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 2zqx_1_C DATA FIRST_RESID 6 DATA SEQUENCE PHDKSLDNSL TLLKEGYLFI KNRTERYNSD LFQARLLGKN FICMTGAEAA DATA SEQUENCE KVFYDTDRFQ RQNALPKRVQ KSLFGVNAIQ GMDGSAHIHR KMLFLSLMTP DATA SEQUENCE PHQKRLAELM TEEWKAAVTR WEKADEVVLF EEAKEILCRV ACYWAGVPLK DATA SEQUENCE ETEVKERADD FIDMVDAFGA VGPRHWKGRR ARPRAEEWIE VMIEDARAGL DATA SEQUENCE LKTTSGTALH EMAFHTQEDG SQLDSRMAAI ELINVLRPIV AISYFLVFSA DATA SEQUENCE LALHEHPKYK EWLRSGNSRE REMFVQEVRR YYPFGPFLGA LVKKDFVWNN DATA SEQUENCE CEFKKGTSVL LDLYGTNHDP RLWDHPDEFR PERFAEREEN LFDMIPQGGG DATA SEQUENCE HAEKGHRCPG EGITIEVMKA SLDFLVHQIE YDVPEQSLHY SLARMPSLPE DATA SEQUENCE SGFVMSGIRR K 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.352 177.300 0.086 0.000 1.155 6 P CA 0.000 63.065 63.100 -0.059 0.000 0.800 6 P CB 0.000 31.662 31.700 -0.063 0.000 0.726 7 H N 1.840 120.867 119.070 -0.072 0.000 2.823 7 H HA 0.246 4.791 4.556 -0.017 0.000 0.332 7 H C -0.890 174.477 175.328 0.065 0.000 0.980 7 H CA -0.300 55.783 56.048 0.058 0.000 1.286 7 H CB 1.655 31.435 29.762 0.029 0.000 1.541 7 H HN 0.411 nan 8.280 nan 0.000 0.521 8 D N 3.345 123.815 120.400 0.117 0.000 2.506 8 D HA -0.062 4.568 4.640 -0.017 0.000 0.234 8 D C 0.166 176.629 176.300 0.271 0.000 1.143 8 D CA 0.377 54.492 54.000 0.191 0.000 0.871 8 D CB 0.910 41.784 40.800 0.124 0.000 1.190 8 D HN 0.426 nan 8.370 nan 0.000 0.459 9 K N 1.712 122.236 120.400 0.206 0.000 2.969 9 K HA 0.143 4.452 4.320 -0.017 0.000 0.222 9 K C -0.480 176.200 176.600 0.133 0.000 1.172 9 K CA -0.366 56.027 56.287 0.178 0.000 1.192 9 K CB -0.126 32.437 32.500 0.106 0.000 1.111 9 K HN 0.296 nan 8.250 nan 0.000 0.457 10 S N -0.634 115.150 115.700 0.141 0.000 2.572 10 S HA 0.306 4.765 4.470 -0.017 0.000 0.274 10 S C 0.183 174.848 174.600 0.108 0.000 1.150 10 S CA -0.896 57.368 58.200 0.107 0.000 0.944 10 S CB 1.545 64.800 63.200 0.092 0.000 1.071 10 S HN 0.049 nan 8.310 nan 0.000 0.479 11 L N 2.049 123.324 121.223 0.087 0.000 2.446 11 L HA 0.153 4.482 4.340 -0.017 0.000 0.219 11 L C 1.277 178.178 176.870 0.051 0.000 1.116 11 L CA 1.440 56.326 54.840 0.076 0.000 0.844 11 L CB -0.803 41.295 42.059 0.065 0.000 0.970 11 L HN 0.995 nan 8.230 nan 0.000 0.457 12 D N -2.201 118.225 120.400 0.042 0.000 2.336 12 D HA -0.134 4.496 4.640 -0.017 0.000 0.229 12 D C 1.230 177.531 176.300 0.001 0.000 1.061 12 D CA 0.063 54.073 54.000 0.017 0.000 0.875 12 D CB -0.906 39.903 40.800 0.016 0.000 0.904 12 D HN 0.344 nan 8.370 nan 0.000 0.525 13 N N 0.257 118.976 118.700 0.030 0.000 2.182 13 N HA -0.217 4.512 4.740 -0.017 0.000 0.192 13 N C 1.414 176.815 175.510 -0.181 0.000 1.007 13 N CA 1.359 54.421 53.050 0.020 0.000 0.873 13 N CB 0.002 38.571 38.487 0.137 0.000 0.998 13 N HN 0.092 nan 8.380 nan 0.000 0.436 14 S N 0.893 116.504 115.700 -0.148 0.000 2.353 14 S HA -0.104 4.356 4.470 -0.017 0.000 0.222 14 S C 1.979 176.457 174.600 -0.204 0.000 1.035 14 S CA 0.910 58.988 58.200 -0.203 0.000 1.025 14 S CB -0.246 62.880 63.200 -0.123 0.000 0.902 14 S HN 0.238 nan 8.310 nan 0.000 0.440 15 L N 0.834 121.981 121.223 -0.127 0.000 1.994 15 L HA -0.139 4.191 4.340 -0.017 0.000 0.208 15 L C 2.741 179.541 176.870 -0.117 0.000 1.071 15 L CA 1.405 56.185 54.840 -0.100 0.000 0.745 15 L CB -1.243 40.783 42.059 -0.054 0.000 0.892 15 L HN 0.288 nan 8.230 nan 0.000 0.431 16 T N 0.367 114.862 114.554 -0.098 0.000 2.759 16 T HA -0.231 4.108 4.350 -0.017 0.000 0.269 16 T C 1.877 176.474 174.700 -0.171 0.000 1.042 16 T CA 1.438 63.507 62.100 -0.051 0.000 1.140 16 T CB -0.316 68.595 68.868 0.072 0.000 0.864 16 T HN 0.293 nan 8.240 nan 0.000 0.455 17 L N 0.371 121.265 121.223 -0.548 0.000 2.083 17 L HA -0.016 4.314 4.340 -0.017 0.000 0.209 17 L C 2.111 178.762 176.870 -0.364 0.000 1.083 17 L CA 1.357 55.609 54.840 -0.979 0.000 0.752 17 L CB -0.274 41.060 42.059 -1.208 0.000 0.899 17 L HN 0.270 nan 8.230 nan 0.000 0.433 18 L N -0.352 120.727 121.223 -0.241 0.000 2.156 18 L HA -0.122 4.208 4.340 -0.017 0.000 0.208 18 L C 2.483 179.302 176.870 -0.086 0.000 1.095 18 L CA 0.603 55.361 54.840 -0.138 0.000 0.770 18 L CB -0.462 41.526 42.059 -0.118 0.000 0.914 18 L HN 0.214 nan 8.230 nan 0.000 0.439 19 K N 0.167 120.527 120.400 -0.066 0.000 2.296 19 K HA -0.056 4.254 4.320 -0.017 0.000 0.200 19 K C 1.627 178.229 176.600 0.004 0.000 1.048 19 K CA 0.920 57.193 56.287 -0.024 0.000 0.966 19 K CB 0.047 32.541 32.500 -0.009 0.000 0.754 19 K HN 0.433 nan 8.250 nan 0.000 0.466 20 E N -0.391 119.824 120.200 0.026 0.000 2.340 20 E HA 0.091 4.430 4.350 -0.017 0.000 0.198 20 E C 1.044 177.682 176.600 0.064 0.000 0.961 20 E CA 0.351 56.800 56.400 0.082 0.000 0.905 20 E CB 0.289 30.114 29.700 0.209 0.000 0.884 20 E HN 0.269 nan 8.360 nan 0.000 0.491 21 G N 1.478 110.287 108.800 0.016 0.000 2.629 21 G HA2 -0.408 3.541 3.960 -0.017 0.000 0.313 21 G HA3 -0.408 3.541 3.960 -0.017 0.000 0.313 21 G C 0.664 175.515 174.900 -0.082 0.000 1.217 21 G CA 0.870 45.923 45.100 -0.078 0.000 0.994 21 G HN 0.319 nan 8.290 nan 0.000 0.549 22 Y N 0.108 120.303 120.300 -0.174 0.000 2.403 22 Y HA 0.108 4.648 4.550 -0.018 0.000 0.291 22 Y C 2.877 178.662 175.900 -0.192 0.000 1.143 22 Y CA 1.454 59.359 58.100 -0.324 0.000 1.257 22 Y CB -0.258 37.694 38.460 -0.848 0.000 0.984 22 Y HN 0.245 nan 8.280 nan 0.000 0.550 23 L N -2.051 119.195 121.223 0.039 0.000 2.375 23 L HA -0.032 4.298 4.340 -0.017 0.000 0.215 23 L C 1.982 178.932 176.870 0.134 0.000 1.108 23 L CA 0.627 55.514 54.840 0.078 0.000 0.830 23 L CB -1.066 41.014 42.059 0.034 0.000 0.959 23 L HN 0.143 nan 8.230 nan 0.000 0.457 24 F N 0.937 120.914 119.950 0.045 0.000 2.063 24 F HA -0.355 4.162 4.527 -0.017 0.000 0.298 24 F C 2.138 177.992 175.800 0.090 0.000 1.105 24 F CA 2.058 60.086 58.000 0.047 0.000 1.215 24 F CB -0.233 38.809 39.000 0.071 0.000 0.972 24 F HN 0.078 nan 8.300 nan 0.000 0.483 25 I N 0.439 121.100 120.570 0.153 0.000 2.133 25 I HA -0.247 3.912 4.170 -0.017 0.000 0.238 25 I C 2.455 178.620 176.117 0.081 0.000 1.074 25 I CA 1.913 63.307 61.300 0.156 0.000 1.342 25 I CB -1.301 36.849 38.000 0.248 0.000 1.053 25 I HN 0.084 nan 8.210 nan 0.000 0.404 26 K N 1.062 121.526 120.400 0.107 0.000 2.001 26 K HA -0.269 4.041 4.320 -0.017 0.000 0.214 26 K C 2.084 178.667 176.600 -0.029 0.000 1.050 26 K CA 2.096 58.431 56.287 0.079 0.000 0.934 26 K CB -0.252 32.330 32.500 0.137 0.000 0.718 26 K HN 0.260 nan 8.250 nan 0.000 0.443 27 N N 0.710 119.365 118.700 -0.074 0.000 2.133 27 N HA -0.206 4.523 4.740 -0.017 0.000 0.193 27 N C 1.801 177.146 175.510 -0.275 0.000 1.012 27 N CA 1.626 54.591 53.050 -0.141 0.000 0.871 27 N CB -0.207 38.194 38.487 -0.143 0.000 1.011 27 N HN 0.357 nan 8.380 nan 0.000 0.435 28 R N -0.349 119.882 120.500 -0.448 0.000 2.112 28 R HA 0.043 4.373 4.340 -0.017 0.000 0.216 28 R C 2.269 178.272 176.300 -0.496 0.000 1.080 28 R CA 1.231 56.861 56.100 -0.784 0.000 0.996 28 R CB -0.341 29.064 30.300 -1.491 0.000 0.902 28 R HN 0.366 nan 8.270 nan 0.000 0.449 29 T N -0.766 113.704 114.554 -0.140 0.000 2.929 29 T HA -0.104 4.235 4.350 -0.017 0.000 0.271 29 T C 1.409 176.128 174.700 0.031 0.000 1.085 29 T CA 1.223 63.365 62.100 0.070 0.000 1.125 29 T CB -0.051 68.907 68.868 0.149 0.000 0.874 29 T HN 0.327 nan 8.240 nan 0.000 0.494 30 E N 0.264 120.444 120.200 -0.032 0.000 2.364 30 E HA 0.170 4.510 4.350 -0.017 0.000 0.196 30 E C 2.291 178.875 176.600 -0.027 0.000 0.990 30 E CA -0.024 56.372 56.400 -0.008 0.000 0.886 30 E CB 0.083 29.780 29.700 -0.004 0.000 0.866 30 E HN 0.446 nan 8.360 nan 0.000 0.493 31 R N 0.424 120.857 120.500 -0.112 0.000 2.080 31 R HA -0.007 4.322 4.340 -0.017 0.000 0.222 31 R C 1.431 177.787 176.300 0.093 0.000 1.107 31 R CA 1.001 57.047 56.100 -0.090 0.000 0.980 31 R CB 0.070 30.212 30.300 -0.264 0.000 0.879 31 R HN 0.213 nan 8.270 nan 0.000 0.439 32 Y N -0.040 120.215 120.300 -0.075 0.000 2.490 32 Y HA 0.068 4.608 4.550 -0.017 0.000 0.281 32 Y C 0.344 176.246 175.900 0.003 0.000 1.174 32 Y CA -0.256 57.821 58.100 -0.039 0.000 1.295 32 Y CB 0.142 38.581 38.460 -0.035 0.000 1.062 32 Y HN 0.241 nan 8.280 nan 0.000 0.522 33 N N 1.134 119.922 118.700 0.147 0.000 2.710 33 N HA -0.231 4.499 4.740 -0.017 0.000 0.249 33 N C -0.752 174.826 175.510 0.113 0.000 1.059 33 N CA 0.911 54.020 53.050 0.099 0.000 0.720 33 N CB -0.699 37.832 38.487 0.072 0.000 0.983 33 N HN 0.224 nan 8.380 nan 0.000 0.544 34 S N -1.444 114.351 115.700 0.158 0.000 2.627 34 S HA 0.482 4.941 4.470 -0.017 0.000 0.283 34 S C -0.184 174.529 174.600 0.188 0.000 1.127 34 S CA -0.702 57.596 58.200 0.163 0.000 0.863 34 S CB 1.276 64.594 63.200 0.197 0.000 1.121 34 S HN 0.158 nan 8.310 nan 0.000 0.479 35 D N 1.229 121.735 120.400 0.177 0.000 2.340 35 D HA 0.283 4.913 4.640 -0.017 0.000 0.220 35 D C 0.137 176.583 176.300 0.243 0.000 1.039 35 D CA 0.581 54.706 54.000 0.208 0.000 0.866 35 D CB -0.183 40.747 40.800 0.217 0.000 0.913 35 D HN 0.523 nan 8.370 nan 0.000 0.523 36 L N -2.457 118.915 121.223 0.248 0.000 2.612 36 L HA 0.641 4.971 4.340 -0.017 0.000 0.256 36 L C -1.533 175.488 176.870 0.252 0.000 0.949 36 L CA -1.286 53.661 54.840 0.177 0.000 0.867 36 L CB 1.525 43.717 42.059 0.222 0.000 1.417 36 L HN -0.153 nan 8.230 nan 0.000 0.414 37 F N -0.839 119.184 119.950 0.122 0.000 2.711 37 F HA 0.685 5.201 4.527 -0.018 0.000 0.313 37 F C -1.259 174.575 175.800 0.056 0.000 1.141 37 F CA -0.865 57.217 58.000 0.137 0.000 0.941 37 F CB 1.521 40.691 39.000 0.285 0.000 1.349 37 F HN 0.661 nan 8.300 nan 0.000 0.464 38 Q N 1.289 121.252 119.800 0.271 0.000 2.222 38 Q HA 0.819 5.149 4.340 -0.017 0.000 0.252 38 Q C -1.008 175.026 176.000 0.056 0.000 0.926 38 Q CA -1.085 54.733 55.803 0.024 0.000 0.899 38 Q CB 2.049 30.733 28.738 -0.090 0.000 1.250 38 Q HN 0.995 nan 8.270 nan 0.000 0.441 39 A N 1.718 124.544 122.820 0.011 0.000 2.594 39 A HA 0.543 4.853 4.320 -0.017 0.000 0.296 39 A C -1.569 176.083 177.584 0.113 0.000 1.061 39 A CA -0.800 51.301 52.037 0.107 0.000 0.689 39 A CB 1.504 20.747 19.000 0.405 0.000 1.280 39 A HN 0.603 nan 8.150 nan 0.000 0.406 40 R N 1.380 121.945 120.500 0.107 0.000 2.235 40 R HA 0.639 4.968 4.340 -0.017 0.000 0.338 40 R C -1.489 174.870 176.300 0.099 0.000 1.087 40 R CA 0.055 56.227 56.100 0.121 0.000 0.948 40 R CB -0.597 29.766 30.300 0.105 0.000 1.099 40 R HN 0.567 nan 8.270 nan 0.000 0.483 41 L N 4.965 126.272 121.223 0.140 0.000 2.362 41 L HA 0.446 4.775 4.340 -0.017 0.000 0.275 41 L C -0.228 176.703 176.870 0.101 0.000 0.998 41 L CA -1.273 53.559 54.840 -0.013 0.000 0.820 41 L CB 1.812 43.646 42.059 -0.375 0.000 1.270 41 L HN 0.399 nan 8.230 nan 0.000 0.415 42 L N 3.566 124.790 121.223 0.003 0.000 3.677 42 L HA -0.214 4.115 4.340 -0.017 0.000 0.464 42 L C 1.318 178.237 176.870 0.082 0.000 1.278 42 L CA 1.129 55.993 54.840 0.041 0.000 0.806 42 L CB -2.113 39.993 42.059 0.078 0.000 1.610 42 L HN 1.204 nan 8.230 nan 0.000 0.867 43 G N -0.104 108.730 108.800 0.058 0.000 2.337 43 G HA2 -0.333 3.617 3.960 -0.017 0.000 0.290 43 G HA3 -0.333 3.617 3.960 -0.017 0.000 0.290 43 G C 0.572 175.513 174.900 0.068 0.000 1.003 43 G CA 1.242 46.374 45.100 0.054 0.000 0.825 43 G HN 0.426 nan 8.290 nan 0.000 0.509 44 K N -0.314 120.154 120.400 0.114 0.000 2.502 44 K HA 0.274 4.583 4.320 -0.017 0.000 0.257 44 K C -0.272 176.388 176.600 0.101 0.000 0.938 44 K CA -1.052 55.281 56.287 0.077 0.000 0.819 44 K CB 1.080 33.601 32.500 0.035 0.000 1.333 44 K HN 0.097 nan 8.250 nan 0.000 0.434 45 N N 1.545 120.249 118.700 0.006 0.000 2.483 45 N HA 0.165 4.895 4.740 -0.017 0.000 0.264 45 N C -0.629 174.842 175.510 -0.065 0.000 1.197 45 N CA 0.511 53.569 53.050 0.014 0.000 0.927 45 N CB 0.132 38.608 38.487 -0.018 0.000 1.065 45 N HN 0.286 nan 8.380 nan 0.000 0.461 46 F N 1.108 121.035 119.950 -0.038 0.000 2.588 46 F HA 0.559 5.075 4.527 -0.017 0.000 0.314 46 F C -0.065 175.664 175.800 -0.118 0.000 1.069 46 F CA -0.816 57.144 58.000 -0.066 0.000 0.931 46 F CB 1.585 40.545 39.000 -0.066 0.000 1.260 46 F HN 0.202 nan 8.300 nan 0.000 0.465 47 I N 2.863 123.522 120.570 0.148 0.000 2.447 47 I HA 0.313 4.473 4.170 -0.017 0.000 0.287 47 I C -1.353 174.723 176.117 -0.068 0.000 1.023 47 I CA -0.429 60.836 61.300 -0.058 0.000 1.083 47 I CB 1.492 39.387 38.000 -0.175 0.000 1.245 47 I HN 0.410 nan 8.210 nan 0.000 0.434 48 C N 7.752 126.810 119.300 -0.404 0.000 2.303 48 C HA 0.707 5.157 4.460 -0.017 0.000 0.326 48 C C 0.200 174.981 174.990 -0.349 0.000 1.285 48 C CA -0.662 58.065 59.018 -0.485 0.000 1.675 48 C CB 0.320 27.486 27.740 -0.958 0.000 2.289 48 C HN 0.700 nan 8.230 nan 0.000 0.512 49 M N 2.245 121.785 119.600 -0.100 0.000 2.572 49 M HA 0.761 5.231 4.480 -0.017 0.000 0.299 49 M C -0.664 175.669 176.300 0.056 0.000 1.205 49 M CA -0.151 55.180 55.300 0.050 0.000 0.876 49 M CB 2.054 34.763 32.600 0.181 0.000 1.728 49 M HN 0.518 nan 8.290 nan 0.000 0.458 50 T N 0.142 114.774 114.554 0.131 0.000 2.831 50 T HA 0.886 5.225 4.350 -0.017 0.000 0.287 50 T C -0.328 174.474 174.700 0.169 0.000 1.070 50 T CA 0.523 62.703 62.100 0.133 0.000 1.010 50 T CB 1.677 70.635 68.868 0.150 0.000 1.264 50 T HN 1.678 nan 8.240 nan 0.000 0.532 51 G N -0.027 108.869 108.800 0.161 0.000 2.716 51 G HA2 0.278 4.228 3.960 -0.017 0.000 0.686 51 G HA3 0.278 4.228 3.960 -0.017 0.000 0.686 51 G C 0.813 175.812 174.900 0.165 0.000 1.337 51 G CA -0.094 45.108 45.100 0.170 0.000 0.829 51 G HN 1.351 nan 8.290 nan 0.000 0.599 52 A N 0.520 123.435 122.820 0.159 0.000 1.940 52 A HA -0.023 4.286 4.320 -0.017 0.000 0.219 52 A C 2.227 179.872 177.584 0.102 0.000 1.176 52 A CA 2.368 54.501 52.037 0.160 0.000 0.631 52 A CB -0.357 18.731 19.000 0.145 0.000 0.814 52 A HN 0.849 nan 8.150 nan 0.000 0.446 53 E N 0.206 120.494 120.200 0.146 0.000 2.051 53 E HA -0.157 4.183 4.350 -0.017 0.000 0.192 53 E C 2.313 178.986 176.600 0.120 0.000 0.991 53 E CA 1.338 57.858 56.400 0.199 0.000 0.799 53 E CB -0.902 29.032 29.700 0.391 0.000 0.748 53 E HN 0.593 nan 8.360 nan 0.000 0.449 54 A N 1.715 124.634 122.820 0.164 0.000 1.933 54 A HA -0.076 4.234 4.320 -0.017 0.000 0.218 54 A C 2.454 179.941 177.584 -0.160 0.000 1.175 54 A CA 2.091 54.043 52.037 -0.141 0.000 0.628 54 A CB -0.601 18.464 19.000 0.108 0.000 0.814 54 A HN 0.273 nan 8.150 nan 0.000 0.444 55 A N -0.045 122.763 122.820 -0.020 0.000 1.908 55 A HA -0.190 4.119 4.320 -0.017 0.000 0.218 55 A C 2.102 179.697 177.584 0.018 0.000 1.181 55 A CA 1.874 53.976 52.037 0.108 0.000 0.627 55 A CB -0.458 18.708 19.000 0.277 0.000 0.818 55 A HN 0.558 nan 8.150 nan 0.000 0.445 56 K N -0.281 119.843 120.400 -0.459 0.000 2.032 56 K HA -0.160 4.150 4.320 -0.017 0.000 0.209 56 K C 1.985 178.384 176.600 -0.334 0.000 1.048 56 K CA 1.913 57.691 56.287 -0.849 0.000 0.927 56 K CB -0.617 31.398 32.500 -0.808 0.000 0.712 56 K HN 0.552 nan 8.250 nan 0.000 0.441 57 V N -1.044 118.658 119.914 -0.352 0.000 2.427 57 V HA -0.195 3.915 4.120 -0.017 0.000 0.248 57 V C 2.016 178.086 176.094 -0.040 0.000 1.051 57 V CA 1.372 63.487 62.300 -0.309 0.000 1.048 57 V CB -0.971 30.434 31.823 -0.695 0.000 0.666 57 V HN 0.151 nan 8.190 nan 0.000 0.456 58 F N 1.141 120.884 119.950 -0.345 0.000 2.120 58 F HA -0.143 4.373 4.527 -0.018 0.000 0.300 58 F C 1.784 177.339 175.800 -0.409 0.000 1.095 58 F CA 1.606 59.201 58.000 -0.675 0.000 1.249 58 F CB -0.278 38.387 39.000 -0.559 0.000 0.995 58 F HN 0.224 nan 8.300 nan 0.000 0.480 59 Y N 0.082 120.431 120.300 0.081 0.000 2.775 59 Y HA 0.153 4.693 4.550 -0.018 0.000 0.349 59 Y C -0.301 175.650 175.900 0.084 0.000 1.094 59 Y CA -0.425 57.753 58.100 0.131 0.000 1.467 59 Y CB -0.561 38.106 38.460 0.346 0.000 1.272 59 Y HN -0.081 nan 8.280 nan 0.000 0.515 60 D N -0.949 119.522 120.400 0.118 0.000 2.454 60 D HA 0.140 4.770 4.640 -0.017 0.000 0.225 60 D C 1.064 177.361 176.300 -0.006 0.000 1.081 60 D CA 0.069 54.088 54.000 0.032 0.000 0.864 60 D CB 1.036 41.770 40.800 -0.111 0.000 1.040 60 D HN 0.103 nan 8.370 nan 0.000 0.517 61 T N 2.023 116.591 114.554 0.023 0.000 2.649 61 T HA -0.248 4.092 4.350 -0.017 0.000 0.268 61 T C 1.204 175.871 174.700 -0.055 0.000 1.036 61 T CA 1.911 64.013 62.100 0.004 0.000 1.157 61 T CB -0.152 68.732 68.868 0.026 0.000 0.861 61 T HN 0.649 nan 8.240 nan 0.000 0.445 62 D N -0.215 120.128 120.400 -0.094 0.000 2.349 62 D HA 0.037 4.667 4.640 -0.017 0.000 0.224 62 D C 1.924 178.082 176.300 -0.236 0.000 1.029 62 D CA 0.323 54.245 54.000 -0.129 0.000 0.879 62 D CB 0.003 40.738 40.800 -0.108 0.000 0.906 62 D HN 0.195 nan 8.370 nan 0.000 0.528 63 R N -1.061 119.231 120.500 -0.347 0.000 2.164 63 R HA 0.304 4.634 4.340 -0.017 0.000 0.198 63 R C -0.222 175.617 176.300 -0.768 0.000 1.028 63 R CA 0.512 56.194 56.100 -0.697 0.000 1.083 63 R CB 0.413 30.078 30.300 -1.059 0.000 1.026 63 R HN -0.004 nan 8.270 nan 0.000 0.514 64 F N 0.279 120.088 119.950 -0.234 0.000 2.577 64 F HA 0.428 4.945 4.527 -0.017 0.000 0.318 64 F C -0.141 175.535 175.800 -0.207 0.000 1.065 64 F CA -0.899 56.961 58.000 -0.234 0.000 0.929 64 F CB 1.832 40.577 39.000 -0.425 0.000 1.237 64 F HN -0.078 nan 8.300 nan 0.000 0.468 65 Q N 1.129 120.940 119.800 0.019 0.000 2.496 65 Q HA 0.659 4.988 4.340 -0.017 0.000 0.286 65 Q C -0.506 175.434 176.000 -0.100 0.000 1.103 65 Q CA -1.033 54.747 55.803 -0.038 0.000 0.813 65 Q CB 2.437 31.160 28.738 -0.026 0.000 1.444 65 Q HN 0.467 nan 8.270 nan 0.000 0.443 66 R N -0.063 120.361 120.500 -0.126 0.000 2.419 66 R HA 0.183 4.512 4.340 -0.017 0.000 0.235 66 R C -0.213 176.017 176.300 -0.117 0.000 0.899 66 R CA 0.166 56.140 56.100 -0.210 0.000 1.048 66 R CB 0.467 30.472 30.300 -0.491 0.000 1.182 66 R HN 0.696 nan 8.270 nan 0.000 0.544 67 Q N 1.594 121.357 119.800 -0.061 0.000 2.271 67 Q HA 0.064 4.393 4.340 -0.017 0.000 0.273 67 Q C -0.347 175.642 176.000 -0.019 0.000 1.051 67 Q CA 0.213 56.001 55.803 -0.024 0.000 0.901 67 Q CB 0.178 28.913 28.738 -0.005 0.000 1.174 67 Q HN 0.137 nan 8.270 nan 0.000 0.385 68 N N 0.721 119.416 118.700 -0.007 0.000 2.850 68 N HA -0.253 4.476 4.740 -0.017 0.000 0.249 68 N C -0.099 175.411 175.510 0.000 0.000 1.060 68 N CA 0.978 54.029 53.050 0.001 0.000 0.825 68 N CB -1.010 37.475 38.487 -0.002 0.000 1.132 68 N HN 0.684 nan 8.380 nan 0.000 0.564 69 A N -0.545 122.271 122.820 -0.005 0.000 2.348 69 A HA 0.409 4.718 4.320 -0.017 0.000 0.224 69 A C 0.419 178.037 177.584 0.057 0.000 1.227 69 A CA -0.003 52.042 52.037 0.012 0.000 0.885 69 A CB 0.519 19.507 19.000 -0.019 0.000 0.933 69 A HN 0.226 nan 8.150 nan 0.000 0.506 70 L N 1.678 122.932 121.223 0.052 0.000 2.280 70 L HA 0.346 4.675 4.340 -0.017 0.000 0.287 70 L C -2.530 174.396 176.870 0.093 0.000 1.023 70 L CA -2.218 52.677 54.840 0.091 0.000 0.819 70 L CB 1.786 43.905 42.059 0.099 0.000 1.212 70 L HN 0.030 nan 8.230 nan 0.000 0.420 71 P HA 0.012 nan 4.420 nan 0.000 0.264 71 P C 0.039 177.386 177.300 0.078 0.000 1.183 71 P CA -0.165 62.983 63.100 0.080 0.000 0.763 71 P CB 0.743 32.485 31.700 0.070 0.000 0.807 72 K N 3.025 123.461 120.400 0.061 0.000 2.063 72 K HA -0.191 4.118 4.320 -0.017 0.000 0.208 72 K C 1.930 178.575 176.600 0.074 0.000 1.048 72 K CA 1.670 57.995 56.287 0.063 0.000 0.928 72 K CB -0.418 32.108 32.500 0.044 0.000 0.713 72 K HN 0.478 nan 8.250 nan 0.000 0.442 73 R N -0.105 120.434 120.500 0.064 0.000 2.159 73 R HA -0.075 4.254 4.340 -0.017 0.000 0.237 73 R C 1.761 178.170 176.300 0.181 0.000 1.131 73 R CA 1.406 57.574 56.100 0.114 0.000 0.982 73 R CB -0.795 29.494 30.300 -0.018 0.000 0.868 73 R HN -0.056 nan 8.270 nan 0.000 0.453 74 V N 1.444 121.432 119.914 0.124 0.000 2.488 74 V HA -0.162 3.948 4.120 -0.017 0.000 0.246 74 V C 2.425 178.574 176.094 0.091 0.000 1.046 74 V CA 1.672 64.038 62.300 0.110 0.000 1.053 74 V CB -0.414 31.473 31.823 0.107 0.000 0.679 74 V HN 0.374 nan 8.190 nan 0.000 0.458 75 Q N 0.057 119.932 119.800 0.126 0.000 2.046 75 Q HA -0.138 4.191 4.340 -0.017 0.000 0.200 75 Q C 1.937 178.000 176.000 0.105 0.000 0.975 75 Q CA 1.097 56.988 55.803 0.146 0.000 0.836 75 Q CB -0.191 28.628 28.738 0.135 0.000 0.896 75 Q HN 0.531 nan 8.270 nan 0.000 0.428 76 K N 0.480 120.925 120.400 0.076 0.000 2.643 76 K HA -0.047 4.262 4.320 -0.017 0.000 0.193 76 K C 1.369 177.965 176.600 -0.008 0.000 1.027 76 K CA 0.888 57.198 56.287 0.039 0.000 1.033 76 K CB 0.161 32.673 32.500 0.019 0.000 0.827 76 K HN 0.205 nan 8.250 nan 0.000 0.500 77 S N -1.111 114.592 115.700 0.006 0.000 3.952 77 S HA -0.003 4.456 4.470 -0.017 0.000 0.211 77 S C 1.394 175.997 174.600 0.004 0.000 1.098 77 S CA -0.434 57.743 58.200 -0.039 0.000 0.954 77 S CB -0.342 62.794 63.200 -0.107 0.000 1.222 77 S HN 0.112 nan 8.310 nan 0.000 0.585 78 L N 1.080 122.275 121.223 -0.046 0.000 2.013 78 L HA 0.454 4.784 4.340 -0.017 0.000 0.204 78 L C 1.845 178.650 176.870 -0.109 0.000 1.081 78 L CA 1.956 56.691 54.840 -0.175 0.000 0.751 78 L CB -1.174 40.568 42.059 -0.529 0.000 0.901 78 L HN 0.361 nan 8.230 nan 0.000 0.440 79 F N 0.588 120.590 119.950 0.086 0.000 2.569 79 F HA 0.512 5.030 4.527 -0.017 0.000 0.295 79 F C 1.461 177.312 175.800 0.086 0.000 1.115 79 F CA 0.217 58.261 58.000 0.072 0.000 1.450 79 F CB -1.002 38.023 39.000 0.042 0.000 1.107 79 F HN 0.304 nan 8.300 nan 0.000 0.563 80 G N 0.206 109.157 108.800 0.252 0.000 2.663 80 G HA2 -0.045 3.905 3.960 -0.017 0.000 0.686 80 G HA3 -0.045 3.905 3.960 -0.017 0.000 0.686 80 G C -1.058 173.943 174.900 0.168 0.000 1.246 80 G CA -0.964 44.247 45.100 0.185 0.000 0.795 80 G HN 0.030 nan 8.290 nan 0.000 0.627 81 V N 2.406 122.395 119.914 0.125 0.000 2.583 81 V HA 0.391 4.500 4.120 -0.017 0.000 0.287 81 V C 1.251 177.405 176.094 0.099 0.000 1.051 81 V CA 0.390 62.753 62.300 0.105 0.000 1.010 81 V CB 1.303 33.175 31.823 0.082 0.000 0.988 81 V HN 1.089 nan 8.190 nan 0.000 0.478 82 N N 1.674 120.428 118.700 0.091 0.000 2.727 82 N HA -0.191 4.539 4.740 -0.017 0.000 0.249 82 N C 0.102 175.670 175.510 0.097 0.000 1.048 82 N CA 0.997 54.097 53.050 0.083 0.000 0.714 82 N CB -0.379 38.152 38.487 0.073 0.000 0.959 82 N HN 0.949 nan 8.380 nan 0.000 0.544 83 A N 0.183 123.065 122.820 0.103 0.000 2.298 83 A HA 0.545 4.855 4.320 -0.017 0.000 0.302 83 A C 1.721 179.368 177.584 0.105 0.000 1.177 83 A CA -0.179 51.929 52.037 0.118 0.000 0.912 83 A CB 0.335 19.413 19.000 0.129 0.000 1.331 83 A HN 0.237 nan 8.150 nan 0.000 0.504 84 I N -1.099 119.549 120.570 0.130 0.000 2.479 84 I HA -0.319 3.841 4.170 -0.017 0.000 0.258 84 I C 1.866 178.054 176.117 0.120 0.000 1.165 84 I CA 1.771 63.170 61.300 0.166 0.000 1.422 84 I CB -0.030 38.019 38.000 0.082 0.000 1.087 84 I HN 0.758 nan 8.210 nan 0.000 0.441 85 Q N 0.477 120.217 119.800 -0.100 0.000 2.291 85 Q HA -0.025 4.304 4.340 -0.017 0.000 0.205 85 Q C 1.662 177.514 176.000 -0.245 0.000 0.970 85 Q CA 1.380 57.011 55.803 -0.287 0.000 0.876 85 Q CB -0.181 28.182 28.738 -0.626 0.000 0.935 85 Q HN 0.580 nan 8.270 nan 0.000 0.455 86 G N -1.370 107.379 108.800 -0.085 0.000 3.774 86 G HA2 0.364 4.314 3.960 -0.017 0.000 0.287 86 G HA3 0.364 4.314 3.960 -0.017 0.000 0.287 86 G C -0.146 174.755 174.900 0.002 0.000 1.030 86 G CA -0.337 44.718 45.100 -0.075 0.000 0.824 86 G HN 0.072 nan 8.290 nan 0.000 0.518 87 M N 0.613 120.272 119.600 0.097 0.000 2.444 87 M HA 0.480 4.950 4.480 -0.017 0.000 0.319 87 M C -0.907 175.461 176.300 0.114 0.000 1.183 87 M CA -0.428 54.964 55.300 0.153 0.000 1.032 87 M CB 1.721 34.485 32.600 0.274 0.000 1.569 87 M HN -0.110 nan 8.290 nan 0.000 0.468 88 D N -0.040 120.433 120.400 0.121 0.000 2.596 88 D HA 0.660 5.290 4.640 -0.017 0.000 0.234 88 D C -0.094 176.276 176.300 0.118 0.000 1.181 88 D CA 0.287 54.342 54.000 0.091 0.000 0.856 88 D CB 2.147 42.977 40.800 0.050 0.000 1.498 88 D HN 0.836 nan 8.370 nan 0.000 0.446 89 G N 0.237 109.098 108.800 0.103 0.000 2.568 89 G HA2 -0.254 3.695 3.960 -0.017 0.000 0.222 89 G HA3 -0.254 3.695 3.960 -0.017 0.000 0.222 89 G C 0.735 175.700 174.900 0.109 0.000 1.321 89 G CA 0.199 45.352 45.100 0.087 0.000 0.893 89 G HN 0.375 nan 8.290 nan 0.000 0.569 90 S N 0.447 116.194 115.700 0.079 0.000 2.481 90 S HA 0.202 4.662 4.470 -0.017 0.000 0.231 90 S C 2.645 177.310 174.600 0.109 0.000 0.996 90 S CA 1.695 59.942 58.200 0.078 0.000 0.942 90 S CB -0.378 62.850 63.200 0.046 0.000 0.768 90 S HN 1.512 nan 8.310 nan 0.000 0.520 91 A N 1.486 124.374 122.820 0.113 0.000 1.858 91 A HA -0.185 4.124 4.320 -0.017 0.000 0.216 91 A C 1.946 179.641 177.584 0.185 0.000 1.190 91 A CA 1.607 53.728 52.037 0.140 0.000 0.617 91 A CB -1.020 18.050 19.000 0.117 0.000 0.827 91 A HN 0.691 nan 8.150 nan 0.000 0.443 92 H N -0.296 118.827 119.070 0.087 0.000 2.353 92 H HA -0.086 4.459 4.556 -0.018 0.000 0.300 92 H C 1.875 177.229 175.328 0.042 0.000 1.090 92 H CA 1.713 57.795 56.048 0.057 0.000 1.327 92 H CB -0.078 29.681 29.762 -0.005 0.000 1.383 92 H HN 0.331 nan 8.280 nan 0.000 0.508 93 I N 0.932 121.455 120.570 -0.079 0.000 2.286 93 I HA -0.248 3.912 4.170 -0.017 0.000 0.248 93 I C 2.477 178.566 176.117 -0.046 0.000 1.115 93 I CA 1.388 62.620 61.300 -0.114 0.000 1.392 93 I CB -1.398 36.611 38.000 0.016 0.000 1.065 93 I HN 0.384 nan 8.210 nan 0.000 0.418 94 H N 1.011 120.063 119.070 -0.031 0.000 2.357 94 H HA -0.158 4.387 4.556 -0.017 0.000 0.301 94 H C 2.350 177.704 175.328 0.043 0.000 1.082 94 H CA 1.955 58.022 56.048 0.031 0.000 1.342 94 H CB 0.045 29.847 29.762 0.068 0.000 1.389 94 H HN 0.020 nan 8.280 nan 0.000 0.511 95 R N 0.683 121.201 120.500 0.030 0.000 2.066 95 R HA -0.071 4.258 4.340 -0.017 0.000 0.232 95 R C 2.159 178.460 176.300 0.002 0.000 1.131 95 R CA 1.646 57.744 56.100 -0.002 0.000 0.955 95 R CB -0.311 30.071 30.300 0.136 0.000 0.851 95 R HN 0.122 nan 8.270 nan 0.000 0.432 96 K N -0.145 120.191 120.400 -0.108 0.000 2.152 96 K HA -0.063 4.246 4.320 -0.017 0.000 0.206 96 K C 1.736 178.329 176.600 -0.012 0.000 1.048 96 K CA 1.598 57.834 56.287 -0.085 0.000 0.933 96 K CB -0.108 32.139 32.500 -0.421 0.000 0.721 96 K HN 0.168 nan 8.250 nan 0.000 0.447 97 M N 0.015 119.558 119.600 -0.095 0.000 2.296 97 M HA -0.051 4.418 4.480 -0.017 0.000 0.265 97 M C 1.882 178.109 176.300 -0.122 0.000 1.064 97 M CA 0.863 56.112 55.300 -0.085 0.000 1.109 97 M CB -0.841 31.703 32.600 -0.094 0.000 1.396 97 M HN 0.212 nan 8.290 nan 0.000 0.430 98 L N -0.164 120.908 121.223 -0.251 0.000 2.093 98 L HA -0.081 4.249 4.340 -0.017 0.000 0.208 98 L C 1.973 178.644 176.870 -0.331 0.000 1.085 98 L CA 1.755 56.340 54.840 -0.426 0.000 0.755 98 L CB -0.711 40.817 42.059 -0.884 0.000 0.904 98 L HN 0.033 nan 8.230 nan 0.000 0.435 99 F N -0.569 119.274 119.950 -0.179 0.000 2.060 99 F HA -0.150 4.366 4.527 -0.018 0.000 0.295 99 F C 2.300 178.065 175.800 -0.059 0.000 1.120 99 F CA 1.649 59.586 58.000 -0.106 0.000 1.205 99 F CB -0.733 38.213 39.000 -0.090 0.000 0.986 99 F HN -0.062 nan 8.300 nan 0.000 0.470 100 L N -0.059 121.254 121.223 0.150 0.000 2.079 100 L HA -0.251 4.078 4.340 -0.017 0.000 0.210 100 L C 2.541 179.463 176.870 0.086 0.000 1.081 100 L CA 1.595 56.491 54.840 0.094 0.000 0.752 100 L CB -0.861 41.231 42.059 0.056 0.000 0.896 100 L HN 0.257 nan 8.230 nan 0.000 0.433 101 S N -0.552 115.177 115.700 0.049 0.000 2.500 101 S HA -0.103 4.357 4.470 -0.017 0.000 0.239 101 S C 1.600 176.275 174.600 0.126 0.000 0.989 101 S CA 0.811 59.053 58.200 0.071 0.000 0.951 101 S CB -0.362 62.849 63.200 0.018 0.000 0.759 101 S HN 0.456 nan 8.310 nan 0.000 0.523 102 L N -0.638 120.605 121.223 0.033 0.000 2.640 102 L HA 0.432 4.762 4.340 -0.017 0.000 0.230 102 L C 1.437 178.288 176.870 -0.032 0.000 1.123 102 L CA 0.193 54.928 54.840 -0.175 0.000 0.900 102 L CB -0.101 41.862 42.059 -0.160 0.000 1.146 102 L HN 0.299 nan 8.230 nan 0.000 0.484 103 M N -0.326 119.368 119.600 0.157 0.000 2.692 103 M HA 0.157 4.626 4.480 -0.017 0.000 0.372 103 M C 0.464 176.871 176.300 0.178 0.000 1.192 103 M CA -0.195 55.203 55.300 0.164 0.000 0.928 103 M CB 0.666 33.330 32.600 0.107 0.000 1.366 103 M HN 0.080 nan 8.290 nan 0.000 0.517 104 T N -2.409 112.304 114.554 0.264 0.000 2.766 104 T HA 0.215 4.554 4.350 -0.017 0.000 0.295 104 T C -1.993 172.780 174.700 0.121 0.000 1.024 104 T CA -1.173 61.023 62.100 0.161 0.000 1.018 104 T CB 0.514 69.466 68.868 0.139 0.000 1.002 104 T HN -0.069 nan 8.240 nan 0.000 0.532 105 P HA -0.030 nan 4.420 nan 0.000 0.216 105 P C -1.503 175.808 177.300 0.019 0.000 1.153 105 P CA 1.231 64.350 63.100 0.032 0.000 0.858 105 P CB -1.131 30.579 31.700 0.016 0.000 0.789 106 P HA -0.184 nan 4.420 nan 0.000 0.216 106 P C 1.523 178.793 177.300 -0.050 0.000 1.150 106 P CA 1.504 64.559 63.100 -0.074 0.000 0.837 106 P CB -0.453 31.150 31.700 -0.162 0.000 0.786 107 H N -0.815 118.312 119.070 0.096 0.000 2.395 107 H HA 0.007 4.553 4.556 -0.017 0.000 0.299 107 H C 1.989 177.311 175.328 -0.011 0.000 1.070 107 H CA 1.216 57.358 56.048 0.157 0.000 1.356 107 H CB -0.400 29.524 29.762 0.270 0.000 1.401 107 H HN 0.285 nan 8.280 nan 0.000 0.524 108 Q N 0.583 120.438 119.800 0.091 0.000 2.084 108 Q HA -0.136 4.193 4.340 -0.017 0.000 0.202 108 Q C 2.142 178.124 176.000 -0.029 0.000 0.978 108 Q CA 1.333 57.129 55.803 -0.012 0.000 0.844 108 Q CB 0.177 28.919 28.738 0.006 0.000 0.898 108 Q HN 0.141 nan 8.270 nan 0.000 0.426 109 K N 0.284 120.683 120.400 -0.001 0.000 2.031 109 K HA -0.117 4.192 4.320 -0.017 0.000 0.205 109 K C 1.896 178.496 176.600 -0.001 0.000 1.049 109 K CA 1.038 57.324 56.287 -0.002 0.000 0.939 109 K CB -0.154 32.348 32.500 0.003 0.000 0.717 109 K HN -0.061 nan 8.250 nan 0.000 0.438 110 R N 1.082 121.594 120.500 0.021 0.000 2.096 110 R HA -0.049 4.281 4.340 -0.017 0.000 0.240 110 R C 1.916 178.213 176.300 -0.005 0.000 1.139 110 R CA 1.557 57.686 56.100 0.047 0.000 0.952 110 R CB -0.892 29.495 30.300 0.144 0.000 0.854 110 R HN 0.200 nan 8.270 nan 0.000 0.436 111 L N -0.336 120.813 121.223 -0.124 0.000 2.083 111 L HA -0.112 4.217 4.340 -0.017 0.000 0.209 111 L C 2.466 179.271 176.870 -0.108 0.000 1.083 111 L CA 1.415 56.121 54.840 -0.223 0.000 0.752 111 L CB -0.569 41.219 42.059 -0.451 0.000 0.899 111 L HN 0.375 nan 8.230 nan 0.000 0.433 112 A N -0.182 122.599 122.820 -0.065 0.000 1.898 112 A HA -0.188 4.121 4.320 -0.017 0.000 0.216 112 A C 2.128 179.715 177.584 0.005 0.000 1.181 112 A CA 1.398 53.426 52.037 -0.015 0.000 0.620 112 A CB -0.353 18.646 19.000 -0.002 0.000 0.819 112 A HN 0.452 nan 8.150 nan 0.000 0.442 113 E N 0.047 120.250 120.200 0.005 0.000 2.077 113 E HA -0.160 4.180 4.350 -0.017 0.000 0.193 113 E C 1.916 178.524 176.600 0.012 0.000 0.989 113 E CA 1.231 57.641 56.400 0.018 0.000 0.800 113 E CB -0.347 29.369 29.700 0.026 0.000 0.746 113 E HN 0.623 nan 8.360 nan 0.000 0.452 114 L N 0.276 121.505 121.223 0.010 0.000 2.056 114 L HA -0.171 4.158 4.340 -0.017 0.000 0.207 114 L C 2.579 179.402 176.870 -0.078 0.000 1.078 114 L CA 0.644 55.488 54.840 0.006 0.000 0.749 114 L CB -0.314 41.783 42.059 0.063 0.000 0.901 114 L HN 0.215 nan 8.230 nan 0.000 0.433 115 M N -0.677 118.866 119.600 -0.094 0.000 2.117 115 M HA -0.146 4.323 4.480 -0.017 0.000 0.262 115 M C 2.388 178.610 176.300 -0.130 0.000 1.065 115 M CA 1.781 56.962 55.300 -0.197 0.000 1.114 115 M CB -1.368 31.189 32.600 -0.072 0.000 1.361 115 M HN 0.235 nan 8.290 nan 0.000 0.408 116 T N 1.203 115.770 114.554 0.020 0.000 2.684 116 T HA -0.196 4.143 4.350 -0.017 0.000 0.267 116 T C 1.602 176.305 174.700 0.005 0.000 1.036 116 T CA 1.957 64.105 62.100 0.080 0.000 1.148 116 T CB -0.363 68.546 68.868 0.069 0.000 0.863 116 T HN 0.616 nan 8.240 nan 0.000 0.436 117 E N 1.162 121.338 120.200 -0.039 0.000 2.106 117 E HA -0.145 4.195 4.350 -0.017 0.000 0.192 117 E C 2.124 178.638 176.600 -0.143 0.000 0.984 117 E CA 0.894 57.257 56.400 -0.062 0.000 0.806 117 E CB -0.210 29.463 29.700 -0.045 0.000 0.750 117 E HN 0.331 nan 8.360 nan 0.000 0.458 118 E N 0.817 120.875 120.200 -0.236 0.000 2.031 118 E HA -0.160 4.180 4.350 -0.017 0.000 0.193 118 E C 1.765 178.096 176.600 -0.448 0.000 0.994 118 E CA 1.247 57.424 56.400 -0.372 0.000 0.800 118 E CB -0.359 29.032 29.700 -0.516 0.000 0.752 118 E HN 0.498 nan 8.360 nan 0.000 0.447 119 W N 1.402 122.396 121.300 -0.509 0.000 2.338 119 W HA -0.192 4.458 4.660 -0.018 0.000 0.304 119 W C 2.553 178.591 176.519 -0.801 0.000 1.212 119 W CA 0.752 57.510 57.345 -0.978 0.000 1.264 119 W CB -0.054 28.594 29.460 -1.354 0.000 1.142 119 W HN 0.072 nan 8.180 nan 0.000 0.512 120 K N 0.060 120.369 120.400 -0.152 0.000 2.002 120 K HA -0.147 4.162 4.320 -0.017 0.000 0.209 120 K C 2.293 178.847 176.600 -0.078 0.000 1.048 120 K CA 1.485 57.767 56.287 -0.010 0.000 0.930 120 K CB -0.776 31.743 32.500 0.032 0.000 0.714 120 K HN 0.088 nan 8.250 nan 0.000 0.438 121 A N 1.575 124.315 122.820 -0.132 0.000 1.986 121 A HA -0.179 4.131 4.320 -0.017 0.000 0.220 121 A C 2.301 179.769 177.584 -0.193 0.000 1.171 121 A CA 1.983 53.938 52.037 -0.136 0.000 0.640 121 A CB -0.732 18.179 19.000 -0.147 0.000 0.811 121 A HN 0.379 nan 8.150 nan 0.000 0.451 122 A N -0.694 121.918 122.820 -0.347 0.000 2.168 122 A HA 0.171 4.481 4.320 -0.017 0.000 0.215 122 A C 2.008 179.285 177.584 -0.512 0.000 1.152 122 A CA 1.260 52.953 52.037 -0.575 0.000 0.716 122 A CB -0.612 17.765 19.000 -1.038 0.000 0.794 122 A HN 0.366 nan 8.150 nan 0.000 0.465 123 V N -0.384 119.407 119.914 -0.206 0.000 2.407 123 V HA -0.216 3.894 4.120 -0.017 0.000 0.248 123 V C 2.687 178.834 176.094 0.088 0.000 1.055 123 V CA 2.421 64.749 62.300 0.046 0.000 1.049 123 V CB -1.262 30.642 31.823 0.134 0.000 0.662 123 V HN 0.591 nan 8.190 nan 0.000 0.455 124 T N 1.239 115.809 114.554 0.027 0.000 2.674 124 T HA -0.226 4.114 4.350 -0.017 0.000 0.265 124 T C 1.954 176.704 174.700 0.084 0.000 1.039 124 T CA 2.099 64.229 62.100 0.049 0.000 1.150 124 T CB -0.295 68.583 68.868 0.016 0.000 0.864 124 T HN 0.683 nan 8.240 nan 0.000 0.427 125 R N -0.343 120.201 120.500 0.072 0.000 2.115 125 R HA -0.028 4.302 4.340 -0.017 0.000 0.226 125 R C 2.096 178.572 176.300 0.293 0.000 1.100 125 R CA 1.061 57.244 56.100 0.138 0.000 0.980 125 R CB -0.593 29.773 30.300 0.109 0.000 0.875 125 R HN 0.334 nan 8.270 nan 0.000 0.445 126 W N 2.146 123.488 121.300 0.071 0.000 2.381 126 W HA 0.037 4.686 4.660 -0.019 0.000 0.301 126 W C 1.851 178.408 176.519 0.063 0.000 1.205 126 W CA 0.375 57.766 57.345 0.076 0.000 1.285 126 W CB -0.562 28.970 29.460 0.120 0.000 1.133 126 W HN 0.201 nan 8.180 nan 0.000 0.521 127 E N -0.070 120.309 120.200 0.297 0.000 2.333 127 E HA -0.182 4.157 4.350 -0.017 0.000 0.198 127 E C 1.849 178.524 176.600 0.125 0.000 1.007 127 E CA 0.996 57.505 56.400 0.182 0.000 0.845 127 E CB 0.005 29.792 29.700 0.145 0.000 0.766 127 E HN 0.325 nan 8.360 nan 0.000 0.507 128 K N 0.244 120.721 120.400 0.129 0.000 2.166 128 K HA 0.093 4.402 4.320 -0.017 0.000 0.201 128 K C 0.960 177.600 176.600 0.067 0.000 1.052 128 K CA 0.322 56.661 56.287 0.087 0.000 0.969 128 K CB 0.226 32.775 32.500 0.082 0.000 0.761 128 K HN -0.048 nan 8.250 nan 0.000 0.459 129 A N 1.685 124.551 122.820 0.077 0.000 2.346 129 A HA -0.022 4.287 4.320 -0.017 0.000 0.252 129 A C 0.661 178.248 177.584 0.005 0.000 1.089 129 A CA -0.124 51.933 52.037 0.034 0.000 0.797 129 A CB 0.394 19.408 19.000 0.023 0.000 1.047 129 A HN 0.133 nan 8.150 nan 0.000 0.494 130 D N -0.414 119.976 120.400 -0.016 0.000 2.110 130 D HA 0.003 4.633 4.640 -0.017 0.000 0.202 130 D C 0.500 176.763 176.300 -0.062 0.000 0.975 130 D CA 1.466 55.449 54.000 -0.029 0.000 0.839 130 D CB 0.226 41.008 40.800 -0.029 0.000 0.996 130 D HN 0.696 nan 8.370 nan 0.000 0.464 131 E N -1.177 118.970 120.200 -0.089 0.000 2.393 131 E HA 0.618 4.958 4.350 -0.017 0.000 0.265 131 E C -1.201 175.278 176.600 -0.203 0.000 0.941 131 E CA -1.045 55.267 56.400 -0.146 0.000 0.801 131 E CB 3.122 32.743 29.700 -0.131 0.000 1.313 131 E HN -0.230 nan 8.360 nan 0.000 0.435 132 V N 1.059 120.803 119.914 -0.283 0.000 2.852 132 V HA 0.138 4.247 4.120 -0.017 0.000 0.300 132 V C -1.054 174.869 176.094 -0.285 0.000 1.205 132 V CA -0.846 61.243 62.300 -0.351 0.000 0.940 132 V CB 2.192 33.573 31.823 -0.737 0.000 1.047 132 V HN 0.426 nan 8.190 nan 0.000 0.429 133 V N 5.562 125.377 119.914 -0.165 0.000 2.320 133 V HA 0.227 4.336 4.120 -0.017 0.000 0.265 133 V C 1.376 177.463 176.094 -0.013 0.000 1.048 133 V CA -0.008 62.246 62.300 -0.076 0.000 0.865 133 V CB 1.070 32.883 31.823 -0.017 0.000 1.043 133 V HN 0.846 nan 8.190 nan 0.000 0.474 134 L N 3.408 124.641 121.223 0.016 0.000 2.064 134 L HA -0.222 4.108 4.340 -0.017 0.000 0.216 134 L C 2.121 179.100 176.870 0.182 0.000 1.077 134 L CA 2.249 57.157 54.840 0.114 0.000 0.766 134 L CB -0.252 41.910 42.059 0.171 0.000 0.890 134 L HN 0.678 nan 8.230 nan 0.000 0.435 135 F N 1.108 121.051 119.950 -0.013 0.000 2.069 135 F HA -0.261 4.255 4.527 -0.019 0.000 0.298 135 F C 2.604 178.388 175.800 -0.026 0.000 1.113 135 F CA 1.825 59.784 58.000 -0.069 0.000 1.214 135 F CB -0.296 38.605 39.000 -0.166 0.000 0.978 135 F HN 0.106 nan 8.300 nan 0.000 0.474 136 E N 0.255 120.446 120.200 -0.016 0.000 2.085 136 E HA -0.195 4.144 4.350 -0.017 0.000 0.194 136 E C 2.147 178.713 176.600 -0.057 0.000 0.994 136 E CA 1.303 57.650 56.400 -0.089 0.000 0.801 136 E CB -0.468 29.230 29.700 -0.003 0.000 0.743 136 E HN 0.494 nan 8.360 nan 0.000 0.453 137 E N 0.647 120.882 120.200 0.059 0.000 2.072 137 E HA -0.087 4.253 4.350 -0.017 0.000 0.191 137 E C 2.041 178.701 176.600 0.101 0.000 0.985 137 E CA 0.999 57.505 56.400 0.177 0.000 0.801 137 E CB -0.345 29.631 29.700 0.459 0.000 0.750 137 E HN 0.213 nan 8.360 nan 0.000 0.452 138 A N 1.880 124.778 122.820 0.129 0.000 1.865 138 A HA -0.263 4.047 4.320 -0.017 0.000 0.217 138 A C 2.106 179.628 177.584 -0.105 0.000 1.191 138 A CA 2.065 54.152 52.037 0.083 0.000 0.623 138 A CB -0.493 18.589 19.000 0.138 0.000 0.826 138 A HN 0.169 nan 8.150 nan 0.000 0.444 139 K N -0.340 119.916 120.400 -0.240 0.000 2.015 139 K HA -0.246 4.063 4.320 -0.017 0.000 0.216 139 K C 2.061 178.597 176.600 -0.106 0.000 1.052 139 K CA 2.094 58.244 56.287 -0.229 0.000 0.937 139 K CB -0.320 31.978 32.500 -0.338 0.000 0.719 139 K HN 0.663 nan 8.250 nan 0.000 0.446 140 E N 0.570 120.710 120.200 -0.100 0.000 2.031 140 E HA -0.187 4.152 4.350 -0.017 0.000 0.193 140 E C 2.181 178.722 176.600 -0.099 0.000 0.994 140 E CA 1.297 57.654 56.400 -0.071 0.000 0.800 140 E CB -0.177 29.487 29.700 -0.060 0.000 0.752 140 E HN 0.263 nan 8.360 nan 0.000 0.447 141 I N 1.055 121.517 120.570 -0.181 0.000 2.127 141 I HA -0.288 3.872 4.170 -0.017 0.000 0.241 141 I C 2.337 178.322 176.117 -0.220 0.000 1.075 141 I CA 0.750 61.874 61.300 -0.292 0.000 1.334 141 I CB -0.215 37.424 38.000 -0.602 0.000 1.040 141 I HN 0.180 nan 8.210 nan 0.000 0.405 142 L N 0.024 121.143 121.223 -0.175 0.000 2.042 142 L HA -0.314 4.016 4.340 -0.017 0.000 0.210 142 L C 2.784 179.644 176.870 -0.016 0.000 1.076 142 L CA 1.803 56.589 54.840 -0.091 0.000 0.749 142 L CB -1.459 40.578 42.059 -0.038 0.000 0.893 142 L HN 0.502 nan 8.230 nan 0.000 0.432 143 C N -0.180 119.135 119.300 0.024 0.000 2.429 143 C HA -0.165 4.285 4.460 -0.017 0.000 0.277 143 C C 3.110 178.178 174.990 0.130 0.000 1.262 143 C CA 0.633 59.728 59.018 0.129 0.000 1.733 143 C CB -0.621 27.223 27.740 0.173 0.000 2.010 143 C HN 0.445 nan 8.230 nan 0.000 0.483 144 R N -0.055 120.475 120.500 0.051 0.000 2.073 144 R HA -0.108 4.222 4.340 -0.017 0.000 0.234 144 R C 2.069 178.432 176.300 0.105 0.000 1.134 144 R CA 2.129 58.259 56.100 0.049 0.000 0.952 144 R CB -0.329 29.944 30.300 -0.045 0.000 0.850 144 R HN 0.492 nan 8.270 nan 0.000 0.433 145 V N 0.715 120.667 119.914 0.062 0.000 2.307 145 V HA -0.190 3.920 4.120 -0.017 0.000 0.245 145 V C 2.474 178.697 176.094 0.215 0.000 1.045 145 V CA 1.780 64.155 62.300 0.125 0.000 1.024 145 V CB -0.730 31.091 31.823 -0.003 0.000 0.651 145 V HN 0.476 nan 8.190 nan 0.000 0.449 146 A N -0.626 122.290 122.820 0.160 0.000 1.892 146 A HA -0.296 4.014 4.320 -0.017 0.000 0.218 146 A C 2.387 180.192 177.584 0.368 0.000 1.188 146 A CA 2.525 54.711 52.037 0.248 0.000 0.631 146 A CB -1.221 17.861 19.000 0.136 0.000 0.822 146 A HN 0.599 nan 8.150 nan 0.000 0.447 147 C N -2.556 116.917 119.300 0.289 0.000 2.462 147 C HA -0.072 4.377 4.460 -0.017 0.000 0.278 147 C C 2.519 177.661 174.990 0.253 0.000 1.253 147 C CA 0.988 60.164 59.018 0.263 0.000 1.713 147 C CB -1.566 26.350 27.740 0.294 0.000 2.049 147 C HN 0.722 nan 8.230 nan 0.000 0.477 148 Y N 0.405 120.792 120.300 0.146 0.000 2.151 148 Y HA -0.265 4.275 4.550 -0.017 0.000 0.284 148 Y C 2.326 178.312 175.900 0.142 0.000 1.166 148 Y CA 1.893 60.062 58.100 0.114 0.000 1.163 148 Y CB -0.817 37.699 38.460 0.094 0.000 0.974 148 Y HN 0.589 nan 8.280 nan 0.000 0.511 149 W N 0.666 121.928 121.300 -0.063 0.000 2.388 149 W HA -0.049 4.600 4.660 -0.019 0.000 0.294 149 W C 2.203 178.659 176.519 -0.105 0.000 1.212 149 W CA 2.408 59.669 57.345 -0.139 0.000 1.271 149 W CB -0.585 28.851 29.460 -0.040 0.000 1.126 149 W HN 0.075 nan 8.180 nan 0.000 0.535 150 A N 0.215 122.933 122.820 -0.171 0.000 2.119 150 A HA 0.298 4.608 4.320 -0.017 0.000 0.216 150 A C 1.936 179.338 177.584 -0.304 0.000 1.152 150 A CA 1.382 53.156 52.037 -0.438 0.000 0.708 150 A CB -1.126 17.791 19.000 -0.138 0.000 0.805 150 A HN 1.003 nan 8.150 nan 0.000 0.460 151 G N -1.879 106.811 108.800 -0.182 0.000 2.141 151 G HA2 -0.182 3.768 3.960 -0.017 0.000 0.242 151 G HA3 -0.182 3.768 3.960 -0.017 0.000 0.242 151 G C 0.124 174.992 174.900 -0.053 0.000 0.982 151 G CA 0.112 45.138 45.100 -0.124 0.000 0.662 151 G HN 0.769 nan 8.290 nan 0.000 0.527 152 V N 2.280 122.180 119.914 -0.024 0.000 2.408 152 V HA 0.350 4.460 4.120 -0.017 0.000 0.267 152 V C -1.358 174.787 176.094 0.086 0.000 1.047 152 V CA -1.282 61.007 62.300 -0.019 0.000 0.937 152 V CB 1.205 33.000 31.823 -0.047 0.000 0.999 152 V HN 0.136 nan 8.190 nan 0.000 0.472 153 P HA 0.162 nan 4.420 nan 0.000 0.262 153 P C -0.862 176.578 177.300 0.233 0.000 1.182 153 P CA 0.005 63.187 63.100 0.136 0.000 0.761 153 P CB 0.435 32.195 31.700 0.100 0.000 0.795 154 L N 3.489 124.835 121.223 0.205 0.000 2.516 154 L HA 0.368 4.697 4.340 -0.017 0.000 0.267 154 L C -0.756 176.181 176.870 0.112 0.000 0.957 154 L CA -0.481 54.486 54.840 0.213 0.000 0.860 154 L CB 1.614 43.808 42.059 0.226 0.000 1.265 154 L HN 0.153 nan 8.230 nan 0.000 0.403 155 K N 2.847 123.296 120.400 0.081 0.000 2.205 155 K HA 0.201 4.511 4.320 -0.017 0.000 0.279 155 K C 0.521 177.123 176.600 0.002 0.000 1.027 155 K CA -0.327 55.979 56.287 0.032 0.000 0.932 155 K CB 1.559 34.071 32.500 0.020 0.000 1.032 155 K HN 0.563 nan 8.250 nan 0.000 0.466 156 E N 1.320 121.516 120.200 -0.008 0.000 2.209 156 E HA -0.158 4.182 4.350 -0.017 0.000 0.196 156 E C 1.179 177.760 176.600 -0.031 0.000 0.993 156 E CA 1.764 58.151 56.400 -0.022 0.000 0.819 156 E CB 0.002 29.686 29.700 -0.026 0.000 0.745 156 E HN 0.701 nan 8.360 nan 0.000 0.477 157 T N -2.713 111.822 114.554 -0.031 0.000 3.169 157 T HA 0.107 4.447 4.350 -0.017 0.000 0.250 157 T C 1.270 175.933 174.700 -0.062 0.000 1.111 157 T CA 0.562 62.638 62.100 -0.040 0.000 1.010 157 T CB 0.102 68.950 68.868 -0.033 0.000 0.984 157 T HN 0.261 nan 8.240 nan 0.000 0.537 158 E N -0.015 120.141 120.200 -0.072 0.000 2.606 158 E HA 0.157 4.496 4.350 -0.017 0.000 0.224 158 E C 1.372 177.891 176.600 -0.136 0.000 0.930 158 E CA 0.017 56.341 56.400 -0.126 0.000 1.125 158 E CB 0.482 30.100 29.700 -0.136 0.000 1.123 158 E HN 0.285 nan 8.360 nan 0.000 0.522 159 V N 1.699 121.566 119.914 -0.078 0.000 2.255 159 V HA -0.291 3.819 4.120 -0.017 0.000 0.247 159 V C 2.025 178.075 176.094 -0.074 0.000 1.051 159 V CA 2.157 64.423 62.300 -0.057 0.000 1.018 159 V CB -0.382 31.420 31.823 -0.036 0.000 0.641 159 V HN 0.145 nan 8.190 nan 0.000 0.445 160 K N 0.681 121.036 120.400 -0.076 0.000 2.057 160 K HA -0.179 4.131 4.320 -0.017 0.000 0.207 160 K C 2.103 178.641 176.600 -0.104 0.000 1.049 160 K CA 1.717 57.959 56.287 -0.075 0.000 0.931 160 K CB -0.475 31.989 32.500 -0.060 0.000 0.714 160 K HN 0.837 nan 8.250 nan 0.000 0.440 161 E N 0.544 120.660 120.200 -0.139 0.000 2.051 161 E HA -0.181 4.158 4.350 -0.017 0.000 0.192 161 E C 1.815 178.260 176.600 -0.259 0.000 0.991 161 E CA 0.774 57.066 56.400 -0.180 0.000 0.799 161 E CB -0.159 29.422 29.700 -0.199 0.000 0.748 161 E HN -0.013 nan 8.360 nan 0.000 0.449 162 R N 0.904 121.197 120.500 -0.344 0.000 2.091 162 R HA -0.036 4.293 4.340 -0.017 0.000 0.238 162 R C 2.434 178.515 176.300 -0.365 0.000 1.136 162 R CA 1.473 57.266 56.100 -0.512 0.000 0.959 162 R CB -1.064 28.916 30.300 -0.534 0.000 0.856 162 R HN 0.410 nan 8.270 nan 0.000 0.437 163 A N 1.551 124.303 122.820 -0.114 0.000 1.877 163 A HA -0.165 4.145 4.320 -0.017 0.000 0.216 163 A C 1.718 179.313 177.584 0.018 0.000 1.186 163 A CA 1.760 53.827 52.037 0.049 0.000 0.620 163 A CB -0.399 18.609 19.000 0.014 0.000 0.822 163 A HN 0.158 nan 8.150 nan 0.000 0.443 164 D N 0.119 120.486 120.400 -0.054 0.000 2.144 164 D HA -0.112 4.517 4.640 -0.017 0.000 0.199 164 D C 1.360 177.648 176.300 -0.019 0.000 0.984 164 D CA 1.427 55.411 54.000 -0.027 0.000 0.834 164 D CB -0.427 40.346 40.800 -0.045 0.000 0.955 164 D HN 0.388 nan 8.370 nan 0.000 0.465 165 D N -0.536 119.792 120.400 -0.120 0.000 2.117 165 D HA -0.122 4.507 4.640 -0.017 0.000 0.197 165 D C 1.846 178.138 176.300 -0.013 0.000 0.987 165 D CA 0.566 54.487 54.000 -0.132 0.000 0.829 165 D CB -0.271 40.354 40.800 -0.291 0.000 0.961 165 D HN 0.146 nan 8.370 nan 0.000 0.460 166 F N 0.610 120.603 119.950 0.072 0.000 2.075 166 F HA -0.122 4.397 4.527 -0.014 0.000 0.297 166 F C 2.321 178.200 175.800 0.131 0.000 1.113 166 F CA 0.453 58.520 58.000 0.112 0.000 1.218 166 F CB -0.648 38.426 39.000 0.123 0.000 0.984 166 F HN -0.019 nan 8.300 nan 0.000 0.472 167 I N 0.193 120.957 120.570 0.324 0.000 2.226 167 I HA -0.262 3.897 4.170 -0.017 0.000 0.245 167 I C 1.907 178.175 176.117 0.251 0.000 1.100 167 I CA 1.466 62.952 61.300 0.309 0.000 1.374 167 I CB -1.338 36.814 38.000 0.254 0.000 1.057 167 I HN 0.095 nan 8.210 nan 0.000 0.413 168 D N 0.233 120.734 120.400 0.168 0.000 2.221 168 D HA -0.168 4.461 4.640 -0.017 0.000 0.204 168 D C 2.362 178.725 176.300 0.105 0.000 0.982 168 D CA 0.990 55.059 54.000 0.116 0.000 0.857 168 D CB -0.106 40.736 40.800 0.070 0.000 0.934 168 D HN 0.307 nan 8.370 nan 0.000 0.475 169 M N -0.434 119.250 119.600 0.141 0.000 2.123 169 M HA -0.113 4.357 4.480 -0.017 0.000 0.263 169 M C 2.184 178.564 176.300 0.134 0.000 1.069 169 M CA 0.842 56.217 55.300 0.124 0.000 1.133 169 M CB 0.023 32.732 32.600 0.183 0.000 1.356 169 M HN -0.097 nan 8.290 nan 0.000 0.415 170 V N 0.065 120.098 119.914 0.198 0.000 2.307 170 V HA -0.262 3.848 4.120 -0.017 0.000 0.245 170 V C 1.535 177.721 176.094 0.154 0.000 1.045 170 V CA 2.059 64.501 62.300 0.237 0.000 1.024 170 V CB -0.722 31.276 31.823 0.293 0.000 0.651 170 V HN 0.437 nan 8.190 nan 0.000 0.449 171 D N -0.341 120.134 120.400 0.125 0.000 2.392 171 D HA 0.019 4.649 4.640 -0.017 0.000 0.228 171 D C 1.500 177.740 176.300 -0.101 0.000 1.003 171 D CA 0.876 54.882 54.000 0.009 0.000 0.917 171 D CB 0.069 40.949 40.800 0.133 0.000 0.890 171 D HN 0.434 nan 8.370 nan 0.000 0.532 172 A N -0.791 121.990 122.820 -0.064 0.000 2.358 172 A HA 0.116 4.425 4.320 -0.017 0.000 0.223 172 A C 1.456 179.056 177.584 0.025 0.000 1.218 172 A CA -0.206 51.809 52.037 -0.036 0.000 0.942 172 A CB -0.676 18.301 19.000 -0.039 0.000 1.005 172 A HN 0.360 nan 8.150 nan 0.000 0.514 173 F N 0.278 120.228 119.950 -0.000 0.000 2.236 173 F HA 0.086 4.603 4.527 -0.017 0.000 0.302 173 F C 1.207 176.998 175.800 -0.014 0.000 1.073 173 F CA 1.027 59.010 58.000 -0.029 0.000 1.336 173 F CB -0.754 38.165 39.000 -0.136 0.000 1.040 173 F HN 0.083 nan 8.300 nan 0.000 0.507 174 G N 0.010 108.636 108.800 -0.292 0.000 4.637 174 G HA2 0.626 4.576 3.960 -0.017 0.000 0.294 174 G HA3 0.626 4.576 3.960 -0.017 0.000 0.294 174 G C -0.602 174.196 174.900 -0.170 0.000 1.215 174 G CA 0.128 45.143 45.100 -0.141 0.000 0.943 174 G HN 0.657 nan 8.290 nan 0.000 0.572 175 A N -0.052 122.709 122.820 -0.099 0.000 2.423 175 A HA 0.889 5.199 4.320 -0.017 0.000 0.304 175 A C -0.650 176.890 177.584 -0.074 0.000 1.104 175 A CA -0.707 51.287 52.037 -0.071 0.000 0.757 175 A CB 1.942 20.921 19.000 -0.035 0.000 1.313 175 A HN 1.121 nan 8.150 nan 0.000 0.423 176 V N -0.777 119.107 119.914 -0.050 0.000 2.604 176 V HA 0.932 5.042 4.120 -0.017 0.000 0.305 176 V C 0.597 176.716 176.094 0.042 0.000 1.043 176 V CA 0.297 62.565 62.300 -0.052 0.000 0.888 176 V CB 0.391 32.176 31.823 -0.063 0.000 0.995 176 V HN 2.817 nan 8.190 nan 0.000 0.429 177 G N 5.051 113.911 108.800 0.101 0.000 2.520 177 G HA2 -0.170 3.779 3.960 -0.017 0.000 0.248 177 G HA3 -0.170 3.779 3.960 -0.017 0.000 0.248 177 G C -1.500 173.595 174.900 0.326 0.000 1.161 177 G CA 0.225 45.453 45.100 0.214 0.000 0.946 177 G HN 0.723 nan 8.290 nan 0.000 0.565 178 P HA -0.095 nan 4.420 nan 0.000 0.214 178 P C 2.039 179.455 177.300 0.193 0.000 1.169 178 P CA 2.129 65.349 63.100 0.200 0.000 0.908 178 P CB -0.195 31.564 31.700 0.098 0.000 0.791 179 R N -1.946 118.629 120.500 0.125 0.000 2.105 179 R HA -0.210 4.120 4.340 -0.017 0.000 0.239 179 R C 2.447 178.808 176.300 0.102 0.000 1.135 179 R CA 1.623 57.775 56.100 0.087 0.000 0.967 179 R CB -0.921 29.398 30.300 0.032 0.000 0.861 179 R HN 0.365 nan 8.270 nan 0.000 0.442 180 H N -0.870 118.213 119.070 0.022 0.000 2.395 180 H HA -0.115 4.431 4.556 -0.017 0.000 0.299 180 H C 1.643 176.960 175.328 -0.018 0.000 1.070 180 H CA 1.569 57.591 56.048 -0.042 0.000 1.356 180 H CB -0.182 29.506 29.762 -0.123 0.000 1.401 180 H HN 0.210 nan 8.280 nan 0.000 0.524 181 W N 1.519 122.817 121.300 -0.005 0.000 2.335 181 W HA -0.168 4.486 4.660 -0.011 0.000 0.311 181 W C 2.463 178.936 176.519 -0.078 0.000 1.213 181 W CA 1.506 58.823 57.345 -0.046 0.000 1.274 181 W CB 0.031 29.497 29.460 0.010 0.000 1.148 181 W HN 0.166 nan 8.180 nan 0.000 0.498 182 K N -0.585 119.940 120.400 0.210 0.000 2.034 182 K HA -0.206 4.104 4.320 -0.017 0.000 0.214 182 K C 2.264 178.896 176.600 0.053 0.000 1.051 182 K CA 1.614 57.969 56.287 0.113 0.000 0.931 182 K CB -1.123 31.423 32.500 0.078 0.000 0.715 182 K HN 0.293 nan 8.250 nan 0.000 0.446 183 G N 1.356 110.148 108.800 -0.013 0.000 2.432 183 G HA2 -0.243 3.706 3.960 -0.017 0.000 0.219 183 G HA3 -0.243 3.706 3.960 -0.017 0.000 0.219 183 G C 1.474 176.326 174.900 -0.079 0.000 1.135 183 G CA 0.391 45.462 45.100 -0.048 0.000 0.767 183 G HN 0.116 nan 8.290 nan 0.000 0.550 184 R N 0.151 120.558 120.500 -0.155 0.000 2.120 184 R HA 0.049 4.379 4.340 -0.017 0.000 0.234 184 R C 2.503 178.826 176.300 0.039 0.000 1.123 184 R CA 0.869 56.891 56.100 -0.130 0.000 0.975 184 R CB -0.371 29.762 30.300 -0.278 0.000 0.866 184 R HN 0.276 nan 8.270 nan 0.000 0.446 185 R N -0.265 120.298 120.500 0.104 0.000 2.156 185 R HA 0.206 4.536 4.340 -0.017 0.000 0.207 185 R C 2.126 178.458 176.300 0.054 0.000 1.040 185 R CA 0.942 57.106 56.100 0.106 0.000 1.013 185 R CB -0.274 30.098 30.300 0.121 0.000 0.931 185 R HN 0.167 nan 8.270 nan 0.000 0.465 186 A N 1.047 123.889 122.820 0.037 0.000 1.877 186 A HA -0.193 4.117 4.320 -0.017 0.000 0.216 186 A C 2.070 179.674 177.584 0.033 0.000 1.186 186 A CA 1.613 53.658 52.037 0.013 0.000 0.620 186 A CB -0.470 18.538 19.000 0.014 0.000 0.822 186 A HN 0.250 nan 8.150 nan 0.000 0.443 187 R N 0.106 120.640 120.500 0.057 0.000 2.115 187 R HA -0.156 4.173 4.340 -0.017 0.000 0.239 187 R C -0.864 175.492 176.300 0.092 0.000 1.133 187 R CA 2.352 58.506 56.100 0.090 0.000 0.935 187 R CB -1.448 28.899 30.300 0.079 0.000 0.853 187 R HN 0.364 nan 8.270 nan 0.000 0.433 188 P HA -0.184 nan 4.420 nan 0.000 0.216 188 P C 0.672 178.021 177.300 0.082 0.000 1.153 188 P CA 1.635 64.781 63.100 0.077 0.000 0.858 188 P CB -0.131 31.610 31.700 0.068 0.000 0.789 189 R N -0.567 119.969 120.500 0.061 0.000 2.080 189 R HA -0.098 4.231 4.340 -0.017 0.000 0.236 189 R C 2.304 178.675 176.300 0.118 0.000 1.137 189 R CA 1.783 57.912 56.100 0.049 0.000 0.943 189 R CB -1.251 29.037 30.300 -0.021 0.000 0.846 189 R HN 0.160 nan 8.270 nan 0.000 0.431 190 A N 1.290 124.186 122.820 0.127 0.000 1.877 190 A HA -0.200 4.109 4.320 -0.017 0.000 0.216 190 A C 1.987 179.753 177.584 0.303 0.000 1.186 190 A CA 1.430 53.639 52.037 0.287 0.000 0.620 190 A CB -0.442 18.688 19.000 0.216 0.000 0.822 190 A HN 0.339 nan 8.150 nan 0.000 0.443 191 E N -0.697 119.621 120.200 0.196 0.000 2.070 191 E HA -0.252 4.088 4.350 -0.017 0.000 0.197 191 E C 2.122 178.792 176.600 0.117 0.000 1.004 191 E CA 1.426 57.910 56.400 0.141 0.000 0.805 191 E CB -0.152 29.616 29.700 0.114 0.000 0.744 191 E HN 0.795 nan 8.360 nan 0.000 0.451 192 E N 0.102 120.382 120.200 0.132 0.000 2.038 192 E HA -0.232 4.107 4.350 -0.017 0.000 0.195 192 E C 1.912 178.605 176.600 0.155 0.000 1.000 192 E CA 1.360 57.830 56.400 0.118 0.000 0.803 192 E CB -0.255 29.512 29.700 0.113 0.000 0.750 192 E HN 0.331 nan 8.360 nan 0.000 0.448 193 W N 1.465 122.769 121.300 0.006 0.000 2.321 193 W HA -0.227 4.427 4.660 -0.010 0.000 0.306 193 W C 1.763 178.290 176.519 0.013 0.000 1.217 193 W CA 1.384 58.730 57.345 0.002 0.000 1.257 193 W CB -0.282 29.170 29.460 -0.014 0.000 1.145 193 W HN 0.146 nan 8.180 nan 0.000 0.509 194 I N 0.483 120.934 120.570 -0.198 0.000 2.584 194 I HA -0.155 4.005 4.170 -0.017 0.000 0.255 194 I C 2.279 178.267 176.117 -0.214 0.000 1.145 194 I CA 1.637 62.698 61.300 -0.399 0.000 1.462 194 I CB -1.513 36.325 38.000 -0.271 0.000 1.102 194 I HN 0.182 nan 8.210 nan 0.000 0.433 195 E N 1.195 121.340 120.200 -0.092 0.000 2.085 195 E HA -0.178 4.161 4.350 -0.017 0.000 0.194 195 E C 2.313 178.867 176.600 -0.077 0.000 0.994 195 E CA 1.345 57.705 56.400 -0.067 0.000 0.801 195 E CB 0.243 29.933 29.700 -0.016 0.000 0.743 195 E HN 0.209 nan 8.360 nan 0.000 0.453 196 V N 1.042 120.920 119.914 -0.061 0.000 2.332 196 V HA -0.320 3.790 4.120 -0.017 0.000 0.248 196 V C 2.446 178.489 176.094 -0.085 0.000 1.055 196 V CA 2.062 64.335 62.300 -0.046 0.000 1.038 196 V CB -0.448 31.372 31.823 -0.004 0.000 0.651 196 V HN 0.397 nan 8.190 nan 0.000 0.450 197 M N -0.963 118.549 119.600 -0.146 0.000 2.108 197 M HA -0.168 4.301 4.480 -0.017 0.000 0.261 197 M C 2.169 178.368 176.300 -0.168 0.000 1.066 197 M CA 1.785 56.983 55.300 -0.170 0.000 1.107 197 M CB -0.418 32.020 32.600 -0.268 0.000 1.356 197 M HN 0.242 nan 8.290 nan 0.000 0.406 198 I N 0.438 120.899 120.570 -0.181 0.000 2.179 198 I HA -0.245 3.914 4.170 -0.017 0.000 0.242 198 I C 2.126 178.137 176.117 -0.177 0.000 1.088 198 I CA 1.790 62.965 61.300 -0.207 0.000 1.357 198 I CB -1.315 36.575 38.000 -0.182 0.000 1.051 198 I HN 0.403 nan 8.210 nan 0.000 0.409 199 E N 0.598 120.729 120.200 -0.115 0.000 2.106 199 E HA -0.209 4.130 4.350 -0.017 0.000 0.192 199 E C 1.582 178.147 176.600 -0.058 0.000 0.984 199 E CA 1.131 57.485 56.400 -0.076 0.000 0.806 199 E CB -0.088 29.584 29.700 -0.047 0.000 0.750 199 E HN 0.459 nan 8.360 nan 0.000 0.458 200 D N 0.515 120.880 120.400 -0.058 0.000 2.224 200 D HA -0.055 4.575 4.640 -0.017 0.000 0.205 200 D C 1.744 178.027 176.300 -0.028 0.000 0.965 200 D CA 0.954 54.934 54.000 -0.033 0.000 0.852 200 D CB -0.086 40.697 40.800 -0.028 0.000 0.947 200 D HN 0.159 nan 8.370 nan 0.000 0.494 201 A N 0.915 123.690 122.820 -0.075 0.000 1.854 201 A HA -0.112 4.198 4.320 -0.017 0.000 0.214 201 A C 2.106 179.697 177.584 0.011 0.000 1.192 201 A CA 0.872 52.869 52.037 -0.068 0.000 0.611 201 A CB -0.373 18.486 19.000 -0.235 0.000 0.832 201 A HN 0.077 nan 8.150 nan 0.000 0.442 202 R N -0.320 120.132 120.500 -0.080 0.000 2.200 202 R HA -0.054 4.276 4.340 -0.017 0.000 0.234 202 R C 1.865 178.228 176.300 0.105 0.000 1.127 202 R CA 0.995 57.130 56.100 0.059 0.000 0.989 202 R CB -0.328 29.950 30.300 -0.036 0.000 0.869 202 R HN 0.493 nan 8.270 nan 0.000 0.459 203 A N -0.248 122.604 122.820 0.053 0.000 2.275 203 A HA 0.280 4.589 4.320 -0.017 0.000 0.212 203 A C 1.509 179.126 177.584 0.055 0.000 1.201 203 A CA 0.587 52.651 52.037 0.045 0.000 0.843 203 A CB 0.137 19.150 19.000 0.021 0.000 0.873 203 A HN 0.389 nan 8.150 nan 0.000 0.492 204 G N -0.676 108.175 108.800 0.084 0.000 2.184 204 G HA2 -0.287 3.663 3.960 -0.017 0.000 0.264 204 G HA3 -0.287 3.663 3.960 -0.017 0.000 0.264 204 G C 0.831 175.761 174.900 0.051 0.000 0.975 204 G CA 0.559 45.706 45.100 0.080 0.000 0.642 204 G HN 0.460 nan 8.290 nan 0.000 0.536 205 L N -1.049 120.196 121.223 0.037 0.000 2.465 205 L HA 0.318 4.648 4.340 -0.017 0.000 0.224 205 L C 1.050 177.935 176.870 0.024 0.000 1.145 205 L CA 0.521 55.376 54.840 0.025 0.000 0.834 205 L CB 0.033 42.102 42.059 0.016 0.000 0.944 205 L HN 0.321 nan 8.230 nan 0.000 0.451 206 L N -0.032 121.208 121.223 0.028 0.000 2.385 206 L HA 0.371 4.701 4.340 -0.017 0.000 0.273 206 L C -0.137 176.761 176.870 0.046 0.000 0.990 206 L CA -0.625 54.229 54.840 0.023 0.000 0.821 206 L CB 1.446 43.503 42.059 -0.003 0.000 1.279 206 L HN -0.222 nan 8.230 nan 0.000 0.412 207 K N 2.324 122.749 120.400 0.042 0.000 2.412 207 K HA 0.500 4.810 4.320 -0.017 0.000 0.281 207 K C -0.647 175.991 176.600 0.064 0.000 1.027 207 K CA 0.354 56.673 56.287 0.052 0.000 0.989 207 K CB 0.417 32.937 32.500 0.034 0.000 0.935 207 K HN 0.767 nan 8.250 nan 0.000 0.475 208 T N -0.016 114.606 114.554 0.113 0.000 2.900 208 T HA 0.475 4.814 4.350 -0.017 0.000 0.295 208 T C -0.677 174.082 174.700 0.098 0.000 1.044 208 T CA -1.004 61.189 62.100 0.156 0.000 0.995 208 T CB 1.617 70.697 68.868 0.352 0.000 1.072 208 T HN 0.356 nan 8.240 nan 0.000 0.473 209 T N 2.104 116.655 114.554 -0.005 0.000 2.770 209 T HA 0.495 4.835 4.350 -0.017 0.000 0.283 209 T C 0.308 174.795 174.700 -0.354 0.000 0.988 209 T CA -0.511 61.496 62.100 -0.155 0.000 0.957 209 T CB 1.254 70.043 68.868 -0.133 0.000 0.930 209 T HN 0.865 nan 8.240 nan 0.000 0.443 210 S N 2.593 117.908 115.700 -0.642 0.000 2.575 210 S HA 0.359 4.818 4.470 -0.017 0.000 0.295 210 S C 1.563 175.980 174.600 -0.306 0.000 1.267 210 S CA 1.186 58.901 58.200 -0.808 0.000 1.074 210 S CB -0.523 62.358 63.200 -0.531 0.000 0.829 210 S HN 1.226 nan 8.310 nan 0.000 0.497 211 G N 3.146 111.854 108.800 -0.153 0.000 2.259 211 G HA2 -0.228 3.722 3.960 -0.017 0.000 0.217 211 G HA3 -0.228 3.722 3.960 -0.017 0.000 0.217 211 G C 0.284 175.137 174.900 -0.079 0.000 1.001 211 G CA 0.241 45.314 45.100 -0.045 0.000 0.627 211 G HN 1.489 nan 8.290 nan 0.000 0.501 212 T N -0.870 113.581 114.554 -0.172 0.000 2.904 212 T HA 0.722 5.062 4.350 -0.017 0.000 0.290 212 T C 1.726 176.210 174.700 -0.361 0.000 1.018 212 T CA 0.562 62.444 62.100 -0.363 0.000 1.075 212 T CB 1.777 70.443 68.868 -0.337 0.000 0.986 212 T HN 1.453 nan 8.240 nan 0.000 0.523 213 A N 2.000 124.449 122.820 -0.619 0.000 1.917 213 A HA -0.025 4.284 4.320 -0.017 0.000 0.219 213 A C 2.233 179.640 177.584 -0.295 0.000 1.182 213 A CA 1.529 53.287 52.037 -0.465 0.000 0.633 213 A CB -1.066 17.608 19.000 -0.544 0.000 0.819 213 A HN 0.926 nan 8.150 nan 0.000 0.448 214 L N -1.449 119.613 121.223 -0.268 0.000 1.989 214 L HA -0.254 4.076 4.340 -0.017 0.000 0.211 214 L C 2.634 179.393 176.870 -0.184 0.000 1.071 214 L CA 2.622 57.336 54.840 -0.209 0.000 0.749 214 L CB -0.562 41.392 42.059 -0.174 0.000 0.890 214 L HN 0.723 nan 8.230 nan 0.000 0.431 215 H N -0.328 118.641 119.070 -0.169 0.000 2.319 215 H HA -0.201 4.345 4.556 -0.018 0.000 0.299 215 H C 2.163 177.479 175.328 -0.019 0.000 1.092 215 H CA 2.075 58.105 56.048 -0.030 0.000 1.302 215 H CB 0.214 30.022 29.762 0.076 0.000 1.373 215 H HN 0.302 nan 8.280 nan 0.000 0.497 216 E N -0.083 120.135 120.200 0.030 0.000 2.106 216 E HA -0.141 4.198 4.350 -0.017 0.000 0.192 216 E C 2.191 178.709 176.600 -0.137 0.000 0.984 216 E CA 1.001 57.388 56.400 -0.021 0.000 0.806 216 E CB -0.232 29.420 29.700 -0.080 0.000 0.750 216 E HN 0.526 nan 8.360 nan 0.000 0.458 217 M N 0.191 119.654 119.600 -0.229 0.000 2.254 217 M HA 0.012 4.481 4.480 -0.017 0.000 0.265 217 M C 2.066 178.225 176.300 -0.235 0.000 1.066 217 M CA 1.142 56.298 55.300 -0.241 0.000 1.123 217 M CB -0.269 32.180 32.600 -0.251 0.000 1.388 217 M HN 0.100 nan 8.290 nan 0.000 0.425 218 A N -1.109 121.475 122.820 -0.393 0.000 1.929 218 A HA -0.036 4.274 4.320 -0.017 0.000 0.216 218 A C 1.406 178.616 177.584 -0.623 0.000 1.176 218 A CA 1.278 52.956 52.037 -0.599 0.000 0.628 218 A CB -0.666 17.764 19.000 -0.950 0.000 0.816 218 A HN 0.450 nan 8.150 nan 0.000 0.444 219 F N -0.914 118.909 119.950 -0.212 0.000 2.664 219 F HA 0.230 4.747 4.527 -0.017 0.000 0.303 219 F C 0.797 176.547 175.800 -0.084 0.000 1.092 219 F CA -0.930 56.956 58.000 -0.190 0.000 1.305 219 F CB -0.829 37.963 39.000 -0.347 0.000 1.054 219 F HN 0.317 nan 8.300 nan 0.000 0.565 220 H N 1.310 120.363 119.070 -0.028 0.000 2.848 220 H HA 0.280 4.826 4.556 -0.018 0.000 0.341 220 H C 0.215 175.553 175.328 0.016 0.000 1.060 220 H CA -0.181 55.853 56.048 -0.024 0.000 1.444 220 H CB 0.690 30.394 29.762 -0.097 0.000 1.446 220 H HN 0.107 nan 8.280 nan 0.000 0.583 221 T N 2.682 116.908 114.554 -0.546 0.000 2.797 221 T HA 0.360 4.700 4.350 -0.017 0.000 0.279 221 T C 0.117 174.561 174.700 -0.426 0.000 0.991 221 T CA -1.103 60.783 62.100 -0.356 0.000 0.979 221 T CB 1.449 70.230 68.868 -0.145 0.000 0.943 221 T HN 0.732 nan 8.240 nan 0.000 0.444 222 Q N 1.855 121.535 119.800 -0.199 0.000 2.447 222 Q HA 0.203 4.532 4.340 -0.017 0.000 0.180 222 Q C 1.433 177.292 176.000 -0.235 0.000 1.135 222 Q CA -0.542 55.236 55.803 -0.043 0.000 1.206 222 Q CB 0.615 29.355 28.738 0.004 0.000 1.351 222 Q HN 0.769 nan 8.270 nan 0.000 0.646 223 E N 0.833 120.798 120.200 -0.391 0.000 2.038 223 E HA -0.227 4.113 4.350 -0.017 0.000 0.195 223 E C 1.320 177.804 176.600 -0.193 0.000 1.000 223 E CA 1.582 57.741 56.400 -0.401 0.000 0.803 223 E CB -0.149 29.378 29.700 -0.287 0.000 0.750 223 E HN 0.605 nan 8.360 nan 0.000 0.448 224 D N -0.881 119.445 120.400 -0.123 0.000 2.392 224 D HA -0.020 4.609 4.640 -0.017 0.000 0.228 224 D C 1.217 177.476 176.300 -0.068 0.000 1.003 224 D CA 0.886 54.840 54.000 -0.077 0.000 0.917 224 D CB -0.016 40.754 40.800 -0.051 0.000 0.890 224 D HN 0.313 nan 8.370 nan 0.000 0.532 225 G N -0.257 108.492 108.800 -0.085 0.000 2.176 225 G HA2 -0.261 3.688 3.960 -0.017 0.000 0.253 225 G HA3 -0.261 3.688 3.960 -0.017 0.000 0.253 225 G C 0.286 175.151 174.900 -0.057 0.000 0.979 225 G CA 0.318 45.377 45.100 -0.068 0.000 0.641 225 G HN 0.893 nan 8.290 nan 0.000 0.530 226 S N 0.398 116.066 115.700 -0.053 0.000 2.508 226 S HA 0.648 5.108 4.470 -0.017 0.000 0.284 226 S C 0.389 174.965 174.600 -0.040 0.000 1.192 226 S CA 0.200 58.379 58.200 -0.035 0.000 1.070 226 S CB 1.480 64.667 63.200 -0.022 0.000 1.004 226 S HN 0.903 nan 8.310 nan 0.000 0.493 227 Q N 2.937 122.720 119.800 -0.029 0.000 2.492 227 Q HA 0.415 4.744 4.340 -0.017 0.000 0.238 227 Q C -0.231 175.768 176.000 -0.001 0.000 1.045 227 Q CA -0.694 55.095 55.803 -0.023 0.000 0.934 227 Q CB 0.149 28.880 28.738 -0.012 0.000 1.276 227 Q HN 0.709 nan 8.270 nan 0.000 0.521 228 L N 0.634 121.869 121.223 0.020 0.000 2.476 228 L HA 0.090 4.419 4.340 -0.017 0.000 0.264 228 L C 0.655 177.529 176.870 0.007 0.000 1.224 228 L CA -0.525 54.334 54.840 0.032 0.000 0.821 228 L CB 0.011 42.100 42.059 0.050 0.000 1.101 228 L HN 0.755 nan 8.230 nan 0.000 0.488 229 D N 0.030 120.439 120.400 0.015 0.000 2.414 229 D HA -0.033 4.597 4.640 -0.017 0.000 0.242 229 D C 1.147 177.442 176.300 -0.008 0.000 1.129 229 D CA 0.320 54.323 54.000 0.006 0.000 0.885 229 D CB 1.360 42.171 40.800 0.018 0.000 1.198 229 D HN 0.586 nan 8.370 nan 0.000 0.437 230 S N 3.832 119.520 115.700 -0.021 0.000 2.387 230 S HA -0.309 4.150 4.470 -0.017 0.000 0.230 230 S C 1.843 176.426 174.600 -0.028 0.000 1.035 230 S CA 1.312 59.487 58.200 -0.041 0.000 1.014 230 S CB -0.192 62.983 63.200 -0.042 0.000 0.836 230 S HN 0.574 nan 8.310 nan 0.000 0.466 231 R N 0.925 121.424 120.500 -0.003 0.000 2.075 231 R HA 0.137 4.466 4.340 -0.017 0.000 0.232 231 R C 2.272 178.587 176.300 0.025 0.000 1.126 231 R CA 1.668 57.777 56.100 0.014 0.000 0.963 231 R CB -0.890 29.427 30.300 0.028 0.000 0.858 231 R HN 0.471 nan 8.270 nan 0.000 0.435 232 M N 0.094 119.710 119.600 0.027 0.000 2.117 232 M HA 0.089 4.558 4.480 -0.017 0.000 0.262 232 M C 1.929 178.245 176.300 0.027 0.000 1.065 232 M CA 1.942 57.268 55.300 0.043 0.000 1.114 232 M CB -0.615 32.015 32.600 0.050 0.000 1.361 232 M HN 0.230 nan 8.290 nan 0.000 0.408 233 A N -0.433 122.381 122.820 -0.009 0.000 1.933 233 A HA 0.033 4.342 4.320 -0.017 0.000 0.218 233 A C 2.342 179.892 177.584 -0.058 0.000 1.175 233 A CA 2.021 54.026 52.037 -0.054 0.000 0.628 233 A CB -1.323 17.619 19.000 -0.096 0.000 0.814 233 A HN 0.616 nan 8.150 nan 0.000 0.444 234 A N -0.006 122.792 122.820 -0.037 0.000 1.873 234 A HA -0.037 4.272 4.320 -0.017 0.000 0.215 234 A C 2.105 179.710 177.584 0.036 0.000 1.186 234 A CA 1.410 53.431 52.037 -0.027 0.000 0.616 234 A CB -0.590 18.401 19.000 -0.015 0.000 0.823 234 A HN 0.469 nan 8.150 nan 0.000 0.442 235 I N -0.183 120.428 120.570 0.067 0.000 2.264 235 I HA -0.223 3.936 4.170 -0.017 0.000 0.248 235 I C 2.266 178.471 176.117 0.147 0.000 1.111 235 I CA 1.253 62.624 61.300 0.119 0.000 1.382 235 I CB -0.302 37.770 38.000 0.120 0.000 1.060 235 I HN 0.312 nan 8.210 nan 0.000 0.418 236 E N 0.252 120.523 120.200 0.118 0.000 2.208 236 E HA -0.155 4.184 4.350 -0.017 0.000 0.193 236 E C 2.044 178.713 176.600 0.116 0.000 0.988 236 E CA 0.824 57.326 56.400 0.171 0.000 0.828 236 E CB -0.191 29.538 29.700 0.048 0.000 0.763 236 E HN 0.329 nan 8.360 nan 0.000 0.478 237 L N 0.903 122.143 121.223 0.028 0.000 2.109 237 L HA -0.066 4.263 4.340 -0.017 0.000 0.207 237 L C 1.944 178.865 176.870 0.084 0.000 1.086 237 L CA 1.031 55.871 54.840 0.000 0.000 0.760 237 L CB -0.282 41.736 42.059 -0.069 0.000 0.910 237 L HN -0.008 nan 8.230 nan 0.000 0.437 238 I N -0.006 120.643 120.570 0.132 0.000 2.454 238 I HA -0.220 3.939 4.170 -0.017 0.000 0.254 238 I C 1.802 178.020 176.117 0.168 0.000 1.156 238 I CA 0.896 62.318 61.300 0.203 0.000 1.433 238 I CB -1.512 36.649 38.000 0.269 0.000 1.082 238 I HN 0.379 nan 8.210 nan 0.000 0.432 239 N N 0.465 119.289 118.700 0.207 0.000 2.550 239 N HA -0.053 4.677 4.740 -0.017 0.000 0.186 239 N C 1.777 177.409 175.510 0.204 0.000 1.110 239 N CA 0.644 53.828 53.050 0.223 0.000 0.912 239 N CB 0.526 39.168 38.487 0.259 0.000 0.968 239 N HN 0.241 nan 8.380 nan 0.000 0.448 240 V N 0.273 120.306 119.914 0.198 0.000 2.627 240 V HA 0.059 4.168 4.120 -0.017 0.000 0.239 240 V C 2.295 178.432 176.094 0.071 0.000 1.077 240 V CA 0.342 62.754 62.300 0.188 0.000 1.103 240 V CB -0.166 31.796 31.823 0.233 0.000 0.802 240 V HN 0.084 nan 8.190 nan 0.000 0.482 241 L N 0.252 121.473 121.223 -0.004 0.000 2.012 241 L HA -0.196 4.133 4.340 -0.017 0.000 0.210 241 L C 2.744 179.275 176.870 -0.566 0.000 1.073 241 L CA 2.074 56.789 54.840 -0.208 0.000 0.748 241 L CB -0.634 41.312 42.059 -0.188 0.000 0.891 241 L HN 0.299 nan 8.230 nan 0.000 0.431 242 R N 0.377 120.524 120.500 -0.588 0.000 2.080 242 R HA -0.167 4.163 4.340 -0.017 0.000 0.236 242 R C -0.306 175.904 176.300 -0.151 0.000 1.137 242 R CA 1.924 57.730 56.100 -0.490 0.000 0.943 242 R CB -1.245 29.020 30.300 -0.059 0.000 0.846 242 R HN 0.223 nan 8.270 nan 0.000 0.431 243 P HA -0.140 nan 4.420 nan 0.000 0.217 243 P C 1.126 178.434 177.300 0.013 0.000 1.148 243 P CA 1.371 64.479 63.100 0.014 0.000 0.828 243 P CB -0.054 31.660 31.700 0.023 0.000 0.783 244 I N -1.481 119.069 120.570 -0.033 0.000 2.252 244 I HA -0.170 3.990 4.170 -0.017 0.000 0.245 244 I C 2.072 178.196 176.117 0.012 0.000 1.102 244 I CA 1.185 62.469 61.300 -0.027 0.000 1.385 244 I CB -0.545 37.411 38.000 -0.072 0.000 1.064 244 I HN -0.178 nan 8.210 nan 0.000 0.414 245 V N 1.001 120.905 119.914 -0.016 0.000 2.515 245 V HA -0.192 3.917 4.120 -0.017 0.000 0.250 245 V C 2.574 178.755 176.094 0.146 0.000 1.058 245 V CA 1.671 63.998 62.300 0.044 0.000 1.064 245 V CB -0.778 31.080 31.823 0.057 0.000 0.675 245 V HN 0.474 nan 8.190 nan 0.000 0.461 246 A N -0.251 122.694 122.820 0.209 0.000 2.172 246 A HA -0.052 4.258 4.320 -0.017 0.000 0.216 246 A C 2.047 179.933 177.584 0.504 0.000 1.154 246 A CA 0.967 53.260 52.037 0.425 0.000 0.701 246 A CB -0.590 18.617 19.000 0.346 0.000 0.789 246 A HN 0.537 nan 8.150 nan 0.000 0.465 247 I N 0.038 120.797 120.570 0.315 0.000 2.700 247 I HA -0.219 3.941 4.170 -0.017 0.000 0.261 247 I C 2.265 178.635 176.117 0.421 0.000 1.219 247 I CA 0.889 62.406 61.300 0.361 0.000 1.463 247 I CB -0.262 37.881 38.000 0.239 0.000 1.092 247 I HN 0.236 nan 8.210 nan 0.000 0.452 248 S N 0.318 116.220 115.700 0.337 0.000 2.374 248 S HA -0.228 4.231 4.470 -0.017 0.000 0.227 248 S C 1.845 176.664 174.600 0.366 0.000 1.037 248 S CA 1.531 59.876 58.200 0.242 0.000 1.024 248 S CB -0.407 62.731 63.200 -0.103 0.000 0.861 248 S HN 0.402 nan 8.310 nan 0.000 0.456 249 Y N 0.503 121.027 120.300 0.372 0.000 2.097 249 Y HA -0.145 4.395 4.550 -0.018 0.000 0.282 249 Y C 2.202 178.220 175.900 0.197 0.000 1.152 249 Y CA 1.151 59.310 58.100 0.099 0.000 1.136 249 Y CB -0.751 37.491 38.460 -0.364 0.000 0.975 249 Y HN 0.172 nan 8.280 nan 0.000 0.498 250 F N -0.854 119.435 119.950 0.565 0.000 2.161 250 F HA -0.220 4.297 4.527 -0.017 0.000 0.300 250 F C 2.057 178.013 175.800 0.260 0.000 1.089 250 F CA 0.754 59.026 58.000 0.455 0.000 1.282 250 F CB -1.047 38.214 39.000 0.435 0.000 1.010 250 F HN 0.020 nan 8.300 nan 0.000 0.485 251 L N -0.626 120.849 121.223 0.420 0.000 2.012 251 L HA -0.201 4.129 4.340 -0.017 0.000 0.210 251 L C 2.556 179.476 176.870 0.084 0.000 1.073 251 L CA 1.253 56.242 54.840 0.249 0.000 0.748 251 L CB -1.724 40.502 42.059 0.278 0.000 0.891 251 L HN -0.020 nan 8.230 nan 0.000 0.431 252 V N -1.259 118.663 119.914 0.013 0.000 2.427 252 V HA -0.260 3.849 4.120 -0.017 0.000 0.248 252 V C 2.363 178.207 176.094 -0.417 0.000 1.051 252 V CA 1.279 63.433 62.300 -0.243 0.000 1.048 252 V CB -0.578 31.071 31.823 -0.290 0.000 0.666 252 V HN 0.177 nan 8.190 nan 0.000 0.456 253 F N 1.419 121.210 119.950 -0.265 0.000 2.146 253 F HA -0.167 4.351 4.527 -0.016 0.000 0.298 253 F C 2.851 178.383 175.800 -0.447 0.000 1.096 253 F CA 1.619 59.272 58.000 -0.578 0.000 1.275 253 F CB -1.005 37.576 39.000 -0.698 0.000 1.008 253 F HN 0.272 nan 8.300 nan 0.000 0.480 254 S N -0.021 115.721 115.700 0.070 0.000 2.400 254 S HA -0.176 4.283 4.470 -0.017 0.000 0.232 254 S C 2.104 176.776 174.600 0.119 0.000 1.025 254 S CA 0.940 59.273 58.200 0.221 0.000 0.993 254 S CB -0.886 62.486 63.200 0.287 0.000 0.808 254 S HN 0.248 nan 8.310 nan 0.000 0.478 255 A N 0.907 123.637 122.820 -0.151 0.000 2.072 255 A HA 0.402 4.711 4.320 -0.017 0.000 0.216 255 A C 2.130 179.428 177.584 -0.476 0.000 1.156 255 A CA 0.555 52.381 52.037 -0.352 0.000 0.701 255 A CB -0.508 18.083 19.000 -0.681 0.000 0.816 255 A HN 0.544 nan 8.150 nan 0.000 0.458 256 L N -1.078 119.893 121.223 -0.421 0.000 2.209 256 L HA -0.012 4.318 4.340 -0.017 0.000 0.207 256 L C 2.764 179.672 176.870 0.064 0.000 1.094 256 L CA 1.051 55.800 54.840 -0.153 0.000 0.790 256 L CB -0.321 41.650 42.059 -0.146 0.000 0.932 256 L HN 0.416 nan 8.230 nan 0.000 0.447 257 A N 0.092 122.890 122.820 -0.036 0.000 1.858 257 A HA -0.258 4.052 4.320 -0.017 0.000 0.216 257 A C 2.068 179.729 177.584 0.127 0.000 1.190 257 A CA 1.683 53.590 52.037 -0.216 0.000 0.617 257 A CB -0.894 17.689 19.000 -0.695 0.000 0.827 257 A HN 0.397 nan 8.150 nan 0.000 0.443 258 L N -0.711 120.722 121.223 0.350 0.000 2.261 258 L HA -0.182 4.148 4.340 -0.017 0.000 0.216 258 L C 2.159 179.225 176.870 0.327 0.000 1.114 258 L CA 2.796 57.852 54.840 0.360 0.000 0.777 258 L CB -0.738 41.434 42.059 0.189 0.000 0.910 258 L HN 0.668 nan 8.230 nan 0.000 0.440 259 H N -1.078 118.128 119.070 0.227 0.000 2.370 259 H HA -0.014 4.532 4.556 -0.017 0.000 0.304 259 H C 2.104 177.563 175.328 0.218 0.000 1.055 259 H CA 1.712 57.908 56.048 0.247 0.000 1.373 259 H CB 0.103 30.081 29.762 0.360 0.000 1.423 259 H HN 0.342 nan 8.280 nan 0.000 0.533 260 E N -0.449 119.779 120.200 0.048 0.000 2.204 260 E HA -0.086 4.254 4.350 -0.017 0.000 0.194 260 E C 0.007 176.583 176.600 -0.041 0.000 0.989 260 E CA 0.829 57.209 56.400 -0.034 0.000 0.824 260 E CB 0.095 29.915 29.700 0.199 0.000 0.756 260 E HN 0.589 nan 8.360 nan 0.000 0.477 261 H N -1.436 117.674 119.070 0.067 0.000 2.340 261 H HA 0.228 4.773 4.556 -0.018 0.000 0.233 261 H C -2.021 173.469 175.328 0.270 0.000 1.435 261 H CA -2.155 54.014 56.048 0.201 0.000 1.389 261 H CB 0.956 30.930 29.762 0.353 0.000 1.491 261 H HN 0.092 nan 8.280 nan 0.000 0.518 262 P HA -0.221 nan 4.420 nan 0.000 0.218 262 P C 1.381 178.777 177.300 0.160 0.000 1.148 262 P CA 1.377 64.576 63.100 0.164 0.000 0.822 262 P CB 0.298 32.038 31.700 0.066 0.000 0.784 263 K N -1.698 118.761 120.400 0.099 0.000 2.442 263 K HA -0.193 4.117 4.320 -0.017 0.000 0.200 263 K C 1.036 177.572 176.600 -0.108 0.000 1.045 263 K CA 1.586 57.840 56.287 -0.056 0.000 0.937 263 K CB -0.924 31.461 32.500 -0.191 0.000 0.757 263 K HN 0.221 nan 8.250 nan 0.000 0.474 264 Y N 0.741 121.188 120.300 0.245 0.000 2.497 264 Y HA 0.128 4.668 4.550 -0.017 0.000 0.265 264 Y C 2.206 178.306 175.900 0.333 0.000 1.111 264 Y CA 0.128 58.455 58.100 0.377 0.000 1.288 264 Y CB 0.297 39.079 38.460 0.537 0.000 1.082 264 Y HN -0.018 nan 8.280 nan 0.000 0.536 265 K N 1.349 121.944 120.400 0.323 0.000 2.009 265 K HA -0.244 4.065 4.320 -0.017 0.000 0.210 265 K C 1.973 178.657 176.600 0.141 0.000 1.049 265 K CA 2.104 58.497 56.287 0.177 0.000 0.929 265 K CB -0.140 32.424 32.500 0.108 0.000 0.714 265 K HN 0.139 nan 8.250 nan 0.000 0.440 266 E N -0.594 119.688 120.200 0.136 0.000 2.047 266 E HA -0.166 4.174 4.350 -0.017 0.000 0.191 266 E C 1.716 178.406 176.600 0.150 0.000 0.987 266 E CA 1.488 57.946 56.400 0.097 0.000 0.799 266 E CB -0.641 29.104 29.700 0.074 0.000 0.752 266 E HN 0.488 nan 8.360 nan 0.000 0.449 267 W N 0.606 121.927 121.300 0.036 0.000 2.341 267 W HA -0.149 4.501 4.660 -0.018 0.000 0.283 267 W C 1.470 178.044 176.519 0.091 0.000 1.215 267 W CA 1.574 58.956 57.345 0.063 0.000 1.211 267 W CB -0.175 29.344 29.460 0.098 0.000 1.131 267 W HN 0.153 nan 8.180 nan 0.000 0.552 268 L N -0.398 120.875 121.223 0.083 0.000 2.127 268 L HA -0.036 4.294 4.340 -0.017 0.000 0.203 268 L C 2.718 179.568 176.870 -0.033 0.000 1.080 268 L CA 1.212 56.003 54.840 -0.081 0.000 0.768 268 L CB -0.907 41.143 42.059 -0.015 0.000 0.924 268 L HN -0.121 nan 8.230 nan 0.000 0.444 269 R N 0.871 121.358 120.500 -0.023 0.000 2.113 269 R HA -0.205 4.124 4.340 -0.017 0.000 0.231 269 R C 2.342 178.549 176.300 -0.155 0.000 1.129 269 R CA 2.427 58.436 56.100 -0.152 0.000 0.915 269 R CB -0.379 29.824 30.300 -0.162 0.000 0.837 269 R HN 0.370 nan 8.270 nan 0.000 0.430 270 S N -0.161 115.471 115.700 -0.114 0.000 2.507 270 S HA 0.071 4.530 4.470 -0.017 0.000 0.235 270 S C 1.119 175.638 174.600 -0.135 0.000 0.988 270 S CA 0.136 58.277 58.200 -0.100 0.000 0.944 270 S CB -0.350 62.816 63.200 -0.057 0.000 0.762 270 S HN 0.563 nan 8.310 nan 0.000 0.526 271 G N 1.212 109.888 108.800 -0.208 0.000 2.712 271 G HA2 0.333 4.283 3.960 -0.017 0.000 0.258 271 G HA3 0.333 4.283 3.960 -0.017 0.000 0.258 271 G C -0.256 174.531 174.900 -0.188 0.000 1.241 271 G CA -0.597 44.295 45.100 -0.345 0.000 0.923 271 G HN 0.480 nan 8.290 nan 0.000 0.548 272 N N -2.590 115.987 118.700 -0.206 0.000 2.966 272 N HA 0.243 4.973 4.740 -0.017 0.000 0.314 272 N C 1.481 176.930 175.510 -0.102 0.000 1.397 272 N CA -0.131 52.854 53.050 -0.108 0.000 0.776 272 N CB 1.771 40.209 38.487 -0.083 0.000 1.576 272 N HN 0.364 nan 8.380 nan 0.000 0.592 273 S N -0.211 115.452 115.700 -0.062 0.000 2.442 273 S HA -0.082 4.378 4.470 -0.017 0.000 0.236 273 S C 1.682 176.253 174.600 -0.048 0.000 1.007 273 S CA 1.285 59.454 58.200 -0.052 0.000 0.965 273 S CB -0.200 62.981 63.200 -0.031 0.000 0.773 273 S HN 0.484 nan 8.310 nan 0.000 0.504 274 R N -0.167 120.303 120.500 -0.051 0.000 2.161 274 R HA 0.061 4.391 4.340 -0.017 0.000 0.213 274 R C 1.735 178.012 176.300 -0.040 0.000 1.055 274 R CA 1.106 57.191 56.100 -0.026 0.000 0.996 274 R CB -0.002 30.293 30.300 -0.008 0.000 0.901 274 R HN 0.296 nan 8.270 nan 0.000 0.456 275 E N -0.049 120.067 120.200 -0.141 0.000 2.216 275 E HA -0.061 4.279 4.350 -0.017 0.000 0.192 275 E C 1.805 178.339 176.600 -0.109 0.000 0.988 275 E CA 0.863 57.097 56.400 -0.276 0.000 0.834 275 E CB 0.085 29.362 29.700 -0.705 0.000 0.772 275 E HN 0.218 nan 8.360 nan 0.000 0.479 276 R N 0.566 121.017 120.500 -0.083 0.000 2.066 276 R HA -0.078 4.251 4.340 -0.017 0.000 0.232 276 R C 2.097 178.416 176.300 0.033 0.000 1.131 276 R CA 1.126 57.212 56.100 -0.024 0.000 0.955 276 R CB -0.168 30.098 30.300 -0.056 0.000 0.851 276 R HN 0.168 nan 8.270 nan 0.000 0.432 277 E N 0.801 120.999 120.200 -0.002 0.000 2.021 277 E HA -0.256 4.084 4.350 -0.017 0.000 0.200 277 E C 2.074 178.631 176.600 -0.071 0.000 1.015 277 E CA 1.745 58.129 56.400 -0.027 0.000 0.824 277 E CB -0.223 29.471 29.700 -0.011 0.000 0.762 277 E HN 0.336 nan 8.360 nan 0.000 0.454 278 M N -0.300 119.303 119.600 0.006 0.000 2.088 278 M HA -0.220 4.250 4.480 -0.017 0.000 0.256 278 M C 2.302 178.516 176.300 -0.143 0.000 1.071 278 M CA 1.657 56.950 55.300 -0.010 0.000 1.097 278 M CB -0.504 32.260 32.600 0.273 0.000 1.315 278 M HN 0.055 nan 8.290 nan 0.000 0.406 279 F N 0.484 120.392 119.950 -0.069 0.000 2.102 279 F HA -0.182 4.334 4.527 -0.018 0.000 0.298 279 F C 2.113 177.829 175.800 -0.141 0.000 1.105 279 F CA 1.450 59.402 58.000 -0.079 0.000 1.239 279 F CB -0.307 38.749 39.000 0.093 0.000 0.991 279 F HN -0.199 nan 8.300 nan 0.000 0.474 280 V N 0.315 120.298 119.914 0.114 0.000 2.343 280 V HA -0.302 3.808 4.120 -0.017 0.000 0.247 280 V C 2.449 178.369 176.094 -0.290 0.000 1.051 280 V CA 1.966 64.255 62.300 -0.018 0.000 1.036 280 V CB -0.718 31.089 31.823 -0.026 0.000 0.654 280 V HN 0.352 nan 8.190 nan 0.000 0.451 281 Q N -0.373 119.131 119.800 -0.493 0.000 2.124 281 Q HA -0.238 4.091 4.340 -0.017 0.000 0.202 281 Q C 2.289 177.716 176.000 -0.955 0.000 0.977 281 Q CA 1.665 56.974 55.803 -0.824 0.000 0.850 281 Q CB -0.288 27.638 28.738 -1.353 0.000 0.901 281 Q HN 0.664 nan 8.270 nan 0.000 0.429 282 E N 0.270 119.897 120.200 -0.956 0.000 2.204 282 E HA -0.088 4.251 4.350 -0.017 0.000 0.194 282 E C 1.900 178.287 176.600 -0.354 0.000 0.989 282 E CA 0.541 56.523 56.400 -0.696 0.000 0.824 282 E CB 0.034 29.125 29.700 -1.015 0.000 0.756 282 E HN 0.086 nan 8.360 nan 0.000 0.477 283 V N 0.547 120.344 119.914 -0.194 0.000 2.323 283 V HA -0.196 3.914 4.120 -0.017 0.000 0.244 283 V C 2.307 178.411 176.094 0.018 0.000 1.041 283 V CA 2.060 64.454 62.300 0.157 0.000 1.025 283 V CB -0.440 31.483 31.823 0.166 0.000 0.656 283 V HN 0.223 nan 8.190 nan 0.000 0.451 284 R N -0.186 120.120 120.500 -0.324 0.000 2.081 284 R HA -0.160 4.169 4.340 -0.017 0.000 0.235 284 R C 2.550 178.789 176.300 -0.101 0.000 1.131 284 R CA 1.675 57.530 56.100 -0.409 0.000 0.960 284 R CB -0.396 29.622 30.300 -0.470 0.000 0.856 284 R HN 0.409 nan 8.270 nan 0.000 0.436 285 R N -0.091 120.290 120.500 -0.198 0.000 2.062 285 R HA -0.150 4.180 4.340 -0.017 0.000 0.229 285 R C 2.080 178.183 176.300 -0.328 0.000 1.128 285 R CA 1.410 57.352 56.100 -0.263 0.000 0.960 285 R CB -0.290 29.773 30.300 -0.395 0.000 0.855 285 R HN 0.245 nan 8.270 nan 0.000 0.432 286 Y N 0.101 120.125 120.300 -0.460 0.000 2.263 286 Y HA -0.076 4.463 4.550 -0.018 0.000 0.292 286 Y C -0.226 175.448 175.900 -0.376 0.000 1.130 286 Y CA 0.853 58.623 58.100 -0.550 0.000 1.179 286 Y CB 0.081 38.188 38.460 -0.589 0.000 0.998 286 Y HN -0.035 nan 8.280 nan 0.000 0.532 287 Y N 2.245 122.501 120.300 -0.073 0.000 2.352 287 Y HA 0.344 4.884 4.550 -0.017 0.000 0.326 287 Y C -2.070 173.718 175.900 -0.185 0.000 1.166 287 Y CA -3.570 54.320 58.100 -0.350 0.000 1.182 287 Y CB 0.143 38.144 38.460 -0.766 0.000 1.216 287 Y HN -0.032 nan 8.280 nan 0.000 0.474 288 P HA 0.100 nan 4.420 nan 0.000 0.282 288 P C -0.647 176.509 177.300 -0.241 0.000 1.262 288 P CA 0.435 63.326 63.100 -0.349 0.000 0.773 288 P CB 1.258 32.243 31.700 -1.193 0.000 0.879 289 F N 2.779 122.739 119.950 0.017 0.000 1.892 289 F HA 0.363 4.879 4.527 -0.018 0.000 0.225 289 F C 0.824 176.754 175.800 0.217 0.000 1.263 289 F CA 0.582 58.606 58.000 0.039 0.000 1.272 289 F CB -0.393 38.468 39.000 -0.231 0.000 1.967 289 F HN 0.306 nan 8.300 nan 0.000 0.150 290 G N 2.327 111.393 108.800 0.445 0.000 2.335 290 G HA2 0.379 4.329 3.960 -0.017 0.000 0.268 290 G HA3 0.379 4.329 3.960 -0.017 0.000 0.268 290 G C -2.303 172.702 174.900 0.176 0.000 1.228 290 G CA -0.583 44.618 45.100 0.169 0.000 0.968 290 G HN 0.175 nan 8.290 nan 0.000 0.459 291 P HA 0.085 nan 4.420 nan 0.000 0.206 291 P C 0.037 177.097 177.300 -0.401 0.000 1.209 291 P CA 0.833 63.590 63.100 -0.572 0.000 0.923 291 P CB 0.159 31.010 31.700 -1.415 0.000 0.761 292 F N -3.283 116.650 119.950 -0.030 0.000 3.049 292 F HA 0.668 5.185 4.527 -0.018 0.000 0.329 292 F C -1.206 174.547 175.800 -0.080 0.000 1.208 292 F CA -1.934 56.034 58.000 -0.053 0.000 0.956 292 F CB 0.185 39.145 39.000 -0.066 0.000 1.469 292 F HN -0.348 nan 8.300 nan 0.000 0.516 293 L N 0.281 121.635 121.223 0.219 0.000 2.445 293 L HA 0.756 5.085 4.340 -0.017 0.000 0.262 293 L C -0.284 176.706 176.870 0.200 0.000 0.974 293 L CA -0.979 53.952 54.840 0.151 0.000 0.822 293 L CB 2.270 44.358 42.059 0.048 0.000 1.339 293 L HN 1.021 nan 8.230 nan 0.000 0.409 294 G N 0.814 109.762 108.800 0.247 0.000 2.410 294 G HA2 0.826 4.775 3.960 -0.017 0.000 0.330 294 G HA3 0.826 4.775 3.960 -0.017 0.000 0.330 294 G C -0.983 174.043 174.900 0.209 0.000 1.142 294 G CA -0.062 45.197 45.100 0.265 0.000 0.902 294 G HN 0.814 nan 8.290 nan 0.000 0.491 295 A N 0.150 123.048 122.820 0.130 0.000 2.588 295 A HA 0.787 5.097 4.320 -0.017 0.000 0.290 295 A C -2.028 175.556 177.584 0.000 0.000 1.136 295 A CA -0.567 51.404 52.037 -0.110 0.000 0.681 295 A CB 1.843 20.454 19.000 -0.649 0.000 1.282 295 A HN 1.141 nan 8.150 nan 0.000 0.421 296 L N 0.549 121.794 121.223 0.037 0.000 2.409 296 L HA 0.575 4.904 4.340 -0.017 0.000 0.272 296 L C -0.706 176.258 176.870 0.157 0.000 0.980 296 L CA -0.419 54.461 54.840 0.065 0.000 0.826 296 L CB 1.919 43.974 42.059 -0.008 0.000 1.268 296 L HN 0.529 nan 8.230 nan 0.000 0.407 297 V N 5.306 125.314 119.914 0.157 0.000 2.493 297 V HA 0.019 4.129 4.120 -0.017 0.000 0.292 297 V C 1.423 177.497 176.094 -0.033 0.000 1.016 297 V CA 0.229 62.547 62.300 0.031 0.000 1.097 297 V CB 0.454 32.329 31.823 0.086 0.000 0.947 297 V HN 0.883 nan 8.190 nan 0.000 0.479 298 K N 4.476 124.812 120.400 -0.108 0.000 2.098 298 K HA -0.012 4.297 4.320 -0.017 0.000 0.203 298 K C 0.616 177.186 176.600 -0.050 0.000 1.051 298 K CA 0.892 57.134 56.287 -0.075 0.000 0.957 298 K CB 0.281 32.722 32.500 -0.099 0.000 0.738 298 K HN 0.786 nan 8.250 nan 0.000 0.447 299 K N 0.191 120.564 120.400 -0.044 0.000 2.512 299 K HA 0.313 4.622 4.320 -0.017 0.000 0.263 299 K C -1.714 174.955 176.600 0.113 0.000 0.966 299 K CA -0.928 55.365 56.287 0.011 0.000 0.851 299 K CB 1.422 33.912 32.500 -0.016 0.000 1.395 299 K HN -0.177 nan 8.250 nan 0.000 0.440 300 D N 1.355 121.807 120.400 0.087 0.000 2.390 300 D HA 0.380 5.009 4.640 -0.017 0.000 0.249 300 D C -0.529 175.886 176.300 0.191 0.000 1.144 300 D CA 0.296 54.348 54.000 0.086 0.000 0.880 300 D CB 0.061 40.881 40.800 0.033 0.000 1.182 300 D HN 0.508 nan 8.370 nan 0.000 0.451 301 F N -0.756 119.195 119.950 0.003 0.000 2.831 301 F HA 0.732 5.248 4.527 -0.018 0.000 0.318 301 F C -1.894 173.967 175.800 0.101 0.000 1.174 301 F CA -1.175 56.824 58.000 -0.002 0.000 0.918 301 F CB 0.704 39.640 39.000 -0.107 0.000 1.364 301 F HN 0.122 nan 8.300 nan 0.000 0.475 302 V N 0.377 120.432 119.914 0.234 0.000 2.962 302 V HA 0.656 4.765 4.120 -0.017 0.000 0.313 302 V C -1.878 174.478 176.094 0.435 0.000 1.099 302 V CA -0.694 61.728 62.300 0.204 0.000 0.971 302 V CB 2.043 33.958 31.823 0.153 0.000 1.028 302 V HN 1.006 nan 8.190 nan 0.000 0.430 303 W N 2.828 124.240 121.300 0.185 0.000 3.707 303 W HA 0.426 5.076 4.660 -0.017 0.000 0.294 303 W C -0.055 176.585 176.519 0.202 0.000 1.248 303 W CA -0.524 56.934 57.345 0.189 0.000 1.217 303 W CB 1.201 30.769 29.460 0.179 0.000 1.306 303 W HN 0.770 nan 8.180 nan 0.000 0.532 304 N N 4.856 123.119 118.700 -0.727 0.000 2.686 304 N HA -0.356 4.373 4.740 -0.017 0.000 0.261 304 N C 0.302 175.670 175.510 -0.236 0.000 1.001 304 N CA 1.334 53.962 53.050 -0.702 0.000 0.764 304 N CB -0.661 37.044 38.487 -1.304 0.000 0.898 304 N HN 0.709 nan 8.380 nan 0.000 0.544 305 N N -0.961 117.676 118.700 -0.106 0.000 2.714 305 N HA -0.216 4.514 4.740 -0.017 0.000 0.250 305 N C -1.213 174.318 175.510 0.035 0.000 1.117 305 N CA 1.453 54.489 53.050 -0.024 0.000 0.719 305 N CB -1.162 37.299 38.487 -0.043 0.000 1.081 305 N HN 0.533 nan 8.380 nan 0.000 0.557 306 C N 0.265 119.638 119.300 0.122 0.000 2.609 306 C HA 0.614 5.064 4.460 -0.017 0.000 0.313 306 C C -0.314 174.822 174.990 0.243 0.000 1.175 306 C CA -0.911 58.206 59.018 0.164 0.000 1.434 306 C CB 1.500 29.376 27.740 0.227 0.000 2.005 306 C HN 0.413 nan 8.230 nan 0.000 0.471 307 E N 3.529 123.781 120.200 0.087 0.000 2.156 307 E HA 0.556 4.895 4.350 -0.017 0.000 0.279 307 E C -1.514 175.060 176.600 -0.044 0.000 0.965 307 E CA -0.421 56.013 56.400 0.056 0.000 0.789 307 E CB 0.715 30.415 29.700 0.000 0.000 1.098 307 E HN 0.569 nan 8.360 nan 0.000 0.397 308 F N 3.907 123.538 119.950 -0.532 0.000 2.385 308 F HA 0.300 4.816 4.527 -0.018 0.000 0.360 308 F C 0.654 176.232 175.800 -0.369 0.000 1.122 308 F CA -0.780 56.897 58.000 -0.538 0.000 1.090 308 F CB 1.040 39.422 39.000 -1.031 0.000 1.150 308 F HN 0.253 nan 8.300 nan 0.000 0.472 309 K N 3.736 124.090 120.400 -0.076 0.000 2.218 309 K HA 0.172 4.481 4.320 -0.017 0.000 0.276 309 K C 0.139 176.728 176.600 -0.018 0.000 1.022 309 K CA -0.665 55.595 56.287 -0.045 0.000 0.946 309 K CB 0.826 33.297 32.500 -0.048 0.000 1.000 309 K HN 0.656 nan 8.250 nan 0.000 0.468 310 K N 1.899 122.295 120.400 -0.007 0.000 2.491 310 K HA -0.082 4.227 4.320 -0.017 0.000 0.279 310 K C 0.572 177.162 176.600 -0.016 0.000 1.026 310 K CA 1.473 57.758 56.287 -0.003 0.000 1.070 310 K CB -0.122 32.376 32.500 -0.003 0.000 0.887 310 K HN 0.869 nan 8.250 nan 0.000 0.481 311 G N 2.572 111.362 108.800 -0.016 0.000 2.199 311 G HA2 -0.245 3.705 3.960 -0.017 0.000 0.254 311 G HA3 -0.245 3.705 3.960 -0.017 0.000 0.254 311 G C 0.174 175.040 174.900 -0.056 0.000 0.982 311 G CA 0.351 45.432 45.100 -0.031 0.000 0.632 311 G HN 0.674 nan 8.290 nan 0.000 0.529 312 T N 1.865 116.390 114.554 -0.049 0.000 2.918 312 T HA 0.507 4.846 4.350 -0.017 0.000 0.302 312 T C 0.635 175.254 174.700 -0.135 0.000 1.045 312 T CA 0.629 62.668 62.100 -0.101 0.000 1.114 312 T CB 1.376 70.192 68.868 -0.086 0.000 0.965 312 T HN 0.309 nan 8.240 nan 0.000 0.540 313 S N 1.787 117.266 115.700 -0.368 0.000 2.525 313 S HA 0.567 5.026 4.470 -0.017 0.000 0.278 313 S C 0.016 174.346 174.600 -0.451 0.000 1.234 313 S CA -0.893 56.923 58.200 -0.640 0.000 1.058 313 S CB 0.897 63.154 63.200 -1.571 0.000 0.983 313 S HN 0.680 nan 8.310 nan 0.000 0.495 314 V N 1.923 121.835 119.914 -0.003 0.000 2.789 314 V HA 0.691 4.800 4.120 -0.017 0.000 0.311 314 V C -1.074 175.278 176.094 0.430 0.000 1.073 314 V CA -0.907 61.562 62.300 0.282 0.000 0.921 314 V CB 1.470 33.486 31.823 0.322 0.000 1.009 314 V HN 0.758 nan 8.190 nan 0.000 0.426 315 L N 4.326 125.717 121.223 0.281 0.000 2.341 315 L HA 0.602 4.931 4.340 -0.017 0.000 0.278 315 L C -0.866 175.937 176.870 -0.112 0.000 1.005 315 L CA -0.793 54.067 54.840 0.033 0.000 0.818 315 L CB 1.890 43.783 42.059 -0.277 0.000 1.259 315 L HN 0.718 nan 8.230 nan 0.000 0.418 316 L N 3.203 124.220 121.223 -0.344 0.000 2.272 316 L HA 0.351 4.681 4.340 -0.017 0.000 0.289 316 L C -0.304 176.472 176.870 -0.157 0.000 1.032 316 L CA -0.105 54.434 54.840 -0.502 0.000 0.810 316 L CB 1.249 42.469 42.059 -1.398 0.000 1.205 316 L HN 0.412 nan 8.230 nan 0.000 0.422 317 D N 3.900 124.288 120.400 -0.019 0.000 2.359 317 D HA 0.080 4.710 4.640 -0.017 0.000 0.250 317 D C 0.737 177.119 176.300 0.137 0.000 1.264 317 D CA 0.055 54.136 54.000 0.134 0.000 0.911 317 D CB 0.748 41.643 40.800 0.158 0.000 1.056 317 D HN 0.535 nan 8.370 nan 0.000 0.499 318 L N 4.692 126.018 121.223 0.172 0.000 2.102 318 L HA -0.006 4.323 4.340 -0.017 0.000 0.202 318 L C 1.675 178.689 176.870 0.240 0.000 1.076 318 L CA 1.143 56.088 54.840 0.175 0.000 0.761 318 L CB -0.995 41.159 42.059 0.157 0.000 0.921 318 L HN 0.581 nan 8.230 nan 0.000 0.444 319 Y N 0.179 120.577 120.300 0.165 0.000 2.070 319 Y HA -0.171 4.369 4.550 -0.017 0.000 0.279 319 Y C 2.361 178.361 175.900 0.168 0.000 1.134 319 Y CA 1.937 60.135 58.100 0.163 0.000 1.113 319 Y CB -0.896 37.660 38.460 0.161 0.000 0.981 319 Y HN 0.166 nan 8.280 nan 0.000 0.487 320 G N -0.937 108.029 108.800 0.278 0.000 2.529 320 G HA2 -0.348 3.601 3.960 -0.017 0.000 0.219 320 G HA3 -0.348 3.601 3.960 -0.017 0.000 0.219 320 G C 1.664 176.658 174.900 0.157 0.000 1.177 320 G CA 1.838 47.046 45.100 0.180 0.000 0.773 320 G HN 0.455 nan 8.290 nan 0.000 0.573 321 T N 1.527 116.184 114.554 0.173 0.000 2.665 321 T HA -0.174 4.165 4.350 -0.017 0.000 0.268 321 T C 2.284 177.114 174.700 0.217 0.000 1.035 321 T CA 1.398 63.613 62.100 0.191 0.000 1.151 321 T CB -0.336 68.644 68.868 0.187 0.000 0.862 321 T HN 0.265 nan 8.240 nan 0.000 0.438 322 N N 0.757 119.539 118.700 0.138 0.000 2.364 322 N HA -0.088 4.642 4.740 -0.017 0.000 0.183 322 N C 0.710 176.061 175.510 -0.265 0.000 1.022 322 N CA 0.991 54.018 53.050 -0.038 0.000 0.883 322 N CB -0.205 38.219 38.487 -0.104 0.000 0.965 322 N HN 0.539 nan 8.380 nan 0.000 0.438 323 H N -0.850 118.103 119.070 -0.195 0.000 2.469 323 H HA 0.218 4.764 4.556 -0.018 0.000 0.286 323 H C -0.792 174.553 175.328 0.029 0.000 1.106 323 H CA -0.704 55.242 56.048 -0.171 0.000 1.055 323 H CB -0.016 29.554 29.762 -0.320 0.000 1.618 323 H HN 0.001 nan 8.280 nan 0.000 0.559 324 D N 1.841 122.388 120.400 0.245 0.000 2.316 324 D HA 0.049 4.678 4.640 -0.017 0.000 0.245 324 D C -1.263 175.157 176.300 0.201 0.000 1.171 324 D CA -2.434 51.694 54.000 0.212 0.000 0.856 324 D CB 1.566 42.485 40.800 0.198 0.000 1.090 324 D HN 0.106 nan 8.370 nan 0.000 0.476 325 P HA -0.200 nan 4.420 nan 0.000 0.217 325 P C 0.907 178.227 177.300 0.033 0.000 1.148 325 P CA 1.004 64.149 63.100 0.074 0.000 0.828 325 P CB 0.284 32.006 31.700 0.037 0.000 0.783 326 R N -0.804 119.713 120.500 0.029 0.000 2.285 326 R HA 0.058 4.387 4.340 -0.017 0.000 0.213 326 R C 2.182 178.436 176.300 -0.077 0.000 1.068 326 R CA 0.774 56.868 56.100 -0.011 0.000 1.004 326 R CB -0.392 29.916 30.300 0.013 0.000 0.873 326 R HN 0.320 nan 8.270 nan 0.000 0.467 327 L N -2.640 118.518 121.223 -0.108 0.000 2.685 327 L HA 0.230 4.560 4.340 -0.017 0.000 0.235 327 L C -0.274 176.149 176.870 -0.745 0.000 1.070 327 L CA -0.184 54.413 54.840 -0.405 0.000 0.888 327 L CB 0.380 42.221 42.059 -0.364 0.000 1.203 327 L HN 0.055 nan 8.230 nan 0.000 0.499 328 W N -0.193 121.065 121.300 -0.071 0.000 2.998 328 W HA 0.377 5.027 4.660 -0.017 0.000 0.335 328 W C -0.808 175.674 176.519 -0.063 0.000 1.110 328 W CA -0.758 56.529 57.345 -0.098 0.000 1.230 328 W CB 1.086 30.467 29.460 -0.133 0.000 1.405 328 W HN -0.258 nan 8.180 nan 0.000 0.493 329 D N 0.527 121.025 120.400 0.163 0.000 2.256 329 D HA 0.202 4.831 4.640 -0.017 0.000 0.250 329 D C 0.124 176.558 176.300 0.224 0.000 1.093 329 D CA 0.257 54.337 54.000 0.133 0.000 0.882 329 D CB 0.477 41.371 40.800 0.157 0.000 1.185 329 D HN 0.542 nan 8.370 nan 0.000 0.437 330 H N 1.356 120.462 119.070 0.061 0.000 2.626 330 H HA -0.131 4.415 4.556 -0.018 0.000 0.317 330 H C -1.760 173.602 175.328 0.057 0.000 1.140 330 H CA 0.725 56.808 56.048 0.058 0.000 1.134 330 H CB -1.021 28.766 29.762 0.042 0.000 1.486 330 H HN 0.531 nan 8.280 nan 0.000 0.417 331 P HA -0.146 nan 4.420 nan 0.000 0.226 331 P C 0.559 177.866 177.300 0.011 0.000 1.146 331 P CA 1.292 64.408 63.100 0.026 0.000 0.773 331 P CB 0.354 32.088 31.700 0.056 0.000 0.772 332 D N -0.599 119.893 120.400 0.153 0.000 2.325 332 D HA 0.075 4.705 4.640 -0.017 0.000 0.225 332 D C 0.344 176.879 176.300 0.392 0.000 1.096 332 D CA 0.442 54.598 54.000 0.260 0.000 0.844 332 D CB 0.093 41.019 40.800 0.211 0.000 0.925 332 D HN 0.151 nan 8.370 nan 0.000 0.513 333 E N -0.020 120.346 120.200 0.277 0.000 2.238 333 E HA 0.171 4.511 4.350 -0.017 0.000 0.267 333 E C -0.872 175.662 176.600 -0.110 0.000 0.887 333 E CA -0.885 55.607 56.400 0.153 0.000 0.769 333 E CB 1.697 31.474 29.700 0.128 0.000 1.187 333 E HN -0.018 nan 8.360 nan 0.000 0.416 334 F N 4.141 123.749 119.950 -0.570 0.000 2.462 334 F HA 0.176 4.693 4.527 -0.017 0.000 0.354 334 F C -0.016 175.444 175.800 -0.567 0.000 1.192 334 F CA -0.357 57.092 58.000 -0.918 0.000 1.173 334 F CB 0.123 38.273 39.000 -1.416 0.000 1.402 334 F HN 0.004 nan 8.300 nan 0.000 0.595 335 R N 6.659 126.748 120.500 -0.684 0.000 2.477 335 R HA 0.234 4.563 4.340 -0.017 0.000 0.285 335 R C -2.154 173.820 176.300 -0.544 0.000 1.415 335 R CA -1.919 53.888 56.100 -0.488 0.000 1.446 335 R CB 0.480 30.655 30.300 -0.209 0.000 1.110 335 R HN 0.337 nan 8.270 nan 0.000 0.590 336 P HA -0.243 nan 4.420 nan 0.000 0.217 336 P C 1.255 178.516 177.300 -0.064 0.000 1.151 336 P CA 1.300 64.079 63.100 -0.535 0.000 0.849 336 P CB 0.365 31.712 31.700 -0.589 0.000 0.787 337 E N 1.166 121.291 120.200 -0.124 0.000 2.265 337 E HA -0.228 4.111 4.350 -0.017 0.000 0.196 337 E C 1.735 178.372 176.600 0.062 0.000 0.996 337 E CA 1.102 57.509 56.400 0.012 0.000 0.832 337 E CB -0.992 28.656 29.700 -0.087 0.000 0.756 337 E HN 0.404 nan 8.360 nan 0.000 0.491 338 R N -0.128 120.381 120.500 0.015 0.000 2.303 338 R HA -0.053 4.277 4.340 -0.017 0.000 0.225 338 R C 1.032 177.285 176.300 -0.079 0.000 1.114 338 R CA 1.184 57.268 56.100 -0.027 0.000 1.007 338 R CB -0.637 29.627 30.300 -0.060 0.000 0.861 338 R HN 0.085 nan 8.270 nan 0.000 0.471 339 F N 0.891 120.864 119.950 0.039 0.000 2.695 339 F HA 0.401 4.917 4.527 -0.017 0.000 0.303 339 F C 0.977 176.824 175.800 0.078 0.000 1.091 339 F CA -0.437 57.608 58.000 0.075 0.000 1.300 339 F CB 0.475 39.495 39.000 0.034 0.000 1.071 339 F HN 0.053 nan 8.300 nan 0.000 0.578 340 A N 1.455 124.401 122.820 0.210 0.000 3.132 340 A HA -0.093 4.216 4.320 -0.017 0.000 0.288 340 A C 1.044 178.702 177.584 0.124 0.000 1.959 340 A CA 0.501 52.642 52.037 0.174 0.000 1.374 340 A CB -1.088 17.994 19.000 0.136 0.000 0.918 340 A HN 0.361 nan 8.150 nan 0.000 0.594 341 E N 0.005 120.287 120.200 0.137 0.000 2.222 341 E HA -0.223 4.117 4.350 -0.017 0.000 0.189 341 E C 0.310 176.950 176.600 0.066 0.000 1.415 341 E CA 1.208 57.666 56.400 0.097 0.000 0.689 341 E CB -0.954 28.790 29.700 0.073 0.000 1.107 341 E HN 0.988 nan 8.360 nan 0.000 0.350 342 R N 0.164 120.705 120.500 0.068 0.000 2.543 342 R HA 0.497 4.827 4.340 -0.017 0.000 0.268 342 R C 0.517 176.817 176.300 0.001 0.000 1.067 342 R CA -0.702 55.400 56.100 0.003 0.000 1.142 342 R CB 0.761 31.025 30.300 -0.061 0.000 1.110 342 R HN 0.030 nan 8.270 nan 0.000 0.549 343 E N 0.641 120.819 120.200 -0.037 0.000 2.447 343 E HA -0.116 4.224 4.350 -0.017 0.000 0.259 343 E C -0.881 175.707 176.600 -0.021 0.000 1.196 343 E CA 0.223 56.605 56.400 -0.030 0.000 0.995 343 E CB 0.570 30.239 29.700 -0.052 0.000 0.974 343 E HN 0.578 nan 8.360 nan 0.000 0.465 344 E N 1.654 121.846 120.200 -0.014 0.000 2.179 344 E HA 0.258 4.597 4.350 -0.017 0.000 0.275 344 E C -1.167 175.415 176.600 -0.031 0.000 0.945 344 E CA -0.692 55.700 56.400 -0.012 0.000 0.792 344 E CB 0.765 30.461 29.700 -0.007 0.000 1.125 344 E HN 0.414 nan 8.360 nan 0.000 0.397 345 N N 4.790 123.463 118.700 -0.045 0.000 2.493 345 N HA 0.120 4.849 4.740 -0.017 0.000 0.279 345 N C -0.628 174.799 175.510 -0.138 0.000 1.082 345 N CA -0.361 52.655 53.050 -0.056 0.000 0.963 345 N CB 1.315 39.790 38.487 -0.020 0.000 1.627 345 N HN 0.576 nan 8.380 nan 0.000 0.499 346 L N 2.840 123.861 121.223 -0.338 0.000 2.672 346 L HA 0.292 4.621 4.340 -0.017 0.000 0.236 346 L C 0.040 176.334 176.870 -0.961 0.000 1.186 346 L CA 0.334 54.770 54.840 -0.675 0.000 0.977 346 L CB -0.473 40.996 42.059 -0.984 0.000 1.203 346 L HN 0.434 nan 8.230 nan 0.000 0.448 347 F N -1.605 118.320 119.950 -0.042 0.000 2.975 347 F HA 0.035 4.551 4.527 -0.018 0.000 0.366 347 F C 1.844 177.677 175.800 0.055 0.000 1.071 347 F CA -0.529 57.472 58.000 0.002 0.000 1.102 347 F CB 0.223 39.231 39.000 0.014 0.000 1.176 347 F HN 0.075 nan 8.300 nan 0.000 0.545 348 D N 0.518 121.030 120.400 0.187 0.000 2.216 348 D HA -0.007 4.623 4.640 -0.017 0.000 0.208 348 D C 0.889 177.409 176.300 0.368 0.000 0.960 348 D CA 0.723 54.833 54.000 0.184 0.000 0.861 348 D CB 0.331 41.113 40.800 -0.030 0.000 0.985 348 D HN 0.284 nan 8.370 nan 0.000 0.493 349 M N 1.421 121.218 119.600 0.327 0.000 2.078 349 M HA 0.338 4.807 4.480 -0.017 0.000 0.320 349 M C -0.693 175.701 176.300 0.156 0.000 0.969 349 M CA -0.567 54.927 55.300 0.323 0.000 0.929 349 M CB 1.386 34.224 32.600 0.397 0.000 1.504 349 M HN 0.062 nan 8.290 nan 0.000 0.419 350 I N 2.626 123.280 120.570 0.140 0.000 3.326 350 I HA 0.398 4.557 4.170 -0.017 0.000 0.336 350 I C -1.891 174.293 176.117 0.111 0.000 1.543 350 I CA -1.353 60.009 61.300 0.103 0.000 1.013 350 I CB -0.006 38.078 38.000 0.139 0.000 1.468 350 I HN 0.368 nan 8.210 nan 0.000 0.515 351 P HA -0.201 nan 4.420 nan 0.000 0.216 351 P C 0.844 178.225 177.300 0.134 0.000 1.150 351 P CA 1.634 64.823 63.100 0.149 0.000 0.843 351 P CB 0.224 32.015 31.700 0.152 0.000 0.787 352 Q N -0.333 119.520 119.800 0.088 0.000 2.241 352 Q HA 0.456 4.786 4.340 -0.017 0.000 0.296 352 Q C 0.358 176.390 176.000 0.052 0.000 0.889 352 Q CA -0.158 55.678 55.803 0.055 0.000 1.089 352 Q CB 0.627 29.388 28.738 0.039 0.000 1.195 352 Q HN 0.227 nan 8.270 nan 0.000 0.451 353 G N -0.703 108.150 108.800 0.089 0.000 2.603 353 G HA2 0.060 4.009 3.960 -0.017 0.000 0.686 353 G HA3 0.060 4.009 3.960 -0.017 0.000 0.686 353 G C -0.495 174.389 174.900 -0.028 0.000 1.286 353 G CA -0.748 44.430 45.100 0.130 0.000 0.871 353 G HN 0.379 nan 8.290 nan 0.000 0.568 354 G N -1.568 107.056 108.800 -0.293 0.000 2.730 354 G HA2 1.050 5.000 3.960 -0.017 0.000 0.289 354 G HA3 1.050 5.000 3.960 -0.017 0.000 0.289 354 G C 0.746 174.903 174.900 -1.237 0.000 1.341 354 G CA 1.105 45.791 45.100 -0.690 0.000 0.932 354 G HN 2.752 nan 8.290 nan 0.000 0.481 355 G N -0.938 107.185 108.800 -1.128 0.000 2.642 355 G HA2 -0.138 3.811 3.960 -0.017 0.000 0.231 355 G HA3 -0.138 3.811 3.960 -0.017 0.000 0.231 355 G C -0.433 174.092 174.900 -0.624 0.000 1.338 355 G CA -0.400 44.181 45.100 -0.865 0.000 0.883 355 G HN 0.983 nan 8.290 nan 0.000 0.570 356 H N 0.958 119.908 119.070 -0.200 0.000 2.723 356 H HA 0.456 5.002 4.556 -0.018 0.000 0.294 356 H C 1.565 176.852 175.328 -0.069 0.000 1.079 356 H CA 0.409 56.388 56.048 -0.116 0.000 1.411 356 H CB 1.083 30.817 29.762 -0.047 0.000 1.439 356 H HN 0.910 nan 8.280 nan 0.000 0.474 357 A N 3.914 126.745 122.820 0.019 0.000 2.139 357 A HA -0.185 4.125 4.320 -0.017 0.000 0.221 357 A C 2.038 179.645 177.584 0.039 0.000 1.159 357 A CA 1.241 53.289 52.037 0.019 0.000 0.662 357 A CB -0.059 18.942 19.000 0.001 0.000 0.796 357 A HN 0.632 nan 8.150 nan 0.000 0.463 358 E N 0.283 120.524 120.200 0.068 0.000 2.046 358 E HA -0.102 4.238 4.350 -0.017 0.000 0.190 358 E C 0.644 177.268 176.600 0.040 0.000 0.982 358 E CA 1.207 57.629 56.400 0.037 0.000 0.800 358 E CB -0.169 29.541 29.700 0.017 0.000 0.756 358 E HN 0.785 nan 8.360 nan 0.000 0.449 359 K N 0.354 120.807 120.400 0.089 0.000 3.010 359 K HA 0.494 4.803 4.320 -0.017 0.000 0.211 359 K C 0.264 176.953 176.600 0.149 0.000 1.146 359 K CA -0.223 56.123 56.287 0.097 0.000 1.070 359 K CB 1.398 33.945 32.500 0.078 0.000 0.908 359 K HN 0.030 nan 8.250 nan 0.000 0.463 360 G N -0.303 108.585 108.800 0.147 0.000 2.489 360 G HA2 0.097 4.046 3.960 -0.017 0.000 0.305 360 G HA3 0.097 4.046 3.960 -0.017 0.000 0.305 360 G C -0.789 174.203 174.900 0.153 0.000 1.311 360 G CA -0.662 44.558 45.100 0.200 0.000 0.813 360 G HN 0.284 nan 8.290 nan 0.000 0.480 361 H N 0.140 119.383 119.070 0.288 0.000 2.529 361 H HA 0.180 4.725 4.556 -0.018 0.000 0.277 361 H C 1.361 176.792 175.328 0.171 0.000 1.004 361 H CA -0.144 56.024 56.048 0.201 0.000 1.167 361 H CB 0.549 30.337 29.762 0.044 0.000 1.445 361 H HN 0.253 nan 8.280 nan 0.000 0.554 362 R N 1.207 121.851 120.500 0.240 0.000 2.583 362 R HA -0.066 4.263 4.340 -0.017 0.000 0.274 362 R C -0.093 176.230 176.300 0.039 0.000 0.998 362 R CA 0.032 56.184 56.100 0.086 0.000 1.081 362 R CB 0.231 30.482 30.300 -0.081 0.000 0.940 362 R HN 0.228 nan 8.270 nan 0.000 0.413 363 C N 7.845 127.157 119.300 0.020 0.000 2.517 363 C HA 0.084 4.533 4.460 -0.017 0.000 0.403 363 C C -0.812 174.167 174.990 -0.019 0.000 1.467 363 C CA -1.409 57.602 59.018 -0.012 0.000 1.542 363 C CB 0.081 27.817 27.740 -0.008 0.000 2.482 363 C HN 0.687 nan 8.230 nan 0.000 0.610 364 P HA 0.153 nan 4.420 nan 0.000 0.255 364 P C 0.878 178.188 177.300 0.017 0.000 1.248 364 P CA 0.915 64.015 63.100 0.000 0.000 0.807 364 P CB 0.123 31.828 31.700 0.008 0.000 1.150 365 G N -0.003 108.799 108.800 0.004 0.000 3.434 365 G HA2 0.023 3.972 3.960 -0.017 0.000 0.258 365 G HA3 0.023 3.972 3.960 -0.017 0.000 0.258 365 G C 1.151 176.051 174.900 0.001 0.000 1.128 365 G CA -0.111 44.993 45.100 0.006 0.000 0.792 365 G HN 0.156 nan 8.290 nan 0.000 0.539 366 E N 0.523 120.724 120.200 0.001 0.000 2.051 366 E HA -0.093 4.246 4.350 -0.017 0.000 0.192 366 E C 2.684 179.281 176.600 -0.004 0.000 0.991 366 E CA 0.887 57.286 56.400 -0.001 0.000 0.799 366 E CB -0.098 29.596 29.700 -0.010 0.000 0.748 366 E HN 0.374 nan 8.360 nan 0.000 0.449 367 G N 1.915 110.714 108.800 -0.002 0.000 2.476 367 G HA2 -0.265 3.684 3.960 -0.017 0.000 0.218 367 G HA3 -0.265 3.684 3.960 -0.017 0.000 0.218 367 G C 1.546 176.440 174.900 -0.010 0.000 1.164 367 G CA 0.801 45.900 45.100 -0.001 0.000 0.768 367 G HN 0.094 nan 8.290 nan 0.000 0.560 368 I N 1.353 121.912 120.570 -0.019 0.000 2.118 368 I HA -0.191 3.968 4.170 -0.017 0.000 0.241 368 I C 2.963 179.065 176.117 -0.025 0.000 1.070 368 I CA 1.989 63.258 61.300 -0.053 0.000 1.327 368 I CB -1.711 36.234 38.000 -0.091 0.000 1.034 368 I HN 0.146 nan 8.210 nan 0.000 0.405 369 T N 1.996 116.553 114.554 0.005 0.000 2.635 369 T HA -0.161 4.179 4.350 -0.017 0.000 0.267 369 T C 2.042 176.763 174.700 0.034 0.000 1.040 369 T CA 1.461 63.591 62.100 0.051 0.000 1.156 369 T CB -0.204 68.713 68.868 0.081 0.000 0.863 369 T HN 0.093 nan 8.240 nan 0.000 0.430 370 I N 1.162 121.732 120.570 -0.001 0.000 2.099 370 I HA -0.110 4.049 4.170 -0.017 0.000 0.239 370 I C 2.623 178.740 176.117 0.000 0.000 1.066 370 I CA 1.498 62.787 61.300 -0.018 0.000 1.324 370 I CB -1.436 36.544 38.000 -0.032 0.000 1.037 370 I HN 0.173 nan 8.210 nan 0.000 0.401 371 E N 0.871 121.070 120.200 -0.002 0.000 2.097 371 E HA -0.166 4.174 4.350 -0.017 0.000 0.196 371 E C 2.363 178.975 176.600 0.020 0.000 1.000 371 E CA 1.066 57.466 56.400 0.001 0.000 0.804 371 E CB -0.481 29.213 29.700 -0.011 0.000 0.740 371 E HN 0.276 nan 8.360 nan 0.000 0.454 372 V N 0.218 120.147 119.914 0.026 0.000 2.295 372 V HA -0.279 3.830 4.120 -0.017 0.000 0.246 372 V C 2.286 178.451 176.094 0.117 0.000 1.049 372 V CA 1.984 64.324 62.300 0.067 0.000 1.024 372 V CB -0.430 31.429 31.823 0.060 0.000 0.648 372 V HN 0.317 nan 8.190 nan 0.000 0.447 373 M N -0.839 118.823 119.600 0.104 0.000 2.159 373 M HA -0.197 4.273 4.480 -0.017 0.000 0.263 373 M C 2.265 178.610 176.300 0.075 0.000 1.063 373 M CA 1.818 57.185 55.300 0.113 0.000 1.110 373 M CB -0.419 32.230 32.600 0.083 0.000 1.374 373 M HN 0.248 nan 8.290 nan 0.000 0.411 374 K N 0.233 120.659 120.400 0.043 0.000 2.001 374 K HA -0.086 4.223 4.320 -0.017 0.000 0.208 374 K C 2.152 178.756 176.600 0.008 0.000 1.048 374 K CA 1.517 57.811 56.287 0.012 0.000 0.932 374 K CB -0.367 32.130 32.500 -0.004 0.000 0.715 374 K HN 0.282 nan 8.250 nan 0.000 0.437 375 A N 1.044 123.888 122.820 0.040 0.000 1.940 375 A HA -0.218 4.091 4.320 -0.017 0.000 0.219 375 A C 2.252 179.895 177.584 0.098 0.000 1.176 375 A CA 2.229 54.306 52.037 0.065 0.000 0.631 375 A CB -0.695 18.363 19.000 0.098 0.000 0.814 375 A HN 0.296 nan 8.150 nan 0.000 0.446 376 S N -1.139 114.635 115.700 0.125 0.000 2.387 376 S HA -0.084 4.375 4.470 -0.017 0.000 0.226 376 S C 1.866 176.434 174.600 -0.054 0.000 1.026 376 S CA 1.309 59.532 58.200 0.038 0.000 0.972 376 S CB -0.370 62.945 63.200 0.191 0.000 0.814 376 S HN 0.478 nan 8.310 nan 0.000 0.477 377 L N 2.144 123.348 121.223 -0.032 0.000 2.109 377 L HA 0.027 4.357 4.340 -0.017 0.000 0.207 377 L C 2.053 178.841 176.870 -0.137 0.000 1.086 377 L CA 2.057 56.840 54.840 -0.094 0.000 0.760 377 L CB -0.892 41.097 42.059 -0.116 0.000 0.910 377 L HN 0.302 nan 8.230 nan 0.000 0.437 378 D N -1.009 119.306 120.400 -0.141 0.000 2.149 378 D HA -0.297 4.332 4.640 -0.017 0.000 0.198 378 D C 2.060 178.241 176.300 -0.197 0.000 0.990 378 D CA 1.379 55.215 54.000 -0.274 0.000 0.839 378 D CB -0.051 40.620 40.800 -0.215 0.000 0.948 378 D HN 0.439 nan 8.370 nan 0.000 0.460 379 F N 1.081 120.905 119.950 -0.210 0.000 2.163 379 F HA 0.004 4.520 4.527 -0.017 0.000 0.297 379 F C 2.161 177.895 175.800 -0.111 0.000 1.094 379 F CA 0.791 58.685 58.000 -0.177 0.000 1.290 379 F CB -0.407 38.395 39.000 -0.331 0.000 1.017 379 F HN -0.111 nan 8.300 nan 0.000 0.483 380 L N -0.583 120.436 121.223 -0.340 0.000 2.275 380 L HA -0.134 4.196 4.340 -0.017 0.000 0.215 380 L C 2.028 178.834 176.870 -0.106 0.000 1.119 380 L CA 0.487 55.175 54.840 -0.254 0.000 0.790 380 L CB -0.418 41.613 42.059 -0.047 0.000 0.919 380 L HN 0.094 nan 8.230 nan 0.000 0.443 381 V N -1.504 118.357 119.914 -0.088 0.000 2.436 381 V HA -0.140 3.969 4.120 -0.017 0.000 0.240 381 V C 2.091 178.260 176.094 0.125 0.000 1.040 381 V CA 1.160 63.482 62.300 0.037 0.000 1.052 381 V CB -0.462 31.430 31.823 0.116 0.000 0.707 381 V HN 0.421 nan 8.190 nan 0.000 0.469 382 H N -0.745 118.256 119.070 -0.116 0.000 2.370 382 H HA -0.046 4.500 4.556 -0.017 0.000 0.304 382 H C 2.273 177.547 175.328 -0.089 0.000 1.055 382 H CA 1.161 57.160 56.048 -0.083 0.000 1.373 382 H CB 0.410 30.142 29.762 -0.048 0.000 1.423 382 H HN 0.275 nan 8.280 nan 0.000 0.533 383 Q N 1.442 121.242 119.800 -0.000 0.000 2.224 383 Q HA 0.039 4.368 4.340 -0.017 0.000 0.203 383 Q C 0.444 176.389 176.000 -0.093 0.000 0.970 383 Q CA 0.823 56.602 55.803 -0.040 0.000 0.865 383 Q CB 0.246 28.995 28.738 0.019 0.000 0.922 383 Q HN 0.552 nan 8.270 nan 0.000 0.445 384 I N -4.507 115.954 120.570 -0.182 0.000 3.279 384 I HA 0.602 4.761 4.170 -0.017 0.000 0.315 384 I C -1.164 174.958 176.117 0.007 0.000 1.187 384 I CA -1.213 60.056 61.300 -0.051 0.000 0.953 384 I CB 2.163 40.153 38.000 -0.017 0.000 1.279 384 I HN -0.360 nan 8.210 nan 0.000 0.465 385 E N 1.693 121.934 120.200 0.069 0.000 2.293 385 E HA 0.572 4.911 4.350 -0.017 0.000 0.270 385 E C -1.876 174.774 176.600 0.083 0.000 0.879 385 E CA -0.414 55.967 56.400 -0.031 0.000 0.756 385 E CB 2.609 32.282 29.700 -0.045 0.000 1.208 385 E HN 0.714 nan 8.360 nan 0.000 0.428 386 Y N -1.457 118.836 120.300 -0.013 0.000 2.713 386 Y HA 0.559 5.099 4.550 -0.016 0.000 0.335 386 Y C -1.283 174.595 175.900 -0.037 0.000 1.222 386 Y CA -1.173 56.911 58.100 -0.026 0.000 1.061 386 Y CB 1.144 39.581 38.460 -0.038 0.000 1.314 386 Y HN 0.096 nan 8.280 nan 0.000 0.453 387 D N 0.827 121.299 120.400 0.119 0.000 2.342 387 D HA 0.507 5.137 4.640 -0.017 0.000 0.243 387 D C -1.088 175.216 176.300 0.006 0.000 1.019 387 D CA -0.575 53.440 54.000 0.024 0.000 0.864 387 D CB 3.049 43.844 40.800 -0.009 0.000 1.315 387 D HN 0.455 nan 8.370 nan 0.000 0.468 388 V N 3.771 123.632 119.914 -0.087 0.000 2.288 388 V HA 0.206 4.316 4.120 -0.017 0.000 0.266 388 V C -1.608 174.366 176.094 -0.199 0.000 1.048 388 V CA -1.225 60.912 62.300 -0.272 0.000 0.842 388 V CB 0.517 32.025 31.823 -0.525 0.000 1.064 388 V HN 0.410 nan 8.190 nan 0.000 0.472 389 P HA -0.002 nan 4.420 nan 0.000 0.272 389 P C -0.030 177.207 177.300 -0.105 0.000 1.248 389 P CA -0.289 62.742 63.100 -0.116 0.000 0.799 389 P CB 0.947 32.579 31.700 -0.115 0.000 0.997 390 E N 0.420 120.583 120.200 -0.062 0.000 2.328 390 E HA 0.040 4.380 4.350 -0.017 0.000 0.265 390 E C -0.313 176.257 176.600 -0.050 0.000 1.057 390 E CA -0.065 56.312 56.400 -0.038 0.000 0.916 390 E CB 0.012 29.700 29.700 -0.020 0.000 0.993 390 E HN 0.339 nan 8.360 nan 0.000 0.446 391 Q N 1.932 121.707 119.800 -0.042 0.000 2.534 391 Q HA 0.301 4.631 4.340 -0.017 0.000 0.290 391 Q C -1.081 174.923 176.000 0.007 0.000 0.991 391 Q CA -1.089 54.690 55.803 -0.039 0.000 0.783 391 Q CB 1.188 29.870 28.738 -0.093 0.000 1.470 391 Q HN 0.299 nan 8.270 nan 0.000 0.406 392 S N 1.258 116.969 115.700 0.018 0.000 2.701 392 S HA 0.254 4.713 4.470 -0.017 0.000 0.317 392 S C 0.027 174.683 174.600 0.094 0.000 1.149 392 S CA -0.569 57.669 58.200 0.064 0.000 1.052 392 S CB -0.612 62.624 63.200 0.060 0.000 1.257 392 S HN 0.558 nan 8.310 nan 0.000 0.532 393 L N 4.681 125.989 121.223 0.142 0.000 2.805 393 L HA 0.249 4.578 4.340 -0.017 0.000 0.237 393 L C 0.480 177.513 176.870 0.272 0.000 1.252 393 L CA -0.312 54.644 54.840 0.193 0.000 1.064 393 L CB -0.729 41.483 42.059 0.255 0.000 1.361 393 L HN 0.667 nan 8.230 nan 0.000 0.474 394 H N 0.513 119.666 119.070 0.138 0.000 2.489 394 H HA 0.341 4.887 4.556 -0.018 0.000 0.322 394 H C -0.869 174.559 175.328 0.167 0.000 1.091 394 H CA -0.676 55.456 56.048 0.139 0.000 1.291 394 H CB 0.775 30.565 29.762 0.047 0.000 1.436 394 H HN 0.149 nan 8.280 nan 0.000 0.480 395 Y N 2.568 122.560 120.300 -0.513 0.000 2.376 395 Y HA 0.527 5.066 4.550 -0.018 0.000 0.340 395 Y C -0.382 175.165 175.900 -0.589 0.000 0.965 395 Y CA -1.174 56.664 58.100 -0.435 0.000 1.078 395 Y CB 0.702 39.169 38.460 0.012 0.000 1.193 395 Y HN 0.695 nan 8.280 nan 0.000 0.452 396 S N 3.473 118.872 115.700 -0.502 0.000 2.655 396 S HA 0.458 4.917 4.470 -0.017 0.000 0.265 396 S C 0.173 174.692 174.600 -0.135 0.000 1.240 396 S CA -0.744 57.286 58.200 -0.283 0.000 0.986 396 S CB 0.987 64.140 63.200 -0.078 0.000 0.985 396 S HN 0.888 nan 8.310 nan 0.000 0.562 397 L N 0.090 121.259 121.223 -0.089 0.000 2.693 397 L HA 0.334 4.663 4.340 -0.017 0.000 0.235 397 L C 2.134 179.066 176.870 0.102 0.000 1.127 397 L CA 0.337 55.141 54.840 -0.060 0.000 0.914 397 L CB -0.217 41.751 42.059 -0.151 0.000 1.193 397 L HN 0.888 nan 8.230 nan 0.000 0.502 398 A N -0.203 122.648 122.820 0.051 0.000 2.220 398 A HA 0.073 4.383 4.320 -0.017 0.000 0.211 398 A C 1.211 178.803 177.584 0.013 0.000 1.176 398 A CA 0.015 52.071 52.037 0.032 0.000 0.834 398 A CB 0.029 19.036 19.000 0.012 0.000 0.868 398 A HN 0.215 nan 8.150 nan 0.000 0.488 399 R N 0.548 121.075 120.500 0.046 0.000 2.221 399 R HA 0.545 4.874 4.340 -0.017 0.000 0.327 399 R C -1.187 175.140 176.300 0.045 0.000 1.033 399 R CA -0.152 55.951 56.100 0.005 0.000 0.887 399 R CB 0.297 30.594 30.300 -0.005 0.000 1.057 399 R HN 0.314 nan 8.270 nan 0.000 0.455 400 M N 7.664 127.179 119.600 -0.140 0.000 2.078 400 M HA 0.359 4.829 4.480 -0.017 0.000 0.320 400 M C -2.094 173.798 176.300 -0.681 0.000 0.969 400 M CA -1.974 53.157 55.300 -0.283 0.000 0.929 400 M CB 2.055 34.418 32.600 -0.395 0.000 1.504 400 M HN 0.415 nan 8.290 nan 0.000 0.419 401 P HA 0.284 nan 4.420 nan 0.000 0.297 401 P C -0.593 176.677 177.300 -0.049 0.000 1.303 401 P CA -0.368 62.634 63.100 -0.165 0.000 0.753 401 P CB 1.054 32.517 31.700 -0.395 0.000 1.281 402 S N -1.651 114.044 115.700 -0.009 0.000 2.667 402 S HA 0.801 5.261 4.470 -0.017 0.000 0.292 402 S C -1.381 173.277 174.600 0.098 0.000 1.126 402 S CA -0.612 57.637 58.200 0.081 0.000 0.881 402 S CB 0.447 63.743 63.200 0.160 0.000 1.132 402 S HN 0.482 nan 8.310 nan 0.000 0.492 403 L N 1.872 123.087 121.223 -0.012 0.000 2.789 403 L HA 0.499 4.828 4.340 -0.017 0.000 0.254 403 L C -2.952 173.729 176.870 -0.316 0.000 0.952 403 L CA -0.824 53.778 54.840 -0.398 0.000 0.942 403 L CB 1.548 43.264 42.059 -0.571 0.000 1.502 403 L HN 0.470 nan 8.230 nan 0.000 0.425 404 P HA 0.132 nan 4.420 nan 0.000 0.264 404 P C 0.082 177.285 177.300 -0.161 0.000 1.183 404 P CA 0.167 63.172 63.100 -0.157 0.000 0.763 404 P CB 0.589 32.204 31.700 -0.142 0.000 0.807 405 E N 1.465 121.622 120.200 -0.071 0.000 2.048 405 E HA -0.248 4.091 4.350 -0.017 0.000 0.202 405 E C 1.834 178.385 176.600 -0.082 0.000 1.021 405 E CA 2.292 58.652 56.400 -0.067 0.000 0.825 405 E CB -0.328 29.372 29.700 0.000 0.000 0.756 405 E HN 0.584 nan 8.360 nan 0.000 0.454 406 S N -1.034 114.635 115.700 -0.052 0.000 2.423 406 S HA -0.030 4.429 4.470 -0.017 0.000 0.231 406 S C 1.721 176.283 174.600 -0.063 0.000 1.014 406 S CA 1.040 59.207 58.200 -0.055 0.000 0.965 406 S CB 0.170 63.337 63.200 -0.054 0.000 0.785 406 S HN 0.491 nan 8.310 nan 0.000 0.495 407 G N 0.102 108.848 108.800 -0.091 0.000 2.175 407 G HA2 -0.226 3.723 3.960 -0.017 0.000 0.244 407 G HA3 -0.226 3.723 3.960 -0.017 0.000 0.244 407 G C 0.234 175.182 174.900 0.080 0.000 0.982 407 G CA -0.281 44.769 45.100 -0.084 0.000 0.641 407 G HN 1.284 nan 8.290 nan 0.000 0.527 408 F N -1.231 118.633 119.950 -0.143 0.000 2.278 408 F HA -0.152 4.364 4.527 -0.018 0.000 0.475 408 F C 0.320 176.031 175.800 -0.148 0.000 1.224 408 F CA 0.057 57.973 58.000 -0.140 0.000 1.526 408 F CB -1.143 37.769 39.000 -0.147 0.000 2.372 408 F HN 0.503 nan 8.300 nan 0.000 0.748 409 V N 7.284 126.975 119.914 -0.372 0.000 2.508 409 V HA 0.301 4.410 4.120 -0.017 0.000 0.281 409 V C 0.806 176.602 176.094 -0.496 0.000 1.041 409 V CA 0.299 62.392 62.300 -0.344 0.000 1.016 409 V CB 1.358 33.037 31.823 -0.240 0.000 0.984 409 V HN 0.522 nan 8.190 nan 0.000 0.478 410 M N 5.093 124.441 119.600 -0.420 0.000 2.364 410 M HA 0.578 5.048 4.480 -0.017 0.000 0.334 410 M C -0.073 176.068 176.300 -0.265 0.000 1.107 410 M CA -0.040 55.021 55.300 -0.399 0.000 0.988 410 M CB 2.129 34.402 32.600 -0.545 0.000 1.673 410 M HN 0.792 nan 8.290 nan 0.000 0.441 411 S N 0.403 116.016 115.700 -0.146 0.000 2.732 411 S HA 0.843 5.302 4.470 -0.017 0.000 0.293 411 S C 0.544 175.137 174.600 -0.010 0.000 1.159 411 S CA -0.287 57.859 58.200 -0.089 0.000 0.847 411 S CB 1.468 64.616 63.200 -0.087 0.000 1.169 411 S HN 1.188 nan 8.310 nan 0.000 0.501 412 G N 0.359 109.158 108.800 -0.002 0.000 2.321 412 G HA2 -0.231 3.718 3.960 -0.017 0.000 0.287 412 G HA3 -0.231 3.718 3.960 -0.017 0.000 0.287 412 G C -0.020 174.921 174.900 0.069 0.000 1.018 412 G CA 0.467 45.583 45.100 0.027 0.000 0.855 412 G HN 0.833 nan 8.290 nan 0.000 0.507 413 I N 0.218 120.836 120.570 0.079 0.000 2.588 413 I HA 0.375 4.535 4.170 -0.017 0.000 0.283 413 I C 1.028 177.231 176.117 0.143 0.000 1.119 413 I CA 0.140 61.527 61.300 0.145 0.000 1.419 413 I CB 0.543 38.624 38.000 0.135 0.000 1.394 413 I HN 0.448 nan 8.210 nan 0.000 0.562 414 R N 5.212 125.804 120.500 0.153 0.000 2.561 414 R HA 0.455 4.784 4.340 -0.017 0.000 0.266 414 R C -0.990 175.379 176.300 0.115 0.000 1.091 414 R CA -1.143 55.029 56.100 0.120 0.000 0.927 414 R CB 1.206 31.553 30.300 0.077 0.000 1.240 414 R HN 0.670 nan 8.270 nan 0.000 0.449 415 R N 2.051 122.617 120.500 0.110 0.000 2.827 415 R HA 0.336 4.665 4.340 -0.017 0.000 0.269 415 R C -0.664 175.671 176.300 0.058 0.000 1.048 415 R CA -0.431 55.725 56.100 0.093 0.000 1.173 415 R CB 0.746 31.100 30.300 0.091 0.000 1.070 415 R HN 0.815 nan 8.270 nan 0.000 0.498 416 K N 0.000 120.427 120.400 0.045 0.000 2.780 416 K HA 0.000 4.310 4.320 -0.017 0.000 0.191 416 K CA 0.000 56.302 56.287 0.025 0.000 0.838 416 K CB 0.000 32.505 32.500 0.008 0.000 1.064 416 K HN 0.000 nan 8.250 nan 0.000 0.543