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 1kar_1_B DATA FIRST_RESID 4 DATA SEQUENCE NTIIDWNSCT AEQQRQLLXR PAISASESIT RTVNDILDNV KARGDEALRE DATA SEQUENCE YSAKFDKTTV TALKVSAEEI AAASERLSDE LKQAXAVAVK NIETFHTAQK DATA SEQUENCE LPPVDVETQP GVRCQQVTRP VASVGLYIPG GSAPLFSTVL XLATPASIAG DATA SEQUENCE CKKVVLCSPP PIADEILYAA QLCGVQDVFN VGGAQAIAAL AFGTESVPKV DATA SEQUENCE DKIFGPGNAF VTEAKRQVSQ RLDGAAIDXP AGPSEVLVIA DSGATPDFVA DATA SEQUENCE SDLLSQAEHG PDSQVILLTP AADXARRVAE AVERQLAELP RAETARQALN DATA SEQUENCE ASRLIVTKDL AQCVEISNQY GPEHLIIQTR NARELVDSIT SAGSVFLGDW DATA SEQUENCE SPESAGDYAS GTNHVLPTYG YTATCSSLGL ADFQKRXTVQ ELSKEGFSAL DATA SEQUENCE ASTIETLAAA ERLTAHKNAV TLRVNALKEQ A 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.512 175.510 0.003 0.000 1.280 4 N CA 0.000 53.053 53.050 0.005 0.000 0.885 4 N CB 0.000 38.491 38.487 0.007 0.000 1.341 5 T N -1.415 113.141 114.554 0.005 0.000 3.359 5 T HA 0.524 4.874 4.350 0.000 0.000 0.160 5 T C -0.440 174.263 174.700 0.005 0.000 0.924 5 T CA -0.112 61.990 62.100 0.003 0.000 0.951 5 T CB 0.428 69.298 68.868 0.003 0.000 1.404 5 T HN 0.333 nan 8.240 nan 0.000 0.309 6 I N 1.106 121.682 120.570 0.010 0.000 2.913 6 I HA 0.541 4.711 4.170 0.000 0.000 0.302 6 I C -1.389 174.744 176.117 0.027 0.000 1.246 6 I CA -1.249 60.061 61.300 0.016 0.000 1.010 6 I CB 2.250 40.257 38.000 0.013 0.000 1.259 6 I HN 0.520 nan 8.210 nan 0.000 0.434 7 I N 3.025 123.622 120.570 0.045 0.000 2.406 7 I HA 0.244 4.414 4.170 0.000 0.000 0.290 7 I C -0.064 176.111 176.117 0.096 0.000 0.999 7 I CA -0.410 60.930 61.300 0.068 0.000 1.124 7 I CB 1.851 39.910 38.000 0.098 0.000 1.289 7 I HN 0.479 nan 8.210 nan 0.000 0.441 8 D N 6.812 127.259 120.400 0.079 0.000 2.411 8 D HA -0.035 4.605 4.640 0.000 0.000 0.225 8 D C 0.815 177.198 176.300 0.138 0.000 1.156 8 D CA -0.255 53.804 54.000 0.098 0.000 0.874 8 D CB 0.805 41.636 40.800 0.053 0.000 1.034 8 D HN 0.676 nan 8.370 nan 0.000 0.502 9 W N 5.075 126.367 121.300 -0.013 0.000 2.301 9 W HA -0.258 4.402 4.660 0.000 0.000 0.325 9 W C 1.017 177.531 176.519 -0.008 0.000 1.250 9 W CA 0.990 58.328 57.345 -0.012 0.000 1.261 9 W CB -0.029 29.423 29.460 -0.013 0.000 1.157 9 W HN 0.484 nan 8.180 nan 0.000 0.473 10 N N 0.270 119.046 118.700 0.126 0.000 2.609 10 N HA -0.093 4.647 4.740 0.000 0.000 0.190 10 N C 1.440 176.915 175.510 -0.059 0.000 1.157 10 N CA 1.177 54.228 53.050 0.000 0.000 0.918 10 N CB -0.126 38.414 38.487 0.088 0.000 0.978 10 N HN 0.050 nan 8.380 nan 0.000 0.448 11 S N -0.136 115.532 115.700 -0.054 0.000 2.517 11 S HA 0.108 4.578 4.470 0.000 0.000 0.214 11 S C 0.907 175.447 174.600 -0.101 0.000 0.991 11 S CA -0.305 57.862 58.200 -0.056 0.000 0.906 11 S CB 0.466 63.652 63.200 -0.022 0.000 0.789 11 S HN 0.310 nan 8.310 nan 0.000 0.513 12 C N 3.102 122.297 119.300 -0.175 0.000 2.595 12 C HA 0.479 4.939 4.460 0.000 0.000 0.384 12 C C 1.406 176.257 174.990 -0.230 0.000 1.289 12 C CA -0.923 57.963 59.018 -0.219 0.000 2.372 12 C CB 0.410 27.945 27.740 -0.341 0.000 2.593 12 C HN 0.567 nan 8.230 nan 0.000 0.639 13 T N -0.146 114.298 114.554 -0.184 0.000 2.828 13 T HA 0.415 4.765 4.350 0.000 0.000 0.290 13 T C 1.052 175.635 174.700 -0.195 0.000 1.019 13 T CA 0.002 62.010 62.100 -0.153 0.000 1.031 13 T CB 0.949 69.755 68.868 -0.103 0.000 1.001 13 T HN 0.819 nan 8.240 nan 0.000 0.531 14 A N 0.307 123.037 122.820 -0.149 0.000 1.940 14 A HA -0.133 4.187 4.320 0.000 0.000 0.219 14 A C 2.294 179.804 177.584 -0.123 0.000 1.176 14 A CA 2.017 53.971 52.037 -0.139 0.000 0.631 14 A CB -1.104 17.848 19.000 -0.080 0.000 0.814 14 A HN 1.049 nan 8.150 nan 0.000 0.446 15 E N -0.323 119.818 120.200 -0.097 0.000 2.047 15 E HA -0.247 4.103 4.350 0.000 0.000 0.191 15 E C 2.152 178.700 176.600 -0.087 0.000 0.987 15 E CA 1.313 57.670 56.400 -0.072 0.000 0.799 15 E CB -0.203 29.465 29.700 -0.054 0.000 0.752 15 E HN 0.780 nan 8.360 nan 0.000 0.449 16 Q N 0.126 119.855 119.800 -0.119 0.000 2.084 16 Q HA -0.211 4.129 4.340 0.000 0.000 0.202 16 Q C 2.329 178.223 176.000 -0.176 0.000 0.978 16 Q CA 1.609 57.338 55.803 -0.124 0.000 0.844 16 Q CB -0.122 28.534 28.738 -0.137 0.000 0.898 16 Q HN 0.412 nan 8.270 nan 0.000 0.426 17 Q N 0.389 119.993 119.800 -0.327 0.000 2.135 17 Q HA -0.152 4.188 4.340 0.000 0.000 0.204 17 Q C 2.038 177.980 176.000 -0.097 0.000 0.981 17 Q CA 1.110 56.595 55.803 -0.530 0.000 0.856 17 Q CB -0.100 28.165 28.738 -0.788 0.000 0.902 17 Q HN 0.324 nan 8.270 nan 0.000 0.425 18 R N 0.374 120.847 120.500 -0.045 0.000 2.148 18 R HA -0.090 4.250 4.340 0.000 0.000 0.223 18 R C 2.138 178.472 176.300 0.056 0.000 1.088 18 R CA 0.952 57.077 56.100 0.040 0.000 0.985 18 R CB -0.007 30.302 30.300 0.014 0.000 0.880 18 R HN 0.393 nan 8.270 nan 0.000 0.451 19 Q N 0.466 120.281 119.800 0.026 0.000 2.137 19 Q HA -0.029 4.311 4.340 0.000 0.000 0.198 19 Q C 2.150 178.197 176.000 0.078 0.000 0.960 19 Q CA 0.862 56.688 55.803 0.039 0.000 0.847 19 Q CB 0.026 28.772 28.738 0.013 0.000 0.915 19 Q HN 0.308 nan 8.270 nan 0.000 0.448 20 L N 0.519 121.802 121.223 0.101 0.000 2.083 20 L HA -0.111 4.230 4.340 0.000 0.000 0.209 20 L C 1.279 178.266 176.870 0.196 0.000 1.083 20 L CA 0.547 55.481 54.840 0.157 0.000 0.752 20 L CB -0.209 41.999 42.059 0.249 0.000 0.899 20 L HN 0.176 nan 8.230 nan 0.000 0.433 24 P HA 0.260 nan 4.420 nan 0.000 0.270 24 P C -1.089 176.316 177.300 0.175 0.000 1.223 24 P CA -0.466 62.710 63.100 0.127 0.000 0.785 24 P CB 0.516 32.269 31.700 0.088 0.000 0.923 25 A N 1.025 123.913 122.820 0.114 0.000 2.304 25 A HA 0.458 4.778 4.320 0.000 0.000 0.301 25 A C 1.147 178.782 177.584 0.086 0.000 1.132 25 A CA -0.747 51.366 52.037 0.126 0.000 0.819 25 A CB -0.096 18.945 19.000 0.069 0.000 1.094 25 A HN 0.649 nan 8.150 nan 0.000 0.492 26 I N 0.356 120.983 120.570 0.094 0.000 2.623 26 I HA 0.224 4.394 4.170 0.000 0.000 0.214 26 I C 0.959 177.076 176.117 -0.000 0.000 1.055 26 I CA 0.896 62.200 61.300 0.007 0.000 1.386 26 I CB -0.796 37.207 38.000 0.004 0.000 1.217 26 I HN 0.908 nan 8.210 nan 0.000 0.405 27 S N -1.109 114.592 115.700 0.002 0.000 3.893 27 S HA 0.580 5.050 4.470 0.000 0.000 0.270 27 S C 0.049 174.642 174.600 -0.011 0.000 1.141 27 S CA 0.113 58.309 58.200 -0.007 0.000 1.646 27 S CB 0.249 63.435 63.200 -0.024 0.000 1.605 27 S HN 1.437 nan 8.310 nan 0.000 0.297 28 A N 0.479 123.282 122.820 -0.027 0.000 1.608 28 A HA 0.709 5.029 4.320 0.000 0.000 0.188 28 A C 0.816 178.371 177.584 -0.048 0.000 2.043 28 A CA 1.562 53.581 52.037 -0.031 0.000 1.646 28 A CB -0.928 18.063 19.000 -0.015 0.000 1.588 28 A HN 2.557 nan 8.150 nan 0.000 0.277 29 S N 1.290 116.966 115.700 -0.040 0.000 3.305 29 S HA -0.205 4.265 4.470 0.000 0.000 0.392 29 S C 0.860 175.440 174.600 -0.034 0.000 0.833 29 S CA 1.515 59.690 58.200 -0.041 0.000 1.355 29 S CB -1.207 61.951 63.200 -0.070 0.000 1.105 29 S HN 1.222 nan 8.310 nan 0.000 0.614 30 E N 2.537 122.728 120.200 -0.015 0.000 2.219 30 E HA -0.207 4.143 4.350 0.000 0.000 0.198 30 E C 1.945 178.547 176.600 0.004 0.000 0.998 30 E CA 1.641 58.038 56.400 -0.005 0.000 0.818 30 E CB -0.598 29.103 29.700 0.003 0.000 0.741 30 E HN 0.988 nan 8.360 nan 0.000 0.477 31 S N 1.471 117.175 115.700 0.007 0.000 2.355 31 S HA -0.176 4.294 4.470 0.000 0.000 0.222 31 S C 2.185 176.810 174.600 0.043 0.000 1.031 31 S CA 0.941 59.160 58.200 0.031 0.000 0.993 31 S CB -0.563 62.661 63.200 0.039 0.000 0.859 31 S HN 0.457 nan 8.310 nan 0.000 0.453 32 I N 1.452 122.012 120.570 -0.018 0.000 2.439 32 I HA -0.136 4.035 4.170 0.000 0.000 0.251 32 I C 2.127 178.219 176.117 -0.041 0.000 1.139 32 I CA 1.450 62.701 61.300 -0.081 0.000 1.438 32 I CB -0.503 37.261 38.000 -0.392 0.000 1.085 32 I HN 0.300 nan 8.210 nan 0.000 0.427 33 T N 0.724 115.254 114.554 -0.039 0.000 2.777 33 T HA -0.205 4.145 4.350 0.000 0.000 0.266 33 T C 1.957 176.672 174.700 0.025 0.000 1.040 33 T CA 1.540 63.630 62.100 -0.016 0.000 1.141 33 T CB -0.248 68.609 68.868 -0.017 0.000 0.868 33 T HN 0.368 nan 8.240 nan 0.000 0.444 34 R N 0.345 120.866 120.500 0.036 0.000 2.075 34 R HA -0.088 4.252 4.340 0.000 0.000 0.232 34 R C 2.513 178.861 176.300 0.081 0.000 1.126 34 R CA 1.612 57.743 56.100 0.051 0.000 0.963 34 R CB -0.470 29.858 30.300 0.047 0.000 0.858 34 R HN 0.256 nan 8.270 nan 0.000 0.435 35 T N 0.318 114.941 114.554 0.115 0.000 2.652 35 T HA -0.137 4.213 4.350 0.000 0.000 0.267 35 T C 1.795 176.586 174.700 0.153 0.000 1.039 35 T CA 1.684 63.883 62.100 0.164 0.000 1.153 35 T CB -0.229 68.806 68.868 0.279 0.000 0.863 35 T HN 0.039 nan 8.240 nan 0.000 0.428 36 V N 2.303 122.312 119.914 0.160 0.000 2.392 36 V HA -0.209 3.912 4.120 0.000 0.000 0.249 36 V C 2.400 178.543 176.094 0.082 0.000 1.059 36 V CA 1.989 64.361 62.300 0.120 0.000 1.051 36 V CB -0.848 31.029 31.823 0.091 0.000 0.658 36 V HN 0.525 nan 8.190 nan 0.000 0.455 37 N N 0.601 119.345 118.700 0.073 0.000 2.084 37 N HA -0.196 4.544 4.740 0.000 0.000 0.190 37 N C 1.485 177.039 175.510 0.072 0.000 1.030 37 N CA 1.905 54.994 53.050 0.066 0.000 0.849 37 N CB -0.229 38.288 38.487 0.049 0.000 1.012 37 N HN 0.441 nan 8.380 nan 0.000 0.423 38 D N -0.016 120.433 120.400 0.082 0.000 2.178 38 D HA -0.075 4.565 4.640 0.000 0.000 0.202 38 D C 1.968 178.343 176.300 0.125 0.000 0.974 38 D CA 0.665 54.721 54.000 0.093 0.000 0.841 38 D CB -0.126 40.736 40.800 0.103 0.000 0.953 38 D HN 0.449 nan 8.370 nan 0.000 0.478 39 I N 0.253 120.892 120.570 0.115 0.000 2.142 39 I HA -0.253 3.917 4.170 0.000 0.000 0.240 39 I C 2.112 178.294 176.117 0.108 0.000 1.078 39 I CA 0.586 61.936 61.300 0.083 0.000 1.343 39 I CB -0.147 37.795 38.000 -0.097 0.000 1.046 39 I HN -0.027 nan 8.210 nan 0.000 0.405 40 L N 0.603 121.899 121.223 0.122 0.000 1.989 40 L HA -0.276 4.065 4.340 0.000 0.000 0.211 40 L C 2.192 179.133 176.870 0.118 0.000 1.071 40 L CA 1.940 56.929 54.840 0.249 0.000 0.749 40 L CB -1.030 41.217 42.059 0.313 0.000 0.890 40 L HN 0.236 nan 8.230 nan 0.000 0.431 41 D N -0.965 119.450 120.400 0.026 0.000 2.123 41 D HA -0.228 4.412 4.640 0.000 0.000 0.196 41 D C 1.981 178.255 176.300 -0.043 0.000 0.992 41 D CA 1.340 55.295 54.000 -0.076 0.000 0.833 41 D CB -0.365 40.413 40.800 -0.037 0.000 0.954 41 D HN 0.478 nan 8.370 nan 0.000 0.455 42 N N 0.313 119.043 118.700 0.050 0.000 2.166 42 N HA -0.131 4.609 4.740 0.000 0.000 0.186 42 N C 1.784 177.344 175.510 0.084 0.000 1.019 42 N CA 0.727 53.823 53.050 0.077 0.000 0.856 42 N CB 0.255 38.841 38.487 0.165 0.000 0.993 42 N HN -0.058 nan 8.380 nan 0.000 0.426 43 V N 1.302 121.293 119.914 0.129 0.000 2.453 43 V HA -0.167 3.953 4.120 0.000 0.000 0.247 43 V C 2.391 178.522 176.094 0.062 0.000 1.048 43 V CA 1.455 63.839 62.300 0.140 0.000 1.049 43 V CB -0.496 31.446 31.823 0.198 0.000 0.672 43 V HN 0.347 nan 8.190 nan 0.000 0.457 44 K N 0.526 120.878 120.400 -0.080 0.000 2.057 44 K HA -0.120 4.200 4.320 0.000 0.000 0.206 44 K C 2.145 178.660 176.600 -0.141 0.000 1.050 44 K CA 1.499 57.637 56.287 -0.248 0.000 0.935 44 K CB -0.259 31.763 32.500 -0.796 0.000 0.715 44 K HN 0.407 nan 8.250 nan 0.000 0.439 45 A N 1.100 123.850 122.820 -0.116 0.000 1.929 45 A HA -0.040 4.280 4.320 0.000 0.000 0.216 45 A C 1.577 179.140 177.584 -0.035 0.000 1.176 45 A CA 1.062 53.056 52.037 -0.073 0.000 0.628 45 A CB -0.092 18.869 19.000 -0.063 0.000 0.816 45 A HN 0.320 nan 8.150 nan 0.000 0.444 46 R N -1.248 119.243 120.500 -0.015 0.000 2.596 46 R HA 0.318 4.658 4.340 0.000 0.000 0.369 46 R C 1.220 177.528 176.300 0.012 0.000 1.042 46 R CA 0.232 56.330 56.100 -0.004 0.000 1.120 46 R CB 0.293 30.587 30.300 -0.010 0.000 1.353 46 R HN 0.527 nan 8.270 nan 0.000 0.564 47 G N 2.169 110.983 108.800 0.023 0.000 2.629 47 G HA2 -0.420 3.540 3.960 0.000 0.000 0.335 47 G HA3 -0.420 3.540 3.960 0.000 0.000 0.335 47 G C 0.489 175.415 174.900 0.044 0.000 1.347 47 G CA 0.937 46.058 45.100 0.035 0.000 0.979 47 G HN 0.287 nan 8.290 nan 0.000 0.534 48 D N 0.291 120.712 120.400 0.036 0.000 2.133 48 D HA -0.082 4.558 4.640 0.000 0.000 0.195 48 D C 2.154 178.477 176.300 0.039 0.000 0.997 48 D CA 1.567 55.593 54.000 0.043 0.000 0.840 48 D CB -0.416 40.410 40.800 0.042 0.000 0.947 48 D HN 0.713 nan 8.370 nan 0.000 0.452 49 E N 0.567 120.781 120.200 0.023 0.000 2.085 49 E HA -0.201 4.149 4.350 0.000 0.000 0.194 49 E C 1.935 178.529 176.600 -0.010 0.000 0.994 49 E CA 1.257 57.660 56.400 0.006 0.000 0.801 49 E CB -0.010 29.688 29.700 -0.003 0.000 0.743 49 E HN 0.199 nan 8.360 nan 0.000 0.453 50 A N 0.777 123.597 122.820 -0.000 0.000 1.969 50 A HA -0.081 4.239 4.320 0.000 0.000 0.218 50 A C 2.171 179.778 177.584 0.038 0.000 1.169 50 A CA 0.860 52.882 52.037 -0.026 0.000 0.635 50 A CB -0.431 18.594 19.000 0.041 0.000 0.810 50 A HN 0.308 nan 8.150 nan 0.000 0.445 51 L N -1.150 120.144 121.223 0.118 0.000 2.109 51 L HA -0.109 4.231 4.340 0.000 0.000 0.207 51 L C 2.720 179.670 176.870 0.133 0.000 1.086 51 L CA 1.028 55.978 54.840 0.184 0.000 0.760 51 L CB -0.450 41.679 42.059 0.117 0.000 0.910 51 L HN 0.338 nan 8.230 nan 0.000 0.437 52 R N 0.099 120.640 120.500 0.068 0.000 2.189 52 R HA -0.108 4.232 4.340 0.000 0.000 0.218 52 R C 1.964 178.284 176.300 0.034 0.000 1.074 52 R CA 0.815 56.947 56.100 0.055 0.000 0.991 52 R CB -0.112 30.211 30.300 0.038 0.000 0.883 52 R HN 0.506 nan 8.270 nan 0.000 0.457 53 E N -0.233 119.946 120.200 -0.035 0.000 2.107 53 E HA -0.159 4.191 4.350 0.000 0.000 0.191 53 E C 1.471 178.040 176.600 -0.053 0.000 0.982 53 E CA 1.081 57.420 56.400 -0.102 0.000 0.809 53 E CB -0.033 29.518 29.700 -0.248 0.000 0.756 53 E HN 0.448 nan 8.360 nan 0.000 0.459 54 Y N 0.512 120.855 120.300 0.071 0.000 2.184 54 Y HA -0.182 4.368 4.550 0.000 0.000 0.290 54 Y C 2.959 178.942 175.900 0.139 0.000 1.129 54 Y CA 1.009 59.166 58.100 0.096 0.000 1.144 54 Y CB -0.177 38.232 38.460 -0.084 0.000 0.995 54 Y HN -0.004 nan 8.280 nan 0.000 0.513 55 S N 0.147 115.976 115.700 0.216 0.000 2.383 55 S HA -0.270 4.200 4.470 0.000 0.000 0.229 55 S C 2.218 176.928 174.600 0.183 0.000 1.030 55 S CA 1.179 59.475 58.200 0.161 0.000 1.002 55 S CB -0.551 62.713 63.200 0.107 0.000 0.829 55 S HN 0.459 nan 8.310 nan 0.000 0.467 56 A N 0.983 123.892 122.820 0.148 0.000 1.933 56 A HA -0.105 4.215 4.320 0.000 0.000 0.218 56 A C 2.166 179.825 177.584 0.124 0.000 1.175 56 A CA 1.870 53.971 52.037 0.108 0.000 0.628 56 A CB -0.576 18.461 19.000 0.061 0.000 0.814 56 A HN 0.641 nan 8.150 nan 0.000 0.444 57 K N -2.081 118.433 120.400 0.191 0.000 2.211 57 K HA 0.049 4.369 4.320 0.000 0.000 0.201 57 K C 1.250 177.904 176.600 0.089 0.000 1.052 57 K CA 0.737 57.100 56.287 0.126 0.000 0.973 57 K CB -0.112 32.454 32.500 0.111 0.000 0.766 57 K HN 0.373 nan 8.250 nan 0.000 0.466 58 F N 1.226 121.207 119.950 0.050 0.000 2.473 58 F HA 0.125 4.652 4.527 0.000 0.000 0.294 58 F C 0.630 176.448 175.800 0.031 0.000 1.103 58 F CA 0.290 58.311 58.000 0.035 0.000 1.442 58 F CB 0.257 39.278 39.000 0.034 0.000 1.097 58 F HN -0.113 nan 8.300 nan 0.000 0.547 59 D N -0.855 119.673 120.400 0.214 0.000 2.423 59 D HA 0.229 4.869 4.640 0.000 0.000 0.235 59 D C 0.523 176.874 176.300 0.084 0.000 1.011 59 D CA -0.408 53.669 54.000 0.129 0.000 0.963 59 D CB 1.792 42.663 40.800 0.119 0.000 1.349 59 D HN -0.034 nan 8.370 nan 0.000 0.508 60 K N -0.660 119.777 120.400 0.061 0.000 2.361 60 K HA 0.080 4.400 4.320 0.000 0.000 0.196 60 K C 0.254 176.880 176.600 0.042 0.000 1.039 60 K CA 0.715 57.028 56.287 0.044 0.000 1.001 60 K CB 0.419 32.939 32.500 0.034 0.000 0.795 60 K HN 0.169 nan 8.250 nan 0.000 0.495 61 T N 1.979 116.563 114.554 0.049 0.000 3.155 61 T HA 0.130 4.480 4.350 0.000 0.000 0.384 61 T C -0.628 174.103 174.700 0.053 0.000 1.351 61 T CA -0.491 61.636 62.100 0.044 0.000 1.198 61 T CB 1.149 70.040 68.868 0.038 0.000 1.106 61 T HN -0.035 nan 8.240 nan 0.000 0.564 62 T N 2.854 117.439 114.554 0.053 0.000 2.891 62 T HA 0.044 4.394 4.350 0.000 0.000 0.296 62 T C 0.927 175.659 174.700 0.054 0.000 1.025 62 T CA 0.023 62.159 62.100 0.059 0.000 1.149 62 T CB 0.459 69.357 68.868 0.050 0.000 1.007 62 T HN 0.443 nan 8.240 nan 0.000 0.528 63 V N 4.752 124.703 119.914 0.062 0.000 2.872 63 V HA 0.178 4.298 4.120 0.000 0.000 0.307 63 V C 1.266 177.392 176.094 0.053 0.000 1.072 63 V CA 1.335 63.670 62.300 0.059 0.000 1.148 63 V CB 1.011 32.876 31.823 0.070 0.000 0.954 63 V HN 1.202 nan 8.190 nan 0.000 0.490 64 T N 3.816 118.399 114.554 0.048 0.000 3.571 64 T HA 0.458 4.808 4.350 0.000 0.000 0.217 64 T C 0.760 175.490 174.700 0.051 0.000 0.925 64 T CA 0.364 62.490 62.100 0.043 0.000 1.376 64 T CB -0.318 68.570 68.868 0.034 0.000 1.375 64 T HN 1.322 nan 8.240 nan 0.000 0.404 65 A N 1.664 124.512 122.820 0.047 0.000 2.404 65 A HA 0.626 4.946 4.320 0.000 0.000 0.273 65 A C 1.206 178.835 177.584 0.075 0.000 1.144 65 A CA -0.499 51.570 52.037 0.054 0.000 0.806 65 A CB -0.347 18.674 19.000 0.035 0.000 1.080 65 A HN 0.641 nan 8.150 nan 0.000 0.509 66 L N 1.794 123.087 121.223 0.118 0.000 2.109 66 L HA 0.007 4.347 4.340 0.000 0.000 0.207 66 L C 1.572 178.565 176.870 0.204 0.000 1.086 66 L CA 0.981 55.933 54.840 0.187 0.000 0.760 66 L CB -0.155 42.047 42.059 0.239 0.000 0.910 66 L HN 0.740 nan 8.230 nan 0.000 0.437 67 K N 1.143 121.613 120.400 0.116 0.000 2.276 67 K HA 0.234 4.554 4.320 0.000 0.000 0.285 67 K C -0.556 175.956 176.600 -0.148 0.000 1.062 67 K CA -0.397 55.789 56.287 -0.169 0.000 0.918 67 K CB 1.207 33.599 32.500 -0.180 0.000 1.055 67 K HN -0.227 nan 8.250 nan 0.000 0.477 68 V N 4.385 124.177 119.914 -0.203 0.000 2.599 68 V HA -0.053 4.067 4.120 0.000 0.000 0.300 68 V C 0.563 176.588 176.094 -0.115 0.000 1.034 68 V CA -0.046 62.183 62.300 -0.118 0.000 1.115 68 V CB 0.847 32.604 31.823 -0.110 0.000 0.934 68 V HN 0.992 nan 8.190 nan 0.000 0.485 69 S N 4.552 120.212 115.700 -0.067 0.000 2.593 69 S HA 0.419 4.889 4.470 0.000 0.000 0.269 69 S C 1.255 175.823 174.600 -0.053 0.000 1.334 69 S CA -0.061 58.106 58.200 -0.054 0.000 1.015 69 S CB 1.487 64.669 63.200 -0.031 0.000 0.912 69 S HN 1.042 nan 8.310 nan 0.000 0.541 70 A N 0.654 123.445 122.820 -0.047 0.000 2.067 70 A HA -0.049 4.271 4.320 0.000 0.000 0.219 70 A C 2.102 179.670 177.584 -0.027 0.000 1.158 70 A CA 1.376 53.389 52.037 -0.041 0.000 0.661 70 A CB -0.908 18.071 19.000 -0.036 0.000 0.801 70 A HN 1.011 nan 8.150 nan 0.000 0.452 71 E N 0.335 120.522 120.200 -0.022 0.000 2.028 71 E HA -0.221 4.129 4.350 0.000 0.000 0.191 71 E C 1.760 178.353 176.600 -0.012 0.000 0.988 71 E CA 1.371 57.762 56.400 -0.014 0.000 0.799 71 E CB -0.203 29.490 29.700 -0.012 0.000 0.755 71 E HN 0.738 nan 8.360 nan 0.000 0.447 72 E N 0.469 120.660 120.200 -0.015 0.000 2.153 72 E HA -0.171 4.179 4.350 0.000 0.000 0.194 72 E C 2.243 178.838 176.600 -0.009 0.000 0.988 72 E CA 1.109 57.502 56.400 -0.012 0.000 0.811 72 E CB -0.113 29.578 29.700 -0.015 0.000 0.746 72 E HN 0.407 nan 8.360 nan 0.000 0.466 73 I N 1.059 121.619 120.570 -0.016 0.000 2.315 73 I HA -0.243 3.927 4.170 0.000 0.000 0.248 73 I C 2.502 178.626 176.117 0.011 0.000 1.117 73 I CA 0.856 62.151 61.300 -0.010 0.000 1.404 73 I CB -0.253 37.729 38.000 -0.031 0.000 1.071 73 I HN 0.091 nan 8.210 nan 0.000 0.419 74 A N 0.633 123.456 122.820 0.005 0.000 1.969 74 A HA -0.060 4.260 4.320 0.000 0.000 0.218 74 A C 2.523 180.116 177.584 0.016 0.000 1.169 74 A CA 1.560 53.606 52.037 0.015 0.000 0.635 74 A CB -0.608 18.395 19.000 0.004 0.000 0.810 74 A HN 0.412 nan 8.150 nan 0.000 0.445 75 A N 0.059 122.882 122.820 0.006 0.000 1.873 75 A HA 0.197 4.517 4.320 0.000 0.000 0.215 75 A C 2.515 180.098 177.584 -0.000 0.000 1.186 75 A CA 1.953 53.990 52.037 0.000 0.000 0.616 75 A CB -1.102 17.896 19.000 -0.003 0.000 0.823 75 A HN 1.047 nan 8.150 nan 0.000 0.442 76 A N -0.803 122.020 122.820 0.006 0.000 1.940 76 A HA -0.134 4.186 4.320 0.000 0.000 0.219 76 A C 2.466 180.052 177.584 0.003 0.000 1.176 76 A CA 2.242 54.281 52.037 0.004 0.000 0.631 76 A CB -0.916 18.093 19.000 0.015 0.000 0.814 76 A HN 0.552 nan 8.150 nan 0.000 0.446 77 S N -0.926 114.802 115.700 0.048 0.000 2.368 77 S HA -0.174 4.296 4.470 0.000 0.000 0.224 77 S C 2.077 176.653 174.600 -0.039 0.000 1.029 77 S CA 1.497 59.743 58.200 0.075 0.000 0.988 77 S CB -0.338 62.982 63.200 0.201 0.000 0.838 77 S HN 0.604 nan 8.310 nan 0.000 0.462 78 E N 1.102 121.289 120.200 -0.021 0.000 2.150 78 E HA -0.083 4.268 4.350 0.000 0.000 0.193 78 E C 2.035 178.598 176.600 -0.061 0.000 0.985 78 E CA 0.749 57.127 56.400 -0.038 0.000 0.814 78 E CB -0.131 29.557 29.700 -0.019 0.000 0.752 78 E HN 0.509 nan 8.360 nan 0.000 0.466 79 R N -0.181 120.282 120.500 -0.061 0.000 2.235 79 R HA 0.102 4.442 4.340 0.000 0.000 0.213 79 R C 0.803 177.044 176.300 -0.099 0.000 1.059 79 R CA 0.098 56.158 56.100 -0.066 0.000 0.997 79 R CB 0.062 30.333 30.300 -0.048 0.000 0.884 79 R HN 0.122 nan 8.270 nan 0.000 0.462 80 L N 1.438 122.569 121.223 -0.154 0.000 2.375 80 L HA 0.124 4.464 4.340 0.000 0.000 0.271 80 L C 0.796 177.549 176.870 -0.195 0.000 1.107 80 L CA -0.495 54.218 54.840 -0.212 0.000 0.806 80 L CB 1.307 43.148 42.059 -0.363 0.000 1.146 80 L HN 0.083 nan 8.230 nan 0.000 0.447 81 S N -0.250 115.349 115.700 -0.168 0.000 2.585 81 S HA 0.049 4.519 4.470 0.000 0.000 0.273 81 S C 0.486 174.996 174.600 -0.150 0.000 1.339 81 S CA -0.707 57.415 58.200 -0.130 0.000 1.028 81 S CB 1.136 64.279 63.200 -0.096 0.000 0.906 81 S HN 0.577 nan 8.310 nan 0.000 0.528 82 D N 0.820 121.155 120.400 -0.108 0.000 2.219 82 D HA -0.083 4.557 4.640 0.000 0.000 0.205 82 D C 1.720 177.971 176.300 -0.081 0.000 0.970 82 D CA 1.277 55.221 54.000 -0.094 0.000 0.851 82 D CB -0.251 40.513 40.800 -0.060 0.000 0.943 82 D HN 0.875 nan 8.370 nan 0.000 0.488 83 E N 0.078 120.235 120.200 -0.072 0.000 2.031 83 E HA -0.182 4.168 4.350 0.000 0.000 0.193 83 E C 2.060 178.622 176.600 -0.062 0.000 0.994 83 E CA 0.601 56.968 56.400 -0.054 0.000 0.800 83 E CB -0.080 29.592 29.700 -0.046 0.000 0.752 83 E HN 0.106 nan 8.360 nan 0.000 0.447 84 L N 1.575 122.742 121.223 -0.093 0.000 2.017 84 L HA -0.175 4.165 4.340 0.000 0.000 0.208 84 L C 2.077 178.872 176.870 -0.125 0.000 1.073 84 L CA 1.933 56.708 54.840 -0.109 0.000 0.745 84 L CB -0.386 41.572 42.059 -0.168 0.000 0.894 84 L HN 0.005 nan 8.230 nan 0.000 0.432 85 K N -0.871 119.407 120.400 -0.203 0.000 2.057 85 K HA -0.207 4.113 4.320 0.000 0.000 0.207 85 K C 2.097 178.693 176.600 -0.007 0.000 1.049 85 K CA 1.926 58.095 56.287 -0.197 0.000 0.931 85 K CB -0.205 32.098 32.500 -0.329 0.000 0.714 85 K HN 0.538 nan 8.250 nan 0.000 0.440 86 Q N 0.474 120.262 119.800 -0.020 0.000 2.079 86 Q HA -0.040 4.300 4.340 0.000 0.000 0.200 86 Q C 1.015 177.035 176.000 0.034 0.000 0.974 86 Q CA 0.755 56.567 55.803 0.015 0.000 0.840 86 Q CB -0.164 28.573 28.738 -0.002 0.000 0.898 86 Q HN 0.268 nan 8.270 nan 0.000 0.430 90 V N 1.277 121.232 119.914 0.068 0.000 2.307 90 V HA -0.140 3.980 4.120 0.000 0.000 0.245 90 V C 3.022 179.161 176.094 0.075 0.000 1.045 90 V CA 2.625 64.961 62.300 0.061 0.000 1.024 90 V CB -1.184 30.672 31.823 0.055 0.000 0.651 90 V HN 0.716 nan 8.190 nan 0.000 0.449 91 A N 0.035 122.914 122.820 0.099 0.000 1.851 91 A HA -0.196 4.124 4.320 0.000 0.000 0.216 91 A C 2.410 180.048 177.584 0.091 0.000 1.195 91 A CA 2.343 54.450 52.037 0.116 0.000 0.622 91 A CB -0.925 18.175 19.000 0.166 0.000 0.831 91 A HN 0.314 nan 8.150 nan 0.000 0.444 92 V N 0.481 120.443 119.914 0.079 0.000 2.324 92 V HA -0.325 3.795 4.120 0.000 0.000 0.250 92 V C 2.589 178.709 176.094 0.043 0.000 1.060 92 V CA 2.557 64.885 62.300 0.046 0.000 1.042 92 V CB -0.731 31.108 31.823 0.026 0.000 0.650 92 V HN 0.713 nan 8.190 nan 0.000 0.450 93 K N 0.039 120.467 120.400 0.047 0.000 2.057 93 K HA -0.216 4.104 4.320 0.000 0.000 0.207 93 K C 2.001 178.637 176.600 0.060 0.000 1.049 93 K CA 1.859 58.172 56.287 0.043 0.000 0.931 93 K CB -0.163 32.360 32.500 0.038 0.000 0.714 93 K HN 0.463 nan 8.250 nan 0.000 0.440 94 N N 0.896 119.638 118.700 0.069 0.000 2.216 94 N HA -0.083 4.657 4.740 0.000 0.000 0.183 94 N C 1.904 177.490 175.510 0.127 0.000 1.017 94 N CA 1.066 54.165 53.050 0.081 0.000 0.861 94 N CB -0.134 38.390 38.487 0.062 0.000 0.986 94 N HN 0.258 nan 8.380 nan 0.000 0.428 95 I N 1.360 122.009 120.570 0.132 0.000 2.226 95 I HA -0.233 3.937 4.170 0.000 0.000 0.245 95 I C 2.473 178.745 176.117 0.258 0.000 1.100 95 I CA 1.097 62.526 61.300 0.215 0.000 1.374 95 I CB -0.220 37.848 38.000 0.114 0.000 1.057 95 I HN 0.219 nan 8.210 nan 0.000 0.413 96 E N 0.775 121.048 120.200 0.122 0.000 2.051 96 E HA -0.220 4.130 4.350 0.000 0.000 0.192 96 E C 2.067 178.728 176.600 0.101 0.000 0.991 96 E CA 1.978 58.426 56.400 0.080 0.000 0.799 96 E CB 0.040 29.754 29.700 0.024 0.000 0.748 96 E HN 0.369 nan 8.360 nan 0.000 0.449 97 T N 0.582 115.199 114.554 0.105 0.000 2.720 97 T HA -0.170 4.180 4.350 0.000 0.000 0.268 97 T C 1.361 176.137 174.700 0.126 0.000 1.037 97 T CA 1.346 63.502 62.100 0.094 0.000 1.144 97 T CB -0.440 68.481 68.868 0.089 0.000 0.864 97 T HN 0.235 nan 8.240 nan 0.000 0.444 98 F N 1.681 121.625 119.950 -0.008 0.000 2.113 98 F HA -0.112 4.415 4.527 0.000 0.000 0.297 98 F C 2.459 178.168 175.800 -0.152 0.000 1.103 98 F CA 1.305 59.251 58.000 -0.089 0.000 1.248 98 F CB -0.537 38.382 39.000 -0.136 0.000 0.999 98 F HN 0.297 nan 8.300 nan 0.000 0.475 99 H N -1.219 117.772 119.070 -0.132 0.000 2.423 99 H HA -0.077 4.479 4.556 0.000 0.000 0.297 99 H C 2.136 177.347 175.328 -0.196 0.000 1.075 99 H CA 1.718 57.622 56.048 -0.239 0.000 1.342 99 H CB -0.554 29.130 29.762 -0.130 0.000 1.395 99 H HN 0.246 nan 8.280 nan 0.000 0.530 100 T N 0.861 115.400 114.554 -0.024 0.000 2.788 100 T HA -0.071 4.279 4.350 0.000 0.000 0.268 100 T C 2.172 176.823 174.700 -0.082 0.000 1.044 100 T CA 0.969 63.044 62.100 -0.041 0.000 1.139 100 T CB -0.276 68.582 68.868 -0.017 0.000 0.867 100 T HN 0.419 nan 8.240 nan 0.000 0.454 101 A N 0.955 123.701 122.820 -0.123 0.000 2.216 101 A HA -0.047 4.273 4.320 0.000 0.000 0.214 101 A C 1.985 179.456 177.584 -0.188 0.000 1.160 101 A CA 0.879 52.835 52.037 -0.134 0.000 0.725 101 A CB -0.433 18.496 19.000 -0.118 0.000 0.784 101 A HN 0.552 nan 8.150 nan 0.000 0.472 102 Q N -0.225 119.432 119.800 -0.240 0.000 2.360 102 Q HA 0.079 4.419 4.340 0.000 0.000 0.202 102 Q C -0.213 175.720 176.000 -0.110 0.000 0.915 102 Q CA -0.031 55.641 55.803 -0.218 0.000 0.943 102 Q CB 0.159 28.725 28.738 -0.286 0.000 1.064 102 Q HN 0.499 nan 8.270 nan 0.000 0.511 103 K N 1.564 121.915 120.400 -0.082 0.000 2.472 103 K HA 0.042 4.362 4.320 0.000 0.000 0.280 103 K C -0.374 176.203 176.600 -0.039 0.000 1.028 103 K CA 0.148 56.407 56.287 -0.047 0.000 1.045 103 K CB 0.458 32.936 32.500 -0.037 0.000 0.902 103 K HN 0.148 nan 8.250 nan 0.000 0.478 104 L N 5.752 126.960 121.223 -0.026 0.000 2.410 104 L HA 0.135 4.475 4.340 0.000 0.000 0.273 104 L C -1.707 175.154 176.870 -0.015 0.000 1.152 104 L CA -1.859 52.969 54.840 -0.020 0.000 0.855 104 L CB -0.019 42.033 42.059 -0.010 0.000 1.129 104 L HN 0.403 nan 8.230 nan 0.000 0.463 105 P HA 0.199 nan 4.420 nan 0.000 0.274 105 P C -2.369 174.927 177.300 -0.007 0.000 1.237 105 P CA -0.985 62.109 63.100 -0.011 0.000 0.793 105 P CB -0.137 31.557 31.700 -0.011 0.000 0.977 106 P HA 0.010 nan 4.420 nan 0.000 0.265 106 P C -0.988 176.312 177.300 -0.001 0.000 1.193 106 P CA 0.286 63.385 63.100 -0.002 0.000 0.765 106 P CB 0.406 32.105 31.700 -0.001 0.000 0.823 107 V N 3.990 123.904 119.914 0.000 0.000 2.293 107 V HA 0.277 4.397 4.120 0.000 0.000 0.275 107 V C -0.067 176.029 176.094 0.003 0.000 1.021 107 V CA 0.074 62.374 62.300 0.001 0.000 0.815 107 V CB 0.852 32.676 31.823 0.002 0.000 1.025 107 V HN 0.592 nan 8.190 nan 0.000 0.448 108 D N 3.786 124.187 120.400 0.003 0.000 2.478 108 D HA 0.513 5.153 4.640 0.000 0.000 0.240 108 D C -1.468 174.834 176.300 0.004 0.000 1.364 108 D CA -0.015 53.988 54.000 0.004 0.000 0.987 108 D CB 2.142 42.944 40.800 0.004 0.000 1.328 108 D HN 0.358 nan 8.370 nan 0.000 0.584 109 V N 2.720 122.637 119.914 0.005 0.000 3.049 109 V HA 0.479 4.599 4.120 0.000 0.000 0.309 109 V C -1.246 174.852 176.094 0.007 0.000 1.148 109 V CA -0.624 61.679 62.300 0.005 0.000 0.990 109 V CB 2.346 34.172 31.823 0.004 0.000 1.039 109 V HN 0.382 nan 8.190 nan 0.000 0.430 110 E N 3.098 123.302 120.200 0.007 0.000 2.035 110 E HA 0.187 4.537 4.350 0.000 0.000 0.271 110 E C 0.929 177.533 176.600 0.006 0.000 0.953 110 E CA 0.351 56.756 56.400 0.008 0.000 0.777 110 E CB 1.508 31.213 29.700 0.008 0.000 1.104 110 E HN 0.951 nan 8.360 nan 0.000 0.408 111 T N 0.758 115.316 114.554 0.007 0.000 2.778 111 T HA -0.264 4.086 4.350 0.000 0.000 0.269 111 T C 0.767 175.468 174.700 0.002 0.000 1.050 111 T CA 1.193 63.296 62.100 0.004 0.000 1.137 111 T CB -0.125 68.746 68.868 0.005 0.000 0.860 111 T HN 0.593 nan 8.240 nan 0.000 0.468 112 Q N -0.657 119.145 119.800 0.004 0.000 2.578 112 Q HA 0.472 4.812 4.340 0.000 0.000 0.284 112 Q C -3.528 172.475 176.000 0.005 0.000 0.960 112 Q CA -2.534 53.270 55.803 0.001 0.000 0.809 112 Q CB 0.725 29.460 28.738 -0.004 0.000 1.462 112 Q HN -0.101 nan 8.270 nan 0.000 0.392 113 P HA -0.031 nan 4.420 nan 0.000 0.257 113 P C 0.649 177.958 177.300 0.015 0.000 1.153 113 P CA 2.615 65.720 63.100 0.009 0.000 0.762 113 P CB 0.031 31.735 31.700 0.006 0.000 0.743 114 G N 1.847 110.659 108.800 0.019 0.000 2.179 114 G HA2 -0.230 3.730 3.960 0.000 0.000 0.260 114 G HA3 -0.230 3.730 3.960 0.000 0.000 0.260 114 G C 0.086 175.007 174.900 0.035 0.000 0.977 114 G CA -0.068 45.049 45.100 0.029 0.000 0.641 114 G HN 0.528 nan 8.290 nan 0.000 0.533 115 V N 1.648 121.578 119.914 0.027 0.000 2.250 115 V HA 0.449 4.569 4.120 0.000 0.000 0.268 115 V C 0.682 176.789 176.094 0.022 0.000 1.043 115 V CA -0.625 61.693 62.300 0.029 0.000 0.814 115 V CB 1.061 32.897 31.823 0.023 0.000 1.072 115 V HN 0.409 nan 8.190 nan 0.000 0.451 116 R N 3.218 123.732 120.500 0.023 0.000 2.221 116 R HA 0.550 4.890 4.340 0.000 0.000 0.327 116 R C -1.098 175.212 176.300 0.017 0.000 1.033 116 R CA -0.195 55.916 56.100 0.017 0.000 0.887 116 R CB 0.741 31.051 30.300 0.016 0.000 1.057 116 R HN 0.655 nan 8.270 nan 0.000 0.455 117 C N 4.197 123.506 119.300 0.014 0.000 2.369 117 C HA 0.458 4.918 4.460 0.000 0.000 0.322 117 C C -0.577 174.418 174.990 0.010 0.000 1.258 117 C CA -0.696 58.329 59.018 0.013 0.000 1.487 117 C CB 1.462 29.209 27.740 0.012 0.000 2.165 117 C HN 0.810 nan 8.230 nan 0.000 0.483 118 Q N 1.183 120.988 119.800 0.009 0.000 2.433 118 Q HA 0.600 4.940 4.340 0.000 0.000 0.279 118 Q C -1.105 174.899 176.000 0.007 0.000 1.105 118 Q CA -0.575 55.233 55.803 0.007 0.000 0.815 118 Q CB 2.332 31.074 28.738 0.007 0.000 1.403 118 Q HN 0.731 nan 8.270 nan 0.000 0.435 119 Q N 1.624 121.428 119.800 0.006 0.000 2.320 119 Q HA 0.523 4.863 4.340 0.000 0.000 0.268 119 Q C -1.461 174.542 176.000 0.006 0.000 1.023 119 Q CA -0.581 55.226 55.803 0.006 0.000 0.744 119 Q CB 1.734 30.475 28.738 0.005 0.000 1.246 119 Q HN 0.593 nan 8.270 nan 0.000 0.462 120 V N 0.629 120.547 119.914 0.007 0.000 2.815 120 V HA 0.808 4.928 4.120 0.000 0.000 0.314 120 V C -0.093 176.007 176.094 0.009 0.000 1.064 120 V CA -0.512 61.793 62.300 0.007 0.000 0.952 120 V CB 1.533 33.360 31.823 0.007 0.000 1.020 120 V HN 0.800 nan 8.190 nan 0.000 0.439 121 T N 1.328 115.889 114.554 0.011 0.000 2.943 121 T HA 0.799 5.149 4.350 0.000 0.000 0.284 121 T C -0.362 174.349 174.700 0.018 0.000 1.015 121 T CA -0.858 61.252 62.100 0.016 0.000 1.042 121 T CB 1.681 70.560 68.868 0.018 0.000 1.055 121 T HN 0.876 nan 8.240 nan 0.000 0.500 122 R N 1.754 122.268 120.500 0.024 0.000 2.584 122 R HA 0.479 4.819 4.340 0.000 0.000 0.276 122 R C -2.997 173.326 176.300 0.038 0.000 1.046 122 R CA -2.065 54.050 56.100 0.025 0.000 0.906 122 R CB 2.314 32.626 30.300 0.021 0.000 1.215 122 R HN 0.587 nan 8.270 nan 0.000 0.449 123 P HA 0.109 nan 4.420 nan 0.000 0.274 123 P C -0.066 177.274 177.300 0.067 0.000 1.237 123 P CA -0.378 62.761 63.100 0.064 0.000 0.793 123 P CB 0.856 32.589 31.700 0.055 0.000 0.977 124 V N 2.466 122.436 119.914 0.094 0.000 2.521 124 V HA 0.070 4.191 4.120 0.000 0.000 0.286 124 V C 1.964 178.107 176.094 0.082 0.000 1.034 124 V CA 0.694 63.043 62.300 0.083 0.000 1.045 124 V CB 0.097 31.984 31.823 0.106 0.000 0.974 124 V HN 0.752 nan 8.190 nan 0.000 0.480 125 A N 4.721 127.576 122.820 0.058 0.000 1.865 125 A HA -0.052 4.268 4.320 0.000 0.000 0.217 125 A C 1.182 178.803 177.584 0.061 0.000 1.191 125 A CA 1.813 53.880 52.037 0.051 0.000 0.623 125 A CB -0.236 18.786 19.000 0.037 0.000 0.826 125 A HN 1.066 nan 8.150 nan 0.000 0.444 126 S N -1.670 114.071 115.700 0.068 0.000 2.538 126 S HA 0.621 5.091 4.470 0.000 0.000 0.288 126 S C -0.760 173.906 174.600 0.110 0.000 1.108 126 S CA -0.132 58.115 58.200 0.079 0.000 0.971 126 S CB 1.576 64.810 63.200 0.058 0.000 1.041 126 S HN 1.401 nan 8.310 nan 0.000 0.483 127 V N -0.837 119.162 119.914 0.141 0.000 2.876 127 V HA 1.022 5.142 4.120 0.000 0.000 0.312 127 V C 0.063 176.272 176.094 0.191 0.000 1.085 127 V CA -0.495 61.937 62.300 0.219 0.000 0.945 127 V CB 1.365 33.352 31.823 0.274 0.000 1.017 127 V HN 1.298 nan 8.190 nan 0.000 0.428 128 G N 3.189 112.125 108.800 0.226 0.000 2.513 128 G HA2 0.707 4.667 3.960 0.000 0.000 0.317 128 G HA3 0.707 4.667 3.960 0.000 0.000 0.317 128 G C -1.151 173.903 174.900 0.257 0.000 1.277 128 G CA -0.898 44.313 45.100 0.186 0.000 0.955 128 G HN 0.889 nan 8.290 nan 0.000 0.484 129 L N 1.534 122.888 121.223 0.217 0.000 2.322 129 L HA 0.478 4.818 4.340 0.000 0.000 0.281 129 L C -0.982 176.019 176.870 0.219 0.000 1.014 129 L CA -1.168 53.809 54.840 0.228 0.000 0.815 129 L CB 2.050 44.200 42.059 0.151 0.000 1.247 129 L HN 0.560 nan 8.230 nan 0.000 0.421 130 Y N 4.237 124.607 120.300 0.117 0.000 2.377 130 Y HA 0.647 5.197 4.550 0.000 0.000 0.339 130 Y C -0.779 175.175 175.900 0.090 0.000 1.011 130 Y CA -0.841 57.310 58.100 0.086 0.000 1.093 130 Y CB 1.310 39.803 38.460 0.055 0.000 1.201 130 Y HN 0.309 nan 8.280 nan 0.000 0.455 131 I N 8.066 128.151 120.570 -0.808 0.000 2.478 131 I HA 0.316 4.486 4.170 0.000 0.000 0.287 131 I C -2.638 173.083 176.117 -0.659 0.000 1.042 131 I CA -2.605 58.408 61.300 -0.479 0.000 1.067 131 I CB 1.675 39.567 38.000 -0.180 0.000 1.233 131 I HN 0.515 nan 8.210 nan 0.000 0.431 132 P HA 0.212 nan 4.420 nan 0.000 0.269 132 P C 0.380 177.651 177.300 -0.048 0.000 1.215 132 P CA 0.134 63.187 63.100 -0.078 0.000 0.780 132 P CB 1.015 32.776 31.700 0.101 0.000 0.898 133 G N -0.032 108.773 108.800 0.008 0.000 2.849 133 G HA2 0.675 4.636 3.960 0.000 0.000 0.174 133 G HA3 0.675 4.636 3.960 0.000 0.000 0.174 133 G C 0.024 174.957 174.900 0.055 0.000 1.370 133 G CA -0.429 44.688 45.100 0.027 0.000 1.040 133 G HN 0.822 nan 8.290 nan 0.000 0.582 134 G N -1.657 107.178 108.800 0.058 0.000 2.526 134 G HA2 0.191 4.151 3.960 0.000 0.000 0.250 134 G HA3 0.191 4.151 3.960 0.000 0.000 0.250 134 G C 1.204 176.141 174.900 0.061 0.000 1.289 134 G CA 0.725 45.862 45.100 0.061 0.000 0.947 134 G HN 1.749 nan 8.290 nan 0.000 0.517 135 S N -0.254 115.480 115.700 0.058 0.000 2.335 135 S HA 0.350 4.821 4.470 0.000 0.000 0.216 135 S C 1.735 176.375 174.600 0.067 0.000 1.032 135 S CA 2.157 60.390 58.200 0.055 0.000 1.000 135 S CB -0.324 62.904 63.200 0.047 0.000 0.928 135 S HN 2.371 nan 8.310 nan 0.000 0.434 136 A N 4.184 127.044 122.820 0.066 0.000 2.910 136 A HA 0.555 4.875 4.320 0.000 0.000 0.316 136 A C -2.207 175.428 177.584 0.085 0.000 1.493 136 A CA -1.591 50.491 52.037 0.076 0.000 1.150 136 A CB -0.319 18.715 19.000 0.056 0.000 1.159 136 A HN 0.553 nan 8.150 nan 0.000 0.526 137 P HA 0.226 nan 4.420 nan 0.000 0.281 137 P C -0.525 176.838 177.300 0.106 0.000 1.252 137 P CA -0.156 63.017 63.100 0.122 0.000 0.778 137 P CB 1.110 32.904 31.700 0.156 0.000 0.895 138 L N 5.027 126.273 121.223 0.038 0.000 2.399 138 L HA 0.134 4.474 4.340 0.000 0.000 0.257 138 L C 1.523 178.365 176.870 -0.046 0.000 1.236 138 L CA -0.524 54.276 54.840 -0.067 0.000 1.144 138 L CB -0.831 41.214 42.059 -0.023 0.000 1.379 138 L HN 0.397 nan 8.230 nan 0.000 0.414 139 F N -0.198 119.829 119.950 0.128 0.000 2.365 139 F HA -0.137 4.390 4.527 0.000 0.000 0.300 139 F C 2.372 178.258 175.800 0.143 0.000 1.090 139 F CA 0.726 58.794 58.000 0.114 0.000 1.408 139 F CB -0.965 38.099 39.000 0.107 0.000 1.060 139 F HN 0.437 nan 8.300 nan 0.000 0.534 140 S N -0.442 115.148 115.700 -0.182 0.000 2.419 140 S HA -0.204 4.266 4.470 0.000 0.000 0.233 140 S C 1.761 176.441 174.600 0.133 0.000 1.016 140 S CA 1.492 59.750 58.200 0.096 0.000 0.974 140 S CB -1.553 61.710 63.200 0.105 0.000 0.786 140 S HN 0.500 nan 8.310 nan 0.000 0.492 141 T N 2.229 116.884 114.554 0.168 0.000 2.833 141 T HA -0.011 4.340 4.350 0.000 0.000 0.269 141 T C 1.826 176.568 174.700 0.070 0.000 1.054 141 T CA 1.211 63.414 62.100 0.172 0.000 1.135 141 T CB -0.566 68.438 68.868 0.228 0.000 0.869 141 T HN 0.319 nan 8.240 nan 0.000 0.466 142 V N 1.447 121.418 119.914 0.096 0.000 2.287 142 V HA -0.091 4.029 4.120 0.000 0.000 0.248 142 V C 1.616 177.717 176.094 0.013 0.000 1.053 142 V CA 1.238 63.577 62.300 0.065 0.000 1.027 142 V CB -0.754 31.130 31.823 0.102 0.000 0.646 142 V HN 0.418 nan 8.190 nan 0.000 0.447 146 A N 0.246 122.944 122.820 -0.203 0.000 1.969 146 A HA -0.088 4.232 4.320 0.000 0.000 0.218 146 A C 2.059 179.452 177.584 -0.318 0.000 1.169 146 A CA 2.417 54.319 52.037 -0.224 0.000 0.635 146 A CB -0.619 18.306 19.000 -0.125 0.000 0.810 146 A HN 0.415 nan 8.150 nan 0.000 0.445 147 T N 0.661 115.020 114.554 -0.325 0.000 2.674 147 T HA -0.067 4.283 4.350 0.000 0.000 0.265 147 T C -0.203 174.215 174.700 -0.471 0.000 1.039 147 T CA 1.833 63.738 62.100 -0.326 0.000 1.150 147 T CB -1.118 67.595 68.868 -0.258 0.000 0.864 147 T HN 0.384 nan 8.240 nan 0.000 0.427 148 P HA 0.074 nan 4.420 nan 0.000 0.218 148 P C 1.421 178.129 177.300 -0.985 0.000 1.149 148 P CA 1.007 63.598 63.100 -0.849 0.000 0.817 148 P CB -0.194 30.880 31.700 -1.043 0.000 0.785 149 A N -0.368 121.687 122.820 -1.275 0.000 1.877 149 A HA -0.216 4.104 4.320 0.000 0.000 0.216 149 A C 2.534 179.911 177.584 -0.344 0.000 1.186 149 A CA 2.322 53.870 52.037 -0.814 0.000 0.620 149 A CB -1.666 17.047 19.000 -0.478 0.000 0.822 149 A HN 0.233 nan 8.150 nan 0.000 0.443 150 S N -0.284 115.235 115.700 -0.302 0.000 2.356 150 S HA -0.138 4.332 4.470 0.000 0.000 0.223 150 S C 1.930 176.441 174.600 -0.148 0.000 1.032 150 S CA 1.524 59.618 58.200 -0.177 0.000 1.005 150 S CB -0.576 62.529 63.200 -0.158 0.000 0.867 150 S HN 0.478 nan 8.310 nan 0.000 0.449 151 I N 1.732 122.191 120.570 -0.184 0.000 2.226 151 I HA -0.143 4.027 4.170 0.000 0.000 0.245 151 I C 2.848 178.909 176.117 -0.093 0.000 1.100 151 I CA 1.130 62.355 61.300 -0.125 0.000 1.374 151 I CB -0.598 37.328 38.000 -0.124 0.000 1.057 151 I HN 0.397 nan 8.210 nan 0.000 0.413 152 A N 0.375 123.128 122.820 -0.112 0.000 1.972 152 A HA 0.025 4.345 4.320 0.000 0.000 0.219 152 A C 2.015 179.594 177.584 -0.008 0.000 1.169 152 A CA 1.552 53.572 52.037 -0.029 0.000 0.635 152 A CB -0.778 18.245 19.000 0.038 0.000 0.810 152 A HN 0.639 nan 8.150 nan 0.000 0.446 153 G N -2.802 105.982 108.800 -0.027 0.000 2.148 153 G HA2 -0.209 3.751 3.960 0.000 0.000 0.203 153 G HA3 -0.209 3.751 3.960 0.000 0.000 0.203 153 G C 0.139 175.045 174.900 0.009 0.000 0.993 153 G CA -0.226 44.868 45.100 -0.011 0.000 0.661 153 G HN 0.700 nan 8.290 nan 0.000 0.518 154 C N 1.832 121.145 119.300 0.023 0.000 2.523 154 C HA 0.205 4.665 4.460 0.000 0.000 0.406 154 C C 2.102 177.110 174.990 0.030 0.000 1.449 154 C CA 0.182 59.230 59.018 0.051 0.000 1.588 154 C CB 0.631 28.424 27.740 0.089 0.000 2.514 154 C HN 0.462 nan 8.230 nan 0.000 0.606 155 K N 1.841 122.262 120.400 0.035 0.000 2.148 155 K HA -0.052 4.268 4.320 0.000 0.000 0.204 155 K C 0.678 177.296 176.600 0.030 0.000 1.050 155 K CA 1.240 57.542 56.287 0.026 0.000 0.942 155 K CB 0.030 32.546 32.500 0.027 0.000 0.724 155 K HN 0.691 nan 8.250 nan 0.000 0.446 156 K N 0.509 120.936 120.400 0.044 0.000 2.443 156 K HA 0.316 4.636 4.320 0.000 0.000 0.252 156 K C -1.615 175.023 176.600 0.064 0.000 0.933 156 K CA -0.409 55.910 56.287 0.052 0.000 0.792 156 K CB 2.051 34.587 32.500 0.060 0.000 1.185 156 K HN -0.298 nan 8.250 nan 0.000 0.425 157 V N 4.741 124.690 119.914 0.059 0.000 2.525 157 V HA 0.428 4.548 4.120 0.000 0.000 0.299 157 V C -0.542 175.603 176.094 0.085 0.000 1.034 157 V CA -0.825 61.513 62.300 0.063 0.000 0.863 157 V CB 1.430 33.263 31.823 0.017 0.000 0.999 157 V HN 0.621 nan 8.190 nan 0.000 0.423 158 V N 3.288 123.279 119.914 0.129 0.000 3.040 158 V HA 0.851 4.971 4.120 0.000 0.000 0.312 158 V C -1.108 175.099 176.094 0.188 0.000 1.115 158 V CA -0.943 61.474 62.300 0.195 0.000 0.998 158 V CB 2.293 34.312 31.823 0.327 0.000 1.042 158 V HN 0.786 nan 8.190 nan 0.000 0.433 159 L N 1.918 123.268 121.223 0.211 0.000 2.431 159 L HA 0.845 5.185 4.340 0.000 0.000 0.266 159 L C -1.187 175.816 176.870 0.223 0.000 0.978 159 L CA -0.102 54.838 54.840 0.167 0.000 0.822 159 L CB 1.870 43.975 42.059 0.076 0.000 1.310 159 L HN 0.978 nan 8.230 nan 0.000 0.409 160 C N 2.279 121.689 119.300 0.184 0.000 2.456 160 C HA 0.860 5.320 4.460 0.000 0.000 0.325 160 C C -0.040 174.952 174.990 0.003 0.000 1.217 160 C CA -0.404 58.727 59.018 0.189 0.000 1.687 160 C CB 1.440 29.332 27.740 0.253 0.000 2.270 160 C HN 0.795 nan 8.230 nan 0.000 0.499 161 S N 2.165 117.866 115.700 0.001 0.000 2.535 161 S HA 0.555 5.025 4.470 0.000 0.000 0.272 161 S C -3.098 171.501 174.600 -0.002 0.000 1.149 161 S CA -0.646 57.482 58.200 -0.119 0.000 0.888 161 S CB 1.681 64.812 63.200 -0.115 0.000 1.110 161 S HN 0.482 nan 8.310 nan 0.000 0.463 162 P HA 0.185 nan 4.420 nan 0.000 0.262 162 P C -2.484 174.841 177.300 0.042 0.000 1.199 162 P CA -0.624 62.505 63.100 0.049 0.000 0.763 162 P CB -0.132 31.605 31.700 0.062 0.000 0.790 163 P HA 0.228 nan 4.420 nan 0.000 0.277 163 P C -2.364 174.966 177.300 0.049 0.000 1.240 163 P CA -1.769 61.359 63.100 0.046 0.000 0.798 163 P CB -0.280 31.450 31.700 0.051 0.000 0.979 164 P HA 0.326 nan 4.420 nan 0.000 0.279 164 P C -0.248 177.071 177.300 0.032 0.000 1.239 164 P CA -0.129 62.991 63.100 0.035 0.000 0.789 164 P CB 0.825 32.544 31.700 0.031 0.000 0.933 165 I N 2.064 122.650 120.570 0.025 0.000 2.337 165 I HA 0.224 4.394 4.170 0.000 0.000 0.291 165 I C 1.158 177.290 176.117 0.025 0.000 1.046 165 I CA -0.757 60.556 61.300 0.022 0.000 1.324 165 I CB 0.883 38.891 38.000 0.013 0.000 1.409 165 I HN 0.430 nan 8.210 nan 0.000 0.494 166 A N 5.436 128.278 122.820 0.036 0.000 2.586 166 A HA -0.059 4.261 4.320 0.000 0.000 0.231 166 A C 1.165 178.764 177.584 0.025 0.000 1.055 166 A CA -0.025 52.035 52.037 0.038 0.000 0.756 166 A CB 0.078 19.118 19.000 0.066 0.000 0.988 166 A HN 0.804 nan 8.150 nan 0.000 0.509 167 D N 1.556 121.960 120.400 0.006 0.000 2.149 167 D HA -0.153 4.487 4.640 0.000 0.000 0.198 167 D C 1.600 177.893 176.300 -0.012 0.000 0.990 167 D CA 2.007 56.003 54.000 -0.006 0.000 0.839 167 D CB -0.131 40.649 40.800 -0.033 0.000 0.948 167 D HN 0.760 nan 8.370 nan 0.000 0.460 168 E N 0.576 120.736 120.200 -0.068 0.000 2.085 168 E HA -0.109 4.241 4.350 0.000 0.000 0.194 168 E C 2.305 178.883 176.600 -0.036 0.000 0.994 168 E CA 0.427 56.709 56.400 -0.197 0.000 0.801 168 E CB -0.223 29.210 29.700 -0.446 0.000 0.743 168 E HN 0.348 nan 8.360 nan 0.000 0.453 169 I N 0.298 120.911 120.570 0.072 0.000 2.142 169 I HA -0.278 3.892 4.170 0.000 0.000 0.240 169 I C 2.143 178.292 176.117 0.054 0.000 1.078 169 I CA 0.983 62.348 61.300 0.108 0.000 1.343 169 I CB -0.249 37.803 38.000 0.087 0.000 1.046 169 I HN 0.103 nan 8.210 nan 0.000 0.405 170 L N -0.571 120.674 121.223 0.036 0.000 2.042 170 L HA -0.288 4.052 4.340 0.000 0.000 0.210 170 L C 2.691 179.567 176.870 0.010 0.000 1.076 170 L CA 1.761 56.609 54.840 0.013 0.000 0.749 170 L CB -0.844 41.224 42.059 0.015 0.000 0.893 170 L HN 0.291 nan 8.230 nan 0.000 0.432 171 Y N 0.548 120.808 120.300 -0.066 0.000 2.163 171 Y HA -0.237 4.313 4.550 0.000 0.000 0.288 171 Y C 2.545 178.411 175.900 -0.058 0.000 1.136 171 Y CA 1.410 59.465 58.100 -0.075 0.000 1.147 171 Y CB -0.152 38.240 38.460 -0.114 0.000 0.987 171 Y HN 0.097 nan 8.280 nan 0.000 0.509 172 A N 0.470 123.284 122.820 -0.011 0.000 1.933 172 A HA -0.158 4.162 4.320 0.000 0.000 0.218 172 A C 2.362 179.889 177.584 -0.094 0.000 1.175 172 A CA 1.844 53.867 52.037 -0.023 0.000 0.628 172 A CB -1.439 17.647 19.000 0.143 0.000 0.814 172 A HN 0.613 nan 8.150 nan 0.000 0.444 173 A N -1.092 121.684 122.820 -0.075 0.000 1.855 173 A HA -0.168 4.152 4.320 0.000 0.000 0.215 173 A C 2.164 179.668 177.584 -0.133 0.000 1.191 173 A CA 2.064 54.053 52.037 -0.078 0.000 0.613 173 A CB -0.573 18.396 19.000 -0.051 0.000 0.829 173 A HN 0.494 nan 8.150 nan 0.000 0.442 174 Q N -0.570 119.120 119.800 -0.184 0.000 2.061 174 Q HA -0.165 4.175 4.340 0.000 0.000 0.204 174 Q C 1.892 177.739 176.000 -0.254 0.000 0.984 174 Q CA 1.843 57.521 55.803 -0.208 0.000 0.846 174 Q CB -0.638 27.959 28.738 -0.234 0.000 0.902 174 Q HN 0.506 nan 8.270 nan 0.000 0.421 175 L N -0.487 120.498 121.223 -0.396 0.000 2.081 175 L HA -0.192 4.148 4.340 0.000 0.000 0.212 175 L C 1.564 178.323 176.870 -0.184 0.000 1.080 175 L CA 1.864 56.496 54.840 -0.346 0.000 0.754 175 L CB -0.502 41.310 42.059 -0.411 0.000 0.893 175 L HN 0.397 nan 8.230 nan 0.000 0.433 176 C N 0.349 119.558 119.300 -0.152 0.000 2.614 176 C HA 0.551 5.011 4.460 0.000 0.000 0.299 176 C C 1.647 176.572 174.990 -0.109 0.000 1.293 176 C CA -0.070 58.877 59.018 -0.117 0.000 1.713 176 C CB -1.582 26.093 27.740 -0.109 0.000 1.890 176 C HN 0.850 nan 8.230 nan 0.000 0.602 177 G N 1.049 109.784 108.800 -0.108 0.000 2.153 177 G HA2 -0.230 3.730 3.960 0.000 0.000 0.252 177 G HA3 -0.230 3.730 3.960 0.000 0.000 0.252 177 G C 0.148 175.005 174.900 -0.072 0.000 0.994 177 G CA 0.308 45.356 45.100 -0.087 0.000 0.698 177 G HN 0.428 nan 8.290 nan 0.000 0.521 178 V N 0.598 120.468 119.914 -0.073 0.000 2.540 178 V HA 0.032 4.152 4.120 0.000 0.000 0.297 178 V C 1.781 177.848 176.094 -0.046 0.000 1.024 178 V CA 1.422 63.693 62.300 -0.048 0.000 1.105 178 V CB 1.237 33.035 31.823 -0.041 0.000 0.938 178 V HN 0.622 nan 8.190 nan 0.000 0.482 179 Q N 2.429 122.216 119.800 -0.022 0.000 2.016 179 Q HA -0.028 4.312 4.340 0.000 0.000 0.200 179 Q C 0.067 176.038 176.000 -0.049 0.000 0.978 179 Q CA 1.259 57.049 55.803 -0.022 0.000 0.833 179 Q CB 0.206 28.951 28.738 0.011 0.000 0.895 179 Q HN 0.770 nan 8.270 nan 0.000 0.427 180 D N -0.592 119.786 120.400 -0.038 0.000 2.619 180 D HA 0.380 5.020 4.640 0.000 0.000 0.241 180 D C -1.265 174.887 176.300 -0.245 0.000 1.087 180 D CA -0.334 53.551 54.000 -0.192 0.000 0.851 180 D CB 2.739 43.452 40.800 -0.145 0.000 1.474 180 D HN -0.160 nan 8.370 nan 0.000 0.478 181 V N 2.059 121.690 119.914 -0.471 0.000 2.487 181 V HA 0.476 4.596 4.120 0.000 0.000 0.298 181 V C -0.846 174.938 176.094 -0.517 0.000 1.028 181 V CA -0.716 61.407 62.300 -0.296 0.000 0.860 181 V CB 1.205 32.935 31.823 -0.156 0.000 0.991 181 V HN 0.363 nan 8.190 nan 0.000 0.427 182 F N 2.188 122.150 119.950 0.021 0.000 2.495 182 F HA 0.482 5.009 4.527 0.000 0.000 0.327 182 F C 0.829 176.645 175.800 0.027 0.000 1.103 182 F CA -0.930 57.086 58.000 0.027 0.000 0.949 182 F CB 1.517 40.539 39.000 0.036 0.000 1.142 182 F HN 0.362 nan 8.300 nan 0.000 0.457 183 N N 3.354 122.167 118.700 0.188 0.000 2.819 183 N HA 0.245 4.985 4.740 0.000 0.000 0.284 183 N C -1.071 174.516 175.510 0.128 0.000 1.196 183 N CA 0.211 53.334 53.050 0.121 0.000 1.114 183 N CB 0.342 38.880 38.487 0.085 0.000 1.437 183 N HN 0.440 nan 8.380 nan 0.000 0.518 184 V N -2.348 117.647 119.914 0.134 0.000 2.969 184 V HA 0.952 5.072 4.120 0.000 0.000 0.304 184 V C 0.153 176.330 176.094 0.139 0.000 1.192 184 V CA -0.996 61.368 62.300 0.107 0.000 0.962 184 V CB 1.693 33.575 31.823 0.099 0.000 1.045 184 V HN 0.303 nan 8.190 nan 0.000 0.428 185 G N 0.375 109.237 108.800 0.102 0.000 3.022 185 G HA2 0.925 4.885 3.960 0.000 0.000 0.284 185 G HA3 0.925 4.885 3.960 0.000 0.000 0.284 185 G C 0.285 175.213 174.900 0.046 0.000 1.375 185 G CA -0.068 45.168 45.100 0.226 0.000 0.902 185 G HN 2.299 nan 8.290 nan 0.000 0.538 186 G N -0.741 108.083 108.800 0.040 0.000 2.598 186 G HA2 0.192 4.153 3.960 0.000 0.000 0.269 186 G HA3 0.192 4.153 3.960 0.000 0.000 0.269 186 G C 1.445 176.183 174.900 -0.270 0.000 1.289 186 G CA 1.256 46.255 45.100 -0.168 0.000 0.926 186 G HN 1.965 nan 8.290 nan 0.000 0.567 187 A N -1.479 121.205 122.820 -0.227 0.000 2.121 187 A HA 0.099 4.419 4.320 0.000 0.000 0.218 187 A C 2.312 179.770 177.584 -0.211 0.000 1.154 187 A CA 2.443 54.367 52.037 -0.188 0.000 0.679 187 A CB -0.333 18.616 19.000 -0.086 0.000 0.795 187 A HN 0.736 nan 8.150 nan 0.000 0.458 188 Q N -0.214 119.423 119.800 -0.271 0.000 2.137 188 Q HA 0.157 4.497 4.340 0.000 0.000 0.198 188 Q C 2.280 178.214 176.000 -0.110 0.000 0.960 188 Q CA 1.541 57.214 55.803 -0.217 0.000 0.847 188 Q CB -0.606 27.960 28.738 -0.287 0.000 0.915 188 Q HN 0.592 nan 8.270 nan 0.000 0.448 189 A N 0.869 123.634 122.820 -0.092 0.000 1.877 189 A HA -0.157 4.163 4.320 0.000 0.000 0.216 189 A C 1.942 179.483 177.584 -0.072 0.000 1.186 189 A CA 1.232 53.262 52.037 -0.012 0.000 0.620 189 A CB -0.575 18.522 19.000 0.161 0.000 0.822 189 A HN 0.274 nan 8.150 nan 0.000 0.443 190 I N 0.112 120.582 120.570 -0.166 0.000 2.163 190 I HA -0.259 3.911 4.170 0.000 0.000 0.243 190 I C 2.945 178.922 176.117 -0.233 0.000 1.085 190 I CA 1.535 62.714 61.300 -0.202 0.000 1.347 190 I CB -1.676 36.175 38.000 -0.249 0.000 1.044 190 I HN 0.369 nan 8.210 nan 0.000 0.408 191 A N 0.905 123.613 122.820 -0.186 0.000 1.902 191 A HA -0.118 4.202 4.320 0.000 0.000 0.217 191 A C 2.589 180.107 177.584 -0.110 0.000 1.181 191 A CA 2.045 53.982 52.037 -0.166 0.000 0.623 191 A CB -0.794 18.267 19.000 0.100 0.000 0.818 191 A HN 0.422 nan 8.150 nan 0.000 0.443 192 A N -0.317 122.471 122.820 -0.054 0.000 1.902 192 A HA -0.051 4.269 4.320 0.000 0.000 0.217 192 A C 2.180 179.697 177.584 -0.111 0.000 1.181 192 A CA 1.549 53.558 52.037 -0.046 0.000 0.623 192 A CB -0.574 18.384 19.000 -0.070 0.000 0.818 192 A HN 0.476 nan 8.150 nan 0.000 0.443 193 L N -1.107 120.031 121.223 -0.142 0.000 2.109 193 L HA -0.122 4.218 4.340 0.000 0.000 0.207 193 L C 3.032 179.795 176.870 -0.179 0.000 1.086 193 L CA 0.954 55.713 54.840 -0.135 0.000 0.760 193 L CB -0.455 41.555 42.059 -0.081 0.000 0.910 193 L HN 0.438 nan 8.230 nan 0.000 0.437 194 A N -0.582 122.040 122.820 -0.330 0.000 1.968 194 A HA -0.102 4.218 4.320 0.000 0.000 0.217 194 A C 1.770 179.085 177.584 -0.449 0.000 1.169 194 A CA 1.332 53.075 52.037 -0.490 0.000 0.638 194 A CB -0.304 18.210 19.000 -0.809 0.000 0.812 194 A HN 0.346 nan 8.150 nan 0.000 0.446 195 F N -1.131 118.793 119.950 -0.043 0.000 2.602 195 F HA 0.449 4.976 4.527 0.000 0.000 0.284 195 F C 1.404 177.180 175.800 -0.040 0.000 1.111 195 F CA 0.114 58.092 58.000 -0.036 0.000 1.405 195 F CB -0.574 38.408 39.000 -0.030 0.000 1.121 195 F HN 0.381 nan 8.300 nan 0.000 0.603 196 G N 0.759 109.619 108.800 0.100 0.000 2.721 196 G HA2 0.193 4.153 3.960 0.000 0.000 0.686 196 G HA3 0.193 4.153 3.960 0.000 0.000 0.686 196 G C -0.324 174.600 174.900 0.040 0.000 1.236 196 G CA -0.477 44.637 45.100 0.024 0.000 0.786 196 G HN 0.539 nan 8.290 nan 0.000 0.616 197 T N -1.748 112.799 114.554 -0.013 0.000 2.669 197 T HA 0.732 5.082 4.350 0.000 0.000 0.283 197 T C 1.050 175.746 174.700 -0.007 0.000 1.019 197 T CA 0.494 62.594 62.100 0.000 0.000 1.039 197 T CB 1.520 70.385 68.868 -0.005 0.000 1.374 197 T HN 0.545 nan 8.240 nan 0.000 0.523 198 E N 0.585 120.790 120.200 0.008 0.000 2.118 198 E HA -0.027 4.323 4.350 0.000 0.000 0.195 198 E C 2.115 178.731 176.600 0.027 0.000 0.992 198 E CA 1.897 58.308 56.400 0.019 0.000 0.804 198 E CB -0.217 29.499 29.700 0.026 0.000 0.741 198 E HN 0.528 nan 8.360 nan 0.000 0.458 199 S N -0.524 115.189 115.700 0.022 0.000 2.452 199 S HA 0.096 4.566 4.470 0.000 0.000 0.225 199 S C 0.657 175.222 174.600 -0.059 0.000 1.057 199 S CA -0.100 58.140 58.200 0.066 0.000 0.949 199 S CB 0.510 63.788 63.200 0.131 0.000 0.836 199 S HN -0.042 nan 8.310 nan 0.000 0.518 200 V N 5.555 125.292 119.914 -0.295 0.000 2.461 200 V HA 0.282 4.402 4.120 0.000 0.000 0.275 200 V C -2.211 173.710 176.094 -0.289 0.000 1.047 200 V CA -1.961 59.956 62.300 -0.639 0.000 0.955 200 V CB 0.698 32.137 31.823 -0.641 0.000 0.988 200 V HN 0.256 nan 8.190 nan 0.000 0.471 201 P HA 0.184 nan 4.420 nan 0.000 0.278 201 P C -0.751 176.508 177.300 -0.068 0.000 1.238 201 P CA -0.673 62.384 63.100 -0.072 0.000 0.794 201 P CB 1.072 32.773 31.700 0.002 0.000 0.955 202 K N 2.404 122.788 120.400 -0.027 0.000 2.322 202 K HA 0.287 4.607 4.320 0.000 0.000 0.283 202 K C -0.119 176.473 176.600 -0.013 0.000 1.042 202 K CA -0.516 55.758 56.287 -0.020 0.000 0.958 202 K CB 0.290 32.798 32.500 0.013 0.000 0.984 202 K HN 0.363 nan 8.250 nan 0.000 0.473 203 V N 0.787 120.686 119.914 -0.026 0.000 2.994 203 V HA 0.297 4.417 4.120 0.000 0.000 0.318 203 V C 0.454 176.539 176.094 -0.015 0.000 1.085 203 V CA -0.576 61.724 62.300 0.000 0.000 0.998 203 V CB 1.844 33.683 31.823 0.027 0.000 1.063 203 V HN 0.850 nan 8.190 nan 0.000 0.447 204 D N 0.654 121.058 120.400 0.006 0.000 2.194 204 D HA 0.052 4.692 4.640 0.000 0.000 0.204 204 D C 0.494 176.764 176.300 -0.049 0.000 0.964 204 D CA 1.451 55.443 54.000 -0.013 0.000 0.846 204 D CB 0.539 41.344 40.800 0.009 0.000 0.962 204 D HN 0.650 nan 8.370 nan 0.000 0.490 205 K N 0.163 120.546 120.400 -0.029 0.000 2.523 205 K HA 0.456 4.776 4.320 0.000 0.000 0.257 205 K C -1.641 174.893 176.600 -0.109 0.000 0.932 205 K CA -0.531 55.669 56.287 -0.147 0.000 0.812 205 K CB 2.115 34.489 32.500 -0.210 0.000 1.326 205 K HN -0.213 nan 8.250 nan 0.000 0.433 206 I N 4.172 124.573 120.570 -0.281 0.000 2.378 206 I HA 0.401 4.571 4.170 0.000 0.000 0.291 206 I C -1.066 174.880 176.117 -0.285 0.000 0.992 206 I CA -0.801 60.421 61.300 -0.130 0.000 1.154 206 I CB 0.968 38.893 38.000 -0.125 0.000 1.315 206 I HN 0.433 nan 8.210 nan 0.000 0.448 207 F N 3.187 123.122 119.950 -0.026 0.000 2.546 207 F HA 0.831 5.358 4.527 0.000 0.000 0.320 207 F C 0.585 176.431 175.800 0.077 0.000 1.076 207 F CA -0.967 57.030 58.000 -0.006 0.000 0.928 207 F CB 2.152 41.152 39.000 0.000 0.000 1.189 207 F HN 0.560 nan 8.300 nan 0.000 0.465 208 G N 2.788 111.744 108.800 0.259 0.000 3.014 208 G HA2 0.146 4.106 3.960 0.000 0.000 0.683 208 G HA3 0.146 4.106 3.960 0.000 0.000 0.683 208 G C -3.368 171.647 174.900 0.192 0.000 1.271 208 G CA -1.391 43.851 45.100 0.236 0.000 0.843 208 G HN 0.443 nan 8.290 nan 0.000 0.612 209 P HA 0.732 nan 4.420 nan 0.000 0.278 209 P C 0.621 178.034 177.300 0.187 0.000 1.266 209 P CA 0.462 63.634 63.100 0.119 0.000 0.807 209 P CB 2.046 33.794 31.700 0.080 0.000 1.094 210 G N 0.213 109.086 108.800 0.121 0.000 2.650 210 G HA2 0.377 4.337 3.960 0.000 0.000 0.310 210 G HA3 0.377 4.337 3.960 0.000 0.000 0.310 210 G C -0.756 174.197 174.900 0.089 0.000 1.270 210 G CA -0.707 44.490 45.100 0.162 0.000 0.810 210 G HN 0.707 nan 8.290 nan 0.000 0.493 211 N N -0.509 118.254 118.700 0.104 0.000 2.290 211 N HA 0.463 5.203 4.740 0.000 0.000 0.269 211 N C 1.670 177.209 175.510 0.049 0.000 1.295 211 N CA 0.633 53.740 53.050 0.095 0.000 0.932 211 N CB 0.259 38.841 38.487 0.158 0.000 1.128 211 N HN 0.815 nan 8.380 nan 0.000 0.532 212 A N -0.899 121.937 122.820 0.027 0.000 1.940 212 A HA -0.075 4.245 4.320 0.000 0.000 0.219 212 A C 1.901 179.378 177.584 -0.178 0.000 1.176 212 A CA 1.187 53.157 52.037 -0.111 0.000 0.631 212 A CB -1.190 17.683 19.000 -0.211 0.000 0.814 212 A HN 0.598 nan 8.150 nan 0.000 0.446 213 F N -0.627 119.297 119.950 -0.044 0.000 2.206 213 F HA -0.082 4.445 4.527 0.000 0.000 0.298 213 F C 2.394 178.121 175.800 -0.121 0.000 1.090 213 F CA 1.212 59.171 58.000 -0.069 0.000 1.323 213 F CB -0.499 38.464 39.000 -0.062 0.000 1.028 213 F HN 0.020 nan 8.300 nan 0.000 0.492 214 V N -0.402 119.525 119.914 0.021 0.000 2.261 214 V HA -0.291 3.829 4.120 0.000 0.000 0.246 214 V C 2.294 178.312 176.094 -0.127 0.000 1.047 214 V CA 2.446 64.653 62.300 -0.155 0.000 1.015 214 V CB -1.032 30.636 31.823 -0.260 0.000 0.642 214 V HN 0.363 nan 8.190 nan 0.000 0.446 215 T N -0.287 114.216 114.554 -0.085 0.000 2.635 215 T HA -0.281 4.069 4.350 0.000 0.000 0.267 215 T C 1.919 176.566 174.700 -0.089 0.000 1.040 215 T CA 2.046 64.097 62.100 -0.082 0.000 1.156 215 T CB -0.291 68.537 68.868 -0.067 0.000 0.863 215 T HN 0.526 nan 8.240 nan 0.000 0.430 216 E N 1.430 121.572 120.200 -0.096 0.000 2.110 216 E HA -0.033 4.317 4.350 0.000 0.000 0.193 216 E C 2.185 178.743 176.600 -0.070 0.000 0.988 216 E CA 1.346 57.692 56.400 -0.089 0.000 0.804 216 E CB -0.599 29.029 29.700 -0.121 0.000 0.745 216 E HN 0.451 nan 8.360 nan 0.000 0.458 217 A N 0.715 123.492 122.820 -0.072 0.000 1.902 217 A HA -0.186 4.134 4.320 0.000 0.000 0.217 217 A C 2.073 179.587 177.584 -0.117 0.000 1.181 217 A CA 1.771 53.759 52.037 -0.082 0.000 0.623 217 A CB -0.408 18.527 19.000 -0.108 0.000 0.818 217 A HN 0.220 nan 8.150 nan 0.000 0.443 218 K N -0.854 119.467 120.400 -0.133 0.000 2.097 218 K HA -0.110 4.210 4.320 0.000 0.000 0.205 218 K C 2.357 178.882 176.600 -0.124 0.000 1.050 218 K CA 1.282 57.482 56.287 -0.145 0.000 0.938 218 K CB -0.147 32.266 32.500 -0.145 0.000 0.718 218 K HN 0.464 nan 8.250 nan 0.000 0.442 219 R N 1.459 121.900 120.500 -0.098 0.000 2.073 219 R HA -0.159 4.181 4.340 0.000 0.000 0.234 219 R C 2.128 178.388 176.300 -0.066 0.000 1.134 219 R CA 1.582 57.634 56.100 -0.080 0.000 0.952 219 R CB 0.027 30.291 30.300 -0.059 0.000 0.850 219 R HN 0.247 nan 8.270 nan 0.000 0.433 220 Q N -0.086 119.681 119.800 -0.055 0.000 2.046 220 Q HA -0.125 4.215 4.340 0.000 0.000 0.200 220 Q C 2.165 178.147 176.000 -0.031 0.000 0.975 220 Q CA 1.956 57.742 55.803 -0.027 0.000 0.836 220 Q CB 0.004 28.741 28.738 -0.001 0.000 0.896 220 Q HN 0.401 nan 8.270 nan 0.000 0.428 221 V N -1.321 118.545 119.914 -0.081 0.000 2.626 221 V HA -0.167 3.953 4.120 0.000 0.000 0.252 221 V C 2.178 178.208 176.094 -0.107 0.000 1.067 221 V CA 1.722 63.947 62.300 -0.124 0.000 1.081 221 V CB -0.863 30.792 31.823 -0.280 0.000 0.686 221 V HN 0.343 nan 8.190 nan 0.000 0.468 222 S N -0.576 115.059 115.700 -0.108 0.000 2.428 222 S HA -0.145 4.325 4.470 0.000 0.000 0.230 222 S C 1.934 176.492 174.600 -0.070 0.000 1.014 222 S CA 1.042 59.178 58.200 -0.106 0.000 0.957 222 S CB -0.398 62.728 63.200 -0.122 0.000 0.784 222 S HN 0.639 nan 8.310 nan 0.000 0.499 223 Q N 0.757 120.528 119.800 -0.048 0.000 2.339 223 Q HA 0.259 4.599 4.340 0.000 0.000 0.205 223 Q C 0.482 176.478 176.000 -0.006 0.000 0.925 223 Q CA 0.378 56.165 55.803 -0.027 0.000 0.898 223 Q CB 0.048 28.774 28.738 -0.020 0.000 1.013 223 Q HN 0.617 nan 8.270 nan 0.000 0.504 224 R N 0.699 121.206 120.500 0.011 0.000 2.490 224 R HA 0.104 4.444 4.340 0.000 0.000 0.278 224 R C 1.258 177.580 176.300 0.037 0.000 1.069 224 R CA -0.317 55.810 56.100 0.044 0.000 1.080 224 R CB 0.713 31.081 30.300 0.112 0.000 1.030 224 R HN 0.003 nan 8.270 nan 0.000 0.491 225 L N 2.182 123.428 121.223 0.038 0.000 2.156 225 L HA -0.111 4.229 4.340 0.000 0.000 0.208 225 L C 1.135 178.035 176.870 0.051 0.000 1.095 225 L CA 1.840 56.698 54.840 0.029 0.000 0.770 225 L CB -0.210 41.861 42.059 0.020 0.000 0.914 225 L HN 0.712 nan 8.230 nan 0.000 0.439 226 D N -1.585 118.872 120.400 0.094 0.000 2.319 226 D HA 0.118 4.758 4.640 0.000 0.000 0.230 226 D C 1.143 177.589 176.300 0.243 0.000 1.094 226 D CA 0.525 54.612 54.000 0.145 0.000 0.856 226 D CB -0.494 40.384 40.800 0.129 0.000 0.915 226 D HN 0.286 nan 8.370 nan 0.000 0.517 227 G N -0.229 108.649 108.800 0.130 0.000 3.022 227 G HA2 0.658 4.618 3.960 0.000 0.000 0.157 227 G HA3 0.658 4.618 3.960 0.000 0.000 0.157 227 G C -0.579 174.263 174.900 -0.096 0.000 1.468 227 G CA -0.103 44.983 45.100 -0.023 0.000 1.058 227 G HN 0.478 nan 8.290 nan 0.000 0.581 228 A N -2.397 120.335 122.820 -0.147 0.000 2.602 228 A HA 0.816 5.136 4.320 0.000 0.000 0.290 228 A C -0.236 177.257 177.584 -0.151 0.000 1.114 228 A CA 0.148 52.102 52.037 -0.137 0.000 0.683 228 A CB 0.791 19.693 19.000 -0.163 0.000 1.281 228 A HN 1.828 nan 8.150 nan 0.000 0.416 229 A N 0.132 122.858 122.820 -0.158 0.000 2.287 229 A HA 0.754 5.074 4.320 0.000 0.000 0.273 229 A C 0.189 177.606 177.584 -0.279 0.000 1.091 229 A CA 0.090 52.010 52.037 -0.195 0.000 0.817 229 A CB -0.110 18.778 19.000 -0.186 0.000 1.069 229 A HN 1.747 nan 8.150 nan 0.000 0.492 230 I N -1.689 118.695 120.570 -0.310 0.000 2.892 230 I HA 0.539 4.709 4.170 0.000 0.000 0.306 230 I C -0.570 175.259 176.117 -0.480 0.000 1.078 230 I CA -1.162 59.905 61.300 -0.388 0.000 1.032 230 I CB 1.937 39.776 38.000 -0.268 0.000 1.229 230 I HN 0.700 nan 8.210 nan 0.000 0.435 234 A N -0.320 122.520 122.820 0.033 0.000 2.452 234 A HA 1.020 5.340 4.320 0.000 0.000 0.285 234 A C 0.211 177.885 177.584 0.150 0.000 1.209 234 A CA -0.100 51.984 52.037 0.078 0.000 0.940 234 A CB 0.907 19.912 19.000 0.009 0.000 1.440 234 A HN 1.413 nan 8.150 nan 0.000 0.480 235 G N -1.924 106.879 108.800 0.006 0.000 2.328 235 G HA2 0.466 4.426 3.960 0.000 0.000 0.299 235 G HA3 0.466 4.426 3.960 0.000 0.000 0.299 235 G C -3.462 171.347 174.900 -0.152 0.000 1.435 235 G CA -0.684 44.288 45.100 -0.212 0.000 0.865 235 G HN 0.601 nan 8.290 nan 0.000 0.601 236 P HA 0.341 nan 4.420 nan 0.000 0.266 236 P C 0.175 177.478 177.300 0.005 0.000 1.193 236 P CA 0.083 63.132 63.100 -0.085 0.000 0.770 236 P CB 0.964 32.614 31.700 -0.082 0.000 0.836 237 S N 1.259 116.974 115.700 0.025 0.000 2.601 237 S HA 0.291 4.761 4.470 0.000 0.000 0.271 237 S C -0.384 174.287 174.600 0.117 0.000 1.305 237 S CA -0.433 57.803 58.200 0.059 0.000 1.022 237 S CB 0.062 63.274 63.200 0.019 0.000 0.940 237 S HN 0.398 nan 8.310 nan 0.000 0.525 238 E N 0.899 121.204 120.200 0.176 0.000 2.408 238 E HA 0.720 5.070 4.350 0.000 0.000 0.275 238 E C -1.683 175.085 176.600 0.280 0.000 0.935 238 E CA -1.013 55.515 56.400 0.214 0.000 0.775 238 E CB 1.956 31.816 29.700 0.267 0.000 1.277 238 E HN 0.334 nan 8.360 nan 0.000 0.455 239 V N 2.027 122.050 119.914 0.182 0.000 2.851 239 V HA 0.574 4.694 4.120 0.000 0.000 0.307 239 V C -1.896 174.233 176.094 0.058 0.000 1.129 239 V CA -0.662 61.718 62.300 0.134 0.000 0.932 239 V CB 1.919 33.746 31.823 0.007 0.000 1.024 239 V HN 0.684 nan 8.190 nan 0.000 0.426 240 L N 6.511 127.766 121.223 0.053 0.000 2.406 240 L HA 0.793 5.133 4.340 0.000 0.000 0.272 240 L C -1.399 175.463 176.870 -0.014 0.000 0.980 240 L CA -0.421 54.411 54.840 -0.014 0.000 0.831 240 L CB 1.980 44.033 42.059 -0.010 0.000 1.253 240 L HN 0.539 nan 8.230 nan 0.000 0.406 241 V N 6.047 125.935 119.914 -0.044 0.000 2.459 241 V HA 0.470 4.590 4.120 0.000 0.000 0.295 241 V C 0.038 176.104 176.094 -0.047 0.000 1.029 241 V CA -0.389 61.887 62.300 -0.040 0.000 0.874 241 V CB 1.796 33.590 31.823 -0.048 0.000 0.985 241 V HN 0.567 nan 8.190 nan 0.000 0.438 242 I N 4.117 124.667 120.570 -0.033 0.000 2.362 242 I HA 0.760 4.930 4.170 0.000 0.000 0.289 242 I C 0.165 176.262 176.117 -0.034 0.000 0.994 242 I CA -0.311 60.964 61.300 -0.041 0.000 1.158 242 I CB 1.643 39.623 38.000 -0.033 0.000 1.315 242 I HN 0.716 nan 8.210 nan 0.000 0.451 243 A N 5.138 127.934 122.820 -0.039 0.000 2.422 243 A HA 0.684 5.004 4.320 0.000 0.000 0.302 243 A C -1.044 176.519 177.584 -0.034 0.000 1.041 243 A CA -0.709 51.307 52.037 -0.035 0.000 0.708 243 A CB 1.362 20.340 19.000 -0.036 0.000 1.257 243 A HN 0.709 nan 8.150 nan 0.000 0.414 244 D N 0.697 121.079 120.400 -0.030 0.000 2.564 244 D HA 0.354 4.994 4.640 0.000 0.000 0.273 244 D C 1.324 177.607 176.300 -0.029 0.000 1.192 244 D CA 0.232 54.216 54.000 -0.027 0.000 1.080 244 D CB 0.038 40.826 40.800 -0.020 0.000 1.160 244 D HN 0.423 nan 8.370 nan 0.000 0.607 245 S N -1.985 113.700 115.700 -0.025 0.000 2.469 245 S HA -0.005 4.465 4.470 0.000 0.000 0.238 245 S C 1.874 176.454 174.600 -0.033 0.000 0.998 245 S CA 0.625 58.808 58.200 -0.027 0.000 0.957 245 S CB -0.992 62.196 63.200 -0.020 0.000 0.764 245 S HN 0.697 nan 8.310 nan 0.000 0.514 246 G N 0.710 109.491 108.800 -0.031 0.000 2.985 246 G HA2 0.500 4.460 3.960 0.000 0.000 0.209 246 G HA3 0.500 4.460 3.960 0.000 0.000 0.209 246 G C 0.426 175.293 174.900 -0.056 0.000 1.165 246 G CA 0.110 45.189 45.100 -0.035 0.000 0.776 246 G HN 0.785 nan 8.290 nan 0.000 0.541 247 A N 0.060 122.843 122.820 -0.062 0.000 2.386 247 A HA 0.572 4.892 4.320 0.000 0.000 0.248 247 A C 0.371 177.873 177.584 -0.138 0.000 1.082 247 A CA 0.041 52.029 52.037 -0.082 0.000 0.789 247 A CB 0.344 19.310 19.000 -0.057 0.000 1.025 247 A HN 0.094 nan 8.150 nan 0.000 0.490 248 T N 4.176 118.594 114.554 -0.227 0.000 2.728 248 T HA 0.342 4.692 4.350 0.000 0.000 0.296 248 T C -1.812 172.735 174.700 -0.254 0.000 0.940 248 T CA -0.769 61.092 62.100 -0.399 0.000 1.013 248 T CB 1.191 69.418 68.868 -1.067 0.000 0.912 248 T HN 0.437 nan 8.240 nan 0.000 0.484 249 P HA -0.163 nan 4.420 nan 0.000 0.215 249 P C 1.333 178.595 177.300 -0.063 0.000 1.163 249 P CA 1.074 64.116 63.100 -0.096 0.000 0.894 249 P CB 0.206 31.856 31.700 -0.083 0.000 0.791 250 D N -1.955 118.392 120.400 -0.088 0.000 2.178 250 D HA -0.133 4.507 4.640 0.000 0.000 0.201 250 D C 1.791 178.184 176.300 0.156 0.000 0.980 250 D CA 0.988 54.993 54.000 0.008 0.000 0.842 250 D CB -0.452 40.351 40.800 0.006 0.000 0.948 250 D HN 0.093 nan 8.370 nan 0.000 0.472 251 F N 0.841 120.751 119.950 -0.067 0.000 2.113 251 F HA -0.110 4.417 4.527 0.000 0.000 0.297 251 F C 2.553 178.297 175.800 -0.094 0.000 1.103 251 F CA 0.139 58.084 58.000 -0.093 0.000 1.248 251 F CB -1.188 37.719 39.000 -0.156 0.000 0.999 251 F HN -0.166 nan 8.300 nan 0.000 0.475 252 V N 0.355 120.336 119.914 0.112 0.000 2.261 252 V HA -0.299 3.821 4.120 0.000 0.000 0.246 252 V C 2.705 178.801 176.094 0.003 0.000 1.047 252 V CA 1.843 64.157 62.300 0.023 0.000 1.015 252 V CB -1.519 30.299 31.823 -0.008 0.000 0.642 252 V HN 0.314 nan 8.190 nan 0.000 0.446 253 A N 0.897 123.723 122.820 0.010 0.000 1.908 253 A HA -0.241 4.079 4.320 0.000 0.000 0.218 253 A C 2.556 180.137 177.584 -0.004 0.000 1.181 253 A CA 2.543 54.579 52.037 -0.001 0.000 0.627 253 A CB -0.887 18.114 19.000 0.002 0.000 0.818 253 A HN 0.713 nan 8.150 nan 0.000 0.445 254 S N -0.086 115.624 115.700 0.016 0.000 2.399 254 S HA -0.185 4.285 4.470 0.000 0.000 0.231 254 S C 1.414 175.987 174.600 -0.045 0.000 1.022 254 S CA 1.445 59.643 58.200 -0.003 0.000 0.983 254 S CB -0.474 62.739 63.200 0.021 0.000 0.803 254 S HN 0.554 nan 8.310 nan 0.000 0.480 255 D N 1.656 122.020 120.400 -0.061 0.000 2.149 255 D HA 0.087 4.727 4.640 0.000 0.000 0.201 255 D C 2.019 178.256 176.300 -0.105 0.000 0.972 255 D CA 0.798 54.729 54.000 -0.115 0.000 0.835 255 D CB -0.226 40.487 40.800 -0.145 0.000 0.966 255 D HN 0.391 nan 8.370 nan 0.000 0.476 256 L N 0.397 121.579 121.223 -0.069 0.000 2.056 256 L HA -0.120 4.220 4.340 0.000 0.000 0.207 256 L C 2.566 179.407 176.870 -0.048 0.000 1.078 256 L CA 0.653 55.461 54.840 -0.054 0.000 0.749 256 L CB -0.308 41.728 42.059 -0.038 0.000 0.901 256 L HN 0.011 nan 8.230 nan 0.000 0.433 257 L N -1.104 120.092 121.223 -0.046 0.000 2.156 257 L HA -0.144 4.196 4.340 0.000 0.000 0.208 257 L C 2.701 179.530 176.870 -0.068 0.000 1.095 257 L CA 0.719 55.532 54.840 -0.045 0.000 0.770 257 L CB -0.289 41.749 42.059 -0.035 0.000 0.914 257 L HN 0.179 nan 8.230 nan 0.000 0.439 258 S N -0.571 115.076 115.700 -0.088 0.000 2.356 258 S HA -0.270 4.200 4.470 0.000 0.000 0.223 258 S C 1.860 176.381 174.600 -0.132 0.000 1.032 258 S CA 1.445 59.569 58.200 -0.126 0.000 1.005 258 S CB -0.200 62.922 63.200 -0.131 0.000 0.867 258 S HN 0.355 nan 8.310 nan 0.000 0.449 259 Q N 1.655 121.410 119.800 -0.074 0.000 2.049 259 Q HA 0.135 4.475 4.340 0.000 0.000 0.198 259 Q C 2.110 178.135 176.000 0.042 0.000 0.971 259 Q CA 1.688 57.504 55.803 0.020 0.000 0.833 259 Q CB -0.792 27.937 28.738 -0.014 0.000 0.896 259 Q HN 0.442 nan 8.270 nan 0.000 0.434 260 A N 1.020 123.839 122.820 -0.002 0.000 1.978 260 A HA -0.241 4.079 4.320 0.000 0.000 0.220 260 A C 1.755 179.337 177.584 -0.003 0.000 1.170 260 A CA 1.859 53.899 52.037 0.005 0.000 0.636 260 A CB -0.846 18.149 19.000 -0.008 0.000 0.810 260 A HN 0.699 nan 8.150 nan 0.000 0.448 261 E N -1.710 118.458 120.200 -0.053 0.000 2.511 261 E HA -0.124 4.226 4.350 0.000 0.000 0.196 261 E C 1.225 177.773 176.600 -0.086 0.000 1.066 261 E CA 0.471 56.825 56.400 -0.077 0.000 0.871 261 E CB -0.358 29.273 29.700 -0.116 0.000 0.863 261 E HN 0.669 nan 8.360 nan 0.000 0.520 262 H N 0.905 119.961 119.070 -0.024 0.000 2.547 262 H HA 0.253 4.809 4.556 0.000 0.000 0.272 262 H C 0.654 175.976 175.328 -0.009 0.000 0.989 262 H CA 1.239 57.273 56.048 -0.025 0.000 1.214 262 H CB 0.862 30.603 29.762 -0.035 0.000 1.389 262 H HN 0.361 nan 8.280 nan 0.000 0.577 263 G N -0.171 108.694 108.800 0.109 0.000 2.386 263 G HA2 0.006 3.966 3.960 0.000 0.000 0.302 263 G HA3 0.006 3.966 3.960 0.000 0.000 0.302 263 G C -2.309 172.618 174.900 0.045 0.000 1.629 263 G CA -0.695 44.446 45.100 0.069 0.000 0.917 263 G HN -0.233 nan 8.290 nan 0.000 0.676 264 P HA 0.021 nan 4.420 nan 0.000 0.231 264 P C 0.220 177.533 177.300 0.021 0.000 1.158 264 P CA 0.964 64.078 63.100 0.024 0.000 0.763 264 P CB 0.437 32.149 31.700 0.021 0.000 0.805 265 D N -0.879 119.533 120.400 0.020 0.000 2.398 265 D HA 0.079 4.719 4.640 0.000 0.000 0.210 265 D C 0.316 176.631 176.300 0.025 0.000 1.094 265 D CA 0.136 54.143 54.000 0.011 0.000 0.839 265 D CB 0.371 41.162 40.800 -0.015 0.000 0.963 265 D HN 0.082 nan 8.370 nan 0.000 0.506 266 S N 1.453 117.177 115.700 0.040 0.000 2.563 266 S HA 0.027 4.497 4.470 0.000 0.000 0.284 266 S C 0.376 175.013 174.600 0.061 0.000 1.331 266 S CA 0.076 58.311 58.200 0.059 0.000 1.047 266 S CB 0.883 64.125 63.200 0.070 0.000 0.859 266 S HN 0.092 nan 8.310 nan 0.000 0.514 267 Q N 2.005 121.857 119.800 0.085 0.000 2.348 267 Q HA 0.449 4.789 4.340 0.000 0.000 0.265 267 Q C -0.557 175.482 176.000 0.064 0.000 0.998 267 Q CA -0.606 55.251 55.803 0.090 0.000 0.831 267 Q CB 1.491 30.328 28.738 0.166 0.000 1.251 267 Q HN 0.546 nan 8.270 nan 0.000 0.456 268 V N 0.991 120.918 119.914 0.021 0.000 2.487 268 V HA 0.761 4.881 4.120 0.000 0.000 0.298 268 V C -0.494 175.574 176.094 -0.044 0.000 1.028 268 V CA -0.663 61.634 62.300 -0.005 0.000 0.860 268 V CB 1.468 33.287 31.823 -0.007 0.000 0.991 268 V HN 0.648 nan 8.190 nan 0.000 0.427 269 I N 5.392 125.918 120.570 -0.074 0.000 2.647 269 I HA 0.619 4.789 4.170 0.000 0.000 0.295 269 I C -1.199 174.859 176.117 -0.099 0.000 1.078 269 I CA -0.843 60.388 61.300 -0.116 0.000 1.048 269 I CB 2.312 40.172 38.000 -0.233 0.000 1.239 269 I HN 0.677 nan 8.210 nan 0.000 0.421 270 L N 6.965 128.133 121.223 -0.092 0.000 2.381 270 L HA 0.650 4.990 4.340 0.000 0.000 0.274 270 L C -1.719 175.093 176.870 -0.097 0.000 0.988 270 L CA -0.211 54.581 54.840 -0.079 0.000 0.824 270 L CB 1.576 43.602 42.059 -0.054 0.000 1.263 270 L HN 0.454 nan 8.230 nan 0.000 0.410 271 L N 4.900 126.061 121.223 -0.104 0.000 2.342 271 L HA 0.636 4.976 4.340 0.000 0.000 0.276 271 L C -0.330 176.486 176.870 -0.090 0.000 0.997 271 L CA -0.335 54.429 54.840 -0.127 0.000 0.838 271 L CB 1.778 43.733 42.059 -0.174 0.000 1.224 271 L HN 0.714 nan 8.230 nan 0.000 0.416 272 T N 2.438 116.949 114.554 -0.072 0.000 2.912 272 T HA 0.476 4.826 4.350 0.000 0.000 0.299 272 T C -2.379 172.298 174.700 -0.039 0.000 1.052 272 T CA -1.538 60.531 62.100 -0.051 0.000 0.996 272 T CB 2.354 71.199 68.868 -0.039 0.000 1.070 272 T HN 0.176 nan 8.240 nan 0.000 0.465 273 P HA 0.259 nan 4.420 nan 0.000 0.231 273 P C -0.363 176.931 177.300 -0.009 0.000 1.168 273 P CA 0.174 63.263 63.100 -0.018 0.000 0.779 273 P CB 0.226 31.915 31.700 -0.017 0.000 0.844 274 A N -0.134 122.678 122.820 -0.014 0.000 2.252 274 A HA 0.587 4.907 4.320 0.000 0.000 0.309 274 A C 1.455 179.034 177.584 -0.008 0.000 1.285 274 A CA -0.064 51.967 52.037 -0.010 0.000 0.900 274 A CB 0.463 19.453 19.000 -0.016 0.000 1.157 274 A HN 0.094 nan 8.150 nan 0.000 0.536 275 A N 2.468 125.287 122.820 -0.002 0.000 1.972 275 A HA -0.045 4.275 4.320 0.000 0.000 0.219 275 A C 1.163 178.744 177.584 -0.005 0.000 1.169 275 A CA 1.715 53.753 52.037 0.001 0.000 0.635 275 A CB -0.550 18.453 19.000 0.006 0.000 0.810 275 A HN 0.853 nan 8.150 nan 0.000 0.446 279 R N 0.675 121.167 120.500 -0.012 0.000 2.083 279 R HA -0.078 4.262 4.340 0.000 0.000 0.237 279 R C 2.251 178.541 176.300 -0.016 0.000 1.137 279 R CA 1.816 57.909 56.100 -0.012 0.000 0.951 279 R CB -0.278 30.016 30.300 -0.010 0.000 0.851 279 R HN 0.526 nan 8.270 nan 0.000 0.434 280 R N 0.158 120.645 120.500 -0.021 0.000 2.096 280 R HA -0.083 4.257 4.340 0.000 0.000 0.235 280 R C 2.325 178.608 176.300 -0.028 0.000 1.127 280 R CA 1.251 57.335 56.100 -0.027 0.000 0.968 280 R CB -0.379 29.899 30.300 -0.036 0.000 0.861 280 R HN 0.059 nan 8.270 nan 0.000 0.440 281 V N 0.971 120.869 119.914 -0.028 0.000 2.358 281 V HA -0.224 3.896 4.120 0.000 0.000 0.246 281 V C 2.416 178.499 176.094 -0.019 0.000 1.047 281 V CA 1.909 64.194 62.300 -0.026 0.000 1.035 281 V CB -0.638 31.169 31.823 -0.027 0.000 0.658 281 V HN 0.412 nan 8.190 nan 0.000 0.452 282 A N -0.239 122.572 122.820 -0.016 0.000 1.902 282 A HA -0.256 4.064 4.320 0.000 0.000 0.217 282 A C 2.169 179.746 177.584 -0.011 0.000 1.181 282 A CA 1.986 54.016 52.037 -0.012 0.000 0.623 282 A CB -0.448 18.547 19.000 -0.009 0.000 0.818 282 A HN 0.634 nan 8.150 nan 0.000 0.443 283 E N -0.334 119.858 120.200 -0.013 0.000 2.106 283 E HA -0.054 4.296 4.350 0.000 0.000 0.192 283 E C 2.315 178.908 176.600 -0.012 0.000 0.984 283 E CA 0.816 57.209 56.400 -0.012 0.000 0.806 283 E CB -0.282 29.410 29.700 -0.013 0.000 0.750 283 E HN 0.615 nan 8.360 nan 0.000 0.458 284 A N 1.044 123.855 122.820 -0.015 0.000 1.902 284 A HA -0.144 4.176 4.320 0.000 0.000 0.217 284 A C 2.495 180.074 177.584 -0.008 0.000 1.181 284 A CA 1.088 53.117 52.037 -0.013 0.000 0.623 284 A CB -0.650 18.339 19.000 -0.018 0.000 0.818 284 A HN 0.115 nan 8.150 nan 0.000 0.443 285 V N 0.065 119.973 119.914 -0.009 0.000 2.343 285 V HA -0.233 3.887 4.120 0.000 0.000 0.247 285 V C 2.645 178.735 176.094 -0.007 0.000 1.051 285 V CA 2.452 64.747 62.300 -0.008 0.000 1.036 285 V CB -0.597 31.219 31.823 -0.011 0.000 0.654 285 V HN 0.726 nan 8.190 nan 0.000 0.451 286 E N 0.351 120.547 120.200 -0.006 0.000 2.072 286 E HA -0.177 4.173 4.350 0.000 0.000 0.191 286 E C 2.338 178.936 176.600 -0.004 0.000 0.985 286 E CA 1.201 57.598 56.400 -0.005 0.000 0.801 286 E CB -0.164 29.534 29.700 -0.004 0.000 0.750 286 E HN 0.334 nan 8.360 nan 0.000 0.452 287 R N 0.263 120.761 120.500 -0.004 0.000 2.075 287 R HA -0.050 4.290 4.340 0.000 0.000 0.232 287 R C 2.432 178.732 176.300 -0.000 0.000 1.126 287 R CA 1.496 57.594 56.100 -0.002 0.000 0.963 287 R CB -0.720 29.578 30.300 -0.003 0.000 0.858 287 R HN 0.426 nan 8.270 nan 0.000 0.435 288 Q N 0.305 120.105 119.800 0.000 0.000 2.119 288 Q HA -0.082 4.258 4.340 0.000 0.000 0.201 288 Q C 2.063 178.062 176.000 -0.002 0.000 0.972 288 Q CA 0.780 56.584 55.803 0.002 0.000 0.847 288 Q CB -0.162 28.578 28.738 0.004 0.000 0.903 288 Q HN 0.075 nan 8.270 nan 0.000 0.433 289 L N 0.629 121.849 121.223 -0.004 0.000 2.083 289 L HA -0.114 4.226 4.340 0.000 0.000 0.209 289 L C 2.061 178.929 176.870 -0.003 0.000 1.083 289 L CA 1.880 56.717 54.840 -0.005 0.000 0.752 289 L CB -0.607 41.449 42.059 -0.005 0.000 0.899 289 L HN 0.109 nan 8.230 nan 0.000 0.433 290 A N -1.295 121.524 122.820 -0.002 0.000 2.125 290 A HA -0.155 4.165 4.320 0.000 0.000 0.219 290 A C 2.073 179.657 177.584 -0.000 0.000 1.156 290 A CA 1.611 53.647 52.037 -0.001 0.000 0.671 290 A CB -0.464 18.536 19.000 -0.000 0.000 0.794 290 A HN 0.647 nan 8.150 nan 0.000 0.459 291 E N -0.735 119.465 120.200 -0.000 0.000 2.472 291 E HA 0.186 4.536 4.350 0.000 0.000 0.196 291 E C -0.419 176.181 176.600 -0.001 0.000 1.033 291 E CA -0.337 56.063 56.400 0.000 0.000 0.886 291 E CB 0.125 29.827 29.700 0.003 0.000 0.944 291 E HN 0.516 nan 8.360 nan 0.000 0.492 292 L N 2.636 123.857 121.223 -0.004 0.000 2.433 292 L HA 0.068 4.408 4.340 0.000 0.000 0.275 292 L C -1.458 175.410 176.870 -0.004 0.000 1.128 292 L CA -1.303 53.533 54.840 -0.007 0.000 0.875 292 L CB 0.161 42.213 42.059 -0.011 0.000 1.171 292 L HN -0.133 nan 8.230 nan 0.000 0.463 293 P HA -0.196 nan 4.420 nan 0.000 0.214 293 P C -0.266 177.033 177.300 -0.000 0.000 1.164 293 P CA 1.617 64.716 63.100 -0.001 0.000 0.942 293 P CB 0.129 31.829 31.700 -0.001 0.000 0.791 294 R N -1.494 119.005 120.500 -0.001 0.000 2.513 294 R HA 0.709 5.049 4.340 0.000 0.000 0.283 294 R C -0.485 175.813 176.300 -0.003 0.000 1.535 294 R CA -0.437 55.664 56.100 0.000 0.000 1.315 294 R CB 0.702 31.004 30.300 0.004 0.000 1.163 294 R HN -0.069 nan 8.270 nan 0.000 0.573 295 A N 2.222 125.040 122.820 -0.003 0.000 2.708 295 A HA 0.195 4.515 4.320 0.000 0.000 0.293 295 A C 0.649 178.232 177.584 -0.002 0.000 1.303 295 A CA -0.479 51.554 52.037 -0.006 0.000 0.949 295 A CB 0.051 19.046 19.000 -0.009 0.000 1.121 295 A HN 0.725 nan 8.150 nan 0.000 0.542 296 E N -0.614 119.587 120.200 0.002 0.000 2.110 296 E HA -0.117 4.233 4.350 0.000 0.000 0.193 296 E C 1.757 178.361 176.600 0.007 0.000 0.988 296 E CA 1.901 58.304 56.400 0.005 0.000 0.804 296 E CB -0.236 29.469 29.700 0.008 0.000 0.745 296 E HN 0.486 nan 8.360 nan 0.000 0.458 297 T N 0.601 115.160 114.554 0.007 0.000 2.674 297 T HA -0.198 4.152 4.350 0.000 0.000 0.265 297 T C 2.009 176.713 174.700 0.007 0.000 1.039 297 T CA 1.462 63.568 62.100 0.010 0.000 1.150 297 T CB -0.450 68.424 68.868 0.011 0.000 0.864 297 T HN 0.303 nan 8.240 nan 0.000 0.427 298 A N 1.535 124.353 122.820 -0.002 0.000 1.908 298 A HA -0.179 4.141 4.320 0.000 0.000 0.218 298 A C 2.247 179.830 177.584 -0.001 0.000 1.181 298 A CA 2.274 54.307 52.037 -0.006 0.000 0.627 298 A CB -0.651 18.339 19.000 -0.016 0.000 0.818 298 A HN 0.428 nan 8.150 nan 0.000 0.445 299 R N -0.783 119.717 120.500 0.000 0.000 2.080 299 R HA -0.234 4.106 4.340 0.000 0.000 0.236 299 R C 2.431 178.735 176.300 0.005 0.000 1.137 299 R CA 2.149 58.250 56.100 0.002 0.000 0.943 299 R CB -0.399 29.903 30.300 0.003 0.000 0.846 299 R HN 0.521 nan 8.270 nan 0.000 0.431 300 Q N 0.202 120.006 119.800 0.008 0.000 2.084 300 Q HA -0.054 4.286 4.340 0.000 0.000 0.202 300 Q C 1.838 177.846 176.000 0.013 0.000 0.978 300 Q CA 2.254 58.063 55.803 0.011 0.000 0.844 300 Q CB -0.520 28.225 28.738 0.013 0.000 0.898 300 Q HN 0.442 nan 8.270 nan 0.000 0.426 301 A N 0.177 123.005 122.820 0.014 0.000 1.933 301 A HA -0.110 4.210 4.320 0.000 0.000 0.218 301 A C 2.103 179.696 177.584 0.014 0.000 1.175 301 A CA 1.394 53.441 52.037 0.018 0.000 0.628 301 A CB -0.739 18.274 19.000 0.021 0.000 0.814 301 A HN 0.463 nan 8.150 nan 0.000 0.444 302 L N -0.098 121.130 121.223 0.008 0.000 2.275 302 L HA -0.144 4.196 4.340 0.000 0.000 0.215 302 L C 1.921 178.795 176.870 0.007 0.000 1.119 302 L CA 0.545 55.388 54.840 0.005 0.000 0.790 302 L CB -0.581 41.479 42.059 0.000 0.000 0.919 302 L HN 0.390 nan 8.230 nan 0.000 0.443 303 N N 0.573 119.279 118.700 0.010 0.000 2.364 303 N HA -0.111 4.629 4.740 0.000 0.000 0.183 303 N C 1.443 176.961 175.510 0.014 0.000 1.022 303 N CA 1.371 54.427 53.050 0.011 0.000 0.883 303 N CB 0.102 38.596 38.487 0.011 0.000 0.965 303 N HN 0.307 nan 8.380 nan 0.000 0.438 304 A N 0.359 123.189 122.820 0.017 0.000 2.465 304 A HA 0.164 4.484 4.320 0.000 0.000 0.255 304 A C 0.857 178.452 177.584 0.019 0.000 1.274 304 A CA -0.377 51.674 52.037 0.023 0.000 0.920 304 A CB -0.063 18.956 19.000 0.031 0.000 1.033 304 A HN 0.236 nan 8.150 nan 0.000 0.516 305 S N -0.059 115.647 115.700 0.010 0.000 2.600 305 S HA 0.613 5.083 4.470 0.000 0.000 0.265 305 S C -0.057 174.540 174.600 -0.004 0.000 1.325 305 S CA -0.349 57.850 58.200 -0.001 0.000 1.002 305 S CB 0.811 64.008 63.200 -0.006 0.000 0.921 305 S HN 0.412 nan 8.310 nan 0.000 0.554 306 R N 0.573 121.060 120.500 -0.021 0.000 2.502 306 R HA 0.406 4.746 4.340 0.000 0.000 0.298 306 R C -1.371 174.911 176.300 -0.029 0.000 1.018 306 R CA -0.289 55.801 56.100 -0.016 0.000 0.899 306 R CB 1.423 31.709 30.300 -0.023 0.000 1.181 306 R HN 0.609 nan 8.270 nan 0.000 0.444 307 L N 5.743 126.959 121.223 -0.011 0.000 2.321 307 L HA 0.492 4.832 4.340 0.000 0.000 0.272 307 L C -0.380 176.490 176.870 0.001 0.000 1.050 307 L CA -0.425 54.405 54.840 -0.017 0.000 0.893 307 L CB 0.585 42.637 42.059 -0.011 0.000 1.272 307 L HN 0.501 nan 8.230 nan 0.000 0.435 308 I N 2.889 123.451 120.570 -0.013 0.000 2.315 308 I HA 0.262 4.432 4.170 0.000 0.000 0.291 308 I C 0.071 176.188 176.117 -0.001 0.000 1.006 308 I CA -0.746 60.566 61.300 0.019 0.000 1.265 308 I CB 1.971 39.969 38.000 -0.003 0.000 1.387 308 I HN 0.148 nan 8.210 nan 0.000 0.475 309 V N 5.805 125.746 119.914 0.045 0.000 2.432 309 V HA 0.286 4.406 4.120 0.000 0.000 0.275 309 V C 0.671 176.802 176.094 0.062 0.000 1.043 309 V CA -0.274 62.045 62.300 0.033 0.000 0.925 309 V CB 1.189 33.036 31.823 0.040 0.000 0.985 309 V HN 0.927 nan 8.190 nan 0.000 0.466 310 T N 1.531 116.092 114.554 0.011 0.000 2.870 310 T HA 0.397 4.747 4.350 0.000 0.000 0.277 310 T C 0.938 175.660 174.700 0.036 0.000 1.000 310 T CA -0.539 61.572 62.100 0.018 0.000 0.982 310 T CB 1.699 70.507 68.868 -0.100 0.000 1.249 310 T HN 0.497 nan 8.240 nan 0.000 0.589 311 K N 0.264 120.692 120.400 0.047 0.000 2.116 311 K HA 0.033 4.353 4.320 0.000 0.000 0.203 311 K C -0.309 176.300 176.600 0.016 0.000 1.052 311 K CA 1.390 57.702 56.287 0.042 0.000 0.952 311 K CB -0.091 32.444 32.500 0.058 0.000 0.729 311 K HN 0.861 nan 8.250 nan 0.000 0.446 312 D N -2.782 117.617 120.400 -0.001 0.000 2.738 312 D HA 0.019 4.659 4.640 0.000 0.000 0.308 312 D C 0.509 176.792 176.300 -0.027 0.000 1.311 312 D CA -0.700 53.294 54.000 -0.010 0.000 0.799 312 D CB 0.113 40.912 40.800 -0.001 0.000 1.332 312 D HN -0.108 nan 8.370 nan 0.000 0.441 313 L N 0.009 121.218 121.223 -0.024 0.000 2.131 313 L HA -0.048 4.292 4.340 0.000 0.000 0.210 313 L C 2.495 179.344 176.870 -0.035 0.000 1.092 313 L CA 1.714 56.535 54.840 -0.032 0.000 0.759 313 L CB -0.643 41.403 42.059 -0.022 0.000 0.903 313 L HN 0.660 nan 8.230 nan 0.000 0.435 314 A N -0.312 122.494 122.820 -0.022 0.000 1.908 314 A HA -0.317 4.003 4.320 0.000 0.000 0.218 314 A C 2.262 179.827 177.584 -0.032 0.000 1.181 314 A CA 2.077 54.103 52.037 -0.018 0.000 0.627 314 A CB -0.584 18.413 19.000 -0.005 0.000 0.818 314 A HN 0.492 nan 8.150 nan 0.000 0.445 315 Q N -1.098 118.678 119.800 -0.041 0.000 2.167 315 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 315 Q C 2.095 178.004 176.000 -0.151 0.000 0.970 315 Q CA 1.607 57.366 55.803 -0.073 0.000 0.855 315 Q CB -0.357 28.349 28.738 -0.054 0.000 0.911 315 Q HN 0.724 nan 8.270 nan 0.000 0.438 316 C N -0.811 118.410 119.300 -0.132 0.000 2.436 316 C HA -0.104 4.356 4.460 0.000 0.000 0.277 316 C C 2.569 177.485 174.990 -0.123 0.000 1.241 316 C CA 0.660 59.585 59.018 -0.155 0.000 1.721 316 C CB -0.871 26.805 27.740 -0.106 0.000 2.043 316 C HN 0.406 nan 8.230 nan 0.000 0.472 317 V N 0.866 120.735 119.914 -0.074 0.000 2.332 317 V HA -0.252 3.868 4.120 0.000 0.000 0.248 317 V C 2.503 178.571 176.094 -0.044 0.000 1.055 317 V CA 2.316 64.589 62.300 -0.045 0.000 1.038 317 V CB -0.784 31.025 31.823 -0.023 0.000 0.651 317 V HN 0.641 nan 8.190 nan 0.000 0.450 318 E N 0.087 120.256 120.200 -0.052 0.000 2.058 318 E HA -0.238 4.112 4.350 0.000 0.000 0.194 318 E C 2.202 178.772 176.600 -0.050 0.000 0.997 318 E CA 1.892 58.272 56.400 -0.034 0.000 0.801 318 E CB -0.167 29.521 29.700 -0.020 0.000 0.746 318 E HN 0.625 nan 8.360 nan 0.000 0.450 319 I N 0.469 120.957 120.570 -0.137 0.000 2.252 319 I HA -0.238 3.933 4.170 0.000 0.000 0.245 319 I C 2.783 178.847 176.117 -0.088 0.000 1.102 319 I CA 1.014 62.197 61.300 -0.195 0.000 1.385 319 I CB -0.351 37.350 38.000 -0.498 0.000 1.064 319 I HN 0.128 nan 8.210 nan 0.000 0.414 320 S N 1.065 116.718 115.700 -0.079 0.000 2.356 320 S HA -0.196 4.274 4.470 0.000 0.000 0.223 320 S C 1.927 176.563 174.600 0.060 0.000 1.032 320 S CA 1.770 59.972 58.200 0.003 0.000 1.005 320 S CB -0.310 62.885 63.200 -0.009 0.000 0.867 320 S HN 0.395 nan 8.310 nan 0.000 0.449 321 N N 1.138 119.853 118.700 0.026 0.000 2.149 321 N HA -0.125 4.615 4.740 0.000 0.000 0.188 321 N C 1.822 177.356 175.510 0.039 0.000 1.019 321 N CA 1.409 54.478 53.050 0.031 0.000 0.857 321 N CB -0.715 37.781 38.487 0.016 0.000 0.997 321 N HN 0.528 nan 8.380 nan 0.000 0.426 322 Q N -0.147 119.682 119.800 0.049 0.000 2.167 322 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 322 Q C 1.859 177.905 176.000 0.078 0.000 0.970 322 Q CA 1.266 57.103 55.803 0.057 0.000 0.855 322 Q CB -0.461 28.323 28.738 0.076 0.000 0.911 322 Q HN 0.548 nan 8.270 nan 0.000 0.438 323 Y N -0.477 119.809 120.300 -0.023 0.000 2.206 323 Y HA 0.122 4.672 4.550 0.000 0.000 0.292 323 Y C 1.033 176.919 175.900 -0.023 0.000 1.123 323 Y CA 1.357 59.443 58.100 -0.023 0.000 1.142 323 Y CB 0.031 38.475 38.460 -0.026 0.000 1.006 323 Y HN 0.240 nan 8.280 nan 0.000 0.518 324 G N 2.301 111.138 108.800 0.061 0.000 2.422 324 G HA2 -0.221 3.739 3.960 0.000 0.000 0.290 324 G HA3 -0.221 3.739 3.960 0.000 0.000 0.290 324 G C -2.597 172.289 174.900 -0.022 0.000 1.059 324 G CA -0.068 45.025 45.100 -0.012 0.000 1.242 324 G HN 0.392 nan 8.290 nan 0.000 0.520 325 P HA 0.157 nan 4.420 nan 0.000 0.275 325 P C 0.936 178.296 177.300 0.099 0.000 1.228 325 P CA -0.217 63.026 63.100 0.238 0.000 0.786 325 P CB 1.458 33.362 31.700 0.340 0.000 0.927 326 E N 1.867 122.101 120.200 0.057 0.000 2.049 326 E HA -0.184 4.166 4.350 0.000 0.000 0.198 326 E C 0.072 176.573 176.600 -0.166 0.000 1.007 326 E CA 1.201 57.541 56.400 -0.098 0.000 0.809 326 E CB 0.008 29.605 29.700 -0.173 0.000 0.749 326 E HN 0.572 nan 8.360 nan 0.000 0.450 327 H N -0.312 118.842 119.070 0.141 0.000 2.505 327 H HA 0.317 4.873 4.556 0.000 0.000 0.338 327 H C -0.914 174.503 175.328 0.148 0.000 1.057 327 H CA -0.763 55.393 56.048 0.180 0.000 1.202 327 H CB 1.519 31.322 29.762 0.069 0.000 1.466 327 H HN 0.061 nan 8.280 nan 0.000 0.499 328 L N 4.938 126.352 121.223 0.318 0.000 2.298 328 L HA 0.436 4.776 4.340 0.000 0.000 0.284 328 L C -1.020 175.998 176.870 0.246 0.000 1.013 328 L CA -0.356 54.609 54.840 0.209 0.000 0.824 328 L CB 0.570 42.721 42.059 0.153 0.000 1.221 328 L HN 0.505 nan 8.230 nan 0.000 0.418 329 I N 6.538 127.182 120.570 0.124 0.000 2.362 329 I HA 0.371 4.541 4.170 0.000 0.000 0.289 329 I C -0.490 175.660 176.117 0.055 0.000 0.994 329 I CA -0.425 60.931 61.300 0.093 0.000 1.158 329 I CB 1.585 39.557 38.000 -0.047 0.000 1.315 329 I HN 0.519 nan 8.210 nan 0.000 0.451 330 I N 6.583 127.194 120.570 0.069 0.000 2.388 330 I HA 0.222 4.392 4.170 0.000 0.000 0.281 330 I C -0.075 176.047 176.117 0.009 0.000 1.046 330 I CA -0.267 61.052 61.300 0.031 0.000 1.187 330 I CB 0.734 38.755 38.000 0.036 0.000 1.351 330 I HN 0.560 nan 8.210 nan 0.000 0.472 331 Q N 5.360 125.154 119.800 -0.010 0.000 3.008 331 Q HA 0.218 4.559 4.340 0.000 0.000 0.307 331 Q C -0.056 175.929 176.000 -0.026 0.000 1.273 331 Q CA -0.329 55.458 55.803 -0.027 0.000 1.091 331 Q CB 0.752 29.472 28.738 -0.030 0.000 1.393 331 Q HN 0.720 nan 8.270 nan 0.000 0.521 332 T N -3.996 110.548 114.554 -0.017 0.000 2.916 332 T HA 0.375 4.725 4.350 0.000 0.000 0.292 332 T C 0.701 175.397 174.700 -0.006 0.000 1.064 332 T CA -0.948 61.144 62.100 -0.014 0.000 1.011 332 T CB 2.033 70.894 68.868 -0.010 0.000 1.152 332 T HN 0.337 nan 8.240 nan 0.000 0.510 333 R N 1.011 121.509 120.500 -0.003 0.000 2.091 333 R HA -0.100 4.240 4.340 0.000 0.000 0.238 333 R C 1.083 177.391 176.300 0.013 0.000 1.136 333 R CA 2.041 58.145 56.100 0.007 0.000 0.959 333 R CB -0.231 30.073 30.300 0.007 0.000 0.856 333 R HN 0.798 nan 8.270 nan 0.000 0.437 334 N N -0.192 118.513 118.700 0.010 0.000 2.546 334 N HA 0.106 4.846 4.740 0.000 0.000 0.286 334 N C 0.493 176.010 175.510 0.013 0.000 1.259 334 N CA 0.492 53.550 53.050 0.013 0.000 0.939 334 N CB 0.818 39.311 38.487 0.010 0.000 1.243 334 N HN 0.209 nan 8.380 nan 0.000 0.511 335 A N 2.110 124.938 122.820 0.014 0.000 1.863 335 A HA -0.296 4.024 4.320 0.000 0.000 0.218 335 A C 2.230 179.825 177.584 0.018 0.000 1.233 335 A CA 2.004 54.051 52.037 0.016 0.000 0.655 335 A CB -0.840 18.171 19.000 0.019 0.000 0.839 335 A HN 0.503 nan 8.150 nan 0.000 0.454 336 R N -0.826 119.686 120.500 0.020 0.000 2.139 336 R HA -0.213 4.127 4.340 0.000 0.000 0.243 336 R C 1.927 178.236 176.300 0.014 0.000 1.145 336 R CA 1.876 57.986 56.100 0.017 0.000 0.976 336 R CB -0.265 30.046 30.300 0.019 0.000 0.866 336 R HN 0.536 nan 8.270 nan 0.000 0.449 337 E N 0.377 120.585 120.200 0.014 0.000 2.160 337 E HA -0.164 4.186 4.350 0.000 0.000 0.195 337 E C 1.752 178.358 176.600 0.010 0.000 0.991 337 E CA 1.059 57.466 56.400 0.012 0.000 0.810 337 E CB -0.082 29.625 29.700 0.011 0.000 0.742 337 E HN 0.416 nan 8.360 nan 0.000 0.466 338 L N -0.755 120.474 121.223 0.010 0.000 2.179 338 L HA -0.085 4.255 4.340 0.000 0.000 0.208 338 L C 2.165 179.042 176.870 0.011 0.000 1.096 338 L CA 0.287 55.132 54.840 0.008 0.000 0.779 338 L CB -0.416 41.647 42.059 0.007 0.000 0.922 338 L HN 0.027 nan 8.230 nan 0.000 0.443 339 V N 0.902 120.824 119.914 0.013 0.000 2.277 339 V HA -0.404 3.716 4.120 0.000 0.000 0.255 339 V C 1.997 178.098 176.094 0.013 0.000 1.074 339 V CA 2.507 64.815 62.300 0.014 0.000 1.058 339 V CB -0.751 31.079 31.823 0.012 0.000 0.656 339 V HN 0.499 nan 8.190 nan 0.000 0.449 340 D N -0.178 120.229 120.400 0.011 0.000 2.158 340 D HA -0.148 4.492 4.640 0.000 0.000 0.197 340 D C 2.211 178.516 176.300 0.010 0.000 0.995 340 D CA 1.651 55.657 54.000 0.010 0.000 0.846 340 D CB -0.243 40.563 40.800 0.009 0.000 0.941 340 D HN 0.422 nan 8.370 nan 0.000 0.456 341 S N -0.165 115.540 115.700 0.009 0.000 2.522 341 S HA 0.031 4.501 4.470 0.000 0.000 0.227 341 S C 0.688 175.293 174.600 0.009 0.000 0.986 341 S CA 0.107 58.312 58.200 0.008 0.000 0.929 341 S CB 0.195 63.398 63.200 0.005 0.000 0.769 341 S HN 0.189 nan 8.310 nan 0.000 0.529 342 I N 3.625 124.203 120.570 0.013 0.000 2.347 342 I HA 0.069 4.239 4.170 0.000 0.000 0.294 342 I C 1.641 177.768 176.117 0.017 0.000 1.090 342 I CA 0.296 61.607 61.300 0.017 0.000 1.314 342 I CB 0.032 38.046 38.000 0.023 0.000 1.423 342 I HN 0.205 nan 8.210 nan 0.000 0.503 343 T N 0.827 115.391 114.554 0.016 0.000 3.057 343 T HA 0.077 4.427 4.350 0.000 0.000 0.254 343 T C 0.774 175.483 174.700 0.015 0.000 1.094 343 T CA -0.075 62.033 62.100 0.014 0.000 1.088 343 T CB 0.319 69.194 68.868 0.011 0.000 0.934 343 T HN 0.439 nan 8.240 nan 0.000 0.497 344 S N 0.048 115.759 115.700 0.019 0.000 2.689 344 S HA 0.697 5.167 4.470 0.000 0.000 0.274 344 S C -1.424 173.195 174.600 0.030 0.000 1.176 344 S CA -0.116 58.095 58.200 0.018 0.000 1.014 344 S CB 0.872 64.076 63.200 0.006 0.000 1.071 344 S HN 0.979 nan 8.310 nan 0.000 0.478 345 A N 2.943 125.783 122.820 0.033 0.000 2.583 345 A HA 0.671 4.991 4.320 0.000 0.000 0.298 345 A C 0.726 178.333 177.584 0.039 0.000 1.055 345 A CA -0.214 51.852 52.037 0.048 0.000 0.714 345 A CB 0.223 19.265 19.000 0.069 0.000 1.277 345 A HN 1.129 nan 8.150 nan 0.000 0.406 346 G N 0.249 109.066 108.800 0.029 0.000 2.434 346 G HA2 0.324 4.284 3.960 0.000 0.000 0.214 346 G HA3 0.324 4.284 3.960 0.000 0.000 0.214 346 G C 0.732 175.653 174.900 0.035 0.000 1.202 346 G CA 1.513 46.622 45.100 0.014 0.000 0.788 346 G HN 1.611 nan 8.290 nan 0.000 0.539 347 S N -1.382 114.361 115.700 0.071 0.000 2.572 347 S HA 0.530 5.000 4.470 0.000 0.000 0.274 347 S C -1.129 173.548 174.600 0.129 0.000 1.150 347 S CA -0.672 57.564 58.200 0.060 0.000 0.944 347 S CB 1.826 65.075 63.200 0.081 0.000 1.071 347 S HN 0.172 nan 8.310 nan 0.000 0.479 348 V N 4.937 124.836 119.914 -0.025 0.000 2.483 348 V HA 0.637 4.757 4.120 0.000 0.000 0.295 348 V C -1.103 174.920 176.094 -0.118 0.000 1.035 348 V CA -0.537 61.799 62.300 0.060 0.000 0.896 348 V CB 1.051 32.894 31.823 0.033 0.000 0.986 348 V HN 0.782 nan 8.190 nan 0.000 0.447 349 F N 4.465 124.429 119.950 0.022 0.000 2.467 349 F HA 0.675 5.202 4.527 0.000 0.000 0.336 349 F C -0.097 175.699 175.800 -0.007 0.000 1.123 349 F CA -0.773 57.229 58.000 0.004 0.000 0.964 349 F CB 1.475 40.476 39.000 0.002 0.000 1.136 349 F HN 0.172 nan 8.300 nan 0.000 0.447 350 L N 2.934 124.227 121.223 0.117 0.000 2.322 350 L HA 0.872 5.212 4.340 0.000 0.000 0.281 350 L C 0.471 177.368 176.870 0.045 0.000 1.014 350 L CA -0.696 54.184 54.840 0.067 0.000 0.815 350 L CB 1.396 43.477 42.059 0.036 0.000 1.247 350 L HN 0.872 nan 8.230 nan 0.000 0.421 351 G N 2.149 110.954 108.800 0.009 0.000 2.796 351 G HA2 -0.209 3.751 3.960 0.000 0.000 0.571 351 G HA3 -0.209 3.751 3.960 0.000 0.000 0.571 351 G C 0.001 174.792 174.900 -0.181 0.000 1.370 351 G CA -0.245 44.824 45.100 -0.051 0.000 0.856 351 G HN 0.683 nan 8.290 nan 0.000 0.538 352 D N -0.381 119.763 120.400 -0.427 0.000 2.269 352 D HA -0.001 4.639 4.640 0.000 0.000 0.208 352 D C 1.556 177.228 176.300 -1.048 0.000 0.963 352 D CA 1.561 55.090 54.000 -0.785 0.000 0.864 352 D CB -0.006 40.123 40.800 -1.118 0.000 0.936 352 D HN 0.520 nan 8.370 nan 0.000 0.505 353 W N 0.707 121.980 121.300 -0.046 0.000 3.015 353 W HA 0.279 4.940 4.660 0.000 0.000 0.429 353 W C 0.194 176.689 176.519 -0.040 0.000 0.976 353 W CA -0.388 56.902 57.345 -0.092 0.000 2.086 353 W CB 0.153 29.583 29.460 -0.049 0.000 1.125 353 W HN -0.301 nan 8.180 nan 0.000 0.721 354 S N 2.626 118.358 115.700 0.054 0.000 2.078 354 S HA 0.203 4.673 4.470 0.000 0.000 0.168 354 S C -2.185 172.501 174.600 0.143 0.000 1.542 354 S CA -0.915 57.375 58.200 0.151 0.000 1.223 354 S CB 0.126 63.439 63.200 0.189 0.000 1.152 354 S HN -0.082 nan 8.310 nan 0.000 0.452 355 P HA 0.068 nan 4.420 nan 0.000 0.269 355 P C 0.787 178.009 177.300 -0.130 0.000 1.215 355 P CA -0.128 62.923 63.100 -0.082 0.000 0.780 355 P CB 0.991 32.645 31.700 -0.076 0.000 0.898 356 E N 1.293 121.240 120.200 -0.422 0.000 2.130 356 E HA -0.216 4.134 4.350 0.000 0.000 0.196 356 E C 1.894 178.385 176.600 -0.181 0.000 0.998 356 E CA 1.549 57.532 56.400 -0.694 0.000 0.806 356 E CB -0.217 29.087 29.700 -0.661 0.000 0.738 356 E HN 0.407 nan 8.360 nan 0.000 0.459 357 S N -0.534 115.127 115.700 -0.066 0.000 2.383 357 S HA -0.205 4.265 4.470 0.000 0.000 0.229 357 S C 1.935 176.673 174.600 0.229 0.000 1.030 357 S CA 1.275 59.539 58.200 0.107 0.000 1.002 357 S CB -0.311 62.956 63.200 0.112 0.000 0.829 357 S HN 0.475 nan 8.310 nan 0.000 0.467 358 A N 0.531 123.465 122.820 0.191 0.000 1.933 358 A HA 0.120 4.440 4.320 0.000 0.000 0.218 358 A C 2.296 180.026 177.584 0.243 0.000 1.175 358 A CA 1.751 53.917 52.037 0.214 0.000 0.628 358 A CB -1.405 17.703 19.000 0.180 0.000 0.814 358 A HN 0.612 nan 8.150 nan 0.000 0.444 359 G N -0.670 108.349 108.800 0.365 0.000 2.430 359 G HA2 -0.116 3.844 3.960 0.000 0.000 0.216 359 G HA3 -0.116 3.844 3.960 0.000 0.000 0.216 359 G C 1.069 176.114 174.900 0.242 0.000 1.146 359 G CA 0.995 46.288 45.100 0.321 0.000 0.793 359 G HN 0.421 nan 8.290 nan 0.000 0.537 360 D N -0.310 120.196 120.400 0.177 0.000 2.178 360 D HA -0.054 4.586 4.640 0.000 0.000 0.201 360 D C 1.644 177.904 176.300 -0.068 0.000 0.980 360 D CA 1.029 55.028 54.000 -0.002 0.000 0.842 360 D CB -0.012 40.548 40.800 -0.400 0.000 0.948 360 D HN 0.535 nan 8.370 nan 0.000 0.472 361 Y N -1.098 119.314 120.300 0.187 0.000 2.664 361 Y HA 0.414 4.964 4.550 0.000 0.000 0.278 361 Y C 1.821 177.783 175.900 0.104 0.000 1.130 361 Y CA 0.330 58.513 58.100 0.138 0.000 1.260 361 Y CB 0.582 39.102 38.460 0.100 0.000 1.369 361 Y HN -0.071 nan 8.280 nan 0.000 0.499 362 A N -0.959 122.013 122.820 0.252 0.000 2.606 362 A HA 0.143 4.463 4.320 0.000 0.000 0.230 362 A C 1.726 179.362 177.584 0.088 0.000 1.279 362 A CA 0.550 52.680 52.037 0.155 0.000 1.010 362 A CB -0.655 18.428 19.000 0.138 0.000 1.271 362 A HN 0.220 nan 8.150 nan 0.000 0.584 363 S N -0.666 115.072 115.700 0.064 0.000 2.382 363 S HA 0.247 4.717 4.470 0.000 0.000 0.228 363 S C 1.679 176.241 174.600 -0.064 0.000 1.027 363 S CA 2.031 60.222 58.200 -0.015 0.000 0.991 363 S CB -0.233 62.926 63.200 -0.068 0.000 0.823 363 S HN 1.939 nan 8.310 nan 0.000 0.469 364 G N 0.257 109.030 108.800 -0.044 0.000 2.336 364 G HA2 -0.132 3.829 3.960 0.000 0.000 0.194 364 G HA3 -0.132 3.829 3.960 0.000 0.000 0.194 364 G C 0.306 175.173 174.900 -0.056 0.000 0.999 364 G CA 0.135 45.228 45.100 -0.012 0.000 0.669 364 G HN 1.174 nan 8.290 nan 0.000 0.482 365 T N -0.450 113.943 114.554 -0.268 0.000 2.828 365 T HA 0.510 4.860 4.350 0.000 0.000 0.290 365 T C 0.188 174.952 174.700 0.106 0.000 1.019 365 T CA -0.108 61.839 62.100 -0.255 0.000 1.031 365 T CB 1.645 70.286 68.868 -0.379 0.000 1.001 365 T HN 0.224 nan 8.240 nan 0.000 0.531 366 N N 0.568 119.414 118.700 0.243 0.000 2.499 366 N HA 0.050 4.790 4.740 0.000 0.000 0.281 366 N C 0.966 176.589 175.510 0.188 0.000 1.098 366 N CA -0.381 52.809 53.050 0.235 0.000 0.979 366 N CB 0.709 39.404 38.487 0.347 0.000 1.121 366 N HN 0.991 nan 8.380 nan 0.000 0.466 367 H N 0.729 119.878 119.070 0.131 0.000 2.529 367 H HA 0.207 4.763 4.556 0.000 0.000 0.277 367 H C -0.360 175.026 175.328 0.097 0.000 1.004 367 H CA -0.316 55.805 56.048 0.121 0.000 1.167 367 H CB 0.356 30.155 29.762 0.062 0.000 1.445 367 H HN 0.032 nan 8.280 nan 0.000 0.554 368 V N 3.305 123.408 119.914 0.315 0.000 2.322 368 V HA 0.186 4.306 4.120 0.000 0.000 0.258 368 V C -0.159 176.034 176.094 0.165 0.000 1.074 368 V CA -0.126 62.324 62.300 0.249 0.000 0.909 368 V CB 0.287 32.242 31.823 0.220 0.000 1.090 368 V HN 0.298 nan 8.190 nan 0.000 0.486 369 L N 6.893 128.180 121.223 0.106 0.000 2.323 369 L HA 0.664 5.004 4.340 0.000 0.000 0.265 369 L C -2.245 174.646 176.870 0.034 0.000 1.012 369 L CA -2.038 52.832 54.840 0.050 0.000 0.820 369 L CB 2.514 44.554 42.059 -0.032 0.000 1.334 369 L HN 0.331 nan 8.230 nan 0.000 0.427 370 P HA 0.170 nan 4.420 nan 0.000 0.275 370 P C -0.755 176.591 177.300 0.076 0.000 1.227 370 P CA 0.027 63.176 63.100 0.081 0.000 0.781 370 P CB 1.903 33.653 31.700 0.083 0.000 0.906 371 T N 0.946 115.594 114.554 0.155 0.000 2.618 371 T HA 0.271 4.621 4.350 0.000 0.000 0.286 371 T C -0.500 174.296 174.700 0.160 0.000 1.027 371 T CA -0.522 61.644 62.100 0.111 0.000 1.063 371 T CB -0.029 68.893 68.868 0.090 0.000 1.440 371 T HN 0.464 nan 8.240 nan 0.000 0.505 372 Y N 0.085 120.318 120.300 -0.112 0.000 4.079 372 Y HA -0.285 4.266 4.550 0.000 0.000 0.223 372 Y C 1.054 176.685 175.900 -0.448 0.000 1.155 372 Y CA 1.216 59.171 58.100 -0.242 0.000 1.805 372 Y CB -1.183 37.154 38.460 -0.205 0.000 1.571 372 Y HN 1.373 nan 8.280 nan 0.000 0.654 373 G N -1.237 107.337 108.800 -0.377 0.000 2.199 373 G HA2 -0.414 3.546 3.960 0.000 0.000 0.254 373 G HA3 -0.414 3.546 3.960 0.000 0.000 0.254 373 G C 0.306 175.017 174.900 -0.314 0.000 0.982 373 G CA 0.333 45.166 45.100 -0.445 0.000 0.632 373 G HN 0.653 nan 8.290 nan 0.000 0.529 374 Y N 1.713 121.950 120.300 -0.105 0.000 2.639 374 Y HA -0.024 4.526 4.550 0.000 0.000 0.297 374 Y C 3.030 178.895 175.900 -0.058 0.000 1.151 374 Y CA 1.521 59.580 58.100 -0.068 0.000 1.335 374 Y CB -0.016 38.429 38.460 -0.026 0.000 0.994 374 Y HN 0.478 nan 8.280 nan 0.000 0.548 375 T N -2.991 111.593 114.554 0.049 0.000 3.077 375 T HA -0.124 4.226 4.350 0.000 0.000 0.269 375 T C 1.966 176.670 174.700 0.007 0.000 1.146 375 T CA 0.687 62.800 62.100 0.021 0.000 1.091 375 T CB -0.249 68.611 68.868 -0.014 0.000 0.892 375 T HN 0.366 nan 8.240 nan 0.000 0.533 376 A N 1.975 124.791 122.820 -0.006 0.000 1.969 376 A HA 0.059 4.379 4.320 0.000 0.000 0.218 376 A C 2.480 180.069 177.584 0.009 0.000 1.169 376 A CA 1.738 53.768 52.037 -0.013 0.000 0.635 376 A CB -0.630 18.349 19.000 -0.036 0.000 0.810 376 A HN 0.736 nan 8.150 nan 0.000 0.445 377 T N -6.664 107.909 114.554 0.031 0.000 3.131 377 T HA 0.258 4.608 4.350 0.000 0.000 0.283 377 T C 0.139 174.852 174.700 0.023 0.000 0.906 377 T CA 0.138 62.252 62.100 0.023 0.000 0.882 377 T CB -0.763 68.118 68.868 0.021 0.000 1.208 377 T HN 0.217 nan 8.240 nan 0.000 0.561 378 C N 2.301 121.624 119.300 0.038 0.000 2.365 378 C HA 0.876 5.336 4.460 0.000 0.000 0.349 378 C C 0.585 175.594 174.990 0.031 0.000 1.191 378 C CA -0.363 58.669 59.018 0.023 0.000 2.114 378 C CB 1.238 28.988 27.740 0.015 0.000 2.367 378 C HN 0.574 nan 8.230 nan 0.000 0.530 379 S N 0.591 116.308 115.700 0.028 0.000 2.664 379 S HA 0.510 4.980 4.470 0.000 0.000 0.304 379 S C -0.160 174.476 174.600 0.060 0.000 1.099 379 S CA -0.401 57.824 58.200 0.042 0.000 1.003 379 S CB 1.547 64.772 63.200 0.041 0.000 1.092 379 S HN 0.899 nan 8.310 nan 0.000 0.525 380 S N 0.732 116.476 115.700 0.073 0.000 2.566 380 S HA 0.105 4.575 4.470 0.000 0.000 0.280 380 S C 0.018 174.701 174.600 0.138 0.000 1.343 380 S CA -0.589 57.672 58.200 0.102 0.000 1.036 380 S CB -0.172 63.097 63.200 0.115 0.000 0.866 380 S HN 0.504 nan 8.310 nan 0.000 0.526 381 L N 4.290 125.618 121.223 0.175 0.000 2.485 381 L HA 0.556 4.896 4.340 0.000 0.000 0.275 381 L C 0.676 177.723 176.870 0.295 0.000 1.207 381 L CA 1.610 56.590 54.840 0.235 0.000 0.855 381 L CB 0.001 42.222 42.059 0.269 0.000 1.114 381 L HN 0.876 nan 8.230 nan 0.000 0.485 382 G N 3.009 112.001 108.800 0.320 0.000 2.606 382 G HA2 0.285 4.245 3.960 0.000 0.000 0.300 382 G HA3 0.285 4.245 3.960 0.000 0.000 0.300 382 G C -0.296 174.806 174.900 0.337 0.000 1.360 382 G CA -0.255 45.047 45.100 0.336 0.000 0.783 382 G HN 0.723 nan 8.290 nan 0.000 0.484 383 L N 0.729 122.110 121.223 0.263 0.000 2.081 383 L HA -0.001 4.339 4.340 0.000 0.000 0.212 383 L C 2.956 179.948 176.870 0.203 0.000 1.080 383 L CA 3.309 58.254 54.840 0.174 0.000 0.754 383 L CB -0.537 41.562 42.059 0.067 0.000 0.893 383 L HN 0.752 nan 8.230 nan 0.000 0.433 384 A N -1.174 121.737 122.820 0.151 0.000 2.019 384 A HA -0.209 4.111 4.320 0.000 0.000 0.219 384 A C 1.898 179.571 177.584 0.148 0.000 1.164 384 A CA 1.792 53.901 52.037 0.119 0.000 0.644 384 A CB -0.702 18.340 19.000 0.070 0.000 0.805 384 A HN 0.590 nan 8.150 nan 0.000 0.449 385 D N -1.367 119.163 120.400 0.217 0.000 2.348 385 D HA -0.015 4.625 4.640 0.000 0.000 0.216 385 D C 0.157 176.501 176.300 0.074 0.000 0.970 385 D CA 0.756 54.844 54.000 0.147 0.000 0.889 385 D CB -0.094 40.814 40.800 0.179 0.000 0.912 385 D HN 0.536 nan 8.370 nan 0.000 0.524 386 F N 0.750 120.776 119.950 0.127 0.000 2.668 386 F HA 0.279 4.806 4.527 0.000 0.000 0.301 386 F C 0.861 176.696 175.800 0.059 0.000 1.106 386 F CA -0.177 57.878 58.000 0.091 0.000 1.289 386 F CB 0.419 39.383 39.000 -0.061 0.000 1.006 386 F HN -0.291 nan 8.300 nan 0.000 0.535 387 Q N -0.326 119.580 119.800 0.176 0.000 2.683 387 Q HA 0.625 4.965 4.340 0.000 0.000 0.302 387 Q C -1.005 175.033 176.000 0.064 0.000 1.042 387 Q CA -1.272 54.595 55.803 0.106 0.000 0.773 387 Q CB 2.910 31.702 28.738 0.089 0.000 1.508 387 Q HN 0.034 nan 8.270 nan 0.000 0.459 388 K N 0.540 120.967 120.400 0.045 0.000 2.464 388 K HA 0.558 4.878 4.320 0.000 0.000 0.253 388 K C -0.961 175.652 176.600 0.022 0.000 0.933 388 K CA -0.775 55.528 56.287 0.027 0.000 0.801 388 K CB 2.740 35.253 32.500 0.020 0.000 1.271 388 K HN 0.314 nan 8.250 nan 0.000 0.430 392 V N 3.444 123.364 119.914 0.010 0.000 2.760 392 V HA 0.763 4.884 4.120 0.000 0.000 0.309 392 V C -0.894 175.207 176.094 0.013 0.000 1.077 392 V CA -0.891 61.415 62.300 0.010 0.000 0.910 392 V CB 2.022 33.850 31.823 0.008 0.000 1.008 392 V HN 0.963 nan 8.190 nan 0.000 0.424 393 Q N 2.418 122.227 119.800 0.015 0.000 2.379 393 Q HA 0.835 5.175 4.340 0.000 0.000 0.278 393 Q C -1.284 174.728 176.000 0.021 0.000 1.068 393 Q CA -0.911 54.903 55.803 0.019 0.000 0.816 393 Q CB 3.352 32.104 28.738 0.025 0.000 1.387 393 Q HN 0.741 nan 8.270 nan 0.000 0.413 394 E N 2.518 122.732 120.200 0.024 0.000 2.287 394 E HA 0.387 4.737 4.350 0.000 0.000 0.274 394 E C -1.812 174.811 176.600 0.038 0.000 0.896 394 E CA -0.647 55.769 56.400 0.026 0.000 0.788 394 E CB 1.375 31.085 29.700 0.016 0.000 1.244 394 E HN 0.580 nan 8.360 nan 0.000 0.408 395 L N 3.208 124.465 121.223 0.056 0.000 2.295 395 L HA 0.412 4.752 4.340 0.000 0.000 0.285 395 L C 0.489 177.406 176.870 0.080 0.000 1.035 395 L CA -0.353 54.538 54.840 0.085 0.000 0.806 395 L CB 1.563 43.711 42.059 0.149 0.000 1.214 395 L HN 0.608 nan 8.230 nan 0.000 0.426 396 S N 1.803 117.547 115.700 0.074 0.000 2.634 396 S HA 0.322 4.792 4.470 0.000 0.000 0.261 396 S C 1.012 175.673 174.600 0.101 0.000 1.271 396 S CA -0.565 57.671 58.200 0.061 0.000 0.985 396 S CB 0.752 63.980 63.200 0.046 0.000 0.968 396 S HN 0.593 nan 8.310 nan 0.000 0.568 397 K N 0.514 120.960 120.400 0.077 0.000 2.057 397 K HA -0.135 4.185 4.320 0.000 0.000 0.207 397 K C 2.048 178.741 176.600 0.156 0.000 1.049 397 K CA 1.803 58.157 56.287 0.113 0.000 0.931 397 K CB -0.336 32.200 32.500 0.060 0.000 0.714 397 K HN 0.576 nan 8.250 nan 0.000 0.440 398 E N 0.318 120.574 120.200 0.093 0.000 2.051 398 E HA -0.129 4.221 4.350 0.000 0.000 0.192 398 E C 2.157 178.797 176.600 0.067 0.000 0.991 398 E CA 1.449 57.890 56.400 0.069 0.000 0.799 398 E CB -0.669 29.056 29.700 0.042 0.000 0.748 398 E HN 0.446 nan 8.360 nan 0.000 0.449 399 G N 0.142 108.987 108.800 0.075 0.000 2.421 399 G HA2 -0.292 3.668 3.960 0.000 0.000 0.216 399 G HA3 -0.292 3.668 3.960 0.000 0.000 0.216 399 G C 1.536 176.474 174.900 0.064 0.000 1.171 399 G CA 0.756 45.891 45.100 0.059 0.000 0.775 399 G HN 0.316 nan 8.290 nan 0.000 0.543 400 F N 2.152 122.104 119.950 0.002 0.000 2.102 400 F HA -0.069 4.458 4.527 0.000 0.000 0.298 400 F C 2.827 178.629 175.800 0.003 0.000 1.105 400 F CA 1.898 59.900 58.000 0.003 0.000 1.239 400 F CB -0.248 38.753 39.000 0.002 0.000 0.991 400 F HN 0.142 nan 8.300 nan 0.000 0.474 401 S N 0.526 116.223 115.700 -0.005 0.000 2.382 401 S HA -0.147 4.323 4.470 0.000 0.000 0.228 401 S C 2.199 176.703 174.600 -0.161 0.000 1.027 401 S CA 1.041 59.186 58.200 -0.091 0.000 0.991 401 S CB -0.771 62.474 63.200 0.076 0.000 0.823 401 S HN 0.552 nan 8.310 nan 0.000 0.469 402 A N 0.113 122.870 122.820 -0.106 0.000 2.066 402 A HA 0.180 4.500 4.320 0.000 0.000 0.218 402 A C 1.806 179.314 177.584 -0.127 0.000 1.157 402 A CA 0.761 52.745 52.037 -0.089 0.000 0.670 402 A CB -0.185 18.788 19.000 -0.045 0.000 0.804 402 A HN 0.401 nan 8.150 nan 0.000 0.453 403 L N -1.673 119.432 121.223 -0.198 0.000 2.616 403 L HA 0.403 4.743 4.340 0.000 0.000 0.229 403 L C 2.322 179.029 176.870 -0.271 0.000 1.110 403 L CA 0.925 55.651 54.840 -0.190 0.000 0.884 403 L CB -0.261 41.713 42.059 -0.142 0.000 1.115 403 L HN 0.284 nan 8.230 nan 0.000 0.481 404 A N -0.531 122.030 122.820 -0.432 0.000 1.883 404 A HA -0.245 4.075 4.320 0.000 0.000 0.217 404 A C 2.477 179.942 177.584 -0.199 0.000 1.186 404 A CA 2.120 53.891 52.037 -0.444 0.000 0.624 404 A CB -0.901 17.765 19.000 -0.556 0.000 0.822 404 A HN 0.565 nan 8.150 nan 0.000 0.444 405 S N -0.973 114.642 115.700 -0.141 0.000 2.382 405 S HA -0.159 4.311 4.470 0.000 0.000 0.228 405 S C 1.856 176.419 174.600 -0.063 0.000 1.027 405 S CA 1.976 60.129 58.200 -0.079 0.000 0.991 405 S CB -1.233 61.931 63.200 -0.060 0.000 0.823 405 S HN 0.496 nan 8.310 nan 0.000 0.469 406 T N 2.967 117.477 114.554 -0.072 0.000 2.708 406 T HA 0.086 4.436 4.350 0.000 0.000 0.266 406 T C 1.760 176.436 174.700 -0.040 0.000 1.037 406 T CA 1.620 63.689 62.100 -0.051 0.000 1.146 406 T CB -0.528 68.309 68.868 -0.051 0.000 0.865 406 T HN 0.435 nan 8.240 nan 0.000 0.435 407 I N 0.951 121.490 120.570 -0.052 0.000 2.179 407 I HA -0.171 3.999 4.170 0.000 0.000 0.242 407 I C 2.678 178.794 176.117 -0.000 0.000 1.088 407 I CA 1.446 62.734 61.300 -0.020 0.000 1.357 407 I CB -0.458 37.531 38.000 -0.019 0.000 1.051 407 I HN 0.302 nan 8.210 nan 0.000 0.409 408 E N 0.408 120.602 120.200 -0.010 0.000 2.085 408 E HA -0.194 4.156 4.350 0.000 0.000 0.194 408 E C 2.192 178.792 176.600 0.001 0.000 0.994 408 E CA 1.935 58.340 56.400 0.007 0.000 0.801 408 E CB -0.170 29.531 29.700 0.002 0.000 0.743 408 E HN 0.473 nan 8.360 nan 0.000 0.453 409 T N 1.675 116.222 114.554 -0.011 0.000 2.652 409 T HA -0.158 4.192 4.350 0.000 0.000 0.267 409 T C 1.984 176.678 174.700 -0.011 0.000 1.039 409 T CA 1.018 63.111 62.100 -0.011 0.000 1.153 409 T CB -0.250 68.608 68.868 -0.017 0.000 0.863 409 T HN 0.089 nan 8.240 nan 0.000 0.428 410 L N 0.682 121.898 121.223 -0.012 0.000 2.046 410 L HA -0.067 4.273 4.340 0.000 0.000 0.208 410 L C 3.096 179.953 176.870 -0.021 0.000 1.077 410 L CA 1.229 56.059 54.840 -0.016 0.000 0.747 410 L CB -0.771 41.279 42.059 -0.015 0.000 0.896 410 L HN 0.240 nan 8.230 nan 0.000 0.432 411 A N 0.253 123.068 122.820 -0.008 0.000 1.883 411 A HA -0.192 4.128 4.320 0.000 0.000 0.217 411 A C 2.547 180.122 177.584 -0.014 0.000 1.186 411 A CA 1.873 53.904 52.037 -0.011 0.000 0.624 411 A CB -0.764 18.267 19.000 0.052 0.000 0.822 411 A HN 0.402 nan 8.150 nan 0.000 0.444 412 A N -0.248 122.571 122.820 -0.001 0.000 1.933 412 A HA 0.165 4.485 4.320 0.000 0.000 0.218 412 A C 2.472 180.049 177.584 -0.012 0.000 1.175 412 A CA 2.035 54.071 52.037 -0.002 0.000 0.628 412 A CB -0.955 18.047 19.000 0.002 0.000 0.814 412 A HN 1.099 nan 8.150 nan 0.000 0.444 413 A N -0.181 122.629 122.820 -0.017 0.000 1.972 413 A HA -0.131 4.189 4.320 0.000 0.000 0.219 413 A C 1.730 179.297 177.584 -0.028 0.000 1.169 413 A CA 1.454 53.479 52.037 -0.020 0.000 0.635 413 A CB -0.375 18.613 19.000 -0.020 0.000 0.810 413 A HN 0.636 nan 8.150 nan 0.000 0.446 414 E N -0.848 119.326 120.200 -0.042 0.000 2.465 414 E HA 0.095 4.445 4.350 0.000 0.000 0.191 414 E C -0.351 176.217 176.600 -0.054 0.000 1.053 414 E CA -0.332 56.034 56.400 -0.057 0.000 0.869 414 E CB 0.033 29.677 29.700 -0.093 0.000 0.977 414 E HN 0.443 nan 8.360 nan 0.000 0.483 415 R N 0.536 121.015 120.500 -0.035 0.000 3.416 415 R HA -0.177 4.163 4.340 0.000 0.000 0.263 415 R C -0.545 175.742 176.300 -0.020 0.000 1.053 415 R CA 0.438 56.526 56.100 -0.020 0.000 0.705 415 R CB -1.984 28.307 30.300 -0.015 0.000 1.124 415 R HN 0.234 nan 8.270 nan 0.000 0.444 416 L N 0.534 121.738 121.223 -0.032 0.000 2.426 416 L HA 0.157 4.497 4.340 0.000 0.000 0.255 416 L C 1.503 178.418 176.870 0.074 0.000 1.080 416 L CA -0.389 54.444 54.840 -0.012 0.000 0.960 416 L CB 1.306 43.236 42.059 -0.216 0.000 1.326 416 L HN 0.112 nan 8.230 nan 0.000 0.441 417 T N 0.314 114.907 114.554 0.066 0.000 2.720 417 T HA -0.240 4.110 4.350 0.000 0.000 0.268 417 T C 1.986 176.738 174.700 0.087 0.000 1.037 417 T CA 1.811 63.950 62.100 0.065 0.000 1.144 417 T CB 0.160 69.054 68.868 0.043 0.000 0.864 417 T HN 0.667 nan 8.240 nan 0.000 0.444 418 A N 0.910 123.793 122.820 0.105 0.000 1.969 418 A HA -0.121 4.199 4.320 0.000 0.000 0.218 418 A C 1.961 179.587 177.584 0.070 0.000 1.169 418 A CA 1.582 53.660 52.037 0.070 0.000 0.635 418 A CB -0.765 18.262 19.000 0.044 0.000 0.810 418 A HN 0.551 nan 8.150 nan 0.000 0.445 419 H N -0.439 118.643 119.070 0.019 0.000 2.353 419 H HA -0.063 4.493 4.556 0.000 0.000 0.300 419 H C 2.062 177.410 175.328 0.033 0.000 1.090 419 H CA 1.862 57.925 56.048 0.025 0.000 1.327 419 H CB 0.017 29.791 29.762 0.020 0.000 1.383 419 H HN 0.532 nan 8.280 nan 0.000 0.508 420 K N 0.288 120.783 120.400 0.158 0.000 2.057 420 K HA -0.129 4.191 4.320 0.000 0.000 0.206 420 K C 1.497 178.145 176.600 0.079 0.000 1.050 420 K CA 1.288 57.634 56.287 0.098 0.000 0.935 420 K CB 0.175 32.715 32.500 0.067 0.000 0.715 420 K HN 0.199 nan 8.250 nan 0.000 0.439 421 N N 1.003 119.742 118.700 0.066 0.000 2.223 421 N HA -0.130 4.610 4.740 0.000 0.000 0.185 421 N C 1.535 177.074 175.510 0.048 0.000 1.016 421 N CA 1.213 54.292 53.050 0.049 0.000 0.863 421 N CB -0.343 38.164 38.487 0.033 0.000 0.983 421 N HN 0.285 nan 8.380 nan 0.000 0.429 422 A N 0.316 123.162 122.820 0.042 0.000 2.070 422 A HA -0.045 4.275 4.320 0.000 0.000 0.220 422 A C 2.334 179.973 177.584 0.092 0.000 1.159 422 A CA 1.029 53.084 52.037 0.031 0.000 0.656 422 A CB -0.346 18.651 19.000 -0.005 0.000 0.800 422 A HN 0.117 nan 8.150 nan 0.000 0.453 423 V N -0.983 119.019 119.914 0.147 0.000 2.331 423 V HA -0.145 3.975 4.120 0.000 0.000 0.242 423 V C 2.661 178.900 176.094 0.243 0.000 1.034 423 V CA 2.185 64.651 62.300 0.276 0.000 1.027 423 V CB -1.271 30.658 31.823 0.178 0.000 0.667 423 V HN 0.541 nan 8.190 nan 0.000 0.457 424 T N 1.088 115.721 114.554 0.132 0.000 2.653 424 T HA -0.238 4.112 4.350 0.000 0.000 0.268 424 T C 1.924 176.676 174.700 0.086 0.000 1.035 424 T CA 1.869 64.027 62.100 0.097 0.000 1.154 424 T CB -0.423 68.481 68.868 0.060 0.000 0.862 424 T HN 0.248 nan 8.240 nan 0.000 0.441 425 L N 0.183 121.443 121.223 0.061 0.000 2.012 425 L HA -0.163 4.177 4.340 0.000 0.000 0.210 425 L C 2.954 179.832 176.870 0.013 0.000 1.073 425 L CA 1.589 56.444 54.840 0.026 0.000 0.748 425 L CB -0.452 41.608 42.059 0.003 0.000 0.891 425 L HN 0.202 nan 8.230 nan 0.000 0.431 426 R N -0.854 119.649 120.500 0.004 0.000 2.066 426 R HA -0.117 4.223 4.340 0.000 0.000 0.232 426 R C 2.232 178.560 176.300 0.048 0.000 1.131 426 R CA 1.193 57.231 56.100 -0.103 0.000 0.955 426 R CB -0.542 29.486 30.300 -0.454 0.000 0.851 426 R HN 0.157 nan 8.270 nan 0.000 0.432 427 V N 2.064 122.118 119.914 0.234 0.000 2.332 427 V HA -0.277 3.844 4.120 0.000 0.000 0.248 427 V C 1.735 177.895 176.094 0.110 0.000 1.055 427 V CA 1.831 64.273 62.300 0.236 0.000 1.038 427 V CB -0.527 31.408 31.823 0.187 0.000 0.651 427 V HN 0.357 nan 8.190 nan 0.000 0.450 428 N N 0.411 119.155 118.700 0.073 0.000 2.188 428 N HA -0.076 4.664 4.740 0.000 0.000 0.184 428 N C 1.875 177.401 175.510 0.026 0.000 1.018 428 N CA 1.550 54.625 53.050 0.042 0.000 0.858 428 N CB -0.492 38.014 38.487 0.031 0.000 0.989 428 N HN 0.491 nan 8.380 nan 0.000 0.426 429 A N 1.106 123.934 122.820 0.014 0.000 1.933 429 A HA -0.042 4.278 4.320 0.000 0.000 0.218 429 A C 2.335 179.920 177.584 0.001 0.000 1.175 429 A CA 0.876 52.909 52.037 -0.005 0.000 0.628 429 A CB -0.616 18.364 19.000 -0.033 0.000 0.814 429 A HN 0.207 nan 8.150 nan 0.000 0.444 430 L N -0.932 120.302 121.223 0.018 0.000 2.109 430 L HA -0.158 4.182 4.340 0.000 0.000 0.207 430 L C 2.550 179.439 176.870 0.032 0.000 1.086 430 L CA 1.369 56.227 54.840 0.030 0.000 0.760 430 L CB -0.402 41.698 42.059 0.068 0.000 0.910 430 L HN 0.368 nan 8.230 nan 0.000 0.437 431 K N -0.186 120.235 120.400 0.036 0.000 1.985 431 K HA -0.228 4.092 4.320 0.000 0.000 0.210 431 K C 2.059 178.669 176.600 0.018 0.000 1.047 431 K CA 1.381 57.685 56.287 0.028 0.000 0.932 431 K CB -0.293 32.224 32.500 0.027 0.000 0.716 431 K HN 0.159 nan 8.250 nan 0.000 0.439 432 E N 1.749 121.957 120.200 0.014 0.000 2.068 432 E HA -0.311 4.039 4.350 0.000 0.000 0.207 432 E C 2.028 178.632 176.600 0.006 0.000 1.032 432 E CA 1.840 58.245 56.400 0.008 0.000 0.839 432 E CB -0.099 29.604 29.700 0.005 0.000 0.758 432 E HN 0.334 nan 8.360 nan 0.000 0.457 433 Q N -0.352 119.451 119.800 0.005 0.000 2.077 433 Q HA -0.081 4.259 4.340 0.000 0.000 0.206 433 Q C 0.770 176.774 176.000 0.006 0.000 0.989 433 Q CA 1.539 57.344 55.803 0.003 0.000 0.853 433 Q CB 0.005 28.743 28.738 0.001 0.000 0.907 433 Q HN 0.309 nan 8.270 nan 0.000 0.418 434 A N 0.000 122.826 122.820 0.011 0.000 2.254 434 A HA 0.000 4.320 4.320 0.000 0.000 0.244 434 A CA 0.000 52.044 52.037 0.011 0.000 0.836 434 A CB 0.000 19.007 19.000 0.011 0.000 0.831 434 A HN 0.000 nan 8.150 nan 0.000 0.486