684 G N 1.489 110.468 108.800 0.298 0.000 2.469 684 G HA2 -0.267 3.695 3.960 0.003 0.000 0.220 684 G HA3 -0.267 3.695 3.960 0.003 0.000 0.220 684 G C 1.604 176.653 174.900 0.248 0.000 1.136 684 G CA 0.834 46.142 45.100 0.347 0.000 0.759 684 G HN 0.186 nan 8.290 nan 0.000 0.562 685 I N 1.067 121.763 120.570 0.211 0.000 2.045 685 I HA -0.235 3.936 4.170 0.003 0.000 0.233 685 I C 3.069 179.266 176.117 0.133 0.000 1.048 685 I CA 1.868 63.264 61.300 0.161 0.000 1.313 685 I CB -0.294 37.785 38.000 0.131 0.000 1.043 685 I HN 0.262 nan 8.210 nan 0.000 0.393 686 R N 1.206 121.776 120.500 0.117 0.000 2.185 686 R HA -0.222 4.120 4.340 0.003 0.000 0.247 686 R C 2.054 178.415 176.300 0.102 0.000 1.159 686 R CA 1.824 57.982 56.100 0.098 0.000 0.988 686 R CB -0.946 29.406 30.300 0.087 0.000 0.871 686 R HN 0.416 nan 8.270 nan 0.000 0.458 687 I N 1.481 122.128 120.570 0.128 0.000 2.193 687 I HA -0.206 3.965 4.170 0.003 0.000 0.240 687 I C 1.824 178.012 176.117 0.117 0.000 1.084 687 I CA 1.917 63.295 61.300 0.129 0.000 1.365 687 I CB -0.182 37.914 38.000 0.160 0.000 1.064 687 I HN 0.374 nan 8.210 nan 0.000 0.410 688 T N -0.797 113.833 114.554 0.126 0.000 2.904 688 T HA -0.142 4.209 4.350 0.003 0.000 0.267 688 T C 1.834 176.592 174.700 0.096 0.000 1.059 688 T CA 0.603 62.774 62.100 0.119 0.000 1.137 688 T CB -0.375 68.572 68.868 0.132 0.000 0.879 688 T HN 0.217 nan 8.240 nan 0.000 0.467 689 R N 1.688 122.241 120.500 0.089 0.000 2.165 689 R HA -0.238 4.104 4.340 0.003 0.000 0.254 689 R C 2.204 178.522 176.300 0.030 0.000 1.153 689 R CA 1.816 57.954 56.100 0.064 0.000 0.971 689 R CB -0.252 30.090 30.300 0.070 0.000 0.878 689 R HN 0.419 nan 8.270 nan 0.000 0.449 690 K N -0.924 119.499 120.400 0.039 0.000 2.009 690 K HA -0.092 4.230 4.320 0.003 0.000 0.210 690 K C 1.755 178.329 176.600 -0.043 0.000 1.049 690 K CA 1.443 57.737 56.287 0.012 0.000 0.929 690 K CB -0.361 32.165 32.500 0.044 0.000 0.714 690 K HN 0.389 nan 8.250 nan 0.000 0.440 691 G N 0.629 109.436 108.800 0.011 0.000 3.107 691 G HA2 0.099 4.061 3.960 0.003 0.000 0.155 691 G HA3 0.099 4.061 3.960 0.003 0.000 0.155 691 G C -0.352 174.419 174.900 -0.216 0.000 1.875 691 G CA -0.210 44.892 45.100 0.003 0.000 1.004 691 G HN 0.176 nan 8.290 nan 0.000 0.480 692 F N 1.214 121.228 119.950 0.106 0.000 2.552 692 F HA 0.360 4.888 4.527 0.002 0.000 0.369 692 F C -1.676 174.289 175.800 0.275 0.000 1.112 692 F CA -1.649 56.474 58.000 0.204 0.000 1.129 692 F CB 2.561 41.697 39.000 0.227 0.000 1.360 692 F HN 0.146 nan 8.300 nan 0.000 0.473 693 P HA -0.018 nan 4.420 nan 0.000 0.212 693 P C -0.594 176.793 177.300 0.145 0.000 1.171 693 P CA 0.694 63.909 63.100 0.191 0.000 0.892 693 P CB 0.138 31.909 31.700 0.118 0.000 0.769 694 N N 0.743 119.524 118.700 0.135 0.000 2.438 694 N HA 0.369 5.111 4.740 0.003 0.000 0.267 694 N C 0.463 175.977 175.510 0.007 0.000 1.222 694 N CA -0.137 52.970 53.050 0.096 0.000 0.930 694 N CB -0.210 38.364 38.487 0.144 0.000 1.083 694 N HN 0.100 nan 8.380 nan 0.000 0.476 695 R N 1.313 121.654 120.500 -0.267 0.000 2.655 695 R HA 0.489 4.830 4.340 0.003 0.000 0.261 695 R C 0.072 176.015 176.300 -0.595 0.000 1.624 695 R CA -0.214 55.355 56.100 -0.885 0.000 1.655 695 R CB -1.046 28.176 30.300 -1.797 0.000 1.356 695 R HN 0.569 nan 8.270 nan 0.000 0.684 696 I N 0.334 120.717 120.570 -0.312 0.000 3.194 696 I HA 0.715 4.886 4.170 0.003 0.000 0.283 696 I C 0.678 176.612 176.117 -0.305 0.000 1.199 696 I CA -0.629 60.555 61.300 -0.195 0.000 1.328 696 I CB 0.213 38.206 38.000 -0.013 0.000 1.404 696 I HN 0.506 nan 8.210 nan 0.000 0.618 697 I N 2.354 122.820 120.570 -0.174 0.000 2.365 697 I HA 0.367 4.539 4.170 0.003 0.000 0.291 697 I C 1.011 177.082 176.117 -0.077 0.000 1.004 697 I CA 0.061 61.266 61.300 -0.159 0.000 1.311 697 I CB 0.828 38.806 38.000 -0.036 0.000 1.401 697 I HN 0.669 nan 8.210 nan 0.000 0.491 698 Y N 4.597 124.937 120.300 0.067 0.000 2.081 698 Y HA -0.333 4.218 4.550 0.002 0.000 0.280 698 Y C 2.267 178.230 175.900 0.105 0.000 1.163 698 Y CA 1.772 59.936 58.100 0.106 0.000 1.135 698 Y CB -0.293 38.233 38.460 0.110 0.000 0.970 698 Y HN 0.708 nan 8.280 nan 0.000 0.498 699 A N -0.367 122.606 122.820 0.256 0.000 2.121 699 A HA -0.151 4.171 4.320 0.003 0.000 0.218 699 A C 1.335 178.997 177.584 0.131 0.000 1.154 699 A CA 1.832 53.966 52.037 0.161 0.000 0.679 699 A CB -0.517 18.552 19.000 0.115 0.000 0.795 699 A HN 0.424 nan 8.150 nan 0.000 0.458 700 D N -1.951 118.526 120.400 0.130 0.000 2.305 700 D HA 0.169 4.811 4.640 0.003 0.000 0.206 700 D C 1.672 178.078 176.300 0.177 0.000 0.974 700 D CA 1.448 55.518 54.000 0.115 0.000 0.871 700 D CB -0.215 40.630 40.800 0.074 0.000 0.947 700 D HN 0.428 nan 8.370 nan 0.000 0.516 701 F N 0.284 120.368 119.950 0.222 0.000 2.188 701 F HA 0.104 4.632 4.527 0.003 0.000 0.289 701 F C 2.406 178.455 175.800 0.414 0.000 1.082 701 F CA 0.830 59.030 58.000 0.333 0.000 1.282 701 F CB -0.949 38.198 39.000 0.246 0.000 1.060 701 F HN -0.008 nan 8.300 nan 0.000 0.493 702 V N 1.560 121.658 119.914 0.308 0.000 2.469 702 V HA -0.148 3.974 4.120 0.003 0.000 0.251 702 V C 2.606 178.871 176.094 0.286 0.000 1.064 702 V CA 3.497 65.974 62.300 0.295 0.000 1.066 702 V CB -1.065 30.898 31.823 0.233 0.000 0.667 702 V HN 0.795 nan 8.190 nan 0.000 0.461 703 K N 0.457 120.974 120.400 0.196 0.000 1.971 703 K HA -0.216 4.106 4.320 0.003 0.000 0.221 703 K C 2.282 178.977 176.600 0.158 0.000 1.050 703 K CA 2.158 58.520 56.287 0.125 0.000 0.967 703 K CB -1.124 31.415 32.500 0.065 0.000 0.733 703 K HN 0.609 nan 8.250 nan 0.000 0.445 704 R N -0.758 119.729 120.500 -0.023 0.000 2.316 704 R HA -0.005 4.337 4.340 0.003 0.000 0.202 704 R C -0.192 175.572 176.300 -0.892 0.000 1.029 704 R CA 0.829 56.639 56.100 -0.483 0.000 1.018 704 R CB -0.115 29.751 30.300 -0.723 0.000 0.888 704 R HN 0.704 nan 8.270 nan 0.000 0.471 705 Y N -1.107 119.262 120.300 0.115 0.000 2.624 705 Y HA 0.121 4.673 4.550 0.003 0.000 0.302 705 Y C -0.272 175.675 175.900 0.079 0.000 0.939 705 Y CA -1.126 56.999 58.100 0.041 0.000 1.116 705 Y CB -0.092 38.383 38.460 0.024 0.000 1.173 705 Y HN 0.084 nan 8.280 nan 0.000 0.631 706 Y N -2.908 117.438 120.300 0.078 0.000 2.503 706 Y HA 0.275 4.826 4.550 0.003 0.000 0.277 706 Y C 1.881 177.786 175.900 0.009 0.000 1.102 706 Y CA 0.594 58.728 58.100 0.057 0.000 1.261 706 Y CB -0.472 38.008 38.460 0.034 0.000 1.096 706 Y HN 0.097 nan 8.280 nan 0.000 0.546 707 L N 1.714 122.398 121.223 -0.898 0.000 2.131 707 L HA 0.211 4.553 4.340 0.003 0.000 0.206 707 L C 2.670 179.355 176.870 -0.309 0.000 1.087 707 L CA 1.887 56.313 54.840 -0.689 0.000 0.767 707 L CB -1.827 39.763 42.059 -0.783 0.000 0.917 707 L HN 0.584 nan 8.230 nan 0.000 0.441 708 L N -1.176 119.933 121.223 -0.191 0.000 2.700 708 L HA 0.746 5.087 4.340 0.003 0.000 0.240 708 L C 1.162 177.980 176.870 -0.086 0.000 1.162 708 L CA 1.037 55.830 54.840 -0.079 0.000 0.874 708 L CB -2.133 39.946 42.059 0.033 0.000 1.001 708 L HN 1.303 nan 8.230 nan 0.000 0.447 709 A N -0.326 122.379 122.820 -0.191 0.000 2.375 709 A HA 0.728 5.050 4.320 0.003 0.000 0.295 709 A C -2.784 174.420 177.584 -0.634 0.000 1.066 709 A CA -1.242 50.494 52.037 -0.503 0.000 0.722 709 A CB 0.992 19.909 19.000 -0.139 0.000 1.206 709 A HN 0.067 nan 8.150 nan 0.000 0.435 710 P HA 0.232 nan 4.420 nan 0.000 0.230 710 P C -0.215 176.936 177.300 -0.247 0.000 1.791 710 P CA 0.622 63.502 63.100 -0.367 0.000 1.020 710 P CB -0.122 31.467 31.700 -0.186 0.000 1.977 711 N N -1.696 116.908 118.700 -0.159 0.000 2.496 711 N HA -0.020 4.722 4.740 0.003 0.000 0.317 711 N C -0.693 174.879 175.510 0.103 0.000 0.629 711 N CA -0.111 52.983 53.050 0.074 0.000 0.894 711 N CB 0.201 38.895 38.487 0.345 0.000 2.220 711 N HN -0.149 nan 8.380 nan 0.000 1.447 712 V N 1.764 121.759 119.914 0.135 0.000 2.585 712 V HA 0.501 4.623 4.120 0.003 0.000 0.296 712 V C -1.894 174.354 176.094 0.257 0.000 1.035 712 V CA 0.075 62.486 62.300 0.184 0.000 1.084 712 V CB 0.560 32.519 31.823 0.226 0.000 0.953 712 V HN 0.153 nan 8.190 nan 0.000 0.483 713 P HA 0.702 nan 4.420 nan 0.000 0.294 713 P C -0.001 177.199 177.300 -0.166 0.000 1.323 713 P CA 0.084 63.238 63.100 0.089 0.000 1.015 713 P CB 1.676 33.386 31.700 0.018 0.000 1.392 714 R N -0.091 120.008 120.500 -0.668 0.000 0.843 714 R HA 0.189 4.531 4.340 0.003 0.000 0.055 714 R C 1.319 177.481 176.300 -0.230 0.000 0.422 714 R CA 2.095 57.806 56.100 -0.648 0.000 2.130 714 R CB -2.140 27.730 30.300 -0.717 0.000 0.466 714 R HN 0.855 nan 8.270 nan 0.000 0.800 715 D N 0.073 120.369 120.400 -0.174 0.000 2.359 715 D HA 0.516 5.157 4.640 0.003 0.000 0.273 715 D C 0.287 176.555 176.300 -0.054 0.000 1.362 715 D CA 0.497 54.449 54.000 -0.080 0.000 1.010 715 D CB -0.498 40.265 40.800 -0.062 0.000 1.090 715 D HN 1.053 nan 8.370 nan 0.000 0.521 716 A N 0.937 123.742 122.820 -0.025 0.000 2.373 716 A HA 0.728 5.050 4.320 0.003 0.000 0.291 716 A C 1.270 178.853 177.584 -0.003 0.000 1.171 716 A CA 0.214 52.243 52.037 -0.012 0.000 0.922 716 A CB 0.978 19.977 19.000 -0.001 0.000 1.400 716 A HN 0.600 nan 8.150 nan 0.000 0.474 717 E N -0.830 119.366 120.200 -0.006 0.000 2.079 717 E HA -0.047 4.305 4.350 0.003 0.000 0.191 717 E C -0.237 176.353 176.600 -0.017 0.000 0.961 717 E CA 0.482 56.877 56.400 -0.009 0.000 0.823 717 E CB -0.248 29.444 29.700 -0.013 0.000 0.789 717 E HN 0.526 nan 8.360 nan 0.000 0.459 718 D N 1.505 121.891 120.400 -0.023 0.000 2.403 718 D HA 0.061 4.703 4.640 0.003 0.000 0.260 718 D C 0.915 177.180 176.300 -0.059 0.000 1.243 718 D CA 0.095 54.068 54.000 -0.045 0.000 0.918 718 D CB 0.139 40.914 40.800 -0.042 0.000 0.939 718 D HN 0.100 nan 8.370 nan 0.000 0.507 719 S N 1.088 116.768 115.700 -0.033 0.000 2.402 719 S HA -0.353 4.119 4.470 0.003 0.000 0.281 719 S C 1.817 176.363 174.600 -0.090 0.000 1.097 719 S CA 1.726 59.922 58.200 -0.006 0.000 1.368 719 S CB -0.262 62.989 63.200 0.084 0.000 1.255 719 S HN 0.545 nan 8.310 nan 0.000 0.450 720 Q N 0.655 120.206 119.800 -0.416 0.000 2.325 720 Q HA -0.178 4.164 4.340 0.003 0.000 0.211 720 Q C 2.394 178.184 176.000 -0.350 0.000 0.988 720 Q CA 1.782 57.121 55.803 -0.774 0.000 0.887 720 Q CB -0.539 27.390 28.738 -1.348 0.000 0.915 720 Q HN 0.722 nan 8.270 nan 0.000 0.440 721 K N 1.180 121.439 120.400 -0.235 0.000 2.005 721 K HA 0.158 4.480 4.320 0.003 0.000 0.206 721 K C 2.229 178.797 176.600 -0.053 0.000 1.044 721 K CA 1.031 57.217 56.287 -0.168 0.000 0.942 721 K CB -1.227 31.199 32.500 -0.123 0.000 0.727 721 K HN 0.291 nan 8.250 nan 0.000 0.439 722 A N 1.097 123.921 122.820 0.007 0.000 1.927 722 A HA -0.201 4.120 4.320 0.003 0.000 0.220 722 A C 2.592 180.273 177.584 0.161 0.000 1.185 722 A CA 2.725 54.816 52.037 0.091 0.000 0.639 722 A CB -1.359 17.705 19.000 0.108 0.000 0.820 722 A HN 0.516 nan 8.150 nan 0.000 0.451 723 T N -0.287 114.399 114.554 0.220 0.000 2.684 723 T HA -0.165 4.187 4.350 0.003 0.000 0.267 723 T C 1.710 176.626 174.700 0.359 0.000 1.036 723 T CA 1.470 63.806 62.100 0.394 0.000 1.148 723 T CB -0.458 68.854 68.868 0.739 0.000 0.863 723 T HN 0.504 nan 8.240 nan 0.000 0.436 724 D N 0.774 121.294 120.400 0.199 0.000 2.133 724 D HA -0.132 4.510 4.640 0.003 0.000 0.195 724 D C 2.216 178.540 176.300 0.040 0.000 0.997 724 D CA 1.278 55.313 54.000 0.059 0.000 0.840 724 D CB -0.217 40.493 40.800 -0.150 0.000 0.947 724 D HN 0.392 nan 8.370 nan 0.000 0.452 725 A N 0.701 123.548 122.820 0.046 0.000 1.836 725 A HA -0.233 4.089 4.320 0.003 0.000 0.215 725 A C 2.574 180.195 177.584 0.061 0.000 1.214 725 A CA 2.851 54.891 52.037 0.004 0.000 0.636 725 A CB -1.218 17.884 19.000 0.170 0.000 0.847 725 A HN 0.150 nan 8.150 nan 0.000 0.451 726 V N -0.346 119.725 119.914 0.260 0.000 2.313 726 V HA -0.316 3.806 4.120 0.003 0.000 0.253 726 V C 2.476 178.644 176.094 0.124 0.000 1.070 726 V CA 2.148 64.605 62.300 0.262 0.000 1.057 726 V CB -1.271 30.679 31.823 0.212 0.000 0.653 726 V HN 0.451 nan 8.190 nan 0.000 0.450 727 L N 0.571 121.832 121.223 0.062 0.000 2.042 727 L HA -0.172 4.170 4.340 0.003 0.000 0.210 727 L C 2.809 179.663 176.870 -0.027 0.000 1.076 727 L CA 2.615 57.431 54.840 -0.040 0.000 0.749 727 L CB -1.527 40.436 42.059 -0.160 0.000 0.893 727 L HN 0.533 nan 8.230 nan 0.000 0.432 728 K N -0.966 119.405 120.400 -0.049 0.000 1.984 728 K HA -0.186 4.136 4.320 0.003 0.000 0.209 728 K C 2.096 178.643 176.600 -0.087 0.000 1.046 728 K CA 1.832 58.059 56.287 -0.099 0.000 0.934 728 K CB -1.619 30.761 32.500 -0.200 0.000 0.717 728 K HN 0.543 nan 8.250 nan 0.000 0.438 729 H N 0.323 119.414 119.070 0.035 0.000 2.353 729 H HA 0.027 4.585 4.556 0.004 0.000 0.298 729 H C 2.085 177.431 175.328 0.030 0.000 1.103 729 H CA 1.763 57.831 56.048 0.032 0.000 1.293 729 H CB -0.090 29.691 29.762 0.032 0.000 1.372 729 H HN 0.247 nan 8.280 nan 0.000 0.501 730 L N 0.402 121.711 121.223 0.143 0.000 2.552 730 L HA -0.037 4.305 4.340 0.003 0.000 0.227 730 L C 0.114 177.029 176.870 0.075 0.000 1.146 730 L CA 0.015 54.909 54.840 0.089 0.000 0.858 730 L CB -0.208 41.886 42.059 0.058 0.000 0.969 730 L HN 0.377 nan 8.230 nan 0.000 0.451 731 N N 0.369 119.109 118.700 0.066 0.000 2.666 731 N HA -0.218 4.523 4.740 0.003 0.000 0.274 731 N C 0.013 175.591 175.510 0.114 0.000 1.043 731 N CA 0.851 53.944 53.050 0.072 0.000 0.782 731 N CB -1.512 37.015 38.487 0.066 0.000 0.912 731 N HN 0.311 nan 8.380 nan 0.000 0.556 732 I N -0.321 120.334 120.570 0.142 0.000 2.834 732 I HA 0.359 4.530 4.170 0.003 0.000 0.305 732 I C 0.796 177.209 176.117 0.494 0.000 1.008 732 I CA -0.648 60.828 61.300 0.294 0.000 1.273 732 I CB 0.822 38.995 38.000 0.288 0.000 1.432 732 I HN 0.349 nan 8.210 nan 0.000 0.557 733 D N 3.321 124.006 120.400 0.476 0.000 2.255 733 D HA 0.417 5.059 4.640 0.003 0.000 0.249 733 D C -1.820 174.341 176.300 -0.231 0.000 1.078 733 D CA -1.914 52.205 54.000 0.199 0.000 0.896 733 D CB 1.417 42.273 40.800 0.094 0.000 1.194 733 D HN 0.278 nan 8.370 nan 0.000 0.429 734 P HA -0.177 nan 4.420 nan 0.000 0.223 734 P C 0.066 177.069 177.300 -0.495 0.000 1.140 734 P CA 1.292 64.135 63.100 -0.428 0.000 0.783 734 P CB 0.175 31.823 31.700 -0.086 0.000 0.759 735 E N -0.850 119.146 120.200 -0.341 0.000 2.244 735 E HA 0.009 4.361 4.350 0.003 0.000 0.196 735 E C 2.064 178.608 176.600 -0.094 0.000 0.939 735 E CA 0.285 56.595 56.400 -0.150 0.000 0.884 735 E CB -1.137 28.556 29.700 -0.012 0.000 0.850 735 E HN 0.184 nan 8.360 nan 0.000 0.481 736 Q N -0.042 119.697 119.800 -0.102 0.000 2.368 736 Q HA -0.098 4.244 4.340 0.003 0.000 0.210 736 Q C -0.103 176.117 176.000 0.368 0.000 0.982 736 Q CA 1.092 56.975 55.803 0.133 0.000 0.884 736 Q CB -0.140 28.726 28.738 0.212 0.000 0.933 736 Q HN 0.473 nan 8.270 nan 0.000 0.460 737 Y N -2.917 117.539 120.300 0.260 0.000 2.634 737 Y HA 0.804 5.356 4.550 0.003 0.000 0.340 737 Y C -0.553 175.334 175.900 -0.022 0.000 1.058 737 Y CA -1.759 56.337 58.100 -0.007 0.000 1.081 737 Y CB 1.165 39.512 38.460 -0.188 0.000 1.295 737 Y HN -0.379 nan 8.280 nan 0.000 0.487 738 R N 1.091 121.522 120.500 -0.115 0.000 2.522 738 R HA 0.403 4.744 4.340 0.003 0.000 0.283 738 R C -2.345 173.801 176.300 -0.257 0.000 1.074 738 R CA -2.025 53.958 56.100 -0.195 0.000 0.925 738 R CB 0.872 30.878 30.300 -0.491 0.000 1.205 738 R HN 0.777 nan 8.270 nan 0.000 0.436 739 F N 1.568 121.534 119.950 0.026 0.000 2.434 739 F HA 0.443 4.971 4.527 0.002 0.000 0.358 739 F C 1.300 177.139 175.800 0.066 0.000 1.136 739 F CA 0.201 58.256 58.000 0.092 0.000 1.157 739 F CB 1.643 40.719 39.000 0.127 0.000 1.167 739 F HN 0.573 nan 8.300 nan 0.000 0.539 740 G N 4.786 113.740 108.800 0.256 0.000 2.938 740 G HA2 0.438 4.400 3.960 0.003 0.000 0.308 740 G HA3 0.438 4.400 3.960 0.003 0.000 0.308 740 G C 0.846 175.902 174.900 0.261 0.000 1.422 740 G CA -0.437 44.781 45.100 0.197 0.000 1.071 740 G HN 0.768 nan 8.290 nan 0.000 0.530 741 I N 0.685 121.396 120.570 0.236 0.000 3.768 741 I HA -0.452 3.719 4.170 0.003 0.000 0.160 741 I C 2.349 178.661 176.117 0.324 0.000 0.582 741 I CA 2.443 63.872 61.300 0.217 0.000 1.148 741 I CB -0.452 37.612 38.000 0.108 0.000 0.982 741 I HN 0.472 nan 8.210 nan 0.000 0.257 742 T N -1.073 113.648 114.554 0.279 0.000 3.085 742 T HA 0.163 4.515 4.350 0.003 0.000 0.241 742 T C 0.537 175.222 174.700 -0.024 0.000 0.988 742 T CA 0.255 62.485 62.100 0.217 0.000 1.117 742 T CB 0.415 69.340 68.868 0.094 0.000 0.978 742 T HN 0.154 nan 8.240 nan 0.000 0.454 743 K N 0.725 121.000 120.400 -0.209 0.000 2.221 743 K HA 0.664 4.985 4.320 0.003 0.000 0.243 743 K C -1.280 174.918 176.600 -0.670 0.000 0.968 743 K CA -0.821 55.123 56.287 -0.573 0.000 0.846 743 K CB 2.062 34.221 32.500 -0.569 0.000 1.141 743 K HN 0.020 nan 8.250 nan 0.000 0.434 744 I N 1.953 122.034 120.570 -0.814 0.000 2.307 744 I HA 0.300 4.472 4.170 0.003 0.000 0.289 744 I C -1.397 174.300 176.117 -0.699 0.000 1.021 744 I CA -0.340 60.503 61.300 -0.762 0.000 1.224 744 I CB -0.008 37.493 38.000 -0.832 0.000 1.376 744 I HN 0.368 nan 8.210 nan 0.000 0.470 745 F N 7.572 127.195 119.950 -0.546 0.000 2.467 745 F HA 0.397 4.926 4.527 0.004 0.000 0.362 745 F C -0.329 175.263 175.800 -0.345 0.000 1.090 745 F CA 0.528 58.350 58.000 -0.297 0.000 1.202 745 F CB 0.464 39.311 39.000 -0.255 0.000 1.113 745 F HN 0.266 nan 8.300 nan 0.000 0.541 746 F N 3.175 123.274 119.950 0.248 0.000 2.529 746 F HA 0.511 5.040 4.527 0.003 0.000 0.320 746 F C 0.466 176.366 175.800 0.168 0.000 1.118 746 F CA -1.171 56.951 58.000 0.202 0.000 0.915 746 F CB 1.392 40.420 39.000 0.046 0.000 1.161 746 F HN 0.343 nan 8.300 nan 0.000 0.445 747 R N 1.006 121.688 120.500 0.304 0.000 2.668 747 R HA 0.656 4.998 4.340 0.003 0.000 0.268 747 R C -0.220 176.118 176.300 0.062 0.000 1.232 747 R CA -0.636 55.466 56.100 0.004 0.000 1.166 747 R CB 0.285 30.435 30.300 -0.250 0.000 1.179 747 R HN 0.699 nan 8.270 nan 0.000 0.606 748 A N 0.045 122.869 122.820 0.007 0.000 2.440 748 A HA 0.398 4.720 4.320 0.003 0.000 0.251 748 A C 1.110 178.727 177.584 0.055 0.000 1.089 748 A CA 0.577 52.629 52.037 0.025 0.000 0.779 748 A CB -0.240 18.796 19.000 0.059 0.000 1.022 748 A HN 0.846 nan 8.150 nan 0.000 0.492 749 G N -0.107 108.647 108.800 -0.078 0.000 2.212 749 G HA2 -0.225 3.737 3.960 0.003 0.000 0.266 749 G HA3 -0.225 3.737 3.960 0.003 0.000 0.266 749 G C 1.132 175.982 174.900 -0.082 0.000 0.978 749 G CA 1.567 46.611 45.100 -0.093 0.000 0.632 749 G HN 1.690 nan 8.290 nan 0.000 0.537 750 Q N -0.474 119.286 119.800 -0.066 0.000 2.030 750 Q HA 0.244 4.586 4.340 0.003 0.000 0.204 750 Q C 2.748 178.562 176.000 -0.310 0.000 0.986 750 Q CA 2.243 57.993 55.803 -0.089 0.000 0.843 750 Q CB -0.488 28.300 28.738 0.083 0.000 0.904 750 Q HN 0.940 nan 8.270 nan 0.000 0.420 751 L N 0.161 121.154 121.223 -0.382 0.000 2.131 751 L HA 0.036 4.378 4.340 0.003 0.000 0.210 751 L C 2.783 179.531 176.870 -0.203 0.000 1.092 751 L CA 1.700 56.312 54.840 -0.379 0.000 0.759 751 L CB -0.728 41.209 42.059 -0.203 0.000 0.903 751 L HN 0.552 nan 8.230 nan 0.000 0.435 752 A N -0.923 121.734 122.820 -0.273 0.000 1.828 752 A HA -0.219 4.103 4.320 0.003 0.000 0.215 752 A C 2.405 179.951 177.584 -0.063 0.000 1.203 752 A CA 1.507 53.420 52.037 -0.206 0.000 0.614 752 A CB -0.595 18.036 19.000 -0.616 0.000 0.844 752 A HN 0.255 nan 8.150 nan 0.000 0.445 753 R N -0.041 120.436 120.500 -0.039 0.000 2.136 753 R HA -0.245 4.097 4.340 0.003 0.000 0.242 753 R C 2.247 178.522 176.300 -0.042 0.000 1.131 753 R CA 2.437 58.538 56.100 0.002 0.000 0.937 753 R CB -1.836 28.479 30.300 0.025 0.000 0.863 753 R HN 0.631 nan 8.270 nan 0.000 0.435 754 I N 0.749 121.242 120.570 -0.129 0.000 2.044 754 I HA -0.338 3.834 4.170 0.003 0.000 0.234 754 I C 2.314 178.358 176.117 -0.121 0.000 1.031 754 I CA 2.927 64.110 61.300 -0.194 0.000 1.305 754 I CB -1.643 36.103 38.000 -0.424 0.000 1.026 754 I HN 0.557 nan 8.210 nan 0.000 0.392 755 E N 0.310 120.433 120.200 -0.128 0.000 2.284 755 E HA -0.318 4.033 4.350 0.003 0.000 0.200 755 E C 1.860 178.518 176.600 0.097 0.000 1.008 755 E CA 2.078 58.554 56.400 0.127 0.000 0.829 755 E CB -0.627 29.178 29.700 0.174 0.000 0.744 755 E HN 0.802 nan 8.360 nan 0.000 0.491 756 E N -0.142 120.080 120.200 0.037 0.000 2.485 756 E HA 0.118 4.470 4.350 0.003 0.000 0.194 756 E C -0.138 176.477 176.600 0.026 0.000 1.098 756 E CA 0.050 56.468 56.400 0.030 0.000 0.878 756 E CB 0.257 29.974 29.700 0.027 0.000 0.939 756 E HN 0.415 nan 8.360 nan 0.000 0.503 757 A N 0.461 123.300 122.820 0.032 0.000 2.263 757 A HA 0.785 5.107 4.320 0.003 0.000 0.318 757 A C 0.503 178.098 177.584 0.019 0.000 1.111 757 A CA -0.305 51.748 52.037 0.026 0.000 0.901 757 A CB 0.530 19.547 19.000 0.027 0.000 1.280 757 A HN 0.282 nan 8.150 nan 0.000 0.503 758 R N -0.902 119.602 120.500 0.007 0.000 2.580 758 R HA 0.649 4.990 4.340 0.003 0.000 0.267 758 R C 0.458 176.739 176.300 -0.032 0.000 1.125 758 R CA 0.504 56.597 56.100 -0.010 0.000 1.188 758 R CB -1.077 29.217 30.300 -0.010 0.000 1.155 758 R HN 1.641 nan 8.270 nan 0.000 0.586 759 E N 0.000 120.168 120.200 -0.053 0.000 2.725 759 E HA 0.000 4.352 4.350 0.003 0.000 0.291 759 E CA 0.000 56.344 56.400 -0.093 0.000 0.976 759 E CB 0.000 29.638 29.700 -0.104 0.000 0.812 759 E HN 0.000 nan 8.360 nan 0.000 0.440