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 1mvy_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPNSQYLKTR ILDIYTPEQR AGIEKSEDWR QFSRRMDTHF PKLMNELDSV DATA SEQUENCE YGNNEALLPM LEMLLAQAWQ SYSQRNSSLK DIDIARENNP DWILSNKQVG DATA SEQUENCE GVCYVDLFAG DLKGLKDKIP YFQELGLTYL YLMPLFKCPE GKSDGGYAVS DATA SEQUENCE SYRDVNPALG TIGDLREVIA ALHEAGISAV VDFIFNHTSN EHEWAQRCAA DATA SEQUENCE GDPLFDNFYY IFPDRRMPDQ YDRTLREIFP DQHPGGFSQL EDGRWVWTTF DATA SEQUENCE NSFQWDLNYS NPWVFRAMAG EMLFLANLGV DILRMDAVAF IWKQMGTSCE DATA SEQUENCE NLPQAHALIR AFNAVMRIAA PAVFFKSQAI VHPDQVVQYI GQDECQIGYN DATA SEQUENCE PLQMALLWNT LATREVNLLH QALTYRHNLP EHTAWVNYVR SHDDIGWTFA DATA SEQUENCE DEDAAYLGIS GYDHRQFLNR FFVNRFDGSF ARGVPFQYNP STGDCRVSGT DATA SEQUENCE AAALVGLAQD DPHAVDRIKL LYSIALSTGG LPLIYLGDEV GTLNDDDWSQ DATA SEQUENCE DSNKSDDSRW AHRPRYNEAL YAQRNDPSTA AGQIYQGLRH MIAVRQSNPR DATA SEQUENCE FDGGRLVTFN TNNKHIIGYI RNNALLAFGN FSEYPQTVTA HTLQAMPFKA DATA SEQUENCE HDLIGGKTVS LNQDLTLQPY QVMWLEIA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.632 174.600 0.053 0.000 1.055 1 S CA 0.000 58.220 58.200 0.034 0.000 1.107 1 S CB 0.000 63.220 63.200 0.034 0.000 0.593 2 P HA 0.444 nan 4.420 nan 0.000 0.273 2 P C -0.863 176.550 177.300 0.189 0.000 1.250 2 P CA -0.454 62.699 63.100 0.087 0.000 0.793 2 P CB 0.238 32.047 31.700 0.181 0.000 1.011 3 N N -2.258 116.518 118.700 0.126 0.000 2.457 3 N HA 0.190 4.931 4.740 0.001 0.000 0.290 3 N C 0.870 176.300 175.510 -0.133 0.000 1.232 3 N CA -0.718 52.393 53.050 0.102 0.000 0.852 3 N CB 0.760 39.292 38.487 0.074 0.000 1.313 3 N HN 0.262 nan 8.380 nan 0.000 0.522 4 S N -0.568 115.004 115.700 -0.214 0.000 2.365 4 S HA -0.249 4.222 4.470 0.001 0.000 0.225 4 S C 1.552 176.028 174.600 -0.207 0.000 1.039 4 S CA 1.580 59.542 58.200 -0.397 0.000 1.033 4 S CB -0.441 62.649 63.200 -0.184 0.000 0.887 4 S HN 0.609 nan 8.310 nan 0.000 0.447 5 Q N -0.248 119.509 119.800 -0.071 0.000 2.020 5 Q HA -0.082 4.258 4.340 0.001 0.000 0.202 5 Q C 1.875 177.891 176.000 0.027 0.000 0.982 5 Q CA 2.140 57.938 55.803 -0.008 0.000 0.838 5 Q CB -0.831 27.922 28.738 0.024 0.000 0.899 5 Q HN 0.804 nan 8.270 nan 0.000 0.423 6 Y N 0.461 120.722 120.300 -0.065 0.000 2.081 6 Y HA -0.242 4.309 4.550 0.001 0.000 0.280 6 Y C 1.672 177.544 175.900 -0.047 0.000 1.163 6 Y CA 1.694 59.768 58.100 -0.044 0.000 1.135 6 Y CB -0.378 38.059 38.460 -0.040 0.000 0.970 6 Y HN 0.089 nan 8.280 nan 0.000 0.498 7 L N 0.107 121.204 121.223 -0.209 0.000 2.083 7 L HA -0.240 4.101 4.340 0.001 0.000 0.209 7 L C 2.450 179.226 176.870 -0.157 0.000 1.083 7 L CA 1.733 56.404 54.840 -0.282 0.000 0.752 7 L CB -0.557 41.333 42.059 -0.281 0.000 0.899 7 L HN 0.187 nan 8.230 nan 0.000 0.433 8 K N -0.374 119.985 120.400 -0.068 0.000 2.148 8 K HA -0.139 4.182 4.320 0.001 0.000 0.204 8 K C 2.182 178.847 176.600 0.108 0.000 1.050 8 K CA 1.815 58.189 56.287 0.145 0.000 0.942 8 K CB -0.262 32.358 32.500 0.200 0.000 0.724 8 K HN 0.493 nan 8.250 nan 0.000 0.446 9 T N -0.727 113.810 114.554 -0.028 0.000 2.821 9 T HA -0.122 4.229 4.350 0.001 0.000 0.267 9 T C 1.920 176.553 174.700 -0.112 0.000 1.046 9 T CA 0.817 62.877 62.100 -0.068 0.000 1.139 9 T CB -0.142 68.680 68.868 -0.076 0.000 0.871 9 T HN 0.164 nan 8.240 nan 0.000 0.454 10 R N 0.393 120.778 120.500 -0.192 0.000 2.148 10 R HA 0.298 4.639 4.340 0.001 0.000 0.223 10 R C 2.479 178.740 176.300 -0.066 0.000 1.088 10 R CA 0.917 56.916 56.100 -0.168 0.000 0.985 10 R CB -0.459 29.670 30.300 -0.285 0.000 0.880 10 R HN 0.430 nan 8.270 nan 0.000 0.451 11 I N 0.770 121.336 120.570 -0.007 0.000 2.252 11 I HA -0.258 3.913 4.170 0.001 0.000 0.245 11 I C 1.786 177.920 176.117 0.029 0.000 1.102 11 I CA 1.300 62.647 61.300 0.078 0.000 1.385 11 I CB -0.090 38.047 38.000 0.228 0.000 1.064 11 I HN 0.156 nan 8.210 nan 0.000 0.414 12 L N 0.156 121.348 121.223 -0.051 0.000 2.551 12 L HA -0.119 4.222 4.340 0.001 0.000 0.228 12 L C 1.445 178.339 176.870 0.041 0.000 1.153 12 L CA 0.408 55.227 54.840 -0.035 0.000 0.851 12 L CB -0.557 41.328 42.059 -0.290 0.000 0.959 12 L HN 0.217 nan 8.230 nan 0.000 0.451 13 D N 0.782 121.165 120.400 -0.028 0.000 2.350 13 D HA -0.119 4.521 4.640 0.001 0.000 0.216 13 D C 2.067 178.328 176.300 -0.064 0.000 0.968 13 D CA 0.988 54.967 54.000 -0.036 0.000 0.894 13 D CB 0.098 40.872 40.800 -0.044 0.000 0.909 13 D HN 0.553 nan 8.370 nan 0.000 0.520 14 I N -2.963 117.516 120.570 -0.152 0.000 3.111 14 I HA -0.024 4.147 4.170 0.001 0.000 0.272 14 I C 0.013 175.920 176.117 -0.350 0.000 1.268 14 I CA 0.177 61.314 61.300 -0.272 0.000 1.467 14 I CB -0.342 37.426 38.000 -0.385 0.000 1.087 14 I HN -0.257 nan 8.210 nan 0.000 0.467 15 Y N 2.361 122.639 120.300 -0.037 0.000 2.334 15 Y HA 0.387 4.938 4.550 0.001 0.000 0.328 15 Y C 1.318 177.191 175.900 -0.045 0.000 1.130 15 Y CA -0.970 57.106 58.100 -0.040 0.000 1.163 15 Y CB 1.072 39.489 38.460 -0.071 0.000 1.207 15 Y HN 0.015 nan 8.280 nan 0.000 0.471 16 T N -0.352 114.279 114.554 0.128 0.000 2.856 16 T HA 0.080 4.430 4.350 0.001 0.000 0.306 16 T C -1.982 172.746 174.700 0.047 0.000 1.062 16 T CA -1.489 60.647 62.100 0.059 0.000 1.083 16 T CB 0.952 69.847 68.868 0.044 0.000 0.984 16 T HN 0.382 nan 8.240 nan 0.000 0.542 17 P HA -0.155 nan 4.420 nan 0.000 0.217 17 P C 1.593 178.884 177.300 -0.015 0.000 1.151 17 P CA 0.956 64.053 63.100 -0.005 0.000 0.849 17 P CB 0.085 31.781 31.700 -0.006 0.000 0.787 18 E N -0.226 119.971 120.200 -0.005 0.000 2.072 18 E HA -0.211 4.140 4.350 0.001 0.000 0.191 18 E C 1.944 178.529 176.600 -0.024 0.000 0.985 18 E CA 1.293 57.686 56.400 -0.012 0.000 0.801 18 E CB -0.167 29.532 29.700 -0.001 0.000 0.750 18 E HN 0.349 nan 8.360 nan 0.000 0.452 19 Q N 0.053 119.852 119.800 -0.002 0.000 2.079 19 Q HA -0.137 4.204 4.340 0.001 0.000 0.200 19 Q C 2.372 178.282 176.000 -0.149 0.000 0.974 19 Q CA 1.216 57.005 55.803 -0.024 0.000 0.840 19 Q CB -0.226 28.577 28.738 0.108 0.000 0.898 19 Q HN 0.117 nan 8.270 nan 0.000 0.430 20 R N 0.926 121.361 120.500 -0.109 0.000 2.112 20 R HA -0.235 4.106 4.340 0.001 0.000 0.242 20 R C 2.224 178.369 176.300 -0.259 0.000 1.137 20 R CA 1.673 57.640 56.100 -0.222 0.000 0.944 20 R CB -0.443 29.793 30.300 -0.107 0.000 0.857 20 R HN 0.267 nan 8.270 nan 0.000 0.435 21 A N -0.113 122.613 122.820 -0.157 0.000 1.948 21 A HA -0.139 4.182 4.320 0.001 0.000 0.220 21 A C 2.364 179.864 177.584 -0.140 0.000 1.177 21 A CA 1.950 53.909 52.037 -0.130 0.000 0.636 21 A CB -1.327 17.627 19.000 -0.077 0.000 0.815 21 A HN 0.645 nan 8.150 nan 0.000 0.449 22 G N -0.354 108.360 108.800 -0.143 0.000 2.403 22 G HA2 -0.065 3.896 3.960 0.001 0.000 0.216 22 G HA3 -0.065 3.896 3.960 0.001 0.000 0.216 22 G C 1.377 176.185 174.900 -0.154 0.000 1.154 22 G CA 0.953 45.983 45.100 -0.118 0.000 0.784 22 G HN 0.369 nan 8.290 nan 0.000 0.538 23 I N 1.459 121.851 120.570 -0.297 0.000 2.179 23 I HA -0.113 4.058 4.170 0.001 0.000 0.242 23 I C 2.523 178.432 176.117 -0.347 0.000 1.088 23 I CA 1.047 62.128 61.300 -0.366 0.000 1.357 23 I CB -1.283 36.250 38.000 -0.778 0.000 1.051 23 I HN 0.344 nan 8.210 nan 0.000 0.409 24 E N 0.699 120.623 120.200 -0.459 0.000 2.267 24 E HA -0.227 4.123 4.350 0.001 0.000 0.197 24 E C 1.713 178.305 176.600 -0.013 0.000 0.998 24 E CA 0.954 57.145 56.400 -0.347 0.000 0.830 24 E CB -0.030 29.494 29.700 -0.294 0.000 0.751 24 E HN 0.355 nan 8.360 nan 0.000 0.491 25 K N 0.511 120.898 120.400 -0.021 0.000 2.352 25 K HA 0.033 4.353 4.320 0.001 0.000 0.194 25 K C 0.749 177.398 176.600 0.083 0.000 1.038 25 K CA 0.065 56.374 56.287 0.038 0.000 1.023 25 K CB 0.439 32.943 32.500 0.005 0.000 0.840 25 K HN 0.035 nan 8.250 nan 0.000 0.519 26 S N 0.665 116.428 115.700 0.104 0.000 2.576 26 S HA 0.049 4.519 4.470 0.001 0.000 0.272 26 S C 1.068 175.794 174.600 0.210 0.000 1.352 26 S CA -0.459 57.832 58.200 0.152 0.000 1.021 26 S CB 1.017 64.329 63.200 0.187 0.000 0.887 26 S HN 0.054 nan 8.310 nan 0.000 0.542 27 E N 1.028 121.338 120.200 0.184 0.000 2.072 27 E HA -0.122 4.229 4.350 0.001 0.000 0.191 27 E C 1.435 178.206 176.600 0.284 0.000 0.985 27 E CA 1.202 57.714 56.400 0.187 0.000 0.801 27 E CB -0.481 29.301 29.700 0.137 0.000 0.750 27 E HN 0.745 nan 8.360 nan 0.000 0.452 28 D N 0.078 120.695 120.400 0.362 0.000 2.106 28 D HA -0.199 4.441 4.640 0.001 0.000 0.191 28 D C 1.603 178.341 176.300 0.731 0.000 0.997 28 D CA 0.773 55.122 54.000 0.583 0.000 0.834 28 D CB -0.549 40.554 40.800 0.505 0.000 0.956 28 D HN 0.356 nan 8.370 nan 0.000 0.448 29 W N 2.087 123.638 121.300 0.418 0.000 2.358 29 W HA -0.143 4.517 4.660 0.001 0.000 0.303 29 W C 2.218 178.812 176.519 0.124 0.000 1.208 29 W CA 0.935 58.338 57.345 0.096 0.000 1.274 29 W CB -0.160 29.194 29.460 -0.178 0.000 1.138 29 W HN -0.049 nan 8.180 nan 0.000 0.515 30 R N 0.480 121.080 120.500 0.167 0.000 2.083 30 R HA -0.220 4.121 4.340 0.001 0.000 0.237 30 R C 2.171 178.444 176.300 -0.045 0.000 1.137 30 R CA 1.836 57.961 56.100 0.041 0.000 0.951 30 R CB -0.590 29.773 30.300 0.104 0.000 0.851 30 R HN 0.218 nan 8.270 nan 0.000 0.434 31 Q N -0.261 119.570 119.800 0.052 0.000 2.016 31 Q HA -0.179 4.162 4.340 0.001 0.000 0.200 31 Q C 1.983 177.895 176.000 -0.145 0.000 0.978 31 Q CA 1.442 57.245 55.803 0.000 0.000 0.833 31 Q CB -0.546 28.270 28.738 0.129 0.000 0.895 31 Q HN 0.334 nan 8.270 nan 0.000 0.427 32 F N 1.546 121.311 119.950 -0.308 0.000 2.095 32 F HA -0.249 4.279 4.527 0.001 0.000 0.298 32 F C 2.705 178.182 175.800 -0.538 0.000 1.104 32 F CA 1.780 59.518 58.000 -0.436 0.000 1.232 32 F CB -0.462 38.381 39.000 -0.260 0.000 0.987 32 F HN 0.015 nan 8.300 nan 0.000 0.475 33 S N 0.061 115.333 115.700 -0.714 0.000 2.359 33 S HA -0.278 4.193 4.470 0.001 0.000 0.224 33 S C 2.368 176.707 174.600 -0.436 0.000 1.035 33 S CA 1.615 59.382 58.200 -0.722 0.000 1.018 33 S CB -0.553 62.238 63.200 -0.681 0.000 0.876 33 S HN 0.550 nan 8.310 nan 0.000 0.448 34 R N 0.282 120.597 120.500 -0.309 0.000 2.073 34 R HA -0.035 4.305 4.340 0.001 0.000 0.234 34 R C 2.515 178.684 176.300 -0.218 0.000 1.134 34 R CA 1.638 57.614 56.100 -0.207 0.000 0.952 34 R CB -0.243 29.975 30.300 -0.136 0.000 0.850 34 R HN 0.350 nan 8.270 nan 0.000 0.433 35 R N -0.427 119.926 120.500 -0.245 0.000 2.115 35 R HA -0.037 4.304 4.340 0.001 0.000 0.230 35 R C 2.433 178.623 176.300 -0.184 0.000 1.111 35 R CA 1.419 57.435 56.100 -0.140 0.000 0.976 35 R CB -0.162 30.045 30.300 -0.155 0.000 0.870 35 R HN 0.249 nan 8.270 nan 0.000 0.445 36 M N 0.876 120.228 119.600 -0.414 0.000 2.065 36 M HA -0.182 4.298 4.480 0.001 0.000 0.259 36 M C 1.372 177.585 176.300 -0.144 0.000 1.069 36 M CA 1.765 56.854 55.300 -0.352 0.000 1.110 36 M CB -0.761 31.494 32.600 -0.575 0.000 1.328 36 M HN 0.039 nan 8.290 nan 0.000 0.405 37 D N -0.328 119.962 120.400 -0.184 0.000 2.123 37 D HA -0.126 4.515 4.640 0.001 0.000 0.196 37 D C 1.937 178.163 176.300 -0.123 0.000 0.992 37 D CA 1.751 55.681 54.000 -0.116 0.000 0.833 37 D CB -0.452 40.273 40.800 -0.126 0.000 0.954 37 D HN 0.350 nan 8.370 nan 0.000 0.455 38 T N -0.155 114.268 114.554 -0.218 0.000 2.812 38 T HA -0.082 4.269 4.350 0.001 0.000 0.264 38 T C 1.451 175.861 174.700 -0.484 0.000 1.042 38 T CA 0.931 62.798 62.100 -0.388 0.000 1.140 38 T CB -0.076 68.441 68.868 -0.585 0.000 0.870 38 T HN 0.342 nan 8.240 nan 0.000 0.445 39 H N -1.051 117.977 119.070 -0.070 0.000 2.740 39 H HA 0.286 4.843 4.556 0.001 0.000 0.265 39 H C 1.733 177.033 175.328 -0.045 0.000 0.978 39 H CA -0.208 55.800 56.048 -0.067 0.000 1.198 39 H CB -0.082 29.630 29.762 -0.084 0.000 1.467 39 H HN 0.286 nan 8.280 nan 0.000 0.511 40 F N 3.219 123.146 119.950 -0.038 0.000 2.134 40 F HA -0.024 4.503 4.527 0.001 0.000 0.299 40 F C -0.886 174.895 175.800 -0.032 0.000 1.097 40 F CA 0.348 58.325 58.000 -0.038 0.000 1.264 40 F CB -0.917 38.044 39.000 -0.065 0.000 1.001 40 F HN 0.035 nan 8.300 nan 0.000 0.479 41 P HA -0.224 nan 4.420 nan 0.000 0.216 41 P C 1.276 178.421 177.300 -0.258 0.000 1.153 41 P CA 2.352 65.340 63.100 -0.186 0.000 0.858 41 P CB -0.092 31.570 31.700 -0.064 0.000 0.789 42 K N -1.070 119.218 120.400 -0.186 0.000 2.026 42 K HA -0.135 4.185 4.320 0.001 0.000 0.208 42 K C 1.996 178.464 176.600 -0.219 0.000 1.048 42 K CA 1.069 57.263 56.287 -0.154 0.000 0.929 42 K CB -0.997 31.462 32.500 -0.069 0.000 0.713 42 K HN 0.043 nan 8.250 nan 0.000 0.439 43 L N 1.174 122.233 121.223 -0.274 0.000 2.012 43 L HA -0.193 4.147 4.340 0.001 0.000 0.210 43 L C 2.338 178.958 176.870 -0.416 0.000 1.073 43 L CA 1.718 56.380 54.840 -0.297 0.000 0.748 43 L CB -0.447 41.458 42.059 -0.257 0.000 0.891 43 L HN 0.160 nan 8.230 nan 0.000 0.431 44 M N -0.215 118.978 119.600 -0.678 0.000 2.086 44 M HA -0.189 4.292 4.480 0.001 0.000 0.261 44 M C 2.067 178.190 176.300 -0.295 0.000 1.067 44 M CA 2.010 56.991 55.300 -0.532 0.000 1.116 44 M CB -0.775 31.436 32.600 -0.648 0.000 1.348 44 M HN 0.482 nan 8.290 nan 0.000 0.407 45 N N -0.097 118.444 118.700 -0.265 0.000 2.084 45 N HA -0.182 4.559 4.740 0.001 0.000 0.190 45 N C 1.518 176.915 175.510 -0.188 0.000 1.030 45 N CA 1.823 54.761 53.050 -0.186 0.000 0.849 45 N CB -0.127 38.267 38.487 -0.156 0.000 1.012 45 N HN 0.369 nan 8.380 nan 0.000 0.423 46 E N 0.414 120.491 120.200 -0.204 0.000 2.051 46 E HA -0.129 4.222 4.350 0.001 0.000 0.192 46 E C 2.194 178.633 176.600 -0.269 0.000 0.991 46 E CA 0.746 57.017 56.400 -0.214 0.000 0.799 46 E CB -0.504 29.085 29.700 -0.186 0.000 0.748 46 E HN 0.473 nan 8.360 nan 0.000 0.449 47 L N 0.789 121.845 121.223 -0.278 0.000 2.083 47 L HA -0.205 4.135 4.340 0.001 0.000 0.209 47 L C 2.345 179.121 176.870 -0.157 0.000 1.083 47 L CA 1.508 56.198 54.840 -0.251 0.000 0.752 47 L CB -0.377 41.543 42.059 -0.232 0.000 0.899 47 L HN 0.117 nan 8.230 nan 0.000 0.433 48 D N -0.370 119.941 120.400 -0.149 0.000 2.144 48 D HA -0.190 4.451 4.640 0.001 0.000 0.200 48 D C 2.248 178.464 176.300 -0.141 0.000 0.978 48 D CA 1.243 55.179 54.000 -0.106 0.000 0.833 48 D CB 0.162 40.905 40.800 -0.095 0.000 0.961 48 D HN 0.275 nan 8.370 nan 0.000 0.470 49 S N -0.923 114.663 115.700 -0.191 0.000 2.423 49 S HA -0.095 4.375 4.470 0.001 0.000 0.231 49 S C 1.923 176.342 174.600 -0.302 0.000 1.014 49 S CA 0.996 59.069 58.200 -0.212 0.000 0.965 49 S CB -0.190 62.883 63.200 -0.212 0.000 0.785 49 S HN 0.176 nan 8.310 nan 0.000 0.495 50 V N -0.275 119.385 119.914 -0.422 0.000 2.436 50 V HA 0.119 4.239 4.120 0.001 0.000 0.240 50 V C 1.896 177.649 176.094 -0.569 0.000 1.040 50 V CA 1.006 62.896 62.300 -0.683 0.000 1.052 50 V CB -0.746 30.456 31.823 -1.036 0.000 0.707 50 V HN 0.478 nan 8.190 nan 0.000 0.469 51 Y N 0.768 120.975 120.300 -0.156 0.000 2.510 51 Y HA 0.474 5.024 4.550 0.001 0.000 0.273 51 Y C 1.849 177.714 175.900 -0.059 0.000 1.119 51 Y CA 0.229 58.280 58.100 -0.082 0.000 1.286 51 Y CB -0.590 37.796 38.460 -0.123 0.000 1.061 51 Y HN 0.325 nan 8.280 nan 0.000 0.542 52 G N 1.253 110.072 108.800 0.031 0.000 2.611 52 G HA2 -0.418 3.542 3.960 0.001 0.000 0.301 52 G HA3 -0.418 3.542 3.960 0.001 0.000 0.301 52 G C 0.572 175.489 174.900 0.029 0.000 1.233 52 G CA 0.611 45.719 45.100 0.014 0.000 0.993 52 G HN 0.505 nan 8.290 nan 0.000 0.553 53 N N 1.792 120.509 118.700 0.028 0.000 2.362 53 N HA 0.078 4.818 4.740 0.001 0.000 0.211 53 N C 0.500 176.028 175.510 0.029 0.000 1.170 53 N CA -0.170 52.894 53.050 0.023 0.000 0.828 53 N CB -0.042 38.456 38.487 0.019 0.000 1.034 53 N HN 0.464 nan 8.380 nan 0.000 0.475 54 N N 2.192 120.917 118.700 0.041 0.000 2.357 54 N HA -0.106 4.635 4.740 0.001 0.000 0.257 54 N C 1.047 176.555 175.510 -0.003 0.000 1.250 54 N CA 0.301 53.368 53.050 0.029 0.000 0.862 54 N CB 0.920 39.424 38.487 0.027 0.000 1.066 54 N HN 0.306 nan 8.380 nan 0.000 0.468 55 E N 3.619 123.829 120.200 0.016 0.000 2.204 55 E HA -0.133 4.218 4.350 0.001 0.000 0.195 55 E C 1.296 177.903 176.600 0.012 0.000 0.990 55 E CA 1.708 58.122 56.400 0.024 0.000 0.821 55 E CB -0.324 29.405 29.700 0.049 0.000 0.750 55 E HN 0.533 nan 8.360 nan 0.000 0.477 56 A N 0.379 123.180 122.820 -0.032 0.000 2.169 56 A HA 0.170 4.491 4.320 0.001 0.000 0.212 56 A C 1.944 179.331 177.584 -0.329 0.000 1.153 56 A CA 0.552 52.524 52.037 -0.108 0.000 0.756 56 A CB -0.462 18.458 19.000 -0.134 0.000 0.813 56 A HN 0.288 nan 8.150 nan 0.000 0.471 57 L N -0.431 120.636 121.223 -0.261 0.000 1.970 57 L HA -0.162 4.179 4.340 0.001 0.000 0.212 57 L C 2.205 178.976 176.870 -0.165 0.000 1.071 57 L CA 2.219 56.896 54.840 -0.272 0.000 0.751 57 L CB -0.717 41.259 42.059 -0.138 0.000 0.889 57 L HN 0.354 nan 8.230 nan 0.000 0.432 58 L N 0.020 121.209 121.223 -0.057 0.000 1.989 58 L HA -0.088 4.253 4.340 0.001 0.000 0.211 58 L C -0.460 176.430 176.870 0.033 0.000 1.071 58 L CA 2.087 56.940 54.840 0.022 0.000 0.749 58 L CB -1.931 40.164 42.059 0.060 0.000 0.890 58 L HN 0.182 nan 8.230 nan 0.000 0.431 59 P HA -0.185 nan 4.420 nan 0.000 0.216 59 P C 2.011 179.374 177.300 0.104 0.000 1.150 59 P CA 1.431 64.607 63.100 0.127 0.000 0.837 59 P CB -0.261 31.578 31.700 0.232 0.000 0.786 60 M N -0.848 118.616 119.600 -0.226 0.000 2.132 60 M HA -0.102 4.379 4.480 0.001 0.000 0.263 60 M C 1.878 178.132 176.300 -0.077 0.000 1.065 60 M CA 1.764 56.798 55.300 -0.443 0.000 1.122 60 M CB -1.341 30.635 32.600 -1.039 0.000 1.365 60 M HN -0.093 nan 8.290 nan 0.000 0.411 61 L N 1.407 122.602 121.223 -0.046 0.000 2.042 61 L HA -0.177 4.163 4.340 0.001 0.000 0.210 61 L C 2.103 179.064 176.870 0.151 0.000 1.076 61 L CA 2.014 56.907 54.840 0.088 0.000 0.749 61 L CB -0.779 41.351 42.059 0.118 0.000 0.893 61 L HN 0.386 nan 8.230 nan 0.000 0.432 62 E N -1.037 119.241 120.200 0.129 0.000 2.106 62 E HA -0.269 4.082 4.350 0.001 0.000 0.192 62 E C 2.155 178.848 176.600 0.155 0.000 0.984 62 E CA 1.467 57.945 56.400 0.130 0.000 0.806 62 E CB -0.256 29.505 29.700 0.102 0.000 0.750 62 E HN 0.590 nan 8.360 nan 0.000 0.458 63 M N 0.811 120.516 119.600 0.175 0.000 2.099 63 M HA -0.156 4.324 4.480 0.001 0.000 0.262 63 M C 2.292 178.716 176.300 0.206 0.000 1.067 63 M CA 1.100 56.520 55.300 0.201 0.000 1.124 63 M CB 0.026 32.796 32.600 0.284 0.000 1.353 63 M HN 0.146 nan 8.290 nan 0.000 0.410 64 L N 0.883 122.233 121.223 0.212 0.000 2.046 64 L HA -0.147 4.194 4.340 0.001 0.000 0.208 64 L C 1.985 179.009 176.870 0.257 0.000 1.077 64 L CA 1.851 56.828 54.840 0.228 0.000 0.747 64 L CB -0.768 41.435 42.059 0.241 0.000 0.896 64 L HN 0.376 nan 8.230 nan 0.000 0.432 65 L N -0.737 120.647 121.223 0.267 0.000 2.083 65 L HA -0.154 4.186 4.340 0.001 0.000 0.209 65 L C 2.648 179.732 176.870 0.356 0.000 1.083 65 L CA 1.039 56.078 54.840 0.331 0.000 0.752 65 L CB -0.930 41.297 42.059 0.279 0.000 0.899 65 L HN 0.379 nan 8.230 nan 0.000 0.433 66 A N -0.497 122.486 122.820 0.272 0.000 1.902 66 A HA -0.245 4.075 4.320 0.001 0.000 0.217 66 A C 2.240 179.975 177.584 0.252 0.000 1.181 66 A CA 1.490 53.685 52.037 0.262 0.000 0.623 66 A CB -0.423 18.684 19.000 0.180 0.000 0.818 66 A HN 0.435 nan 8.150 nan 0.000 0.443 67 Q N -0.782 119.148 119.800 0.217 0.000 2.050 67 Q HA -0.112 4.229 4.340 0.001 0.000 0.202 67 Q C 2.458 178.573 176.000 0.193 0.000 0.980 67 Q CA 1.365 57.277 55.803 0.181 0.000 0.840 67 Q CB -0.382 28.465 28.738 0.182 0.000 0.898 67 Q HN 0.687 nan 8.270 nan 0.000 0.424 68 A N 1.020 124.003 122.820 0.270 0.000 1.908 68 A HA -0.227 4.094 4.320 0.001 0.000 0.218 68 A C 1.763 179.514 177.584 0.278 0.000 1.181 68 A CA 1.381 53.617 52.037 0.332 0.000 0.627 68 A CB -1.265 18.017 19.000 0.470 0.000 0.818 68 A HN 0.773 nan 8.150 nan 0.000 0.445 69 W N 0.391 121.652 121.300 -0.066 0.000 2.354 69 W HA -0.201 4.459 4.660 0.001 0.000 0.315 69 W C 1.963 178.418 176.519 -0.107 0.000 1.206 69 W CA 1.659 58.710 57.345 -0.490 0.000 1.290 69 W CB -0.253 28.954 29.460 -0.421 0.000 1.152 69 W HN 0.370 nan 8.180 nan 0.000 0.489 70 Q N 0.434 120.054 119.800 -0.301 0.000 2.096 70 Q HA -0.212 4.129 4.340 0.001 0.000 0.204 70 Q C 2.324 178.153 176.000 -0.285 0.000 0.982 70 Q CA 1.993 57.564 55.803 -0.387 0.000 0.850 70 Q CB -1.113 27.558 28.738 -0.111 0.000 0.901 70 Q HN 0.298 nan 8.270 nan 0.000 0.422 71 S N -0.255 115.386 115.700 -0.100 0.000 2.356 71 S HA -0.174 4.297 4.470 0.001 0.000 0.223 71 S C 1.876 176.438 174.600 -0.063 0.000 1.032 71 S CA 0.939 59.122 58.200 -0.027 0.000 1.005 71 S CB -0.285 62.967 63.200 0.086 0.000 0.867 71 S HN 0.462 nan 8.310 nan 0.000 0.449 72 Y N 1.651 121.863 120.300 -0.146 0.000 2.242 72 Y HA 0.025 4.576 4.550 0.001 0.000 0.291 72 Y C 2.786 178.526 175.900 -0.267 0.000 1.137 72 Y CA 1.566 59.602 58.100 -0.106 0.000 1.181 72 Y CB -0.892 37.615 38.460 0.078 0.000 0.989 72 Y HN 0.363 nan 8.280 nan 0.000 0.527 73 S N -0.238 115.066 115.700 -0.660 0.000 2.368 73 S HA -0.255 4.215 4.470 0.001 0.000 0.225 73 S C 1.842 176.170 174.600 -0.454 0.000 1.030 73 S CA 1.883 59.623 58.200 -0.767 0.000 0.999 73 S CB -0.260 62.255 63.200 -1.142 0.000 0.844 73 S HN 0.711 nan 8.310 nan 0.000 0.459 74 Q N 0.319 119.909 119.800 -0.350 0.000 2.297 74 Q HA 0.088 4.428 4.340 0.001 0.000 0.204 74 Q C 0.970 176.848 176.000 -0.202 0.000 0.962 74 Q CA 0.204 55.877 55.803 -0.217 0.000 0.879 74 Q CB -0.074 28.579 28.738 -0.142 0.000 0.947 74 Q HN 0.415 nan 8.270 nan 0.000 0.462 75 R N 2.833 123.179 120.500 -0.258 0.000 2.494 75 R HA -0.084 4.256 4.340 0.001 0.000 0.291 75 R C -0.015 176.160 176.300 -0.209 0.000 0.953 75 R CA -0.038 55.927 56.100 -0.224 0.000 1.098 75 R CB 0.213 30.344 30.300 -0.283 0.000 0.911 75 R HN 0.136 nan 8.270 nan 0.000 0.407 76 N N 2.398 121.020 118.700 -0.131 0.000 2.407 76 N HA -0.125 4.616 4.740 0.001 0.000 0.250 76 N C 0.676 176.126 175.510 -0.101 0.000 1.236 76 N CA 0.658 53.648 53.050 -0.099 0.000 0.879 76 N CB 1.376 39.826 38.487 -0.062 0.000 1.088 76 N HN 0.655 nan 8.380 nan 0.000 0.450 77 S N 2.461 118.111 115.700 -0.085 0.000 2.374 77 S HA -0.146 4.325 4.470 0.001 0.000 0.227 77 S C 1.757 176.324 174.600 -0.054 0.000 1.037 77 S CA 1.795 59.953 58.200 -0.069 0.000 1.024 77 S CB -0.105 63.066 63.200 -0.048 0.000 0.861 77 S HN 0.687 nan 8.310 nan 0.000 0.456 78 S N 1.266 116.938 115.700 -0.047 0.000 2.382 78 S HA 0.058 4.528 4.470 0.001 0.000 0.228 78 S C 1.726 176.286 174.600 -0.067 0.000 1.027 78 S CA 1.198 59.369 58.200 -0.048 0.000 0.991 78 S CB -0.377 62.806 63.200 -0.028 0.000 0.823 78 S HN 0.489 nan 8.310 nan 0.000 0.469 79 L N 0.856 122.045 121.223 -0.057 0.000 2.156 79 L HA -0.032 4.309 4.340 0.001 0.000 0.208 79 L C 2.270 179.110 176.870 -0.050 0.000 1.095 79 L CA 1.065 55.868 54.840 -0.061 0.000 0.770 79 L CB -0.437 41.599 42.059 -0.038 0.000 0.914 79 L HN 0.236 nan 8.230 nan 0.000 0.439 80 K N -0.089 120.286 120.400 -0.041 0.000 2.211 80 K HA -0.131 4.190 4.320 0.001 0.000 0.203 80 K C 1.521 178.125 176.600 0.008 0.000 1.050 80 K CA 1.020 57.316 56.287 0.014 0.000 0.945 80 K CB -0.047 32.445 32.500 -0.013 0.000 0.732 80 K HN 0.267 nan 8.250 nan 0.000 0.451 81 D N 0.992 121.371 120.400 -0.035 0.000 2.149 81 D HA -0.081 4.560 4.640 0.001 0.000 0.201 81 D C 1.841 178.089 176.300 -0.086 0.000 0.972 81 D CA 0.940 54.911 54.000 -0.048 0.000 0.835 81 D CB -0.031 40.734 40.800 -0.059 0.000 0.966 81 D HN 0.186 nan 8.370 nan 0.000 0.476 82 I N 1.237 121.732 120.570 -0.126 0.000 2.315 82 I HA -0.210 3.960 4.170 0.001 0.000 0.248 82 I C 1.836 177.854 176.117 -0.165 0.000 1.117 82 I CA 0.844 62.023 61.300 -0.201 0.000 1.404 82 I CB -0.151 37.686 38.000 -0.272 0.000 1.071 82 I HN -0.147 nan 8.210 nan 0.000 0.419 83 D N 1.341 121.695 120.400 -0.077 0.000 2.106 83 D HA -0.182 4.459 4.640 0.001 0.000 0.191 83 D C 2.249 178.533 176.300 -0.027 0.000 0.997 83 D CA 1.532 55.519 54.000 -0.021 0.000 0.834 83 D CB -0.247 40.600 40.800 0.079 0.000 0.956 83 D HN 0.337 nan 8.370 nan 0.000 0.448 84 I N 1.141 121.701 120.570 -0.016 0.000 2.226 84 I HA -0.261 3.910 4.170 0.001 0.000 0.245 84 I C 2.527 178.616 176.117 -0.046 0.000 1.100 84 I CA 1.010 62.301 61.300 -0.015 0.000 1.374 84 I CB -0.226 37.772 38.000 -0.003 0.000 1.057 84 I HN -0.075 nan 8.210 nan 0.000 0.413 85 A N 1.005 123.773 122.820 -0.088 0.000 1.865 85 A HA -0.223 4.098 4.320 0.001 0.000 0.217 85 A C 2.399 179.904 177.584 -0.133 0.000 1.191 85 A CA 1.701 53.668 52.037 -0.116 0.000 0.623 85 A CB -0.621 18.277 19.000 -0.170 0.000 0.826 85 A HN 0.317 nan 8.150 nan 0.000 0.444 86 R N -0.829 119.548 120.500 -0.204 0.000 2.115 86 R HA -0.084 4.256 4.340 0.001 0.000 0.226 86 R C 2.208 178.519 176.300 0.019 0.000 1.100 86 R CA 1.187 57.170 56.100 -0.195 0.000 0.980 86 R CB -0.235 29.820 30.300 -0.408 0.000 0.875 86 R HN 0.789 nan 8.270 nan 0.000 0.445 87 E N 0.758 120.964 120.200 0.011 0.000 2.204 87 E HA -0.153 4.198 4.350 0.001 0.000 0.195 87 E C 0.767 177.382 176.600 0.024 0.000 0.990 87 E CA 0.980 57.401 56.400 0.036 0.000 0.821 87 E CB 0.186 29.895 29.700 0.016 0.000 0.750 87 E HN 0.287 nan 8.360 nan 0.000 0.477 88 N N 0.328 119.032 118.700 0.007 0.000 2.203 88 N HA -0.002 4.738 4.740 0.001 0.000 0.207 88 N C -0.382 175.138 175.510 0.018 0.000 1.130 88 N CA 0.117 53.170 53.050 0.005 0.000 0.861 88 N CB 0.686 39.171 38.487 -0.004 0.000 1.005 88 N HN 0.018 nan 8.380 nan 0.000 0.507 89 N N 0.923 119.649 118.700 0.043 0.000 2.697 89 N HA 0.174 4.914 4.740 0.001 0.000 0.253 89 N C -2.064 173.574 175.510 0.214 0.000 1.604 89 N CA -1.426 51.679 53.050 0.091 0.000 0.772 89 N CB 1.022 39.548 38.487 0.064 0.000 1.267 89 N HN -0.131 nan 8.380 nan 0.000 0.510 90 P HA -0.037 nan 4.420 nan 0.000 0.221 90 P C -0.222 177.256 177.300 0.298 0.000 1.145 90 P CA 1.040 64.311 63.100 0.286 0.000 0.795 90 P CB 0.431 32.112 31.700 -0.031 0.000 0.775 91 D N -0.708 119.825 120.400 0.221 0.000 2.336 91 D HA -0.030 4.611 4.640 0.001 0.000 0.228 91 D C 1.763 178.100 176.300 0.062 0.000 1.120 91 D CA -0.085 53.997 54.000 0.136 0.000 0.839 91 D CB -0.875 40.017 40.800 0.154 0.000 0.932 91 D HN 0.424 nan 8.370 nan 0.000 0.509 92 W N 1.562 122.847 121.300 -0.025 0.000 2.350 92 W HA -0.174 4.486 4.660 0.001 0.000 0.289 92 W C 1.456 177.943 176.519 -0.054 0.000 1.215 92 W CA 0.539 57.844 57.345 -0.066 0.000 1.236 92 W CB -1.173 28.201 29.460 -0.143 0.000 1.130 92 W HN 0.089 nan 8.180 nan 0.000 0.541 93 I N -0.718 119.256 120.570 -0.992 0.000 2.614 93 I HA -0.136 4.034 4.170 0.001 0.000 0.258 93 I C 2.077 177.977 176.117 -0.361 0.000 1.189 93 I CA 1.279 62.033 61.300 -0.910 0.000 1.462 93 I CB -0.837 36.654 38.000 -0.849 0.000 1.092 93 I HN -0.080 nan 8.210 nan 0.000 0.442 94 L N 0.835 121.935 121.223 -0.205 0.000 2.567 94 L HA 0.162 4.503 4.340 0.001 0.000 0.225 94 L C 1.393 178.239 176.870 -0.039 0.000 1.119 94 L CA -0.117 54.668 54.840 -0.093 0.000 0.871 94 L CB -0.067 41.962 42.059 -0.050 0.000 1.036 94 L HN 0.208 nan 8.230 nan 0.000 0.459 95 S N 1.109 116.793 115.700 -0.026 0.000 2.549 95 S HA -0.040 4.430 4.470 0.001 0.000 0.286 95 S C 1.510 176.118 174.600 0.013 0.000 1.314 95 S CA -0.512 57.699 58.200 0.018 0.000 1.062 95 S CB 0.400 63.633 63.200 0.054 0.000 0.865 95 S HN 0.455 nan 8.310 nan 0.000 0.498 96 N N 5.067 123.786 118.700 0.031 0.000 2.453 96 N HA -0.119 4.621 4.740 0.001 0.000 0.183 96 N C 0.940 176.453 175.510 0.006 0.000 1.041 96 N CA 0.775 53.842 53.050 0.028 0.000 0.900 96 N CB -0.184 38.348 38.487 0.075 0.000 0.961 96 N HN 0.635 nan 8.380 nan 0.000 0.443 97 K N -0.068 120.346 120.400 0.023 0.000 2.283 97 K HA 0.003 4.324 4.320 0.001 0.000 0.202 97 K C 0.353 176.969 176.600 0.027 0.000 1.048 97 K CA 0.550 56.852 56.287 0.026 0.000 0.948 97 K CB 0.065 32.592 32.500 0.046 0.000 0.742 97 K HN 0.259 nan 8.250 nan 0.000 0.458 98 Q N 1.069 120.884 119.800 0.024 0.000 2.304 98 Q HA 0.206 4.547 4.340 0.001 0.000 0.260 98 Q C -0.686 175.300 176.000 -0.023 0.000 0.965 98 Q CA 0.137 55.954 55.803 0.022 0.000 0.898 98 Q CB 1.653 30.393 28.738 0.003 0.000 1.196 98 Q HN -0.133 nan 8.270 nan 0.000 0.402 99 V N 1.558 121.464 119.914 -0.014 0.000 2.610 99 V HA 0.575 4.696 4.120 0.001 0.000 0.298 99 V C 0.091 176.160 176.094 -0.041 0.000 1.067 99 V CA -0.850 61.425 62.300 -0.042 0.000 0.894 99 V CB 2.090 33.903 31.823 -0.016 0.000 1.015 99 V HN 0.842 nan 8.190 nan 0.000 0.432 100 G N 2.275 110.982 108.800 -0.156 0.000 2.471 100 G HA2 0.823 4.784 3.960 0.001 0.000 0.332 100 G HA3 0.823 4.784 3.960 0.001 0.000 0.332 100 G C -0.278 174.624 174.900 0.003 0.000 1.176 100 G CA -0.332 44.696 45.100 -0.120 0.000 0.949 100 G HN 1.087 nan 8.290 nan 0.000 0.488 101 G N -1.907 106.942 108.800 0.082 0.000 2.612 101 G HA2 0.670 4.631 3.960 0.001 0.000 0.298 101 G HA3 0.670 4.631 3.960 0.001 0.000 0.298 101 G C -1.703 173.212 174.900 0.024 0.000 1.336 101 G CA -0.509 44.607 45.100 0.028 0.000 0.953 101 G HN 1.304 nan 8.290 nan 0.000 0.482 102 V N 0.095 119.993 119.914 -0.027 0.000 2.841 102 V HA 0.818 4.938 4.120 0.001 0.000 0.310 102 V C -0.460 175.429 176.094 -0.342 0.000 1.090 102 V CA -0.244 61.975 62.300 -0.136 0.000 0.930 102 V CB 1.298 33.155 31.823 0.057 0.000 1.014 102 V HN 1.744 nan 8.190 nan 0.000 0.425 103 C N 3.483 122.523 119.300 -0.435 0.000 3.311 103 C HA 0.698 5.159 4.460 0.001 0.000 0.325 103 C C -1.471 173.352 174.990 -0.278 0.000 1.352 103 C CA -1.083 57.719 59.018 -0.361 0.000 1.308 103 C CB 0.935 28.388 27.740 -0.478 0.000 1.619 103 C HN 0.861 nan 8.230 nan 0.000 0.469 104 Y N 1.255 121.513 120.300 -0.070 0.000 2.327 104 Y HA 0.405 4.955 4.550 0.001 0.000 0.336 104 Y C 1.497 177.439 175.900 0.069 0.000 1.035 104 Y CA 0.065 58.163 58.100 -0.003 0.000 1.165 104 Y CB 1.505 40.020 38.460 0.092 0.000 1.181 104 Y HN 0.606 nan 8.280 nan 0.000 0.494 105 V N 2.536 122.545 119.914 0.160 0.000 2.287 105 V HA -0.323 3.798 4.120 0.001 0.000 0.248 105 V C 1.943 178.136 176.094 0.165 0.000 1.053 105 V CA 2.366 64.752 62.300 0.143 0.000 1.027 105 V CB -0.375 31.483 31.823 0.058 0.000 0.646 105 V HN 0.917 nan 8.190 nan 0.000 0.447 106 D N 0.353 120.849 120.400 0.161 0.000 2.097 106 D HA -0.187 4.453 4.640 0.001 0.000 0.197 106 D C 2.054 178.434 176.300 0.133 0.000 0.984 106 D CA 1.509 55.579 54.000 0.116 0.000 0.826 106 D CB -0.541 40.315 40.800 0.094 0.000 0.973 106 D HN 0.436 nan 8.370 nan 0.000 0.460 107 L N -1.242 120.102 121.223 0.201 0.000 2.093 107 L HA -0.041 4.300 4.340 0.001 0.000 0.208 107 L C 2.638 179.662 176.870 0.256 0.000 1.085 107 L CA 0.892 55.854 54.840 0.204 0.000 0.755 107 L CB -0.443 41.748 42.059 0.219 0.000 0.904 107 L HN -0.051 nan 8.230 nan 0.000 0.435 108 F N -0.001 120.039 119.950 0.149 0.000 2.317 108 F HA 0.109 4.637 4.527 0.001 0.000 0.293 108 F C 1.857 177.640 175.800 -0.028 0.000 1.085 108 F CA 0.944 59.029 58.000 0.142 0.000 1.390 108 F CB 0.227 39.331 39.000 0.173 0.000 1.077 108 F HN -0.060 nan 8.300 nan 0.000 0.517 109 A N -1.368 121.509 122.820 0.095 0.000 2.661 109 A HA 0.574 4.895 4.320 0.001 0.000 0.278 109 A C 1.333 178.881 177.584 -0.060 0.000 1.090 109 A CA 0.517 52.506 52.037 -0.081 0.000 0.969 109 A CB -0.585 18.433 19.000 0.030 0.000 1.240 109 A HN 0.702 nan 8.150 nan 0.000 0.578 110 G N 0.859 109.650 108.800 -0.015 0.000 4.655 110 G HA2 -0.291 3.670 3.960 0.001 0.000 0.220 110 G HA3 -0.291 3.670 3.960 0.001 0.000 0.220 110 G C 0.037 174.936 174.900 -0.001 0.000 1.403 110 G CA 1.215 46.304 45.100 -0.018 0.000 0.931 110 G HN 1.384 nan 8.290 nan 0.000 0.654 111 D N -1.044 119.351 120.400 -0.008 0.000 2.759 111 D HA 0.585 5.226 4.640 0.001 0.000 0.321 111 D C 1.267 177.564 176.300 -0.004 0.000 1.267 111 D CA -0.315 53.680 54.000 -0.008 0.000 0.933 111 D CB 0.009 40.795 40.800 -0.023 0.000 1.431 111 D HN 0.310 nan 8.370 nan 0.000 0.504 112 L N -0.415 120.799 121.223 -0.016 0.000 2.042 112 L HA -0.134 4.207 4.340 0.001 0.000 0.210 112 L C 2.166 179.031 176.870 -0.009 0.000 1.076 112 L CA 1.370 56.202 54.840 -0.013 0.000 0.749 112 L CB -0.450 41.587 42.059 -0.037 0.000 0.893 112 L HN 0.386 nan 8.230 nan 0.000 0.432 113 K N -0.241 120.147 120.400 -0.020 0.000 2.148 113 K HA -0.093 4.228 4.320 0.001 0.000 0.204 113 K C 2.126 178.709 176.600 -0.027 0.000 1.050 113 K CA 1.156 57.430 56.287 -0.022 0.000 0.942 113 K CB -0.390 32.093 32.500 -0.028 0.000 0.724 113 K HN 0.399 nan 8.250 nan 0.000 0.446 114 G N 1.681 110.460 108.800 -0.034 0.000 2.408 114 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 114 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 114 G C 1.352 176.227 174.900 -0.041 0.000 1.150 114 G CA 0.090 45.155 45.100 -0.059 0.000 0.776 114 G HN 0.111 nan 8.290 nan 0.000 0.542 115 L N 0.705 121.940 121.223 0.019 0.000 2.046 115 L HA 0.044 4.385 4.340 0.001 0.000 0.208 115 L C 2.541 179.466 176.870 0.091 0.000 1.077 115 L CA 2.130 57.032 54.840 0.104 0.000 0.747 115 L CB -0.772 41.368 42.059 0.136 0.000 0.896 115 L HN 0.239 nan 8.230 nan 0.000 0.432 116 K N -0.209 120.219 120.400 0.047 0.000 2.113 116 K HA -0.214 4.107 4.320 0.001 0.000 0.208 116 K C 1.487 178.090 176.600 0.005 0.000 1.047 116 K CA 1.885 58.194 56.287 0.037 0.000 0.928 116 K CB 0.038 32.544 32.500 0.010 0.000 0.716 116 K HN 0.367 nan 8.250 nan 0.000 0.446 117 D N 0.151 120.530 120.400 -0.036 0.000 2.348 117 D HA -0.083 4.558 4.640 0.001 0.000 0.216 117 D C 1.256 177.483 176.300 -0.123 0.000 0.970 117 D CA 0.714 54.670 54.000 -0.072 0.000 0.889 117 D CB 0.232 40.976 40.800 -0.093 0.000 0.912 117 D HN 0.084 nan 8.370 nan 0.000 0.524 118 K N 0.371 120.673 120.400 -0.163 0.000 2.426 118 K HA 0.161 4.482 4.320 0.001 0.000 0.193 118 K C 2.019 178.287 176.600 -0.554 0.000 1.028 118 K CA -0.183 55.888 56.287 -0.359 0.000 1.047 118 K CB 0.310 32.575 32.500 -0.391 0.000 0.821 118 K HN 0.264 nan 8.250 nan 0.000 0.513 119 I N 1.696 122.155 120.570 -0.185 0.000 2.194 119 I HA -0.249 3.922 4.170 0.001 0.000 0.246 119 I C -0.852 175.271 176.117 0.010 0.000 1.093 119 I CA 1.455 62.790 61.300 0.059 0.000 1.355 119 I CB -1.229 36.862 38.000 0.152 0.000 1.046 119 I HN 0.037 nan 8.210 nan 0.000 0.413 120 P HA -0.222 nan 4.420 nan 0.000 0.216 120 P C 1.531 178.847 177.300 0.027 0.000 1.150 120 P CA 1.408 64.518 63.100 0.016 0.000 0.837 120 P CB -0.122 31.583 31.700 0.009 0.000 0.786 121 Y N -0.497 119.721 120.300 -0.137 0.000 2.200 121 Y HA -0.185 4.366 4.550 0.001 0.000 0.290 121 Y C 1.919 177.867 175.900 0.080 0.000 1.137 121 Y CA 1.354 59.413 58.100 -0.070 0.000 1.163 121 Y CB -1.106 37.255 38.460 -0.166 0.000 0.988 121 Y HN -0.187 nan 8.280 nan 0.000 0.518 122 F N 0.974 120.890 119.950 -0.058 0.000 2.161 122 F HA -0.262 4.266 4.527 0.001 0.000 0.300 122 F C 2.445 178.175 175.800 -0.116 0.000 1.089 122 F CA 1.713 59.640 58.000 -0.123 0.000 1.282 122 F CB -1.267 37.744 39.000 0.019 0.000 1.010 122 F HN 0.197 nan 8.300 nan 0.000 0.485 123 Q N -0.336 119.536 119.800 0.121 0.000 2.172 123 Q HA -0.191 4.150 4.340 0.001 0.000 0.200 123 Q C 2.198 178.216 176.000 0.031 0.000 0.964 123 Q CA 1.309 57.158 55.803 0.076 0.000 0.855 123 Q CB -0.359 28.425 28.738 0.076 0.000 0.918 123 Q HN 0.540 nan 8.270 nan 0.000 0.444 124 E N 0.889 121.086 120.200 -0.006 0.000 2.077 124 E HA -0.207 4.144 4.350 0.001 0.000 0.193 124 E C 1.919 178.532 176.600 0.021 0.000 0.989 124 E CA 0.719 57.134 56.400 0.025 0.000 0.800 124 E CB 0.053 29.790 29.700 0.061 0.000 0.746 124 E HN 0.212 nan 8.360 nan 0.000 0.452 125 L N -0.122 121.026 121.223 -0.126 0.000 2.201 125 L HA 0.053 4.394 4.340 0.001 0.000 0.212 125 L C 1.416 178.272 176.870 -0.024 0.000 1.105 125 L CA 2.156 56.955 54.840 -0.069 0.000 0.775 125 L CB -0.019 41.927 42.059 -0.188 0.000 0.913 125 L HN 0.358 nan 8.230 nan 0.000 0.440 126 G N -1.245 107.554 108.800 -0.001 0.000 2.138 126 G HA2 -0.196 3.765 3.960 0.001 0.000 0.193 126 G HA3 -0.196 3.765 3.960 0.001 0.000 0.193 126 G C 0.164 175.081 174.900 0.029 0.000 0.998 126 G CA 0.091 45.200 45.100 0.016 0.000 0.668 126 G HN 0.311 nan 8.290 nan 0.000 0.516 127 L N 0.860 122.110 121.223 0.045 0.000 2.456 127 L HA 0.486 4.827 4.340 0.001 0.000 0.272 127 L C 1.713 178.629 176.870 0.076 0.000 1.189 127 L CA 0.903 55.775 54.840 0.053 0.000 0.846 127 L CB 0.934 43.011 42.059 0.029 0.000 1.111 127 L HN 0.406 nan 8.230 nan 0.000 0.475 128 T N -2.004 112.612 114.554 0.103 0.000 3.144 128 T HA 0.145 4.495 4.350 0.001 0.000 0.290 128 T C -0.484 174.346 174.700 0.216 0.000 0.966 128 T CA -0.224 61.956 62.100 0.133 0.000 0.907 128 T CB 0.033 68.978 68.868 0.129 0.000 1.152 128 T HN 0.417 nan 8.240 nan 0.000 0.532 129 Y N 0.894 121.204 120.300 0.017 0.000 2.358 129 Y HA 0.664 5.215 4.550 0.001 0.000 0.324 129 Y C -2.415 173.456 175.900 -0.048 0.000 1.123 129 Y CA -2.297 55.816 58.100 0.022 0.000 1.067 129 Y CB 1.637 40.119 38.460 0.038 0.000 1.230 129 Y HN 0.208 nan 8.280 nan 0.000 0.429 130 L N 8.332 129.577 121.223 0.036 0.000 2.372 130 L HA 0.483 4.824 4.340 0.001 0.000 0.274 130 L C -2.242 174.605 176.870 -0.039 0.000 0.988 130 L CA -0.756 54.037 54.840 -0.078 0.000 0.833 130 L CB 1.068 42.931 42.059 -0.326 0.000 1.236 130 L HN 0.599 nan 8.230 nan 0.000 0.410 131 Y N 6.034 126.294 120.300 -0.067 0.000 2.335 131 Y HA 0.653 5.204 4.550 0.001 0.000 0.339 131 Y C -1.459 174.377 175.900 -0.107 0.000 0.987 131 Y CA -1.449 56.614 58.100 -0.062 0.000 1.140 131 Y CB 0.875 39.400 38.460 0.109 0.000 1.173 131 Y HN 0.548 nan 8.280 nan 0.000 0.486 132 L N 7.200 128.318 121.223 -0.174 0.000 2.309 132 L HA 0.359 4.700 4.340 0.001 0.000 0.282 132 L C 0.016 176.598 176.870 -0.480 0.000 1.036 132 L CA -0.976 53.659 54.840 -0.341 0.000 0.806 132 L CB 1.139 43.113 42.059 -0.142 0.000 1.220 132 L HN 0.563 nan 8.230 nan 0.000 0.429 133 M N 2.391 121.609 119.600 -0.637 0.000 2.207 133 M HA 0.208 4.689 4.480 0.001 0.000 0.311 133 M C -2.050 174.076 176.300 -0.289 0.000 1.127 133 M CA -2.332 52.591 55.300 -0.628 0.000 1.181 133 M CB -0.948 31.029 32.600 -1.037 0.000 1.409 133 M HN 0.185 nan 8.290 nan 0.000 0.461 134 P HA -0.109 nan 4.420 nan 0.000 0.255 134 P C 0.165 177.432 177.300 -0.055 0.000 1.132 134 P CA 0.801 63.796 63.100 -0.174 0.000 0.766 134 P CB -0.009 31.468 31.700 -0.371 0.000 0.715 135 L N 1.980 123.196 121.223 -0.013 0.000 2.609 135 L HA 0.212 4.553 4.340 0.001 0.000 0.230 135 L C 0.852 177.542 176.870 -0.299 0.000 1.087 135 L CA -0.027 54.709 54.840 -0.174 0.000 0.874 135 L CB -0.156 41.717 42.059 -0.310 0.000 1.114 135 L HN 0.242 nan 8.230 nan 0.000 0.488 136 F N 0.625 120.575 119.950 -0.001 0.000 2.370 136 F HA 0.237 4.765 4.527 0.001 0.000 0.319 136 F C 1.048 176.817 175.800 -0.052 0.000 1.129 136 F CA -0.644 57.348 58.000 -0.012 0.000 1.109 136 F CB 0.422 39.424 39.000 0.004 0.000 1.262 136 F HN -0.225 nan 8.300 nan 0.000 0.534 137 K N 1.636 122.104 120.400 0.113 0.000 2.550 137 K HA 0.147 4.468 4.320 0.001 0.000 0.280 137 K C -0.936 175.648 176.600 -0.025 0.000 0.987 137 K CA 0.102 56.392 56.287 0.005 0.000 1.048 137 K CB -0.166 32.314 32.500 -0.033 0.000 0.879 137 K HN 0.810 nan 8.250 nan 0.000 0.491 138 C N 2.053 121.332 119.300 -0.035 0.000 3.291 138 C HA 0.606 5.067 4.460 0.001 0.000 0.316 138 C C -2.854 172.098 174.990 -0.063 0.000 1.391 138 C CA -2.369 56.628 59.018 -0.035 0.000 1.394 138 C CB 0.827 28.576 27.740 0.015 0.000 1.744 138 C HN 0.626 nan 8.230 nan 0.000 0.461 139 P HA 0.209 nan 4.420 nan 0.000 0.266 139 P C -0.306 176.923 177.300 -0.120 0.000 1.195 139 P CA 0.556 63.581 63.100 -0.125 0.000 0.768 139 P CB 0.376 31.962 31.700 -0.190 0.000 0.838 140 E N 1.155 121.289 120.200 -0.110 0.000 2.383 140 E HA 0.338 4.688 4.350 0.001 0.000 0.264 140 E C 1.136 177.665 176.600 -0.118 0.000 1.050 140 E CA 0.450 56.792 56.400 -0.096 0.000 0.896 140 E CB 0.296 29.947 29.700 -0.081 0.000 0.982 140 E HN 0.685 nan 8.360 nan 0.000 0.424 141 G N 3.373 112.109 108.800 -0.107 0.000 2.728 141 G HA2 -0.305 3.656 3.960 0.001 0.000 0.269 141 G HA3 -0.305 3.656 3.960 0.001 0.000 0.269 141 G C -0.527 174.295 174.900 -0.129 0.000 1.334 141 G CA -0.245 44.785 45.100 -0.117 0.000 0.974 141 G HN 0.479 nan 8.290 nan 0.000 0.550 142 K N 1.707 121.993 120.400 -0.190 0.000 2.285 142 K HA 0.535 4.855 4.320 0.001 0.000 0.286 142 K C 0.430 176.740 176.600 -0.484 0.000 1.072 142 K CA 0.495 56.642 56.287 -0.233 0.000 0.913 142 K CB 1.207 33.574 32.500 -0.221 0.000 1.067 142 K HN 0.771 nan 8.250 nan 0.000 0.479 143 S N 1.155 116.777 115.700 -0.129 0.000 3.009 143 S HA 0.014 4.484 4.470 0.001 0.000 0.254 143 S C -0.103 174.743 174.600 0.411 0.000 1.004 143 S CA -0.387 57.820 58.200 0.012 0.000 1.119 143 S CB -0.017 63.211 63.200 0.046 0.000 1.075 143 S HN 0.740 nan 8.310 nan 0.000 0.618 144 D N 1.894 122.609 120.400 0.525 0.000 2.705 144 D HA -0.118 4.523 4.640 0.001 0.000 0.240 144 D C 0.945 177.544 176.300 0.499 0.000 1.137 144 D CA 1.467 55.782 54.000 0.526 0.000 0.677 144 D CB -1.733 39.393 40.800 0.543 0.000 1.049 144 D HN 1.466 nan 8.370 nan 0.000 0.427 145 G N -0.426 108.690 108.800 0.527 0.000 2.341 145 G HA2 0.098 4.059 3.960 0.001 0.000 0.292 145 G HA3 0.098 4.059 3.960 0.001 0.000 0.292 145 G C 1.486 176.610 174.900 0.373 0.000 1.021 145 G CA 0.978 46.393 45.100 0.524 0.000 0.905 145 G HN 1.826 nan 8.290 nan 0.000 0.508 146 G N -2.130 106.833 108.800 0.272 0.000 2.195 146 G HA2 -0.331 3.630 3.960 0.001 0.000 0.246 146 G HA3 -0.331 3.630 3.960 0.001 0.000 0.246 146 G C 0.808 175.734 174.900 0.042 0.000 0.984 146 G CA 0.855 46.023 45.100 0.113 0.000 0.633 146 G HN 0.995 nan 8.290 nan 0.000 0.525 147 Y N 1.125 121.568 120.300 0.238 0.000 2.578 147 Y HA 0.479 5.029 4.550 0.001 0.000 0.297 147 Y C 1.928 178.008 175.900 0.300 0.000 1.176 147 Y CA 0.903 59.147 58.100 0.242 0.000 1.315 147 Y CB 0.520 39.119 38.460 0.232 0.000 1.031 147 Y HN 0.536 nan 8.280 nan 0.000 0.524 148 A N 0.718 123.774 122.820 0.393 0.000 2.540 148 A HA 0.527 4.847 4.320 0.001 0.000 0.340 148 A C -0.606 177.080 177.584 0.170 0.000 1.424 148 A CA -0.475 51.790 52.037 0.380 0.000 0.940 148 A CB -0.391 18.925 19.000 0.526 0.000 1.149 148 A HN 0.012 nan 8.150 nan 0.000 0.505 149 V N 2.330 122.289 119.914 0.076 0.000 2.488 149 V HA 0.139 4.260 4.120 0.001 0.000 0.277 149 V C 1.065 177.068 176.094 -0.153 0.000 1.046 149 V CA 0.448 62.678 62.300 -0.116 0.000 0.986 149 V CB 1.292 32.890 31.823 -0.374 0.000 0.989 149 V HN 0.863 nan 8.190 nan 0.000 0.475 150 S N 2.363 117.950 115.700 -0.188 0.000 2.524 150 S HA 0.168 4.639 4.470 0.001 0.000 0.215 150 S C 0.530 174.801 174.600 -0.549 0.000 0.986 150 S CA 0.281 58.317 58.200 -0.274 0.000 0.911 150 S CB 0.372 63.447 63.200 -0.209 0.000 0.805 150 S HN 0.776 nan 8.310 nan 0.000 0.501 151 S N -0.398 115.022 115.700 -0.467 0.000 2.590 151 S HA 0.408 4.879 4.470 0.001 0.000 0.286 151 S C -0.751 173.643 174.600 -0.345 0.000 1.147 151 S CA -0.573 57.346 58.200 -0.468 0.000 0.963 151 S CB 0.285 63.321 63.200 -0.273 0.000 1.124 151 S HN 0.243 nan 8.310 nan 0.000 0.458 152 Y N 3.039 123.194 120.300 -0.241 0.000 2.544 152 Y HA 0.224 4.775 4.550 0.001 0.000 0.286 152 Y C 2.381 177.907 175.900 -0.624 0.000 1.141 152 Y CA -0.032 57.810 58.100 -0.431 0.000 1.299 152 Y CB 0.296 38.584 38.460 -0.287 0.000 1.030 152 Y HN 0.461 nan 8.280 nan 0.000 0.543 153 R N -0.426 119.945 120.500 -0.215 0.000 2.167 153 R HA 0.091 4.432 4.340 0.001 0.000 0.201 153 R C -0.511 175.943 176.300 0.257 0.000 1.024 153 R CA 0.462 56.430 56.100 -0.220 0.000 1.053 153 R CB -0.239 29.840 30.300 -0.368 0.000 0.987 153 R HN 0.178 nan 8.270 nan 0.000 0.493 154 D N 1.910 122.446 120.400 0.226 0.000 2.280 154 D HA 0.156 4.796 4.640 0.001 0.000 0.243 154 D C 0.022 176.463 176.300 0.236 0.000 1.129 154 D CA -0.264 53.854 54.000 0.197 0.000 0.848 154 D CB 2.279 43.106 40.800 0.045 0.000 1.107 154 D HN -0.290 nan 8.370 nan 0.000 0.471 155 V N 2.847 122.782 119.914 0.036 0.000 2.843 155 V HA -0.057 4.064 4.120 0.001 0.000 0.305 155 V C 1.093 177.115 176.094 -0.120 0.000 1.065 155 V CA -0.553 61.603 62.300 -0.241 0.000 1.116 155 V CB 0.774 32.429 31.823 -0.279 0.000 0.968 155 V HN 0.524 nan 8.190 nan 0.000 0.487 156 N N 6.646 125.261 118.700 -0.142 0.000 2.414 156 N HA 0.011 4.751 4.740 0.001 0.000 0.268 156 N C -1.080 174.388 175.510 -0.070 0.000 1.286 156 N CA -1.346 51.658 53.050 -0.075 0.000 0.896 156 N CB 1.161 39.610 38.487 -0.063 0.000 1.093 156 N HN 0.370 nan 8.380 nan 0.000 0.480 157 P HA -0.188 nan 4.420 nan 0.000 0.218 157 P C 0.724 177.999 177.300 -0.042 0.000 1.146 157 P CA 1.284 64.357 63.100 -0.045 0.000 0.813 157 P CB 0.078 31.754 31.700 -0.039 0.000 0.778 158 A N -0.627 122.169 122.820 -0.040 0.000 2.121 158 A HA -0.051 4.270 4.320 0.001 0.000 0.218 158 A C 2.281 179.846 177.584 -0.032 0.000 1.154 158 A CA 0.997 53.015 52.037 -0.033 0.000 0.679 158 A CB -1.202 17.782 19.000 -0.027 0.000 0.795 158 A HN 0.197 nan 8.150 nan 0.000 0.458 159 L N -2.481 118.717 121.223 -0.043 0.000 2.408 159 L HA 0.390 4.731 4.340 0.001 0.000 0.215 159 L C 1.336 178.174 176.870 -0.053 0.000 1.081 159 L CA 0.471 55.283 54.840 -0.045 0.000 0.840 159 L CB -0.119 41.901 42.059 -0.064 0.000 1.002 159 L HN 0.566 nan 8.230 nan 0.000 0.468 160 G N -0.047 108.718 108.800 -0.059 0.000 2.260 160 G HA2 0.031 3.991 3.960 0.001 0.000 0.250 160 G HA3 0.031 3.991 3.960 0.001 0.000 0.250 160 G C -0.697 174.168 174.900 -0.057 0.000 1.340 160 G CA -0.176 44.892 45.100 -0.052 0.000 1.056 160 G HN 0.062 nan 8.290 nan 0.000 0.471 161 T N -2.055 112.471 114.554 -0.046 0.000 2.927 161 T HA 0.590 4.941 4.350 0.001 0.000 0.286 161 T C 1.357 176.040 174.700 -0.028 0.000 1.040 161 T CA 0.276 62.358 62.100 -0.031 0.000 1.010 161 T CB 1.847 70.709 68.868 -0.009 0.000 1.177 161 T HN 1.392 nan 8.240 nan 0.000 0.546 162 I N 1.445 122.027 120.570 0.020 0.000 2.423 162 I HA 0.101 4.271 4.170 0.001 0.000 0.254 162 I C 2.252 178.393 176.117 0.041 0.000 1.151 162 I CA 1.870 63.213 61.300 0.071 0.000 1.421 162 I CB -0.962 37.160 38.000 0.203 0.000 1.079 162 I HN 0.911 nan 8.210 nan 0.000 0.431 163 G N -0.297 108.519 108.800 0.026 0.000 2.408 163 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 163 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 163 G C 1.408 176.302 174.900 -0.010 0.000 1.150 163 G CA 0.865 45.971 45.100 0.011 0.000 0.776 163 G HN 0.382 nan 8.290 nan 0.000 0.542 164 D N 0.125 120.514 120.400 -0.020 0.000 2.178 164 D HA -0.076 4.565 4.640 0.001 0.000 0.202 164 D C 2.384 178.660 176.300 -0.040 0.000 0.974 164 D CA 0.460 54.442 54.000 -0.030 0.000 0.841 164 D CB -0.118 40.661 40.800 -0.036 0.000 0.953 164 D HN 0.241 nan 8.370 nan 0.000 0.478 165 L N 1.378 122.572 121.223 -0.049 0.000 2.056 165 L HA -0.093 4.248 4.340 0.001 0.000 0.207 165 L C 2.207 179.044 176.870 -0.056 0.000 1.078 165 L CA 1.538 56.341 54.840 -0.060 0.000 0.749 165 L CB -0.308 41.707 42.059 -0.074 0.000 0.901 165 L HN -0.165 nan 8.230 nan 0.000 0.433 166 R N -0.349 120.124 120.500 -0.044 0.000 2.083 166 R HA -0.178 4.162 4.340 0.001 0.000 0.237 166 R C 2.158 178.420 176.300 -0.064 0.000 1.137 166 R CA 1.871 57.937 56.100 -0.057 0.000 0.951 166 R CB -0.404 29.873 30.300 -0.038 0.000 0.851 166 R HN 0.543 nan 8.270 nan 0.000 0.434 167 E N 0.062 120.234 120.200 -0.045 0.000 2.085 167 E HA -0.169 4.181 4.350 0.001 0.000 0.194 167 E C 2.095 178.666 176.600 -0.049 0.000 0.994 167 E CA 1.405 57.781 56.400 -0.040 0.000 0.801 167 E CB -0.034 29.650 29.700 -0.027 0.000 0.743 167 E HN 0.090 nan 8.360 nan 0.000 0.453 168 V N 1.602 121.487 119.914 -0.050 0.000 2.255 168 V HA -0.290 3.831 4.120 0.001 0.000 0.247 168 V C 2.285 178.324 176.094 -0.091 0.000 1.051 168 V CA 1.740 64.013 62.300 -0.045 0.000 1.018 168 V CB -0.434 31.368 31.823 -0.035 0.000 0.641 168 V HN 0.284 nan 8.190 nan 0.000 0.445 169 I N 0.406 120.890 120.570 -0.143 0.000 2.208 169 I HA -0.279 3.891 4.170 0.001 0.000 0.245 169 I C 2.627 178.503 176.117 -0.402 0.000 1.097 169 I CA 1.622 62.751 61.300 -0.285 0.000 1.363 169 I CB -0.618 37.216 38.000 -0.277 0.000 1.051 169 I HN 0.316 nan 8.210 nan 0.000 0.413 170 A N 0.641 123.329 122.820 -0.220 0.000 1.930 170 A HA -0.079 4.242 4.320 0.001 0.000 0.217 170 A C 2.535 180.085 177.584 -0.057 0.000 1.175 170 A CA 1.636 53.598 52.037 -0.124 0.000 0.627 170 A CB -0.680 18.290 19.000 -0.050 0.000 0.815 170 A HN 0.430 nan 8.150 nan 0.000 0.443 171 A N -0.322 122.467 122.820 -0.051 0.000 1.969 171 A HA 0.036 4.356 4.320 0.001 0.000 0.218 171 A C 2.133 179.727 177.584 0.017 0.000 1.169 171 A CA 1.321 53.356 52.037 -0.004 0.000 0.635 171 A CB -0.497 18.506 19.000 0.005 0.000 0.810 171 A HN 0.464 nan 8.150 nan 0.000 0.445 172 L N -1.609 119.600 121.223 -0.023 0.000 2.056 172 L HA -0.182 4.159 4.340 0.001 0.000 0.207 172 L C 2.522 179.444 176.870 0.087 0.000 1.078 172 L CA 1.545 56.395 54.840 0.016 0.000 0.749 172 L CB -0.758 41.273 42.059 -0.048 0.000 0.901 172 L HN 0.534 nan 8.230 nan 0.000 0.433 173 H N -1.069 117.994 119.070 -0.012 0.000 2.387 173 H HA -0.185 4.372 4.556 0.001 0.000 0.299 173 H C 2.213 177.532 175.328 -0.015 0.000 1.090 173 H CA 0.889 56.920 56.048 -0.027 0.000 1.332 173 H CB 0.246 29.982 29.762 -0.044 0.000 1.386 173 H HN 0.254 nan 8.280 nan 0.000 0.516 174 E N 1.463 121.736 120.200 0.122 0.000 2.153 174 E HA -0.115 4.236 4.350 0.001 0.000 0.194 174 E C 1.861 178.497 176.600 0.060 0.000 0.988 174 E CA 0.943 57.383 56.400 0.068 0.000 0.811 174 E CB -0.027 29.701 29.700 0.047 0.000 0.746 174 E HN 0.458 nan 8.360 nan 0.000 0.466 175 A N -0.246 122.618 122.820 0.073 0.000 2.278 175 A HA 0.322 4.643 4.320 0.001 0.000 0.212 175 A C 1.387 179.015 177.584 0.073 0.000 1.213 175 A CA 0.865 52.946 52.037 0.073 0.000 0.840 175 A CB -0.397 18.658 19.000 0.092 0.000 0.866 175 A HN 0.314 nan 8.150 nan 0.000 0.489 176 G N -0.491 108.350 108.800 0.068 0.000 2.198 176 G HA2 -0.221 3.739 3.960 0.001 0.000 0.257 176 G HA3 -0.221 3.739 3.960 0.001 0.000 0.257 176 G C -0.107 174.838 174.900 0.075 0.000 1.042 176 G CA 0.492 45.624 45.100 0.054 0.000 0.791 176 G HN 0.529 nan 8.290 nan 0.000 0.502 177 I N 0.837 121.467 120.570 0.101 0.000 2.436 177 I HA 0.346 4.517 4.170 0.001 0.000 0.289 177 I C 0.465 176.660 176.117 0.129 0.000 1.010 177 I CA -0.751 60.610 61.300 0.102 0.000 1.098 177 I CB 1.996 40.044 38.000 0.079 0.000 1.266 177 I HN 0.072 nan 8.210 nan 0.000 0.434 178 S N 4.171 119.932 115.700 0.102 0.000 2.580 178 S HA 0.541 5.012 4.470 0.001 0.000 0.274 178 S C 0.154 174.738 174.600 -0.027 0.000 1.329 178 S CA -0.648 57.597 58.200 0.076 0.000 1.036 178 S CB 1.337 64.569 63.200 0.053 0.000 0.919 178 S HN 0.683 nan 8.310 nan 0.000 0.515 179 A N 2.803 125.615 122.820 -0.013 0.000 2.274 179 A HA 0.650 4.970 4.320 0.001 0.000 0.309 179 A C -0.614 176.905 177.584 -0.108 0.000 1.226 179 A CA -0.570 51.415 52.037 -0.087 0.000 0.853 179 A CB 0.309 19.243 19.000 -0.110 0.000 1.146 179 A HN 0.612 nan 8.150 nan 0.000 0.518 180 V N 3.705 123.542 119.914 -0.127 0.000 2.588 180 V HA 0.656 4.777 4.120 0.001 0.000 0.304 180 V C -0.035 176.138 176.094 0.131 0.000 1.042 180 V CA -0.382 61.857 62.300 -0.102 0.000 0.877 180 V CB 1.306 32.916 31.823 -0.356 0.000 0.996 180 V HN 1.145 nan 8.190 nan 0.000 0.425 181 V N 0.695 120.687 119.914 0.129 0.000 3.181 181 V HA 0.722 4.843 4.120 0.001 0.000 0.308 181 V C -0.859 175.357 176.094 0.203 0.000 1.214 181 V CA -1.085 61.364 62.300 0.249 0.000 1.053 181 V CB 2.203 34.152 31.823 0.211 0.000 1.069 181 V HN 0.706 nan 8.190 nan 0.000 0.441 182 D N 0.970 121.534 120.400 0.275 0.000 2.304 182 D HA 0.487 5.127 4.640 0.001 0.000 0.247 182 D C -1.110 175.340 176.300 0.251 0.000 1.089 182 D CA 0.250 54.391 54.000 0.234 0.000 0.910 182 D CB 1.221 42.165 40.800 0.239 0.000 1.199 182 D HN 0.627 nan 8.370 nan 0.000 0.426 183 F N 2.867 122.816 119.950 -0.001 0.000 2.451 183 F HA 0.383 4.910 4.527 0.001 0.000 0.367 183 F C -0.848 174.976 175.800 0.040 0.000 1.100 183 F CA -1.053 56.888 58.000 -0.097 0.000 1.171 183 F CB 0.181 38.948 39.000 -0.389 0.000 1.405 183 F HN 0.286 nan 8.300 nan 0.000 0.482 184 I N 7.455 128.017 120.570 -0.014 0.000 2.268 184 I HA -0.019 4.152 4.170 0.001 0.000 0.298 184 I C 0.502 176.542 176.117 -0.127 0.000 1.185 184 I CA -0.037 61.276 61.300 0.022 0.000 1.548 184 I CB -0.457 37.616 38.000 0.121 0.000 1.492 184 I HN 0.504 nan 8.210 nan 0.000 0.711 185 F N 2.578 122.145 119.950 -0.638 0.000 2.727 185 F HA 0.196 4.724 4.527 0.001 0.000 0.302 185 F C 1.471 177.246 175.800 -0.041 0.000 1.097 185 F CA -0.268 57.378 58.000 -0.589 0.000 1.330 185 F CB -0.904 37.424 39.000 -1.120 0.000 1.084 185 F HN 0.344 nan 8.300 nan 0.000 0.578 186 N N 0.343 118.865 118.700 -0.297 0.000 2.424 186 N HA -0.070 4.671 4.740 0.001 0.000 0.178 186 N C -0.345 175.286 175.510 0.202 0.000 1.060 186 N CA 0.617 53.620 53.050 -0.078 0.000 0.901 186 N CB 0.147 38.689 38.487 0.092 0.000 0.979 186 N HN 0.586 nan 8.380 nan 0.000 0.451 187 H N -2.205 117.008 119.070 0.239 0.000 3.003 187 H HA 0.261 4.817 4.556 0.001 0.000 0.327 187 H C -1.142 174.379 175.328 0.321 0.000 1.353 187 H CA -0.685 55.560 56.048 0.328 0.000 1.142 187 H CB 1.012 30.996 29.762 0.371 0.000 1.864 187 H HN -0.019 nan 8.280 nan 0.000 0.529 188 T N -1.476 113.360 114.554 0.471 0.000 2.888 188 T HA 0.505 4.856 4.350 0.001 0.000 0.288 188 T C 0.244 175.087 174.700 0.239 0.000 1.063 188 T CA -0.370 61.878 62.100 0.248 0.000 1.010 188 T CB 1.513 70.435 68.868 0.091 0.000 1.214 188 T HN 0.845 nan 8.240 nan 0.000 0.533 189 S N 1.028 116.792 115.700 0.106 0.000 2.593 189 S HA 0.170 4.641 4.470 0.001 0.000 0.269 189 S C 1.064 175.517 174.600 -0.246 0.000 1.334 189 S CA -0.335 57.897 58.200 0.053 0.000 1.015 189 S CB 0.162 63.382 63.200 0.033 0.000 0.912 189 S HN 0.897 nan 8.310 nan 0.000 0.541 190 N N 0.458 118.883 118.700 -0.458 0.000 2.571 190 N HA -0.059 4.681 4.740 0.001 0.000 0.189 190 N C 0.585 175.710 175.510 -0.642 0.000 1.154 190 N CA 0.555 52.949 53.050 -1.093 0.000 0.907 190 N CB -0.451 37.451 38.487 -0.975 0.000 0.977 190 N HN 0.842 nan 8.380 nan 0.000 0.449 191 E N -0.929 119.068 120.200 -0.338 0.000 2.481 191 E HA 0.004 4.354 4.350 0.001 0.000 0.198 191 E C -0.166 176.304 176.600 -0.217 0.000 1.027 191 E CA -0.312 55.943 56.400 -0.242 0.000 0.900 191 E CB 0.179 29.774 29.700 -0.175 0.000 0.993 191 E HN 0.400 nan 8.360 nan 0.000 0.482 192 H N 1.655 120.540 119.070 -0.308 0.000 2.871 192 H HA -0.034 4.523 4.556 0.001 0.000 0.355 192 H C 1.070 176.233 175.328 -0.276 0.000 1.092 192 H CA 0.958 56.821 56.048 -0.309 0.000 1.420 192 H CB 1.116 30.691 29.762 -0.312 0.000 1.400 192 H HN 0.145 nan 8.280 nan 0.000 0.604 193 E N 3.531 123.573 120.200 -0.264 0.000 2.118 193 E HA -0.193 4.157 4.350 0.001 0.000 0.195 193 E C 1.232 177.811 176.600 -0.035 0.000 0.992 193 E CA 1.293 57.610 56.400 -0.138 0.000 0.804 193 E CB 0.004 29.597 29.700 -0.178 0.000 0.741 193 E HN 0.642 nan 8.360 nan 0.000 0.458 194 W N 0.319 121.627 121.300 0.014 0.000 2.358 194 W HA -0.034 4.627 4.660 0.001 0.000 0.303 194 W C 2.470 178.964 176.519 -0.041 0.000 1.208 194 W CA 0.850 57.971 57.345 -0.373 0.000 1.274 194 W CB -1.353 28.144 29.460 0.061 0.000 1.138 194 W HN 0.197 nan 8.180 nan 0.000 0.515 195 A N 0.397 123.355 122.820 0.229 0.000 1.877 195 A HA -0.252 4.069 4.320 0.001 0.000 0.216 195 A C 2.016 179.536 177.584 -0.106 0.000 1.186 195 A CA 1.999 53.907 52.037 -0.216 0.000 0.620 195 A CB -0.951 17.607 19.000 -0.736 0.000 0.822 195 A HN 0.395 nan 8.150 nan 0.000 0.443 196 Q N -0.679 119.037 119.800 -0.140 0.000 2.020 196 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 196 Q C 2.380 178.366 176.000 -0.023 0.000 0.982 196 Q CA 1.731 57.482 55.803 -0.087 0.000 0.838 196 Q CB -0.222 28.449 28.738 -0.112 0.000 0.899 196 Q HN 0.618 nan 8.270 nan 0.000 0.423 197 R N -0.144 120.305 120.500 -0.086 0.000 2.096 197 R HA -0.117 4.223 4.340 0.001 0.000 0.235 197 R C 2.568 178.913 176.300 0.075 0.000 1.127 197 R CA 1.200 57.262 56.100 -0.063 0.000 0.968 197 R CB -0.641 29.500 30.300 -0.264 0.000 0.861 197 R HN 0.349 nan 8.270 nan 0.000 0.440 198 C N 0.588 119.977 119.300 0.148 0.000 2.462 198 C HA 0.007 4.468 4.460 0.001 0.000 0.278 198 C C 2.929 178.055 174.990 0.228 0.000 1.253 198 C CA 1.062 60.256 59.018 0.294 0.000 1.713 198 C CB -0.893 27.164 27.740 0.529 0.000 2.049 198 C HN 0.567 nan 8.230 nan 0.000 0.477 199 A N 0.209 123.167 122.820 0.231 0.000 1.972 199 A HA 0.156 4.477 4.320 0.001 0.000 0.219 199 A C 2.346 180.006 177.584 0.126 0.000 1.169 199 A CA 1.940 54.097 52.037 0.200 0.000 0.635 199 A CB -1.004 18.177 19.000 0.302 0.000 0.810 199 A HN 0.925 nan 8.150 nan 0.000 0.446 200 A N -1.784 121.097 122.820 0.101 0.000 2.209 200 A HA 0.370 4.691 4.320 0.001 0.000 0.212 200 A C 1.834 179.460 177.584 0.070 0.000 1.158 200 A CA 1.341 53.420 52.037 0.069 0.000 0.742 200 A CB -0.926 18.101 19.000 0.045 0.000 0.790 200 A HN 1.909 nan 8.150 nan 0.000 0.472 201 G N -0.564 108.290 108.800 0.090 0.000 2.132 201 G HA2 -0.225 3.735 3.960 0.001 0.000 0.234 201 G HA3 -0.225 3.735 3.960 0.001 0.000 0.234 201 G C -0.118 174.830 174.900 0.081 0.000 0.989 201 G CA 0.210 45.359 45.100 0.082 0.000 0.676 201 G HN 0.591 nan 8.290 nan 0.000 0.522 202 D N 1.069 121.529 120.400 0.100 0.000 2.434 202 D HA 0.198 4.839 4.640 0.001 0.000 0.252 202 D C 0.117 176.473 176.300 0.094 0.000 1.185 202 D CA -0.947 53.115 54.000 0.104 0.000 0.886 202 D CB 1.317 42.211 40.800 0.157 0.000 1.148 202 D HN 0.223 nan 8.370 nan 0.000 0.483 203 P HA -0.158 nan 4.420 nan 0.000 0.222 203 P C 1.540 178.801 177.300 -0.066 0.000 1.147 203 P CA 0.280 63.382 63.100 0.003 0.000 0.790 203 P CB 0.353 32.047 31.700 -0.012 0.000 0.780 204 L N -1.709 119.454 121.223 -0.099 0.000 2.376 204 L HA 0.119 4.459 4.340 0.001 0.000 0.219 204 L C 1.179 177.648 176.870 -0.668 0.000 1.133 204 L CA 1.515 56.154 54.840 -0.335 0.000 0.816 204 L CB -0.931 40.955 42.059 -0.288 0.000 0.933 204 L HN -0.230 nan 8.230 nan 0.000 0.449 205 F N -0.896 118.920 119.950 -0.224 0.000 2.805 205 F HA 0.278 4.806 4.527 0.001 0.000 0.317 205 F C 0.424 176.236 175.800 0.020 0.000 1.146 205 F CA -1.221 56.569 58.000 -0.349 0.000 1.265 205 F CB -0.084 38.678 39.000 -0.397 0.000 0.992 205 F HN -0.014 nan 8.300 nan 0.000 0.511 206 D N 0.319 120.805 120.400 0.143 0.000 2.424 206 D HA 0.009 4.650 4.640 0.001 0.000 0.244 206 D C 0.869 177.305 176.300 0.227 0.000 1.134 206 D CA 0.845 54.946 54.000 0.168 0.000 0.881 206 D CB 0.423 41.277 40.800 0.090 0.000 1.191 206 D HN 0.129 nan 8.370 nan 0.000 0.445 207 N N 2.182 120.988 118.700 0.177 0.000 2.747 207 N HA -0.245 4.496 4.740 0.001 0.000 0.249 207 N C -0.239 175.300 175.510 0.050 0.000 1.107 207 N CA 0.404 53.499 53.050 0.074 0.000 0.707 207 N CB -1.416 37.086 38.487 0.025 0.000 1.054 207 N HN 0.412 nan 8.380 nan 0.000 0.555 208 F N -0.985 118.962 119.950 -0.007 0.000 2.615 208 F HA 0.246 4.773 4.527 0.001 0.000 0.297 208 F C 0.570 176.079 175.800 -0.485 0.000 1.124 208 F CA 0.736 58.633 58.000 -0.171 0.000 1.451 208 F CB 0.145 39.173 39.000 0.047 0.000 1.103 208 F HN 0.129 nan 8.300 nan 0.000 0.569 209 Y N -3.203 117.143 120.300 0.076 0.000 2.805 209 Y HA 0.403 4.954 4.550 0.001 0.000 0.323 209 Y C -1.193 174.578 175.900 -0.215 0.000 1.279 209 Y CA -1.835 56.270 58.100 0.009 0.000 1.103 209 Y CB 0.454 39.080 38.460 0.277 0.000 1.324 209 Y HN -0.341 nan 8.280 nan 0.000 0.498 210 Y N 1.764 122.190 120.300 0.209 0.000 2.593 210 Y HA 0.538 5.089 4.550 0.001 0.000 0.331 210 Y C -0.559 175.245 175.900 -0.161 0.000 0.986 210 Y CA -0.454 57.665 58.100 0.033 0.000 1.262 210 Y CB 0.306 38.982 38.460 0.361 0.000 1.098 210 Y HN 0.148 nan 8.280 nan 0.000 0.506 211 I N 4.078 124.466 120.570 -0.305 0.000 2.404 211 I HA 0.438 4.609 4.170 0.001 0.000 0.293 211 I C -0.888 174.895 176.117 -0.556 0.000 0.992 211 I CA -0.724 60.406 61.300 -0.283 0.000 1.149 211 I CB 1.345 39.275 38.000 -0.117 0.000 1.315 211 I HN 0.290 nan 8.210 nan 0.000 0.446 212 F N 5.943 126.000 119.950 0.179 0.000 2.561 212 F HA 0.451 4.979 4.527 0.001 0.000 0.321 212 F C -1.545 174.341 175.800 0.143 0.000 1.065 212 F CA -1.851 56.236 58.000 0.145 0.000 0.934 212 F CB 1.065 40.120 39.000 0.091 0.000 1.215 212 F HN 0.289 nan 8.300 nan 0.000 0.471 213 P HA -0.060 nan 4.420 nan 0.000 0.219 213 P C -0.588 176.855 177.300 0.239 0.000 1.150 213 P CA 1.531 64.749 63.100 0.198 0.000 0.814 213 P CB 0.303 32.087 31.700 0.140 0.000 0.787 214 D N -3.117 117.424 120.400 0.235 0.000 3.057 214 D HA 0.214 4.855 4.640 0.001 0.000 0.328 214 D C 0.734 176.949 176.300 -0.142 0.000 1.317 214 D CA -0.722 53.385 54.000 0.179 0.000 0.973 214 D CB 0.009 40.848 40.800 0.066 0.000 1.424 214 D HN -0.397 nan 8.370 nan 0.000 0.569 215 R N -0.293 119.982 120.500 -0.374 0.000 2.310 215 R HA 0.214 4.555 4.340 0.001 0.000 0.202 215 R C 1.755 177.754 176.300 -0.502 0.000 0.933 215 R CA 0.063 55.750 56.100 -0.689 0.000 1.054 215 R CB -0.500 29.380 30.300 -0.700 0.000 0.985 215 R HN 0.484 nan 8.270 nan 0.000 0.489 216 R N 0.596 120.898 120.500 -0.330 0.000 2.097 216 R HA -0.091 4.250 4.340 0.001 0.000 0.236 216 R C 1.935 177.998 176.300 -0.394 0.000 1.135 216 R CA 1.821 57.749 56.100 -0.287 0.000 0.934 216 R CB -0.045 30.150 30.300 -0.175 0.000 0.846 216 R HN 0.094 nan 8.270 nan 0.000 0.431 217 M N -0.693 118.619 119.600 -0.480 0.000 2.193 217 M HA -0.014 4.467 4.480 0.001 0.000 0.265 217 M C -0.947 174.835 176.300 -0.864 0.000 1.071 217 M CA 1.086 55.985 55.300 -0.668 0.000 1.140 217 M CB -0.517 31.672 32.600 -0.685 0.000 1.369 217 M HN 0.094 nan 8.290 nan 0.000 0.423 218 P HA -0.164 nan 4.420 nan 0.000 0.216 218 P C 0.606 177.413 177.300 -0.822 0.000 1.153 218 P CA 1.352 63.495 63.100 -1.596 0.000 0.858 218 P CB -0.105 30.594 31.700 -1.668 0.000 0.789 219 D N -1.066 118.961 120.400 -0.621 0.000 2.144 219 D HA -0.156 4.485 4.640 0.001 0.000 0.199 219 D C 2.081 178.196 176.300 -0.308 0.000 0.984 219 D CA 1.108 54.870 54.000 -0.396 0.000 0.834 219 D CB -0.514 40.083 40.800 -0.338 0.000 0.955 219 D HN 0.314 nan 8.370 nan 0.000 0.465 220 Q N -0.709 118.867 119.800 -0.373 0.000 2.046 220 Q HA -0.159 4.182 4.340 0.001 0.000 0.200 220 Q C 2.089 177.929 176.000 -0.266 0.000 0.975 220 Q CA 0.978 56.582 55.803 -0.331 0.000 0.836 220 Q CB -0.181 28.299 28.738 -0.430 0.000 0.896 220 Q HN 0.381 nan 8.270 nan 0.000 0.428 221 Y N 1.415 121.549 120.300 -0.275 0.000 2.145 221 Y HA -0.206 4.345 4.550 0.001 0.000 0.286 221 Y C 1.940 177.780 175.900 -0.100 0.000 1.145 221 Y CA 1.247 59.249 58.100 -0.163 0.000 1.148 221 Y CB -0.313 38.012 38.460 -0.226 0.000 0.981 221 Y HN 0.113 nan 8.280 nan 0.000 0.507 222 D N -0.355 120.070 120.400 0.042 0.000 2.354 222 D HA -0.137 4.504 4.640 0.001 0.000 0.216 222 D C 1.967 178.256 176.300 -0.018 0.000 0.970 222 D CA 0.797 54.801 54.000 0.006 0.000 0.905 222 D CB -0.226 40.549 40.800 -0.042 0.000 0.903 222 D HN 0.355 nan 8.370 nan 0.000 0.508 223 R N -0.557 119.922 120.500 -0.034 0.000 2.152 223 R HA -0.048 4.292 4.340 0.001 0.000 0.232 223 R C 1.599 177.897 176.300 -0.004 0.000 1.117 223 R CA 1.532 57.612 56.100 -0.034 0.000 0.981 223 R CB -0.055 30.214 30.300 -0.052 0.000 0.870 223 R HN 0.243 nan 8.270 nan 0.000 0.451 224 T N -3.082 111.489 114.554 0.027 0.000 3.091 224 T HA 0.320 4.671 4.350 0.001 0.000 0.277 224 T C 0.342 175.079 174.700 0.062 0.000 0.996 224 T CA -0.375 61.752 62.100 0.045 0.000 0.897 224 T CB 0.221 69.126 68.868 0.062 0.000 1.109 224 T HN -0.096 nan 8.240 nan 0.000 0.534 225 L N 1.944 123.198 121.223 0.053 0.000 2.312 225 L HA 0.527 4.868 4.340 0.001 0.000 0.281 225 L C 0.723 177.603 176.870 0.017 0.000 1.070 225 L CA -1.060 53.809 54.840 0.049 0.000 0.805 225 L CB 1.148 43.216 42.059 0.016 0.000 1.174 225 L HN 0.083 nan 8.230 nan 0.000 0.434 226 R N 2.320 122.838 120.500 0.030 0.000 2.441 226 R HA 0.211 4.551 4.340 0.001 0.000 0.284 226 R C -0.623 175.645 176.300 -0.053 0.000 1.070 226 R CA -0.437 55.667 56.100 0.006 0.000 1.047 226 R CB 0.845 31.172 30.300 0.046 0.000 1.016 226 R HN 0.605 nan 8.270 nan 0.000 0.477 227 E N 4.353 124.501 120.200 -0.088 0.000 2.115 227 E HA 0.109 4.459 4.350 0.001 0.000 0.282 227 E C 0.739 177.215 176.600 -0.207 0.000 0.987 227 E CA -0.490 55.814 56.400 -0.160 0.000 0.797 227 E CB 1.193 30.806 29.700 -0.144 0.000 1.086 227 E HN 0.441 nan 8.360 nan 0.000 0.397 228 I N 1.772 122.136 120.570 -0.342 0.000 2.339 228 I HA -0.062 4.109 4.170 0.001 0.000 0.245 228 I C 0.697 176.533 176.117 -0.468 0.000 1.096 228 I CA 1.054 62.072 61.300 -0.469 0.000 1.408 228 I CB -0.182 37.363 38.000 -0.759 0.000 1.092 228 I HN 0.433 nan 8.210 nan 0.000 0.423 229 F N 2.764 122.579 119.950 -0.226 0.000 2.449 229 F HA 0.376 4.903 4.527 0.001 0.000 0.329 229 F C -1.453 174.150 175.800 -0.329 0.000 1.245 229 F CA -3.230 54.615 58.000 -0.259 0.000 1.193 229 F CB -0.139 38.760 39.000 -0.169 0.000 1.425 229 F HN -0.065 nan 8.300 nan 0.000 0.544 230 P HA -0.176 nan 4.420 nan 0.000 0.219 230 P C 0.793 178.031 177.300 -0.104 0.000 1.146 230 P CA 1.389 64.397 63.100 -0.153 0.000 0.808 230 P CB 0.532 32.145 31.700 -0.146 0.000 0.779 231 D N -0.566 119.785 120.400 -0.081 0.000 2.219 231 D HA -0.122 4.519 4.640 0.001 0.000 0.205 231 D C 2.224 178.525 176.300 0.002 0.000 0.970 231 D CA 0.993 54.972 54.000 -0.035 0.000 0.851 231 D CB -0.246 40.528 40.800 -0.044 0.000 0.943 231 D HN 0.218 nan 8.370 nan 0.000 0.488 232 Q N -0.211 119.581 119.800 -0.013 0.000 2.163 232 Q HA 0.026 4.366 4.340 0.001 0.000 0.198 232 Q C 0.363 176.443 176.000 0.133 0.000 0.954 232 Q CA 1.012 56.850 55.803 0.058 0.000 0.851 232 Q CB 0.148 28.937 28.738 0.084 0.000 0.928 232 Q HN 0.597 nan 8.270 nan 0.000 0.459 233 H N -3.303 115.808 119.070 0.069 0.000 3.043 233 H HA 0.415 4.972 4.556 0.001 0.000 0.317 233 H C -3.028 172.321 175.328 0.036 0.000 1.321 233 H CA -1.758 54.330 56.048 0.067 0.000 1.243 233 H CB 0.363 30.178 29.762 0.088 0.000 1.924 233 H HN -0.246 nan 8.280 nan 0.000 0.527 234 P HA 0.369 nan 4.420 nan 0.000 0.276 234 P C 0.772 178.184 177.300 0.187 0.000 1.252 234 P CA 1.003 64.162 63.100 0.099 0.000 0.802 234 P CB 0.959 32.702 31.700 0.071 0.000 1.035 235 G N 0.919 109.754 108.800 0.059 0.000 2.591 235 G HA2 -0.182 3.779 3.960 0.001 0.000 0.278 235 G HA3 -0.182 3.779 3.960 0.001 0.000 0.278 235 G C 0.626 175.549 174.900 0.038 0.000 1.293 235 G CA 0.069 45.193 45.100 0.040 0.000 0.930 235 G HN 0.812 nan 8.290 nan 0.000 0.562 236 G N -1.361 107.332 108.800 -0.179 0.000 3.690 236 G HA2 0.573 4.534 3.960 0.001 0.000 0.283 236 G HA3 0.573 4.534 3.960 0.001 0.000 0.283 236 G C -0.214 174.044 174.900 -1.070 0.000 1.057 236 G CA -0.060 44.709 45.100 -0.550 0.000 0.821 236 G HN 0.479 nan 8.290 nan 0.000 0.526 237 F N -0.110 119.674 119.950 -0.277 0.000 2.588 237 F HA 0.724 5.252 4.527 0.001 0.000 0.314 237 F C 0.192 175.934 175.800 -0.096 0.000 1.069 237 F CA -0.967 56.917 58.000 -0.194 0.000 0.931 237 F CB 2.376 41.300 39.000 -0.126 0.000 1.260 237 F HN -0.165 nan 8.300 nan 0.000 0.465 238 S N 0.383 116.180 115.700 0.161 0.000 2.548 238 S HA 0.409 4.880 4.470 0.001 0.000 0.286 238 S C -1.230 173.279 174.600 -0.152 0.000 1.098 238 S CA -0.826 57.380 58.200 0.010 0.000 0.930 238 S CB 2.069 65.189 63.200 -0.134 0.000 1.070 238 S HN 0.622 nan 8.310 nan 0.000 0.480 239 Q N 2.402 121.808 119.800 -0.657 0.000 2.243 239 Q HA 0.541 4.882 4.340 0.001 0.000 0.252 239 Q C -1.063 174.627 176.000 -0.518 0.000 0.909 239 Q CA -0.556 54.552 55.803 -1.158 0.000 0.922 239 Q CB 0.572 28.209 28.738 -1.835 0.000 1.215 239 Q HN 0.602 nan 8.270 nan 0.000 0.427 240 L N 2.848 123.821 121.223 -0.415 0.000 2.456 240 L HA 0.171 4.512 4.340 0.001 0.000 0.257 240 L C 1.316 178.093 176.870 -0.155 0.000 1.162 240 L CA -0.357 54.380 54.840 -0.172 0.000 0.808 240 L CB 0.522 42.517 42.059 -0.108 0.000 1.136 240 L HN 0.830 nan 8.230 nan 0.000 0.466 241 E N 0.765 120.931 120.200 -0.058 0.000 2.118 241 E HA -0.239 4.112 4.350 0.001 0.000 0.195 241 E C 0.977 177.546 176.600 -0.051 0.000 0.992 241 E CA 1.642 58.014 56.400 -0.047 0.000 0.804 241 E CB -0.081 29.614 29.700 -0.008 0.000 0.741 241 E HN 0.777 nan 8.360 nan 0.000 0.458 242 D N -0.909 119.467 120.400 -0.041 0.000 2.363 242 D HA -0.003 4.638 4.640 0.001 0.000 0.226 242 D C 1.253 177.527 176.300 -0.044 0.000 1.020 242 D CA 0.832 54.816 54.000 -0.027 0.000 0.892 242 D CB 0.226 41.024 40.800 -0.003 0.000 0.900 242 D HN 0.243 nan 8.370 nan 0.000 0.531 243 G N -0.347 108.389 108.800 -0.106 0.000 2.234 243 G HA2 -0.310 3.650 3.960 0.001 0.000 0.235 243 G HA3 -0.310 3.650 3.960 0.001 0.000 0.235 243 G C 0.519 175.322 174.900 -0.162 0.000 0.997 243 G CA -0.078 44.949 45.100 -0.122 0.000 0.623 243 G HN 0.455 nan 8.290 nan 0.000 0.514 244 R N -0.935 119.490 120.500 -0.124 0.000 2.726 244 R HA 0.480 4.821 4.340 0.001 0.000 0.272 244 R C -0.479 175.689 176.300 -0.219 0.000 1.097 244 R CA 0.039 56.120 56.100 -0.033 0.000 1.198 244 R CB 0.362 30.665 30.300 0.006 0.000 1.114 244 R HN 0.247 nan 8.270 nan 0.000 0.550 245 W N 0.173 121.498 121.300 0.042 0.000 2.702 245 W HA 0.501 5.161 4.660 0.001 0.000 0.331 245 W C -0.774 175.815 176.519 0.117 0.000 1.049 245 W CA -0.514 56.867 57.345 0.061 0.000 1.230 245 W CB 1.572 31.064 29.460 0.052 0.000 1.408 245 W HN 0.137 nan 8.180 nan 0.000 0.492 246 V N 4.023 124.057 119.914 0.200 0.000 2.680 246 V HA 0.478 4.598 4.120 0.001 0.000 0.309 246 V C -0.982 175.266 176.094 0.258 0.000 1.052 246 V CA -0.999 61.328 62.300 0.045 0.000 0.908 246 V CB 1.565 32.933 31.823 -0.758 0.000 1.001 246 V HN 0.617 nan 8.190 nan 0.000 0.431 247 W N 5.610 127.030 121.300 0.199 0.000 2.381 247 W HA 0.390 5.051 4.660 0.001 0.000 0.321 247 W C -0.054 176.347 176.519 -0.195 0.000 1.407 247 W CA 0.438 57.699 57.345 -0.140 0.000 1.274 247 W CB 0.867 30.276 29.460 -0.086 0.000 1.310 247 W HN 0.770 nan 8.180 nan 0.000 0.551 248 T N 1.774 116.311 114.554 -0.029 0.000 3.133 248 T HA 0.132 4.482 4.350 0.001 0.000 0.368 248 T C 0.729 175.379 174.700 -0.083 0.000 1.190 248 T CA -0.502 61.604 62.100 0.009 0.000 1.282 248 T CB 0.831 69.662 68.868 -0.061 0.000 1.042 248 T HN 0.265 nan 8.240 nan 0.000 0.536 249 T N 2.296 116.742 114.554 -0.180 0.000 2.759 249 T HA 0.044 4.394 4.350 0.001 0.000 0.269 249 T C 0.466 174.644 174.700 -0.870 0.000 1.042 249 T CA 1.648 63.370 62.100 -0.631 0.000 1.140 249 T CB -0.315 67.851 68.868 -1.169 0.000 0.864 249 T HN 0.567 nan 8.240 nan 0.000 0.455 250 F N 0.345 120.168 119.950 -0.212 0.000 2.812 250 F HA 0.374 4.901 4.527 0.001 0.000 0.156 250 F C 1.336 177.231 175.800 0.157 0.000 1.267 250 F CA -1.049 56.859 58.000 -0.153 0.000 0.923 250 F CB -0.533 38.314 39.000 -0.255 0.000 2.108 250 F HN -0.180 nan 8.300 nan 0.000 0.583 251 N N 0.238 119.087 118.700 0.247 0.000 2.444 251 N HA 0.029 4.770 4.740 0.001 0.000 0.255 251 N C 0.842 176.245 175.510 -0.179 0.000 1.255 251 N CA 0.217 53.172 53.050 -0.158 0.000 0.933 251 N CB 1.174 39.013 38.487 -1.079 0.000 1.143 251 N HN 0.224 nan 8.380 nan 0.000 0.453 252 S N 0.313 115.957 115.700 -0.093 0.000 2.419 252 S HA -0.130 4.341 4.470 0.001 0.000 0.233 252 S C 1.277 175.999 174.600 0.202 0.000 1.016 252 S CA 1.069 59.305 58.200 0.060 0.000 0.974 252 S CB -0.308 62.978 63.200 0.142 0.000 0.786 252 S HN 0.617 nan 8.310 nan 0.000 0.492 253 F N 0.943 121.053 119.950 0.267 0.000 2.773 253 F HA 0.451 4.978 4.527 0.001 0.000 0.304 253 F C 0.334 176.239 175.800 0.174 0.000 1.129 253 F CA -0.656 57.456 58.000 0.186 0.000 1.378 253 F CB -0.593 38.470 39.000 0.105 0.000 1.095 253 F HN -0.016 nan 8.300 nan 0.000 0.565 254 Q N 0.979 120.895 119.800 0.193 0.000 2.357 254 Q HA 0.232 4.572 4.340 0.001 0.000 0.266 254 Q C -1.593 174.729 176.000 0.536 0.000 1.021 254 Q CA -0.621 55.368 55.803 0.309 0.000 0.784 254 Q CB 1.171 29.996 28.738 0.144 0.000 1.243 254 Q HN 0.220 nan 8.270 nan 0.000 0.465 255 W N 2.071 123.534 121.300 0.272 0.000 2.349 255 W HA 0.266 4.927 4.660 0.001 0.000 0.309 255 W C -0.409 176.427 176.519 0.529 0.000 1.083 255 W CA -1.456 56.083 57.345 0.323 0.000 1.224 255 W CB 0.587 30.125 29.460 0.130 0.000 1.256 255 W HN 0.498 nan 8.180 nan 0.000 0.461 256 D N 2.584 123.357 120.400 0.622 0.000 2.450 256 D HA 0.099 4.740 4.640 0.001 0.000 0.247 256 D C 0.276 176.851 176.300 0.460 0.000 1.162 256 D CA 0.341 54.615 54.000 0.456 0.000 0.879 256 D CB 0.624 41.501 40.800 0.127 0.000 1.163 256 D HN 0.061 nan 8.370 nan 0.000 0.472 257 L N 2.601 123.965 121.223 0.236 0.000 2.426 257 L HA 0.103 4.444 4.340 0.001 0.000 0.271 257 L C 0.995 177.734 176.870 -0.218 0.000 1.169 257 L CA -0.049 54.679 54.840 -0.186 0.000 0.836 257 L CB 0.371 42.270 42.059 -0.266 0.000 1.112 257 L HN 0.413 nan 8.230 nan 0.000 0.465 258 N N 1.350 119.719 118.700 -0.551 0.000 2.719 258 N HA 0.079 4.820 4.740 0.001 0.000 0.243 258 N C 0.155 175.401 175.510 -0.440 0.000 1.104 258 N CA -0.353 52.272 53.050 -0.709 0.000 0.981 258 N CB 0.304 38.164 38.487 -1.045 0.000 1.290 258 N HN 0.469 nan 8.380 nan 0.000 0.513 259 Y N 0.863 121.135 120.300 -0.047 0.000 2.632 259 Y HA -0.104 4.447 4.550 0.001 0.000 0.301 259 Y C 2.359 178.464 175.900 0.340 0.000 1.172 259 Y CA 0.410 58.617 58.100 0.178 0.000 1.328 259 Y CB 0.112 38.771 38.460 0.332 0.000 1.016 259 Y HN 0.584 nan 8.280 nan 0.000 0.529 260 S N -1.062 114.742 115.700 0.172 0.000 2.607 260 S HA -0.046 4.425 4.470 0.001 0.000 0.224 260 S C 0.616 175.407 174.600 0.318 0.000 0.969 260 S CA -0.038 58.319 58.200 0.262 0.000 0.927 260 S CB -0.309 62.824 63.200 -0.111 0.000 0.772 260 S HN 0.293 nan 8.310 nan 0.000 0.533 261 N N 2.765 121.529 118.700 0.108 0.000 2.485 261 N HA 0.323 5.064 4.740 0.001 0.000 0.243 261 N C -1.729 173.686 175.510 -0.158 0.000 0.987 261 N CA -2.474 50.548 53.050 -0.045 0.000 0.940 261 N CB 1.695 40.074 38.487 -0.180 0.000 1.122 261 N HN -0.007 nan 8.380 nan 0.000 0.509 262 P HA -0.140 nan 4.420 nan 0.000 0.218 262 P C 0.791 177.751 177.300 -0.567 0.000 1.146 262 P CA 1.286 63.820 63.100 -0.943 0.000 0.813 262 P CB 0.020 30.886 31.700 -1.389 0.000 0.778 263 W N -0.447 120.705 121.300 -0.246 0.000 2.595 263 W HA -0.039 4.622 4.660 0.001 0.000 0.257 263 W C 2.321 178.623 176.519 -0.362 0.000 1.267 263 W CA -0.026 57.197 57.345 -0.203 0.000 1.300 263 W CB -0.827 28.559 29.460 -0.122 0.000 1.120 263 W HN -0.221 nan 8.180 nan 0.000 0.618 264 V N -0.168 119.486 119.914 -0.433 0.000 2.488 264 V HA -0.274 3.846 4.120 0.001 0.000 0.246 264 V C 1.831 177.794 176.094 -0.219 0.000 1.046 264 V CA 1.586 63.452 62.300 -0.723 0.000 1.053 264 V CB -0.904 30.350 31.823 -0.948 0.000 0.679 264 V HN 0.178 nan 8.190 nan 0.000 0.458 265 F N 1.082 120.984 119.950 -0.080 0.000 2.102 265 F HA -0.167 4.361 4.527 0.001 0.000 0.298 265 F C 2.650 178.533 175.800 0.139 0.000 1.105 265 F CA 1.890 60.000 58.000 0.184 0.000 1.239 265 F CB -0.253 38.822 39.000 0.124 0.000 0.991 265 F HN -0.077 nan 8.300 nan 0.000 0.474 266 R N 1.254 121.845 120.500 0.152 0.000 2.083 266 R HA -0.167 4.173 4.340 0.001 0.000 0.237 266 R C 2.287 178.655 176.300 0.113 0.000 1.137 266 R CA 1.624 57.804 56.100 0.133 0.000 0.951 266 R CB -1.278 29.146 30.300 0.207 0.000 0.851 266 R HN 0.436 nan 8.270 nan 0.000 0.434 267 A N 0.926 123.807 122.820 0.101 0.000 1.865 267 A HA -0.175 4.146 4.320 0.001 0.000 0.217 267 A C 2.242 179.964 177.584 0.230 0.000 1.191 267 A CA 1.898 54.001 52.037 0.111 0.000 0.623 267 A CB -0.418 18.509 19.000 -0.122 0.000 0.826 267 A HN 0.245 nan 8.150 nan 0.000 0.444 268 M N -0.517 119.222 119.600 0.231 0.000 2.229 268 M HA -0.018 4.463 4.480 0.001 0.000 0.264 268 M C 2.432 178.974 176.300 0.404 0.000 1.063 268 M CA 1.289 56.801 55.300 0.354 0.000 1.114 268 M CB -1.574 31.324 32.600 0.497 0.000 1.387 268 M HN 0.496 nan 8.290 nan 0.000 0.420 269 A N 0.277 123.250 122.820 0.256 0.000 1.972 269 A HA 0.022 4.343 4.320 0.001 0.000 0.219 269 A C 2.434 180.125 177.584 0.179 0.000 1.169 269 A CA 1.828 53.979 52.037 0.189 0.000 0.635 269 A CB -1.322 17.599 19.000 -0.133 0.000 0.810 269 A HN 0.499 nan 8.150 nan 0.000 0.446 270 G N -0.426 108.487 108.800 0.189 0.000 2.402 270 G HA2 -0.164 3.797 3.960 0.001 0.000 0.216 270 G HA3 -0.164 3.797 3.960 0.001 0.000 0.216 270 G C 1.353 176.385 174.900 0.220 0.000 1.162 270 G CA 0.927 46.148 45.100 0.203 0.000 0.777 270 G HN 0.467 nan 8.290 nan 0.000 0.539 271 E N 0.019 120.353 120.200 0.224 0.000 2.106 271 E HA -0.085 4.266 4.350 0.001 0.000 0.192 271 E C 2.307 179.030 176.600 0.205 0.000 0.984 271 E CA 0.564 57.078 56.400 0.191 0.000 0.806 271 E CB -0.414 29.280 29.700 -0.009 0.000 0.750 271 E HN 0.527 nan 8.360 nan 0.000 0.458 272 M N 0.288 119.951 119.600 0.105 0.000 2.117 272 M HA -0.134 4.347 4.480 0.001 0.000 0.262 272 M C 2.081 178.364 176.300 -0.028 0.000 1.065 272 M CA 1.203 56.384 55.300 -0.198 0.000 1.114 272 M CB 0.003 32.318 32.600 -0.474 0.000 1.361 272 M HN 0.053 nan 8.290 nan 0.000 0.408 273 L N -0.614 120.660 121.223 0.084 0.000 2.083 273 L HA -0.200 4.140 4.340 0.001 0.000 0.209 273 L C 2.412 179.354 176.870 0.121 0.000 1.083 273 L CA 1.155 56.061 54.840 0.109 0.000 0.752 273 L CB -0.782 41.367 42.059 0.150 0.000 0.899 273 L HN 0.339 nan 8.230 nan 0.000 0.433 274 F N 0.813 120.790 119.950 0.045 0.000 2.069 274 F HA -0.242 4.286 4.527 0.001 0.000 0.298 274 F C 2.169 177.996 175.800 0.046 0.000 1.113 274 F CA 1.628 59.658 58.000 0.051 0.000 1.214 274 F CB -0.269 38.767 39.000 0.060 0.000 0.978 274 F HN -0.135 nan 8.300 nan 0.000 0.474 275 L N 0.021 121.224 121.223 -0.034 0.000 2.046 275 L HA -0.186 4.155 4.340 0.001 0.000 0.208 275 L C 2.856 179.651 176.870 -0.126 0.000 1.077 275 L CA 1.099 55.868 54.840 -0.118 0.000 0.747 275 L CB -1.327 40.752 42.059 0.034 0.000 0.896 275 L HN 0.290 nan 8.230 nan 0.000 0.432 276 A N 0.490 123.269 122.820 -0.069 0.000 1.892 276 A HA -0.249 4.071 4.320 0.001 0.000 0.218 276 A C 1.923 179.471 177.584 -0.059 0.000 1.188 276 A CA 2.248 54.263 52.037 -0.037 0.000 0.631 276 A CB -0.659 18.345 19.000 0.007 0.000 0.822 276 A HN 0.437 nan 8.150 nan 0.000 0.447 277 N N -0.198 118.445 118.700 -0.096 0.000 2.571 277 N HA 0.057 4.797 4.740 0.001 0.000 0.189 277 N C 1.160 176.576 175.510 -0.157 0.000 1.154 277 N CA 0.421 53.406 53.050 -0.108 0.000 0.907 277 N CB -0.272 38.161 38.487 -0.090 0.000 0.977 277 N HN 0.533 nan 8.380 nan 0.000 0.449 278 L N -1.155 119.937 121.223 -0.219 0.000 2.492 278 L HA 0.124 4.465 4.340 0.001 0.000 0.223 278 L C 1.125 177.931 176.870 -0.106 0.000 1.132 278 L CA 0.463 55.182 54.840 -0.202 0.000 0.850 278 L CB -0.179 41.739 42.059 -0.235 0.000 0.966 278 L HN 0.241 nan 8.230 nan 0.000 0.454 279 G N -0.074 108.691 108.800 -0.059 0.000 2.134 279 G HA2 -0.219 3.741 3.960 0.001 0.000 0.209 279 G HA3 -0.219 3.741 3.960 0.001 0.000 0.209 279 G C 0.164 175.094 174.900 0.050 0.000 0.993 279 G CA -0.153 44.966 45.100 0.032 0.000 0.669 279 G HN 0.046 nan 8.290 nan 0.000 0.519 280 V N 1.267 121.180 119.914 -0.001 0.000 2.585 280 V HA 0.160 4.281 4.120 0.001 0.000 0.296 280 V C 1.315 177.431 176.094 0.036 0.000 1.035 280 V CA 0.872 63.179 62.300 0.013 0.000 1.084 280 V CB 1.219 33.049 31.823 0.013 0.000 0.953 280 V HN 0.366 nan 8.190 nan 0.000 0.483 281 D N 3.488 123.911 120.400 0.038 0.000 2.259 281 D HA 0.207 4.847 4.640 0.001 0.000 0.216 281 D C 0.338 176.692 176.300 0.089 0.000 0.961 281 D CA 1.143 55.157 54.000 0.023 0.000 0.878 281 D CB 0.795 41.588 40.800 -0.012 0.000 1.009 281 D HN 0.393 nan 8.370 nan 0.000 0.490 282 I N 1.250 121.853 120.570 0.055 0.000 2.582 282 I HA 0.253 4.424 4.170 0.001 0.000 0.292 282 I C -0.883 175.270 176.117 0.060 0.000 1.066 282 I CA -0.602 60.760 61.300 0.102 0.000 1.053 282 I CB 2.954 40.978 38.000 0.041 0.000 1.241 282 I HN -0.285 nan 8.210 nan 0.000 0.421 283 L N 5.591 126.890 121.223 0.126 0.000 2.305 283 L HA 0.503 4.843 4.340 0.001 0.000 0.284 283 L C 0.156 177.042 176.870 0.026 0.000 1.013 283 L CA -0.586 54.286 54.840 0.053 0.000 0.819 283 L CB 1.564 43.598 42.059 -0.041 0.000 1.227 283 L HN 0.533 nan 8.230 nan 0.000 0.417 284 R N 4.513 125.008 120.500 -0.009 0.000 2.288 284 R HA 0.231 4.572 4.340 0.001 0.000 0.330 284 R C -0.366 175.949 176.300 0.024 0.000 1.069 284 R CA -0.604 55.490 56.100 -0.011 0.000 0.941 284 R CB 0.507 30.734 30.300 -0.122 0.000 0.998 284 R HN 0.497 nan 8.270 nan 0.000 0.452 285 M N 4.030 123.611 119.600 -0.033 0.000 3.042 285 M HA 0.033 4.514 4.480 0.001 0.000 0.283 285 M C -0.457 175.936 176.300 0.155 0.000 1.473 285 M CA -0.195 55.029 55.300 -0.125 0.000 1.583 285 M CB -0.670 31.762 32.600 -0.281 0.000 1.221 285 M HN 0.489 nan 8.290 nan 0.000 0.518 286 D N 3.089 123.626 120.400 0.229 0.000 2.487 286 D HA 0.274 4.914 4.640 0.001 0.000 0.243 286 D C 0.632 177.119 176.300 0.312 0.000 1.154 286 D CA 0.810 54.958 54.000 0.246 0.000 0.876 286 D CB 0.635 41.591 40.800 0.259 0.000 1.161 286 D HN 0.800 nan 8.370 nan 0.000 0.478 287 A N 2.785 125.746 122.820 0.236 0.000 2.610 287 A HA -0.190 4.131 4.320 0.001 0.000 0.299 287 A C 1.598 179.358 177.584 0.294 0.000 1.487 287 A CA 0.882 53.155 52.037 0.395 0.000 0.743 287 A CB -2.274 17.054 19.000 0.547 0.000 1.070 287 A HN 1.065 nan 8.150 nan 0.000 0.439 288 V N -3.004 116.999 119.914 0.147 0.000 2.490 288 V HA -0.031 4.089 4.120 0.001 0.000 0.250 288 V C 2.462 178.492 176.094 -0.106 0.000 1.061 288 V CA 2.475 64.812 62.300 0.063 0.000 1.064 288 V CB -1.466 30.305 31.823 -0.086 0.000 0.670 288 V HN 1.915 nan 8.190 nan 0.000 0.461 289 A N 0.131 122.791 122.820 -0.267 0.000 2.019 289 A HA 0.025 4.346 4.320 0.001 0.000 0.219 289 A C 1.771 179.080 177.584 -0.458 0.000 1.164 289 A CA 1.782 53.590 52.037 -0.381 0.000 0.644 289 A CB -0.826 17.787 19.000 -0.646 0.000 0.805 289 A HN 0.659 nan 8.150 nan 0.000 0.449 290 F N -0.227 119.712 119.950 -0.017 0.000 2.693 290 F HA 0.216 4.743 4.527 0.001 0.000 0.303 290 F C 1.584 177.319 175.800 -0.107 0.000 1.097 290 F CA -0.074 57.887 58.000 -0.063 0.000 1.330 290 F CB -0.219 38.744 39.000 -0.062 0.000 1.067 290 F HN 0.295 nan 8.300 nan 0.000 0.565 291 I N -2.646 117.934 120.570 0.017 0.000 3.334 291 I HA -0.046 4.125 4.170 0.001 0.000 0.282 291 I C 0.163 176.390 176.117 0.183 0.000 1.313 291 I CA 0.606 61.903 61.300 -0.005 0.000 1.396 291 I CB -0.020 37.774 38.000 -0.344 0.000 1.054 291 I HN 0.185 nan 8.210 nan 0.000 0.495 292 W N 2.931 124.175 121.300 -0.094 0.000 2.957 292 W HA 0.417 5.077 4.660 0.001 0.000 0.336 292 W C -1.259 175.169 176.519 -0.151 0.000 1.087 292 W CA -0.810 56.490 57.345 -0.075 0.000 1.235 292 W CB 2.033 31.457 29.460 -0.061 0.000 1.399 292 W HN -0.171 nan 8.180 nan 0.000 0.480 293 K N 3.840 123.770 120.400 -0.783 0.000 2.259 293 K HA 0.488 4.808 4.320 0.001 0.000 0.249 293 K C -0.962 175.441 176.600 -0.328 0.000 0.942 293 K CA -1.050 54.881 56.287 -0.594 0.000 0.816 293 K CB 2.347 34.173 32.500 -1.123 0.000 1.155 293 K HN 0.414 nan 8.250 nan 0.000 0.428 294 Q N 1.798 121.634 119.800 0.060 0.000 2.313 294 Q HA 0.272 4.613 4.340 0.001 0.000 0.255 294 Q C -1.366 174.833 176.000 0.332 0.000 0.944 294 Q CA -0.461 55.471 55.803 0.216 0.000 0.881 294 Q CB 1.415 30.297 28.738 0.240 0.000 1.375 294 Q HN 0.606 nan 8.270 nan 0.000 0.422 295 M N 3.514 123.343 119.600 0.381 0.000 2.248 295 M HA 0.361 4.841 4.480 0.001 0.000 0.343 295 M C 1.181 177.547 176.300 0.111 0.000 1.243 295 M CA 2.546 57.959 55.300 0.187 0.000 1.025 295 M CB -0.082 32.456 32.600 -0.102 0.000 1.759 295 M HN 1.040 nan 8.290 nan 0.000 0.452 296 G N 2.268 111.116 108.800 0.081 0.000 2.199 296 G HA2 -0.232 3.729 3.960 0.001 0.000 0.254 296 G HA3 -0.232 3.729 3.960 0.001 0.000 0.254 296 G C 0.215 175.163 174.900 0.080 0.000 0.982 296 G CA 0.626 45.758 45.100 0.053 0.000 0.632 296 G HN 1.261 nan 8.290 nan 0.000 0.529 297 T N -2.376 112.255 114.554 0.128 0.000 2.926 297 T HA 0.692 5.042 4.350 0.001 0.000 0.289 297 T C 1.576 176.355 174.700 0.131 0.000 1.054 297 T CA 0.839 63.008 62.100 0.114 0.000 1.015 297 T CB 1.505 70.447 68.868 0.123 0.000 1.167 297 T HN 1.115 nan 8.240 nan 0.000 0.526 298 S N -0.837 114.922 115.700 0.098 0.000 2.507 298 S HA -0.005 4.465 4.470 0.001 0.000 0.235 298 S C 1.253 175.924 174.600 0.117 0.000 0.988 298 S CA 0.273 58.530 58.200 0.095 0.000 0.944 298 S CB -1.542 61.692 63.200 0.058 0.000 0.762 298 S HN 1.166 nan 8.310 nan 0.000 0.526 299 C N 1.339 120.710 119.300 0.119 0.000 4.454 299 C HA -0.107 4.354 4.460 0.001 0.000 0.298 299 C C 0.094 175.097 174.990 0.021 0.000 1.384 299 C CA 0.522 59.596 59.018 0.093 0.000 2.002 299 C CB -2.791 25.038 27.740 0.147 0.000 1.249 299 C HN 0.754 nan 8.230 nan 0.000 0.783 300 E N -0.194 119.993 120.200 -0.021 0.000 2.292 300 E HA 0.387 4.737 4.350 0.001 0.000 0.272 300 E C 0.178 176.744 176.600 -0.057 0.000 0.881 300 E CA -0.802 55.498 56.400 -0.167 0.000 0.754 300 E CB 1.057 30.618 29.700 -0.230 0.000 1.201 300 E HN 0.314 nan 8.360 nan 0.000 0.425 301 N N 1.094 119.767 118.700 -0.044 0.000 2.714 301 N HA -0.209 4.531 4.740 0.001 0.000 0.250 301 N C -0.317 175.214 175.510 0.036 0.000 1.117 301 N CA 0.795 53.868 53.050 0.038 0.000 0.719 301 N CB -1.482 37.071 38.487 0.110 0.000 1.081 301 N HN 0.482 nan 8.380 nan 0.000 0.557 302 L N 0.298 121.546 121.223 0.041 0.000 2.467 302 L HA 0.079 4.420 4.340 0.001 0.000 0.270 302 L C -0.576 176.307 176.870 0.023 0.000 1.205 302 L CA -1.324 53.560 54.840 0.073 0.000 0.828 302 L CB 0.128 42.303 42.059 0.194 0.000 1.101 302 L HN -0.177 nan 8.230 nan 0.000 0.479 303 P HA -0.219 nan 4.420 nan 0.000 0.216 303 P C 1.089 178.273 177.300 -0.193 0.000 1.157 303 P CA 1.271 64.333 63.100 -0.064 0.000 0.880 303 P CB 0.186 31.817 31.700 -0.115 0.000 0.791 304 Q N -0.922 118.606 119.800 -0.452 0.000 2.226 304 Q HA -0.073 4.268 4.340 0.001 0.000 0.204 304 Q C 2.192 177.930 176.000 -0.437 0.000 0.975 304 Q CA 1.703 57.053 55.803 -0.755 0.000 0.866 304 Q CB -1.124 26.470 28.738 -1.907 0.000 0.915 304 Q HN 0.207 nan 8.270 nan 0.000 0.440 305 A N 0.218 122.913 122.820 -0.209 0.000 1.873 305 A HA -0.213 4.107 4.320 0.001 0.000 0.215 305 A C 1.730 179.270 177.584 -0.074 0.000 1.186 305 A CA 1.413 53.405 52.037 -0.074 0.000 0.616 305 A CB -0.638 18.333 19.000 -0.048 0.000 0.823 305 A HN 0.383 nan 8.150 nan 0.000 0.442 306 H N -0.391 118.657 119.070 -0.037 0.000 2.353 306 H HA -0.038 4.519 4.556 0.001 0.000 0.300 306 H C 2.582 177.886 175.328 -0.040 0.000 1.090 306 H CA 1.457 57.480 56.048 -0.042 0.000 1.327 306 H CB -0.459 29.206 29.762 -0.162 0.000 1.383 306 H HN 0.524 nan 8.280 nan 0.000 0.508 307 A N 1.209 124.020 122.820 -0.015 0.000 1.902 307 A HA -0.116 4.204 4.320 0.001 0.000 0.217 307 A C 2.727 180.261 177.584 -0.084 0.000 1.181 307 A CA 1.048 53.025 52.037 -0.100 0.000 0.623 307 A CB -0.887 17.972 19.000 -0.235 0.000 0.818 307 A HN 0.269 nan 8.150 nan 0.000 0.443 308 L N -0.628 120.544 121.223 -0.085 0.000 2.046 308 L HA -0.184 4.157 4.340 0.001 0.000 0.208 308 L C 2.463 179.504 176.870 0.284 0.000 1.077 308 L CA 1.268 56.109 54.840 0.002 0.000 0.747 308 L CB -0.505 41.569 42.059 0.025 0.000 0.896 308 L HN 0.388 nan 8.230 nan 0.000 0.432 309 I N -0.664 120.113 120.570 0.345 0.000 2.315 309 I HA -0.255 3.916 4.170 0.001 0.000 0.248 309 I C 2.678 179.040 176.117 0.408 0.000 1.117 309 I CA 1.124 62.705 61.300 0.468 0.000 1.404 309 I CB -0.292 37.928 38.000 0.367 0.000 1.071 309 I HN 0.205 nan 8.210 nan 0.000 0.419 310 R N 0.693 121.336 120.500 0.238 0.000 2.115 310 R HA -0.074 4.267 4.340 0.001 0.000 0.230 310 R C 2.427 178.809 176.300 0.137 0.000 1.111 310 R CA 1.255 57.448 56.100 0.155 0.000 0.976 310 R CB -0.327 30.005 30.300 0.054 0.000 0.870 310 R HN 0.352 nan 8.270 nan 0.000 0.445 311 A N 0.728 123.612 122.820 0.106 0.000 1.873 311 A HA -0.123 4.198 4.320 0.001 0.000 0.215 311 A C 1.916 179.666 177.584 0.277 0.000 1.186 311 A CA 1.028 53.096 52.037 0.052 0.000 0.616 311 A CB -0.643 18.227 19.000 -0.216 0.000 0.823 311 A HN 0.208 nan 8.150 nan 0.000 0.442 312 F N 0.098 120.311 119.950 0.438 0.000 2.126 312 F HA -0.231 4.297 4.527 0.001 0.000 0.299 312 F C 2.302 178.326 175.800 0.374 0.000 1.096 312 F CA 1.657 59.887 58.000 0.383 0.000 1.255 312 F CB -0.409 38.727 39.000 0.228 0.000 0.997 312 F HN 0.387 nan 8.300 nan 0.000 0.479 313 N N 0.321 119.364 118.700 0.573 0.000 2.061 313 N HA -0.240 4.501 4.740 0.001 0.000 0.193 313 N C 1.874 177.369 175.510 -0.026 0.000 1.030 313 N CA 1.480 54.609 53.050 0.131 0.000 0.856 313 N CB -0.255 38.259 38.487 0.046 0.000 1.023 313 N HN 0.202 nan 8.380 nan 0.000 0.424 314 A N 0.022 122.867 122.820 0.041 0.000 1.940 314 A HA -0.107 4.213 4.320 0.001 0.000 0.219 314 A C 2.351 179.943 177.584 0.013 0.000 1.176 314 A CA 1.583 53.613 52.037 -0.012 0.000 0.631 314 A CB -0.890 18.119 19.000 0.015 0.000 0.814 314 A HN 0.232 nan 8.150 nan 0.000 0.446 315 V N -0.156 119.833 119.914 0.125 0.000 2.407 315 V HA -0.287 3.833 4.120 0.001 0.000 0.248 315 V C 2.629 178.778 176.094 0.092 0.000 1.055 315 V CA 1.967 64.363 62.300 0.159 0.000 1.049 315 V CB -0.663 31.310 31.823 0.249 0.000 0.662 315 V HN 0.512 nan 8.190 nan 0.000 0.455 316 M N -0.784 118.838 119.600 0.035 0.000 2.200 316 M HA -0.018 4.463 4.480 0.001 0.000 0.265 316 M C 2.274 178.490 176.300 -0.140 0.000 1.066 316 M CA 1.368 56.640 55.300 -0.047 0.000 1.127 316 M CB -1.076 31.424 32.600 -0.165 0.000 1.379 316 M HN 0.266 nan 8.290 nan 0.000 0.420 317 R N 0.187 120.526 120.500 -0.268 0.000 2.152 317 R HA 0.013 4.354 4.340 0.001 0.000 0.232 317 R C 2.024 178.111 176.300 -0.354 0.000 1.117 317 R CA 1.115 56.917 56.100 -0.497 0.000 0.981 317 R CB -0.688 28.989 30.300 -1.039 0.000 0.870 317 R HN 0.437 nan 8.270 nan 0.000 0.451 318 I N -0.489 119.975 120.570 -0.176 0.000 2.429 318 I HA -0.040 4.130 4.170 0.001 0.000 0.247 318 I C 1.931 178.018 176.117 -0.050 0.000 1.099 318 I CA 0.993 62.220 61.300 -0.122 0.000 1.422 318 I CB -0.104 37.858 38.000 -0.063 0.000 1.112 318 I HN -0.001 nan 8.210 nan 0.000 0.430 319 A N 0.111 122.987 122.820 0.093 0.000 2.390 319 A HA 0.698 5.018 4.320 0.001 0.000 0.232 319 A C 0.922 178.659 177.584 0.256 0.000 1.233 319 A CA 0.543 52.722 52.037 0.237 0.000 0.907 319 A CB 0.228 19.423 19.000 0.325 0.000 0.967 319 A HN 0.309 nan 8.150 nan 0.000 0.512 320 A N -0.343 122.553 122.820 0.127 0.000 3.024 320 A HA 0.546 4.866 4.320 0.001 0.000 0.251 320 A C -2.198 175.408 177.584 0.036 0.000 1.267 320 A CA -0.362 51.748 52.037 0.122 0.000 1.050 320 A CB -0.098 18.962 19.000 0.099 0.000 1.400 320 A HN 0.014 nan 8.150 nan 0.000 0.756 321 P HA -0.216 nan 4.420 nan 0.000 0.218 321 P C 1.730 179.068 177.300 0.063 0.000 1.146 321 P CA 2.125 65.214 63.100 -0.018 0.000 0.820 321 P CB 0.318 32.006 31.700 -0.020 0.000 0.778 322 A N -1.091 121.749 122.820 0.035 0.000 2.066 322 A HA -0.023 4.298 4.320 0.001 0.000 0.218 322 A C 1.015 178.655 177.584 0.094 0.000 1.157 322 A CA 0.644 52.672 52.037 -0.016 0.000 0.670 322 A CB -0.961 17.970 19.000 -0.115 0.000 0.804 322 A HN 0.042 nan 8.150 nan 0.000 0.453 323 V N 1.652 121.633 119.914 0.112 0.000 2.405 323 V HA 0.252 4.372 4.120 0.001 0.000 0.264 323 V C -0.363 175.837 176.094 0.176 0.000 1.048 323 V CA -0.018 62.360 62.300 0.130 0.000 0.966 323 V CB -0.374 31.475 31.823 0.043 0.000 1.015 323 V HN 0.293 nan 8.190 nan 0.000 0.477 324 F N 4.466 124.387 119.950 -0.049 0.000 2.450 324 F HA 0.709 5.237 4.527 0.001 0.000 0.328 324 F C -0.020 175.793 175.800 0.022 0.000 1.068 324 F CA -1.308 56.632 58.000 -0.100 0.000 1.007 324 F CB 1.427 40.506 39.000 0.131 0.000 1.251 324 F HN 0.245 nan 8.300 nan 0.000 0.492 325 F N 0.792 120.791 119.950 0.082 0.000 2.480 325 F HA 0.446 4.974 4.527 0.001 0.000 0.329 325 F C -0.040 175.785 175.800 0.041 0.000 1.091 325 F CA -1.706 56.296 58.000 0.005 0.000 0.972 325 F CB 1.560 40.524 39.000 -0.060 0.000 1.150 325 F HN 0.187 nan 8.300 nan 0.000 0.467 326 K N 1.815 122.352 120.400 0.230 0.000 2.449 326 K HA 0.413 4.733 4.320 0.001 0.000 0.257 326 K C -0.298 176.396 176.600 0.156 0.000 0.989 326 K CA -0.239 56.139 56.287 0.152 0.000 0.916 326 K CB 1.186 33.741 32.500 0.092 0.000 1.136 326 K HN 0.658 nan 8.250 nan 0.000 0.439 327 S N 2.794 118.595 115.700 0.168 0.000 2.564 327 S HA 0.021 4.492 4.470 0.001 0.000 0.278 327 S C 0.092 174.825 174.600 0.222 0.000 1.333 327 S CA -0.197 58.087 58.200 0.139 0.000 1.048 327 S CB 0.664 63.952 63.200 0.146 0.000 0.900 327 S HN 0.706 nan 8.310 nan 0.000 0.505 328 Q N 2.785 122.647 119.800 0.104 0.000 2.129 328 Q HA 0.510 4.851 4.340 0.001 0.000 0.274 328 Q C -0.184 175.799 176.000 -0.029 0.000 0.854 328 Q CA -0.319 55.510 55.803 0.044 0.000 1.123 328 Q CB -0.095 28.577 28.738 -0.110 0.000 1.226 328 Q HN 0.573 nan 8.270 nan 0.000 0.454 329 A N 1.879 124.671 122.820 -0.047 0.000 2.476 329 A HA 0.424 4.745 4.320 0.001 0.000 0.275 329 A C -0.226 177.391 177.584 0.055 0.000 1.133 329 A CA -0.225 51.759 52.037 -0.087 0.000 0.797 329 A CB -0.168 18.659 19.000 -0.289 0.000 1.081 329 A HN 0.464 nan 8.150 nan 0.000 0.510 330 I N 5.694 126.295 120.570 0.052 0.000 2.395 330 I HA 0.265 4.436 4.170 0.001 0.000 0.282 330 I C 0.339 176.502 176.117 0.076 0.000 1.107 330 I CA 0.118 61.460 61.300 0.069 0.000 1.210 330 I CB -0.673 37.346 38.000 0.030 0.000 1.456 330 I HN 0.494 nan 8.210 nan 0.000 0.504 331 V N 1.253 121.229 119.914 0.104 0.000 3.087 331 V HA 0.526 4.646 4.120 0.001 0.000 0.311 331 V C 0.311 176.494 176.094 0.148 0.000 1.333 331 V CA -1.006 61.364 62.300 0.116 0.000 1.054 331 V CB 1.793 33.692 31.823 0.126 0.000 1.123 331 V HN 0.516 nan 8.190 nan 0.000 0.473 332 H N 1.535 120.652 119.070 0.080 0.000 3.001 332 H HA 0.180 4.736 4.556 0.001 0.000 0.334 332 H C -1.995 173.409 175.328 0.126 0.000 1.034 332 H CA -0.279 55.818 56.048 0.083 0.000 1.420 332 H CB 1.802 31.605 29.762 0.068 0.000 1.405 332 H HN 0.394 nan 8.280 nan 0.000 0.593 333 P HA -0.171 nan 4.420 nan 0.000 0.217 333 P C 0.989 178.490 177.300 0.336 0.000 1.151 333 P CA 1.467 64.685 63.100 0.197 0.000 0.849 333 P CB 0.341 32.096 31.700 0.091 0.000 0.787 334 D N -1.321 119.382 120.400 0.505 0.000 2.178 334 D HA -0.146 4.494 4.640 0.001 0.000 0.201 334 D C 1.934 178.355 176.300 0.201 0.000 0.980 334 D CA 1.062 55.236 54.000 0.289 0.000 0.842 334 D CB -0.289 40.610 40.800 0.165 0.000 0.948 334 D HN 0.252 nan 8.370 nan 0.000 0.472 335 Q N 0.132 120.080 119.800 0.247 0.000 2.250 335 Q HA 0.032 4.373 4.340 0.001 0.000 0.200 335 Q C 2.584 178.784 176.000 0.333 0.000 0.941 335 Q CA 0.177 56.111 55.803 0.218 0.000 0.872 335 Q CB -0.716 28.160 28.738 0.230 0.000 0.965 335 Q HN 0.191 nan 8.270 nan 0.000 0.480 336 V N 1.006 121.142 119.914 0.370 0.000 2.252 336 V HA -0.208 3.913 4.120 0.001 0.000 0.249 336 V C 2.315 178.672 176.094 0.439 0.000 1.056 336 V CA 1.892 64.460 62.300 0.447 0.000 1.022 336 V CB -0.803 31.270 31.823 0.417 0.000 0.641 336 V HN 0.209 nan 8.190 nan 0.000 0.445 337 V N -0.448 119.665 119.914 0.333 0.000 2.759 337 V HA -0.257 3.864 4.120 0.001 0.000 0.256 337 V C 2.310 178.432 176.094 0.047 0.000 1.080 337 V CA 1.933 64.332 62.300 0.165 0.000 1.101 337 V CB -0.377 31.547 31.823 0.167 0.000 0.698 337 V HN 0.675 nan 8.190 nan 0.000 0.477 338 Q N -1.431 118.381 119.800 0.021 0.000 2.436 338 Q HA -0.130 4.211 4.340 0.001 0.000 0.209 338 Q C 1.605 177.484 176.000 -0.203 0.000 0.965 338 Q CA 1.439 57.125 55.803 -0.196 0.000 0.910 338 Q CB -0.067 28.443 28.738 -0.380 0.000 0.980 338 Q HN 0.812 nan 8.270 nan 0.000 0.491 339 Y N -0.155 120.247 120.300 0.170 0.000 2.517 339 Y HA 0.116 4.667 4.550 0.001 0.000 0.281 339 Y C 0.690 176.638 175.900 0.081 0.000 1.125 339 Y CA 0.030 58.255 58.100 0.208 0.000 1.283 339 Y CB 0.561 39.137 38.460 0.194 0.000 1.042 339 Y HN -0.015 nan 8.280 nan 0.000 0.547 340 I N 0.980 121.609 120.570 0.098 0.000 2.301 340 I HA 0.469 4.639 4.170 0.001 0.000 0.292 340 I C 0.549 176.620 176.117 -0.077 0.000 1.046 340 I CA -0.044 61.233 61.300 -0.038 0.000 1.282 340 I CB 0.342 38.201 38.000 -0.235 0.000 1.409 340 I HN 0.112 nan 8.210 nan 0.000 0.484 341 G N 4.020 112.790 108.800 -0.049 0.000 2.667 341 G HA2 0.159 4.120 3.960 0.001 0.000 0.294 341 G HA3 0.159 4.120 3.960 0.001 0.000 0.294 341 G C -0.244 174.619 174.900 -0.062 0.000 1.467 341 G CA -0.489 44.574 45.100 -0.061 0.000 0.852 341 G HN 0.564 nan 8.290 nan 0.000 0.521 342 Q N -0.329 119.437 119.800 -0.056 0.000 2.135 342 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 342 Q C 0.899 176.816 176.000 -0.137 0.000 0.981 342 Q CA 2.139 57.892 55.803 -0.083 0.000 0.856 342 Q CB 0.099 28.833 28.738 -0.007 0.000 0.902 342 Q HN 0.488 nan 8.270 nan 0.000 0.425 343 D N -0.484 119.867 120.400 -0.081 0.000 2.339 343 D HA 0.058 4.699 4.640 0.001 0.000 0.217 343 D C 0.454 176.741 176.300 -0.022 0.000 1.050 343 D CA 0.244 54.202 54.000 -0.071 0.000 0.856 343 D CB 0.492 41.267 40.800 -0.041 0.000 0.922 343 D HN 0.418 nan 8.370 nan 0.000 0.518 344 E N -1.109 119.095 120.200 0.006 0.000 3.788 344 E HA 0.221 4.572 4.350 0.001 0.000 0.252 344 E C -0.532 176.174 176.600 0.176 0.000 1.028 344 E CA -0.397 56.080 56.400 0.128 0.000 0.965 344 E CB 0.890 30.674 29.700 0.140 0.000 2.914 344 E HN -0.085 nan 8.360 nan 0.000 0.544 345 C N 2.391 121.801 119.300 0.184 0.000 2.239 345 C HA 0.272 4.733 4.460 0.001 0.000 0.325 345 C C 0.905 175.924 174.990 0.047 0.000 1.231 345 C CA -0.481 58.652 59.018 0.192 0.000 1.652 345 C CB 0.302 28.182 27.740 0.233 0.000 2.284 345 C HN 0.591 nan 8.230 nan 0.000 0.499 346 Q N 2.166 121.946 119.800 -0.033 0.000 2.226 346 Q HA 0.011 4.352 4.340 0.001 0.000 0.204 346 Q C 0.656 176.643 176.000 -0.020 0.000 0.975 346 Q CA 1.139 56.908 55.803 -0.058 0.000 0.866 346 Q CB -0.032 28.648 28.738 -0.097 0.000 0.915 346 Q HN 0.913 nan 8.270 nan 0.000 0.440 347 I N -5.148 115.434 120.570 0.021 0.000 3.074 347 I HA 0.870 5.040 4.170 0.001 0.000 0.310 347 I C -0.483 175.651 176.117 0.028 0.000 1.153 347 I CA -1.379 59.907 61.300 -0.023 0.000 0.993 347 I CB 2.355 40.340 38.000 -0.026 0.000 1.237 347 I HN -0.086 nan 8.210 nan 0.000 0.443 348 G N 1.827 110.649 108.800 0.038 0.000 2.720 348 G HA2 0.501 4.461 3.960 0.001 0.000 0.295 348 G HA3 0.501 4.461 3.960 0.001 0.000 0.295 348 G C -1.924 173.155 174.900 0.298 0.000 1.437 348 G CA -0.669 44.532 45.100 0.168 0.000 0.886 348 G HN 0.577 nan 8.290 nan 0.000 0.509 349 Y N 0.715 121.137 120.300 0.204 0.000 2.702 349 Y HA 0.137 4.688 4.550 0.001 0.000 0.336 349 Y C 1.155 177.319 175.900 0.440 0.000 1.235 349 Y CA 0.581 58.803 58.100 0.204 0.000 1.492 349 Y CB 0.870 39.328 38.460 -0.003 0.000 1.308 349 Y HN 0.467 nan 8.280 nan 0.000 0.589 350 N N 5.194 124.218 118.700 0.541 0.000 3.194 350 N HA 0.193 4.934 4.740 0.001 0.000 0.271 350 N C -2.095 173.490 175.510 0.125 0.000 1.308 350 N CA -2.379 50.701 53.050 0.051 0.000 1.042 350 N CB 0.447 38.729 38.487 -0.342 0.000 1.310 350 N HN 0.293 nan 8.380 nan 0.000 0.502 351 P HA -0.157 nan 4.420 nan 0.000 0.220 351 P C 1.523 178.812 177.300 -0.018 0.000 1.148 351 P CA 0.394 63.577 63.100 0.139 0.000 0.803 351 P CB 0.644 32.452 31.700 0.181 0.000 0.782 352 L N 0.537 121.725 121.223 -0.059 0.000 1.994 352 L HA -0.131 4.209 4.340 0.001 0.000 0.208 352 L C 2.787 179.610 176.870 -0.080 0.000 1.071 352 L CA 1.938 56.752 54.840 -0.045 0.000 0.745 352 L CB -1.693 40.325 42.059 -0.068 0.000 0.892 352 L HN -0.087 nan 8.230 nan 0.000 0.431 353 Q N -1.297 118.388 119.800 -0.192 0.000 2.084 353 Q HA -0.251 4.090 4.340 0.001 0.000 0.202 353 Q C 2.267 178.172 176.000 -0.158 0.000 0.978 353 Q CA 2.066 57.761 55.803 -0.179 0.000 0.844 353 Q CB -0.236 28.360 28.738 -0.237 0.000 0.898 353 Q HN 0.548 nan 8.270 nan 0.000 0.426 354 M N 0.347 119.807 119.600 -0.233 0.000 2.065 354 M HA -0.157 4.323 4.480 0.001 0.000 0.259 354 M C 2.005 178.270 176.300 -0.058 0.000 1.069 354 M CA 2.170 57.284 55.300 -0.310 0.000 1.110 354 M CB -0.881 31.244 32.600 -0.791 0.000 1.328 354 M HN 0.294 nan 8.290 nan 0.000 0.405 355 A N 0.451 123.271 122.820 0.001 0.000 1.933 355 A HA -0.117 4.203 4.320 0.001 0.000 0.218 355 A C 2.177 179.971 177.584 0.351 0.000 1.175 355 A CA 1.337 53.490 52.037 0.194 0.000 0.628 355 A CB -0.878 18.235 19.000 0.188 0.000 0.814 355 A HN 0.618 nan 8.150 nan 0.000 0.444 356 L N -0.672 120.659 121.223 0.180 0.000 2.291 356 L HA -0.061 4.280 4.340 0.001 0.000 0.214 356 L C 2.361 179.257 176.870 0.043 0.000 1.120 356 L CA 0.331 55.243 54.840 0.121 0.000 0.799 356 L CB -0.412 41.663 42.059 0.028 0.000 0.925 356 L HN 0.384 nan 8.230 nan 0.000 0.446 357 L N -1.431 119.784 121.223 -0.013 0.000 2.017 357 L HA -0.203 4.137 4.340 0.001 0.000 0.208 357 L C 2.397 179.251 176.870 -0.026 0.000 1.073 357 L CA 1.807 56.591 54.840 -0.092 0.000 0.745 357 L CB -0.497 41.387 42.059 -0.291 0.000 0.894 357 L HN 0.331 nan 8.230 nan 0.000 0.432 358 W N 0.200 121.606 121.300 0.176 0.000 2.388 358 W HA -0.181 4.480 4.660 0.001 0.000 0.294 358 W C 2.532 179.299 176.519 0.414 0.000 1.212 358 W CA 1.207 58.714 57.345 0.271 0.000 1.271 358 W CB -0.508 28.959 29.460 0.011 0.000 1.126 358 W HN 0.259 nan 8.180 nan 0.000 0.535 359 N N -0.211 118.786 118.700 0.494 0.000 2.069 359 N HA -0.181 4.559 4.740 0.001 0.000 0.191 359 N C 1.486 177.091 175.510 0.157 0.000 1.031 359 N CA 2.638 55.846 53.050 0.263 0.000 0.852 359 N CB -0.528 38.074 38.487 0.191 0.000 1.018 359 N HN -0.099 nan 8.380 nan 0.000 0.423 360 T N 0.608 115.210 114.554 0.080 0.000 2.788 360 T HA -0.036 4.315 4.350 0.001 0.000 0.268 360 T C 1.822 176.653 174.700 0.218 0.000 1.044 360 T CA 0.817 62.885 62.100 -0.054 0.000 1.139 360 T CB -0.243 68.268 68.868 -0.595 0.000 0.867 360 T HN 0.190 nan 8.240 nan 0.000 0.454 361 L N 0.527 122.007 121.223 0.428 0.000 2.083 361 L HA -0.091 4.250 4.340 0.001 0.000 0.209 361 L C 2.987 180.098 176.870 0.402 0.000 1.083 361 L CA 1.205 56.390 54.840 0.575 0.000 0.752 361 L CB -0.598 41.861 42.059 0.666 0.000 0.899 361 L HN 0.281 nan 8.230 nan 0.000 0.433 362 A N -0.089 122.754 122.820 0.040 0.000 1.872 362 A HA -0.176 4.145 4.320 0.001 0.000 0.214 362 A C 2.377 179.756 177.584 -0.342 0.000 1.187 362 A CA 1.996 53.555 52.037 -0.796 0.000 0.614 362 A CB -0.794 17.419 19.000 -1.312 0.000 0.826 362 A HN 0.482 nan 8.150 nan 0.000 0.442 363 T N -5.281 109.228 114.554 -0.075 0.000 3.043 363 T HA 0.112 4.463 4.350 0.001 0.000 0.263 363 T C 1.038 175.775 174.700 0.061 0.000 1.094 363 T CA 0.965 63.050 62.100 -0.024 0.000 1.127 363 T CB -0.041 68.828 68.868 0.001 0.000 0.905 363 T HN 0.382 nan 8.240 nan 0.000 0.490 364 R N 0.589 121.171 120.500 0.137 0.000 3.954 364 R HA -0.113 4.228 4.340 0.001 0.000 0.422 364 R C -0.743 175.716 176.300 0.266 0.000 1.091 364 R CA 1.266 57.507 56.100 0.235 0.000 1.168 364 R CB -2.310 28.107 30.300 0.196 0.000 1.752 364 R HN 0.694 nan 8.270 nan 0.000 0.547 365 E N -0.238 120.017 120.200 0.093 0.000 2.158 365 E HA 0.300 4.650 4.350 0.001 0.000 0.271 365 E C 0.833 177.377 176.600 -0.094 0.000 0.911 365 E CA 0.063 56.458 56.400 -0.008 0.000 0.767 365 E CB 1.673 31.339 29.700 -0.056 0.000 1.120 365 E HN 0.106 nan 8.360 nan 0.000 0.405 366 V N 0.588 120.436 119.914 -0.110 0.000 3.623 366 V HA -0.119 4.002 4.120 0.001 0.000 0.271 366 V C 1.262 177.310 176.094 -0.076 0.000 1.248 366 V CA 0.617 62.823 62.300 -0.156 0.000 1.156 366 V CB -1.031 30.736 31.823 -0.093 0.000 0.870 366 V HN 0.577 nan 8.190 nan 0.000 0.453 367 N N 2.611 121.263 118.700 -0.079 0.000 2.036 367 N HA -0.292 4.449 4.740 0.001 0.000 0.199 367 N C 1.540 177.043 175.510 -0.011 0.000 1.036 367 N CA 2.658 55.681 53.050 -0.045 0.000 0.870 367 N CB -1.125 37.312 38.487 -0.085 0.000 1.055 367 N HN 0.529 nan 8.380 nan 0.000 0.436 368 L N -1.121 120.053 121.223 -0.081 0.000 2.046 368 L HA -0.047 4.293 4.340 0.001 0.000 0.208 368 L C 2.469 179.318 176.870 -0.035 0.000 1.077 368 L CA 0.719 55.510 54.840 -0.081 0.000 0.747 368 L CB -0.495 41.451 42.059 -0.188 0.000 0.896 368 L HN 0.178 nan 8.230 nan 0.000 0.432 369 L N -0.362 120.823 121.223 -0.064 0.000 2.017 369 L HA -0.270 4.071 4.340 0.001 0.000 0.208 369 L C 2.584 179.442 176.870 -0.020 0.000 1.073 369 L CA 2.026 56.824 54.840 -0.071 0.000 0.745 369 L CB -0.712 41.250 42.059 -0.162 0.000 0.894 369 L HN 0.260 nan 8.230 nan 0.000 0.432 370 H N -0.803 118.233 119.070 -0.056 0.000 2.319 370 H HA -0.230 4.327 4.556 0.001 0.000 0.299 370 H C 2.327 177.643 175.328 -0.019 0.000 1.092 370 H CA 2.340 58.373 56.048 -0.025 0.000 1.302 370 H CB -0.107 29.648 29.762 -0.012 0.000 1.373 370 H HN 0.575 nan 8.280 nan 0.000 0.497 371 Q N -0.132 119.706 119.800 0.062 0.000 2.077 371 Q HA -0.214 4.127 4.340 0.001 0.000 0.206 371 Q C 2.391 178.441 176.000 0.083 0.000 0.989 371 Q CA 1.756 57.634 55.803 0.124 0.000 0.853 371 Q CB -0.353 28.496 28.738 0.185 0.000 0.907 371 Q HN 0.611 nan 8.270 nan 0.000 0.418 372 A N 0.672 123.512 122.820 0.033 0.000 1.902 372 A HA -0.140 4.181 4.320 0.001 0.000 0.217 372 A C 2.051 179.614 177.584 -0.035 0.000 1.181 372 A CA 1.269 53.322 52.037 0.027 0.000 0.623 372 A CB -0.684 18.314 19.000 -0.004 0.000 0.818 372 A HN 0.466 nan 8.150 nan 0.000 0.443 373 L N -0.718 120.423 121.223 -0.137 0.000 2.201 373 L HA -0.119 4.222 4.340 0.001 0.000 0.212 373 L C 2.584 179.316 176.870 -0.229 0.000 1.105 373 L CA 1.535 56.253 54.840 -0.204 0.000 0.775 373 L CB -0.734 41.148 42.059 -0.296 0.000 0.913 373 L HN 0.351 nan 8.230 nan 0.000 0.440 374 T N -1.604 112.724 114.554 -0.377 0.000 2.851 374 T HA -0.097 4.253 4.350 0.001 0.000 0.262 374 T C 1.317 175.689 174.700 -0.548 0.000 1.043 374 T CA 1.258 63.010 62.100 -0.581 0.000 1.140 374 T CB -0.108 68.170 68.868 -0.984 0.000 0.872 374 T HN 0.239 nan 8.240 nan 0.000 0.446 375 Y N 0.283 120.569 120.300 -0.025 0.000 2.442 375 Y HA 0.410 4.960 4.550 0.001 0.000 0.250 375 Y C 1.871 177.814 175.900 0.072 0.000 1.113 375 Y CA -0.260 57.853 58.100 0.022 0.000 1.273 375 Y CB 0.389 38.859 38.460 0.017 0.000 1.138 375 Y HN -0.048 nan 8.280 nan 0.000 0.522 376 R N -1.517 119.108 120.500 0.209 0.000 2.600 376 R HA 0.134 4.475 4.340 0.001 0.000 0.392 376 R C 0.556 177.028 176.300 0.286 0.000 1.032 376 R CA 0.091 56.331 56.100 0.234 0.000 1.139 376 R CB 0.121 30.543 30.300 0.202 0.000 1.400 376 R HN 0.266 nan 8.270 nan 0.000 0.566 377 H N 0.425 119.586 119.070 0.151 0.000 2.361 377 H HA 0.205 4.761 4.556 0.001 0.000 0.308 377 H C 0.307 175.854 175.328 0.366 0.000 1.053 377 H CA 0.608 56.790 56.048 0.223 0.000 1.377 377 H CB 0.427 30.197 29.762 0.013 0.000 1.434 377 H HN -0.074 nan 8.280 nan 0.000 0.548 378 N N 1.408 120.205 118.700 0.163 0.000 2.407 378 N HA 0.083 4.823 4.740 0.001 0.000 0.250 378 N C -0.665 174.832 175.510 -0.023 0.000 1.236 378 N CA 0.446 53.523 53.050 0.045 0.000 0.879 378 N CB 0.759 39.282 38.487 0.060 0.000 1.088 378 N HN 0.304 nan 8.380 nan 0.000 0.450 379 L N 1.880 123.023 121.223 -0.134 0.000 2.279 379 L HA 0.576 4.917 4.340 0.001 0.000 0.262 379 L C -2.014 174.754 176.870 -0.169 0.000 1.019 379 L CA -2.017 52.692 54.840 -0.217 0.000 0.823 379 L CB 1.527 43.326 42.059 -0.434 0.000 1.358 379 L HN 0.283 nan 8.230 nan 0.000 0.432 380 P HA 0.069 nan 4.420 nan 0.000 0.271 380 P C -0.930 176.263 177.300 -0.178 0.000 1.233 380 P CA -0.346 62.667 63.100 -0.146 0.000 0.789 380 P CB 0.366 31.990 31.700 -0.127 0.000 0.951 381 E N 0.819 120.886 120.200 -0.222 0.000 2.418 381 E HA -0.039 4.312 4.350 0.001 0.000 0.261 381 E C 0.023 176.405 176.600 -0.363 0.000 1.070 381 E CA 0.064 56.225 56.400 -0.398 0.000 0.931 381 E CB -0.063 29.268 29.700 -0.615 0.000 0.954 381 E HN 0.538 nan 8.360 nan 0.000 0.439 382 H N -1.448 117.596 119.070 -0.045 0.000 2.992 382 H HA -0.156 4.401 4.556 0.001 0.000 0.266 382 H C -0.085 175.210 175.328 -0.054 0.000 1.200 382 H CA 1.287 57.319 56.048 -0.026 0.000 1.135 382 H CB -2.457 27.302 29.762 -0.006 0.000 1.282 382 H HN 0.643 nan 8.280 nan 0.000 0.351 383 T N -2.784 111.744 114.554 -0.044 0.000 2.883 383 T HA 0.930 5.280 4.350 0.001 0.000 0.296 383 T C -0.274 174.318 174.700 -0.178 0.000 1.117 383 T CA -0.275 61.758 62.100 -0.112 0.000 1.006 383 T CB 3.414 72.178 68.868 -0.174 0.000 1.191 383 T HN 0.808 nan 8.240 nan 0.000 0.508 384 A N 0.316 123.008 122.820 -0.214 0.000 2.606 384 A HA 0.690 5.011 4.320 0.001 0.000 0.293 384 A C -1.833 175.625 177.584 -0.209 0.000 1.082 384 A CA -1.246 50.663 52.037 -0.213 0.000 0.685 384 A CB 0.872 19.789 19.000 -0.138 0.000 1.284 384 A HN 0.856 nan 8.150 nan 0.000 0.408 385 W N 0.288 121.525 121.300 -0.105 0.000 2.283 385 W HA 0.528 5.189 4.660 0.001 0.000 0.341 385 W C -0.169 176.293 176.519 -0.094 0.000 1.206 385 W CA -0.451 56.849 57.345 -0.075 0.000 1.294 385 W CB 1.581 31.000 29.460 -0.068 0.000 1.154 385 W HN 0.409 nan 8.180 nan 0.000 0.613 386 V N 4.338 124.377 119.914 0.208 0.000 2.313 386 V HA 0.177 4.298 4.120 0.001 0.000 0.278 386 V C -0.308 175.845 176.094 0.098 0.000 1.017 386 V CA -1.013 61.258 62.300 -0.048 0.000 0.823 386 V CB 0.143 31.729 31.823 -0.395 0.000 1.010 386 V HN 0.419 nan 8.190 nan 0.000 0.443 387 N N 4.964 123.741 118.700 0.127 0.000 2.499 387 N HA 0.534 5.275 4.740 0.001 0.000 0.281 387 N C -0.773 174.903 175.510 0.278 0.000 1.098 387 N CA -0.176 52.987 53.050 0.188 0.000 0.979 387 N CB 1.744 40.288 38.487 0.095 0.000 1.121 387 N HN 0.698 nan 8.380 nan 0.000 0.466 388 Y N -2.233 118.077 120.300 0.017 0.000 2.644 388 Y HA 0.551 5.102 4.550 0.001 0.000 0.338 388 Y C -0.011 175.870 175.900 -0.031 0.000 1.119 388 Y CA -1.138 56.989 58.100 0.046 0.000 1.060 388 Y CB 0.250 38.809 38.460 0.165 0.000 1.294 388 Y HN 0.055 nan 8.280 nan 0.000 0.472 389 V N 0.176 120.038 119.914 -0.087 0.000 3.048 389 V HA 0.410 4.530 4.120 0.001 0.000 0.241 389 V C 0.381 176.538 176.094 0.106 0.000 1.129 389 V CA 0.553 62.718 62.300 -0.225 0.000 1.128 389 V CB -0.059 31.354 31.823 -0.685 0.000 0.849 389 V HN 0.729 nan 8.190 nan 0.000 0.475 390 R N -0.271 120.349 120.500 0.199 0.000 2.781 390 R HA 0.702 5.042 4.340 0.001 0.000 0.269 390 R C -0.786 175.623 176.300 0.182 0.000 1.025 390 R CA 0.226 56.375 56.100 0.081 0.000 0.914 390 R CB 2.059 32.311 30.300 -0.080 0.000 1.236 390 R HN 0.406 nan 8.270 nan 0.000 0.465 391 S N -1.128 114.474 115.700 -0.164 0.000 2.819 391 S HA 0.274 4.745 4.470 0.001 0.000 0.299 391 S C 0.776 175.145 174.600 -0.385 0.000 1.192 391 S CA -0.613 57.578 58.200 -0.016 0.000 0.847 391 S CB 0.848 64.137 63.200 0.149 0.000 1.224 391 S HN 0.793 nan 8.310 nan 0.000 0.537 392 H N -0.043 119.063 119.070 0.060 0.000 2.546 392 H HA 0.239 4.796 4.556 0.001 0.000 0.277 392 H C -0.542 174.839 175.328 0.088 0.000 1.004 392 H CA 0.664 56.846 56.048 0.223 0.000 1.231 392 H CB -0.531 29.435 29.762 0.340 0.000 1.382 392 H HN 0.440 nan 8.280 nan 0.000 0.580 393 D N 2.112 122.115 120.400 -0.662 0.000 2.385 393 D HA 0.062 4.703 4.640 0.001 0.000 0.254 393 D C 0.381 176.369 176.300 -0.520 0.000 1.053 393 D CA -0.467 53.206 54.000 -0.544 0.000 0.992 393 D CB 1.392 41.829 40.800 -0.605 0.000 1.145 393 D HN 0.360 nan 8.370 nan 0.000 0.523 394 D N -0.175 119.981 120.400 -0.406 0.000 2.363 394 D HA 0.045 4.686 4.640 0.001 0.000 0.240 394 D C 0.201 176.256 176.300 -0.407 0.000 1.236 394 D CA -0.036 53.741 54.000 -0.372 0.000 0.927 394 D CB 0.957 41.609 40.800 -0.247 0.000 1.150 394 D HN 0.253 nan 8.370 nan 0.000 0.458 395 I N -0.028 120.242 120.570 -0.500 0.000 2.331 395 I HA 0.356 4.527 4.170 0.001 0.000 0.292 395 I C 0.863 176.515 176.117 -0.776 0.000 0.998 395 I CA -0.549 60.347 61.300 -0.673 0.000 1.267 395 I CB 1.627 39.046 38.000 -0.969 0.000 1.386 395 I HN 0.398 nan 8.210 nan 0.000 0.476 396 G N 4.788 113.200 108.800 -0.646 0.000 2.416 396 G HA2 0.415 4.376 3.960 0.001 0.000 0.329 396 G HA3 0.415 4.376 3.960 0.001 0.000 0.329 396 G C -1.311 173.217 174.900 -0.621 0.000 1.173 396 G CA -0.527 44.230 45.100 -0.572 0.000 0.929 396 G HN 0.674 nan 8.290 nan 0.000 0.475 397 W N 2.145 123.426 121.300 -0.032 0.000 1.518 397 W HA 0.294 4.955 4.660 0.001 0.000 0.426 397 W C 1.230 177.624 176.519 -0.208 0.000 0.675 397 W CA -0.744 56.595 57.345 -0.010 0.000 1.936 397 W CB 0.319 29.815 29.460 0.060 0.000 1.749 397 W HN 0.554 nan 8.180 nan 0.000 0.247 398 T N -1.369 113.182 114.554 -0.005 0.000 3.418 398 T HA 0.122 4.472 4.350 0.001 0.000 0.239 398 T C 0.079 174.737 174.700 -0.070 0.000 0.905 398 T CA -0.628 61.418 62.100 -0.090 0.000 0.929 398 T CB -1.370 67.477 68.868 -0.035 0.000 1.121 398 T HN 0.154 nan 8.240 nan 0.000 0.608 399 F N 0.135 120.130 119.950 0.075 0.000 2.378 399 F HA 0.786 5.314 4.527 0.001 0.000 0.319 399 F C 0.325 176.083 175.800 -0.070 0.000 1.155 399 F CA -2.329 55.684 58.000 0.022 0.000 1.157 399 F CB 0.183 39.234 39.000 0.085 0.000 1.252 399 F HN 0.154 nan 8.300 nan 0.000 0.550 400 A N 1.609 124.512 122.820 0.139 0.000 2.320 400 A HA 0.275 4.596 4.320 0.001 0.000 0.287 400 A C 0.730 178.449 177.584 0.225 0.000 1.181 400 A CA -0.537 51.466 52.037 -0.057 0.000 0.831 400 A CB -0.139 18.811 19.000 -0.083 0.000 1.102 400 A HN 0.835 nan 8.150 nan 0.000 0.513 401 D N 1.924 122.417 120.400 0.154 0.000 2.149 401 D HA -0.144 4.497 4.640 0.001 0.000 0.198 401 D C 1.548 177.919 176.300 0.119 0.000 0.990 401 D CA 1.931 56.051 54.000 0.200 0.000 0.839 401 D CB 0.043 40.926 40.800 0.138 0.000 0.948 401 D HN 0.777 nan 8.370 nan 0.000 0.460 402 E N 0.548 120.801 120.200 0.089 0.000 2.077 402 E HA -0.131 4.220 4.350 0.001 0.000 0.193 402 E C 1.624 178.146 176.600 -0.130 0.000 0.989 402 E CA 1.062 57.422 56.400 -0.067 0.000 0.800 402 E CB -0.086 29.616 29.700 0.004 0.000 0.746 402 E HN 0.254 nan 8.360 nan 0.000 0.452 403 D N 0.268 120.728 120.400 0.100 0.000 2.097 403 D HA -0.111 4.529 4.640 0.001 0.000 0.195 403 D C 1.895 178.276 176.300 0.135 0.000 0.989 403 D CA 1.596 55.721 54.000 0.210 0.000 0.827 403 D CB -0.491 40.428 40.800 0.199 0.000 0.966 403 D HN 0.210 nan 8.370 nan 0.000 0.456 404 A N 0.977 123.850 122.820 0.089 0.000 1.933 404 A HA -0.070 4.251 4.320 0.001 0.000 0.218 404 A C 2.296 179.869 177.584 -0.019 0.000 1.175 404 A CA 2.282 54.312 52.037 -0.012 0.000 0.628 404 A CB -0.835 18.166 19.000 0.001 0.000 0.814 404 A HN 0.231 nan 8.150 nan 0.000 0.444 405 A N -1.264 121.532 122.820 -0.040 0.000 1.940 405 A HA -0.139 4.182 4.320 0.001 0.000 0.219 405 A C 2.034 179.578 177.584 -0.067 0.000 1.176 405 A CA 1.702 53.685 52.037 -0.090 0.000 0.631 405 A CB -0.854 18.040 19.000 -0.177 0.000 0.814 405 A HN 0.574 nan 8.150 nan 0.000 0.446 406 Y N -0.064 120.235 120.300 -0.002 0.000 2.256 406 Y HA -0.079 4.472 4.550 0.001 0.000 0.288 406 Y C 1.850 177.735 175.900 -0.024 0.000 1.155 406 Y CA 1.046 59.137 58.100 -0.015 0.000 1.203 406 Y CB -0.370 38.076 38.460 -0.024 0.000 0.980 406 Y HN 0.210 nan 8.280 nan 0.000 0.530 407 L N -1.283 120.007 121.223 0.112 0.000 2.611 407 L HA 0.251 4.592 4.340 0.001 0.000 0.229 407 L C 1.491 178.350 176.870 -0.018 0.000 1.137 407 L CA 0.586 55.443 54.840 0.027 0.000 0.901 407 L CB -0.559 41.485 42.059 -0.024 0.000 1.098 407 L HN 0.367 nan 8.230 nan 0.000 0.456 408 G N 1.339 110.135 108.800 -0.007 0.000 2.147 408 G HA2 -0.274 3.686 3.960 0.001 0.000 0.244 408 G HA3 -0.274 3.686 3.960 0.001 0.000 0.244 408 G C 0.032 174.903 174.900 -0.047 0.000 1.005 408 G CA -0.073 45.014 45.100 -0.022 0.000 0.713 408 G HN 0.338 nan 8.290 nan 0.000 0.515 409 I N 0.910 121.438 120.570 -0.070 0.000 2.404 409 I HA 0.454 4.624 4.170 0.001 0.000 0.293 409 I C 0.600 176.706 176.117 -0.017 0.000 0.992 409 I CA -0.745 60.493 61.300 -0.104 0.000 1.149 409 I CB 2.032 39.865 38.000 -0.278 0.000 1.315 409 I HN 0.141 nan 8.210 nan 0.000 0.446 410 S N 4.258 119.984 115.700 0.043 0.000 2.439 410 S HA 0.272 4.743 4.470 0.001 0.000 0.282 410 S C 1.265 176.004 174.600 0.231 0.000 1.170 410 S CA -0.193 58.083 58.200 0.126 0.000 1.054 410 S CB 0.987 64.268 63.200 0.135 0.000 0.956 410 S HN 0.854 nan 8.310 nan 0.000 0.490 411 G N 4.146 113.122 108.800 0.292 0.000 2.491 411 G HA2 -0.264 3.697 3.960 0.001 0.000 0.218 411 G HA3 -0.264 3.697 3.960 0.001 0.000 0.218 411 G C 1.064 176.186 174.900 0.371 0.000 1.180 411 G CA 1.212 46.586 45.100 0.456 0.000 0.774 411 G HN 0.846 nan 8.290 nan 0.000 0.562 412 Y N 1.935 122.345 120.300 0.184 0.000 2.097 412 Y HA -0.186 4.365 4.550 0.001 0.000 0.282 412 Y C 2.632 178.631 175.900 0.165 0.000 1.152 412 Y CA 2.334 60.523 58.100 0.148 0.000 1.136 412 Y CB -0.190 38.333 38.460 0.104 0.000 0.975 412 Y HN 0.220 nan 8.280 nan 0.000 0.498 413 D N -1.394 119.214 120.400 0.347 0.000 2.144 413 D HA -0.201 4.439 4.640 0.001 0.000 0.199 413 D C 1.996 178.403 176.300 0.180 0.000 0.984 413 D CA 1.896 56.044 54.000 0.247 0.000 0.834 413 D CB -0.610 40.326 40.800 0.227 0.000 0.955 413 D HN 0.497 nan 8.370 nan 0.000 0.465 414 H N 0.916 120.056 119.070 0.117 0.000 2.357 414 H HA 0.090 4.646 4.556 0.001 0.000 0.301 414 H C 1.953 177.325 175.328 0.073 0.000 1.082 414 H CA 1.391 57.499 56.048 0.100 0.000 1.342 414 H CB 0.211 30.020 29.762 0.078 0.000 1.389 414 H HN -0.035 nan 8.280 nan 0.000 0.511 415 R N -0.173 120.374 120.500 0.079 0.000 2.096 415 R HA -0.114 4.226 4.340 0.001 0.000 0.235 415 R C 2.259 178.442 176.300 -0.196 0.000 1.127 415 R CA 1.194 57.227 56.100 -0.111 0.000 0.968 415 R CB -0.025 30.282 30.300 0.012 0.000 0.861 415 R HN 0.458 nan 8.270 nan 0.000 0.440 416 Q N 0.075 119.786 119.800 -0.148 0.000 2.096 416 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 416 Q C 1.938 177.894 176.000 -0.073 0.000 0.982 416 Q CA 1.434 57.179 55.803 -0.097 0.000 0.850 416 Q CB -0.363 28.348 28.738 -0.046 0.000 0.901 416 Q HN 0.310 nan 8.270 nan 0.000 0.422 417 F N 1.267 121.086 119.950 -0.218 0.000 2.075 417 F HA -0.168 4.360 4.527 0.001 0.000 0.297 417 F C 2.036 177.609 175.800 -0.377 0.000 1.113 417 F CA 1.132 58.953 58.000 -0.297 0.000 1.218 417 F CB -0.536 38.220 39.000 -0.405 0.000 0.984 417 F HN -0.045 nan 8.300 nan 0.000 0.472 418 L N 0.426 121.102 121.223 -0.912 0.000 2.012 418 L HA -0.297 4.043 4.340 0.001 0.000 0.210 418 L C 2.187 178.775 176.870 -0.470 0.000 1.073 418 L CA 2.168 56.383 54.840 -1.043 0.000 0.748 418 L CB -1.087 40.072 42.059 -1.499 0.000 0.891 418 L HN 0.261 nan 8.230 nan 0.000 0.431 419 N N -0.582 117.972 118.700 -0.242 0.000 2.120 419 N HA -0.161 4.579 4.740 0.001 0.000 0.188 419 N C 1.962 177.484 175.510 0.019 0.000 1.024 419 N CA 0.971 54.085 53.050 0.106 0.000 0.852 419 N CB -0.017 38.562 38.487 0.153 0.000 1.003 419 N HN 0.222 nan 8.380 nan 0.000 0.424 420 R N -0.154 120.284 120.500 -0.103 0.000 2.073 420 R HA -0.109 4.232 4.340 0.001 0.000 0.234 420 R C 1.943 178.169 176.300 -0.124 0.000 1.134 420 R CA 1.174 57.237 56.100 -0.062 0.000 0.952 420 R CB -0.443 29.865 30.300 0.013 0.000 0.850 420 R HN 0.242 nan 8.270 nan 0.000 0.433 421 F N 0.467 120.083 119.950 -0.557 0.000 2.095 421 F HA -0.197 4.330 4.527 0.001 0.000 0.298 421 F C 1.581 177.032 175.800 -0.582 0.000 1.104 421 F CA 1.523 59.094 58.000 -0.715 0.000 1.232 421 F CB -0.186 37.958 39.000 -1.427 0.000 0.987 421 F HN -0.113 nan 8.300 nan 0.000 0.475 422 F N -0.250 119.684 119.950 -0.026 0.000 2.748 422 F HA 0.023 4.550 4.527 0.001 0.000 0.299 422 F C 1.774 177.547 175.800 -0.046 0.000 1.154 422 F CA 0.824 58.829 58.000 0.009 0.000 1.446 422 F CB -0.495 38.608 39.000 0.171 0.000 1.112 422 F HN -0.030 nan 8.300 nan 0.000 0.584 423 V N -2.939 117.011 119.914 0.060 0.000 3.214 423 V HA 0.317 4.438 4.120 0.001 0.000 0.330 423 V C 0.629 176.708 176.094 -0.025 0.000 1.403 423 V CA -0.146 62.184 62.300 0.049 0.000 1.143 423 V CB -0.877 30.991 31.823 0.075 0.000 1.098 423 V HN 0.363 nan 8.190 nan 0.000 0.463 424 N N 2.125 120.747 118.700 -0.129 0.000 2.738 424 N HA -0.198 4.542 4.740 0.001 0.000 0.249 424 N C 0.279 175.734 175.510 -0.093 0.000 1.047 424 N CA 0.780 53.733 53.050 -0.163 0.000 0.707 424 N CB -0.633 37.796 38.487 -0.097 0.000 0.937 424 N HN 0.601 nan 8.380 nan 0.000 0.545 425 R N 0.340 120.800 120.500 -0.066 0.000 2.748 425 R HA 0.308 4.648 4.340 0.001 0.000 0.395 425 R C -0.744 175.597 176.300 0.068 0.000 1.128 425 R CA -0.200 55.895 56.100 -0.009 0.000 1.042 425 R CB -0.528 29.774 30.300 0.004 0.000 1.392 425 R HN 0.313 nan 8.270 nan 0.000 0.582 426 F N 0.611 120.475 119.950 -0.143 0.000 2.585 426 F HA 0.229 4.757 4.527 0.001 0.000 0.319 426 F C -0.419 175.332 175.800 -0.082 0.000 1.165 426 F CA -1.728 56.230 58.000 -0.069 0.000 0.949 426 F CB 1.402 40.384 39.000 -0.030 0.000 1.218 426 F HN 0.012 nan 8.300 nan 0.000 0.453 427 D N 4.149 124.217 120.400 -0.554 0.000 2.658 427 D HA 0.331 4.972 4.640 0.001 0.000 0.230 427 D C 1.216 177.402 176.300 -0.191 0.000 1.118 427 D CA 2.507 56.295 54.000 -0.354 0.000 0.848 427 D CB 0.643 41.220 40.800 -0.372 0.000 1.160 427 D HN 1.069 nan 8.370 nan 0.000 0.497 428 G N 2.548 111.307 108.800 -0.068 0.000 2.205 428 G HA2 -0.311 3.650 3.960 0.001 0.000 0.261 428 G HA3 -0.311 3.650 3.960 0.001 0.000 0.261 428 G C 0.508 175.419 174.900 0.018 0.000 0.980 428 G CA 0.409 45.530 45.100 0.034 0.000 0.632 428 G HN 0.890 nan 8.290 nan 0.000 0.533 429 S N 0.282 115.881 115.700 -0.168 0.000 2.552 429 S HA 0.406 4.877 4.470 0.001 0.000 0.289 429 S C 1.370 175.706 174.600 -0.439 0.000 1.304 429 S CA 0.584 58.364 58.200 -0.700 0.000 1.063 429 S CB 0.021 62.540 63.200 -1.136 0.000 0.848 429 S HN 1.143 nan 8.310 nan 0.000 0.499 430 F N 2.677 122.487 119.950 -0.233 0.000 2.749 430 F HA 0.574 5.102 4.527 0.001 0.000 0.300 430 F C 0.794 176.570 175.800 -0.040 0.000 1.103 430 F CA -0.561 57.415 58.000 -0.041 0.000 1.342 430 F CB -0.897 38.163 39.000 0.099 0.000 1.098 430 F HN 0.548 nan 8.300 nan 0.000 0.586 431 A N 1.684 124.332 122.820 -0.287 0.000 2.388 431 A HA 0.620 4.941 4.320 0.001 0.000 0.257 431 A C 0.540 178.123 177.584 -0.002 0.000 1.095 431 A CA -0.600 51.437 52.037 -0.001 0.000 0.791 431 A CB 0.334 19.272 19.000 -0.104 0.000 1.029 431 A HN 0.326 nan 8.150 nan 0.000 0.489 432 R N 2.196 122.764 120.500 0.112 0.000 2.886 432 R HA 0.262 4.603 4.340 0.001 0.000 0.306 432 R C 0.325 176.686 176.300 0.102 0.000 1.300 432 R CA 0.093 56.244 56.100 0.085 0.000 1.441 432 R CB 0.653 31.011 30.300 0.097 0.000 1.328 432 R HN 0.829 nan 8.270 nan 0.000 0.629 433 G N -0.151 108.712 108.800 0.105 0.000 2.531 433 G HA2 0.550 4.511 3.960 0.001 0.000 0.313 433 G HA3 0.550 4.511 3.960 0.001 0.000 0.313 433 G C -0.359 174.600 174.900 0.099 0.000 1.238 433 G CA -0.366 44.788 45.100 0.091 0.000 0.994 433 G HN 0.087 nan 8.290 nan 0.000 0.493 434 V N -2.417 117.552 119.914 0.092 0.000 2.823 434 V HA 0.785 4.906 4.120 0.001 0.000 0.312 434 V C -2.563 173.609 176.094 0.131 0.000 1.072 434 V CA -2.488 59.889 62.300 0.128 0.000 0.937 434 V CB 2.235 34.167 31.823 0.182 0.000 1.013 434 V HN 0.669 nan 8.190 nan 0.000 0.430 435 P HA 0.309 nan 4.420 nan 0.000 0.272 435 P C -1.318 176.143 177.300 0.269 0.000 1.230 435 P CA 0.150 63.364 63.100 0.189 0.000 0.788 435 P CB 0.758 32.553 31.700 0.158 0.000 0.949 436 F N 1.734 121.726 119.950 0.070 0.000 2.607 436 F HA 0.199 4.726 4.527 0.001 0.000 0.322 436 F C -0.169 175.686 175.800 0.091 0.000 1.176 436 F CA -0.303 57.728 58.000 0.051 0.000 0.977 436 F CB 1.224 40.217 39.000 -0.011 0.000 1.242 436 F HN 0.301 nan 8.300 nan 0.000 0.465 437 Q N 4.122 123.627 119.800 -0.493 0.000 2.463 437 Q HA -0.303 4.038 4.340 0.001 0.000 0.299 437 Q C -1.034 174.900 176.000 -0.110 0.000 1.353 437 Q CA 0.747 56.313 55.803 -0.395 0.000 0.828 437 Q CB -2.166 26.225 28.738 -0.579 0.000 1.157 437 Q HN 0.742 nan 8.270 nan 0.000 0.436 438 Y N 1.459 121.718 120.300 -0.067 0.000 2.650 438 Y HA 0.167 4.717 4.550 0.001 0.000 0.331 438 Y C 0.278 176.169 175.900 -0.016 0.000 1.165 438 Y CA -0.285 57.811 58.100 -0.008 0.000 1.473 438 Y CB 0.471 38.946 38.460 0.025 0.000 1.224 438 Y HN 0.142 nan 8.280 nan 0.000 0.533 439 N N 9.227 127.490 118.700 -0.728 0.000 2.485 439 N HA 0.234 4.975 4.740 0.001 0.000 0.243 439 N C -2.034 172.968 175.510 -0.847 0.000 0.987 439 N CA -2.312 50.379 53.050 -0.598 0.000 0.940 439 N CB 1.463 39.778 38.487 -0.286 0.000 1.122 439 N HN 0.453 nan 8.380 nan 0.000 0.509 440 P HA -0.114 nan 4.420 nan 0.000 0.222 440 P C 0.831 178.058 177.300 -0.122 0.000 1.147 440 P CA 1.006 63.898 63.100 -0.346 0.000 0.790 440 P CB 0.299 31.964 31.700 -0.057 0.000 0.780 441 S N -1.462 114.164 115.700 -0.125 0.000 2.558 441 S HA 0.023 4.494 4.470 0.001 0.000 0.217 441 S C 1.544 176.130 174.600 -0.025 0.000 0.975 441 S CA 1.037 59.207 58.200 -0.050 0.000 0.912 441 S CB -1.126 62.046 63.200 -0.047 0.000 0.776 441 S HN 0.328 nan 8.310 nan 0.000 0.526 442 T N -4.603 109.927 114.554 -0.039 0.000 2.993 442 T HA 0.528 4.878 4.350 0.001 0.000 0.260 442 T C 1.584 176.375 174.700 0.151 0.000 0.939 442 T CA 0.730 62.855 62.100 0.041 0.000 0.886 442 T CB 0.040 68.915 68.868 0.012 0.000 1.209 442 T HN 1.136 nan 8.240 nan 0.000 0.518 443 G N 1.705 110.552 108.800 0.078 0.000 2.179 443 G HA2 -0.239 3.721 3.960 0.001 0.000 0.260 443 G HA3 -0.239 3.721 3.960 0.001 0.000 0.260 443 G C -0.190 174.780 174.900 0.116 0.000 0.977 443 G CA 0.263 45.492 45.100 0.216 0.000 0.641 443 G HN 0.813 nan 8.290 nan 0.000 0.533 444 D N -0.096 120.321 120.400 0.029 0.000 2.339 444 D HA 0.504 5.145 4.640 0.001 0.000 0.245 444 D C -0.005 176.343 176.300 0.079 0.000 1.115 444 D CA 0.791 54.814 54.000 0.038 0.000 0.917 444 D CB 1.521 42.328 40.800 0.011 0.000 1.192 444 D HN 0.430 nan 8.370 nan 0.000 0.428 445 C N 2.625 122.013 119.300 0.147 0.000 3.284 445 C HA 0.594 5.055 4.460 0.001 0.000 0.338 445 C C -1.092 174.003 174.990 0.176 0.000 1.237 445 C CA -0.579 58.555 59.018 0.194 0.000 1.276 445 C CB 1.177 29.107 27.740 0.317 0.000 1.601 445 C HN 0.835 nan 8.230 nan 0.000 0.494 446 R N 1.624 122.211 120.500 0.146 0.000 2.939 446 R HA 0.901 5.242 4.340 0.001 0.000 0.254 446 R C -1.315 175.048 176.300 0.106 0.000 1.123 446 R CA -0.542 55.594 56.100 0.061 0.000 1.020 446 R CB 1.601 31.959 30.300 0.095 0.000 1.206 446 R HN 0.508 nan 8.270 nan 0.000 0.491 447 V N 0.493 120.368 119.914 -0.065 0.000 2.604 447 V HA 0.511 4.631 4.120 0.001 0.000 0.305 447 V C -0.564 175.440 176.094 -0.151 0.000 1.043 447 V CA -0.656 61.615 62.300 -0.047 0.000 0.888 447 V CB 2.004 33.793 31.823 -0.056 0.000 0.995 447 V HN 0.720 nan 8.190 nan 0.000 0.429 448 S N 1.810 117.468 115.700 -0.068 0.000 2.621 448 S HA 0.972 5.442 4.470 0.001 0.000 0.302 448 S C 0.117 174.709 174.600 -0.014 0.000 1.093 448 S CA -0.044 58.133 58.200 -0.038 0.000 1.017 448 S CB 1.826 64.914 63.200 -0.186 0.000 1.077 448 S HN 1.537 nan 8.310 nan 0.000 0.517 449 G N 1.211 110.080 108.800 0.114 0.000 2.326 449 G HA2 0.268 4.229 3.960 0.001 0.000 0.478 449 G HA3 0.268 4.229 3.960 0.001 0.000 0.478 449 G C -0.470 174.394 174.900 -0.060 0.000 1.551 449 G CA -0.480 44.628 45.100 0.014 0.000 0.946 449 G HN 0.885 nan 8.290 nan 0.000 0.671 450 T N -0.422 114.159 114.554 0.045 0.000 2.813 450 T HA 0.611 4.961 4.350 0.001 0.000 0.297 450 T C 1.965 176.699 174.700 0.058 0.000 1.036 450 T CA 0.833 62.971 62.100 0.064 0.000 1.044 450 T CB 1.495 70.474 68.868 0.185 0.000 0.993 450 T HN 2.114 nan 8.240 nan 0.000 0.535 451 A N 1.541 124.461 122.820 0.166 0.000 1.908 451 A HA 0.086 4.407 4.320 0.001 0.000 0.218 451 A C 2.683 180.496 177.584 0.381 0.000 1.181 451 A CA 2.096 54.361 52.037 0.379 0.000 0.627 451 A CB -1.595 17.704 19.000 0.500 0.000 0.818 451 A HN 1.295 nan 8.150 nan 0.000 0.445 452 A N -0.356 122.630 122.820 0.276 0.000 1.902 452 A HA 0.181 4.502 4.320 0.001 0.000 0.217 452 A C 2.489 180.197 177.584 0.208 0.000 1.181 452 A CA 2.041 54.212 52.037 0.223 0.000 0.623 452 A CB -0.948 18.156 19.000 0.173 0.000 0.818 452 A HN 1.088 nan 8.150 nan 0.000 0.443 453 A N -0.331 122.599 122.820 0.183 0.000 1.930 453 A HA 0.033 4.353 4.320 0.001 0.000 0.217 453 A C 2.063 179.775 177.584 0.212 0.000 1.175 453 A CA 1.364 53.501 52.037 0.166 0.000 0.627 453 A CB -0.521 18.557 19.000 0.130 0.000 0.815 453 A HN 0.470 nan 8.150 nan 0.000 0.443 454 L N -0.026 121.332 121.223 0.224 0.000 2.291 454 L HA -0.068 4.272 4.340 0.001 0.000 0.214 454 L C 2.108 179.396 176.870 0.697 0.000 1.120 454 L CA 0.973 56.023 54.840 0.351 0.000 0.799 454 L CB -0.213 41.800 42.059 -0.076 0.000 0.925 454 L HN 0.424 nan 8.230 nan 0.000 0.446 455 V N -3.982 116.269 119.914 0.562 0.000 3.647 455 V HA 0.463 4.584 4.120 0.001 0.000 0.279 455 V C 1.264 177.502 176.094 0.240 0.000 1.314 455 V CA 0.436 62.986 62.300 0.416 0.000 1.125 455 V CB -0.153 31.782 31.823 0.186 0.000 0.907 455 V HN 0.440 nan 8.190 nan 0.000 0.434 456 G N 0.679 109.665 108.800 0.310 0.000 2.134 456 G HA2 -0.230 3.730 3.960 0.001 0.000 0.209 456 G HA3 -0.230 3.730 3.960 0.001 0.000 0.209 456 G C 0.286 175.264 174.900 0.130 0.000 0.993 456 G CA 0.307 45.542 45.100 0.225 0.000 0.669 456 G HN 0.549 nan 8.290 nan 0.000 0.519 457 L N 0.668 121.963 121.223 0.121 0.000 2.217 457 L HA 0.536 4.877 4.340 0.001 0.000 0.211 457 L C 2.825 179.744 176.870 0.081 0.000 1.107 457 L CA 2.736 57.626 54.840 0.084 0.000 0.783 457 L CB -0.549 41.561 42.059 0.086 0.000 0.919 457 L HN 0.618 nan 8.230 nan 0.000 0.442 458 A N -0.420 122.459 122.820 0.099 0.000 1.940 458 A HA -0.201 4.120 4.320 0.001 0.000 0.219 458 A C 1.931 179.557 177.584 0.070 0.000 1.176 458 A CA 1.700 53.789 52.037 0.086 0.000 0.631 458 A CB -0.501 18.557 19.000 0.098 0.000 0.814 458 A HN 0.668 nan 8.150 nan 0.000 0.446 459 Q N -1.170 118.674 119.800 0.074 0.000 2.220 459 Q HA 0.082 4.423 4.340 0.001 0.000 0.205 459 Q C -0.974 175.055 176.000 0.049 0.000 0.865 459 Q CA 0.596 56.435 55.803 0.060 0.000 0.960 459 Q CB -0.200 28.578 28.738 0.066 0.000 1.097 459 Q HN 0.556 nan 8.270 nan 0.000 0.493 460 D N 1.676 122.104 120.400 0.046 0.000 2.800 460 D HA -0.149 4.491 4.640 0.001 0.000 0.232 460 D C -0.664 175.648 176.300 0.019 0.000 1.137 460 D CA 1.138 55.155 54.000 0.028 0.000 0.718 460 D CB -1.018 39.793 40.800 0.019 0.000 1.084 460 D HN 0.519 nan 8.370 nan 0.000 0.432 461 D N 1.028 121.449 120.400 0.035 0.000 2.472 461 D HA -0.012 4.629 4.640 0.001 0.000 0.248 461 D C -0.718 175.565 176.300 -0.027 0.000 1.174 461 D CA -1.034 52.982 54.000 0.027 0.000 0.883 461 D CB 1.127 41.967 40.800 0.066 0.000 1.149 461 D HN 0.098 nan 8.370 nan 0.000 0.488 462 P HA -0.165 nan 4.420 nan 0.000 0.223 462 P C 0.731 177.913 177.300 -0.197 0.000 1.144 462 P CA 1.101 64.105 63.100 -0.161 0.000 0.783 462 P CB 0.194 31.756 31.700 -0.229 0.000 0.771 463 H N -0.959 118.085 119.070 -0.043 0.000 2.563 463 H HA 0.299 4.855 4.556 0.001 0.000 0.264 463 H C 2.077 177.260 175.328 -0.242 0.000 0.957 463 H CA 0.564 56.554 56.048 -0.098 0.000 1.173 463 H CB -0.290 29.437 29.762 -0.058 0.000 1.420 463 H HN 0.082 nan 8.280 nan 0.000 0.551 464 A N 0.932 123.705 122.820 -0.078 0.000 1.869 464 A HA -0.196 4.125 4.320 0.001 0.000 0.218 464 A C 2.687 180.222 177.584 -0.082 0.000 1.203 464 A CA 2.190 54.170 52.037 -0.094 0.000 0.638 464 A CB -1.020 17.973 19.000 -0.011 0.000 0.831 464 A HN 0.206 nan 8.150 nan 0.000 0.450 465 V N 0.620 120.508 119.914 -0.044 0.000 2.332 465 V HA -0.270 3.850 4.120 0.001 0.000 0.248 465 V C 2.185 178.247 176.094 -0.053 0.000 1.055 465 V CA 2.393 64.677 62.300 -0.028 0.000 1.038 465 V CB -0.835 30.980 31.823 -0.014 0.000 0.651 465 V HN 0.548 nan 8.190 nan 0.000 0.450 466 D N -0.410 119.949 120.400 -0.067 0.000 2.144 466 D HA -0.124 4.516 4.640 0.001 0.000 0.200 466 D C 2.392 178.580 176.300 -0.188 0.000 0.978 466 D CA 1.001 54.959 54.000 -0.071 0.000 0.833 466 D CB -0.213 40.611 40.800 0.040 0.000 0.961 466 D HN 0.412 nan 8.370 nan 0.000 0.470 467 R N 0.317 120.594 120.500 -0.372 0.000 2.081 467 R HA -0.044 4.296 4.340 0.001 0.000 0.235 467 R C 2.573 178.724 176.300 -0.249 0.000 1.131 467 R CA 0.725 56.523 56.100 -0.502 0.000 0.960 467 R CB -0.242 29.682 30.300 -0.626 0.000 0.856 467 R HN 0.228 nan 8.270 nan 0.000 0.436 468 I N 1.088 121.594 120.570 -0.107 0.000 2.179 468 I HA -0.312 3.859 4.170 0.001 0.000 0.242 468 I C 2.133 178.300 176.117 0.084 0.000 1.088 468 I CA 1.520 62.844 61.300 0.040 0.000 1.357 468 I CB -0.285 37.784 38.000 0.114 0.000 1.051 468 I HN 0.149 nan 8.210 nan 0.000 0.409 469 K N 0.318 120.728 120.400 0.016 0.000 2.097 469 K HA -0.200 4.121 4.320 0.001 0.000 0.206 469 K C 2.091 178.683 176.600 -0.015 0.000 1.049 469 K CA 1.208 57.502 56.287 0.012 0.000 0.933 469 K CB -0.326 32.146 32.500 -0.046 0.000 0.717 469 K HN 0.172 nan 8.250 nan 0.000 0.442 470 L N 1.590 122.757 121.223 -0.094 0.000 2.017 470 L HA -0.146 4.194 4.340 0.001 0.000 0.208 470 L C 1.909 178.715 176.870 -0.108 0.000 1.073 470 L CA 1.549 56.300 54.840 -0.148 0.000 0.745 470 L CB -0.441 41.435 42.059 -0.305 0.000 0.894 470 L HN 0.103 nan 8.230 nan 0.000 0.432 471 L N -1.741 119.384 121.223 -0.163 0.000 2.017 471 L HA -0.258 4.083 4.340 0.001 0.000 0.208 471 L C 2.579 179.366 176.870 -0.140 0.000 1.073 471 L CA 1.580 56.296 54.840 -0.207 0.000 0.745 471 L CB -0.906 40.880 42.059 -0.454 0.000 0.894 471 L HN 0.264 nan 8.230 nan 0.000 0.432 472 Y N 0.585 120.873 120.300 -0.020 0.000 2.274 472 Y HA -0.245 4.306 4.550 0.001 0.000 0.290 472 Y C 3.111 179.075 175.900 0.107 0.000 1.145 472 Y CA 1.478 59.603 58.100 0.042 0.000 1.203 472 Y CB -0.480 38.003 38.460 0.038 0.000 0.984 472 Y HN 0.313 nan 8.280 nan 0.000 0.533 473 S N -0.255 115.594 115.700 0.249 0.000 2.382 473 S HA -0.206 4.265 4.470 0.001 0.000 0.228 473 S C 1.931 176.826 174.600 0.493 0.000 1.027 473 S CA 1.576 60.004 58.200 0.381 0.000 0.991 473 S CB -0.909 62.416 63.200 0.209 0.000 0.823 473 S HN 0.487 nan 8.310 nan 0.000 0.469 474 I N 1.977 122.739 120.570 0.320 0.000 2.353 474 I HA -0.027 4.143 4.170 0.001 0.000 0.248 474 I C 3.034 179.236 176.117 0.142 0.000 1.119 474 I CA 0.986 62.456 61.300 0.284 0.000 1.417 474 I CB -0.564 37.576 38.000 0.232 0.000 1.078 474 I HN 0.437 nan 8.210 nan 0.000 0.421 475 A N 0.703 123.581 122.820 0.097 0.000 1.969 475 A HA -0.071 4.250 4.320 0.001 0.000 0.218 475 A C 2.207 179.863 177.584 0.119 0.000 1.169 475 A CA 1.187 53.264 52.037 0.066 0.000 0.635 475 A CB -0.606 18.410 19.000 0.027 0.000 0.810 475 A HN 0.398 nan 8.150 nan 0.000 0.445 476 L N -0.119 121.216 121.223 0.186 0.000 2.418 476 L HA -0.019 4.321 4.340 0.001 0.000 0.218 476 L C 2.095 179.000 176.870 0.057 0.000 1.125 476 L CA 1.216 56.146 54.840 0.150 0.000 0.835 476 L CB 0.087 42.288 42.059 0.236 0.000 0.953 476 L HN 0.548 nan 8.230 nan 0.000 0.454 477 S N -3.635 112.131 115.700 0.109 0.000 2.733 477 S HA -0.002 4.469 4.470 0.001 0.000 0.247 477 S C 1.548 176.209 174.600 0.100 0.000 1.043 477 S CA 0.217 58.462 58.200 0.075 0.000 1.066 477 S CB -0.101 63.013 63.200 -0.142 0.000 1.045 477 S HN 0.327 nan 8.310 nan 0.000 0.586 478 T N -0.823 113.710 114.554 -0.034 0.000 3.023 478 T HA 0.462 4.813 4.350 0.001 0.000 0.266 478 T C 1.223 175.868 174.700 -0.093 0.000 1.093 478 T CA 0.548 62.455 62.100 -0.322 0.000 1.129 478 T CB -0.560 67.995 68.868 -0.522 0.000 0.899 478 T HN 1.520 nan 8.240 nan 0.000 0.491 479 G N -0.586 108.273 108.800 0.099 0.000 3.438 479 G HA2 0.498 4.459 3.960 0.001 0.000 0.684 479 G HA3 0.498 4.459 3.960 0.001 0.000 0.684 479 G C -0.106 174.931 174.900 0.229 0.000 1.192 479 G CA -0.659 44.556 45.100 0.192 0.000 1.013 479 G HN 1.579 nan 8.290 nan 0.000 0.530 480 G N -0.281 108.591 108.800 0.120 0.000 2.361 480 G HA2 0.469 4.430 3.960 0.001 0.000 0.331 480 G HA3 0.469 4.430 3.960 0.001 0.000 0.331 480 G C -0.921 173.990 174.900 0.018 0.000 1.324 480 G CA -0.291 44.864 45.100 0.093 0.000 0.984 480 G HN 1.738 nan 8.290 nan 0.000 0.586 481 L N 2.575 123.772 121.223 -0.043 0.000 2.261 481 L HA 0.521 4.862 4.340 0.001 0.000 0.289 481 L C -1.696 175.095 176.870 -0.133 0.000 1.059 481 L CA -2.056 52.705 54.840 -0.133 0.000 0.816 481 L CB 1.524 43.435 42.059 -0.246 0.000 1.191 481 L HN 0.397 nan 8.230 nan 0.000 0.431 482 P HA 0.093 nan 4.420 nan 0.000 0.276 482 P C -1.177 176.086 177.300 -0.061 0.000 1.230 482 P CA -0.475 62.620 63.100 -0.007 0.000 0.776 482 P CB 1.743 33.480 31.700 0.060 0.000 0.888 483 L N 5.321 126.562 121.223 0.031 0.000 2.345 483 L HA 0.425 4.765 4.340 0.001 0.000 0.274 483 L C -0.413 176.622 176.870 0.274 0.000 0.999 483 L CA -0.795 54.071 54.840 0.044 0.000 0.849 483 L CB 0.447 42.483 42.059 -0.039 0.000 1.220 483 L HN 0.249 nan 8.230 nan 0.000 0.422 484 I N 4.455 125.182 120.570 0.262 0.000 2.441 484 I HA 0.065 4.236 4.170 0.001 0.000 0.287 484 I C -0.652 175.685 176.117 0.366 0.000 1.049 484 I CA -0.403 61.117 61.300 0.367 0.000 1.381 484 I CB 0.572 38.659 38.000 0.145 0.000 1.409 484 I HN 0.546 nan 8.210 nan 0.000 0.523 485 Y N 7.597 128.116 120.300 0.364 0.000 2.613 485 Y HA 0.283 4.834 4.550 0.001 0.000 0.354 485 Y C 0.103 176.165 175.900 0.270 0.000 1.063 485 Y CA -0.454 57.826 58.100 0.300 0.000 1.384 485 Y CB 0.055 38.714 38.460 0.332 0.000 1.199 485 Y HN 0.362 nan 8.280 nan 0.000 0.517 486 L N 6.458 127.653 121.223 -0.047 0.000 2.640 486 L HA 0.017 4.357 4.340 0.001 0.000 0.280 486 L C 1.281 178.289 176.870 0.230 0.000 1.229 486 L CA 1.503 56.389 54.840 0.077 0.000 0.919 486 L CB -0.187 41.750 42.059 -0.203 0.000 1.168 486 L HN 1.054 nan 8.230 nan 0.000 0.496 487 G N 1.724 110.791 108.800 0.444 0.000 2.428 487 G HA2 -0.225 3.736 3.960 0.001 0.000 0.199 487 G HA3 -0.225 3.736 3.960 0.001 0.000 0.199 487 G C 0.670 175.731 174.900 0.269 0.000 1.005 487 G CA 0.077 45.427 45.100 0.417 0.000 0.671 487 G HN 0.591 nan 8.290 nan 0.000 0.485 488 D N 1.483 122.071 120.400 0.314 0.000 2.178 488 D HA -0.010 4.630 4.640 0.001 0.000 0.202 488 D C 2.430 178.805 176.300 0.125 0.000 0.974 488 D CA 1.314 55.482 54.000 0.280 0.000 0.841 488 D CB -0.129 40.919 40.800 0.412 0.000 0.953 488 D HN 0.714 nan 8.370 nan 0.000 0.478 489 E N 1.032 121.288 120.200 0.093 0.000 2.472 489 E HA -0.107 4.244 4.350 0.001 0.000 0.200 489 E C 1.313 177.959 176.600 0.076 0.000 1.046 489 E CA 0.724 57.163 56.400 0.064 0.000 0.871 489 E CB -0.041 29.775 29.700 0.194 0.000 0.806 489 E HN 0.305 nan 8.360 nan 0.000 0.533 490 V N -4.145 115.742 119.914 -0.045 0.000 3.252 490 V HA 0.517 4.637 4.120 0.001 0.000 0.320 490 V C 1.006 177.048 176.094 -0.087 0.000 1.459 490 V CA -0.068 62.133 62.300 -0.164 0.000 1.095 490 V CB 0.056 31.531 31.823 -0.579 0.000 0.997 490 V HN 0.174 nan 8.190 nan 0.000 0.469 491 G N 1.147 109.952 108.800 0.009 0.000 2.272 491 G HA2 -0.237 3.724 3.960 0.001 0.000 0.280 491 G HA3 -0.237 3.724 3.960 0.001 0.000 0.280 491 G C 0.091 175.029 174.900 0.064 0.000 1.067 491 G CA 0.405 45.540 45.100 0.057 0.000 0.902 491 G HN 0.678 nan 8.290 nan 0.000 0.500 492 T N 0.819 115.424 114.554 0.084 0.000 2.902 492 T HA 0.425 4.775 4.350 0.001 0.000 0.301 492 T C 1.365 176.154 174.700 0.149 0.000 1.012 492 T CA 0.179 62.343 62.100 0.107 0.000 1.151 492 T CB 1.057 70.020 68.868 0.158 0.000 0.946 492 T HN 0.398 nan 8.240 nan 0.000 0.542 493 L N 2.553 123.852 121.223 0.127 0.000 2.569 493 L HA 0.407 4.748 4.340 0.001 0.000 0.247 493 L C 1.022 177.987 176.870 0.157 0.000 1.135 493 L CA -1.344 53.578 54.840 0.136 0.000 0.812 493 L CB 0.302 42.427 42.059 0.110 0.000 1.431 493 L HN 0.496 nan 8.230 nan 0.000 0.499 494 N N 0.663 119.456 118.700 0.154 0.000 2.416 494 N HA -0.027 4.713 4.740 0.001 0.000 0.246 494 N C -0.564 175.061 175.510 0.191 0.000 1.260 494 N CA -0.028 53.123 53.050 0.168 0.000 0.897 494 N CB 0.180 38.769 38.487 0.171 0.000 1.110 494 N HN 0.480 nan 8.380 nan 0.000 0.439 495 D N 0.344 120.878 120.400 0.223 0.000 2.351 495 D HA 0.022 4.662 4.640 0.001 0.000 0.251 495 D C -0.807 175.700 176.300 0.346 0.000 1.137 495 D CA -0.001 54.153 54.000 0.257 0.000 0.879 495 D CB 0.624 41.591 40.800 0.279 0.000 1.181 495 D HN 0.251 nan 8.370 nan 0.000 0.448 496 D N 3.121 123.650 120.400 0.216 0.000 2.738 496 D HA 0.153 4.794 4.640 0.001 0.000 0.246 496 D C -0.310 176.012 176.300 0.037 0.000 1.270 496 D CA -0.186 53.902 54.000 0.147 0.000 0.833 496 D CB 0.584 41.440 40.800 0.093 0.000 1.040 496 D HN 0.347 nan 8.370 nan 0.000 0.487 497 D N -1.245 119.187 120.400 0.053 0.000 2.348 497 D HA -0.043 4.598 4.640 0.001 0.000 0.283 497 D C 2.160 178.393 176.300 -0.112 0.000 1.096 497 D CA -0.178 53.795 54.000 -0.046 0.000 0.863 497 D CB -0.285 40.514 40.800 -0.002 0.000 1.465 497 D HN 0.311 nan 8.370 nan 0.000 0.515 498 W N 2.874 124.168 121.300 -0.009 0.000 2.304 498 W HA -0.244 4.416 4.660 0.001 0.000 0.315 498 W C 1.530 178.044 176.519 -0.009 0.000 1.233 498 W CA 1.863 59.195 57.345 -0.021 0.000 1.261 498 W CB -1.477 28.032 29.460 0.081 0.000 1.150 498 W HN 0.025 nan 8.180 nan 0.000 0.494 499 S N 0.505 115.233 115.700 -1.621 0.000 2.469 499 S HA -0.209 4.262 4.470 0.001 0.000 0.238 499 S C 1.702 175.962 174.600 -0.567 0.000 0.998 499 S CA 1.381 58.711 58.200 -1.449 0.000 0.957 499 S CB -0.544 61.762 63.200 -1.490 0.000 0.764 499 S HN 0.396 nan 8.310 nan 0.000 0.514 500 Q N 0.721 120.286 119.800 -0.392 0.000 2.396 500 Q HA 0.196 4.536 4.340 0.001 0.000 0.209 500 Q C -0.104 175.806 176.000 -0.150 0.000 0.906 500 Q CA 0.191 55.862 55.803 -0.219 0.000 0.927 500 Q CB -0.132 28.501 28.738 -0.175 0.000 1.069 500 Q HN 0.561 nan 8.270 nan 0.000 0.523 501 D N 1.107 121.421 120.400 -0.144 0.000 2.338 501 D HA -0.008 4.632 4.640 0.001 0.000 0.255 501 D C 1.042 177.291 176.300 -0.085 0.000 1.237 501 D CA 0.108 54.041 54.000 -0.112 0.000 0.883 501 D CB 1.228 41.948 40.800 -0.133 0.000 1.087 501 D HN -0.049 nan 8.370 nan 0.000 0.485 502 S N 3.899 119.555 115.700 -0.073 0.000 2.413 502 S HA -0.256 4.215 4.470 0.001 0.000 0.237 502 S C 1.241 175.821 174.600 -0.033 0.000 1.044 502 S CA 1.735 59.908 58.200 -0.045 0.000 1.024 502 S CB -0.212 62.962 63.200 -0.044 0.000 0.829 502 S HN 0.643 nan 8.310 nan 0.000 0.475 503 N N -0.555 118.101 118.700 -0.073 0.000 2.398 503 N HA 0.153 4.894 4.740 0.001 0.000 0.188 503 N C 1.421 176.888 175.510 -0.072 0.000 1.122 503 N CA 0.321 53.326 53.050 -0.076 0.000 0.866 503 N CB 0.210 38.618 38.487 -0.132 0.000 0.970 503 N HN 0.442 nan 8.380 nan 0.000 0.462 504 K N -0.674 119.686 120.400 -0.067 0.000 2.511 504 K HA 0.089 4.410 4.320 0.001 0.000 0.206 504 K C 1.767 178.582 176.600 0.359 0.000 1.333 504 K CA 0.228 56.531 56.287 0.027 0.000 0.957 504 K CB 0.427 32.760 32.500 -0.279 0.000 1.172 504 K HN 0.017 nan 8.250 nan 0.000 0.547 505 S N 2.424 118.253 115.700 0.215 0.000 2.428 505 S HA -0.207 4.263 4.470 0.001 0.000 0.240 505 S C 1.375 176.182 174.600 0.346 0.000 1.036 505 S CA 1.960 60.281 58.200 0.201 0.000 1.009 505 S CB -0.509 62.694 63.200 0.004 0.000 0.803 505 S HN 0.379 nan 8.310 nan 0.000 0.486 506 D N 0.066 120.646 120.400 0.301 0.000 2.342 506 D HA 0.174 4.815 4.640 0.001 0.000 0.221 506 D C -0.302 176.185 176.300 0.310 0.000 1.101 506 D CA -0.186 53.975 54.000 0.268 0.000 0.837 506 D CB -0.175 40.731 40.800 0.176 0.000 0.938 506 D HN 0.359 nan 8.370 nan 0.000 0.508 507 D N 0.604 121.257 120.400 0.421 0.000 2.346 507 D HA 0.038 4.678 4.640 0.001 0.000 0.255 507 D C 0.888 177.262 176.300 0.124 0.000 1.276 507 D CA -0.344 53.871 54.000 0.359 0.000 0.941 507 D CB 1.378 42.382 40.800 0.340 0.000 1.199 507 D HN -0.075 nan 8.370 nan 0.000 0.537 508 S N 2.822 118.504 115.700 -0.029 0.000 2.547 508 S HA -0.097 4.374 4.470 0.001 0.000 0.235 508 S C 1.610 175.601 174.600 -1.016 0.000 0.980 508 S CA 0.284 58.003 58.200 -0.802 0.000 0.941 508 S CB -0.079 62.981 63.200 -0.233 0.000 0.763 508 S HN 0.430 nan 8.310 nan 0.000 0.532 509 R N -0.264 119.661 120.500 -0.959 0.000 2.193 509 R HA -0.003 4.338 4.340 0.001 0.000 0.229 509 R C 1.393 176.882 176.300 -1.352 0.000 1.110 509 R CA 1.488 56.823 56.100 -1.274 0.000 0.988 509 R CB -0.345 29.302 30.300 -1.089 0.000 0.871 509 R HN 0.585 nan 8.270 nan 0.000 0.458 510 W N 0.542 121.346 121.300 -0.827 0.000 2.525 510 W HA -0.057 4.604 4.660 0.001 0.000 0.259 510 W C 2.274 178.380 176.519 -0.689 0.000 1.253 510 W CA 0.621 57.627 57.345 -0.564 0.000 1.262 510 W CB -0.034 29.304 29.460 -0.204 0.000 1.122 510 W HN 0.168 nan 8.180 nan 0.000 0.607 511 A N 0.178 122.373 122.820 -1.042 0.000 1.933 511 A HA -0.209 4.111 4.320 0.001 0.000 0.218 511 A C 1.546 178.990 177.584 -0.234 0.000 1.175 511 A CA 1.669 53.275 52.037 -0.719 0.000 0.628 511 A CB -1.190 17.391 19.000 -0.697 0.000 0.814 511 A HN 0.605 nan 8.150 nan 0.000 0.444 512 H N -2.140 116.812 119.070 -0.196 0.000 2.524 512 H HA 0.436 4.992 4.556 0.001 0.000 0.299 512 H C -0.207 175.174 175.328 0.087 0.000 1.074 512 H CA -0.301 55.708 56.048 -0.065 0.000 1.115 512 H CB -0.131 29.517 29.762 -0.191 0.000 1.522 512 H HN 0.360 nan 8.280 nan 0.000 0.543 513 R N 2.169 122.742 120.500 0.121 0.000 2.886 513 R HA 0.245 4.586 4.340 0.001 0.000 0.306 513 R C -2.702 173.746 176.300 0.248 0.000 1.300 513 R CA -1.480 54.760 56.100 0.232 0.000 1.441 513 R CB 1.005 31.293 30.300 -0.020 0.000 1.328 513 R HN 0.364 nan 8.270 nan 0.000 0.629 514 P HA 0.118 nan 4.420 nan 0.000 0.274 514 P C -0.383 177.057 177.300 0.234 0.000 1.256 514 P CA -0.336 62.905 63.100 0.234 0.000 0.795 514 P CB 1.125 32.961 31.700 0.227 0.000 1.038 515 R N -0.408 120.204 120.500 0.187 0.000 2.583 515 R HA 0.215 4.556 4.340 0.001 0.000 0.268 515 R C 0.076 176.494 176.300 0.198 0.000 1.101 515 R CA -0.643 55.567 56.100 0.183 0.000 1.180 515 R CB 0.007 30.382 30.300 0.125 0.000 1.128 515 R HN 0.471 nan 8.270 nan 0.000 0.568 516 Y N 1.153 121.455 120.300 0.004 0.000 2.721 516 Y HA -0.145 4.406 4.550 0.001 0.000 0.329 516 Y C 0.045 175.935 175.900 -0.017 0.000 1.211 516 Y CA 0.643 58.664 58.100 -0.132 0.000 1.512 516 Y CB 0.120 38.274 38.460 -0.510 0.000 1.249 516 Y HN 0.494 nan 8.280 nan 0.000 0.549 517 N N 5.566 124.134 118.700 -0.221 0.000 2.558 517 N HA 0.037 4.777 4.740 0.001 0.000 0.233 517 N C 0.587 175.988 175.510 -0.182 0.000 1.038 517 N CA -0.442 52.542 53.050 -0.111 0.000 0.934 517 N CB 0.487 38.941 38.487 -0.054 0.000 1.175 517 N HN 0.712 nan 8.380 nan 0.000 0.512 518 E N 2.112 122.290 120.200 -0.038 0.000 2.097 518 E HA -0.250 4.100 4.350 0.001 0.000 0.196 518 E C 1.695 178.297 176.600 0.004 0.000 1.000 518 E CA 1.226 57.656 56.400 0.050 0.000 0.804 518 E CB -0.279 29.476 29.700 0.092 0.000 0.740 518 E HN 0.757 nan 8.360 nan 0.000 0.454 519 A N 1.238 124.049 122.820 -0.016 0.000 1.877 519 A HA -0.141 4.180 4.320 0.001 0.000 0.216 519 A C 2.417 179.966 177.584 -0.059 0.000 1.186 519 A CA 1.175 53.196 52.037 -0.026 0.000 0.620 519 A CB -0.696 18.293 19.000 -0.019 0.000 0.822 519 A HN 0.170 nan 8.150 nan 0.000 0.443 520 L N -2.411 118.750 121.223 -0.103 0.000 2.056 520 L HA -0.176 4.164 4.340 0.001 0.000 0.207 520 L C 2.574 179.283 176.870 -0.269 0.000 1.078 520 L CA 1.360 56.092 54.840 -0.180 0.000 0.749 520 L CB -0.688 41.233 42.059 -0.231 0.000 0.901 520 L HN 0.437 nan 8.230 nan 0.000 0.433 521 Y N 0.106 120.244 120.300 -0.269 0.000 2.274 521 Y HA -0.187 4.364 4.550 0.001 0.000 0.290 521 Y C 2.597 178.380 175.900 -0.195 0.000 1.145 521 Y CA 1.106 59.029 58.100 -0.296 0.000 1.203 521 Y CB -0.445 37.736 38.460 -0.465 0.000 0.984 521 Y HN 0.131 nan 8.280 nan 0.000 0.533 522 A N -0.498 122.314 122.820 -0.012 0.000 2.121 522 A HA -0.159 4.162 4.320 0.001 0.000 0.218 522 A C 1.765 179.323 177.584 -0.044 0.000 1.154 522 A CA 1.232 53.258 52.037 -0.019 0.000 0.679 522 A CB -0.374 18.621 19.000 -0.009 0.000 0.795 522 A HN 0.555 nan 8.150 nan 0.000 0.458 523 Q N -0.919 118.839 119.800 -0.070 0.000 2.282 523 Q HA 0.041 4.382 4.340 0.001 0.000 0.206 523 Q C 1.653 177.610 176.000 -0.073 0.000 0.878 523 Q CA 0.202 55.968 55.803 -0.061 0.000 0.944 523 Q CB 0.222 28.927 28.738 -0.055 0.000 1.100 523 Q HN 0.851 nan 8.270 nan 0.000 0.509 524 R N 0.374 120.795 120.500 -0.132 0.000 2.200 524 R HA -0.059 4.282 4.340 0.001 0.000 0.234 524 R C 0.839 177.097 176.300 -0.070 0.000 1.127 524 R CA 1.326 57.322 56.100 -0.173 0.000 0.989 524 R CB -0.136 29.863 30.300 -0.500 0.000 0.869 524 R HN 0.095 nan 8.270 nan 0.000 0.459 525 N N 0.604 119.274 118.700 -0.049 0.000 2.230 525 N HA -0.014 4.726 4.740 0.001 0.000 0.202 525 N C -0.796 174.730 175.510 0.026 0.000 1.119 525 N CA 0.123 53.184 53.050 0.019 0.000 0.851 525 N CB 0.457 38.951 38.487 0.010 0.000 0.990 525 N HN 0.233 nan 8.380 nan 0.000 0.497 526 D N 2.056 122.463 120.400 0.012 0.000 2.443 526 D HA 0.146 4.786 4.640 0.001 0.000 0.221 526 D C -1.520 174.790 176.300 0.016 0.000 1.097 526 D CA -2.030 51.975 54.000 0.010 0.000 0.865 526 D CB 1.827 42.626 40.800 -0.002 0.000 1.034 526 D HN 0.025 nan 8.370 nan 0.000 0.511 527 P HA -0.080 nan 4.420 nan 0.000 0.226 527 P C 0.756 178.060 177.300 0.007 0.000 1.146 527 P CA 0.475 63.585 63.100 0.016 0.000 0.773 527 P CB 0.450 32.157 31.700 0.012 0.000 0.772 528 S N -0.890 114.813 115.700 0.004 0.000 2.593 528 S HA 0.041 4.512 4.470 0.001 0.000 0.217 528 S C 1.130 175.729 174.600 -0.002 0.000 0.966 528 S CA 0.325 58.525 58.200 -0.000 0.000 0.914 528 S CB -0.379 62.820 63.200 -0.001 0.000 0.776 528 S HN 0.427 nan 8.310 nan 0.000 0.523 529 T N -1.545 113.009 114.554 -0.001 0.000 2.945 529 T HA 0.762 5.113 4.350 0.001 0.000 0.286 529 T C 1.203 175.902 174.700 -0.002 0.000 1.025 529 T CA -0.329 61.769 62.100 -0.005 0.000 1.039 529 T CB 1.692 70.553 68.868 -0.011 0.000 1.068 529 T HN -0.063 nan 8.240 nan 0.000 0.497 530 A N 1.201 124.018 122.820 -0.004 0.000 1.930 530 A HA 0.257 4.578 4.320 0.001 0.000 0.217 530 A C 2.567 180.152 177.584 0.002 0.000 1.175 530 A CA 1.656 53.693 52.037 0.001 0.000 0.627 530 A CB -1.473 17.529 19.000 0.003 0.000 0.815 530 A HN 1.259 nan 8.150 nan 0.000 0.443 531 A N -0.385 122.426 122.820 -0.015 0.000 1.902 531 A HA 0.093 4.414 4.320 0.001 0.000 0.217 531 A C 2.403 179.999 177.584 0.020 0.000 1.181 531 A CA 2.003 54.021 52.037 -0.032 0.000 0.623 531 A CB -1.364 17.580 19.000 -0.092 0.000 0.818 531 A HN 0.704 nan 8.150 nan 0.000 0.443 532 G N -1.137 107.676 108.800 0.022 0.000 2.402 532 G HA2 -0.185 3.776 3.960 0.001 0.000 0.216 532 G HA3 -0.185 3.776 3.960 0.001 0.000 0.216 532 G C 1.610 176.561 174.900 0.084 0.000 1.162 532 G CA 0.990 46.130 45.100 0.067 0.000 0.777 532 G HN 0.609 nan 8.290 nan 0.000 0.539 533 Q N -0.200 119.625 119.800 0.041 0.000 2.050 533 Q HA -0.021 4.320 4.340 0.001 0.000 0.202 533 Q C 2.589 178.603 176.000 0.023 0.000 0.980 533 Q CA 1.230 57.047 55.803 0.023 0.000 0.840 533 Q CB -0.212 28.530 28.738 0.006 0.000 0.898 533 Q HN 0.537 nan 8.270 nan 0.000 0.424 534 I N -0.674 119.915 120.570 0.032 0.000 2.163 534 I HA -0.293 3.878 4.170 0.001 0.000 0.240 534 I C 2.187 178.315 176.117 0.020 0.000 1.081 534 I CA 1.235 62.548 61.300 0.021 0.000 1.353 534 I CB -0.349 37.669 38.000 0.030 0.000 1.054 534 I HN 0.239 nan 8.210 nan 0.000 0.407 535 Y N 1.866 122.152 120.300 -0.023 0.000 2.097 535 Y HA -0.325 4.225 4.550 0.001 0.000 0.282 535 Y C 2.709 178.620 175.900 0.018 0.000 1.152 535 Y CA 1.846 59.947 58.100 0.003 0.000 1.136 535 Y CB -0.364 38.109 38.460 0.021 0.000 0.975 535 Y HN 0.173 nan 8.280 nan 0.000 0.498 536 Q N -0.649 119.185 119.800 0.057 0.000 2.124 536 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 536 Q C 2.493 178.451 176.000 -0.070 0.000 0.977 536 Q CA 1.145 56.944 55.803 -0.008 0.000 0.850 536 Q CB -0.543 28.238 28.738 0.071 0.000 0.901 536 Q HN 0.665 nan 8.270 nan 0.000 0.429 537 G N 1.009 109.773 108.800 -0.060 0.000 2.433 537 G HA2 -0.238 3.723 3.960 0.001 0.000 0.216 537 G HA3 -0.238 3.723 3.960 0.001 0.000 0.216 537 G C 1.323 176.171 174.900 -0.088 0.000 1.186 537 G CA 0.579 45.644 45.100 -0.060 0.000 0.779 537 G HN 0.123 nan 8.290 nan 0.000 0.543 538 L N 0.254 121.391 121.223 -0.145 0.000 2.046 538 L HA 0.087 4.427 4.340 0.001 0.000 0.208 538 L C 2.783 179.528 176.870 -0.210 0.000 1.077 538 L CA 1.408 56.140 54.840 -0.180 0.000 0.747 538 L CB -0.620 41.291 42.059 -0.247 0.000 0.896 538 L HN 0.127 nan 8.230 nan 0.000 0.432 539 R N -1.178 119.121 120.500 -0.335 0.000 2.105 539 R HA -0.229 4.112 4.340 0.001 0.000 0.239 539 R C 2.410 178.641 176.300 -0.115 0.000 1.135 539 R CA 1.573 57.484 56.100 -0.315 0.000 0.967 539 R CB -0.562 29.424 30.300 -0.524 0.000 0.861 539 R HN 0.522 nan 8.270 nan 0.000 0.442 540 H N -0.447 118.528 119.070 -0.158 0.000 2.357 540 H HA 0.003 4.559 4.556 0.001 0.000 0.301 540 H C 1.752 177.031 175.328 -0.082 0.000 1.082 540 H CA 2.397 58.385 56.048 -0.100 0.000 1.342 540 H CB -0.102 29.598 29.762 -0.104 0.000 1.389 540 H HN 0.179 nan 8.280 nan 0.000 0.511 541 M N -0.541 118.922 119.600 -0.230 0.000 2.159 541 M HA -0.104 4.377 4.480 0.001 0.000 0.263 541 M C 2.242 178.498 176.300 -0.073 0.000 1.063 541 M CA 1.412 56.593 55.300 -0.198 0.000 1.110 541 M CB -0.121 32.394 32.600 -0.142 0.000 1.374 541 M HN 0.307 nan 8.290 nan 0.000 0.411 542 I N 0.153 120.666 120.570 -0.094 0.000 2.226 542 I HA -0.243 3.927 4.170 0.001 0.000 0.245 542 I C 2.750 178.807 176.117 -0.101 0.000 1.100 542 I CA 1.188 62.437 61.300 -0.085 0.000 1.374 542 I CB -0.577 37.373 38.000 -0.083 0.000 1.057 542 I HN 0.242 nan 8.210 nan 0.000 0.413 543 A N 0.495 123.254 122.820 -0.101 0.000 1.883 543 A HA -0.159 4.162 4.320 0.001 0.000 0.217 543 A C 2.431 179.956 177.584 -0.097 0.000 1.186 543 A CA 1.870 53.865 52.037 -0.070 0.000 0.624 543 A CB -0.972 18.015 19.000 -0.022 0.000 0.822 543 A HN 0.241 nan 8.150 nan 0.000 0.444 544 V N 0.272 120.080 119.914 -0.177 0.000 2.307 544 V HA -0.257 3.863 4.120 0.001 0.000 0.245 544 V C 2.667 178.598 176.094 -0.272 0.000 1.045 544 V CA 2.242 64.454 62.300 -0.146 0.000 1.024 544 V CB -0.863 30.898 31.823 -0.105 0.000 0.651 544 V HN 0.707 nan 8.190 nan 0.000 0.449 545 R N 0.128 120.351 120.500 -0.461 0.000 2.096 545 R HA -0.250 4.091 4.340 0.001 0.000 0.240 545 R C 2.297 178.433 176.300 -0.273 0.000 1.139 545 R CA 2.266 57.940 56.100 -0.711 0.000 0.952 545 R CB -0.274 29.729 30.300 -0.496 0.000 0.854 545 R HN 0.612 nan 8.270 nan 0.000 0.436 546 Q N -0.236 119.479 119.800 -0.143 0.000 2.172 546 Q HA -0.073 4.268 4.340 0.001 0.000 0.200 546 Q C 2.065 178.062 176.000 -0.005 0.000 0.964 546 Q CA 1.728 57.502 55.803 -0.049 0.000 0.855 546 Q CB 0.210 28.931 28.738 -0.029 0.000 0.918 546 Q HN 0.495 nan 8.270 nan 0.000 0.444 547 S N -0.234 115.465 115.700 -0.001 0.000 2.486 547 S HA 0.026 4.497 4.470 0.001 0.000 0.220 547 S C 0.776 175.419 174.600 0.072 0.000 1.011 547 S CA -0.296 57.926 58.200 0.037 0.000 0.921 547 S CB 0.134 63.357 63.200 0.039 0.000 0.785 547 S HN 0.106 nan 8.310 nan 0.000 0.517 548 N N 3.286 122.052 118.700 0.111 0.000 2.462 548 N HA 0.302 5.043 4.740 0.001 0.000 0.242 548 N C -1.959 173.682 175.510 0.219 0.000 1.010 548 N CA -1.995 51.174 53.050 0.198 0.000 0.939 548 N CB 1.726 40.425 38.487 0.352 0.000 1.127 548 N HN 0.103 nan 8.380 nan 0.000 0.509 549 P HA -0.112 nan 4.420 nan 0.000 0.226 549 P C 0.632 177.954 177.300 0.038 0.000 1.146 549 P CA 0.827 63.973 63.100 0.076 0.000 0.773 549 P CB 0.402 32.127 31.700 0.043 0.000 0.772 550 R N -1.376 119.116 120.500 -0.013 0.000 2.285 550 R HA -0.001 4.340 4.340 0.001 0.000 0.213 550 R C 1.501 177.601 176.300 -0.334 0.000 1.068 550 R CA 0.875 56.853 56.100 -0.203 0.000 1.004 550 R CB -0.576 29.522 30.300 -0.336 0.000 0.873 550 R HN 0.273 nan 8.270 nan 0.000 0.467 551 F N 0.081 119.967 119.950 -0.108 0.000 2.727 551 F HA 0.108 4.636 4.527 0.001 0.000 0.302 551 F C 0.733 176.486 175.800 -0.079 0.000 1.097 551 F CA -0.626 57.294 58.000 -0.133 0.000 1.330 551 F CB 0.011 38.901 39.000 -0.183 0.000 1.084 551 F HN -0.136 nan 8.300 nan 0.000 0.578 552 D N 0.417 120.871 120.400 0.090 0.000 2.423 552 D HA 0.392 5.033 4.640 0.001 0.000 0.238 552 D C 0.671 176.989 176.300 0.030 0.000 1.142 552 D CA 1.672 55.705 54.000 0.055 0.000 0.884 552 D CB 0.633 41.457 40.800 0.040 0.000 1.199 552 D HN 0.390 nan 8.370 nan 0.000 0.438 553 G N 1.464 110.280 108.800 0.026 0.000 2.728 553 G HA2 0.102 4.063 3.960 0.001 0.000 0.294 553 G HA3 0.102 4.063 3.960 0.001 0.000 0.294 553 G C 0.502 175.423 174.900 0.035 0.000 1.342 553 G CA -0.109 45.000 45.100 0.015 0.000 0.866 553 G HN 0.903 nan 8.290 nan 0.000 0.534 554 G N -0.543 108.277 108.800 0.033 0.000 3.377 554 G HA2 0.444 4.405 3.960 0.001 0.000 0.257 554 G HA3 0.444 4.405 3.960 0.001 0.000 0.257 554 G C 0.592 175.587 174.900 0.158 0.000 1.038 554 G CA 0.039 45.192 45.100 0.088 0.000 0.809 554 G HN 0.530 nan 8.290 nan 0.000 0.526 555 R N 0.450 121.010 120.500 0.100 0.000 2.457 555 R HA 0.671 5.011 4.340 0.001 0.000 0.284 555 R C -0.495 175.861 176.300 0.095 0.000 1.024 555 R CA -0.454 55.714 56.100 0.114 0.000 1.025 555 R CB 1.564 31.887 30.300 0.038 0.000 1.063 555 R HN 0.294 nan 8.270 nan 0.000 0.493 556 L N -1.900 119.378 121.223 0.091 0.000 2.479 556 L HA 0.700 5.041 4.340 0.001 0.000 0.255 556 L C -1.097 175.766 176.870 -0.011 0.000 1.026 556 L CA -1.016 53.817 54.840 -0.012 0.000 0.842 556 L CB 1.862 43.807 42.059 -0.189 0.000 1.444 556 L HN 0.184 nan 8.230 nan 0.000 0.409 557 V N 0.696 120.611 119.914 0.001 0.000 2.483 557 V HA 0.617 4.738 4.120 0.001 0.000 0.297 557 V C 0.257 176.386 176.094 0.058 0.000 1.027 557 V CA 0.079 62.384 62.300 0.008 0.000 0.855 557 V CB 1.901 33.738 31.823 0.023 0.000 0.995 557 V HN 1.084 nan 8.190 nan 0.000 0.424 558 T N 1.773 116.336 114.554 0.016 0.000 2.898 558 T HA 0.519 4.869 4.350 0.001 0.000 0.301 558 T C -0.686 174.164 174.700 0.249 0.000 1.049 558 T CA -0.110 62.058 62.100 0.114 0.000 1.095 558 T CB 0.854 69.655 68.868 -0.111 0.000 0.976 558 T HN 0.422 nan 8.240 nan 0.000 0.539 559 F N 2.068 122.124 119.950 0.177 0.000 2.477 559 F HA 0.402 4.929 4.527 0.001 0.000 0.335 559 F C -0.284 175.635 175.800 0.199 0.000 1.130 559 F CA -1.260 56.831 58.000 0.152 0.000 0.948 559 F CB 1.264 40.320 39.000 0.094 0.000 1.154 559 F HN 0.526 nan 8.300 nan 0.000 0.439 560 N N 4.171 122.651 118.700 -0.367 0.000 2.416 560 N HA 0.015 4.756 4.740 0.001 0.000 0.265 560 N C 1.119 176.404 175.510 -0.374 0.000 1.195 560 N CA 0.600 53.458 53.050 -0.320 0.000 0.943 560 N CB 1.333 39.645 38.487 -0.290 0.000 1.115 560 N HN 0.801 nan 8.380 nan 0.000 0.481 561 T N -1.280 113.245 114.554 -0.048 0.000 3.067 561 T HA -0.034 4.316 4.350 0.001 0.000 0.261 561 T C 0.652 175.337 174.700 -0.026 0.000 1.110 561 T CA 0.070 62.227 62.100 0.095 0.000 1.113 561 T CB 0.066 69.029 68.868 0.158 0.000 0.917 561 T HN 0.495 nan 8.240 nan 0.000 0.499 562 N N 1.837 120.482 118.700 -0.092 0.000 2.741 562 N HA -0.144 4.596 4.740 0.001 0.000 0.251 562 N C -0.750 174.712 175.510 -0.080 0.000 1.112 562 N CA 0.968 53.964 53.050 -0.091 0.000 0.750 562 N CB -1.613 36.835 38.487 -0.065 0.000 1.119 562 N HN 0.622 nan 8.380 nan 0.000 0.561 563 N N 0.866 119.519 118.700 -0.078 0.000 2.519 563 N HA 0.110 4.851 4.740 0.001 0.000 0.286 563 N C 0.987 176.427 175.510 -0.116 0.000 1.079 563 N CA -0.443 52.561 53.050 -0.077 0.000 0.878 563 N CB 1.014 39.484 38.487 -0.028 0.000 1.375 563 N HN 0.182 nan 8.380 nan 0.000 0.514 564 K N 2.163 122.425 120.400 -0.231 0.000 2.442 564 K HA -0.106 4.215 4.320 0.001 0.000 0.199 564 K C 0.096 176.532 176.600 -0.274 0.000 1.044 564 K CA 1.166 57.280 56.287 -0.289 0.000 0.941 564 K CB -0.027 32.256 32.500 -0.362 0.000 0.759 564 K HN 0.494 nan 8.250 nan 0.000 0.472 565 H N 0.185 119.266 119.070 0.018 0.000 2.648 565 H HA 0.303 4.860 4.556 0.001 0.000 0.265 565 H C 0.319 175.724 175.328 0.128 0.000 0.961 565 H CA 0.001 56.087 56.048 0.063 0.000 1.185 565 H CB 0.445 30.234 29.762 0.046 0.000 1.449 565 H HN 0.126 nan 8.280 nan 0.000 0.523 566 I N 1.680 122.362 120.570 0.187 0.000 2.378 566 I HA 0.158 4.328 4.170 0.001 0.000 0.291 566 I C -0.330 175.936 176.117 0.247 0.000 0.992 566 I CA -0.946 60.484 61.300 0.216 0.000 1.154 566 I CB 2.206 40.262 38.000 0.092 0.000 1.315 566 I HN -0.142 nan 8.210 nan 0.000 0.448 567 I N 5.009 125.797 120.570 0.364 0.000 2.499 567 I HA 0.717 4.888 4.170 0.001 0.000 0.296 567 I C 0.297 176.688 176.117 0.456 0.000 0.992 567 I CA 0.284 61.810 61.300 0.377 0.000 1.297 567 I CB 1.464 39.709 38.000 0.409 0.000 1.410 567 I HN 0.622 nan 8.210 nan 0.000 0.507 568 G N 6.059 115.140 108.800 0.469 0.000 2.719 568 G HA2 0.639 4.600 3.960 0.001 0.000 0.298 568 G HA3 0.639 4.600 3.960 0.001 0.000 0.298 568 G C -2.020 173.083 174.900 0.337 0.000 1.411 568 G CA -0.468 44.861 45.100 0.381 0.000 0.991 568 G HN 0.727 nan 8.290 nan 0.000 0.509 569 Y N -0.772 119.551 120.300 0.038 0.000 2.641 569 Y HA 0.765 5.316 4.550 0.001 0.000 0.333 569 Y C -1.335 174.473 175.900 -0.152 0.000 1.174 569 Y CA -1.801 56.288 58.100 -0.018 0.000 1.057 569 Y CB 1.160 39.583 38.460 -0.062 0.000 1.322 569 Y HN 0.514 nan 8.280 nan 0.000 0.457 570 I N 3.264 123.863 120.570 0.047 0.000 2.465 570 I HA 0.538 4.708 4.170 0.001 0.000 0.291 570 I C -0.773 175.312 176.117 -0.053 0.000 1.014 570 I CA -1.169 60.072 61.300 -0.098 0.000 1.093 570 I CB 1.709 39.651 38.000 -0.095 0.000 1.267 570 I HN 0.498 nan 8.210 nan 0.000 0.431 571 R N 4.996 125.405 120.500 -0.153 0.000 2.393 571 R HA 0.355 4.696 4.340 0.001 0.000 0.310 571 R C 0.189 176.383 176.300 -0.176 0.000 0.968 571 R CA -0.717 55.286 56.100 -0.161 0.000 0.867 571 R CB 0.735 30.867 30.300 -0.281 0.000 1.124 571 R HN 0.640 nan 8.270 nan 0.000 0.450 572 N N 1.737 120.371 118.700 -0.111 0.000 2.678 572 N HA -0.298 4.443 4.740 0.001 0.000 0.249 572 N C -0.171 175.284 175.510 -0.092 0.000 1.119 572 N CA 1.203 54.197 53.050 -0.093 0.000 0.718 572 N CB -0.668 37.756 38.487 -0.105 0.000 1.060 572 N HN 0.812 nan 8.380 nan 0.000 0.552 573 N N -1.969 116.677 118.700 -0.090 0.000 2.693 573 N HA -0.280 4.460 4.740 0.001 0.000 0.249 573 N C 0.399 175.849 175.510 -0.100 0.000 1.119 573 N CA 1.381 54.384 53.050 -0.078 0.000 0.717 573 N CB -0.969 37.489 38.487 -0.048 0.000 1.071 573 N HN 0.661 nan 8.380 nan 0.000 0.555 574 A N -1.737 120.996 122.820 -0.145 0.000 2.591 574 A HA 0.352 4.673 4.320 0.001 0.000 0.204 574 A C -0.313 177.142 177.584 -0.216 0.000 1.410 574 A CA -0.114 51.832 52.037 -0.152 0.000 1.065 574 A CB 0.667 19.589 19.000 -0.131 0.000 1.362 574 A HN 0.212 nan 8.150 nan 0.000 0.566 575 L N 1.508 122.550 121.223 -0.301 0.000 2.404 575 L HA 0.607 4.947 4.340 0.001 0.000 0.272 575 L C -1.858 174.766 176.870 -0.410 0.000 0.980 575 L CA -0.616 53.983 54.840 -0.402 0.000 0.836 575 L CB 1.472 43.115 42.059 -0.693 0.000 1.238 575 L HN 0.233 nan 8.230 nan 0.000 0.408 576 L N 5.335 126.308 121.223 -0.417 0.000 2.265 576 L HA 0.736 5.077 4.340 0.001 0.000 0.289 576 L C -0.221 176.251 176.870 -0.664 0.000 1.033 576 L CA -0.078 54.404 54.840 -0.598 0.000 0.814 576 L CB 1.321 42.968 42.059 -0.686 0.000 1.203 576 L HN 0.710 nan 8.230 nan 0.000 0.423 577 A N 4.823 127.167 122.820 -0.794 0.000 2.304 577 A HA 0.780 5.101 4.320 0.001 0.000 0.323 577 A C -1.268 175.921 177.584 -0.658 0.000 1.195 577 A CA -0.325 51.337 52.037 -0.625 0.000 0.826 577 A CB 0.334 18.833 19.000 -0.835 0.000 1.184 577 A HN 0.549 nan 8.150 nan 0.000 0.496 578 F N 0.815 120.714 119.950 -0.085 0.000 2.520 578 F HA 0.679 5.206 4.527 0.001 0.000 0.322 578 F C 0.665 176.498 175.800 0.054 0.000 1.103 578 F CA -0.957 57.033 58.000 -0.017 0.000 0.926 578 F CB 2.701 41.698 39.000 -0.006 0.000 1.154 578 F HN 0.695 nan 8.300 nan 0.000 0.453 579 G N 1.803 110.812 108.800 0.348 0.000 2.723 579 G HA2 0.342 4.303 3.960 0.001 0.000 0.295 579 G HA3 0.342 4.303 3.960 0.001 0.000 0.295 579 G C -1.661 173.383 174.900 0.239 0.000 1.464 579 G CA -0.723 44.520 45.100 0.239 0.000 1.012 579 G HN 0.477 nan 8.290 nan 0.000 0.522 580 N N 1.922 120.662 118.700 0.066 0.000 2.420 580 N HA 0.300 5.040 4.740 0.001 0.000 0.249 580 N C -0.081 175.393 175.510 -0.059 0.000 1.033 580 N CA -0.965 52.112 53.050 0.046 0.000 0.944 580 N CB 0.497 38.952 38.487 -0.053 0.000 1.113 580 N HN 0.258 nan 8.380 nan 0.000 0.502 581 F N 0.899 120.869 119.950 0.034 0.000 2.692 581 F HA 0.224 4.752 4.527 0.001 0.000 0.303 581 F C 1.393 177.120 175.800 -0.123 0.000 1.114 581 F CA -0.114 57.931 58.000 0.075 0.000 1.361 581 F CB -0.004 39.081 39.000 0.142 0.000 1.063 581 F HN 0.323 nan 8.300 nan 0.000 0.550 582 S N 0.587 116.127 115.700 -0.267 0.000 2.565 582 S HA 0.156 4.626 4.470 0.001 0.000 0.290 582 S C 1.140 175.125 174.600 -1.025 0.000 1.150 582 S CA -0.682 57.218 58.200 -0.500 0.000 1.058 582 S CB 0.840 63.752 63.200 -0.481 0.000 1.032 582 S HN 0.419 nan 8.310 nan 0.000 0.510 583 E N 2.559 122.144 120.200 -1.024 0.000 2.502 583 E HA 0.004 4.354 4.350 0.001 0.000 0.194 583 E C -0.855 175.203 176.600 -0.903 0.000 1.062 583 E CA 0.290 55.953 56.400 -1.229 0.000 0.867 583 E CB -0.194 28.956 29.700 -0.918 0.000 0.888 583 E HN 0.642 nan 8.360 nan 0.000 0.510 584 Y N 0.351 120.431 120.300 -0.366 0.000 2.562 584 Y HA 0.466 5.017 4.550 0.001 0.000 0.343 584 Y C -2.302 173.479 175.900 -0.199 0.000 1.025 584 Y CA -3.384 54.592 58.100 -0.207 0.000 1.082 584 Y CB 0.827 39.189 38.460 -0.163 0.000 1.264 584 Y HN -0.195 nan 8.280 nan 0.000 0.478 585 P HA 0.099 nan 4.420 nan 0.000 0.268 585 P C -0.892 176.403 177.300 -0.007 0.000 1.205 585 P CA 0.059 63.157 63.100 -0.003 0.000 0.771 585 P CB 0.546 32.253 31.700 0.012 0.000 0.858 586 Q N 1.225 121.011 119.800 -0.024 0.000 2.372 586 Q HA 0.467 4.807 4.340 0.001 0.000 0.273 586 Q C -0.654 175.330 176.000 -0.026 0.000 1.078 586 Q CA -0.333 55.470 55.803 -0.000 0.000 0.806 586 Q CB 2.215 30.971 28.738 0.030 0.000 1.332 586 Q HN 0.297 nan 8.270 nan 0.000 0.435 587 T N 0.573 115.113 114.554 -0.023 0.000 2.855 587 T HA 0.561 4.912 4.350 0.001 0.000 0.281 587 T C -0.331 174.321 174.700 -0.080 0.000 1.007 587 T CA -0.498 61.570 62.100 -0.054 0.000 1.009 587 T CB 1.421 70.269 68.868 -0.034 0.000 0.983 587 T HN 0.226 nan 8.240 nan 0.000 0.455 588 V N 3.808 123.644 119.914 -0.129 0.000 2.313 588 V HA 0.335 4.456 4.120 0.001 0.000 0.278 588 V C 0.945 177.004 176.094 -0.058 0.000 1.017 588 V CA -0.991 61.223 62.300 -0.144 0.000 0.823 588 V CB 0.996 32.602 31.823 -0.362 0.000 1.010 588 V HN 1.155 nan 8.190 nan 0.000 0.443 589 T N 2.566 117.116 114.554 -0.008 0.000 2.906 589 T HA 0.270 4.620 4.350 0.001 0.000 0.320 589 T C 1.488 176.224 174.700 0.060 0.000 1.088 589 T CA 0.281 62.397 62.100 0.027 0.000 1.120 589 T CB 1.315 70.210 68.868 0.046 0.000 1.000 589 T HN 0.794 nan 8.240 nan 0.000 0.550 590 A N 1.103 123.954 122.820 0.051 0.000 1.972 590 A HA -0.145 4.176 4.320 0.001 0.000 0.219 590 A C 2.293 179.924 177.584 0.079 0.000 1.169 590 A CA 1.738 53.802 52.037 0.045 0.000 0.635 590 A CB -1.278 17.727 19.000 0.009 0.000 0.810 590 A HN 1.095 nan 8.150 nan 0.000 0.446 591 H N 0.059 119.140 119.070 0.019 0.000 2.353 591 H HA -0.107 4.449 4.556 0.001 0.000 0.300 591 H C 1.884 177.240 175.328 0.047 0.000 1.090 591 H CA 2.069 58.133 56.048 0.026 0.000 1.327 591 H CB -0.258 29.509 29.762 0.008 0.000 1.383 591 H HN 0.411 nan 8.280 nan 0.000 0.508 592 T N 1.146 115.823 114.554 0.205 0.000 2.881 592 T HA -0.049 4.302 4.350 0.001 0.000 0.270 592 T C 1.952 176.786 174.700 0.224 0.000 1.068 592 T CA 0.906 63.110 62.100 0.174 0.000 1.131 592 T CB -0.078 68.880 68.868 0.150 0.000 0.871 592 T HN 0.244 nan 8.240 nan 0.000 0.479 593 L N 0.944 122.288 121.223 0.201 0.000 2.653 593 L HA 0.201 4.542 4.340 0.001 0.000 0.231 593 L C 2.204 179.160 176.870 0.145 0.000 1.153 593 L CA 0.030 55.008 54.840 0.230 0.000 0.933 593 L CB -0.316 41.849 42.059 0.178 0.000 1.175 593 L HN 0.209 nan 8.230 nan 0.000 0.473 594 Q N 0.622 120.464 119.800 0.070 0.000 2.181 594 Q HA -0.199 4.142 4.340 0.001 0.000 0.205 594 Q C 2.287 178.336 176.000 0.082 0.000 0.980 594 Q CA 1.667 57.496 55.803 0.042 0.000 0.862 594 Q CB -0.150 28.546 28.738 -0.070 0.000 0.905 594 Q HN 0.623 nan 8.270 nan 0.000 0.429 595 A N -0.181 122.698 122.820 0.099 0.000 2.169 595 A HA 0.018 4.339 4.320 0.001 0.000 0.212 595 A C 0.884 178.525 177.584 0.095 0.000 1.153 595 A CA 0.332 52.426 52.037 0.094 0.000 0.756 595 A CB 0.090 19.156 19.000 0.110 0.000 0.813 595 A HN 0.144 nan 8.150 nan 0.000 0.471 596 M N -0.090 119.579 119.600 0.115 0.000 2.283 596 M HA 0.341 4.822 4.480 0.001 0.000 0.314 596 M C -2.470 173.900 176.300 0.116 0.000 1.153 596 M CA -2.552 52.798 55.300 0.084 0.000 1.084 596 M CB -0.517 32.124 32.600 0.068 0.000 1.468 596 M HN -0.153 nan 8.290 nan 0.000 0.474 597 P HA 0.135 nan 4.420 nan 0.000 0.270 597 P C 0.520 177.973 177.300 0.255 0.000 1.223 597 P CA 0.034 63.201 63.100 0.111 0.000 0.785 597 P CB 0.407 32.141 31.700 0.057 0.000 0.923 598 F N 0.071 120.030 119.950 0.015 0.000 2.202 598 F HA -0.142 4.386 4.527 0.001 0.000 0.301 598 F C 1.288 177.103 175.800 0.024 0.000 1.082 598 F CA 1.135 59.147 58.000 0.019 0.000 1.313 598 F CB 0.137 39.147 39.000 0.016 0.000 1.024 598 F HN 0.205 nan 8.300 nan 0.000 0.495 599 K N -0.699 119.834 120.400 0.222 0.000 2.477 599 K HA 0.732 5.053 4.320 0.001 0.000 0.255 599 K C -1.344 175.319 176.600 0.106 0.000 0.952 599 K CA -0.757 55.611 56.287 0.135 0.000 0.826 599 K CB 2.590 35.163 32.500 0.122 0.000 1.331 599 K HN -0.124 nan 8.250 nan 0.000 0.437 600 A N 1.152 124.032 122.820 0.099 0.000 2.574 600 A HA 0.313 4.633 4.320 0.001 0.000 0.297 600 A C -1.799 175.873 177.584 0.146 0.000 1.062 600 A CA -0.656 51.439 52.037 0.097 0.000 0.686 600 A CB 1.095 20.128 19.000 0.055 0.000 1.285 600 A HN 0.862 nan 8.150 nan 0.000 0.403 601 H N 1.395 120.491 119.070 0.042 0.000 2.690 601 H HA 0.278 4.835 4.556 0.001 0.000 0.314 601 H C -1.037 174.335 175.328 0.074 0.000 1.069 601 H CA 0.021 56.103 56.048 0.056 0.000 1.436 601 H CB 0.817 30.614 29.762 0.058 0.000 1.462 601 H HN 0.702 nan 8.280 nan 0.000 0.511 602 D N 5.272 125.573 120.400 -0.165 0.000 2.380 602 D HA 0.039 4.680 4.640 0.001 0.000 0.230 602 D C 0.978 177.061 176.300 -0.362 0.000 1.154 602 D CA -0.393 53.510 54.000 -0.162 0.000 0.859 602 D CB 0.635 41.411 40.800 -0.039 0.000 1.045 602 D HN 0.593 nan 8.370 nan 0.000 0.495 603 L N 3.717 124.818 121.223 -0.203 0.000 2.353 603 L HA -0.121 4.220 4.340 0.001 0.000 0.220 603 L C 1.719 178.634 176.870 0.075 0.000 1.133 603 L CA 0.264 55.062 54.840 -0.071 0.000 0.798 603 L CB -0.326 41.860 42.059 0.211 0.000 0.922 603 L HN 0.600 nan 8.230 nan 0.000 0.445 604 I N 0.088 120.645 120.570 -0.023 0.000 2.188 604 I HA -0.087 4.084 4.170 0.001 0.000 0.237 604 I C 2.551 178.656 176.117 -0.020 0.000 1.073 604 I CA 1.806 63.062 61.300 -0.074 0.000 1.359 604 I CB -1.680 36.153 38.000 -0.279 0.000 1.083 604 I HN 0.185 nan 8.210 nan 0.000 0.412 605 G N -0.690 108.077 108.800 -0.055 0.000 2.551 605 G HA2 0.147 4.107 3.960 0.001 0.000 0.216 605 G HA3 0.147 4.107 3.960 0.001 0.000 0.216 605 G C 1.396 176.286 174.900 -0.016 0.000 1.137 605 G CA 0.762 45.834 45.100 -0.046 0.000 0.798 605 G HN 0.636 nan 8.290 nan 0.000 0.536 606 G N -0.462 108.331 108.800 -0.011 0.000 2.159 606 G HA2 -0.259 3.701 3.960 0.001 0.000 0.256 606 G HA3 -0.259 3.701 3.960 0.001 0.000 0.256 606 G C 0.431 175.479 174.900 0.246 0.000 0.977 606 G CA 0.619 45.791 45.100 0.119 0.000 0.652 606 G HN 0.627 nan 8.290 nan 0.000 0.531 607 K N 0.210 120.692 120.400 0.136 0.000 2.106 607 K HA 0.574 4.894 4.320 0.001 0.000 0.246 607 K C -0.103 176.621 176.600 0.207 0.000 0.987 607 K CA -0.462 55.917 56.287 0.153 0.000 0.904 607 K CB 0.997 33.542 32.500 0.076 0.000 1.071 607 K HN 0.050 nan 8.250 nan 0.000 0.453 608 T N 1.513 116.163 114.554 0.160 0.000 2.749 608 T HA 0.209 4.560 4.350 0.001 0.000 0.295 608 T C -0.200 174.558 174.700 0.097 0.000 0.936 608 T CA -0.560 61.626 62.100 0.144 0.000 1.060 608 T CB 0.566 69.491 68.868 0.095 0.000 0.904 608 T HN 0.151 nan 8.240 nan 0.000 0.500 609 V N 3.527 123.498 119.914 0.095 0.000 2.435 609 V HA 0.359 4.479 4.120 0.001 0.000 0.290 609 V C 0.364 176.497 176.094 0.065 0.000 1.030 609 V CA -0.797 61.545 62.300 0.070 0.000 0.881 609 V CB 1.889 33.755 31.823 0.073 0.000 0.983 609 V HN 0.901 nan 8.190 nan 0.000 0.445 610 S N 4.975 120.699 115.700 0.041 0.000 2.452 610 S HA 0.466 4.937 4.470 0.001 0.000 0.284 610 S C 0.656 175.264 174.600 0.014 0.000 1.171 610 S CA -0.482 57.730 58.200 0.020 0.000 1.064 610 S CB 0.678 63.868 63.200 -0.017 0.000 0.967 610 S HN 0.594 nan 8.310 nan 0.000 0.484 611 L N 3.088 124.328 121.223 0.028 0.000 2.728 611 L HA 0.177 4.517 4.340 0.001 0.000 0.238 611 L C 1.381 178.246 176.870 -0.009 0.000 1.143 611 L CA -0.073 54.791 54.840 0.041 0.000 0.937 611 L CB -0.224 41.890 42.059 0.091 0.000 1.225 611 L HN 0.595 nan 8.230 nan 0.000 0.507 612 N N 0.654 119.272 118.700 -0.136 0.000 2.276 612 N HA -0.005 4.735 4.740 0.001 0.000 0.212 612 N C 0.010 175.398 175.510 -0.203 0.000 1.127 612 N CA -0.202 52.674 53.050 -0.290 0.000 0.834 612 N CB 0.428 38.371 38.487 -0.906 0.000 1.014 612 N HN 0.548 nan 8.380 nan 0.000 0.491 613 Q N -1.439 118.296 119.800 -0.107 0.000 2.590 613 Q HA 0.369 4.710 4.340 0.001 0.000 0.295 613 Q C -1.801 174.179 176.000 -0.033 0.000 0.973 613 Q CA -0.916 54.845 55.803 -0.070 0.000 0.768 613 Q CB 0.556 29.249 28.738 -0.075 0.000 1.479 613 Q HN -0.223 nan 8.270 nan 0.000 0.419 614 D N 1.233 121.619 120.400 -0.024 0.000 2.525 614 D HA 0.125 4.766 4.640 0.001 0.000 0.235 614 D C -0.840 175.444 176.300 -0.027 0.000 1.137 614 D CA 0.241 54.230 54.000 -0.020 0.000 0.868 614 D CB 0.632 41.421 40.800 -0.019 0.000 1.180 614 D HN 0.390 nan 8.370 nan 0.000 0.465 615 L N 2.842 124.041 121.223 -0.040 0.000 2.276 615 L HA 0.275 4.615 4.340 0.001 0.000 0.286 615 L C -0.429 176.400 176.870 -0.069 0.000 1.024 615 L CA -0.167 54.643 54.840 -0.050 0.000 0.826 615 L CB 1.202 43.222 42.059 -0.065 0.000 1.211 615 L HN 0.145 nan 8.230 nan 0.000 0.422 616 T N 6.509 121.037 114.554 -0.044 0.000 2.749 616 T HA 0.496 4.847 4.350 0.001 0.000 0.287 616 T C -0.033 174.645 174.700 -0.036 0.000 0.970 616 T CA -0.272 61.803 62.100 -0.041 0.000 0.980 616 T CB 0.488 69.341 68.868 -0.025 0.000 0.924 616 T HN 0.398 nan 8.240 nan 0.000 0.456 617 L N 3.618 124.812 121.223 -0.047 0.000 2.289 617 L HA 0.386 4.727 4.340 0.001 0.000 0.285 617 L C 0.781 177.629 176.870 -0.036 0.000 1.049 617 L CA -1.131 53.687 54.840 -0.037 0.000 0.804 617 L CB 0.995 43.029 42.059 -0.042 0.000 1.195 617 L HN 0.406 nan 8.230 nan 0.000 0.428 618 Q N 2.727 122.512 119.800 -0.025 0.000 2.471 618 Q HA 0.238 4.578 4.340 0.001 0.000 0.223 618 Q C -2.176 173.786 176.000 -0.062 0.000 1.045 618 Q CA -1.809 53.981 55.803 -0.021 0.000 0.956 618 Q CB 0.103 28.843 28.738 0.003 0.000 1.249 618 Q HN 0.288 nan 8.270 nan 0.000 0.549 619 P HA -0.117 nan 4.420 nan 0.000 0.260 619 P C -0.829 176.363 177.300 -0.180 0.000 1.172 619 P CA 0.689 63.629 63.100 -0.266 0.000 0.760 619 P CB -0.064 31.529 31.700 -0.179 0.000 0.773 620 Y N -0.730 119.468 120.300 -0.170 0.000 4.538 620 Y HA -0.283 4.268 4.550 0.001 0.000 0.225 620 Y C 1.029 176.833 175.900 -0.160 0.000 1.074 620 Y CA 0.841 58.815 58.100 -0.209 0.000 1.942 620 Y CB -2.562 35.766 38.460 -0.220 0.000 1.618 620 Y HN 0.448 nan 8.280 nan 0.000 0.642 621 Q N 0.418 120.205 119.800 -0.021 0.000 2.373 621 Q HA 0.490 4.831 4.340 0.001 0.000 0.255 621 Q C -0.498 175.486 176.000 -0.026 0.000 0.980 621 Q CA -0.078 55.712 55.803 -0.021 0.000 0.882 621 Q CB 1.375 30.102 28.738 -0.018 0.000 1.249 621 Q HN 0.240 nan 8.270 nan 0.000 0.438 622 V N 5.390 125.272 119.914 -0.053 0.000 2.680 622 V HA 0.603 4.724 4.120 0.001 0.000 0.309 622 V C -1.128 174.918 176.094 -0.079 0.000 1.052 622 V CA -0.648 61.618 62.300 -0.056 0.000 0.908 622 V CB 1.937 33.672 31.823 -0.147 0.000 1.001 622 V HN 0.946 nan 8.190 nan 0.000 0.431 623 M N 6.425 126.044 119.600 0.030 0.000 2.327 623 M HA 0.458 4.939 4.480 0.001 0.000 0.298 623 M C -1.907 174.517 176.300 0.206 0.000 1.065 623 M CA -0.316 55.020 55.300 0.060 0.000 0.916 623 M CB 2.547 35.237 32.600 0.150 0.000 1.630 623 M HN 0.646 nan 8.290 nan 0.000 0.442 624 W N 5.199 126.470 121.300 -0.049 0.000 2.406 624 W HA 0.492 5.153 4.660 0.001 0.000 0.308 624 W C -1.286 175.164 176.519 -0.115 0.000 0.965 624 W CA -0.999 56.302 57.345 -0.074 0.000 1.589 624 W CB 0.278 29.782 29.460 0.074 0.000 1.417 624 W HN 0.461 nan 8.180 nan 0.000 0.415 625 L N 2.672 123.900 121.223 0.009 0.000 2.281 625 L HA 0.296 4.636 4.340 0.001 0.000 0.285 625 L C 0.882 177.699 176.870 -0.087 0.000 1.074 625 L CA -0.370 54.444 54.840 -0.044 0.000 0.817 625 L CB 0.788 42.802 42.059 -0.076 0.000 1.168 625 L HN 0.136 nan 8.230 nan 0.000 0.434 626 E N 4.499 124.683 120.200 -0.026 0.000 2.070 626 E HA 0.094 4.445 4.350 0.001 0.000 0.282 626 E C 0.756 177.334 176.600 -0.036 0.000 1.104 626 E CA -0.082 56.295 56.400 -0.038 0.000 0.876 626 E CB 0.864 30.588 29.700 0.039 0.000 1.055 626 E HN 0.615 nan 8.360 nan 0.000 0.401 627 I N -0.632 119.887 120.570 -0.084 0.000 3.956 627 I HA 0.467 4.637 4.170 0.001 0.000 0.333 627 I C 0.495 176.581 176.117 -0.051 0.000 1.302 627 I CA -0.295 60.965 61.300 -0.066 0.000 1.122 627 I CB 0.438 38.375 38.000 -0.105 0.000 1.013 627 I HN 0.265 nan 8.210 nan 0.000 0.405 628 A N 0.000 122.788 122.820 -0.054 0.000 2.254 628 A HA 0.000 4.321 4.320 0.001 0.000 0.244 628 A CA 0.000 52.011 52.037 -0.043 0.000 0.836 628 A CB 0.000 18.968 19.000 -0.053 0.000 0.831 628 A HN 0.000 nan 8.150 nan 0.000 0.486