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 2x6f_1_B DATA FIRST_RESID 291 DATA SEQUENCE ASIRDQLHTI VYRYPPTYVL SSEEQDLVWK FRFYLSSHKK ALTKFLKCIN DATA SEQUENCE WKLEDEVTQA LWMLANWAPM DVEDALELLS PTFTHPQVRK YAVSRLAQAP DATA SEQUENCE DEDLLLYLLQ LVQALKYEDP RHIVHLHGCI FXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XNLCTFLIQR DATA SEQUENCE ACTNATLANY FYWYLSIEVE XXXXXXXQDE RAHDMYAMVL KMFLKVLENG DATA SEQUENCE NFNLRGIFYN LRKQRRFIDE LVKLVKLVAK EPGNRNKKTE KFQKLLAEQD DATA SEQUENCE MFKVNFTNFE PIPFPLDPEI YITKIVPMRT SLFKSALMPA KLTFVTSIAH DATA SEQUENCE HEYAAIFKHG DDLRQDQLIL QMITLMDKLL RRENLDLKLT PYKVLATSSK DATA SEQUENCE HGFLQYVDSC TVAEVLAREG NIHNFFRKHH PCDNGPYGIS AEVMDTYIKS DATA SEQUENCE CAGYCVITYL LGVGDRHLDN LLLTTNGKLF HIDFGYILGR DPKPMPPPMK DATA SEQUENCE LSKEMVEAMG GISSEHHHEF RKQCYTAYLH LRRHANVMLN LFSLMVDATV DATA SEQUENCE PDIALEPDKA VKKVEENLQL GLTDEEAVQH LQSLLDVSIT AVMPALVEQI DATA SEQUENCE HRFTQYWRK 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 291 A HA 0.000 nan 4.320 nan 0.000 0.244 291 A C 0.000 177.535 177.584 -0.082 0.000 1.274 291 A CA 0.000 52.006 52.037 -0.051 0.000 0.836 291 A CB 0.000 18.957 19.000 -0.071 0.000 0.831 292 S N 0.259 115.934 115.700 -0.043 0.000 2.428 292 S HA -0.022 4.448 4.470 -0.001 0.000 0.230 292 S C 1.675 176.244 174.600 -0.051 0.000 1.014 292 S CA 1.575 59.755 58.200 -0.033 0.000 0.957 292 S CB -0.339 62.854 63.200 -0.011 0.000 0.784 292 S HN 0.568 nan 8.310 nan 0.000 0.499 293 I N 1.377 121.909 120.570 -0.064 0.000 2.286 293 I HA -0.118 4.051 4.170 -0.001 0.000 0.245 293 I C 2.479 178.531 176.117 -0.110 0.000 1.104 293 I CA 0.897 62.157 61.300 -0.066 0.000 1.397 293 I CB -0.189 37.778 38.000 -0.054 0.000 1.072 293 I HN 0.164 nan 8.210 nan 0.000 0.417 294 R N 0.430 120.821 120.500 -0.181 0.000 2.170 294 R HA -0.231 4.108 4.340 -0.001 0.000 0.242 294 R C 1.881 177.985 176.300 -0.327 0.000 1.145 294 R CA 1.515 57.429 56.100 -0.311 0.000 0.984 294 R CB -0.449 29.569 30.300 -0.471 0.000 0.869 294 R HN 0.362 nan 8.270 nan 0.000 0.455 295 D N 0.869 121.159 120.400 -0.184 0.000 2.117 295 D HA -0.162 4.478 4.640 -0.001 0.000 0.197 295 D C 1.696 178.016 176.300 0.033 0.000 0.987 295 D CA 1.312 55.296 54.000 -0.028 0.000 0.829 295 D CB 0.093 40.902 40.800 0.015 0.000 0.961 295 D HN 0.275 nan 8.370 nan 0.000 0.460 296 Q N -0.543 119.249 119.800 -0.013 0.000 2.224 296 Q HA -0.049 4.291 4.340 -0.001 0.000 0.203 296 Q C 2.374 178.359 176.000 -0.026 0.000 0.970 296 Q CA 0.707 56.506 55.803 -0.008 0.000 0.865 296 Q CB 0.112 28.844 28.738 -0.009 0.000 0.922 296 Q HN 0.384 nan 8.270 nan 0.000 0.445 297 L N -1.008 120.188 121.223 -0.045 0.000 2.209 297 L HA -0.069 4.271 4.340 -0.001 0.000 0.207 297 L C 2.070 178.957 176.870 0.029 0.000 1.094 297 L CA 0.506 55.327 54.840 -0.033 0.000 0.790 297 L CB -0.431 41.581 42.059 -0.079 0.000 0.932 297 L HN 0.206 nan 8.230 nan 0.000 0.447 298 H N -0.299 118.760 119.070 -0.019 0.000 2.357 298 H HA -0.121 4.434 4.556 -0.001 0.000 0.301 298 H C 2.449 177.788 175.328 0.018 0.000 1.082 298 H CA 1.710 57.789 56.048 0.052 0.000 1.342 298 H CB -0.303 29.527 29.762 0.113 0.000 1.389 298 H HN 0.109 nan 8.280 nan 0.000 0.511 299 T N 0.453 115.058 114.554 0.084 0.000 2.778 299 T HA -0.130 4.220 4.350 -0.001 0.000 0.269 299 T C 2.263 176.358 174.700 -1.008 0.000 1.050 299 T CA 1.067 62.936 62.100 -0.386 0.000 1.137 299 T CB -0.394 68.425 68.868 -0.081 0.000 0.860 299 T HN 0.218 nan 8.240 nan 0.000 0.468 300 I N 0.385 120.599 120.570 -0.594 0.000 2.142 300 I HA -0.164 4.006 4.170 -0.001 0.000 0.240 300 I C 2.313 177.924 176.117 -0.843 0.000 1.078 300 I CA 1.296 62.077 61.300 -0.865 0.000 1.343 300 I CB -0.055 37.904 38.000 -0.068 0.000 1.046 300 I HN 0.148 nan 8.210 nan 0.000 0.405 301 V N 0.678 120.444 119.914 -0.248 0.000 2.453 301 V HA -0.287 3.833 4.120 -0.001 0.000 0.247 301 V C 2.274 178.368 176.094 0.000 0.000 1.048 301 V CA 2.001 64.323 62.300 0.037 0.000 1.049 301 V CB -1.300 30.614 31.823 0.151 0.000 0.672 301 V HN 0.568 nan 8.190 nan 0.000 0.457 302 Y N 0.801 121.082 120.300 -0.031 0.000 2.293 302 Y HA -0.001 4.549 4.550 -0.001 0.000 0.291 302 Y C 2.467 178.340 175.900 -0.046 0.000 1.137 302 Y CA 1.086 59.179 58.100 -0.012 0.000 1.202 302 Y CB -0.686 37.782 38.460 0.013 0.000 0.990 302 Y HN -0.044 nan 8.280 nan 0.000 0.537 303 R N -1.051 119.145 120.500 -0.507 0.000 2.100 303 R HA -0.037 4.303 4.340 -0.001 0.000 0.220 303 R C 1.787 178.031 176.300 -0.093 0.000 1.091 303 R CA 0.998 56.918 56.100 -0.299 0.000 0.986 303 R CB -0.315 29.660 30.300 -0.540 0.000 0.888 303 R HN 0.369 nan 8.270 nan 0.000 0.444 304 Y N 0.503 120.731 120.300 -0.120 0.000 2.184 304 Y HA 0.070 4.620 4.550 -0.001 0.000 0.290 304 Y C -1.244 174.513 175.900 -0.238 0.000 1.129 304 Y CA -0.290 57.716 58.100 -0.158 0.000 1.144 304 Y CB -1.363 37.014 38.460 -0.139 0.000 0.995 304 Y HN 0.121 nan 8.280 nan 0.000 0.513 305 P HA 0.325 nan 4.420 nan 0.000 0.302 305 P C -2.563 174.694 177.300 -0.071 0.000 1.364 305 P CA -2.058 60.897 63.100 -0.242 0.000 1.045 305 P CB 3.414 34.735 31.700 -0.631 0.000 1.368 306 P HA 0.137 nan 4.420 nan 0.000 0.282 306 P C 0.473 177.771 177.300 -0.003 0.000 1.327 306 P CA 0.340 63.435 63.100 -0.008 0.000 0.949 306 P CB 0.464 32.161 31.700 -0.006 0.000 1.445 307 T N -6.396 108.134 114.554 -0.040 0.000 3.041 307 T HA 0.168 4.517 4.350 -0.001 0.000 0.276 307 T C 0.576 175.302 174.700 0.042 0.000 0.948 307 T CA -0.229 61.861 62.100 -0.018 0.000 0.885 307 T CB -0.890 67.948 68.868 -0.051 0.000 1.175 307 T HN -0.110 nan 8.240 nan 0.000 0.529 308 Y N 1.475 121.778 120.300 0.005 0.000 2.969 308 Y HA -0.005 4.545 4.550 -0.001 0.000 0.339 308 Y C 1.504 177.392 175.900 -0.020 0.000 1.272 308 Y CA -0.343 57.756 58.100 -0.002 0.000 1.577 308 Y CB 0.696 39.165 38.460 0.014 0.000 1.234 308 Y HN -0.068 nan 8.280 nan 0.000 0.590 309 V N 4.907 124.929 119.914 0.180 0.000 3.431 309 V HA -0.045 4.074 4.120 -0.001 0.000 0.253 309 V C 0.709 176.781 176.094 -0.036 0.000 1.184 309 V CA 0.090 62.412 62.300 0.037 0.000 1.104 309 V CB -0.010 31.817 31.823 0.007 0.000 0.799 309 V HN 0.531 nan 8.190 nan 0.000 0.462 310 L N 1.904 123.097 121.223 -0.049 0.000 2.573 310 L HA 0.026 4.366 4.340 -0.001 0.000 0.290 310 L C 0.972 177.695 176.870 -0.246 0.000 1.247 310 L CA 1.084 55.809 54.840 -0.191 0.000 0.876 310 L CB -0.150 41.716 42.059 -0.322 0.000 1.123 310 L HN 0.676 nan 8.230 nan 0.000 0.505 311 S N 0.652 116.244 115.700 -0.179 0.000 3.386 311 S HA -0.152 4.317 4.470 -0.001 0.000 0.403 311 S C 0.571 175.086 174.600 -0.143 0.000 0.893 311 S CA 0.471 58.581 58.200 -0.149 0.000 1.336 311 S CB -1.872 61.239 63.200 -0.148 0.000 0.925 311 S HN 0.928 nan 8.310 nan 0.000 0.589 312 S N -0.447 115.159 115.700 -0.157 0.000 3.033 312 S HA 0.341 4.811 4.470 -0.001 0.000 0.258 312 S C 0.662 175.170 174.600 -0.153 0.000 1.207 312 S CA 0.134 58.218 58.200 -0.193 0.000 1.248 312 S CB -0.236 62.782 63.200 -0.303 0.000 0.932 312 S HN 0.845 nan 8.310 nan 0.000 0.472 313 E N 0.670 120.813 120.200 -0.095 0.000 2.879 313 E HA 0.018 4.368 4.350 -0.001 0.000 0.206 313 E C 1.552 178.142 176.600 -0.016 0.000 0.969 313 E CA 0.235 56.605 56.400 -0.050 0.000 1.496 313 E CB -0.189 29.482 29.700 -0.049 0.000 1.454 313 E HN 0.617 nan 8.360 nan 0.000 0.750 314 E N 2.410 122.591 120.200 -0.031 0.000 2.274 314 E HA -0.227 4.123 4.350 -0.001 0.000 0.194 314 E C 1.910 178.520 176.600 0.016 0.000 0.996 314 E CA 1.022 57.419 56.400 -0.006 0.000 0.840 314 E CB -0.019 29.661 29.700 -0.032 0.000 0.772 314 E HN 0.296 nan 8.360 nan 0.000 0.491 315 Q N 1.156 120.946 119.800 -0.017 0.000 2.344 315 Q HA -0.218 4.121 4.340 -0.001 0.000 0.212 315 Q C 0.973 177.000 176.000 0.044 0.000 0.991 315 Q CA 2.062 57.856 55.803 -0.015 0.000 0.897 315 Q CB -0.278 28.424 28.738 -0.059 0.000 0.915 315 Q HN 0.432 nan 8.270 nan 0.000 0.438 316 D N 0.744 121.214 120.400 0.117 0.000 2.379 316 D HA -0.025 4.614 4.640 -0.001 0.000 0.208 316 D C 1.881 178.337 176.300 0.260 0.000 1.065 316 D CA 0.339 54.503 54.000 0.274 0.000 0.848 316 D CB 0.022 41.070 40.800 0.413 0.000 0.949 316 D HN 0.447 nan 8.370 nan 0.000 0.509 317 L N 0.161 121.490 121.223 0.176 0.000 2.093 317 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 317 L C 2.038 179.071 176.870 0.273 0.000 1.085 317 L CA 1.141 56.092 54.840 0.185 0.000 0.755 317 L CB -1.115 41.022 42.059 0.129 0.000 0.904 317 L HN -0.140 nan 8.230 nan 0.000 0.435 318 V N -1.080 118.987 119.914 0.255 0.000 2.255 318 V HA -0.268 3.852 4.120 -0.001 0.000 0.247 318 V C 2.344 178.570 176.094 0.221 0.000 1.051 318 V CA 2.039 64.486 62.300 0.245 0.000 1.018 318 V CB -1.631 30.257 31.823 0.107 0.000 0.641 318 V HN 0.773 nan 8.190 nan 0.000 0.445 319 W N 2.662 123.901 121.300 -0.102 0.000 2.292 319 W HA -0.336 4.323 4.660 -0.001 0.000 0.304 319 W C 2.516 178.992 176.519 -0.072 0.000 1.228 319 W CA 2.816 60.016 57.345 -0.242 0.000 1.241 319 W CB -0.453 28.884 29.460 -0.205 0.000 1.142 319 W HN 0.497 nan 8.180 nan 0.000 0.520 320 K N -1.500 118.998 120.400 0.163 0.000 2.103 320 K HA -0.136 4.184 4.320 -0.001 0.000 0.204 320 K C 1.910 178.664 176.600 0.256 0.000 1.052 320 K CA 1.899 58.270 56.287 0.140 0.000 0.945 320 K CB -1.435 31.142 32.500 0.128 0.000 0.722 320 K HN 0.108 nan 8.250 nan 0.000 0.443 321 F N 0.850 120.939 119.950 0.231 0.000 2.749 321 F HA 0.319 4.845 4.527 -0.001 0.000 0.300 321 F C 1.937 177.884 175.800 0.246 0.000 1.103 321 F CA -0.177 58.004 58.000 0.302 0.000 1.342 321 F CB 0.338 39.592 39.000 0.425 0.000 1.098 321 F HN -0.080 nan 8.300 nan 0.000 0.586 322 R N -0.873 119.785 120.500 0.263 0.000 2.115 322 R HA -0.116 4.223 4.340 -0.001 0.000 0.226 322 R C 1.893 178.233 176.300 0.067 0.000 1.100 322 R CA 1.243 57.471 56.100 0.215 0.000 0.980 322 R CB -0.437 30.031 30.300 0.281 0.000 0.875 322 R HN 0.234 nan 8.270 nan 0.000 0.445 323 F N -0.453 119.542 119.950 0.076 0.000 2.120 323 F HA -0.276 4.251 4.527 -0.001 0.000 0.300 323 F C 1.857 177.550 175.800 -0.178 0.000 1.095 323 F CA 1.559 59.505 58.000 -0.090 0.000 1.249 323 F CB -0.646 38.176 39.000 -0.296 0.000 0.995 323 F HN 0.068 nan 8.300 nan 0.000 0.480 324 Y N -1.700 118.672 120.300 0.120 0.000 2.231 324 Y HA 0.037 4.586 4.550 -0.001 0.000 0.294 324 Y C 1.463 177.360 175.900 -0.006 0.000 1.120 324 Y CA -0.043 58.069 58.100 0.021 0.000 1.141 324 Y CB -0.109 38.330 38.460 -0.034 0.000 1.022 324 Y HN -0.236 nan 8.280 nan 0.000 0.523 325 L N 1.855 123.211 121.223 0.222 0.000 2.873 325 L HA 0.078 4.418 4.340 -0.001 0.000 0.236 325 L C 0.938 177.757 176.870 -0.086 0.000 1.375 325 L CA 0.426 55.348 54.840 0.137 0.000 1.239 325 L CB -1.379 40.855 42.059 0.292 0.000 1.603 325 L HN 0.190 nan 8.230 nan 0.000 0.430 326 S N -2.370 113.028 115.700 -0.504 0.000 3.120 326 S HA -0.037 4.433 4.470 -0.001 0.000 0.259 326 S C 1.695 175.821 174.600 -0.791 0.000 1.191 326 S CA 0.201 57.460 58.200 -1.568 0.000 1.257 326 S CB -0.406 61.765 63.200 -1.714 0.000 0.964 326 S HN 0.598 nan 8.310 nan 0.000 0.473 327 S N 0.994 116.578 115.700 -0.194 0.000 2.398 327 S HA -0.141 4.329 4.470 -0.001 0.000 0.220 327 S C 0.737 175.376 174.600 0.065 0.000 1.038 327 S CA 0.929 59.119 58.200 -0.016 0.000 1.080 327 S CB -0.627 62.610 63.200 0.061 0.000 1.039 327 S HN 0.778 nan 8.310 nan 0.000 0.419 328 H N -0.450 118.661 119.070 0.068 0.000 2.949 328 H HA 0.545 5.101 4.556 -0.001 0.000 0.310 328 H C 0.892 176.366 175.328 0.243 0.000 1.405 328 H CA -0.775 55.325 56.048 0.086 0.000 1.253 328 H CB 1.236 30.973 29.762 -0.041 0.000 1.932 328 H HN 0.118 nan 8.280 nan 0.000 0.602 329 K N 0.223 120.688 120.400 0.108 0.000 2.020 329 K HA -0.166 4.153 4.320 -0.001 0.000 0.212 329 K C 1.593 178.242 176.600 0.081 0.000 1.050 329 K CA 1.714 58.060 56.287 0.099 0.000 0.929 329 K CB 0.015 32.553 32.500 0.064 0.000 0.714 329 K HN 0.305 nan 8.250 nan 0.000 0.443 330 K N 0.943 121.407 120.400 0.107 0.000 2.097 330 K HA -0.051 4.269 4.320 -0.001 0.000 0.206 330 K C 2.254 178.868 176.600 0.024 0.000 1.049 330 K CA 1.487 57.816 56.287 0.070 0.000 0.933 330 K CB -0.838 31.746 32.500 0.139 0.000 0.717 330 K HN 0.220 nan 8.250 nan 0.000 0.442 331 A N 2.234 125.102 122.820 0.080 0.000 1.896 331 A HA -0.229 4.091 4.320 -0.001 0.000 0.220 331 A C 2.260 179.681 177.584 -0.272 0.000 1.206 331 A CA 2.000 54.083 52.037 0.077 0.000 0.647 331 A CB -0.906 18.353 19.000 0.431 0.000 0.828 331 A HN 0.252 nan 8.150 nan 0.000 0.455 332 L N 0.110 120.878 121.223 -0.758 0.000 2.081 332 L HA -0.177 4.163 4.340 -0.001 0.000 0.212 332 L C 2.751 179.260 176.870 -0.600 0.000 1.080 332 L CA 3.121 57.222 54.840 -1.231 0.000 0.754 332 L CB -1.124 39.985 42.059 -1.585 0.000 0.893 332 L HN 0.622 nan 8.230 nan 0.000 0.433 333 T N -2.308 112.037 114.554 -0.348 0.000 2.746 333 T HA -0.196 4.153 4.350 -0.001 0.000 0.267 333 T C 2.035 176.709 174.700 -0.043 0.000 1.039 333 T CA 1.380 63.369 62.100 -0.184 0.000 1.142 333 T CB -0.219 68.606 68.868 -0.071 0.000 0.866 333 T HN 0.244 nan 8.240 nan 0.000 0.444 334 K N 0.596 120.988 120.400 -0.014 0.000 2.057 334 K HA -0.004 4.315 4.320 -0.001 0.000 0.207 334 K C 1.927 178.567 176.600 0.067 0.000 1.049 334 K CA 1.323 57.646 56.287 0.059 0.000 0.931 334 K CB -1.174 31.376 32.500 0.083 0.000 0.714 334 K HN 0.650 nan 8.250 nan 0.000 0.440 335 F N 1.444 121.274 119.950 -0.201 0.000 2.065 335 F HA -0.264 4.263 4.527 -0.001 0.000 0.298 335 F C 1.664 177.347 175.800 -0.196 0.000 1.112 335 F CA 0.978 58.839 58.000 -0.232 0.000 1.212 335 F CB 0.008 38.730 39.000 -0.464 0.000 0.975 335 F HN -0.121 nan 8.300 nan 0.000 0.476 336 L N 1.026 122.443 121.223 0.322 0.000 2.191 336 L HA -0.170 4.169 4.340 -0.001 0.000 0.212 336 L C 2.085 179.080 176.870 0.208 0.000 1.103 336 L CA 1.488 56.459 54.840 0.217 0.000 0.769 336 L CB -1.492 40.504 42.059 -0.105 0.000 0.908 336 L HN 0.232 nan 8.230 nan 0.000 0.438 337 K N -0.790 119.728 120.400 0.197 0.000 2.360 337 K HA -0.133 4.187 4.320 -0.001 0.000 0.201 337 K C 1.878 178.529 176.600 0.084 0.000 1.046 337 K CA 1.453 57.841 56.287 0.169 0.000 0.945 337 K CB -0.005 32.566 32.500 0.119 0.000 0.750 337 K HN 0.554 nan 8.250 nan 0.000 0.464 338 C N -0.773 118.540 119.300 0.022 0.000 2.553 338 C HA 0.232 4.692 4.460 -0.001 0.000 0.447 338 C C 2.352 177.311 174.990 -0.051 0.000 1.351 338 C CA -0.715 58.287 59.018 -0.026 0.000 2.354 338 C CB -0.755 26.933 27.740 -0.087 0.000 2.905 338 C HN 0.372 nan 8.230 nan 0.000 0.554 339 I N 2.518 122.970 120.570 -0.196 0.000 2.361 339 I HA -0.120 4.049 4.170 -0.001 0.000 0.251 339 I C 1.783 177.833 176.117 -0.111 0.000 1.133 339 I CA 2.093 63.199 61.300 -0.324 0.000 1.413 339 I CB -1.345 36.338 38.000 -0.528 0.000 1.073 339 I HN 0.240 nan 8.210 nan 0.000 0.424 340 N N 0.849 119.548 118.700 -0.002 0.000 2.166 340 N HA -0.212 4.527 4.740 -0.001 0.000 0.186 340 N C 1.415 176.973 175.510 0.080 0.000 1.019 340 N CA 1.652 54.731 53.050 0.049 0.000 0.856 340 N CB -0.633 37.923 38.487 0.115 0.000 0.993 340 N HN 0.633 nan 8.380 nan 0.000 0.426 341 W N 1.422 122.698 121.300 -0.039 0.000 2.321 341 W HA -0.086 4.574 4.660 -0.001 0.000 0.306 341 W C 0.530 177.034 176.519 -0.025 0.000 1.217 341 W CA 1.039 58.367 57.345 -0.028 0.000 1.257 341 W CB -0.192 29.249 29.460 -0.032 0.000 1.145 341 W HN -0.212 nan 8.180 nan 0.000 0.509 342 K N 0.674 121.127 120.400 0.089 0.000 2.298 342 K HA 0.124 4.444 4.320 -0.001 0.000 0.280 342 K C 0.846 177.391 176.600 -0.091 0.000 1.032 342 K CA 0.222 56.474 56.287 -0.058 0.000 0.958 342 K CB 0.695 33.227 32.500 0.054 0.000 0.978 342 K HN 0.099 nan 8.250 nan 0.000 0.472 343 L N 1.855 123.006 121.223 -0.120 0.000 2.044 343 L HA -0.082 4.258 4.340 -0.001 0.000 0.205 343 L C 1.394 178.243 176.870 -0.035 0.000 1.075 343 L CA 1.448 56.230 54.840 -0.096 0.000 0.747 343 L CB -0.064 41.930 42.059 -0.108 0.000 0.903 343 L HN 0.739 nan 8.230 nan 0.000 0.435 344 E N -1.837 118.355 120.200 -0.014 0.000 2.940 344 E HA -0.069 4.281 4.350 -0.001 0.000 0.203 344 E C 1.309 177.929 176.600 0.034 0.000 0.995 344 E CA 0.004 56.412 56.400 0.012 0.000 1.396 344 E CB 0.302 30.008 29.700 0.010 0.000 1.310 344 E HN 0.150 nan 8.360 nan 0.000 0.613 345 D N 1.196 121.624 120.400 0.046 0.000 2.249 345 D HA -0.062 4.577 4.640 -0.001 0.000 0.205 345 D C 1.524 177.879 176.300 0.092 0.000 0.962 345 D CA 0.709 54.751 54.000 0.070 0.000 0.860 345 D CB 0.392 41.239 40.800 0.078 0.000 0.955 345 D HN 0.168 nan 8.370 nan 0.000 0.505 346 E N 0.274 120.520 120.200 0.076 0.000 2.110 346 E HA -0.103 4.247 4.350 -0.001 0.000 0.193 346 E C 2.324 178.948 176.600 0.040 0.000 0.988 346 E CA 0.499 56.934 56.400 0.058 0.000 0.804 346 E CB 0.131 29.776 29.700 -0.092 0.000 0.745 346 E HN 0.138 nan 8.360 nan 0.000 0.458 347 V N 1.840 121.767 119.914 0.020 0.000 2.252 347 V HA -0.312 3.808 4.120 -0.001 0.000 0.249 347 V C 2.941 179.063 176.094 0.047 0.000 1.056 347 V CA 2.456 64.762 62.300 0.009 0.000 1.022 347 V CB -1.011 30.815 31.823 0.006 0.000 0.641 347 V HN 0.505 nan 8.190 nan 0.000 0.445 348 T N -1.310 113.292 114.554 0.080 0.000 2.788 348 T HA -0.330 4.020 4.350 -0.001 0.000 0.268 348 T C 1.880 176.681 174.700 0.167 0.000 1.044 348 T CA 2.240 64.407 62.100 0.112 0.000 1.139 348 T CB -0.324 68.607 68.868 0.106 0.000 0.867 348 T HN 0.601 nan 8.240 nan 0.000 0.454 349 Q N 0.164 120.075 119.800 0.185 0.000 2.119 349 Q HA 0.038 4.377 4.340 -0.001 0.000 0.201 349 Q C 2.495 178.695 176.000 0.333 0.000 0.972 349 Q CA 1.302 57.265 55.803 0.267 0.000 0.847 349 Q CB -0.514 28.403 28.738 0.299 0.000 0.903 349 Q HN 0.719 nan 8.270 nan 0.000 0.433 350 A N 0.680 123.649 122.820 0.248 0.000 1.930 350 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 350 A C 1.893 179.538 177.584 0.101 0.000 1.175 350 A CA 0.929 53.119 52.037 0.254 0.000 0.627 350 A CB -0.376 18.739 19.000 0.193 0.000 0.815 350 A HN 0.397 nan 8.150 nan 0.000 0.443 351 L N -2.332 118.931 121.223 0.066 0.000 2.083 351 L HA -0.143 4.196 4.340 -0.001 0.000 0.209 351 L C 2.179 179.087 176.870 0.064 0.000 1.083 351 L CA 1.200 56.041 54.840 0.001 0.000 0.752 351 L CB -2.063 40.005 42.059 0.015 0.000 0.899 351 L HN 0.732 nan 8.230 nan 0.000 0.433 352 W N -0.084 121.244 121.300 0.046 0.000 2.378 352 W HA -0.211 4.449 4.660 -0.001 0.000 0.313 352 W C 2.723 179.292 176.519 0.083 0.000 1.197 352 W CA 1.061 58.449 57.345 0.071 0.000 1.304 352 W CB -0.020 29.497 29.460 0.095 0.000 1.148 352 W HN 0.004 nan 8.180 nan 0.000 0.494 353 M N 0.240 120.151 119.600 0.518 0.000 2.082 353 M HA -0.253 4.227 4.480 -0.001 0.000 0.258 353 M C 2.309 178.695 176.300 0.145 0.000 1.069 353 M CA 1.828 57.386 55.300 0.430 0.000 1.102 353 M CB -1.861 31.029 32.600 0.484 0.000 1.336 353 M HN 0.339 nan 8.290 nan 0.000 0.404 354 L N 0.023 121.178 121.223 -0.114 0.000 2.046 354 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 354 L C 2.393 179.195 176.870 -0.112 0.000 1.077 354 L CA 1.800 56.481 54.840 -0.265 0.000 0.747 354 L CB -0.560 41.227 42.059 -0.455 0.000 0.896 354 L HN 0.236 nan 8.230 nan 0.000 0.432 355 A N 0.092 122.812 122.820 -0.166 0.000 1.908 355 A HA -0.288 4.032 4.320 -0.001 0.000 0.218 355 A C 2.020 179.461 177.584 -0.238 0.000 1.181 355 A CA 2.142 54.053 52.037 -0.210 0.000 0.627 355 A CB -0.923 17.840 19.000 -0.395 0.000 0.818 355 A HN 0.623 nan 8.150 nan 0.000 0.445 356 N N -1.512 116.988 118.700 -0.333 0.000 2.467 356 N HA -0.040 4.699 4.740 -0.001 0.000 0.184 356 N C 0.037 175.514 175.510 -0.055 0.000 1.106 356 N CA -0.164 52.732 53.050 -0.256 0.000 0.892 356 N CB -0.097 38.212 38.487 -0.297 0.000 0.969 356 N HN 0.600 nan 8.380 nan 0.000 0.454 357 W N 1.944 123.159 121.300 -0.141 0.000 2.238 357 W HA 0.426 5.085 4.660 -0.001 0.000 0.321 357 W C 0.147 176.615 176.519 -0.085 0.000 1.293 357 W CA -1.045 56.234 57.345 -0.110 0.000 1.204 357 W CB 0.170 29.514 29.460 -0.193 0.000 1.167 357 W HN -0.001 nan 8.180 nan 0.000 0.553 358 A N 8.233 131.101 122.820 0.080 0.000 2.616 358 A HA -0.022 4.297 4.320 -0.001 0.000 0.234 358 A C -1.959 175.741 177.584 0.194 0.000 1.024 358 A CA -0.474 51.617 52.037 0.090 0.000 0.758 358 A CB -0.925 18.059 19.000 -0.026 0.000 0.939 358 A HN 0.329 nan 8.150 nan 0.000 0.510 359 P HA 0.098 nan 4.420 nan 0.000 0.271 359 P C -0.316 177.029 177.300 0.075 0.000 1.216 359 P CA -0.028 63.113 63.100 0.069 0.000 0.771 359 P CB 0.487 32.179 31.700 -0.013 0.000 0.864 360 M N 2.105 121.796 119.600 0.152 0.000 2.238 360 M HA 0.117 4.596 4.480 -0.001 0.000 0.347 360 M C 0.871 177.205 176.300 0.056 0.000 1.173 360 M CA 0.346 55.707 55.300 0.101 0.000 1.147 360 M CB -0.377 32.339 32.600 0.194 0.000 1.547 360 M HN 0.437 nan 8.290 nan 0.000 0.455 361 D N 1.105 121.530 120.400 0.043 0.000 2.371 361 D HA 0.082 4.722 4.640 -0.001 0.000 0.242 361 D C 0.910 177.238 176.300 0.047 0.000 1.218 361 D CA -0.111 53.916 54.000 0.045 0.000 0.945 361 D CB 1.589 42.426 40.800 0.061 0.000 1.137 361 D HN 0.297 nan 8.370 nan 0.000 0.464 362 V N 1.953 121.902 119.914 0.058 0.000 2.515 362 V HA -0.201 3.918 4.120 -0.001 0.000 0.250 362 V C 1.956 178.104 176.094 0.090 0.000 1.058 362 V CA 1.514 63.861 62.300 0.079 0.000 1.064 362 V CB -0.366 31.526 31.823 0.115 0.000 0.675 362 V HN 0.447 nan 8.190 nan 0.000 0.461 363 E N 0.752 121.001 120.200 0.082 0.000 2.072 363 E HA -0.193 4.156 4.350 -0.001 0.000 0.191 363 E C 1.810 178.420 176.600 0.018 0.000 0.985 363 E CA 1.377 57.800 56.400 0.039 0.000 0.801 363 E CB -0.643 29.079 29.700 0.038 0.000 0.750 363 E HN 0.903 nan 8.360 nan 0.000 0.452 364 D N 0.764 121.175 120.400 0.018 0.000 2.149 364 D HA -0.232 4.408 4.640 -0.001 0.000 0.194 364 D C 1.796 178.081 176.300 -0.025 0.000 1.001 364 D CA 2.011 56.004 54.000 -0.013 0.000 0.849 364 D CB -0.326 40.445 40.800 -0.049 0.000 0.939 364 D HN 0.150 nan 8.370 nan 0.000 0.449 365 A N 0.177 122.996 122.820 -0.002 0.000 1.933 365 A HA -0.063 4.256 4.320 -0.001 0.000 0.218 365 A C 2.481 180.053 177.584 -0.019 0.000 1.175 365 A CA 1.472 53.504 52.037 -0.009 0.000 0.628 365 A CB -0.944 18.057 19.000 0.002 0.000 0.814 365 A HN 0.385 nan 8.150 nan 0.000 0.444 366 L N -0.868 120.349 121.223 -0.009 0.000 2.083 366 L HA -0.204 4.135 4.340 -0.001 0.000 0.209 366 L C 2.572 179.442 176.870 -0.000 0.000 1.083 366 L CA 1.833 56.655 54.840 -0.030 0.000 0.752 366 L CB -0.469 41.541 42.059 -0.081 0.000 0.899 366 L HN 0.612 nan 8.230 nan 0.000 0.433 367 E N 0.703 120.926 120.200 0.039 0.000 2.106 367 E HA -0.185 4.165 4.350 -0.001 0.000 0.192 367 E C 2.247 179.024 176.600 0.295 0.000 0.984 367 E CA 0.944 57.431 56.400 0.145 0.000 0.806 367 E CB -0.064 29.731 29.700 0.158 0.000 0.750 367 E HN 0.430 nan 8.360 nan 0.000 0.458 368 L N 0.430 121.689 121.223 0.060 0.000 2.201 368 L HA -0.097 4.242 4.340 -0.001 0.000 0.212 368 L C 2.232 179.139 176.870 0.062 0.000 1.105 368 L CA 0.635 55.389 54.840 -0.142 0.000 0.775 368 L CB -0.294 41.572 42.059 -0.322 0.000 0.913 368 L HN 0.290 nan 8.230 nan 0.000 0.440 369 L N -0.511 120.739 121.223 0.044 0.000 2.478 369 L HA -0.001 4.339 4.340 -0.001 0.000 0.223 369 L C 1.622 178.490 176.870 -0.003 0.000 1.140 369 L CA -0.244 54.602 54.840 0.010 0.000 0.842 369 L CB -0.349 41.677 42.059 -0.056 0.000 0.953 369 L HN 0.286 nan 8.230 nan 0.000 0.452 370 S N 0.055 115.795 115.700 0.067 0.000 2.587 370 S HA 0.081 4.551 4.470 -0.001 0.000 0.260 370 S C -1.373 173.334 174.600 0.177 0.000 1.353 370 S CA -1.022 57.183 58.200 0.009 0.000 0.995 370 S CB 0.001 63.232 63.200 0.052 0.000 0.912 370 S HN -0.029 nan 8.310 nan 0.000 0.568 371 P HA -0.128 nan 4.420 nan 0.000 0.219 371 P C 1.861 179.254 177.300 0.154 0.000 1.150 371 P CA 1.902 65.277 63.100 0.458 0.000 0.814 371 P CB -0.722 31.251 31.700 0.456 0.000 0.787 372 T N -0.564 113.972 114.554 -0.030 0.000 2.597 372 T HA -0.202 4.148 4.350 -0.001 0.000 0.267 372 T C 0.657 175.191 174.700 -0.277 0.000 1.053 372 T CA 1.081 63.016 62.100 -0.275 0.000 1.165 372 T CB -1.617 66.891 68.868 -0.600 0.000 0.863 372 T HN 0.042 nan 8.240 nan 0.000 0.427 373 F N 2.260 122.260 119.950 0.083 0.000 2.404 373 F HA 0.512 5.038 4.527 -0.001 0.000 0.358 373 F C 1.692 177.557 175.800 0.108 0.000 1.120 373 F CA -0.942 57.107 58.000 0.082 0.000 1.144 373 F CB 0.823 39.855 39.000 0.053 0.000 1.133 373 F HN 0.035 nan 8.300 nan 0.000 0.495 374 T N -1.475 113.240 114.554 0.269 0.000 3.014 374 T HA -0.099 4.251 4.350 -0.001 0.000 0.263 374 T C 0.615 175.438 174.700 0.204 0.000 1.078 374 T CA 0.484 62.706 62.100 0.203 0.000 1.135 374 T CB -0.593 68.357 68.868 0.136 0.000 0.895 374 T HN 0.663 nan 8.240 nan 0.000 0.480 375 H N 3.976 123.128 119.070 0.136 0.000 2.897 375 H HA 0.111 4.666 4.556 -0.001 0.000 0.347 375 H C -1.251 174.120 175.328 0.073 0.000 1.068 375 H CA -1.270 54.834 56.048 0.092 0.000 1.426 375 H CB 0.992 30.795 29.762 0.068 0.000 1.410 375 H HN -0.111 nan 8.280 nan 0.000 0.597 376 P HA -0.146 nan 4.420 nan 0.000 0.217 376 P C 1.210 178.495 177.300 -0.024 0.000 1.154 376 P CA 1.011 63.986 63.100 -0.209 0.000 0.841 376 P CB 0.359 31.941 31.700 -0.197 0.000 0.788 377 Q N 0.482 120.357 119.800 0.126 0.000 2.084 377 Q HA -0.117 4.223 4.340 -0.001 0.000 0.202 377 Q C 2.205 178.324 176.000 0.199 0.000 0.978 377 Q CA 1.889 57.880 55.803 0.314 0.000 0.844 377 Q CB -1.162 27.910 28.738 0.556 0.000 0.898 377 Q HN 0.176 nan 8.270 nan 0.000 0.426 378 V N -1.366 118.686 119.914 0.229 0.000 2.427 378 V HA -0.187 3.933 4.120 -0.001 0.000 0.248 378 V C 2.023 178.113 176.094 -0.007 0.000 1.051 378 V CA 1.534 63.822 62.300 -0.019 0.000 1.048 378 V CB -0.655 31.040 31.823 -0.215 0.000 0.666 378 V HN 0.205 nan 8.190 nan 0.000 0.456 379 R N 1.403 121.921 120.500 0.031 0.000 2.083 379 R HA -0.168 4.171 4.340 -0.001 0.000 0.237 379 R C 2.366 178.644 176.300 -0.036 0.000 1.137 379 R CA 2.167 58.258 56.100 -0.015 0.000 0.951 379 R CB -0.906 29.379 30.300 -0.025 0.000 0.851 379 R HN 0.707 nan 8.270 nan 0.000 0.434 380 K N 0.190 120.581 120.400 -0.016 0.000 2.044 380 K HA -0.243 4.077 4.320 -0.001 0.000 0.210 380 K C 2.180 178.760 176.600 -0.035 0.000 1.049 380 K CA 1.735 58.001 56.287 -0.034 0.000 0.927 380 K CB -0.413 32.087 32.500 -0.001 0.000 0.713 380 K HN 0.196 nan 8.250 nan 0.000 0.443 381 Y N 0.673 120.904 120.300 -0.115 0.000 2.145 381 Y HA -0.249 4.301 4.550 -0.001 0.000 0.286 381 Y C 2.159 177.961 175.900 -0.164 0.000 1.145 381 Y CA 1.896 59.912 58.100 -0.139 0.000 1.148 381 Y CB -0.344 38.020 38.460 -0.161 0.000 0.981 381 Y HN 0.231 nan 8.280 nan 0.000 0.507 382 A N -0.459 122.451 122.820 0.151 0.000 1.908 382 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 382 A C 2.197 179.692 177.584 -0.149 0.000 1.181 382 A CA 2.144 54.197 52.037 0.027 0.000 0.627 382 A CB -1.315 17.661 19.000 -0.039 0.000 0.818 382 A HN 0.372 nan 8.150 nan 0.000 0.445 383 V N 0.934 120.718 119.914 -0.216 0.000 2.626 383 V HA -0.191 3.929 4.120 -0.001 0.000 0.252 383 V C 2.737 178.582 176.094 -0.416 0.000 1.067 383 V CA 2.063 64.121 62.300 -0.404 0.000 1.081 383 V CB -0.876 30.725 31.823 -0.369 0.000 0.686 383 V HN 0.748 nan 8.190 nan 0.000 0.468 384 S N 0.086 115.603 115.700 -0.305 0.000 2.453 384 S HA -0.089 4.381 4.470 -0.001 0.000 0.231 384 S C 2.014 176.447 174.600 -0.280 0.000 1.005 384 S CA 0.423 58.454 58.200 -0.282 0.000 0.949 384 S CB -0.228 62.778 63.200 -0.324 0.000 0.774 384 S HN 0.433 nan 8.310 nan 0.000 0.510 385 R N 1.688 122.011 120.500 -0.295 0.000 2.057 385 R HA 0.270 4.609 4.340 -0.001 0.000 0.229 385 R C 2.298 178.511 176.300 -0.147 0.000 1.136 385 R CA 0.798 56.775 56.100 -0.204 0.000 0.952 385 R CB -1.544 28.681 30.300 -0.125 0.000 0.848 385 R HN 0.415 nan 8.270 nan 0.000 0.430 386 L N 0.779 121.886 121.223 -0.192 0.000 2.081 386 L HA -0.180 4.159 4.340 -0.001 0.000 0.212 386 L C 2.545 179.380 176.870 -0.058 0.000 1.080 386 L CA 1.454 56.192 54.840 -0.169 0.000 0.754 386 L CB -0.678 41.160 42.059 -0.368 0.000 0.893 386 L HN 0.171 nan 8.230 nan 0.000 0.433 387 A N -0.765 121.996 122.820 -0.099 0.000 1.908 387 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 387 A C 2.237 179.851 177.584 0.050 0.000 1.181 387 A CA 1.436 53.556 52.037 0.137 0.000 0.627 387 A CB -0.368 18.665 19.000 0.056 0.000 0.818 387 A HN 0.419 nan 8.150 nan 0.000 0.445 388 Q N -0.232 119.549 119.800 -0.033 0.000 2.224 388 Q HA 0.074 4.414 4.340 -0.001 0.000 0.203 388 Q C 1.184 177.162 176.000 -0.038 0.000 0.970 388 Q CA 0.827 56.603 55.803 -0.044 0.000 0.865 388 Q CB -0.772 27.923 28.738 -0.071 0.000 0.922 388 Q HN 0.624 nan 8.270 nan 0.000 0.445 389 A N 3.056 125.854 122.820 -0.036 0.000 2.477 389 A HA 0.297 4.617 4.320 -0.001 0.000 0.246 389 A C -2.114 175.434 177.584 -0.059 0.000 1.078 389 A CA -0.961 51.039 52.037 -0.062 0.000 0.770 389 A CB -0.203 18.742 19.000 -0.091 0.000 1.011 389 A HN -0.023 nan 8.150 nan 0.000 0.494 390 P HA 0.226 nan 4.420 nan 0.000 0.274 390 P C -0.157 177.079 177.300 -0.106 0.000 1.231 390 P CA -0.369 62.680 63.100 -0.084 0.000 0.790 390 P CB 0.614 32.263 31.700 -0.085 0.000 0.951 391 D N 0.747 121.092 120.400 -0.092 0.000 2.116 391 D HA -0.232 4.408 4.640 -0.001 0.000 0.193 391 D C 1.710 177.942 176.300 -0.114 0.000 0.998 391 D CA 1.697 55.639 54.000 -0.098 0.000 0.836 391 D CB -0.428 40.324 40.800 -0.080 0.000 0.951 391 D HN 0.667 nan 8.370 nan 0.000 0.449 392 E N 0.808 120.942 120.200 -0.111 0.000 2.097 392 E HA -0.254 4.096 4.350 -0.001 0.000 0.196 392 E C 1.234 177.729 176.600 -0.175 0.000 1.000 392 E CA 1.497 57.826 56.400 -0.119 0.000 0.804 392 E CB -0.219 29.422 29.700 -0.098 0.000 0.740 392 E HN 0.105 nan 8.360 nan 0.000 0.454 393 D N 0.678 120.935 120.400 -0.238 0.000 2.117 393 D HA -0.111 4.529 4.640 -0.001 0.000 0.197 393 D C 2.065 178.051 176.300 -0.523 0.000 0.987 393 D CA 0.971 54.702 54.000 -0.448 0.000 0.829 393 D CB -0.202 40.304 40.800 -0.490 0.000 0.961 393 D HN 0.177 nan 8.370 nan 0.000 0.460 394 L N 0.199 121.249 121.223 -0.288 0.000 2.012 394 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 394 L C 2.525 179.345 176.870 -0.083 0.000 1.073 394 L CA 0.930 55.683 54.840 -0.144 0.000 0.748 394 L CB -0.550 41.468 42.059 -0.069 0.000 0.891 394 L HN 0.086 nan 8.230 nan 0.000 0.431 395 L N -1.052 120.103 121.223 -0.114 0.000 2.010 395 L HA -0.321 4.019 4.340 -0.001 0.000 0.219 395 L C 2.461 179.284 176.870 -0.079 0.000 1.077 395 L CA 1.516 56.282 54.840 -0.124 0.000 0.773 395 L CB -0.440 41.521 42.059 -0.164 0.000 0.892 395 L HN 0.260 nan 8.230 nan 0.000 0.436 396 L N -1.935 119.269 121.223 -0.033 0.000 1.976 396 L HA -0.245 4.095 4.340 -0.001 0.000 0.209 396 L C 2.415 179.420 176.870 0.225 0.000 1.071 396 L CA 1.673 56.562 54.840 0.081 0.000 0.746 396 L CB -1.314 40.835 42.059 0.149 0.000 0.890 396 L HN 0.095 nan 8.230 nan 0.000 0.432 397 Y N -0.201 120.068 120.300 -0.051 0.000 2.274 397 Y HA -0.171 4.379 4.550 -0.001 0.000 0.290 397 Y C 2.422 178.317 175.900 -0.008 0.000 1.145 397 Y CA 0.176 58.254 58.100 -0.037 0.000 1.203 397 Y CB -0.910 37.532 38.460 -0.031 0.000 0.984 397 Y HN 0.108 nan 8.280 nan 0.000 0.533 398 L N 0.435 121.766 121.223 0.180 0.000 2.051 398 L HA -0.245 4.095 4.340 -0.001 0.000 0.214 398 L C 2.203 179.201 176.870 0.212 0.000 1.076 398 L CA 1.911 56.838 54.840 0.145 0.000 0.758 398 L CB -1.169 40.928 42.059 0.065 0.000 0.890 398 L HN 0.324 nan 8.230 nan 0.000 0.433 399 L N 0.665 122.035 121.223 0.246 0.000 2.043 399 L HA -0.256 4.083 4.340 -0.001 0.000 0.212 399 L C 2.557 179.484 176.870 0.095 0.000 1.075 399 L CA 1.976 56.960 54.840 0.239 0.000 0.752 399 L CB -0.962 41.133 42.059 0.060 0.000 0.891 399 L HN 0.361 nan 8.230 nan 0.000 0.432 400 Q N -0.999 118.821 119.800 0.033 0.000 2.119 400 Q HA -0.096 4.243 4.340 -0.001 0.000 0.201 400 Q C 2.052 178.068 176.000 0.026 0.000 0.972 400 Q CA 1.428 57.222 55.803 -0.014 0.000 0.847 400 Q CB -0.417 28.272 28.738 -0.082 0.000 0.903 400 Q HN 0.402 nan 8.270 nan 0.000 0.433 401 L N -0.727 120.536 121.223 0.067 0.000 2.079 401 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 401 L C 2.096 179.034 176.870 0.114 0.000 1.081 401 L CA 1.174 56.060 54.840 0.077 0.000 0.752 401 L CB -0.967 41.155 42.059 0.105 0.000 0.896 401 L HN 0.078 nan 8.230 nan 0.000 0.433 402 V N -0.862 119.145 119.914 0.155 0.000 2.287 402 V HA -0.295 3.825 4.120 -0.001 0.000 0.248 402 V C 2.631 178.814 176.094 0.148 0.000 1.053 402 V CA 1.455 63.828 62.300 0.123 0.000 1.027 402 V CB -0.527 31.392 31.823 0.160 0.000 0.646 402 V HN 0.499 nan 8.190 nan 0.000 0.447 403 Q N -0.138 119.763 119.800 0.168 0.000 2.124 403 Q HA -0.159 4.180 4.340 -0.001 0.000 0.202 403 Q C 2.434 178.554 176.000 0.200 0.000 0.977 403 Q CA 1.887 57.824 55.803 0.223 0.000 0.850 403 Q CB -0.738 28.063 28.738 0.104 0.000 0.901 403 Q HN 0.662 nan 8.270 nan 0.000 0.429 404 A N 0.920 123.774 122.820 0.057 0.000 2.024 404 A HA -0.134 4.186 4.320 -0.001 0.000 0.220 404 A C 2.220 179.879 177.584 0.124 0.000 1.164 404 A CA 0.890 52.878 52.037 -0.082 0.000 0.643 404 A CB -0.707 18.238 19.000 -0.092 0.000 0.806 404 A HN 0.331 nan 8.150 nan 0.000 0.451 405 L N -0.706 120.663 121.223 0.243 0.000 2.127 405 L HA -0.240 4.100 4.340 -0.001 0.000 0.211 405 L C 2.370 179.496 176.870 0.427 0.000 1.089 405 L CA 1.634 56.670 54.840 0.327 0.000 0.757 405 L CB -0.469 41.787 42.059 0.328 0.000 0.899 405 L HN 0.375 nan 8.230 nan 0.000 0.434 406 K N -0.640 120.059 120.400 0.499 0.000 2.286 406 K HA -0.137 4.182 4.320 -0.001 0.000 0.203 406 K C 0.191 176.975 176.600 0.305 0.000 1.045 406 K CA 0.974 57.463 56.287 0.336 0.000 0.935 406 K CB -0.205 32.474 32.500 0.299 0.000 0.737 406 K HN 0.262 nan 8.250 nan 0.000 0.460 407 Y N 1.073 121.437 120.300 0.106 0.000 2.307 407 Y HA 0.201 4.750 4.550 -0.001 0.000 0.324 407 Y C 1.196 177.159 175.900 0.104 0.000 1.238 407 Y CA -1.009 57.146 58.100 0.091 0.000 1.280 407 Y CB 0.454 38.966 38.460 0.086 0.000 1.248 407 Y HN 0.065 nan 8.280 nan 0.000 0.508 408 E N 1.167 121.507 120.200 0.233 0.000 2.461 408 E HA -0.049 4.300 4.350 -0.001 0.000 0.263 408 E C -0.878 175.852 176.600 0.218 0.000 1.143 408 E CA 0.221 56.743 56.400 0.205 0.000 0.994 408 E CB 0.260 30.061 29.700 0.170 0.000 0.973 408 E HN 0.591 nan 8.360 nan 0.000 0.457 409 D N 0.571 121.208 120.400 0.396 0.000 2.256 409 D HA 0.356 4.996 4.640 -0.001 0.000 0.246 409 D C -1.928 174.575 176.300 0.337 0.000 1.042 409 D CA -2.317 51.944 54.000 0.435 0.000 0.841 409 D CB 1.900 42.953 40.800 0.421 0.000 1.223 409 D HN 0.013 nan 8.370 nan 0.000 0.470 410 P HA -0.131 nan 4.420 nan 0.000 0.217 410 P C 1.144 178.512 177.300 0.114 0.000 1.151 410 P CA 1.294 64.474 63.100 0.133 0.000 0.849 410 P CB 0.298 32.044 31.700 0.077 0.000 0.787 411 R N -1.392 119.140 120.500 0.053 0.000 2.103 411 R HA -0.191 4.148 4.340 -0.001 0.000 0.242 411 R C 2.294 178.631 176.300 0.061 0.000 1.142 411 R CA 1.647 57.758 56.100 0.018 0.000 0.960 411 R CB -1.081 29.167 30.300 -0.087 0.000 0.858 411 R HN 0.439 nan 8.270 nan 0.000 0.439 412 H N -0.128 119.030 119.070 0.148 0.000 2.421 412 H HA -0.062 4.493 4.556 -0.001 0.000 0.298 412 H C 1.914 177.344 175.328 0.170 0.000 1.087 412 H CA 1.524 57.660 56.048 0.146 0.000 1.330 412 H CB -0.071 29.758 29.762 0.111 0.000 1.388 412 H HN 0.160 nan 8.280 nan 0.000 0.526 413 I N 0.036 120.772 120.570 0.278 0.000 2.277 413 I HA -0.197 3.972 4.170 -0.001 0.000 0.243 413 I C 2.540 178.786 176.117 0.215 0.000 1.094 413 I CA 0.870 62.312 61.300 0.238 0.000 1.393 413 I CB -0.278 37.850 38.000 0.215 0.000 1.078 413 I HN 0.234 nan 8.210 nan 0.000 0.417 414 V N -0.659 119.341 119.914 0.144 0.000 2.332 414 V HA -0.313 3.807 4.120 -0.001 0.000 0.248 414 V C 2.414 178.539 176.094 0.051 0.000 1.055 414 V CA 1.954 64.286 62.300 0.053 0.000 1.038 414 V CB -0.997 30.793 31.823 -0.055 0.000 0.651 414 V HN 0.438 nan 8.190 nan 0.000 0.450 415 H N -0.673 118.466 119.070 0.116 0.000 2.395 415 H HA 0.034 4.590 4.556 -0.001 0.000 0.299 415 H C 2.237 177.653 175.328 0.148 0.000 1.070 415 H CA 2.069 58.183 56.048 0.110 0.000 1.356 415 H CB 0.159 29.962 29.762 0.068 0.000 1.401 415 H HN 0.469 nan 8.280 nan 0.000 0.524 416 L N 0.288 121.680 121.223 0.281 0.000 2.046 416 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 416 L C 2.483 179.514 176.870 0.268 0.000 1.077 416 L CA 1.779 56.760 54.840 0.235 0.000 0.747 416 L CB -0.678 41.510 42.059 0.216 0.000 0.896 416 L HN 0.267 nan 8.230 nan 0.000 0.432 417 H N -1.425 117.771 119.070 0.209 0.000 2.293 417 H HA -0.107 4.449 4.556 -0.001 0.000 0.300 417 H C 2.075 177.606 175.328 0.337 0.000 1.082 417 H CA 1.490 57.704 56.048 0.277 0.000 1.308 417 H CB -0.344 29.506 29.762 0.148 0.000 1.375 417 H HN 0.406 nan 8.280 nan 0.000 0.495 418 G N -0.384 108.657 108.800 0.400 0.000 2.485 418 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.221 418 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.221 418 G C 1.843 176.889 174.900 0.243 0.000 1.115 418 G CA 0.943 46.207 45.100 0.273 0.000 0.751 418 G HN 0.568 nan 8.290 nan 0.000 0.567 419 C N 0.402 119.828 119.300 0.209 0.000 2.437 419 C HA 0.176 4.635 4.460 -0.001 0.000 0.283 419 C C 1.769 176.759 174.990 0.000 0.000 1.424 419 C CA 0.268 59.354 59.018 0.114 0.000 1.782 419 C CB -0.646 27.161 27.740 0.113 0.000 1.833 419 C HN 0.435 nan 8.230 nan 0.000 0.532 420 I N -1.574 118.948 120.570 -0.080 0.000 3.947 420 I HA 0.378 4.548 4.170 -0.001 0.000 0.327 420 I C -0.262 175.206 176.117 -1.082 0.000 1.519 420 I CA 0.313 61.267 61.300 -0.577 0.000 1.122 420 I CB -1.077 36.462 38.000 -0.768 0.000 1.146 420 I HN 0.096 nan 8.210 nan 0.000 0.442 533 L N 3.455 124.655 121.223 -0.039 0.000 1.994 533 L HA -0.048 4.291 4.340 -0.001 0.000 0.208 533 L C 2.617 179.571 176.870 0.141 0.000 1.071 533 L CA 2.513 57.362 54.840 0.016 0.000 0.745 533 L CB -0.878 41.168 42.059 -0.021 0.000 0.892 533 L HN 0.831 nan 8.230 nan 0.000 0.431 534 C N -1.549 117.826 119.300 0.125 0.000 2.413 534 C HA -0.169 4.291 4.460 -0.001 0.000 0.276 534 C C 2.879 177.959 174.990 0.150 0.000 1.236 534 C CA 1.229 60.342 59.018 0.159 0.000 1.735 534 C CB -2.390 25.456 27.740 0.177 0.000 2.031 534 C HN 0.745 nan 8.230 nan 0.000 0.474 535 T N -0.155 114.486 114.554 0.145 0.000 2.699 535 T HA -0.292 4.057 4.350 -0.001 0.000 0.268 535 T C 1.524 176.284 174.700 0.101 0.000 1.036 535 T CA 1.934 64.108 62.100 0.123 0.000 1.147 535 T CB -0.946 67.991 68.868 0.115 0.000 0.862 535 T HN 0.657 nan 8.240 nan 0.000 0.446 536 F N 1.903 121.833 119.950 -0.032 0.000 2.113 536 F HA 0.163 4.690 4.527 -0.001 0.000 0.297 536 F C 2.047 177.769 175.800 -0.130 0.000 1.103 536 F CA 0.791 58.749 58.000 -0.069 0.000 1.248 536 F CB -0.545 38.412 39.000 -0.072 0.000 0.999 536 F HN 0.097 nan 8.300 nan 0.000 0.475 537 L N 0.169 121.363 121.223 -0.049 0.000 2.042 537 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 537 L C 2.467 178.944 176.870 -0.655 0.000 1.076 537 L CA 1.671 56.256 54.840 -0.426 0.000 0.749 537 L CB -0.636 41.236 42.059 -0.311 0.000 0.893 537 L HN 0.236 nan 8.230 nan 0.000 0.432 538 I N -0.769 119.612 120.570 -0.315 0.000 2.113 538 I HA -0.367 3.802 4.170 -0.001 0.000 0.238 538 I C 2.701 178.762 176.117 -0.093 0.000 1.070 538 I CA 1.583 62.823 61.300 -0.100 0.000 1.332 538 I CB -0.512 37.577 38.000 0.148 0.000 1.044 538 I HN 0.347 nan 8.210 nan 0.000 0.402 539 Q N 1.231 120.952 119.800 -0.133 0.000 2.077 539 Q HA -0.262 4.077 4.340 -0.001 0.000 0.206 539 Q C 2.384 178.249 176.000 -0.225 0.000 0.989 539 Q CA 1.869 57.588 55.803 -0.139 0.000 0.853 539 Q CB -0.079 28.573 28.738 -0.143 0.000 0.907 539 Q HN 0.413 nan 8.270 nan 0.000 0.418 540 R N -0.505 119.731 120.500 -0.439 0.000 2.148 540 R HA -0.011 4.329 4.340 -0.001 0.000 0.223 540 R C 2.241 178.353 176.300 -0.314 0.000 1.088 540 R CA 0.729 56.563 56.100 -0.443 0.000 0.985 540 R CB -0.184 29.681 30.300 -0.725 0.000 0.880 540 R HN 0.357 nan 8.270 nan 0.000 0.451 541 A N 0.731 123.345 122.820 -0.343 0.000 1.902 541 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 541 A C 2.369 179.985 177.584 0.054 0.000 1.181 541 A CA 1.345 53.265 52.037 -0.195 0.000 0.623 541 A CB -0.658 18.124 19.000 -0.363 0.000 0.818 541 A HN 0.415 nan 8.150 nan 0.000 0.443 542 C N -1.130 118.223 119.300 0.089 0.000 2.435 542 C HA -0.031 4.428 4.460 -0.001 0.000 0.279 542 C C 2.914 177.914 174.990 0.017 0.000 1.321 542 C CA 1.253 60.325 59.018 0.091 0.000 1.752 542 C CB -1.570 26.215 27.740 0.076 0.000 1.959 542 C HN 0.620 nan 8.230 nan 0.000 0.500 543 T N 0.931 115.464 114.554 -0.036 0.000 2.746 543 T HA -0.112 4.237 4.350 -0.001 0.000 0.267 543 T C 0.784 175.465 174.700 -0.031 0.000 1.039 543 T CA 1.341 63.412 62.100 -0.048 0.000 1.142 543 T CB -0.270 68.545 68.868 -0.089 0.000 0.866 543 T HN 0.577 nan 8.240 nan 0.000 0.444 544 N N -0.096 118.585 118.700 -0.032 0.000 2.354 544 N HA 0.464 5.204 4.740 -0.001 0.000 0.287 544 N C 0.656 176.174 175.510 0.014 0.000 1.016 544 N CA 0.083 53.123 53.050 -0.017 0.000 0.871 544 N CB 1.855 40.320 38.487 -0.038 0.000 1.299 544 N HN 0.053 nan 8.380 nan 0.000 0.482 545 A N 2.773 125.604 122.820 0.019 0.000 1.858 545 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 545 A C 2.076 179.679 177.584 0.031 0.000 1.190 545 A CA 2.669 54.723 52.037 0.029 0.000 0.617 545 A CB -1.364 17.648 19.000 0.019 0.000 0.827 545 A HN 0.855 nan 8.150 nan 0.000 0.443 546 T N -1.158 113.412 114.554 0.026 0.000 2.684 546 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 546 T C 1.882 176.671 174.700 0.149 0.000 1.036 546 T CA 1.699 63.836 62.100 0.061 0.000 1.148 546 T CB -0.594 68.328 68.868 0.090 0.000 0.863 546 T HN 0.271 nan 8.240 nan 0.000 0.436 547 L N 0.905 122.191 121.223 0.105 0.000 2.013 547 L HA -0.082 4.258 4.340 -0.001 0.000 0.212 547 L C 3.283 180.210 176.870 0.095 0.000 1.073 547 L CA 1.714 56.600 54.840 0.078 0.000 0.753 547 L CB -0.809 41.230 42.059 -0.033 0.000 0.890 547 L HN 0.496 nan 8.230 nan 0.000 0.432 548 A N -0.016 122.869 122.820 0.108 0.000 1.908 548 A HA -0.308 4.011 4.320 -0.001 0.000 0.218 548 A C 2.044 179.759 177.584 0.217 0.000 1.181 548 A CA 2.212 54.392 52.037 0.239 0.000 0.627 548 A CB -1.107 18.058 19.000 0.275 0.000 0.818 548 A HN 0.721 nan 8.150 nan 0.000 0.445 549 N N -1.943 116.807 118.700 0.083 0.000 2.084 549 N HA -0.242 4.498 4.740 -0.001 0.000 0.190 549 N C 1.774 177.298 175.510 0.024 0.000 1.030 549 N CA 1.765 54.813 53.050 -0.004 0.000 0.849 549 N CB -0.386 38.049 38.487 -0.087 0.000 1.012 549 N HN 0.481 nan 8.380 nan 0.000 0.423 550 Y N 0.011 120.335 120.300 0.039 0.000 2.163 550 Y HA -0.111 4.439 4.550 -0.001 0.000 0.288 550 Y C 2.262 177.882 175.900 -0.467 0.000 1.136 550 Y CA 1.175 59.144 58.100 -0.218 0.000 1.147 550 Y CB -0.812 37.446 38.460 -0.338 0.000 0.987 550 Y HN 0.091 nan 8.280 nan 0.000 0.509 551 F N -0.291 119.501 119.950 -0.263 0.000 2.091 551 F HA -0.354 4.172 4.527 -0.001 0.000 0.299 551 F C 2.448 178.125 175.800 -0.204 0.000 1.103 551 F CA 1.603 59.414 58.000 -0.314 0.000 1.228 551 F CB -1.221 37.548 39.000 -0.386 0.000 0.984 551 F HN 0.194 nan 8.300 nan 0.000 0.477 552 Y N -1.059 119.111 120.300 -0.216 0.000 2.145 552 Y HA -0.254 4.295 4.550 -0.001 0.000 0.286 552 Y C 2.162 177.911 175.900 -0.252 0.000 1.145 552 Y CA 1.946 59.877 58.100 -0.282 0.000 1.148 552 Y CB -1.122 37.184 38.460 -0.257 0.000 0.981 552 Y HN 0.141 nan 8.280 nan 0.000 0.507 553 W N -1.328 119.923 121.300 -0.081 0.000 2.402 553 W HA -0.225 4.434 4.660 -0.001 0.000 0.286 553 W C 1.864 178.443 176.519 0.100 0.000 1.221 553 W CA 0.785 58.110 57.345 -0.034 0.000 1.257 553 W CB -0.339 29.226 29.460 0.174 0.000 1.120 553 W HN 0.114 nan 8.180 nan 0.000 0.551 554 Y N -0.171 120.174 120.300 0.075 0.000 2.263 554 Y HA -0.091 4.458 4.550 -0.001 0.000 0.292 554 Y C 2.203 178.008 175.900 -0.159 0.000 1.130 554 Y CA 0.530 58.626 58.100 -0.005 0.000 1.179 554 Y CB -1.258 37.206 38.460 0.007 0.000 0.998 554 Y HN -0.053 nan 8.280 nan 0.000 0.532 555 L N -0.567 120.543 121.223 -0.188 0.000 2.072 555 L HA -0.133 4.206 4.340 -0.001 0.000 0.205 555 L C 2.529 179.258 176.870 -0.235 0.000 1.079 555 L CA 1.552 56.186 54.840 -0.343 0.000 0.752 555 L CB -1.072 40.639 42.059 -0.579 0.000 0.906 555 L HN 0.226 nan 8.230 nan 0.000 0.436 556 S N 0.344 115.846 115.700 -0.330 0.000 2.400 556 S HA -0.205 4.264 4.470 -0.001 0.000 0.232 556 S C 1.956 176.531 174.600 -0.042 0.000 1.025 556 S CA 1.057 59.100 58.200 -0.262 0.000 0.993 556 S CB -0.524 62.415 63.200 -0.435 0.000 0.808 556 S HN 0.382 nan 8.310 nan 0.000 0.478 557 I N 0.970 121.555 120.570 0.025 0.000 2.439 557 I HA -0.050 4.120 4.170 -0.001 0.000 0.251 557 I C 2.368 178.521 176.117 0.060 0.000 1.139 557 I CA 1.073 62.406 61.300 0.054 0.000 1.438 557 I CB -0.101 37.934 38.000 0.059 0.000 1.085 557 I HN 0.285 nan 8.210 nan 0.000 0.427 558 E N 0.018 120.268 120.200 0.083 0.000 2.216 558 E HA -0.125 4.224 4.350 -0.001 0.000 0.192 558 E C 2.180 178.852 176.600 0.121 0.000 0.988 558 E CA 1.293 57.802 56.400 0.181 0.000 0.834 558 E CB -0.196 29.791 29.700 0.477 0.000 0.772 558 E HN 0.502 nan 8.360 nan 0.000 0.479 559 V N 0.118 120.052 119.914 0.033 0.000 2.788 559 V HA -0.029 4.090 4.120 -0.001 0.000 0.251 559 V C 1.323 177.450 176.094 0.056 0.000 1.068 559 V CA 0.606 62.867 62.300 -0.065 0.000 1.090 559 V CB -0.749 31.008 31.823 -0.110 0.000 0.710 559 V HN 0.180 nan 8.190 nan 0.000 0.467 569 D N 0.551 120.925 120.400 -0.043 0.000 2.355 569 D HA -0.000 4.639 4.640 -0.001 0.000 0.218 569 D C 0.733 177.011 176.300 -0.038 0.000 1.004 569 D CA 0.444 54.416 54.000 -0.047 0.000 0.880 569 D CB 0.421 41.198 40.800 -0.038 0.000 0.911 569 D HN 0.510 nan 8.370 nan 0.000 0.528 570 E N 0.647 120.816 120.200 -0.052 0.000 2.110 570 E HA -0.104 4.246 4.350 -0.001 0.000 0.193 570 E C 1.960 178.542 176.600 -0.029 0.000 0.988 570 E CA 0.672 57.018 56.400 -0.089 0.000 0.804 570 E CB 0.098 29.729 29.700 -0.116 0.000 0.745 570 E HN 0.202 nan 8.360 nan 0.000 0.458 571 R N 0.314 120.803 120.500 -0.018 0.000 2.115 571 R HA 0.031 4.371 4.340 -0.001 0.000 0.226 571 R C 2.266 178.572 176.300 0.010 0.000 1.100 571 R CA 0.899 57.002 56.100 0.005 0.000 0.980 571 R CB -0.088 30.204 30.300 -0.014 0.000 0.875 571 R HN 0.087 nan 8.270 nan 0.000 0.445 572 A N 0.544 123.342 122.820 -0.037 0.000 1.929 572 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 572 A C 1.903 179.376 177.584 -0.185 0.000 1.176 572 A CA 1.474 53.430 52.037 -0.134 0.000 0.628 572 A CB -0.655 18.228 19.000 -0.194 0.000 0.816 572 A HN 0.542 nan 8.150 nan 0.000 0.444 573 H N -0.334 118.631 119.070 -0.176 0.000 2.319 573 H HA -0.167 4.388 4.556 -0.001 0.000 0.299 573 H C 1.617 176.943 175.328 -0.004 0.000 1.092 573 H CA 1.807 57.799 56.048 -0.093 0.000 1.302 573 H CB -0.151 29.588 29.762 -0.039 0.000 1.373 573 H HN 0.327 nan 8.280 nan 0.000 0.497 574 D N 0.729 121.384 120.400 0.425 0.000 2.106 574 D HA -0.214 4.426 4.640 -0.001 0.000 0.191 574 D C 2.348 178.710 176.300 0.103 0.000 0.997 574 D CA 1.459 55.656 54.000 0.328 0.000 0.834 574 D CB -0.445 40.480 40.800 0.208 0.000 0.956 574 D HN 0.422 nan 8.370 nan 0.000 0.448 575 M N -0.142 119.519 119.600 0.101 0.000 2.082 575 M HA -0.241 4.239 4.480 -0.001 0.000 0.258 575 M C 1.925 178.367 176.300 0.236 0.000 1.069 575 M CA 1.654 57.041 55.300 0.145 0.000 1.102 575 M CB -1.136 31.545 32.600 0.136 0.000 1.336 575 M HN 0.232 nan 8.290 nan 0.000 0.404 576 Y N 0.141 120.432 120.300 -0.016 0.000 2.224 576 Y HA -0.219 4.331 4.550 -0.001 0.000 0.289 576 Y C 2.588 178.431 175.900 -0.096 0.000 1.146 576 Y CA 0.807 58.876 58.100 -0.053 0.000 1.182 576 Y CB -0.338 38.074 38.460 -0.081 0.000 0.983 576 Y HN 0.483 nan 8.280 nan 0.000 0.524 577 A N 0.511 123.327 122.820 -0.007 0.000 1.883 577 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 577 A C 2.155 179.763 177.584 0.040 0.000 1.186 577 A CA 1.928 53.927 52.037 -0.063 0.000 0.624 577 A CB -0.608 18.296 19.000 -0.161 0.000 0.822 577 A HN 0.339 nan 8.150 nan 0.000 0.444 578 M N -0.443 119.220 119.600 0.105 0.000 2.080 578 M HA -0.083 4.396 4.480 -0.001 0.000 0.260 578 M C 2.161 178.563 176.300 0.169 0.000 1.068 578 M CA 1.334 56.758 55.300 0.206 0.000 1.109 578 M CB -1.826 30.966 32.600 0.321 0.000 1.342 578 M HN 0.162 nan 8.290 nan 0.000 0.405 579 V N 0.977 120.982 119.914 0.151 0.000 2.343 579 V HA -0.230 3.889 4.120 -0.001 0.000 0.247 579 V C 2.600 178.756 176.094 0.103 0.000 1.051 579 V CA 1.497 63.877 62.300 0.134 0.000 1.036 579 V CB -0.626 31.258 31.823 0.102 0.000 0.654 579 V HN 0.432 nan 8.190 nan 0.000 0.451 580 L N -0.457 120.780 121.223 0.023 0.000 2.017 580 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 580 L C 2.559 179.522 176.870 0.155 0.000 1.073 580 L CA 1.858 56.717 54.840 0.033 0.000 0.745 580 L CB -0.251 41.768 42.059 -0.066 0.000 0.894 580 L HN 0.195 nan 8.230 nan 0.000 0.432 581 K N -0.485 119.977 120.400 0.102 0.000 2.097 581 K HA -0.139 4.181 4.320 -0.001 0.000 0.206 581 K C 1.998 178.682 176.600 0.139 0.000 1.049 581 K CA 1.913 58.259 56.287 0.097 0.000 0.933 581 K CB -0.226 32.298 32.500 0.039 0.000 0.717 581 K HN 0.313 nan 8.250 nan 0.000 0.442 582 M N -0.730 118.959 119.600 0.148 0.000 2.080 582 M HA -0.165 4.315 4.480 -0.001 0.000 0.260 582 M C 1.981 178.418 176.300 0.229 0.000 1.068 582 M CA 1.597 57.015 55.300 0.196 0.000 1.109 582 M CB -0.519 32.191 32.600 0.184 0.000 1.342 582 M HN 0.103 nan 8.290 nan 0.000 0.405 583 F N 1.853 121.876 119.950 0.122 0.000 2.120 583 F HA -0.199 4.328 4.527 -0.001 0.000 0.300 583 F C 1.892 177.780 175.800 0.146 0.000 1.095 583 F CA 1.581 59.670 58.000 0.149 0.000 1.249 583 F CB -0.360 38.752 39.000 0.187 0.000 0.995 583 F HN -0.002 nan 8.300 nan 0.000 0.480 584 L N -0.357 120.842 121.223 -0.040 0.000 2.156 584 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 584 L C 2.382 179.310 176.870 0.097 0.000 1.095 584 L CA 1.302 56.101 54.840 -0.067 0.000 0.770 584 L CB -0.843 41.232 42.059 0.027 0.000 0.914 584 L HN 0.082 nan 8.230 nan 0.000 0.439 585 K N 0.665 121.122 120.400 0.095 0.000 2.057 585 K HA -0.125 4.195 4.320 -0.001 0.000 0.206 585 K C 1.950 178.546 176.600 -0.008 0.000 1.050 585 K CA 1.152 57.483 56.287 0.073 0.000 0.935 585 K CB -0.497 32.087 32.500 0.141 0.000 0.715 585 K HN 0.096 nan 8.250 nan 0.000 0.439 586 V N 0.527 120.439 119.914 -0.004 0.000 2.515 586 V HA -0.145 3.975 4.120 -0.001 0.000 0.250 586 V C 1.805 177.862 176.094 -0.061 0.000 1.058 586 V CA 1.487 63.772 62.300 -0.026 0.000 1.064 586 V CB -0.218 31.621 31.823 0.027 0.000 0.675 586 V HN 0.335 nan 8.190 nan 0.000 0.461 587 L N -0.184 120.985 121.223 -0.090 0.000 2.083 587 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 587 L C 2.641 179.420 176.870 -0.152 0.000 1.083 587 L CA 2.148 56.944 54.840 -0.073 0.000 0.752 587 L CB -0.687 41.368 42.059 -0.008 0.000 0.899 587 L HN 0.414 nan 8.230 nan 0.000 0.433 588 E N 0.186 120.229 120.200 -0.261 0.000 2.028 588 E HA -0.176 4.174 4.350 -0.001 0.000 0.191 588 E C 1.714 178.170 176.600 -0.241 0.000 0.988 588 E CA 1.046 57.174 56.400 -0.453 0.000 0.799 588 E CB -0.129 29.327 29.700 -0.406 0.000 0.755 588 E HN 0.393 nan 8.360 nan 0.000 0.447 589 N N 0.887 119.493 118.700 -0.157 0.000 2.588 589 N HA -0.062 4.677 4.740 -0.001 0.000 0.190 589 N C 0.493 175.948 175.510 -0.092 0.000 1.094 589 N CA 0.706 53.688 53.050 -0.113 0.000 0.921 589 N CB -0.481 37.946 38.487 -0.099 0.000 0.959 589 N HN 0.086 nan 8.380 nan 0.000 0.448 590 G N 0.642 109.387 108.800 -0.091 0.000 2.614 590 G HA2 0.060 4.019 3.960 -0.001 0.000 0.239 590 G HA3 0.060 4.019 3.960 -0.001 0.000 0.239 590 G C 0.296 175.178 174.900 -0.030 0.000 1.240 590 G CA -0.469 44.601 45.100 -0.051 0.000 0.842 590 G HN 0.412 nan 8.290 nan 0.000 0.584 591 N N -0.118 118.569 118.700 -0.021 0.000 2.482 591 N HA 0.055 4.795 4.740 -0.001 0.000 0.260 591 N C 1.227 176.804 175.510 0.112 0.000 1.236 591 N CA -0.326 52.716 53.050 -0.013 0.000 0.938 591 N CB 0.336 38.802 38.487 -0.035 0.000 1.128 591 N HN 0.505 nan 8.380 nan 0.000 0.448 592 F N -0.161 119.766 119.950 -0.038 0.000 2.071 592 F HA -0.432 4.095 4.527 -0.001 0.000 0.291 592 F C 1.773 177.561 175.800 -0.020 0.000 1.070 592 F CA 1.377 59.359 58.000 -0.030 0.000 1.262 592 F CB -0.211 38.773 39.000 -0.026 0.000 0.983 592 F HN 0.616 nan 8.300 nan 0.000 0.493 593 N N 0.234 119.040 118.700 0.177 0.000 2.250 593 N HA -0.065 4.674 4.740 -0.001 0.000 0.181 593 N C 1.910 177.456 175.510 0.061 0.000 1.017 593 N CA 0.775 53.875 53.050 0.083 0.000 0.866 593 N CB -0.368 38.157 38.487 0.064 0.000 0.985 593 N HN 0.294 nan 8.380 nan 0.000 0.429 594 L N 1.149 122.406 121.223 0.057 0.000 1.989 594 L HA -0.149 4.190 4.340 -0.001 0.000 0.211 594 L C 2.326 179.228 176.870 0.054 0.000 1.071 594 L CA 1.429 56.292 54.840 0.037 0.000 0.749 594 L CB -0.555 41.511 42.059 0.011 0.000 0.890 594 L HN 0.138 nan 8.230 nan 0.000 0.431 595 R N 0.375 120.904 120.500 0.048 0.000 2.127 595 R HA -0.108 4.232 4.340 -0.001 0.000 0.238 595 R C 2.361 178.725 176.300 0.107 0.000 1.134 595 R CA 1.228 57.349 56.100 0.034 0.000 0.975 595 R CB -1.120 29.188 30.300 0.013 0.000 0.865 595 R HN 0.416 nan 8.270 nan 0.000 0.447 596 G N 1.382 110.221 108.800 0.065 0.000 2.422 596 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.218 596 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.218 596 G C 1.315 176.259 174.900 0.075 0.000 1.146 596 G CA 0.517 45.639 45.100 0.036 0.000 0.769 596 G HN 0.079 nan 8.290 nan 0.000 0.547 597 I N 0.151 120.765 120.570 0.072 0.000 2.286 597 I HA 0.023 4.193 4.170 -0.001 0.000 0.245 597 I C 2.373 178.512 176.117 0.037 0.000 1.104 597 I CA 0.247 61.574 61.300 0.045 0.000 1.397 597 I CB -1.178 36.840 38.000 0.031 0.000 1.072 597 I HN 0.257 nan 8.210 nan 0.000 0.417 598 F N 0.966 120.854 119.950 -0.103 0.000 2.065 598 F HA -0.358 4.169 4.527 -0.001 0.000 0.298 598 F C 2.813 178.564 175.800 -0.082 0.000 1.112 598 F CA 1.895 59.801 58.000 -0.157 0.000 1.212 598 F CB -0.717 38.188 39.000 -0.159 0.000 0.975 598 F HN 0.055 nan 8.300 nan 0.000 0.476 599 Y N 1.045 121.559 120.300 0.356 0.000 2.165 599 Y HA -0.342 4.208 4.550 -0.001 0.000 0.286 599 Y C 2.431 178.317 175.900 -0.024 0.000 1.155 599 Y CA 1.382 59.600 58.100 0.198 0.000 1.164 599 Y CB -0.400 38.127 38.460 0.111 0.000 0.978 599 Y HN 0.139 nan 8.280 nan 0.000 0.513 600 N N 0.639 119.454 118.700 0.193 0.000 2.104 600 N HA -0.211 4.528 4.740 -0.001 0.000 0.190 600 N C 1.828 177.302 175.510 -0.060 0.000 1.024 600 N CA 1.526 54.607 53.050 0.051 0.000 0.853 600 N CB -0.493 38.004 38.487 0.018 0.000 1.008 600 N HN 0.405 nan 8.380 nan 0.000 0.424 601 L N 0.700 121.777 121.223 -0.245 0.000 2.017 601 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 601 L C 2.545 179.133 176.870 -0.470 0.000 1.073 601 L CA 1.053 55.576 54.840 -0.529 0.000 0.745 601 L CB -0.263 41.237 42.059 -0.931 0.000 0.894 601 L HN 0.161 nan 8.230 nan 0.000 0.432 602 R N -0.033 120.210 120.500 -0.429 0.000 2.091 602 R HA -0.184 4.155 4.340 -0.001 0.000 0.238 602 R C 2.332 178.601 176.300 -0.052 0.000 1.136 602 R CA 1.356 57.289 56.100 -0.278 0.000 0.959 602 R CB -0.179 29.945 30.300 -0.294 0.000 0.856 602 R HN 0.369 nan 8.270 nan 0.000 0.437 603 K N 0.450 120.889 120.400 0.065 0.000 2.057 603 K HA -0.160 4.160 4.320 -0.001 0.000 0.206 603 K C 2.202 178.872 176.600 0.117 0.000 1.050 603 K CA 1.244 57.611 56.287 0.134 0.000 0.935 603 K CB -0.024 32.574 32.500 0.163 0.000 0.715 603 K HN 0.278 nan 8.250 nan 0.000 0.439 604 Q N 0.295 120.151 119.800 0.093 0.000 2.030 604 Q HA -0.215 4.125 4.340 -0.001 0.000 0.204 604 Q C 2.267 178.476 176.000 0.348 0.000 0.986 604 Q CA 1.632 57.561 55.803 0.211 0.000 0.843 604 Q CB -0.167 28.729 28.738 0.263 0.000 0.904 604 Q HN 0.225 nan 8.270 nan 0.000 0.420 605 R N 0.652 121.303 120.500 0.252 0.000 2.094 605 R HA -0.170 4.170 4.340 -0.001 0.000 0.239 605 R C 2.294 178.750 176.300 0.260 0.000 1.137 605 R CA 1.511 57.805 56.100 0.322 0.000 0.943 605 R CB -0.065 30.339 30.300 0.173 0.000 0.850 605 R HN 0.121 nan 8.270 nan 0.000 0.433 606 R N -0.446 120.150 120.500 0.160 0.000 2.113 606 R HA -0.224 4.116 4.340 -0.001 0.000 0.244 606 R C 2.273 178.630 176.300 0.096 0.000 1.142 606 R CA 2.082 58.246 56.100 0.106 0.000 0.953 606 R CB -0.749 29.595 30.300 0.074 0.000 0.860 606 R HN 0.322 nan 8.270 nan 0.000 0.438 607 F N 1.513 121.451 119.950 -0.021 0.000 2.095 607 F HA -0.226 4.301 4.527 -0.001 0.000 0.298 607 F C 2.150 177.965 175.800 0.026 0.000 1.104 607 F CA 1.297 59.236 58.000 -0.102 0.000 1.232 607 F CB -0.130 38.775 39.000 -0.159 0.000 0.987 607 F HN -0.119 nan 8.300 nan 0.000 0.475 608 I N 0.924 121.698 120.570 0.338 0.000 2.163 608 I HA -0.292 3.878 4.170 -0.001 0.000 0.243 608 I C 1.980 178.149 176.117 0.087 0.000 1.085 608 I CA 1.524 63.007 61.300 0.305 0.000 1.347 608 I CB -1.584 36.731 38.000 0.526 0.000 1.044 608 I HN 0.159 nan 8.210 nan 0.000 0.408 609 D N 0.508 120.969 120.400 0.102 0.000 2.178 609 D HA -0.159 4.481 4.640 -0.001 0.000 0.201 609 D C 2.133 178.382 176.300 -0.085 0.000 0.980 609 D CA 0.825 54.849 54.000 0.040 0.000 0.842 609 D CB -0.105 40.745 40.800 0.082 0.000 0.948 609 D HN 0.259 nan 8.370 nan 0.000 0.472 610 E N 0.213 120.314 120.200 -0.166 0.000 2.107 610 E HA -0.015 4.335 4.350 -0.001 0.000 0.191 610 E C 2.235 178.615 176.600 -0.367 0.000 0.982 610 E CA 0.077 56.310 56.400 -0.279 0.000 0.809 610 E CB -0.284 29.212 29.700 -0.339 0.000 0.756 610 E HN 0.312 nan 8.360 nan 0.000 0.459 611 L N 0.340 121.337 121.223 -0.377 0.000 2.156 611 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 611 L C 2.126 178.709 176.870 -0.478 0.000 1.095 611 L CA 0.534 55.005 54.840 -0.614 0.000 0.770 611 L CB 0.030 41.650 42.059 -0.731 0.000 0.914 611 L HN 0.008 nan 8.230 nan 0.000 0.439 612 V N -0.154 119.591 119.914 -0.283 0.000 2.307 612 V HA -0.296 3.824 4.120 -0.001 0.000 0.245 612 V C 2.398 178.403 176.094 -0.148 0.000 1.045 612 V CA 1.730 63.940 62.300 -0.151 0.000 1.024 612 V CB -0.586 31.130 31.823 -0.179 0.000 0.651 612 V HN 0.423 nan 8.190 nan 0.000 0.449 613 K N -0.050 120.239 120.400 -0.186 0.000 2.026 613 K HA -0.182 4.138 4.320 -0.001 0.000 0.208 613 K C 2.167 178.697 176.600 -0.116 0.000 1.048 613 K CA 1.578 57.803 56.287 -0.103 0.000 0.929 613 K CB -0.539 31.942 32.500 -0.031 0.000 0.713 613 K HN 0.337 nan 8.250 nan 0.000 0.439 614 L N 1.356 122.314 121.223 -0.443 0.000 2.013 614 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 614 L C 1.989 178.721 176.870 -0.229 0.000 1.073 614 L CA 1.687 56.295 54.840 -0.387 0.000 0.753 614 L CB -0.827 40.733 42.059 -0.832 0.000 0.890 614 L HN -0.086 nan 8.230 nan 0.000 0.432 615 V N 0.253 120.051 119.914 -0.194 0.000 2.295 615 V HA -0.302 3.818 4.120 -0.001 0.000 0.246 615 V C 2.732 178.837 176.094 0.018 0.000 1.049 615 V CA 2.174 64.482 62.300 0.012 0.000 1.024 615 V CB -0.802 31.145 31.823 0.208 0.000 0.648 615 V HN 0.495 nan 8.190 nan 0.000 0.447 616 K N -0.210 120.187 120.400 -0.005 0.000 2.074 616 K HA -0.184 4.135 4.320 -0.001 0.000 0.209 616 K C 2.052 178.657 176.600 0.008 0.000 1.048 616 K CA 1.567 57.853 56.287 -0.002 0.000 0.926 616 K CB -0.366 32.137 32.500 0.005 0.000 0.713 616 K HN 0.398 nan 8.250 nan 0.000 0.444 617 L N 0.309 121.546 121.223 0.023 0.000 2.217 617 L HA -0.112 4.228 4.340 -0.001 0.000 0.211 617 L C 2.314 179.196 176.870 0.020 0.000 1.107 617 L CA 0.368 55.227 54.840 0.032 0.000 0.783 617 L CB -0.224 41.878 42.059 0.073 0.000 0.919 617 L HN -0.027 nan 8.230 nan 0.000 0.442 618 V N 0.071 119.995 119.914 0.016 0.000 2.453 618 V HA -0.201 3.919 4.120 -0.001 0.000 0.247 618 V C 2.680 178.811 176.094 0.062 0.000 1.048 618 V CA 1.703 64.038 62.300 0.058 0.000 1.049 618 V CB -0.238 31.669 31.823 0.140 0.000 0.672 618 V HN 0.449 nan 8.190 nan 0.000 0.457 619 A N -0.660 122.176 122.820 0.026 0.000 1.930 619 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 619 A C 2.247 179.827 177.584 -0.006 0.000 1.175 619 A CA 1.697 53.724 52.037 -0.018 0.000 0.627 619 A CB -0.395 18.551 19.000 -0.090 0.000 0.815 619 A HN 0.509 nan 8.150 nan 0.000 0.443 620 K N 0.072 120.473 120.400 0.001 0.000 2.103 620 K HA -0.111 4.208 4.320 -0.001 0.000 0.207 620 K C 0.908 177.513 176.600 0.008 0.000 1.048 620 K CA 0.832 57.122 56.287 0.004 0.000 0.930 620 K CB -0.046 32.458 32.500 0.007 0.000 0.716 620 K HN 0.578 nan 8.250 nan 0.000 0.444 621 E N 2.002 122.211 120.200 0.015 0.000 2.324 621 E HA 0.057 4.407 4.350 -0.001 0.000 0.271 621 E C -2.489 174.123 176.600 0.018 0.000 1.028 621 E CA -2.116 54.294 56.400 0.017 0.000 0.890 621 E CB 0.809 30.522 29.700 0.022 0.000 1.004 621 E HN -0.065 nan 8.360 nan 0.000 0.431 622 P HA 0.332 nan 4.420 nan 0.000 0.279 622 P C -0.681 176.632 177.300 0.021 0.000 1.239 622 P CA -0.337 62.773 63.100 0.016 0.000 0.789 622 P CB 1.421 33.129 31.700 0.013 0.000 0.933 623 G N 1.088 109.902 108.800 0.023 0.000 2.576 623 G HA2 0.265 4.224 3.960 -0.001 0.000 0.290 623 G HA3 0.265 4.224 3.960 -0.001 0.000 0.290 623 G C -1.437 173.479 174.900 0.027 0.000 1.442 623 G CA -0.549 44.566 45.100 0.026 0.000 0.792 623 G HN 0.545 nan 8.290 nan 0.000 0.491 624 N N -0.195 118.521 118.700 0.026 0.000 2.453 624 N HA 0.036 4.776 4.740 -0.001 0.000 0.253 624 N C 1.568 177.097 175.510 0.032 0.000 1.252 624 N CA -0.292 52.774 53.050 0.027 0.000 0.917 624 N CB 1.451 39.952 38.487 0.024 0.000 1.117 624 N HN 0.688 nan 8.380 nan 0.000 0.442 625 R N 2.698 123.217 120.500 0.033 0.000 2.096 625 R HA -0.202 4.137 4.340 -0.001 0.000 0.240 625 R C 1.154 177.469 176.300 0.026 0.000 1.139 625 R CA 2.083 58.203 56.100 0.033 0.000 0.952 625 R CB -0.180 30.142 30.300 0.037 0.000 0.854 625 R HN 0.610 nan 8.270 nan 0.000 0.436 626 N N 0.374 119.090 118.700 0.025 0.000 2.104 626 N HA -0.154 4.586 4.740 -0.001 0.000 0.190 626 N C 1.383 176.911 175.510 0.029 0.000 1.024 626 N CA 1.695 54.759 53.050 0.023 0.000 0.853 626 N CB -0.038 38.462 38.487 0.022 0.000 1.008 626 N HN 0.303 nan 8.380 nan 0.000 0.424 627 K N 0.493 120.912 120.400 0.032 0.000 2.057 627 K HA -0.080 4.239 4.320 -0.001 0.000 0.207 627 K C 1.755 178.387 176.600 0.052 0.000 1.049 627 K CA 1.079 57.388 56.287 0.037 0.000 0.931 627 K CB -0.059 32.461 32.500 0.032 0.000 0.714 627 K HN 0.176 nan 8.250 nan 0.000 0.440 628 K N 0.285 120.720 120.400 0.058 0.000 2.217 628 K HA -0.074 4.246 4.320 -0.001 0.000 0.202 628 K C 2.254 178.927 176.600 0.121 0.000 1.051 628 K CA 1.539 57.880 56.287 0.090 0.000 0.952 628 K CB 0.052 32.600 32.500 0.080 0.000 0.736 628 K HN 0.326 nan 8.250 nan 0.000 0.453 629 T N -1.272 113.319 114.554 0.061 0.000 2.812 629 T HA -0.083 4.266 4.350 -0.001 0.000 0.264 629 T C 1.616 176.379 174.700 0.104 0.000 1.042 629 T CA 0.898 63.025 62.100 0.046 0.000 1.140 629 T CB -0.156 68.702 68.868 -0.017 0.000 0.870 629 T HN 0.196 nan 8.240 nan 0.000 0.445 630 E N 1.377 121.621 120.200 0.074 0.000 2.058 630 E HA -0.140 4.210 4.350 -0.001 0.000 0.194 630 E C 2.218 178.865 176.600 0.079 0.000 0.997 630 E CA 1.427 57.865 56.400 0.065 0.000 0.801 630 E CB -0.196 29.531 29.700 0.044 0.000 0.746 630 E HN 0.462 nan 8.360 nan 0.000 0.450 631 K N 0.796 121.250 120.400 0.090 0.000 2.057 631 K HA -0.164 4.156 4.320 -0.001 0.000 0.207 631 K C 1.734 178.389 176.600 0.090 0.000 1.049 631 K CA 1.215 57.548 56.287 0.078 0.000 0.931 631 K CB -0.507 32.039 32.500 0.076 0.000 0.714 631 K HN 0.080 nan 8.250 nan 0.000 0.440 632 F N 1.619 121.561 119.950 -0.013 0.000 2.075 632 F HA -0.219 4.307 4.527 -0.001 0.000 0.297 632 F C 2.206 177.983 175.800 -0.039 0.000 1.113 632 F CA 2.043 60.024 58.000 -0.033 0.000 1.218 632 F CB -0.206 38.771 39.000 -0.037 0.000 0.984 632 F HN 0.165 nan 8.300 nan 0.000 0.472 633 Q N -0.298 119.622 119.800 0.200 0.000 2.135 633 Q HA -0.223 4.117 4.340 -0.001 0.000 0.204 633 Q C 2.024 178.051 176.000 0.044 0.000 0.981 633 Q CA 1.457 57.323 55.803 0.105 0.000 0.856 633 Q CB -0.188 28.598 28.738 0.081 0.000 0.902 633 Q HN 0.136 nan 8.270 nan 0.000 0.425 634 K N 0.352 120.772 120.400 0.033 0.000 2.103 634 K HA -0.017 4.302 4.320 -0.001 0.000 0.204 634 K C 1.916 178.515 176.600 -0.001 0.000 1.052 634 K CA 0.753 57.049 56.287 0.016 0.000 0.945 634 K CB -0.276 32.233 32.500 0.015 0.000 0.722 634 K HN 0.190 nan 8.250 nan 0.000 0.443 635 L N 0.534 121.733 121.223 -0.040 0.000 2.093 635 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 635 L C 2.226 179.087 176.870 -0.015 0.000 1.085 635 L CA 1.209 56.025 54.840 -0.041 0.000 0.755 635 L CB -0.769 41.217 42.059 -0.123 0.000 0.904 635 L HN 0.140 nan 8.230 nan 0.000 0.435 636 L N -0.623 120.547 121.223 -0.088 0.000 2.072 636 L HA -0.110 4.230 4.340 -0.001 0.000 0.205 636 L C 2.822 179.742 176.870 0.083 0.000 1.079 636 L CA 1.032 55.849 54.840 -0.039 0.000 0.752 636 L CB -0.704 41.309 42.059 -0.077 0.000 0.906 636 L HN 0.171 nan 8.230 nan 0.000 0.436 637 A N -0.453 122.400 122.820 0.054 0.000 1.933 637 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 637 A C 1.150 178.776 177.584 0.070 0.000 1.175 637 A CA 0.707 52.781 52.037 0.062 0.000 0.628 637 A CB -0.376 18.649 19.000 0.041 0.000 0.814 637 A HN 0.276 nan 8.150 nan 0.000 0.444 638 E N 1.262 121.500 120.200 0.063 0.000 2.415 638 E HA 0.147 4.497 4.350 -0.001 0.000 0.263 638 E C -0.089 176.563 176.600 0.088 0.000 0.995 638 E CA 0.276 56.708 56.400 0.054 0.000 0.915 638 E CB 0.264 29.978 29.700 0.023 0.000 0.951 638 E HN 0.422 nan 8.360 nan 0.000 0.449 639 Q N 2.929 122.765 119.800 0.060 0.000 2.235 639 Q HA 0.142 4.481 4.340 -0.001 0.000 0.256 639 Q C -0.316 175.709 176.000 0.042 0.000 0.951 639 Q CA -0.182 55.662 55.803 0.067 0.000 0.890 639 Q CB 1.438 30.205 28.738 0.048 0.000 1.279 639 Q HN 0.797 nan 8.270 nan 0.000 0.444 640 D N 0.355 120.785 120.400 0.050 0.000 2.955 640 D HA -0.274 4.366 4.640 -0.001 0.000 0.226 640 D C 0.801 177.091 176.300 -0.017 0.000 1.178 640 D CA 1.386 55.399 54.000 0.022 0.000 0.808 640 D CB -1.467 39.340 40.800 0.012 0.000 1.099 640 D HN 0.712 nan 8.370 nan 0.000 0.421 641 M N -1.920 117.649 119.600 -0.052 0.000 2.435 641 M HA 0.236 4.716 4.480 -0.001 0.000 0.265 641 M C 0.296 176.440 176.300 -0.260 0.000 1.104 641 M CA 0.705 55.891 55.300 -0.190 0.000 1.140 641 M CB 0.239 32.662 32.600 -0.295 0.000 1.372 641 M HN 0.001 nan 8.290 nan 0.000 0.456 642 F N 2.112 122.067 119.950 0.008 0.000 2.458 642 F HA 0.416 4.943 4.527 -0.001 0.000 0.336 642 F C 1.079 176.832 175.800 -0.078 0.000 1.114 642 F CA -1.329 56.667 58.000 -0.006 0.000 0.987 642 F CB 1.291 40.346 39.000 0.092 0.000 1.130 642 F HN -0.028 nan 8.300 nan 0.000 0.458 643 K N 1.423 121.923 120.400 0.167 0.000 2.071 643 K HA -0.144 4.175 4.320 -0.001 0.000 0.217 643 K C 0.336 176.927 176.600 -0.015 0.000 1.054 643 K CA 1.259 57.573 56.287 0.045 0.000 0.937 643 K CB -0.877 31.642 32.500 0.030 0.000 0.719 643 K HN 0.311 nan 8.250 nan 0.000 0.454 644 V N 2.841 122.685 119.914 -0.116 0.000 2.384 644 V HA 0.115 4.235 4.120 -0.001 0.000 0.287 644 V C -0.151 175.784 176.094 -0.265 0.000 1.020 644 V CA -1.599 60.613 62.300 -0.147 0.000 0.850 644 V CB 1.108 32.832 31.823 -0.166 0.000 0.987 644 V HN 0.295 nan 8.190 nan 0.000 0.436 645 N N 3.159 121.815 118.700 -0.073 0.000 2.395 645 N HA 0.067 4.807 4.740 -0.001 0.000 0.246 645 N C 0.070 175.577 175.510 -0.006 0.000 1.246 645 N CA 0.339 53.387 53.050 -0.002 0.000 0.879 645 N CB 0.362 38.897 38.487 0.080 0.000 1.098 645 N HN 0.498 nan 8.380 nan 0.000 0.444 646 F N -0.186 119.865 119.950 0.169 0.000 2.473 646 F HA 0.065 4.591 4.527 -0.001 0.000 0.294 646 F C 2.507 178.482 175.800 0.291 0.000 1.103 646 F CA 0.762 58.892 58.000 0.218 0.000 1.442 646 F CB -0.211 38.798 39.000 0.014 0.000 1.097 646 F HN 0.664 nan 8.300 nan 0.000 0.547 647 T N -0.661 114.083 114.554 0.316 0.000 2.962 647 T HA -0.088 4.261 4.350 -0.001 0.000 0.270 647 T C 0.426 175.187 174.700 0.102 0.000 1.088 647 T CA 0.924 63.131 62.100 0.177 0.000 1.127 647 T CB -0.354 68.582 68.868 0.113 0.000 0.883 647 T HN 0.107 nan 8.240 nan 0.000 0.493 648 N N -0.161 118.616 118.700 0.130 0.000 2.516 648 N HA 0.387 5.126 4.740 -0.001 0.000 0.268 648 N C -1.577 173.997 175.510 0.107 0.000 1.096 648 N CA -0.803 52.233 53.050 -0.024 0.000 0.954 648 N CB 1.183 39.645 38.487 -0.041 0.000 1.676 648 N HN 0.243 nan 8.380 nan 0.000 0.490 649 F N -0.660 119.293 119.950 0.004 0.000 2.692 649 F HA 0.614 5.141 4.527 -0.001 0.000 0.320 649 F C 0.122 175.902 175.800 -0.034 0.000 1.123 649 F CA -1.102 56.889 58.000 -0.016 0.000 0.961 649 F CB 0.673 39.674 39.000 0.000 0.000 1.383 649 F HN 0.145 nan 8.300 nan 0.000 0.483 650 E N 1.643 121.934 120.200 0.150 0.000 2.414 650 E HA 0.143 4.492 4.350 -0.001 0.000 0.263 650 E C -2.439 174.170 176.600 0.015 0.000 1.000 650 E CA -1.475 54.936 56.400 0.018 0.000 0.914 650 E CB -0.066 29.631 29.700 -0.005 0.000 0.948 650 E HN 0.226 nan 8.360 nan 0.000 0.444 651 P HA -0.033 nan 4.420 nan 0.000 0.260 651 P C -0.688 176.563 177.300 -0.081 0.000 1.185 651 P CA 0.892 63.913 63.100 -0.132 0.000 0.763 651 P CB 0.255 31.814 31.700 -0.234 0.000 0.776 652 I N 6.582 127.174 120.570 0.037 0.000 2.474 652 I HA 0.315 4.485 4.170 -0.001 0.000 0.294 652 I C -2.132 174.085 176.117 0.167 0.000 1.005 652 I CA -3.026 58.311 61.300 0.061 0.000 1.113 652 I CB 2.615 40.608 38.000 -0.012 0.000 1.289 652 I HN 0.129 nan 8.210 nan 0.000 0.436 653 P HA -0.013 nan 4.420 nan 0.000 0.271 653 P C -0.425 176.888 177.300 0.022 0.000 1.226 653 P CA -0.101 63.095 63.100 0.161 0.000 0.765 653 P CB 0.329 32.092 31.700 0.104 0.000 0.835 654 F N 7.840 127.644 119.950 -0.244 0.000 2.623 654 F HA -0.006 4.521 4.527 -0.001 0.000 0.383 654 F C -1.066 174.559 175.800 -0.292 0.000 1.077 654 F CA -1.730 56.050 58.000 -0.367 0.000 1.268 654 F CB -0.172 38.509 39.000 -0.532 0.000 1.053 654 F HN 0.346 nan 8.300 nan 0.000 0.571 655 P HA -0.197 nan 4.420 nan 0.000 0.217 655 P C 2.160 179.328 177.300 -0.221 0.000 1.151 655 P CA 1.330 64.500 63.100 0.117 0.000 0.828 655 P CB 0.129 31.957 31.700 0.213 0.000 0.788 656 L N -0.528 120.379 121.223 -0.526 0.000 2.046 656 L HA -0.004 4.335 4.340 -0.001 0.000 0.208 656 L C 0.515 177.136 176.870 -0.416 0.000 1.077 656 L CA 1.830 56.316 54.840 -0.591 0.000 0.747 656 L CB -0.383 41.109 42.059 -0.944 0.000 0.896 656 L HN -0.118 nan 8.230 nan 0.000 0.432 657 D N -1.573 118.511 120.400 -0.527 0.000 2.505 657 D HA 0.257 4.896 4.640 -0.001 0.000 0.250 657 D C -2.088 174.078 176.300 -0.225 0.000 1.164 657 D CA -2.422 51.406 54.000 -0.286 0.000 0.870 657 D CB 1.960 42.548 40.800 -0.353 0.000 1.160 657 D HN -0.093 nan 8.370 nan 0.000 0.549 658 P HA -0.074 nan 4.420 nan 0.000 0.216 658 P C 1.089 178.246 177.300 -0.237 0.000 1.153 658 P CA 0.902 63.903 63.100 -0.165 0.000 0.848 658 P CB 0.466 32.101 31.700 -0.109 0.000 0.787 659 E N -0.464 119.608 120.200 -0.214 0.000 2.130 659 E HA -0.130 4.220 4.350 -0.001 0.000 0.196 659 E C 0.750 177.098 176.600 -0.420 0.000 0.998 659 E CA 0.704 56.938 56.400 -0.277 0.000 0.806 659 E CB -0.323 29.277 29.700 -0.167 0.000 0.738 659 E HN 0.300 nan 8.360 nan 0.000 0.459 660 I N 1.892 122.254 120.570 -0.346 0.000 2.416 660 I HA 0.019 4.188 4.170 -0.001 0.000 0.288 660 I C -0.330 175.596 176.117 -0.319 0.000 1.051 660 I CA -0.333 60.778 61.300 -0.315 0.000 1.375 660 I CB 0.224 38.053 38.000 -0.284 0.000 1.407 660 I HN -0.107 nan 8.210 nan 0.000 0.516 661 Y N 6.288 126.539 120.300 -0.081 0.000 2.320 661 Y HA 0.476 5.026 4.550 -0.001 0.000 0.324 661 Y C 0.508 176.349 175.900 -0.098 0.000 1.190 661 Y CA -0.929 57.118 58.100 -0.088 0.000 1.215 661 Y CB 0.976 39.391 38.460 -0.076 0.000 1.221 661 Y HN 0.350 nan 8.280 nan 0.000 0.486 662 I N -0.961 119.644 120.570 0.057 0.000 2.406 662 I HA 0.438 4.608 4.170 -0.001 0.000 0.290 662 I C 0.632 176.675 176.117 -0.123 0.000 0.999 662 I CA -0.567 60.730 61.300 -0.006 0.000 1.124 662 I CB 2.128 40.116 38.000 -0.020 0.000 1.289 662 I HN 0.657 nan 8.210 nan 0.000 0.441 663 T N 4.537 118.942 114.554 -0.248 0.000 2.852 663 T HA 0.148 4.497 4.350 -0.001 0.000 0.256 663 T C 0.606 174.514 174.700 -1.321 0.000 1.038 663 T CA 1.071 62.842 62.100 -0.548 0.000 1.141 663 T CB 0.100 68.795 68.868 -0.288 0.000 0.869 663 T HN 0.830 nan 8.240 nan 0.000 0.439 664 K N -0.390 119.559 120.400 -0.753 0.000 2.555 664 K HA 0.612 4.931 4.320 -0.001 0.000 0.279 664 K C -1.221 175.353 176.600 -0.043 0.000 0.986 664 K CA -1.053 54.915 56.287 -0.532 0.000 0.880 664 K CB 1.306 33.648 32.500 -0.262 0.000 1.474 664 K HN 0.155 nan 8.250 nan 0.000 0.433 665 I N 0.783 121.419 120.570 0.109 0.000 2.934 665 I HA 0.318 4.487 4.170 -0.001 0.000 0.315 665 I C -0.456 175.637 176.117 -0.040 0.000 0.997 665 I CA -1.397 59.820 61.300 -0.138 0.000 1.184 665 I CB 1.702 39.617 38.000 -0.141 0.000 1.400 665 I HN 0.224 nan 8.210 nan 0.000 0.549 666 V N 4.838 124.712 119.914 -0.066 0.000 2.407 666 V HA 0.201 4.321 4.120 -0.001 0.000 0.291 666 V C -1.833 174.259 176.094 -0.003 0.000 1.018 666 V CA -1.085 61.211 62.300 -0.007 0.000 0.842 666 V CB 1.422 33.248 31.823 0.005 0.000 0.996 666 V HN 0.603 nan 8.190 nan 0.000 0.426 667 P HA -0.052 nan 4.420 nan 0.000 0.215 667 P C 1.896 179.218 177.300 0.037 0.000 1.157 667 P CA 1.069 64.194 63.100 0.041 0.000 0.859 667 P CB 0.123 31.850 31.700 0.045 0.000 0.786 668 M N -1.118 118.498 119.600 0.026 0.000 2.202 668 M HA -0.132 4.347 4.480 -0.001 0.000 0.262 668 M C 2.064 178.366 176.300 0.004 0.000 1.063 668 M CA 1.594 56.905 55.300 0.019 0.000 1.097 668 M CB -1.064 31.547 32.600 0.018 0.000 1.382 668 M HN -0.024 nan 8.290 nan 0.000 0.413 669 R N -0.006 120.491 120.500 -0.005 0.000 2.115 669 R HA -0.031 4.308 4.340 -0.001 0.000 0.226 669 R C 0.832 177.101 176.300 -0.052 0.000 1.100 669 R CA 0.919 57.003 56.100 -0.026 0.000 0.980 669 R CB -0.425 29.858 30.300 -0.029 0.000 0.875 669 R HN 0.471 nan 8.270 nan 0.000 0.445 670 T N 0.570 115.097 114.554 -0.045 0.000 2.867 670 T HA 0.112 4.461 4.350 -0.001 0.000 0.297 670 T C 0.142 174.762 174.700 -0.135 0.000 0.989 670 T CA -0.473 61.573 62.100 -0.091 0.000 1.159 670 T CB 0.970 69.814 68.868 -0.039 0.000 0.928 670 T HN 0.097 nan 8.240 nan 0.000 0.538 671 S N 3.647 119.222 115.700 -0.209 0.000 2.600 671 S HA 0.742 5.212 4.470 -0.001 0.000 0.300 671 S C -0.685 173.702 174.600 -0.356 0.000 1.087 671 S CA -1.169 56.901 58.200 -0.215 0.000 0.965 671 S CB 1.527 64.644 63.200 -0.138 0.000 1.089 671 S HN 0.784 nan 8.310 nan 0.000 0.496 672 L N 1.646 122.705 121.223 -0.274 0.000 2.334 672 L HA 0.599 4.938 4.340 -0.001 0.000 0.276 672 L C -1.182 175.624 176.870 -0.106 0.000 1.014 672 L CA -0.899 53.769 54.840 -0.286 0.000 0.815 672 L CB 1.107 43.034 42.059 -0.220 0.000 1.268 672 L HN 0.633 nan 8.230 nan 0.000 0.428 673 F N 2.386 122.313 119.950 -0.039 0.000 2.399 673 F HA 0.186 4.713 4.527 -0.001 0.000 0.342 673 F C 1.457 177.259 175.800 0.004 0.000 1.106 673 F CA -1.114 56.881 58.000 -0.009 0.000 1.196 673 F CB 1.097 40.090 39.000 -0.013 0.000 1.163 673 F HN 0.472 nan 8.300 nan 0.000 0.547 674 K N 0.281 120.832 120.400 0.252 0.000 2.160 674 K HA -0.145 4.175 4.320 -0.001 0.000 0.206 674 K C 1.039 177.691 176.600 0.087 0.000 1.047 674 K CA 1.044 57.403 56.287 0.120 0.000 0.930 674 K CB -0.417 32.126 32.500 0.072 0.000 0.720 674 K HN 0.412 nan 8.250 nan 0.000 0.450 675 S N 0.278 116.026 115.700 0.079 0.000 2.558 675 S HA 0.131 4.600 4.470 -0.001 0.000 0.291 675 S C 1.350 176.003 174.600 0.089 0.000 1.306 675 S CA 0.076 58.315 58.200 0.064 0.000 1.056 675 S CB 0.902 64.127 63.200 0.042 0.000 0.836 675 S HN 0.392 nan 8.310 nan 0.000 0.504 676 A N 5.273 128.137 122.820 0.073 0.000 1.859 676 A HA 0.005 4.325 4.320 -0.001 0.000 0.217 676 A C 1.251 178.896 177.584 0.101 0.000 1.198 676 A CA 1.419 53.500 52.037 0.073 0.000 0.629 676 A CB -0.908 18.125 19.000 0.055 0.000 0.830 676 A HN 1.048 nan 8.150 nan 0.000 0.446 677 L N 0.139 121.439 121.223 0.128 0.000 2.361 677 L HA 0.453 4.792 4.340 -0.001 0.000 0.278 677 L C -0.177 176.880 176.870 0.312 0.000 1.113 677 L CA 0.048 55.036 54.840 0.247 0.000 0.849 677 L CB -0.421 41.784 42.059 0.243 0.000 1.155 677 L HN 0.582 nan 8.230 nan 0.000 0.452 678 M N 4.192 124.063 119.600 0.452 0.000 2.036 678 M HA 0.545 5.025 4.480 -0.001 0.000 0.337 678 M C -2.665 173.702 176.300 0.111 0.000 1.012 678 M CA -1.681 53.779 55.300 0.266 0.000 0.962 678 M CB 1.232 33.951 32.600 0.197 0.000 1.423 678 M HN 0.342 nan 8.290 nan 0.000 0.405 679 P HA 0.306 nan 4.420 nan 0.000 0.271 679 P C -0.821 176.412 177.300 -0.112 0.000 1.218 679 P CA -0.013 62.978 63.100 -0.182 0.000 0.780 679 P CB 0.845 32.556 31.700 0.020 0.000 0.901 680 A N 2.501 125.224 122.820 -0.162 0.000 2.324 680 A HA 0.473 4.792 4.320 -0.001 0.000 0.330 680 A C 0.011 177.442 177.584 -0.254 0.000 1.165 680 A CA -0.841 50.989 52.037 -0.345 0.000 0.813 680 A CB 0.627 19.300 19.000 -0.546 0.000 1.197 680 A HN 0.526 nan 8.150 nan 0.000 0.484 681 K N 1.663 121.802 120.400 -0.433 0.000 2.249 681 K HA 0.515 4.835 4.320 -0.001 0.000 0.280 681 K C -1.499 175.042 176.600 -0.098 0.000 1.033 681 K CA -0.297 55.853 56.287 -0.229 0.000 0.946 681 K CB 0.311 32.593 32.500 -0.363 0.000 1.005 681 K HN 0.478 nan 8.250 nan 0.000 0.469 682 L N 2.456 123.734 121.223 0.093 0.000 2.370 682 L HA 0.389 4.729 4.340 -0.001 0.000 0.266 682 L C -0.323 176.631 176.870 0.141 0.000 1.002 682 L CA -0.479 54.426 54.840 0.108 0.000 0.818 682 L CB 2.149 44.344 42.059 0.226 0.000 1.325 682 L HN 0.613 nan 8.230 nan 0.000 0.418 683 T N 1.887 116.449 114.554 0.012 0.000 2.794 683 T HA 0.668 5.017 4.350 -0.001 0.000 0.280 683 T C -0.603 174.099 174.700 0.005 0.000 0.987 683 T CA -0.116 62.032 62.100 0.080 0.000 0.993 683 T CB 0.399 69.270 68.868 0.006 0.000 0.939 683 T HN 0.112 nan 8.240 nan 0.000 0.449 684 F N 1.424 121.454 119.950 0.133 0.000 2.541 684 F HA 0.662 5.188 4.527 -0.001 0.000 0.331 684 F C 0.187 176.020 175.800 0.055 0.000 1.057 684 F CA -1.124 56.943 58.000 0.111 0.000 0.975 684 F CB 1.509 40.574 39.000 0.109 0.000 1.246 684 F HN 0.255 nan 8.300 nan 0.000 0.484 685 V N -0.979 119.046 119.914 0.185 0.000 2.459 685 V HA 0.522 4.641 4.120 -0.001 0.000 0.295 685 V C -0.070 176.081 176.094 0.095 0.000 1.029 685 V CA -1.038 61.307 62.300 0.075 0.000 0.874 685 V CB 0.728 32.569 31.823 0.030 0.000 0.985 685 V HN 0.832 nan 8.190 nan 0.000 0.438 686 T N 0.797 115.414 114.554 0.105 0.000 2.926 686 T HA 0.147 4.497 4.350 -0.001 0.000 0.307 686 T C 1.501 176.251 174.700 0.084 0.000 1.059 686 T CA 0.322 62.483 62.100 0.102 0.000 1.122 686 T CB 1.135 70.078 68.868 0.125 0.000 0.972 686 T HN 1.328 nan 8.240 nan 0.000 0.545 687 S N 2.583 118.338 115.700 0.093 0.000 2.383 687 S HA -0.059 4.410 4.470 -0.001 0.000 0.229 687 S C 0.721 175.360 174.600 0.064 0.000 1.030 687 S CA 0.275 58.516 58.200 0.068 0.000 1.002 687 S CB -0.618 62.648 63.200 0.111 0.000 0.829 687 S HN 0.774 nan 8.310 nan 0.000 0.467 688 I N 0.531 121.147 120.570 0.077 0.000 2.404 688 I HA 0.549 4.719 4.170 -0.001 0.000 0.293 688 I C 0.585 176.747 176.117 0.076 0.000 0.992 688 I CA 0.017 61.352 61.300 0.058 0.000 1.149 688 I CB 1.562 39.584 38.000 0.036 0.000 1.315 688 I HN 0.385 nan 8.210 nan 0.000 0.446 689 A N 5.072 127.951 122.820 0.098 0.000 2.899 689 A HA -0.321 3.999 4.320 -0.001 0.000 0.257 689 A C 0.943 178.682 177.584 0.259 0.000 1.335 689 A CA 1.575 53.702 52.037 0.149 0.000 0.924 689 A CB -2.566 16.508 19.000 0.124 0.000 1.105 689 A HN 1.695 nan 8.150 nan 0.000 0.765 690 H N -1.271 117.864 119.070 0.108 0.000 2.820 690 H HA -0.206 4.350 4.556 -0.001 0.000 0.295 690 H C 0.176 175.594 175.328 0.150 0.000 1.187 690 H CA 1.644 57.753 56.048 0.101 0.000 1.144 690 H CB -2.276 27.520 29.762 0.056 0.000 1.354 690 H HN 0.881 nan 8.280 nan 0.000 0.395 691 H N 0.931 119.973 119.070 -0.047 0.000 2.871 691 H HA 0.101 4.656 4.556 -0.001 0.000 0.355 691 H C 0.870 176.140 175.328 -0.097 0.000 1.092 691 H CA 0.780 56.796 56.048 -0.054 0.000 1.420 691 H CB 0.633 30.415 29.762 0.033 0.000 1.400 691 H HN 0.702 nan 8.280 nan 0.000 0.604 692 E N 3.234 123.400 120.200 -0.056 0.000 2.191 692 E HA 0.211 4.561 4.350 -0.001 0.000 0.274 692 E C -1.485 175.222 176.600 0.178 0.000 0.948 692 E CA -0.875 55.537 56.400 0.020 0.000 0.802 692 E CB 1.841 31.496 29.700 -0.075 0.000 1.137 692 E HN 0.471 nan 8.360 nan 0.000 0.397 693 Y N 1.459 121.847 120.300 0.147 0.000 2.364 693 Y HA 0.537 5.086 4.550 -0.001 0.000 0.340 693 Y C -1.019 175.032 175.900 0.252 0.000 0.975 693 Y CA -0.724 57.490 58.100 0.189 0.000 1.089 693 Y CB 1.864 40.452 38.460 0.213 0.000 1.192 693 Y HN 0.775 nan 8.280 nan 0.000 0.454 694 A N 4.408 127.110 122.820 -0.197 0.000 2.288 694 A HA 0.888 5.208 4.320 -0.001 0.000 0.320 694 A C -1.045 176.523 177.584 -0.027 0.000 1.217 694 A CA 0.037 52.027 52.037 -0.078 0.000 0.840 694 A CB 0.282 19.083 19.000 -0.332 0.000 1.179 694 A HN 0.955 nan 8.150 nan 0.000 0.504 695 A N 2.175 125.200 122.820 0.343 0.000 2.485 695 A HA 0.856 5.175 4.320 -0.001 0.000 0.292 695 A C -0.837 177.020 177.584 0.457 0.000 1.147 695 A CA -0.568 51.755 52.037 0.477 0.000 0.750 695 A CB 0.896 20.376 19.000 0.799 0.000 1.331 695 A HN 0.747 nan 8.150 nan 0.000 0.419 696 I N 0.252 121.081 120.570 0.431 0.000 2.441 696 I HA 0.410 4.580 4.170 -0.001 0.000 0.295 696 I C -1.211 175.064 176.117 0.263 0.000 0.994 696 I CA -0.218 61.273 61.300 0.318 0.000 1.144 696 I CB 1.770 39.949 38.000 0.297 0.000 1.314 696 I HN 0.575 nan 8.210 nan 0.000 0.445 697 F N 6.754 126.689 119.950 -0.025 0.000 2.382 697 F HA 0.452 4.978 4.527 -0.001 0.000 0.361 697 F C -0.184 175.492 175.800 -0.206 0.000 1.109 697 F CA -0.573 57.269 58.000 -0.264 0.000 1.031 697 F CB 0.660 39.489 39.000 -0.286 0.000 1.234 697 F HN 0.295 nan 8.300 nan 0.000 0.445 698 K N 4.038 123.968 120.400 -0.783 0.000 2.156 698 K HA 0.230 4.550 4.320 -0.001 0.000 0.271 698 K C 0.051 176.197 176.600 -0.758 0.000 0.995 698 K CA -0.487 55.401 56.287 -0.664 0.000 0.890 698 K CB 0.732 33.016 32.500 -0.360 0.000 1.073 698 K HN 0.814 nan 8.250 nan 0.000 0.454 699 H N 1.305 120.191 119.070 -0.308 0.000 2.750 699 H HA 0.239 4.794 4.556 -0.001 0.000 0.263 699 H C 1.267 176.558 175.328 -0.062 0.000 0.964 699 H CA 0.248 56.183 56.048 -0.188 0.000 1.205 699 H CB 0.377 30.106 29.762 -0.055 0.000 1.454 699 H HN 0.699 nan 8.280 nan 0.000 0.503 700 G N 0.435 109.368 108.800 0.222 0.000 2.417 700 G HA2 0.000 3.960 3.960 -0.001 0.000 0.212 700 G HA3 0.000 3.960 3.960 -0.001 0.000 0.212 700 G C 0.006 174.952 174.900 0.076 0.000 1.187 700 G CA 0.549 45.768 45.100 0.198 0.000 0.804 700 G HN 0.614 nan 8.290 nan 0.000 0.534 701 D N -0.975 119.436 120.400 0.019 0.000 2.419 701 D HA 0.345 4.984 4.640 -0.001 0.000 0.234 701 D C -0.855 175.431 176.300 -0.023 0.000 1.014 701 D CA -0.911 53.090 54.000 0.001 0.000 0.919 701 D CB 1.452 42.246 40.800 -0.009 0.000 1.366 701 D HN -0.023 nan 8.370 nan 0.000 0.490 702 D N 1.206 121.593 120.400 -0.022 0.000 2.450 702 D HA -0.030 4.610 4.640 -0.001 0.000 0.247 702 D C 0.190 176.466 176.300 -0.041 0.000 1.162 702 D CA -0.036 53.942 54.000 -0.037 0.000 0.879 702 D CB 1.073 41.857 40.800 -0.027 0.000 1.163 702 D HN 0.494 nan 8.370 nan 0.000 0.472 703 L N 3.805 124.997 121.223 -0.052 0.000 2.640 703 L HA 0.209 4.549 4.340 -0.001 0.000 0.230 703 L C 2.542 179.382 176.870 -0.050 0.000 1.123 703 L CA -0.264 54.550 54.840 -0.043 0.000 0.900 703 L CB -0.083 41.952 42.059 -0.041 0.000 1.146 703 L HN 0.347 nan 8.230 nan 0.000 0.484 704 R N 0.063 120.526 120.500 -0.061 0.000 2.140 704 R HA -0.309 4.031 4.340 -0.001 0.000 0.250 704 R C 2.180 178.437 176.300 -0.072 0.000 1.150 704 R CA 2.235 58.287 56.100 -0.081 0.000 0.966 704 R CB -0.228 30.026 30.300 -0.076 0.000 0.869 704 R HN 0.450 nan 8.270 nan 0.000 0.445 705 Q N 0.650 120.424 119.800 -0.044 0.000 2.020 705 Q HA -0.191 4.148 4.340 -0.001 0.000 0.202 705 Q C 1.112 177.095 176.000 -0.029 0.000 0.982 705 Q CA 2.195 57.984 55.803 -0.022 0.000 0.838 705 Q CB 0.041 28.778 28.738 -0.002 0.000 0.899 705 Q HN 0.268 nan 8.270 nan 0.000 0.423 706 D N 0.354 120.736 120.400 -0.030 0.000 2.149 706 D HA -0.234 4.405 4.640 -0.001 0.000 0.198 706 D C 1.915 178.111 176.300 -0.174 0.000 0.990 706 D CA 1.752 55.700 54.000 -0.088 0.000 0.839 706 D CB -0.161 40.625 40.800 -0.025 0.000 0.948 706 D HN 0.610 nan 8.370 nan 0.000 0.460 707 Q N 0.143 119.872 119.800 -0.119 0.000 2.187 707 Q HA -0.041 4.299 4.340 -0.001 0.000 0.199 707 Q C 2.171 178.079 176.000 -0.154 0.000 0.957 707 Q CA 0.559 56.283 55.803 -0.130 0.000 0.857 707 Q CB -0.383 28.300 28.738 -0.092 0.000 0.929 707 Q HN 0.321 nan 8.270 nan 0.000 0.453 708 L N 0.393 121.531 121.223 -0.141 0.000 2.017 708 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 708 L C 2.275 179.060 176.870 -0.142 0.000 1.073 708 L CA 0.993 55.741 54.840 -0.152 0.000 0.745 708 L CB -0.243 41.735 42.059 -0.135 0.000 0.894 708 L HN 0.329 nan 8.230 nan 0.000 0.432 709 I N -0.070 120.429 120.570 -0.118 0.000 2.264 709 I HA -0.319 3.850 4.170 -0.001 0.000 0.248 709 I C 2.538 178.540 176.117 -0.192 0.000 1.111 709 I CA 1.404 62.643 61.300 -0.101 0.000 1.382 709 I CB -1.114 36.828 38.000 -0.098 0.000 1.060 709 I HN 0.297 nan 8.210 nan 0.000 0.418 710 L N 0.212 121.262 121.223 -0.289 0.000 2.109 710 L HA -0.183 4.156 4.340 -0.001 0.000 0.207 710 L C 2.678 179.432 176.870 -0.192 0.000 1.086 710 L CA 1.511 56.163 54.840 -0.313 0.000 0.760 710 L CB -0.924 40.887 42.059 -0.414 0.000 0.910 710 L HN 0.358 nan 8.230 nan 0.000 0.437 711 Q N -1.249 118.458 119.800 -0.156 0.000 2.096 711 Q HA -0.262 4.077 4.340 -0.001 0.000 0.204 711 Q C 2.131 178.071 176.000 -0.099 0.000 0.982 711 Q CA 1.684 57.415 55.803 -0.119 0.000 0.850 711 Q CB -0.067 28.597 28.738 -0.123 0.000 0.901 711 Q HN 0.301 nan 8.270 nan 0.000 0.422 712 M N 0.570 120.109 119.600 -0.101 0.000 2.065 712 M HA -0.152 4.328 4.480 -0.001 0.000 0.259 712 M C 2.310 178.602 176.300 -0.014 0.000 1.071 712 M CA 1.422 56.695 55.300 -0.045 0.000 1.109 712 M CB -1.007 31.605 32.600 0.018 0.000 1.313 712 M HN 0.336 nan 8.290 nan 0.000 0.408 713 I N -0.113 120.442 120.570 -0.024 0.000 2.151 713 I HA -0.366 3.804 4.170 -0.001 0.000 0.243 713 I C 2.200 178.289 176.117 -0.047 0.000 1.080 713 I CA 1.825 63.110 61.300 -0.025 0.000 1.339 713 I CB -0.931 37.053 38.000 -0.025 0.000 1.039 713 I HN 0.347 nan 8.210 nan 0.000 0.409 714 T N 1.336 115.851 114.554 -0.065 0.000 2.665 714 T HA -0.249 4.100 4.350 -0.001 0.000 0.268 714 T C 1.972 176.650 174.700 -0.037 0.000 1.035 714 T CA 1.410 63.475 62.100 -0.059 0.000 1.151 714 T CB -0.595 68.232 68.868 -0.068 0.000 0.862 714 T HN 0.296 nan 8.240 nan 0.000 0.438 715 L N 0.258 121.465 121.223 -0.026 0.000 1.990 715 L HA -0.177 4.163 4.340 -0.001 0.000 0.213 715 L C 2.715 179.580 176.870 -0.008 0.000 1.072 715 L CA 1.775 56.612 54.840 -0.005 0.000 0.755 715 L CB -0.344 41.713 42.059 -0.003 0.000 0.889 715 L HN 0.344 nan 8.230 nan 0.000 0.432 716 M N -0.928 118.672 119.600 0.000 0.000 2.080 716 M HA -0.250 4.229 4.480 -0.001 0.000 0.260 716 M C 1.964 178.258 176.300 -0.010 0.000 1.068 716 M CA 2.102 57.409 55.300 0.012 0.000 1.109 716 M CB -0.886 31.727 32.600 0.022 0.000 1.342 716 M HN 0.309 nan 8.290 nan 0.000 0.405 717 D N 0.969 121.349 120.400 -0.033 0.000 2.116 717 D HA -0.171 4.469 4.640 -0.001 0.000 0.193 717 D C 1.816 178.094 176.300 -0.037 0.000 0.998 717 D CA 1.641 55.616 54.000 -0.042 0.000 0.836 717 D CB -0.048 40.722 40.800 -0.051 0.000 0.951 717 D HN 0.231 nan 8.370 nan 0.000 0.449 718 K N -0.255 120.122 120.400 -0.038 0.000 2.032 718 K HA -0.115 4.205 4.320 -0.001 0.000 0.209 718 K C 2.395 178.958 176.600 -0.061 0.000 1.048 718 K CA 1.071 57.332 56.287 -0.045 0.000 0.927 718 K CB -0.272 32.205 32.500 -0.039 0.000 0.712 718 K HN 0.319 nan 8.250 nan 0.000 0.441 719 L N 0.789 121.970 121.223 -0.071 0.000 2.056 719 L HA -0.158 4.181 4.340 -0.001 0.000 0.207 719 L C 2.484 179.311 176.870 -0.073 0.000 1.078 719 L CA 0.955 55.722 54.840 -0.122 0.000 0.749 719 L CB -0.617 41.353 42.059 -0.147 0.000 0.901 719 L HN 0.163 nan 8.230 nan 0.000 0.433 720 L N -0.310 120.891 121.223 -0.036 0.000 2.042 720 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 720 L C 2.933 179.761 176.870 -0.070 0.000 1.076 720 L CA 1.356 56.167 54.840 -0.048 0.000 0.749 720 L CB -0.436 41.613 42.059 -0.016 0.000 0.893 720 L HN 0.243 nan 8.230 nan 0.000 0.432 721 R N -0.611 119.856 120.500 -0.054 0.000 2.115 721 R HA -0.052 4.287 4.340 -0.001 0.000 0.226 721 R C 2.325 178.592 176.300 -0.054 0.000 1.100 721 R CA 0.635 56.706 56.100 -0.047 0.000 0.980 721 R CB -0.167 30.111 30.300 -0.036 0.000 0.875 721 R HN 0.344 nan 8.270 nan 0.000 0.445 722 R N 0.687 121.147 120.500 -0.065 0.000 2.148 722 R HA -0.071 4.269 4.340 -0.001 0.000 0.227 722 R C 1.597 177.855 176.300 -0.070 0.000 1.103 722 R CA 0.802 56.862 56.100 -0.066 0.000 0.983 722 R CB 0.069 30.318 30.300 -0.085 0.000 0.874 722 R HN 0.241 nan 8.270 nan 0.000 0.451 723 E N 0.185 120.323 120.200 -0.103 0.000 2.285 723 E HA -0.117 4.233 4.350 -0.001 0.000 0.194 723 E C 0.294 176.817 176.600 -0.129 0.000 0.997 723 E CA 0.235 56.529 56.400 -0.178 0.000 0.845 723 E CB -0.255 29.212 29.700 -0.388 0.000 0.782 723 E HN 0.158 nan 8.360 nan 0.000 0.491 724 N N -0.172 118.479 118.700 -0.082 0.000 2.815 724 N HA -0.164 4.576 4.740 -0.001 0.000 0.248 724 N C -1.294 174.193 175.510 -0.039 0.000 1.110 724 N CA 0.289 53.311 53.050 -0.047 0.000 0.699 724 N CB -1.495 36.974 38.487 -0.030 0.000 1.040 724 N HN 0.080 nan 8.380 nan 0.000 0.555 725 L N 0.258 121.451 121.223 -0.051 0.000 2.295 725 L HA 0.369 4.708 4.340 -0.001 0.000 0.281 725 L C 0.015 176.875 176.870 -0.016 0.000 1.018 725 L CA -0.782 54.048 54.840 -0.018 0.000 0.841 725 L CB 1.354 43.415 42.059 0.003 0.000 1.218 725 L HN 0.074 nan 8.230 nan 0.000 0.424 726 D N 4.033 124.429 120.400 -0.007 0.000 2.359 726 D HA 0.234 4.874 4.640 -0.001 0.000 0.230 726 D C 0.657 176.958 176.300 0.003 0.000 1.118 726 D CA -0.236 53.761 54.000 -0.005 0.000 0.844 726 D CB 1.443 42.242 40.800 -0.001 0.000 1.059 726 D HN 0.405 nan 8.370 nan 0.000 0.493 727 L N 3.620 124.842 121.223 -0.003 0.000 2.627 727 L HA 0.111 4.450 4.340 -0.001 0.000 0.232 727 L C 0.781 177.668 176.870 0.028 0.000 1.150 727 L CA -0.121 54.722 54.840 0.005 0.000 0.917 727 L CB -0.465 41.584 42.059 -0.017 0.000 1.104 727 L HN 0.403 nan 8.230 nan 0.000 0.445 728 K N 0.696 121.114 120.400 0.030 0.000 3.148 728 K HA -0.167 4.152 4.320 -0.001 0.000 0.267 728 K C -0.191 176.472 176.600 0.106 0.000 0.996 728 K CA 0.442 56.763 56.287 0.057 0.000 0.737 728 K CB -1.937 30.600 32.500 0.061 0.000 1.308 728 K HN 0.366 nan 8.250 nan 0.000 0.470 729 L N 1.040 122.299 121.223 0.060 0.000 2.426 729 L HA 0.104 4.444 4.340 -0.001 0.000 0.271 729 L C 1.419 178.362 176.870 0.122 0.000 1.169 729 L CA 0.540 55.433 54.840 0.088 0.000 0.836 729 L CB 0.681 42.682 42.059 -0.097 0.000 1.112 729 L HN 0.327 nan 8.230 nan 0.000 0.465 730 T N -0.082 114.603 114.554 0.218 0.000 3.331 730 T HA 0.393 4.743 4.350 -0.001 0.000 0.381 730 T C -2.328 172.375 174.700 0.005 0.000 1.656 730 T CA -1.549 60.572 62.100 0.035 0.000 1.453 730 T CB 0.592 69.375 68.868 -0.142 0.000 1.066 730 T HN 0.334 nan 8.240 nan 0.000 0.655 731 P HA 0.290 nan 4.420 nan 0.000 0.288 731 P C -0.622 176.596 177.300 -0.136 0.000 1.363 731 P CA -0.584 62.446 63.100 -0.117 0.000 0.837 731 P CB -0.096 31.548 31.700 -0.093 0.000 0.981 732 Y N 1.023 121.279 120.300 -0.072 0.000 2.301 732 Y HA 0.509 5.059 4.550 -0.001 0.000 0.328 732 Y C 0.638 176.520 175.900 -0.029 0.000 1.242 732 Y CA -1.327 56.738 58.100 -0.058 0.000 1.323 732 Y CB 0.540 38.955 38.460 -0.075 0.000 1.266 732 Y HN 0.052 nan 8.280 nan 0.000 0.527 733 K N 1.917 122.413 120.400 0.160 0.000 2.382 733 K HA 0.363 4.682 4.320 -0.001 0.000 0.275 733 K C -1.077 175.642 176.600 0.197 0.000 1.009 733 K CA -0.251 56.100 56.287 0.106 0.000 0.970 733 K CB 1.355 33.918 32.500 0.104 0.000 0.934 733 K HN 0.698 nan 8.250 nan 0.000 0.479 734 V N 4.399 124.382 119.914 0.114 0.000 2.656 734 V HA 0.400 4.519 4.120 -0.001 0.000 0.307 734 V C -0.898 175.265 176.094 0.115 0.000 1.051 734 V CA -1.055 61.329 62.300 0.140 0.000 0.893 734 V CB 1.968 33.849 31.823 0.097 0.000 0.999 734 V HN 0.578 nan 8.190 nan 0.000 0.426 735 L N 4.441 125.738 121.223 0.124 0.000 2.381 735 L HA 0.963 5.303 4.340 -0.001 0.000 0.268 735 L C -0.137 176.770 176.870 0.061 0.000 0.997 735 L CA -0.358 54.549 54.840 0.111 0.000 0.818 735 L CB 1.898 44.011 42.059 0.091 0.000 1.310 735 L HN 0.731 nan 8.230 nan 0.000 0.416 736 A N 2.428 125.254 122.820 0.009 0.000 2.260 736 A HA 0.534 4.854 4.320 -0.001 0.000 0.314 736 A C 0.973 178.499 177.584 -0.096 0.000 1.257 736 A CA 0.197 52.207 52.037 -0.045 0.000 0.871 736 A CB 0.344 19.305 19.000 -0.066 0.000 1.166 736 A HN 0.980 nan 8.150 nan 0.000 0.522 737 T N 0.613 115.076 114.554 -0.151 0.000 2.614 737 T HA -0.008 4.342 4.350 -0.001 0.000 0.263 737 T C 1.143 175.745 174.700 -0.164 0.000 1.055 737 T CA 1.622 63.557 62.100 -0.274 0.000 1.162 737 T CB -0.408 68.435 68.868 -0.041 0.000 0.863 737 T HN 1.152 nan 8.240 nan 0.000 0.414 738 S N 0.572 116.000 115.700 -0.455 0.000 2.671 738 S HA 0.531 5.000 4.470 -0.001 0.000 0.299 738 S C -0.210 174.195 174.600 -0.324 0.000 1.116 738 S CA -0.329 57.615 58.200 -0.427 0.000 0.912 738 S CB 1.606 64.386 63.200 -0.700 0.000 1.130 738 S HN 0.868 nan 8.310 nan 0.000 0.501 739 S N 1.736 117.344 115.700 -0.152 0.000 2.546 739 S HA 0.206 4.675 4.470 -0.001 0.000 0.290 739 S C 0.583 175.144 174.600 -0.065 0.000 1.262 739 S CA 0.706 58.858 58.200 -0.079 0.000 1.083 739 S CB -0.364 62.824 63.200 -0.019 0.000 0.859 739 S HN 1.507 nan 8.310 nan 0.000 0.495 740 K N 0.557 120.934 120.400 -0.038 0.000 3.533 740 K HA -0.197 4.123 4.320 -0.001 0.000 0.289 740 K C -0.687 176.001 176.600 0.145 0.000 1.317 740 K CA 1.483 57.803 56.287 0.056 0.000 0.967 740 K CB -2.772 29.800 32.500 0.121 0.000 1.323 740 K HN 0.996 nan 8.250 nan 0.000 0.477 741 H N -0.438 118.586 119.070 -0.076 0.000 2.717 741 H HA 0.833 5.389 4.556 -0.001 0.000 0.366 741 H C 0.170 175.368 175.328 -0.217 0.000 1.132 741 H CA -0.381 55.529 56.048 -0.230 0.000 1.180 741 H CB 2.215 31.921 29.762 -0.093 0.000 1.678 741 H HN 0.378 nan 8.280 nan 0.000 0.537 742 G N 0.796 109.399 108.800 -0.329 0.000 2.649 742 G HA2 0.509 4.469 3.960 -0.001 0.000 0.290 742 G HA3 0.509 4.469 3.960 -0.001 0.000 0.290 742 G C -2.063 172.707 174.900 -0.218 0.000 1.426 742 G CA -0.843 44.169 45.100 -0.146 0.000 0.794 742 G HN 0.337 nan 8.290 nan 0.000 0.483 743 F N -0.106 119.889 119.950 0.074 0.000 2.508 743 F HA 0.701 5.227 4.527 -0.001 0.000 0.325 743 F C 0.203 176.054 175.800 0.086 0.000 1.090 743 F CA -0.685 57.408 58.000 0.155 0.000 0.945 743 F CB 2.262 41.351 39.000 0.149 0.000 1.156 743 F HN 0.088 nan 8.300 nan 0.000 0.463 744 L N 2.324 123.713 121.223 0.276 0.000 2.386 744 L HA 0.457 4.796 4.340 -0.001 0.000 0.271 744 L C -0.318 176.670 176.870 0.197 0.000 0.993 744 L CA -1.088 53.874 54.840 0.204 0.000 0.819 744 L CB 1.878 43.998 42.059 0.101 0.000 1.294 744 L HN 0.603 nan 8.230 nan 0.000 0.414 745 Q N 1.868 121.779 119.800 0.186 0.000 2.414 745 Q HA 0.019 4.358 4.340 -0.001 0.000 0.288 745 Q C -1.625 174.396 176.000 0.033 0.000 1.086 745 Q CA 0.493 56.382 55.803 0.144 0.000 0.943 745 Q CB 0.690 29.547 28.738 0.199 0.000 1.282 745 Q HN 0.558 nan 8.270 nan 0.000 0.438 746 Y N 3.373 123.609 120.300 -0.107 0.000 2.409 746 Y HA 0.552 5.101 4.550 -0.001 0.000 0.343 746 Y C -1.375 174.463 175.900 -0.104 0.000 0.973 746 Y CA -1.251 56.791 58.100 -0.096 0.000 1.064 746 Y CB 1.662 40.121 38.460 -0.001 0.000 1.207 746 Y HN 0.531 nan 8.280 nan 0.000 0.452 747 V N 3.987 123.860 119.914 -0.068 0.000 2.540 747 V HA 0.408 4.528 4.120 -0.001 0.000 0.302 747 V C -0.937 175.179 176.094 0.036 0.000 1.035 747 V CA -0.711 61.609 62.300 0.035 0.000 0.873 747 V CB 1.590 33.324 31.823 -0.150 0.000 0.992 747 V HN 0.902 nan 8.190 nan 0.000 0.428 748 D N 4.574 125.154 120.400 0.301 0.000 2.472 748 D HA 0.461 5.101 4.640 -0.001 0.000 0.248 748 D C 0.118 176.534 176.300 0.192 0.000 1.174 748 D CA 1.456 55.655 54.000 0.332 0.000 0.883 748 D CB 0.528 41.481 40.800 0.254 0.000 1.149 748 D HN 1.261 nan 8.370 nan 0.000 0.488 749 S N 2.007 117.795 115.700 0.146 0.000 2.567 749 S HA 0.442 4.912 4.470 -0.001 0.000 0.270 749 S C -1.214 173.427 174.600 0.069 0.000 1.152 749 S CA -1.101 57.179 58.200 0.134 0.000 0.835 749 S CB 0.834 64.157 63.200 0.205 0.000 1.115 749 S HN 0.491 nan 8.310 nan 0.000 0.459 750 C N 1.981 121.310 119.300 0.049 0.000 2.379 750 C HA 0.778 5.237 4.460 -0.001 0.000 0.323 750 C C 0.940 175.849 174.990 -0.135 0.000 1.262 750 C CA -0.063 58.966 59.018 0.017 0.000 1.581 750 C CB 0.965 28.800 27.740 0.159 0.000 2.221 750 C HN 1.006 nan 8.230 nan 0.000 0.497 751 T N 2.492 116.956 114.554 -0.151 0.000 2.940 751 T HA 0.110 4.460 4.350 -0.001 0.000 0.309 751 T C 1.352 175.930 174.700 -0.203 0.000 1.056 751 T CA 0.111 62.082 62.100 -0.215 0.000 1.137 751 T CB 0.604 69.357 68.868 -0.191 0.000 0.976 751 T HN 0.532 nan 8.240 nan 0.000 0.547 752 V N 5.416 125.180 119.914 -0.249 0.000 2.282 752 V HA -0.209 3.911 4.120 -0.001 0.000 0.249 752 V C 2.862 178.852 176.094 -0.174 0.000 1.057 752 V CA 2.301 64.454 62.300 -0.245 0.000 1.032 752 V CB -1.485 30.196 31.823 -0.237 0.000 0.645 752 V HN 1.033 nan 8.190 nan 0.000 0.447 753 A N -0.545 122.194 122.820 -0.136 0.000 1.908 753 A HA -0.271 4.048 4.320 -0.001 0.000 0.218 753 A C 2.216 179.762 177.584 -0.064 0.000 1.181 753 A CA 2.050 54.035 52.037 -0.086 0.000 0.627 753 A CB -0.504 18.458 19.000 -0.064 0.000 0.818 753 A HN 0.642 nan 8.150 nan 0.000 0.445 754 E N -0.469 119.693 120.200 -0.063 0.000 2.031 754 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 754 E C 2.036 178.634 176.600 -0.004 0.000 0.994 754 E CA 1.370 57.756 56.400 -0.022 0.000 0.800 754 E CB -0.348 29.346 29.700 -0.010 0.000 0.752 754 E HN 0.375 nan 8.360 nan 0.000 0.447 755 V N 1.722 121.617 119.914 -0.031 0.000 2.317 755 V HA -0.298 3.822 4.120 -0.001 0.000 0.251 755 V C 2.340 178.429 176.094 -0.008 0.000 1.065 755 V CA 1.692 63.991 62.300 -0.002 0.000 1.049 755 V CB -0.478 31.207 31.823 -0.230 0.000 0.651 755 V HN 0.288 nan 8.190 nan 0.000 0.450 756 L N -0.433 120.756 121.223 -0.058 0.000 2.141 756 L HA -0.090 4.250 4.340 -0.001 0.000 0.209 756 L C 2.663 179.521 176.870 -0.021 0.000 1.094 756 L CA 1.265 56.076 54.840 -0.048 0.000 0.763 756 L CB -0.762 41.256 42.059 -0.067 0.000 0.908 756 L HN 0.363 nan 8.230 nan 0.000 0.437 757 A N 0.198 123.010 122.820 -0.012 0.000 1.873 757 A HA -0.210 4.110 4.320 -0.001 0.000 0.215 757 A C 2.376 179.968 177.584 0.013 0.000 1.186 757 A CA 1.504 53.541 52.037 -0.000 0.000 0.616 757 A CB -0.402 18.599 19.000 0.003 0.000 0.823 757 A HN 0.217 nan 8.150 nan 0.000 0.442 758 R N -0.408 120.110 120.500 0.030 0.000 2.092 758 R HA 0.017 4.357 4.340 -0.001 0.000 0.231 758 R C -0.443 175.883 176.300 0.043 0.000 1.119 758 R CA 1.306 57.434 56.100 0.048 0.000 0.970 758 R CB 0.019 30.372 30.300 0.088 0.000 0.864 758 R HN 0.542 nan 8.270 nan 0.000 0.440 759 E N -2.957 117.268 120.200 0.043 0.000 2.291 759 E HA 0.281 4.631 4.350 -0.001 0.000 0.276 759 E C 0.064 176.662 176.600 -0.004 0.000 0.896 759 E CA 0.063 56.480 56.400 0.028 0.000 0.774 759 E CB 1.766 31.505 29.700 0.065 0.000 1.227 759 E HN 0.127 nan 8.360 nan 0.000 0.413 760 G N 2.699 111.490 108.800 -0.016 0.000 2.485 760 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.221 760 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.221 760 G C 0.274 175.144 174.900 -0.050 0.000 1.115 760 G CA 0.876 45.956 45.100 -0.034 0.000 0.751 760 G HN 0.509 nan 8.290 nan 0.000 0.567 761 N N -1.319 117.355 118.700 -0.043 0.000 2.238 761 N HA 0.411 5.151 4.740 -0.001 0.000 0.302 761 N C 0.512 175.991 175.510 -0.051 0.000 1.072 761 N CA -1.048 51.970 53.050 -0.052 0.000 0.792 761 N CB 1.554 40.003 38.487 -0.063 0.000 1.425 761 N HN -0.086 nan 8.380 nan 0.000 0.478 762 I N 0.311 120.813 120.570 -0.114 0.000 2.361 762 I HA -0.253 3.917 4.170 -0.001 0.000 0.251 762 I C 1.621 177.524 176.117 -0.356 0.000 1.133 762 I CA 1.130 62.204 61.300 -0.377 0.000 1.413 762 I CB -0.223 37.401 38.000 -0.626 0.000 1.073 762 I HN 0.572 nan 8.210 nan 0.000 0.424 763 H N -0.063 118.857 119.070 -0.250 0.000 2.363 763 H HA -0.082 4.473 4.556 -0.001 0.000 0.301 763 H C 1.851 177.205 175.328 0.043 0.000 1.074 763 H CA 0.977 56.985 56.048 -0.066 0.000 1.354 763 H CB -0.112 29.651 29.762 0.002 0.000 1.397 763 H HN 0.325 nan 8.280 nan 0.000 0.516 764 N N 1.150 119.938 118.700 0.147 0.000 2.149 764 N HA -0.158 4.582 4.740 -0.001 0.000 0.188 764 N C 1.786 177.351 175.510 0.092 0.000 1.019 764 N CA 0.896 54.001 53.050 0.092 0.000 0.857 764 N CB -0.638 37.875 38.487 0.044 0.000 0.997 764 N HN 0.325 nan 8.380 nan 0.000 0.426 765 F N 0.271 120.174 119.950 -0.079 0.000 2.134 765 F HA -0.164 4.362 4.527 -0.001 0.000 0.299 765 F C 1.807 177.650 175.800 0.072 0.000 1.097 765 F CA 1.149 59.105 58.000 -0.073 0.000 1.264 765 F CB -0.160 38.758 39.000 -0.137 0.000 1.001 765 F HN -0.138 nan 8.300 nan 0.000 0.479 766 F N 1.137 121.340 119.950 0.422 0.000 2.146 766 F HA -0.015 4.512 4.527 -0.001 0.000 0.298 766 F C 2.659 178.511 175.800 0.086 0.000 1.096 766 F CA 1.254 59.409 58.000 0.258 0.000 1.275 766 F CB -1.450 37.644 39.000 0.155 0.000 1.008 766 F HN -0.023 nan 8.300 nan 0.000 0.480 767 R N 1.443 122.097 120.500 0.257 0.000 2.117 767 R HA -0.240 4.100 4.340 -0.001 0.000 0.243 767 R C 2.258 178.571 176.300 0.022 0.000 1.143 767 R CA 2.093 58.277 56.100 0.141 0.000 0.968 767 R CB -0.261 30.108 30.300 0.117 0.000 0.863 767 R HN 0.405 nan 8.270 nan 0.000 0.444 768 K N -1.333 118.991 120.400 -0.127 0.000 2.148 768 K HA -0.164 4.156 4.320 -0.001 0.000 0.204 768 K C 1.349 177.781 176.600 -0.281 0.000 1.050 768 K CA 1.591 57.706 56.287 -0.287 0.000 0.942 768 K CB -0.173 32.024 32.500 -0.505 0.000 0.724 768 K HN 0.341 nan 8.250 nan 0.000 0.446 769 H N -0.202 118.877 119.070 0.014 0.000 2.439 769 H HA 0.167 4.722 4.556 -0.001 0.000 0.299 769 H C 0.302 175.654 175.328 0.041 0.000 1.033 769 H CA 0.700 56.781 56.048 0.055 0.000 1.348 769 H CB 0.355 30.200 29.762 0.139 0.000 1.449 769 H HN 0.339 nan 8.280 nan 0.000 0.544 770 H N 0.541 119.674 119.070 0.105 0.000 2.429 770 H HA 0.203 4.759 4.556 -0.001 0.000 0.231 770 H C -2.639 172.723 175.328 0.057 0.000 1.416 770 H CA -1.662 54.419 56.048 0.056 0.000 1.443 770 H CB 1.704 31.475 29.762 0.014 0.000 1.591 770 H HN 0.198 nan 8.280 nan 0.000 0.507 771 P HA 0.147 nan 4.420 nan 0.000 0.284 771 P C -0.115 177.239 177.300 0.090 0.000 1.253 771 P CA -0.232 62.934 63.100 0.109 0.000 0.800 771 P CB 1.686 33.429 31.700 0.071 0.000 0.961 772 C N 3.083 122.440 119.300 0.096 0.000 2.609 772 C HA 0.309 4.769 4.460 -0.001 0.000 0.313 772 C C 1.431 176.467 174.990 0.077 0.000 1.175 772 C CA -0.331 58.733 59.018 0.076 0.000 1.434 772 C CB 0.728 28.512 27.740 0.073 0.000 2.005 772 C HN 0.578 nan 8.230 nan 0.000 0.471 773 D N 1.395 121.832 120.400 0.061 0.000 2.103 773 D HA -0.057 4.582 4.640 -0.001 0.000 0.199 773 D C 1.437 177.774 176.300 0.062 0.000 0.978 773 D CA 1.460 55.496 54.000 0.059 0.000 0.829 773 D CB 0.046 40.873 40.800 0.045 0.000 0.981 773 D HN 0.599 nan 8.370 nan 0.000 0.464 774 N N 0.546 119.279 118.700 0.054 0.000 2.398 774 N HA 0.027 4.766 4.740 -0.001 0.000 0.188 774 N C 0.878 176.421 175.510 0.056 0.000 1.122 774 N CA 0.080 53.161 53.050 0.052 0.000 0.866 774 N CB 0.316 38.828 38.487 0.041 0.000 0.970 774 N HN 0.036 nan 8.380 nan 0.000 0.462 775 G N 2.473 111.312 108.800 0.065 0.000 2.474 775 G HA2 0.021 3.981 3.960 -0.001 0.000 0.233 775 G HA3 0.021 3.981 3.960 -0.001 0.000 0.233 775 G C -0.998 173.944 174.900 0.070 0.000 1.278 775 G CA -0.746 44.394 45.100 0.066 0.000 0.861 775 G HN 0.065 nan 8.290 nan 0.000 0.567 776 P HA -0.157 nan 4.420 nan 0.000 0.213 776 P C -0.033 177.305 177.300 0.063 0.000 1.176 776 P CA 1.553 64.600 63.100 -0.089 0.000 0.919 776 P CB -0.027 31.504 31.700 -0.282 0.000 0.791 777 Y N -1.977 118.430 120.300 0.179 0.000 2.602 777 Y HA 0.579 5.129 4.550 -0.001 0.000 0.330 777 Y C 1.869 177.863 175.900 0.157 0.000 1.114 777 Y CA -1.915 56.293 58.100 0.180 0.000 1.182 777 Y CB -0.563 38.069 38.460 0.286 0.000 1.305 777 Y HN -0.143 nan 8.280 nan 0.000 0.502 778 G N 1.188 110.172 108.800 0.307 0.000 3.022 778 G HA2 0.262 4.222 3.960 -0.001 0.000 0.246 778 G HA3 0.262 4.222 3.960 -0.001 0.000 0.246 778 G C -0.463 174.563 174.900 0.210 0.000 0.859 778 G CA 0.515 45.737 45.100 0.205 0.000 1.941 778 G HN 0.292 nan 8.290 nan 0.000 0.589 779 I N -1.054 119.639 120.570 0.205 0.000 2.730 779 I HA 0.268 4.438 4.170 -0.001 0.000 0.298 779 I C 0.276 176.456 176.117 0.105 0.000 1.089 779 I CA -0.654 60.749 61.300 0.171 0.000 1.041 779 I CB 2.206 40.315 38.000 0.182 0.000 1.235 779 I HN -0.144 nan 8.210 nan 0.000 0.423 780 S N 2.676 118.429 115.700 0.089 0.000 2.537 780 S HA 0.192 4.661 4.470 -0.001 0.000 0.286 780 S C 1.412 176.021 174.600 0.014 0.000 1.299 780 S CA 0.169 58.407 58.200 0.064 0.000 1.067 780 S CB 1.032 64.292 63.200 0.099 0.000 0.864 780 S HN 0.782 nan 8.310 nan 0.000 0.494 781 A N 4.091 126.927 122.820 0.028 0.000 1.927 781 A HA -0.241 4.078 4.320 -0.001 0.000 0.220 781 A C 1.886 179.468 177.584 -0.004 0.000 1.185 781 A CA 2.201 54.254 52.037 0.026 0.000 0.639 781 A CB -0.697 18.328 19.000 0.042 0.000 0.820 781 A HN 0.892 nan 8.150 nan 0.000 0.451 782 E N -0.246 119.947 120.200 -0.012 0.000 2.150 782 E HA -0.050 4.300 4.350 -0.001 0.000 0.193 782 E C 1.614 178.161 176.600 -0.088 0.000 0.985 782 E CA 1.056 57.439 56.400 -0.030 0.000 0.814 782 E CB -0.834 28.861 29.700 -0.009 0.000 0.752 782 E HN 0.290 nan 8.360 nan 0.000 0.466 783 V N 0.847 120.666 119.914 -0.158 0.000 2.295 783 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 783 V C 2.283 178.232 176.094 -0.242 0.000 1.049 783 V CA 1.811 63.926 62.300 -0.308 0.000 1.024 783 V CB -0.434 31.064 31.823 -0.541 0.000 0.648 783 V HN 0.314 nan 8.190 nan 0.000 0.447 784 M N -0.326 119.170 119.600 -0.174 0.000 2.080 784 M HA -0.195 4.285 4.480 -0.001 0.000 0.260 784 M C 2.062 178.277 176.300 -0.142 0.000 1.068 784 M CA 1.999 57.212 55.300 -0.144 0.000 1.109 784 M CB -1.402 31.067 32.600 -0.218 0.000 1.342 784 M HN 0.413 nan 8.290 nan 0.000 0.405 785 D N -0.257 120.068 120.400 -0.125 0.000 2.092 785 D HA -0.161 4.478 4.640 -0.001 0.000 0.193 785 D C 1.950 178.228 176.300 -0.038 0.000 0.994 785 D CA 2.304 56.260 54.000 -0.073 0.000 0.828 785 D CB -0.109 40.679 40.800 -0.020 0.000 0.963 785 D HN 0.398 nan 8.370 nan 0.000 0.450 786 T N -1.655 112.878 114.554 -0.034 0.000 2.720 786 T HA -0.276 4.073 4.350 -0.001 0.000 0.268 786 T C 2.060 176.778 174.700 0.031 0.000 1.037 786 T CA 1.658 63.753 62.100 -0.009 0.000 1.144 786 T CB -0.855 67.998 68.868 -0.025 0.000 0.864 786 T HN 0.324 nan 8.240 nan 0.000 0.444 787 Y N 1.089 121.342 120.300 -0.079 0.000 2.097 787 Y HA -0.043 4.506 4.550 -0.001 0.000 0.282 787 Y C 2.074 177.980 175.900 0.010 0.000 1.152 787 Y CA 1.294 59.386 58.100 -0.013 0.000 1.136 787 Y CB -0.805 37.677 38.460 0.037 0.000 0.975 787 Y HN 0.223 nan 8.280 nan 0.000 0.498 788 I N 1.049 121.486 120.570 -0.222 0.000 2.151 788 I HA -0.344 3.826 4.170 -0.001 0.000 0.243 788 I C 2.370 178.440 176.117 -0.078 0.000 1.080 788 I CA 1.731 62.897 61.300 -0.223 0.000 1.339 788 I CB -0.654 37.313 38.000 -0.055 0.000 1.039 788 I HN 0.237 nan 8.210 nan 0.000 0.409 789 K N -0.096 120.284 120.400 -0.032 0.000 2.025 789 K HA -0.131 4.189 4.320 -0.001 0.000 0.207 789 K C 2.209 178.830 176.600 0.036 0.000 1.049 789 K CA 1.832 58.128 56.287 0.015 0.000 0.933 789 K CB -0.396 32.113 32.500 0.014 0.000 0.714 789 K HN 0.429 nan 8.250 nan 0.000 0.438 790 S N 1.156 116.881 115.700 0.042 0.000 2.387 790 S HA -0.216 4.253 4.470 -0.001 0.000 0.230 790 S C 2.393 177.119 174.600 0.210 0.000 1.035 790 S CA 1.484 59.780 58.200 0.160 0.000 1.014 790 S CB -1.027 62.287 63.200 0.190 0.000 0.836 790 S HN 0.309 nan 8.310 nan 0.000 0.466 791 C N 2.413 121.711 119.300 -0.003 0.000 2.436 791 C HA 0.158 4.618 4.460 -0.001 0.000 0.277 791 C C 3.352 178.500 174.990 0.263 0.000 1.241 791 C CA 0.396 59.434 59.018 0.033 0.000 1.721 791 C CB -1.795 25.780 27.740 -0.275 0.000 2.043 791 C HN 0.739 nan 8.230 nan 0.000 0.472 792 A N 1.311 124.308 122.820 0.294 0.000 1.859 792 A HA -0.046 4.273 4.320 -0.001 0.000 0.217 792 A C 2.449 180.068 177.584 0.057 0.000 1.198 792 A CA 2.556 54.663 52.037 0.117 0.000 0.629 792 A CB -1.600 17.355 19.000 -0.075 0.000 0.830 792 A HN 0.579 nan 8.150 nan 0.000 0.446 793 G N -1.825 106.996 108.800 0.035 0.000 2.513 793 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.219 793 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.219 793 G C 1.480 176.345 174.900 -0.058 0.000 1.160 793 G CA 1.474 46.541 45.100 -0.054 0.000 0.767 793 G HN 0.560 nan 8.290 nan 0.000 0.571 794 Y N 0.110 120.496 120.300 0.144 0.000 2.314 794 Y HA -0.043 4.507 4.550 -0.001 0.000 0.293 794 Y C 3.116 179.151 175.900 0.226 0.000 1.129 794 Y CA 0.583 58.823 58.100 0.233 0.000 1.201 794 Y CB -0.440 38.193 38.460 0.288 0.000 0.999 794 Y HN 0.241 nan 8.280 nan 0.000 0.541 795 C N -1.396 118.086 119.300 0.303 0.000 2.446 795 C HA -0.103 4.357 4.460 -0.001 0.000 0.277 795 C C 2.709 177.789 174.990 0.149 0.000 1.275 795 C CA 0.851 59.992 59.018 0.204 0.000 1.727 795 C CB -1.055 26.778 27.740 0.155 0.000 2.010 795 C HN 0.324 nan 8.230 nan 0.000 0.486 796 V N 0.529 120.504 119.914 0.103 0.000 2.488 796 V HA -0.125 3.994 4.120 -0.001 0.000 0.246 796 V C 2.117 178.332 176.094 0.201 0.000 1.046 796 V CA 1.636 64.008 62.300 0.120 0.000 1.053 796 V CB -0.460 31.413 31.823 0.084 0.000 0.679 796 V HN 0.508 nan 8.190 nan 0.000 0.458 797 I N 0.886 121.542 120.570 0.144 0.000 2.233 797 I HA -0.225 3.945 4.170 -0.001 0.000 0.243 797 I C 2.870 179.078 176.117 0.152 0.000 1.093 797 I CA 1.976 63.355 61.300 0.132 0.000 1.380 797 I CB -0.515 37.524 38.000 0.065 0.000 1.067 797 I HN 0.514 nan 8.210 nan 0.000 0.413 798 T N -1.042 113.612 114.554 0.165 0.000 2.699 798 T HA -0.337 4.012 4.350 -0.001 0.000 0.268 798 T C 1.937 176.687 174.700 0.083 0.000 1.036 798 T CA 1.736 63.889 62.100 0.087 0.000 1.147 798 T CB -0.945 67.918 68.868 -0.009 0.000 0.862 798 T HN 0.434 nan 8.240 nan 0.000 0.446 799 Y N 2.176 122.497 120.300 0.035 0.000 2.097 799 Y HA 0.002 4.551 4.550 -0.001 0.000 0.282 799 Y C 2.250 178.174 175.900 0.041 0.000 1.152 799 Y CA 1.306 59.420 58.100 0.023 0.000 1.136 799 Y CB -0.600 37.860 38.460 -0.000 0.000 0.975 799 Y HN 0.183 nan 8.280 nan 0.000 0.498 800 L N -0.255 120.978 121.223 0.016 0.000 2.012 800 L HA -0.275 4.064 4.340 -0.001 0.000 0.210 800 L C 2.363 179.140 176.870 -0.157 0.000 1.073 800 L CA 1.551 56.347 54.840 -0.073 0.000 0.748 800 L CB -0.655 41.456 42.059 0.088 0.000 0.891 800 L HN 0.324 nan 8.230 nan 0.000 0.431 801 L N -0.458 120.734 121.223 -0.052 0.000 2.492 801 L HA 0.085 4.424 4.340 -0.001 0.000 0.223 801 L C 1.276 178.113 176.870 -0.055 0.000 1.132 801 L CA 0.385 55.213 54.840 -0.020 0.000 0.850 801 L CB -0.694 41.428 42.059 0.104 0.000 0.966 801 L HN 0.491 nan 8.230 nan 0.000 0.454 802 G N 1.367 110.099 108.800 -0.114 0.000 2.338 802 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.296 802 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.296 802 G C 0.103 174.985 174.900 -0.030 0.000 1.040 802 G CA 0.050 45.086 45.100 -0.106 0.000 1.004 802 G HN 0.111 nan 8.290 nan 0.000 0.509 803 V N 0.136 120.039 119.914 -0.018 0.000 2.637 803 V HA 0.607 4.727 4.120 -0.001 0.000 0.296 803 V C 1.338 177.407 176.094 -0.041 0.000 1.046 803 V CA 0.741 63.028 62.300 -0.021 0.000 1.066 803 V CB 1.373 33.137 31.823 -0.099 0.000 0.968 803 V HN 0.796 nan 8.190 nan 0.000 0.483 804 G N 1.877 110.683 108.800 0.010 0.000 2.735 804 G HA2 0.560 4.520 3.960 -0.001 0.000 0.301 804 G HA3 0.560 4.520 3.960 -0.001 0.000 0.301 804 G C -0.098 174.813 174.900 0.019 0.000 1.279 804 G CA 0.048 45.142 45.100 -0.010 0.000 1.019 804 G HN 0.753 nan 8.290 nan 0.000 0.497 805 D N -1.692 118.694 120.400 -0.023 0.000 3.051 805 D HA -0.133 4.507 4.640 -0.001 0.000 0.218 805 D C 0.398 176.786 176.300 0.147 0.000 1.129 805 D CA 0.327 54.357 54.000 0.050 0.000 0.868 805 D CB -0.592 40.349 40.800 0.234 0.000 1.100 805 D HN 0.328 nan 8.370 nan 0.000 0.429 806 R N 1.490 122.026 120.500 0.060 0.000 2.491 806 R HA 0.486 4.826 4.340 -0.001 0.000 0.283 806 R C 0.870 177.275 176.300 0.174 0.000 1.072 806 R CA 0.307 56.444 56.100 0.062 0.000 1.048 806 R CB 0.140 30.433 30.300 -0.011 0.000 0.983 806 R HN 0.597 nan 8.270 nan 0.000 0.450 807 H N -0.620 118.425 119.070 -0.043 0.000 2.981 807 H HA 0.197 4.753 4.556 -0.001 0.000 0.327 807 H C 0.195 175.487 175.328 -0.060 0.000 1.342 807 H CA -0.899 55.121 56.048 -0.046 0.000 1.123 807 H CB 0.402 30.139 29.762 -0.042 0.000 1.851 807 H HN 0.322 nan 8.280 nan 0.000 0.531 808 L N 0.241 121.425 121.223 -0.066 0.000 2.450 808 L HA -0.096 4.244 4.340 -0.001 0.000 0.224 808 L C 1.447 178.177 176.870 -0.233 0.000 1.149 808 L CA 1.138 55.891 54.840 -0.145 0.000 0.816 808 L CB -0.334 41.673 42.059 -0.087 0.000 0.932 808 L HN 0.545 nan 8.230 nan 0.000 0.449 809 D N -0.374 119.833 120.400 -0.321 0.000 2.234 809 D HA -0.103 4.537 4.640 -0.001 0.000 0.205 809 D C 1.628 177.659 176.300 -0.449 0.000 0.962 809 D CA 0.701 54.502 54.000 -0.333 0.000 0.855 809 D CB 0.005 40.690 40.800 -0.193 0.000 0.951 809 D HN 0.294 nan 8.370 nan 0.000 0.500 810 N N 0.046 118.356 118.700 -0.649 0.000 2.354 810 N HA 0.038 4.778 4.740 -0.001 0.000 0.179 810 N C 0.204 175.543 175.510 -0.285 0.000 1.021 810 N CA 0.380 53.162 53.050 -0.446 0.000 0.887 810 N CB 0.345 38.572 38.487 -0.433 0.000 0.974 810 N HN 0.203 nan 8.380 nan 0.000 0.437 811 L N 0.964 121.993 121.223 -0.322 0.000 2.322 811 L HA 0.460 4.799 4.340 -0.001 0.000 0.281 811 L C -0.910 175.665 176.870 -0.493 0.000 1.014 811 L CA -0.922 53.670 54.840 -0.414 0.000 0.815 811 L CB 1.732 43.561 42.059 -0.382 0.000 1.247 811 L HN -0.222 nan 8.230 nan 0.000 0.421 812 L N 3.524 124.297 121.223 -0.751 0.000 2.333 812 L HA 0.636 4.976 4.340 -0.001 0.000 0.269 812 L C -0.389 176.004 176.870 -0.795 0.000 1.010 812 L CA -0.721 53.644 54.840 -0.791 0.000 0.818 812 L CB 1.803 43.297 42.059 -0.941 0.000 1.306 812 L HN 0.400 nan 8.230 nan 0.000 0.430 813 L N 0.705 121.657 121.223 -0.452 0.000 2.381 813 L HA 0.699 5.039 4.340 -0.001 0.000 0.268 813 L C 0.353 177.234 176.870 0.018 0.000 0.997 813 L CA -0.079 54.625 54.840 -0.227 0.000 0.818 813 L CB 2.085 43.971 42.059 -0.288 0.000 1.310 813 L HN 0.875 nan 8.230 nan 0.000 0.416 814 T N -1.499 113.173 114.554 0.196 0.000 2.912 814 T HA 0.306 4.655 4.350 -0.001 0.000 0.280 814 T C 1.255 176.181 174.700 0.376 0.000 0.989 814 T CA 0.233 62.499 62.100 0.278 0.000 0.995 814 T CB 1.073 70.094 68.868 0.256 0.000 1.077 814 T HN 0.791 nan 8.240 nan 0.000 0.531 815 T N -0.147 114.572 114.554 0.275 0.000 2.881 815 T HA -0.128 4.222 4.350 -0.001 0.000 0.270 815 T C 1.656 176.383 174.700 0.045 0.000 1.068 815 T CA 1.147 63.357 62.100 0.185 0.000 1.131 815 T CB -0.683 68.066 68.868 -0.198 0.000 0.871 815 T HN 0.564 nan 8.240 nan 0.000 0.479 816 N N 1.654 120.352 118.700 -0.003 0.000 2.223 816 N HA 0.098 4.838 4.740 -0.001 0.000 0.185 816 N C 1.738 177.083 175.510 -0.276 0.000 1.016 816 N CA 1.547 54.503 53.050 -0.156 0.000 0.863 816 N CB -0.545 37.929 38.487 -0.022 0.000 0.983 816 N HN 0.778 nan 8.380 nan 0.000 0.429 817 G N -0.685 108.039 108.800 -0.128 0.000 2.231 817 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.206 817 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.206 817 G C -0.078 174.922 174.900 0.166 0.000 0.996 817 G CA -0.247 44.778 45.100 -0.126 0.000 0.645 817 G HN 0.291 nan 8.290 nan 0.000 0.498 818 K N 0.310 120.799 120.400 0.148 0.000 2.485 818 K HA 0.376 4.695 4.320 -0.001 0.000 0.277 818 K C -0.316 176.441 176.600 0.262 0.000 0.990 818 K CA -0.031 56.385 56.287 0.215 0.000 0.994 818 K CB 1.128 33.768 32.500 0.233 0.000 0.906 818 K HN 0.235 nan 8.250 nan 0.000 0.488 819 L N 4.868 126.219 121.223 0.214 0.000 2.346 819 L HA 0.569 4.908 4.340 -0.001 0.000 0.276 819 L C -1.123 175.689 176.870 -0.097 0.000 1.006 819 L CA -0.417 54.429 54.840 0.011 0.000 0.817 819 L CB 0.765 42.796 42.059 -0.046 0.000 1.272 819 L HN 0.599 nan 8.230 nan 0.000 0.421 820 F N 0.655 120.329 119.950 -0.461 0.000 2.664 820 F HA 0.652 5.178 4.527 -0.001 0.000 0.317 820 F C -1.034 174.340 175.800 -0.711 0.000 1.108 820 F CA -1.011 56.509 58.000 -0.801 0.000 0.957 820 F CB 1.127 39.983 39.000 -0.240 0.000 1.365 820 F HN 0.519 nan 8.300 nan 0.000 0.475 821 H N 1.618 120.562 119.070 -0.210 0.000 2.458 821 H HA 0.440 4.995 4.556 -0.001 0.000 0.330 821 H C 0.779 176.332 175.328 0.376 0.000 1.111 821 H CA -0.489 55.512 56.048 -0.077 0.000 1.245 821 H CB 2.527 32.148 29.762 -0.235 0.000 1.456 821 H HN 0.823 nan 8.280 nan 0.000 0.488 822 I N 0.432 121.186 120.570 0.307 0.000 2.385 822 I HA 0.024 4.194 4.170 -0.001 0.000 0.244 822 I C -0.190 176.309 176.117 0.637 0.000 1.089 822 I CA 1.045 62.602 61.300 0.427 0.000 1.410 822 I CB 0.562 38.603 38.000 0.069 0.000 1.117 822 I HN 0.555 nan 8.210 nan 0.000 0.429 823 D N -0.394 120.187 120.400 0.302 0.000 2.505 823 D HA 0.296 4.936 4.640 -0.001 0.000 0.249 823 D C -1.376 175.043 176.300 0.199 0.000 1.082 823 D CA -0.515 53.703 54.000 0.362 0.000 0.839 823 D CB 1.198 42.084 40.800 0.142 0.000 1.317 823 D HN 0.068 nan 8.370 nan 0.000 0.497 824 F N 2.269 122.260 119.950 0.067 0.000 2.597 824 F HA 0.387 4.914 4.527 -0.001 0.000 0.336 824 F C 1.478 177.279 175.800 0.000 0.000 1.432 824 F CA -0.978 57.053 58.000 0.051 0.000 1.120 824 F CB 1.294 40.328 39.000 0.056 0.000 1.253 824 F HN 0.531 nan 8.300 nan 0.000 0.546 825 G N -0.579 108.265 108.800 0.073 0.000 2.484 825 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.218 825 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.218 825 G C -0.118 174.569 174.900 -0.355 0.000 1.130 825 G CA 0.726 45.726 45.100 -0.166 0.000 0.784 825 G HN 0.281 nan 8.290 nan 0.000 0.543 826 Y N -0.301 120.030 120.300 0.052 0.000 2.338 826 Y HA 0.626 5.176 4.550 -0.001 0.000 0.333 826 Y C -0.063 175.857 175.900 0.032 0.000 0.968 826 Y CA -1.084 57.034 58.100 0.029 0.000 1.123 826 Y CB 1.680 40.142 38.460 0.003 0.000 1.165 826 Y HN -0.154 nan 8.280 nan 0.000 0.452 827 I N 3.852 124.535 120.570 0.187 0.000 2.785 827 I HA 0.330 4.500 4.170 -0.001 0.000 0.302 827 I C -0.417 175.754 176.117 0.090 0.000 1.069 827 I CA -1.186 60.192 61.300 0.130 0.000 1.045 827 I CB 2.214 40.291 38.000 0.129 0.000 1.236 827 I HN 0.573 nan 8.210 nan 0.000 0.429 828 L N 4.980 126.228 121.223 0.041 0.000 3.717 828 L HA -0.269 4.071 4.340 -0.001 0.000 0.411 828 L C 1.011 177.874 176.870 -0.011 0.000 1.233 828 L CA 0.558 55.392 54.840 -0.011 0.000 0.917 828 L CB -2.368 39.688 42.059 -0.006 0.000 1.902 828 L HN 1.191 nan 8.230 nan 0.000 0.894 829 G N -1.771 107.024 108.800 -0.008 0.000 2.253 829 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.251 829 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.251 829 G C 0.497 175.390 174.900 -0.012 0.000 0.998 829 G CA 0.248 45.335 45.100 -0.022 0.000 0.621 829 G HN 0.281 nan 8.290 nan 0.000 0.524 830 R N 1.544 122.067 120.500 0.039 0.000 2.583 830 R HA 0.430 4.770 4.340 -0.001 0.000 0.274 830 R C -0.253 176.001 176.300 -0.077 0.000 0.998 830 R CA 0.517 56.653 56.100 0.058 0.000 1.081 830 R CB 0.245 30.672 30.300 0.212 0.000 0.940 830 R HN 0.545 nan 8.270 nan 0.000 0.413 831 D N 2.331 122.554 120.400 -0.296 0.000 2.769 831 D HA 0.163 4.803 4.640 -0.001 0.000 0.219 831 D C -1.895 174.076 176.300 -0.549 0.000 1.245 831 D CA -1.253 52.392 54.000 -0.591 0.000 0.801 831 D CB 2.004 42.628 40.800 -0.293 0.000 1.598 831 D HN 0.146 nan 8.370 nan 0.000 0.485 832 P HA -0.058 nan 4.420 nan 0.000 0.215 832 P C 0.144 177.326 177.300 -0.197 0.000 1.157 832 P CA 0.817 63.722 63.100 -0.325 0.000 0.863 832 P CB 0.492 32.041 31.700 -0.251 0.000 0.787 833 K N 0.126 120.408 120.400 -0.196 0.000 2.276 833 K HA 0.105 4.425 4.320 -0.001 0.000 0.259 833 K C -1.526 175.010 176.600 -0.107 0.000 1.001 833 K CA -1.193 55.018 56.287 -0.126 0.000 0.927 833 K CB -0.098 32.336 32.500 -0.111 0.000 0.969 833 K HN 0.015 nan 8.250 nan 0.000 0.490 834 P HA 0.011 nan 4.420 nan 0.000 0.222 834 P C 0.064 177.335 177.300 -0.049 0.000 1.157 834 P CA 1.159 64.225 63.100 -0.056 0.000 0.816 834 P CB 0.475 32.150 31.700 -0.042 0.000 0.813 835 M N -1.349 118.224 119.600 -0.046 0.000 2.761 835 M HA 0.362 4.842 4.480 -0.001 0.000 0.305 835 M C -1.901 174.375 176.300 -0.039 0.000 1.235 835 M CA -2.335 52.943 55.300 -0.036 0.000 0.850 835 M CB 0.958 33.541 32.600 -0.027 0.000 1.744 835 M HN -0.319 nan 8.290 nan 0.000 0.480 836 P HA 0.107 nan 4.420 nan 0.000 0.239 836 P C -2.332 174.956 177.300 -0.019 0.000 1.302 836 P CA 0.193 63.281 63.100 -0.020 0.000 0.676 836 P CB -1.586 30.114 31.700 -0.000 0.000 1.093 837 P HA 0.056 nan 4.420 nan 0.000 0.270 837 P C -2.050 175.264 177.300 0.022 0.000 1.223 837 P CA -0.951 62.151 63.100 0.003 0.000 0.785 837 P CB -0.331 31.371 31.700 0.004 0.000 0.923 838 P HA -0.005 nan 4.420 nan 0.000 0.219 838 P C 0.533 177.917 177.300 0.140 0.000 1.150 838 P CA 1.335 64.501 63.100 0.111 0.000 0.814 838 P CB 0.235 32.016 31.700 0.135 0.000 0.787 839 M N 0.750 120.386 119.600 0.060 0.000 2.205 839 M HA 0.255 4.735 4.480 -0.001 0.000 0.344 839 M C -0.443 175.887 176.300 0.049 0.000 1.085 839 M CA -0.329 55.000 55.300 0.049 0.000 1.001 839 M CB 1.334 33.925 32.600 -0.014 0.000 1.626 839 M HN -0.349 nan 8.290 nan 0.000 0.442 840 K N 6.760 127.197 120.400 0.063 0.000 2.292 840 K HA 0.557 4.876 4.320 -0.001 0.000 0.270 840 K C -1.335 175.305 176.600 0.066 0.000 1.062 840 K CA 0.005 56.323 56.287 0.050 0.000 0.916 840 K CB 0.199 32.718 32.500 0.032 0.000 1.166 840 K HN 0.708 nan 8.250 nan 0.000 0.458 841 L N 1.557 122.807 121.223 0.044 0.000 2.438 841 L HA 0.269 4.608 4.340 -0.001 0.000 0.270 841 L C 0.478 177.353 176.870 0.009 0.000 0.972 841 L CA -0.984 53.873 54.840 0.027 0.000 0.831 841 L CB 2.132 44.206 42.059 0.025 0.000 1.273 841 L HN 0.611 nan 8.230 nan 0.000 0.405 842 S N 2.037 117.734 115.700 -0.005 0.000 2.573 842 S HA 0.056 4.526 4.470 -0.001 0.000 0.277 842 S C 1.000 175.593 174.600 -0.012 0.000 1.346 842 S CA -0.143 58.048 58.200 -0.015 0.000 1.034 842 S CB 1.216 64.396 63.200 -0.034 0.000 0.879 842 S HN 0.815 nan 8.310 nan 0.000 0.528 843 K N 1.133 121.524 120.400 -0.014 0.000 2.097 843 K HA -0.150 4.169 4.320 -0.001 0.000 0.206 843 K C 1.686 178.277 176.600 -0.016 0.000 1.049 843 K CA 1.856 58.135 56.287 -0.013 0.000 0.933 843 K CB -0.321 32.168 32.500 -0.019 0.000 0.717 843 K HN 0.780 nan 8.250 nan 0.000 0.442 844 E N 0.446 120.628 120.200 -0.029 0.000 2.110 844 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 844 E C 1.912 178.500 176.600 -0.019 0.000 0.988 844 E CA 1.547 57.923 56.400 -0.040 0.000 0.804 844 E CB -0.118 29.542 29.700 -0.067 0.000 0.745 844 E HN 0.319 nan 8.360 nan 0.000 0.458 845 M N -0.184 119.412 119.600 -0.007 0.000 2.200 845 M HA -0.111 4.368 4.480 -0.001 0.000 0.265 845 M C 1.947 178.289 176.300 0.070 0.000 1.066 845 M CA 0.877 56.208 55.300 0.050 0.000 1.127 845 M CB 0.090 32.701 32.600 0.017 0.000 1.379 845 M HN 0.028 nan 8.290 nan 0.000 0.420 846 V N -0.711 119.221 119.914 0.030 0.000 2.453 846 V HA -0.157 3.963 4.120 -0.001 0.000 0.247 846 V C 1.913 178.066 176.094 0.099 0.000 1.048 846 V CA 1.510 63.848 62.300 0.063 0.000 1.049 846 V CB -0.953 30.908 31.823 0.064 0.000 0.672 846 V HN 0.445 nan 8.190 nan 0.000 0.457 847 E N 0.924 121.157 120.200 0.056 0.000 2.152 847 E HA -0.074 4.276 4.350 -0.001 0.000 0.192 847 E C 2.322 178.997 176.600 0.125 0.000 0.983 847 E CA 1.140 57.558 56.400 0.031 0.000 0.818 847 E CB -0.208 29.470 29.700 -0.038 0.000 0.758 847 E HN 0.615 nan 8.360 nan 0.000 0.467 848 A N 0.889 123.830 122.820 0.201 0.000 2.015 848 A HA -0.098 4.221 4.320 -0.001 0.000 0.219 848 A C 2.065 179.894 177.584 0.407 0.000 1.163 848 A CA 0.900 53.160 52.037 0.372 0.000 0.646 848 A CB -0.288 18.680 19.000 -0.055 0.000 0.806 848 A HN 0.132 nan 8.150 nan 0.000 0.448 849 M N -1.878 117.944 119.600 0.371 0.000 2.349 849 M HA 0.104 4.583 4.480 -0.001 0.000 0.266 849 M C 1.502 178.098 176.300 0.493 0.000 1.076 849 M CA 1.093 56.637 55.300 0.406 0.000 1.126 849 M CB 0.070 32.823 32.600 0.255 0.000 1.392 849 M HN 0.650 nan 8.290 nan 0.000 0.440 850 G N 0.783 109.801 108.800 0.365 0.000 2.144 850 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.218 850 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.218 850 G C 0.449 175.440 174.900 0.151 0.000 0.988 850 G CA -0.019 45.231 45.100 0.249 0.000 0.659 850 G HN 0.924 nan 8.290 nan 0.000 0.522 851 G N -1.163 107.717 108.800 0.133 0.000 2.814 851 G HA2 0.104 4.064 3.960 -0.001 0.000 0.677 851 G HA3 0.104 4.064 3.960 -0.001 0.000 0.677 851 G C 0.887 175.695 174.900 -0.153 0.000 1.429 851 G CA 0.442 45.539 45.100 -0.004 0.000 0.868 851 G HN 1.803 nan 8.290 nan 0.000 0.553 852 I N -0.022 120.320 120.570 -0.379 0.000 2.248 852 I HA -0.180 3.990 4.170 -0.001 0.000 0.248 852 I C 2.504 178.514 176.117 -0.178 0.000 1.107 852 I CA 3.172 64.148 61.300 -0.539 0.000 1.373 852 I CB -0.423 37.384 38.000 -0.321 0.000 1.055 852 I HN 0.760 nan 8.210 nan 0.000 0.418 853 S N 0.649 116.303 115.700 -0.076 0.000 2.368 853 S HA -0.123 4.347 4.470 -0.001 0.000 0.225 853 S C 1.340 175.972 174.600 0.054 0.000 1.030 853 S CA 0.883 59.079 58.200 -0.007 0.000 0.999 853 S CB -1.283 61.916 63.200 -0.002 0.000 0.844 853 S HN 0.814 nan 8.310 nan 0.000 0.459 854 S N 1.368 117.129 115.700 0.103 0.000 2.573 854 S HA 0.081 4.550 4.470 -0.001 0.000 0.277 854 S C 0.899 175.625 174.600 0.209 0.000 1.346 854 S CA -0.335 57.969 58.200 0.175 0.000 1.034 854 S CB 0.947 64.312 63.200 0.274 0.000 0.879 854 S HN 0.467 nan 8.310 nan 0.000 0.528 855 E N 0.857 121.142 120.200 0.142 0.000 2.072 855 E HA -0.178 4.172 4.350 -0.001 0.000 0.190 855 E C 1.499 178.237 176.600 0.230 0.000 0.982 855 E CA 0.992 57.479 56.400 0.144 0.000 0.803 855 E CB -0.204 29.498 29.700 0.004 0.000 0.755 855 E HN 0.852 nan 8.360 nan 0.000 0.453 856 H N -0.572 118.627 119.070 0.215 0.000 2.319 856 H HA -0.168 4.388 4.556 -0.001 0.000 0.299 856 H C 2.058 177.547 175.328 0.267 0.000 1.092 856 H CA 1.862 58.031 56.048 0.202 0.000 1.302 856 H CB -0.726 29.148 29.762 0.187 0.000 1.373 856 H HN 0.417 nan 8.280 nan 0.000 0.497 857 H N -0.416 118.874 119.070 0.367 0.000 2.387 857 H HA -0.140 4.416 4.556 -0.001 0.000 0.299 857 H C 2.507 178.080 175.328 0.409 0.000 1.099 857 H CA 1.961 58.218 56.048 0.348 0.000 1.315 857 H CB -0.121 29.801 29.762 0.266 0.000 1.380 857 H HN 0.496 nan 8.280 nan 0.000 0.513 858 H N -0.102 119.200 119.070 0.386 0.000 2.357 858 H HA -0.108 4.448 4.556 -0.001 0.000 0.301 858 H C 1.923 177.364 175.328 0.187 0.000 1.082 858 H CA 1.177 57.389 56.048 0.274 0.000 1.342 858 H CB 0.286 30.174 29.762 0.210 0.000 1.389 858 H HN 0.408 nan 8.280 nan 0.000 0.511 859 E N 0.503 120.731 120.200 0.046 0.000 2.118 859 E HA -0.177 4.173 4.350 -0.001 0.000 0.195 859 E C 2.110 178.718 176.600 0.013 0.000 0.992 859 E CA 0.899 57.288 56.400 -0.018 0.000 0.804 859 E CB -0.508 29.266 29.700 0.122 0.000 0.741 859 E HN 0.487 nan 8.360 nan 0.000 0.458 860 F N 1.815 121.726 119.950 -0.064 0.000 2.051 860 F HA -0.184 4.343 4.527 -0.001 0.000 0.296 860 F C 2.386 178.084 175.800 -0.170 0.000 1.122 860 F CA 1.666 59.583 58.000 -0.139 0.000 1.201 860 F CB -0.303 38.572 39.000 -0.208 0.000 0.978 860 F HN -0.146 nan 8.300 nan 0.000 0.472 861 R N 0.530 120.735 120.500 -0.491 0.000 2.094 861 R HA -0.226 4.114 4.340 -0.001 0.000 0.239 861 R C 2.420 178.549 176.300 -0.285 0.000 1.137 861 R CA 2.028 57.797 56.100 -0.551 0.000 0.943 861 R CB -0.667 29.634 30.300 0.003 0.000 0.850 861 R HN 0.320 nan 8.270 nan 0.000 0.433 862 K N 0.689 121.075 120.400 -0.024 0.000 2.089 862 K HA -0.301 4.018 4.320 -0.001 0.000 0.210 862 K C 2.222 178.836 176.600 0.023 0.000 1.048 862 K CA 1.928 58.260 56.287 0.074 0.000 0.926 862 K CB -0.003 32.413 32.500 -0.140 0.000 0.714 862 K HN 0.011 nan 8.250 nan 0.000 0.448 863 Q N 0.111 119.841 119.800 -0.116 0.000 2.124 863 Q HA -0.121 4.218 4.340 -0.001 0.000 0.202 863 Q C 2.074 177.976 176.000 -0.164 0.000 0.977 863 Q CA 1.853 57.594 55.803 -0.103 0.000 0.850 863 Q CB -0.183 28.499 28.738 -0.093 0.000 0.901 863 Q HN 0.437 nan 8.270 nan 0.000 0.429 864 C N -0.470 118.589 119.300 -0.402 0.000 2.413 864 C HA -0.169 4.290 4.460 -0.001 0.000 0.277 864 C C 2.260 177.069 174.990 -0.303 0.000 1.228 864 C CA 0.796 59.531 59.018 -0.473 0.000 1.731 864 C CB -1.325 25.905 27.740 -0.851 0.000 2.042 864 C HN 0.555 nan 8.230 nan 0.000 0.468 865 Y N 0.967 121.180 120.300 -0.145 0.000 2.097 865 Y HA -0.224 4.326 4.550 -0.001 0.000 0.282 865 Y C 3.006 178.901 175.900 -0.009 0.000 1.152 865 Y CA 2.083 60.151 58.100 -0.054 0.000 1.136 865 Y CB -1.464 36.954 38.460 -0.070 0.000 0.975 865 Y HN 0.377 nan 8.280 nan 0.000 0.498 866 T N -0.430 114.194 114.554 0.116 0.000 2.788 866 T HA -0.177 4.172 4.350 -0.001 0.000 0.268 866 T C 2.140 176.843 174.700 0.004 0.000 1.044 866 T CA 1.388 63.486 62.100 -0.003 0.000 1.139 866 T CB -0.532 68.348 68.868 0.020 0.000 0.867 866 T HN 0.363 nan 8.240 nan 0.000 0.454 867 A N 0.163 123.038 122.820 0.091 0.000 1.858 867 A HA -0.035 4.285 4.320 -0.001 0.000 0.216 867 A C 2.192 179.862 177.584 0.142 0.000 1.190 867 A CA 1.872 53.993 52.037 0.140 0.000 0.617 867 A CB -1.467 17.578 19.000 0.075 0.000 0.827 867 A HN 0.697 nan 8.150 nan 0.000 0.443 868 Y N 0.600 120.889 120.300 -0.018 0.000 2.165 868 Y HA -0.202 4.347 4.550 -0.001 0.000 0.286 868 Y C 2.000 177.886 175.900 -0.023 0.000 1.155 868 Y CA 1.742 59.835 58.100 -0.011 0.000 1.164 868 Y CB -0.317 38.121 38.460 -0.036 0.000 0.978 868 Y HN 0.233 nan 8.280 nan 0.000 0.513 869 L N -1.228 119.947 121.223 -0.080 0.000 2.046 869 L HA -0.270 4.070 4.340 -0.001 0.000 0.208 869 L C 2.561 179.285 176.870 -0.243 0.000 1.077 869 L CA 1.416 56.123 54.840 -0.223 0.000 0.747 869 L CB -0.774 41.140 42.059 -0.242 0.000 0.896 869 L HN 0.315 nan 8.230 nan 0.000 0.432 870 H N -0.243 118.783 119.070 -0.074 0.000 2.326 870 H HA -0.109 4.447 4.556 -0.001 0.000 0.301 870 H C 2.354 177.611 175.328 -0.119 0.000 1.081 870 H CA 1.110 57.108 56.048 -0.084 0.000 1.334 870 H CB -0.172 29.596 29.762 0.010 0.000 1.385 870 H HN 0.166 nan 8.280 nan 0.000 0.504 871 L N 0.729 121.996 121.223 0.074 0.000 2.079 871 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 871 L C 2.574 179.397 176.870 -0.077 0.000 1.081 871 L CA 1.293 56.159 54.840 0.043 0.000 0.752 871 L CB -0.760 41.322 42.059 0.038 0.000 0.896 871 L HN 0.249 nan 8.230 nan 0.000 0.433 872 R N -0.456 119.919 120.500 -0.208 0.000 2.105 872 R HA -0.180 4.160 4.340 -0.001 0.000 0.239 872 R C 2.402 178.591 176.300 -0.186 0.000 1.135 872 R CA 1.326 57.277 56.100 -0.248 0.000 0.967 872 R CB -0.186 29.899 30.300 -0.359 0.000 0.861 872 R HN 0.366 nan 8.270 nan 0.000 0.442 873 R N -0.371 119.985 120.500 -0.240 0.000 2.081 873 R HA -0.073 4.266 4.340 -0.001 0.000 0.235 873 R C 0.676 176.793 176.300 -0.306 0.000 1.131 873 R CA 1.003 56.920 56.100 -0.305 0.000 0.960 873 R CB -0.120 29.920 30.300 -0.434 0.000 0.856 873 R HN 0.390 nan 8.270 nan 0.000 0.436 874 H N -0.126 118.954 119.070 0.017 0.000 2.595 874 H HA 0.272 4.827 4.556 -0.001 0.000 0.264 874 H C 0.922 176.252 175.328 0.003 0.000 1.503 874 H CA 0.110 56.169 56.048 0.019 0.000 1.142 874 H CB 0.256 30.033 29.762 0.026 0.000 1.554 874 H HN 0.256 nan 8.280 nan 0.000 0.501 875 A N 1.623 124.464 122.820 0.035 0.000 1.865 875 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 875 A C 2.198 179.802 177.584 0.034 0.000 1.191 875 A CA 1.352 53.393 52.037 0.005 0.000 0.623 875 A CB -0.304 18.673 19.000 -0.037 0.000 0.826 875 A HN 0.567 nan 8.150 nan 0.000 0.444 876 N N 0.237 118.963 118.700 0.044 0.000 2.104 876 N HA -0.162 4.577 4.740 -0.001 0.000 0.190 876 N C 1.737 177.264 175.510 0.027 0.000 1.024 876 N CA 1.869 54.940 53.050 0.035 0.000 0.853 876 N CB -0.490 38.024 38.487 0.045 0.000 1.008 876 N HN 0.351 nan 8.380 nan 0.000 0.424 877 V N 1.665 121.597 119.914 0.030 0.000 2.287 877 V HA -0.249 3.870 4.120 -0.001 0.000 0.248 877 V C 2.397 178.476 176.094 -0.024 0.000 1.053 877 V CA 1.726 64.006 62.300 -0.032 0.000 1.027 877 V CB -0.629 31.174 31.823 -0.032 0.000 0.646 877 V HN 0.235 nan 8.190 nan 0.000 0.447 878 M N -0.601 119.034 119.600 0.058 0.000 2.159 878 M HA -0.096 4.384 4.480 -0.001 0.000 0.263 878 M C 2.114 178.594 176.300 0.300 0.000 1.063 878 M CA 1.814 57.220 55.300 0.177 0.000 1.110 878 M CB -0.397 32.321 32.600 0.197 0.000 1.374 878 M HN 0.262 nan 8.290 nan 0.000 0.411 879 L N -0.482 120.828 121.223 0.145 0.000 2.072 879 L HA -0.195 4.145 4.340 -0.001 0.000 0.205 879 L C 2.167 179.105 176.870 0.114 0.000 1.079 879 L CA 0.821 55.734 54.840 0.122 0.000 0.752 879 L CB -0.906 41.170 42.059 0.029 0.000 0.906 879 L HN 0.365 nan 8.230 nan 0.000 0.436 880 N N 0.239 118.964 118.700 0.042 0.000 2.084 880 N HA -0.144 4.595 4.740 -0.001 0.000 0.190 880 N C 1.937 177.419 175.510 -0.047 0.000 1.030 880 N CA 1.130 54.176 53.050 -0.007 0.000 0.849 880 N CB -0.206 38.253 38.487 -0.046 0.000 1.012 880 N HN 0.231 nan 8.380 nan 0.000 0.423 881 L N 0.008 121.171 121.223 -0.099 0.000 2.012 881 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 881 L C 2.173 178.921 176.870 -0.203 0.000 1.073 881 L CA 1.475 56.191 54.840 -0.208 0.000 0.748 881 L CB -0.924 40.954 42.059 -0.302 0.000 0.891 881 L HN 0.074 nan 8.230 nan 0.000 0.431 882 F N 0.347 120.258 119.950 -0.065 0.000 2.186 882 F HA -0.137 4.390 4.527 -0.001 0.000 0.299 882 F C 2.762 178.543 175.800 -0.032 0.000 1.090 882 F CA 1.160 59.135 58.000 -0.042 0.000 1.307 882 F CB -0.592 38.387 39.000 -0.035 0.000 1.019 882 F HN 0.001 nan 8.300 nan 0.000 0.489 883 S N 0.248 116.031 115.700 0.137 0.000 2.423 883 S HA -0.173 4.297 4.470 -0.001 0.000 0.238 883 S C 1.768 176.388 174.600 0.034 0.000 1.028 883 S CA 1.069 59.312 58.200 0.071 0.000 1.000 883 S CB -0.439 62.782 63.200 0.034 0.000 0.797 883 S HN 0.311 nan 8.310 nan 0.000 0.487 884 L N -0.072 121.141 121.223 -0.016 0.000 2.667 884 L HA 0.264 4.604 4.340 -0.001 0.000 0.232 884 L C 0.921 177.778 176.870 -0.021 0.000 1.138 884 L CA 0.039 54.843 54.840 -0.059 0.000 0.921 884 L CB -0.148 41.837 42.059 -0.124 0.000 1.180 884 L HN 0.292 nan 8.230 nan 0.000 0.487 885 M N -1.033 118.567 119.600 0.000 0.000 2.383 885 M HA 0.090 4.569 4.480 -0.001 0.000 0.247 885 M C 1.936 178.275 176.300 0.064 0.000 1.117 885 M CA 0.220 55.524 55.300 0.006 0.000 0.995 885 M CB -0.219 32.347 32.600 -0.057 0.000 1.480 885 M HN -0.042 nan 8.290 nan 0.000 0.485 886 V N 1.113 121.081 119.914 0.091 0.000 2.287 886 V HA -0.247 3.873 4.120 -0.001 0.000 0.248 886 V C 1.281 177.425 176.094 0.083 0.000 1.053 886 V CA 1.876 64.233 62.300 0.095 0.000 1.027 886 V CB -0.425 31.463 31.823 0.108 0.000 0.646 886 V HN 0.412 nan 8.190 nan 0.000 0.447 887 D N -0.272 120.190 120.400 0.104 0.000 2.336 887 D HA 0.244 4.884 4.640 -0.001 0.000 0.228 887 D C 1.731 178.070 176.300 0.065 0.000 1.120 887 D CA 0.808 54.857 54.000 0.083 0.000 0.839 887 D CB 0.481 41.348 40.800 0.112 0.000 0.932 887 D HN 0.449 nan 8.370 nan 0.000 0.509 888 A N 0.400 123.255 122.820 0.057 0.000 2.014 888 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 888 A C 1.395 178.994 177.584 0.025 0.000 1.163 888 A CA 1.165 53.226 52.037 0.040 0.000 0.652 888 A CB -0.024 18.984 19.000 0.013 0.000 0.808 888 A HN 0.159 nan 8.150 nan 0.000 0.449 889 T N -2.094 112.473 114.554 0.022 0.000 5.393 889 T HA -0.138 4.212 4.350 -0.001 0.000 0.267 889 T C 0.132 174.834 174.700 0.004 0.000 2.207 889 T CA 0.503 62.611 62.100 0.013 0.000 3.771 889 T CB -2.214 66.662 68.868 0.014 0.000 0.494 889 T HN 0.346 nan 8.240 nan 0.000 1.125 890 V N 3.418 123.335 119.914 0.006 0.000 2.529 890 V HA 0.091 4.211 4.120 -0.001 0.000 0.292 890 V C -0.405 175.697 176.094 0.012 0.000 1.028 890 V CA -0.917 61.386 62.300 0.005 0.000 1.074 890 V CB 1.119 32.951 31.823 0.015 0.000 0.958 890 V HN 0.151 nan 8.190 nan 0.000 0.481 891 P HA -0.172 nan 4.420 nan 0.000 0.216 891 P C 0.922 178.233 177.300 0.017 0.000 1.157 891 P CA 1.410 64.511 63.100 0.001 0.000 0.880 891 P CB 0.331 32.018 31.700 -0.022 0.000 0.791 892 D N -0.971 119.445 120.400 0.027 0.000 2.183 892 D HA -0.045 4.594 4.640 -0.001 0.000 0.203 892 D C 2.068 178.399 176.300 0.051 0.000 0.969 892 D CA 0.632 54.661 54.000 0.048 0.000 0.842 892 D CB -0.717 40.123 40.800 0.066 0.000 0.957 892 D HN 0.198 nan 8.370 nan 0.000 0.484 893 I N 0.710 121.313 120.570 0.054 0.000 2.286 893 I HA -0.191 3.979 4.170 -0.001 0.000 0.245 893 I C 2.263 178.406 176.117 0.043 0.000 1.104 893 I CA 0.684 62.019 61.300 0.059 0.000 1.397 893 I CB -0.069 37.976 38.000 0.075 0.000 1.072 893 I HN -0.058 nan 8.210 nan 0.000 0.417 894 A N 0.407 123.248 122.820 0.035 0.000 2.024 894 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 894 A C 2.094 179.692 177.584 0.024 0.000 1.164 894 A CA 1.521 53.574 52.037 0.027 0.000 0.643 894 A CB -0.578 18.434 19.000 0.020 0.000 0.806 894 A HN 0.328 nan 8.150 nan 0.000 0.451 895 L N -0.870 120.369 121.223 0.027 0.000 2.044 895 L HA -0.005 4.334 4.340 -0.001 0.000 0.205 895 L C 0.970 177.853 176.870 0.021 0.000 1.075 895 L CA 1.425 56.280 54.840 0.025 0.000 0.747 895 L CB -0.173 41.905 42.059 0.031 0.000 0.903 895 L HN 0.359 nan 8.230 nan 0.000 0.435 896 E N -1.433 118.781 120.200 0.022 0.000 3.651 896 E HA 0.152 4.501 4.350 -0.001 0.000 0.220 896 E C -1.963 174.650 176.600 0.021 0.000 1.222 896 E CA -1.182 55.228 56.400 0.017 0.000 1.114 896 E CB 1.077 30.784 29.700 0.011 0.000 1.278 896 E HN 0.107 nan 8.360 nan 0.000 0.412 897 P HA -0.211 nan 4.420 nan 0.000 0.213 897 P C 1.006 178.327 177.300 0.034 0.000 1.170 897 P CA 1.358 64.479 63.100 0.036 0.000 0.898 897 P CB 0.209 31.931 31.700 0.035 0.000 0.787 898 D N 0.649 121.064 120.400 0.025 0.000 2.127 898 D HA -0.237 4.403 4.640 -0.001 0.000 0.190 898 D C 1.641 177.948 176.300 0.012 0.000 1.000 898 D CA 1.652 55.664 54.000 0.020 0.000 0.839 898 D CB -1.280 39.528 40.800 0.013 0.000 0.955 898 D HN 0.156 nan 8.370 nan 0.000 0.446 899 K N 0.416 120.820 120.400 0.006 0.000 2.160 899 K HA -0.067 4.253 4.320 -0.001 0.000 0.206 899 K C 2.271 178.862 176.600 -0.014 0.000 1.047 899 K CA 1.210 57.494 56.287 -0.006 0.000 0.930 899 K CB -0.314 32.182 32.500 -0.006 0.000 0.720 899 K HN 0.238 nan 8.250 nan 0.000 0.450 900 A N 0.931 123.751 122.820 0.001 0.000 1.948 900 A HA -0.161 4.159 4.320 -0.001 0.000 0.220 900 A C 2.296 179.855 177.584 -0.041 0.000 1.177 900 A CA 1.653 53.688 52.037 -0.002 0.000 0.636 900 A CB -0.588 18.438 19.000 0.043 0.000 0.815 900 A HN 0.106 nan 8.150 nan 0.000 0.449 901 V N -0.160 119.742 119.914 -0.020 0.000 2.427 901 V HA -0.215 3.905 4.120 -0.001 0.000 0.248 901 V C 2.445 178.468 176.094 -0.117 0.000 1.051 901 V CA 2.084 64.349 62.300 -0.058 0.000 1.048 901 V CB -0.575 31.255 31.823 0.012 0.000 0.666 901 V HN 0.510 nan 8.190 nan 0.000 0.456 902 K N 0.235 120.587 120.400 -0.079 0.000 2.097 902 K HA -0.204 4.116 4.320 -0.001 0.000 0.206 902 K C 2.243 178.776 176.600 -0.112 0.000 1.049 902 K CA 1.426 57.663 56.287 -0.082 0.000 0.933 902 K CB -0.128 32.341 32.500 -0.052 0.000 0.717 902 K HN 0.444 nan 8.250 nan 0.000 0.442 903 K N 0.219 120.545 120.400 -0.123 0.000 2.057 903 K HA -0.116 4.204 4.320 -0.001 0.000 0.207 903 K C 2.001 178.478 176.600 -0.205 0.000 1.049 903 K CA 1.256 57.459 56.287 -0.140 0.000 0.931 903 K CB -0.085 32.343 32.500 -0.121 0.000 0.714 903 K HN -0.064 nan 8.250 nan 0.000 0.440 904 V N 1.500 121.238 119.914 -0.293 0.000 2.343 904 V HA -0.232 3.888 4.120 -0.001 0.000 0.247 904 V C 2.286 178.233 176.094 -0.246 0.000 1.051 904 V CA 1.832 63.911 62.300 -0.368 0.000 1.036 904 V CB -0.399 31.003 31.823 -0.702 0.000 0.654 904 V HN 0.382 nan 8.190 nan 0.000 0.451 905 E N -0.186 119.893 120.200 -0.202 0.000 2.150 905 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 905 E C 2.190 178.725 176.600 -0.109 0.000 0.985 905 E CA 0.848 57.164 56.400 -0.139 0.000 0.814 905 E CB 0.080 29.710 29.700 -0.117 0.000 0.752 905 E HN 0.592 nan 8.360 nan 0.000 0.466 906 E N 0.916 121.053 120.200 -0.105 0.000 2.051 906 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 906 E C 1.805 178.375 176.600 -0.050 0.000 0.991 906 E CA 0.927 57.284 56.400 -0.072 0.000 0.799 906 E CB -0.378 29.283 29.700 -0.065 0.000 0.748 906 E HN 0.297 nan 8.360 nan 0.000 0.449 907 N N 0.921 119.561 118.700 -0.100 0.000 2.205 907 N HA -0.120 4.620 4.740 -0.001 0.000 0.186 907 N C 1.997 177.614 175.510 0.180 0.000 1.015 907 N CA 0.623 53.625 53.050 -0.080 0.000 0.862 907 N CB -0.378 37.851 38.487 -0.430 0.000 0.986 907 N HN 0.178 nan 8.380 nan 0.000 0.429 908 L N -0.348 120.892 121.223 0.029 0.000 2.156 908 L HA -0.062 4.278 4.340 -0.001 0.000 0.208 908 L C 0.454 177.287 176.870 -0.061 0.000 1.095 908 L CA 0.359 55.186 54.840 -0.023 0.000 0.770 908 L CB -0.242 41.756 42.059 -0.101 0.000 0.914 908 L HN 0.136 nan 8.230 nan 0.000 0.439 909 Q N -0.541 119.221 119.800 -0.063 0.000 2.463 909 Q HA -0.212 4.128 4.340 -0.001 0.000 0.299 909 Q C 0.860 176.784 176.000 -0.127 0.000 1.353 909 Q CA 0.259 55.998 55.803 -0.107 0.000 0.828 909 Q CB -1.512 27.123 28.738 -0.172 0.000 1.157 909 Q HN 0.439 nan 8.270 nan 0.000 0.436 910 L N -2.305 118.836 121.223 -0.136 0.000 2.191 910 L HA -0.124 4.216 4.340 -0.001 0.000 0.212 910 L C 2.233 178.996 176.870 -0.178 0.000 1.103 910 L CA 1.250 55.994 54.840 -0.160 0.000 0.769 910 L CB -0.490 41.475 42.059 -0.156 0.000 0.908 910 L HN 0.590 nan 8.230 nan 0.000 0.438 911 G N 0.714 109.422 108.800 -0.154 0.000 2.442 911 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.219 911 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.219 911 G C 0.936 175.746 174.900 -0.149 0.000 1.141 911 G CA 0.214 45.222 45.100 -0.152 0.000 0.763 911 G HN 0.164 nan 8.290 nan 0.000 0.554 912 L N 1.604 122.755 121.223 -0.120 0.000 2.426 912 L HA 0.261 4.601 4.340 -0.001 0.000 0.271 912 L C 1.356 178.158 176.870 -0.112 0.000 1.169 912 L CA -0.486 54.298 54.840 -0.093 0.000 0.836 912 L CB 0.630 42.657 42.059 -0.054 0.000 1.112 912 L HN 0.164 nan 8.230 nan 0.000 0.465 913 T N -1.739 112.759 114.554 -0.094 0.000 2.802 913 T HA 0.019 4.369 4.350 -0.001 0.000 0.305 913 T C 0.763 175.430 174.700 -0.055 0.000 1.053 913 T CA -0.318 61.733 62.100 -0.082 0.000 1.058 913 T CB 0.827 69.659 68.868 -0.061 0.000 0.988 913 T HN 0.619 nan 8.240 nan 0.000 0.539 914 D N 1.279 121.649 120.400 -0.051 0.000 2.092 914 D HA -0.070 4.570 4.640 -0.001 0.000 0.193 914 D C 2.041 178.332 176.300 -0.015 0.000 0.994 914 D CA 1.645 55.622 54.000 -0.039 0.000 0.828 914 D CB -0.370 40.401 40.800 -0.049 0.000 0.963 914 D HN 0.774 nan 8.370 nan 0.000 0.450 915 E N 0.873 121.059 120.200 -0.023 0.000 2.086 915 E HA -0.214 4.136 4.350 -0.001 0.000 0.200 915 E C 1.982 178.581 176.600 -0.002 0.000 1.012 915 E CA 1.395 57.782 56.400 -0.023 0.000 0.812 915 E CB -0.269 29.415 29.700 -0.028 0.000 0.743 915 E HN 0.493 nan 8.360 nan 0.000 0.453 916 E N 0.476 120.678 120.200 0.003 0.000 2.077 916 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 916 E C 2.173 178.814 176.600 0.069 0.000 0.989 916 E CA 1.041 57.456 56.400 0.024 0.000 0.800 916 E CB -0.280 29.423 29.700 0.006 0.000 0.746 916 E HN 0.304 nan 8.360 nan 0.000 0.452 917 A N 1.479 124.340 122.820 0.069 0.000 1.902 917 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 917 A C 2.594 180.326 177.584 0.247 0.000 1.181 917 A CA 1.368 53.498 52.037 0.154 0.000 0.623 917 A CB -0.753 18.315 19.000 0.113 0.000 0.818 917 A HN 0.128 nan 8.150 nan 0.000 0.443 918 V N -0.164 119.854 119.914 0.174 0.000 2.343 918 V HA -0.328 3.792 4.120 -0.001 0.000 0.247 918 V C 2.610 178.788 176.094 0.140 0.000 1.051 918 V CA 2.225 64.633 62.300 0.180 0.000 1.036 918 V CB -1.051 30.769 31.823 -0.005 0.000 0.654 918 V HN 0.626 nan 8.190 nan 0.000 0.451 919 Q N -0.443 119.402 119.800 0.075 0.000 2.061 919 Q HA -0.290 4.049 4.340 -0.001 0.000 0.204 919 Q C 2.231 178.280 176.000 0.082 0.000 0.984 919 Q CA 2.346 58.182 55.803 0.054 0.000 0.846 919 Q CB -0.383 28.375 28.738 0.034 0.000 0.902 919 Q HN 0.879 nan 8.270 nan 0.000 0.421 920 H N 0.092 119.165 119.070 0.005 0.000 2.319 920 H HA -0.179 4.377 4.556 -0.001 0.000 0.299 920 H C 1.941 177.199 175.328 -0.116 0.000 1.092 920 H CA 1.644 57.674 56.048 -0.031 0.000 1.302 920 H CB -0.085 29.677 29.762 0.000 0.000 1.373 920 H HN 0.188 nan 8.280 nan 0.000 0.497 921 L N 0.689 121.921 121.223 0.015 0.000 2.093 921 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 921 L C 2.664 179.417 176.870 -0.195 0.000 1.085 921 L CA 1.913 56.592 54.840 -0.268 0.000 0.755 921 L CB -0.764 41.007 42.059 -0.479 0.000 0.904 921 L HN 0.516 nan 8.230 nan 0.000 0.435 922 Q N -1.274 118.572 119.800 0.076 0.000 2.096 922 Q HA -0.254 4.086 4.340 -0.001 0.000 0.204 922 Q C 2.329 178.319 176.000 -0.017 0.000 0.982 922 Q CA 2.040 57.930 55.803 0.145 0.000 0.850 922 Q CB -0.203 28.658 28.738 0.206 0.000 0.901 922 Q HN 0.618 nan 8.270 nan 0.000 0.422 923 S N 0.142 115.789 115.700 -0.087 0.000 2.353 923 S HA -0.157 4.312 4.470 -0.001 0.000 0.222 923 S C 1.969 176.475 174.600 -0.157 0.000 1.035 923 S CA 1.427 59.552 58.200 -0.125 0.000 1.025 923 S CB -0.417 62.676 63.200 -0.178 0.000 0.902 923 S HN 0.515 nan 8.310 nan 0.000 0.440 924 L N 0.769 121.838 121.223 -0.258 0.000 2.093 924 L HA -0.018 4.321 4.340 -0.001 0.000 0.208 924 L C 2.643 179.418 176.870 -0.157 0.000 1.085 924 L CA 0.932 55.629 54.840 -0.238 0.000 0.755 924 L CB -0.771 41.072 42.059 -0.361 0.000 0.904 924 L HN 0.354 nan 8.230 nan 0.000 0.435 925 L N -0.149 120.978 121.223 -0.161 0.000 2.012 925 L HA -0.253 4.087 4.340 -0.001 0.000 0.210 925 L C 2.381 179.249 176.870 -0.003 0.000 1.073 925 L CA 1.357 56.148 54.840 -0.081 0.000 0.748 925 L CB -0.585 41.410 42.059 -0.107 0.000 0.891 925 L HN 0.302 nan 8.230 nan 0.000 0.431 926 D N -0.376 120.022 120.400 -0.004 0.000 2.097 926 D HA -0.152 4.488 4.640 -0.001 0.000 0.195 926 D C 2.266 178.564 176.300 -0.003 0.000 0.989 926 D CA 1.263 55.273 54.000 0.017 0.000 0.827 926 D CB -0.210 40.596 40.800 0.008 0.000 0.966 926 D HN 0.109 nan 8.370 nan 0.000 0.456 927 V N 0.753 120.650 119.914 -0.028 0.000 2.287 927 V HA -0.231 3.889 4.120 -0.001 0.000 0.248 927 V C 2.531 178.616 176.094 -0.015 0.000 1.053 927 V CA 1.822 64.104 62.300 -0.030 0.000 1.027 927 V CB -0.693 31.103 31.823 -0.044 0.000 0.646 927 V HN 0.114 nan 8.190 nan 0.000 0.447 928 S N -0.124 115.570 115.700 -0.011 0.000 2.368 928 S HA -0.045 4.424 4.470 -0.001 0.000 0.224 928 S C 1.903 176.516 174.600 0.022 0.000 1.029 928 S CA 1.554 59.757 58.200 0.005 0.000 0.988 928 S CB -0.333 62.872 63.200 0.008 0.000 0.838 928 S HN 0.503 nan 8.310 nan 0.000 0.462 929 I N 1.936 122.532 120.570 0.043 0.000 2.226 929 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 929 I C 2.828 178.960 176.117 0.025 0.000 1.100 929 I CA 1.564 62.901 61.300 0.062 0.000 1.374 929 I CB -0.972 37.101 38.000 0.121 0.000 1.057 929 I HN 0.420 nan 8.210 nan 0.000 0.413 930 T N -0.365 114.193 114.554 0.008 0.000 2.746 930 T HA -0.143 4.207 4.350 -0.001 0.000 0.267 930 T C 2.067 176.760 174.700 -0.012 0.000 1.039 930 T CA 1.026 63.118 62.100 -0.014 0.000 1.142 930 T CB -0.703 68.146 68.868 -0.031 0.000 0.866 930 T HN 0.351 nan 8.240 nan 0.000 0.444 931 A N 1.012 123.828 122.820 -0.007 0.000 1.873 931 A HA -0.031 4.288 4.320 -0.001 0.000 0.218 931 A C 2.688 180.271 177.584 -0.001 0.000 1.193 931 A CA 1.883 53.918 52.037 -0.004 0.000 0.629 931 A CB -1.351 17.646 19.000 -0.004 0.000 0.826 931 A HN 0.391 nan 8.150 nan 0.000 0.447 932 V N 0.286 120.201 119.914 0.001 0.000 2.358 932 V HA -0.093 4.026 4.120 -0.001 0.000 0.246 932 V C 1.007 177.097 176.094 -0.007 0.000 1.047 932 V CA 1.091 63.391 62.300 -0.001 0.000 1.035 932 V CB -0.460 31.366 31.823 0.005 0.000 0.658 932 V HN 0.501 nan 8.190 nan 0.000 0.452 933 M N 1.248 120.844 119.600 -0.008 0.000 2.238 933 M HA 0.200 4.680 4.480 -0.001 0.000 0.347 933 M C -1.240 175.048 176.300 -0.020 0.000 1.173 933 M CA -2.099 53.191 55.300 -0.017 0.000 1.147 933 M CB -0.068 32.518 32.600 -0.023 0.000 1.547 933 M HN 0.051 nan 8.290 nan 0.000 0.455 934 P HA 0.056 nan 4.420 nan 0.000 0.226 934 P C 0.938 178.221 177.300 -0.028 0.000 1.161 934 P CA 1.029 64.114 63.100 -0.026 0.000 0.804 934 P CB 0.111 31.792 31.700 -0.031 0.000 0.829 935 A N 0.333 123.133 122.820 -0.033 0.000 1.929 935 A HA -0.038 4.282 4.320 -0.001 0.000 0.216 935 A C 2.294 179.851 177.584 -0.046 0.000 1.176 935 A CA 1.061 53.076 52.037 -0.037 0.000 0.628 935 A CB -1.496 17.481 19.000 -0.040 0.000 0.816 935 A HN 0.113 nan 8.150 nan 0.000 0.444 936 L N -1.021 120.171 121.223 -0.050 0.000 2.240 936 L HA -0.059 4.281 4.340 -0.001 0.000 0.211 936 L C 2.404 179.233 176.870 -0.068 0.000 1.106 936 L CA 0.434 55.229 54.840 -0.075 0.000 0.793 936 L CB -0.333 41.686 42.059 -0.066 0.000 0.927 936 L HN 0.261 nan 8.230 nan 0.000 0.446 937 V N 0.049 119.952 119.914 -0.018 0.000 2.427 937 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 937 V C 2.392 178.565 176.094 0.132 0.000 1.051 937 V CA 1.740 64.071 62.300 0.051 0.000 1.048 937 V CB -0.130 31.729 31.823 0.061 0.000 0.666 937 V HN 0.463 nan 8.190 nan 0.000 0.456 938 E N -0.821 119.404 120.200 0.041 0.000 2.107 938 E HA -0.258 4.091 4.350 -0.001 0.000 0.191 938 E C 2.143 178.761 176.600 0.031 0.000 0.982 938 E CA 1.111 57.532 56.400 0.036 0.000 0.809 938 E CB -0.091 29.601 29.700 -0.014 0.000 0.756 938 E HN 0.643 nan 8.360 nan 0.000 0.459 939 Q N 0.818 120.580 119.800 -0.064 0.000 2.079 939 Q HA -0.137 4.202 4.340 -0.001 0.000 0.200 939 Q C 2.250 178.018 176.000 -0.387 0.000 0.974 939 Q CA 0.837 56.520 55.803 -0.200 0.000 0.840 939 Q CB 0.038 28.610 28.738 -0.276 0.000 0.898 939 Q HN 0.294 nan 8.270 nan 0.000 0.430 940 I N 0.242 120.631 120.570 -0.301 0.000 2.286 940 I HA -0.301 3.869 4.170 -0.001 0.000 0.248 940 I C 2.120 178.160 176.117 -0.127 0.000 1.115 940 I CA 1.081 62.201 61.300 -0.300 0.000 1.392 940 I CB -0.308 37.565 38.000 -0.212 0.000 1.065 940 I HN 0.384 nan 8.210 nan 0.000 0.418 941 H N 0.387 119.434 119.070 -0.037 0.000 2.389 941 H HA -0.062 4.494 4.556 -0.001 0.000 0.299 941 H C 2.251 177.644 175.328 0.107 0.000 1.081 941 H CA 1.074 57.144 56.048 0.037 0.000 1.345 941 H CB 0.047 29.820 29.762 0.018 0.000 1.393 941 H HN 0.311 nan 8.280 nan 0.000 0.520 942 R N -0.078 120.558 120.500 0.227 0.000 2.148 942 R HA -0.072 4.267 4.340 -0.001 0.000 0.227 942 R C 2.149 178.707 176.300 0.430 0.000 1.103 942 R CA 0.794 57.063 56.100 0.281 0.000 0.983 942 R CB -0.119 30.337 30.300 0.261 0.000 0.874 942 R HN 0.313 nan 8.270 nan 0.000 0.451 943 F N 0.223 120.226 119.950 0.088 0.000 2.187 943 F HA -0.152 4.375 4.527 -0.000 0.000 0.295 943 F C 2.676 178.594 175.800 0.198 0.000 1.091 943 F CA 0.970 59.031 58.000 0.101 0.000 1.308 943 F CB -0.296 38.730 39.000 0.043 0.000 1.030 943 F HN 0.114 nan 8.300 nan 0.000 0.487 944 T N -1.280 113.470 114.554 0.327 0.000 2.652 944 T HA -0.316 4.033 4.350 -0.001 0.000 0.267 944 T C 1.665 176.521 174.700 0.261 0.000 1.039 944 T CA 1.460 63.699 62.100 0.232 0.000 1.153 944 T CB -0.719 68.205 68.868 0.092 0.000 0.863 944 T HN 0.087 nan 8.240 nan 0.000 0.428 945 Q N 0.334 120.276 119.800 0.236 0.000 2.133 945 Q HA -0.173 4.166 4.340 -0.001 0.000 0.208 945 Q C 1.925 178.041 176.000 0.193 0.000 0.991 945 Q CA 1.928 57.847 55.803 0.193 0.000 0.867 945 Q CB -0.833 28.014 28.738 0.182 0.000 0.911 945 Q HN 0.818 nan 8.270 nan 0.000 0.417 946 Y N -1.720 118.639 120.300 0.097 0.000 2.207 946 Y HA -0.248 4.301 4.550 -0.001 0.000 0.287 946 Y C 1.322 177.174 175.900 -0.080 0.000 1.156 946 Y CA 1.725 59.813 58.100 -0.019 0.000 1.182 946 Y CB -0.298 38.114 38.460 -0.081 0.000 0.979 946 Y HN 0.210 nan 8.280 nan 0.000 0.521 947 W N 1.263 122.598 121.300 0.058 0.000 2.658 947 W HA 0.088 4.747 4.660 -0.001 0.000 0.263 947 W C 1.257 177.731 176.519 -0.075 0.000 1.274 947 W CA 0.492 57.806 57.345 -0.052 0.000 1.343 947 W CB 0.029 29.525 29.460 0.060 0.000 1.106 947 W HN -0.275 nan 8.180 nan 0.000 0.615 948 R N 2.277 122.871 120.500 0.157 0.000 2.543 948 R HA 0.291 4.631 4.340 -0.001 0.000 0.277 948 R C -0.231 176.067 176.300 -0.003 0.000 1.074 948 R CA 0.663 56.813 56.100 0.084 0.000 1.076 948 R CB 0.690 31.043 30.300 0.088 0.000 0.993 948 R HN -0.054 nan 8.270 nan 0.000 0.459 949 K N 0.000 120.396 120.400 -0.006 0.000 2.780 949 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 949 K CA 0.000 56.267 56.287 -0.033 0.000 0.838 949 K CB 0.000 32.448 32.500 -0.087 0.000 1.064 949 K HN 0.000 nan 8.250 nan 0.000 0.543