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 3ihy_1_E DATA FIRST_RESID -2 DATA SEQUENCE SMXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXSDHDLK PNAATRDQLN DATA SEQUENCE IIVSYPPTKQ LTYEEQDLVW KFRYYLTNQE KALTKFLKCV NWDLPQEAKQ DATA SEQUENCE ALELLGKWKP MDVEDSLELL SSHYTNPTVR RYAVARLRQA DDEDLLMYLL DATA SEQUENCE QLVQALKYEN FDDIKNGLXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXQDLCT FLISRACKNS TLANYLYWYV DATA SEQUENCE IVECEDQDTQ QRDPKTHEMY LNVMRRFSQA LLKGDKSVRV MRSLLAAQQT DATA SEQUENCE FVDRLVHLMK AVQRESGNRK KKNERLQALL GDNEKMNLSD VELIPLPLEP DATA SEQUENCE QVKIRGIIPE TATLFKSALM PAQLFFKTED GGKYPVIFKH GDDLRQDQLI DATA SEQUENCE LQIISLMDKL LRKENLDLKL TPYKVLATST KHGFMQFIQS VPVAEVLDTE DATA SEQUENCE GSIQNFFRKY APSENGPNGI SAEVMDTYVK SCAGYCVITY ILGVGDRHLD DATA SEQUENCE NLLLTKTGKL FHIDFGYILG RDPKPLPPPM KLNKEMVEGM GGTQSEQYQE DATA SEQUENCE FRKQCYTAFL HLRRYSNLIL NLFSLMVDAN IPDIALEPDK TVKKVQDKFR DATA SEQUENCE LDLSDEEAVH YMQSLIDESV HALF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.565 174.600 -0.058 0.000 1.055 -2 S CA 0.000 58.173 58.200 -0.046 0.000 1.107 -2 S CB 0.000 63.173 63.200 -0.046 0.000 0.593 283 D N 0.885 121.028 120.400 -0.427 0.000 2.339 283 D HA 0.052 4.692 4.640 -0.000 0.000 0.217 283 D C 0.941 176.961 176.300 -0.466 0.000 1.050 283 D CA 0.159 53.949 54.000 -0.350 0.000 0.856 283 D CB -0.033 40.639 40.800 -0.214 0.000 0.922 283 D HN 0.563 nan 8.370 nan 0.000 0.518 284 H N 1.007 119.720 119.070 -0.596 0.000 2.422 284 H HA -0.076 4.480 4.556 0.000 0.000 0.298 284 H C 0.717 175.845 175.328 -0.333 0.000 1.098 284 H CA 1.068 56.648 56.048 -0.780 0.000 1.315 284 H CB 0.049 29.472 29.762 -0.566 0.000 1.382 284 H HN 0.225 nan 8.280 nan 0.000 0.523 285 D N -0.361 119.988 120.400 -0.086 0.000 2.431 285 D HA 0.150 4.790 4.640 -0.000 0.000 0.213 285 D C 0.014 176.318 176.300 0.008 0.000 1.130 285 D CA -0.133 53.855 54.000 -0.019 0.000 0.834 285 D CB 0.520 41.306 40.800 -0.024 0.000 0.985 285 D HN 0.094 nan 8.370 nan 0.000 0.504 286 L N 1.645 122.858 121.223 -0.017 0.000 2.499 286 L HA 0.145 4.485 4.340 -0.000 0.000 0.273 286 L C 0.396 177.367 176.870 0.168 0.000 1.195 286 L CA 0.436 55.276 54.840 -0.001 0.000 0.882 286 L CB 0.321 42.250 42.059 -0.218 0.000 1.133 286 L HN -0.142 nan 8.230 nan 0.000 0.483 287 K N 4.457 124.963 120.400 0.176 0.000 2.292 287 K HA 0.534 4.854 4.320 -0.000 0.000 0.257 287 K C -2.519 174.113 176.600 0.053 0.000 0.940 287 K CA -1.948 54.392 56.287 0.087 0.000 0.811 287 K CB 1.580 34.110 32.500 0.049 0.000 1.120 287 K HN 0.246 nan 8.250 nan 0.000 0.428 288 P HA 0.054 nan 4.420 nan 0.000 0.277 288 P C -0.815 176.303 177.300 -0.303 0.000 1.240 288 P CA -0.615 62.128 63.100 -0.595 0.000 0.798 288 P CB 0.461 31.452 31.700 -1.181 0.000 0.979 289 N N 0.791 119.370 118.700 -0.202 0.000 2.285 289 N HA 0.105 4.845 4.740 -0.000 0.000 0.262 289 N C 1.061 176.485 175.510 -0.144 0.000 1.299 289 N CA 0.056 53.031 53.050 -0.125 0.000 0.930 289 N CB -0.631 37.814 38.487 -0.070 0.000 1.157 289 N HN 0.315 nan 8.380 nan 0.000 0.532 290 A N -0.646 122.120 122.820 -0.090 0.000 1.898 290 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 290 A C 2.206 179.740 177.584 -0.083 0.000 1.181 290 A CA 2.141 54.132 52.037 -0.076 0.000 0.620 290 A CB -1.520 17.451 19.000 -0.048 0.000 0.819 290 A HN 0.870 nan 8.150 nan 0.000 0.442 291 A N -0.257 122.518 122.820 -0.075 0.000 1.930 291 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 291 A C 2.380 179.907 177.584 -0.094 0.000 1.175 291 A CA 2.390 54.387 52.037 -0.066 0.000 0.627 291 A CB -1.248 17.725 19.000 -0.045 0.000 0.815 291 A HN 0.726 nan 8.150 nan 0.000 0.443 292 T N -2.990 111.479 114.554 -0.143 0.000 3.023 292 T HA 0.007 4.357 4.350 -0.000 0.000 0.266 292 T C 1.905 176.434 174.700 -0.285 0.000 1.093 292 T CA 0.851 62.821 62.100 -0.218 0.000 1.129 292 T CB -0.222 68.470 68.868 -0.293 0.000 0.899 292 T HN 0.449 nan 8.240 nan 0.000 0.491 293 R N 1.093 121.441 120.500 -0.253 0.000 2.075 293 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 293 R C 2.066 178.304 176.300 -0.105 0.000 1.126 293 R CA 1.684 57.671 56.100 -0.189 0.000 0.963 293 R CB -0.275 29.951 30.300 -0.123 0.000 0.858 293 R HN 0.404 nan 8.270 nan 0.000 0.435 294 D N 0.372 120.719 120.400 -0.088 0.000 2.084 294 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 294 D C 2.061 178.322 176.300 -0.066 0.000 0.990 294 D CA 1.035 54.999 54.000 -0.060 0.000 0.826 294 D CB -0.261 40.511 40.800 -0.046 0.000 0.971 294 D HN 0.167 nan 8.370 nan 0.000 0.453 295 Q N 0.144 119.898 119.800 -0.076 0.000 2.062 295 Q HA -0.170 4.170 4.340 -0.000 0.000 0.209 295 Q C 2.623 178.565 176.000 -0.097 0.000 0.996 295 Q CA 0.954 56.713 55.803 -0.073 0.000 0.859 295 Q CB -0.469 28.230 28.738 -0.066 0.000 0.920 295 Q HN 0.371 nan 8.270 nan 0.000 0.415 296 L N 0.948 122.108 121.223 -0.105 0.000 2.012 296 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 296 L C 2.119 178.941 176.870 -0.079 0.000 1.073 296 L CA 1.074 55.865 54.840 -0.082 0.000 0.748 296 L CB -0.566 41.453 42.059 -0.067 0.000 0.891 296 L HN 0.243 nan 8.230 nan 0.000 0.431 297 N N -0.075 118.589 118.700 -0.060 0.000 2.205 297 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 297 N C 1.749 177.205 175.510 -0.090 0.000 1.015 297 N CA 1.197 54.215 53.050 -0.053 0.000 0.862 297 N CB -0.158 38.310 38.487 -0.032 0.000 0.986 297 N HN 0.216 nan 8.380 nan 0.000 0.429 298 I N 1.537 122.041 120.570 -0.110 0.000 2.090 298 I HA -0.213 3.957 4.170 -0.000 0.000 0.236 298 I C 2.336 178.215 176.117 -0.396 0.000 1.064 298 I CA 0.822 62.043 61.300 -0.132 0.000 1.324 298 I CB -1.250 36.714 38.000 -0.061 0.000 1.044 298 I HN 0.006 nan 8.210 nan 0.000 0.399 299 I N 0.373 120.585 120.570 -0.596 0.000 2.113 299 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 299 I C 2.624 178.405 176.117 -0.559 0.000 1.064 299 I CA 1.381 62.095 61.300 -0.977 0.000 1.320 299 I CB -0.564 37.157 38.000 -0.465 0.000 1.028 299 I HN -0.009 nan 8.210 nan 0.000 0.406 300 V N 0.536 120.308 119.914 -0.237 0.000 2.469 300 V HA -0.254 3.866 4.120 -0.000 0.000 0.251 300 V C 2.027 178.085 176.094 -0.060 0.000 1.064 300 V CA 2.140 64.386 62.300 -0.090 0.000 1.066 300 V CB -0.743 31.068 31.823 -0.021 0.000 0.667 300 V HN 0.659 nan 8.190 nan 0.000 0.461 301 S N -1.777 113.880 115.700 -0.071 0.000 2.685 301 S HA 0.175 4.645 4.470 -0.000 0.000 0.240 301 S C 0.171 174.840 174.600 0.115 0.000 0.967 301 S CA -0.451 57.750 58.200 0.002 0.000 1.009 301 S CB -0.445 62.752 63.200 -0.006 0.000 0.776 301 S HN 0.391 nan 8.310 nan 0.000 0.467 302 Y N 2.637 122.924 120.300 -0.021 0.000 2.301 302 Y HA 0.472 5.022 4.550 -0.000 0.000 0.328 302 Y C -2.163 173.715 175.900 -0.037 0.000 1.242 302 Y CA -3.071 55.013 58.100 -0.027 0.000 1.323 302 Y CB -0.203 38.243 38.460 -0.024 0.000 1.266 302 Y HN 0.165 nan 8.280 nan 0.000 0.527 303 P HA 0.031 nan 4.420 nan 0.000 0.269 303 P C -1.855 175.458 177.300 0.021 0.000 1.215 303 P CA -0.866 62.247 63.100 0.021 0.000 0.780 303 P CB 0.248 31.937 31.700 -0.018 0.000 0.898 304 P HA -0.175 nan 4.420 nan 0.000 0.216 304 P C 0.814 178.083 177.300 -0.052 0.000 1.150 304 P CA 2.066 65.160 63.100 -0.011 0.000 0.843 304 P CB -0.541 31.154 31.700 -0.010 0.000 0.787 305 T N -4.295 110.223 114.554 -0.061 0.000 3.069 305 T HA 0.130 4.480 4.350 -0.000 0.000 0.252 305 T C 0.713 175.347 174.700 -0.109 0.000 1.053 305 T CA -0.403 61.628 62.100 -0.116 0.000 0.964 305 T CB -0.209 68.620 68.868 -0.064 0.000 1.005 305 T HN 0.045 nan 8.240 nan 0.000 0.532 306 K N 2.908 123.256 120.400 -0.087 0.000 2.412 306 K HA 0.038 4.358 4.320 -0.000 0.000 0.284 306 K C -0.078 176.473 176.600 -0.081 0.000 1.046 306 K CA -0.215 56.004 56.287 -0.113 0.000 0.999 306 K CB 0.361 32.745 32.500 -0.193 0.000 0.941 306 K HN 0.134 nan 8.250 nan 0.000 0.474 307 Q N 4.136 123.880 119.800 -0.093 0.000 2.286 307 Q HA 0.149 4.489 4.340 -0.000 0.000 0.257 307 Q C -0.038 175.923 176.000 -0.065 0.000 0.941 307 Q CA -0.151 55.601 55.803 -0.085 0.000 0.912 307 Q CB 0.871 29.553 28.738 -0.093 0.000 1.192 307 Q HN 0.577 nan 8.270 nan 0.000 0.410 308 L N 2.049 123.248 121.223 -0.041 0.000 2.395 308 L HA 0.207 4.547 4.340 -0.000 0.000 0.269 308 L C 1.252 178.050 176.870 -0.120 0.000 1.133 308 L CA -0.476 54.369 54.840 0.009 0.000 0.812 308 L CB 0.558 42.640 42.059 0.039 0.000 1.125 308 L HN 0.700 nan 8.230 nan 0.000 0.452 309 T N -1.616 112.899 114.554 -0.064 0.000 2.748 309 T HA 0.033 4.383 4.350 -0.000 0.000 0.304 309 T C 0.991 175.610 174.700 -0.136 0.000 1.041 309 T CA 0.021 62.041 62.100 -0.134 0.000 1.033 309 T CB 0.436 69.302 68.868 -0.004 0.000 0.995 309 T HN 0.355 nan 8.240 nan 0.000 0.536 310 Y N -0.384 119.933 120.300 0.028 0.000 2.373 310 Y HA 0.086 4.636 4.550 -0.000 0.000 0.293 310 Y C 2.753 178.670 175.900 0.028 0.000 1.129 310 Y CA 1.064 59.174 58.100 0.016 0.000 1.226 310 Y CB -0.396 38.065 38.460 0.001 0.000 1.000 310 Y HN 0.823 nan 8.280 nan 0.000 0.549 311 E N 0.674 120.978 120.200 0.173 0.000 2.051 311 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 311 E C 1.605 178.274 176.600 0.115 0.000 0.991 311 E CA 1.505 57.980 56.400 0.125 0.000 0.799 311 E CB 0.065 29.824 29.700 0.098 0.000 0.748 311 E HN 0.598 nan 8.360 nan 0.000 0.449 312 E N 0.243 120.501 120.200 0.096 0.000 2.072 312 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 312 E C 2.283 178.951 176.600 0.113 0.000 0.985 312 E CA 0.901 57.355 56.400 0.090 0.000 0.801 312 E CB -0.053 29.692 29.700 0.076 0.000 0.750 312 E HN 0.305 nan 8.360 nan 0.000 0.452 313 Q N 0.667 120.529 119.800 0.103 0.000 2.096 313 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 313 Q C 1.635 177.747 176.000 0.188 0.000 0.982 313 Q CA 1.449 57.326 55.803 0.123 0.000 0.850 313 Q CB -0.022 28.765 28.738 0.082 0.000 0.901 313 Q HN 0.231 nan 8.270 nan 0.000 0.422 314 D N 0.322 120.824 120.400 0.170 0.000 2.144 314 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 314 D C 1.728 178.184 176.300 0.259 0.000 0.978 314 D CA 0.624 54.740 54.000 0.194 0.000 0.833 314 D CB -0.123 40.754 40.800 0.129 0.000 0.961 314 D HN 0.075 nan 8.370 nan 0.000 0.470 315 L N 0.308 121.671 121.223 0.233 0.000 2.017 315 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 315 L C 2.299 179.388 176.870 0.366 0.000 1.073 315 L CA 1.165 56.180 54.840 0.292 0.000 0.745 315 L CB -0.345 41.833 42.059 0.198 0.000 0.894 315 L HN -0.099 nan 8.230 nan 0.000 0.432 316 V N -1.062 119.033 119.914 0.302 0.000 2.287 316 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 316 V C 2.115 178.458 176.094 0.415 0.000 1.053 316 V CA 2.198 64.701 62.300 0.338 0.000 1.027 316 V CB -0.864 31.135 31.823 0.293 0.000 0.646 316 V HN 0.710 nan 8.190 nan 0.000 0.447 317 W N 1.468 122.921 121.300 0.255 0.000 2.354 317 W HA -0.236 4.424 4.660 -0.000 0.000 0.315 317 W C 2.567 179.180 176.519 0.157 0.000 1.206 317 W CA 2.315 59.808 57.345 0.247 0.000 1.290 317 W CB -0.377 29.162 29.460 0.132 0.000 1.152 317 W HN 0.263 nan 8.180 nan 0.000 0.489 318 K N -0.142 120.424 120.400 0.276 0.000 2.089 318 K HA -0.261 4.059 4.320 -0.000 0.000 0.210 318 K C 1.458 177.867 176.600 -0.319 0.000 1.048 318 K CA 2.148 58.413 56.287 -0.035 0.000 0.926 318 K CB -0.813 31.631 32.500 -0.094 0.000 0.714 318 K HN 0.093 nan 8.250 nan 0.000 0.448 319 F N 1.399 121.373 119.950 0.041 0.000 2.668 319 F HA 0.237 4.764 4.527 -0.000 0.000 0.297 319 F C 1.525 177.325 175.800 -0.000 0.000 1.124 319 F CA -0.450 57.565 58.000 0.025 0.000 1.353 319 F CB 0.303 39.307 39.000 0.005 0.000 0.992 319 F HN 0.041 nan 8.300 nan 0.000 0.524 320 R N -0.672 119.801 120.500 -0.046 0.000 2.117 320 R HA -0.259 4.081 4.340 -0.000 0.000 0.243 320 R C 1.170 177.154 176.300 -0.527 0.000 1.143 320 R CA 1.984 57.896 56.100 -0.314 0.000 0.968 320 R CB -1.333 28.564 30.300 -0.671 0.000 0.863 320 R HN 0.283 nan 8.270 nan 0.000 0.444 321 Y N 0.266 120.401 120.300 -0.273 0.000 2.163 321 Y HA -0.231 4.319 4.550 -0.000 0.000 0.288 321 Y C 2.561 178.332 175.900 -0.215 0.000 1.136 321 Y CA 1.679 59.620 58.100 -0.267 0.000 1.147 321 Y CB -0.728 37.660 38.460 -0.119 0.000 0.987 321 Y HN 0.061 nan 8.280 nan 0.000 0.509 322 Y N -0.036 120.250 120.300 -0.024 0.000 2.114 322 Y HA -0.271 4.279 4.550 0.000 0.000 0.282 322 Y C 1.996 177.793 175.900 -0.171 0.000 1.165 322 Y CA 1.407 59.482 58.100 -0.041 0.000 1.148 322 Y CB -0.572 37.944 38.460 0.093 0.000 0.972 322 Y HN 0.031 nan 8.280 nan 0.000 0.504 323 L N 0.126 121.297 121.223 -0.087 0.000 2.549 323 L HA -0.131 4.209 4.340 -0.000 0.000 0.229 323 L C 2.291 178.782 176.870 -0.631 0.000 1.158 323 L CA 1.722 56.455 54.840 -0.177 0.000 0.842 323 L CB -1.677 40.467 42.059 0.142 0.000 0.952 323 L HN 0.268 nan 8.230 nan 0.000 0.452 324 T N -1.095 112.819 114.554 -1.066 0.000 3.139 324 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 324 T C 1.714 175.796 174.700 -1.030 0.000 1.164 324 T CA 1.000 62.097 62.100 -1.673 0.000 1.075 324 T CB -0.238 67.989 68.868 -1.068 0.000 0.904 324 T HN 0.447 nan 8.240 nan 0.000 0.540 325 N N -0.437 117.908 118.700 -0.593 0.000 2.460 325 N HA 0.098 4.838 4.740 -0.000 0.000 0.193 325 N C -0.112 175.303 175.510 -0.159 0.000 1.080 325 N CA 0.014 52.865 53.050 -0.333 0.000 0.869 325 N CB 0.622 38.904 38.487 -0.342 0.000 1.201 325 N HN 0.431 nan 8.380 nan 0.000 0.457 326 Q N 1.645 121.386 119.800 -0.098 0.000 2.295 326 Q HA 0.028 4.368 4.340 -0.000 0.000 0.259 326 Q C 0.857 176.992 176.000 0.225 0.000 0.976 326 Q CA -0.167 55.657 55.803 0.035 0.000 0.923 326 Q CB 1.255 30.009 28.738 0.027 0.000 1.185 326 Q HN 0.286 nan 8.270 nan 0.000 0.410 327 E N 3.083 123.383 120.200 0.168 0.000 2.285 327 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 327 E C 0.448 177.120 176.600 0.120 0.000 0.997 327 E CA 0.827 57.355 56.400 0.212 0.000 0.845 327 E CB 0.160 29.941 29.700 0.135 0.000 0.782 327 E HN 0.338 nan 8.360 nan 0.000 0.491 328 K N 0.894 121.344 120.400 0.084 0.000 2.442 328 K HA 0.094 4.414 4.320 -0.000 0.000 0.198 328 K C 1.830 178.459 176.600 0.049 0.000 1.042 328 K CA 0.906 57.217 56.287 0.041 0.000 0.958 328 K CB -0.160 32.352 32.500 0.020 0.000 0.766 328 K HN 0.264 nan 8.250 nan 0.000 0.474 329 A N 0.872 123.772 122.820 0.133 0.000 2.072 329 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 329 A C 2.030 179.596 177.584 -0.030 0.000 1.156 329 A CA 0.376 52.510 52.037 0.162 0.000 0.701 329 A CB -0.234 18.984 19.000 0.363 0.000 0.816 329 A HN 0.196 nan 8.150 nan 0.000 0.458 330 L N 0.925 121.945 121.223 -0.337 0.000 2.042 330 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 330 L C 2.590 179.221 176.870 -0.399 0.000 1.076 330 L CA 3.035 57.321 54.840 -0.924 0.000 0.749 330 L CB -1.132 40.324 42.059 -1.006 0.000 0.893 330 L HN 0.531 nan 8.230 nan 0.000 0.432 331 T N -3.787 110.656 114.554 -0.184 0.000 2.867 331 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 331 T C 1.902 176.614 174.700 0.021 0.000 1.057 331 T CA 0.798 62.865 62.100 -0.055 0.000 1.136 331 T CB -0.333 68.529 68.868 -0.009 0.000 0.874 331 T HN 0.183 nan 8.240 nan 0.000 0.466 332 K N 1.100 121.511 120.400 0.019 0.000 2.002 332 K HA 0.051 4.371 4.320 -0.000 0.000 0.209 332 K C 1.852 178.503 176.600 0.084 0.000 1.048 332 K CA 0.975 57.298 56.287 0.060 0.000 0.930 332 K CB -1.210 31.331 32.500 0.068 0.000 0.714 332 K HN 0.456 nan 8.250 nan 0.000 0.438 333 F N 2.107 122.020 119.950 -0.063 0.000 2.091 333 F HA -0.191 4.335 4.527 -0.000 0.000 0.299 333 F C 1.955 177.759 175.800 0.006 0.000 1.103 333 F CA 1.422 59.394 58.000 -0.047 0.000 1.228 333 F CB -0.440 38.392 39.000 -0.280 0.000 0.984 333 F HN -0.095 nan 8.300 nan 0.000 0.477 334 L N -0.078 121.022 121.223 -0.205 0.000 2.201 334 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 334 L C 2.253 179.252 176.870 0.215 0.000 1.105 334 L CA 1.202 56.029 54.840 -0.021 0.000 0.775 334 L CB -0.652 41.485 42.059 0.131 0.000 0.913 334 L HN 0.058 nan 8.230 nan 0.000 0.440 335 K N -0.957 119.527 120.400 0.140 0.000 2.555 335 K HA -0.061 4.259 4.320 -0.000 0.000 0.193 335 K C 1.680 178.274 176.600 -0.010 0.000 1.032 335 K CA 0.397 56.727 56.287 0.072 0.000 1.004 335 K CB -0.066 32.444 32.500 0.018 0.000 0.804 335 K HN 0.377 nan 8.250 nan 0.000 0.496 336 C N 0.047 119.292 119.300 -0.092 0.000 2.865 336 C HA 0.164 4.624 4.460 -0.000 0.000 0.280 336 C C 0.760 175.595 174.990 -0.258 0.000 1.255 336 C CA -0.566 58.383 59.018 -0.115 0.000 1.705 336 C CB 0.149 27.878 27.740 -0.018 0.000 2.080 336 C HN 0.001 nan 8.230 nan 0.000 0.591 337 V N 3.609 123.245 119.914 -0.463 0.000 2.775 337 V HA 0.124 4.244 4.120 -0.000 0.000 0.299 337 V C -0.311 175.285 176.094 -0.830 0.000 1.062 337 V CA 0.272 62.087 62.300 -0.808 0.000 1.063 337 V CB 0.610 31.594 31.823 -1.398 0.000 0.994 337 V HN 0.517 nan 8.190 nan 0.000 0.483 338 N N 3.340 121.631 118.700 -0.681 0.000 3.105 338 N HA 0.221 4.961 4.740 -0.000 0.000 0.256 338 N C -0.081 175.246 175.510 -0.305 0.000 1.174 338 N CA -0.468 52.347 53.050 -0.391 0.000 1.030 338 N CB 0.045 38.339 38.487 -0.321 0.000 1.305 338 N HN 0.733 nan 8.380 nan 0.000 0.509 339 W N 0.016 121.290 121.300 -0.043 0.000 2.632 339 W HA -0.002 4.658 4.660 0.000 0.000 0.248 339 W C -0.014 176.494 176.519 -0.018 0.000 1.259 339 W CA -0.065 57.270 57.345 -0.017 0.000 1.288 339 W CB 0.163 29.623 29.460 -0.000 0.000 1.136 339 W HN 0.216 nan 8.180 nan 0.000 0.640 340 D N 0.604 121.074 120.400 0.117 0.000 3.071 340 D HA 0.239 4.879 4.640 -0.000 0.000 0.259 340 D C -0.603 175.701 176.300 0.006 0.000 1.331 340 D CA 0.280 54.317 54.000 0.062 0.000 0.861 340 D CB -0.127 40.699 40.800 0.044 0.000 1.059 340 D HN 0.068 nan 8.370 nan 0.000 0.486 341 L N 0.593 121.812 121.223 -0.007 0.000 2.573 341 L HA 0.243 4.583 4.340 -0.000 0.000 0.260 341 L C -1.949 174.917 176.870 -0.006 0.000 0.997 341 L CA -1.773 53.044 54.840 -0.038 0.000 0.890 341 L CB 2.773 44.767 42.059 -0.108 0.000 1.179 341 L HN -0.208 nan 8.230 nan 0.000 0.439 342 P HA -0.237 nan 4.420 nan 0.000 0.217 342 P C 0.967 178.297 177.300 0.049 0.000 1.151 342 P CA 1.054 64.182 63.100 0.047 0.000 0.849 342 P CB 0.373 32.096 31.700 0.038 0.000 0.787 343 Q N -0.039 119.777 119.800 0.027 0.000 2.049 343 Q HA -0.124 4.216 4.340 -0.000 0.000 0.198 343 Q C 2.056 178.094 176.000 0.063 0.000 0.971 343 Q CA 1.673 57.502 55.803 0.043 0.000 0.833 343 Q CB -0.706 28.047 28.738 0.025 0.000 0.896 343 Q HN 0.335 nan 8.270 nan 0.000 0.434 344 E N -0.224 119.977 120.200 0.002 0.000 2.047 344 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 344 E C 1.904 178.524 176.600 0.032 0.000 0.987 344 E CA 0.855 57.260 56.400 0.008 0.000 0.799 344 E CB -0.228 29.302 29.700 -0.282 0.000 0.752 344 E HN 0.387 nan 8.360 nan 0.000 0.449 345 A N 2.345 125.141 122.820 -0.040 0.000 1.927 345 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 345 A C 2.148 179.829 177.584 0.163 0.000 1.185 345 A CA 1.714 53.778 52.037 0.045 0.000 0.639 345 A CB -0.447 18.686 19.000 0.222 0.000 0.820 345 A HN -0.018 nan 8.150 nan 0.000 0.451 346 K N -0.091 120.395 120.400 0.142 0.000 2.032 346 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 346 K C 2.128 178.824 176.600 0.161 0.000 1.048 346 K CA 2.188 58.562 56.287 0.144 0.000 0.927 346 K CB -0.469 32.099 32.500 0.114 0.000 0.712 346 K HN 0.742 nan 8.250 nan 0.000 0.441 347 Q N -0.665 119.247 119.800 0.186 0.000 2.096 347 Q HA 0.023 4.363 4.340 -0.000 0.000 0.197 347 Q C 2.120 178.250 176.000 0.216 0.000 0.964 347 Q CA 1.033 56.958 55.803 0.204 0.000 0.838 347 Q CB -0.152 28.742 28.738 0.261 0.000 0.906 347 Q HN 0.352 nan 8.270 nan 0.000 0.444 348 A N 1.476 124.459 122.820 0.272 0.000 1.927 348 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 348 A C 2.069 179.833 177.584 0.298 0.000 1.185 348 A CA 1.439 53.672 52.037 0.327 0.000 0.639 348 A CB -0.820 18.204 19.000 0.040 0.000 0.820 348 A HN 0.303 nan 8.150 nan 0.000 0.451 349 L N -1.395 119.974 121.223 0.243 0.000 2.109 349 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 349 L C 2.568 179.519 176.870 0.135 0.000 1.086 349 L CA 1.424 56.380 54.840 0.193 0.000 0.760 349 L CB -0.768 41.404 42.059 0.187 0.000 0.910 349 L HN 0.496 nan 8.230 nan 0.000 0.437 350 E N 0.621 120.898 120.200 0.129 0.000 2.023 350 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 350 E C 2.358 179.000 176.600 0.069 0.000 1.003 350 E CA 1.262 57.719 56.400 0.096 0.000 0.809 350 E CB -0.185 29.576 29.700 0.101 0.000 0.755 350 E HN 0.369 nan 8.360 nan 0.000 0.449 351 L N 0.585 121.839 121.223 0.052 0.000 2.043 351 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 351 L C 2.585 179.545 176.870 0.150 0.000 1.075 351 L CA 0.652 55.488 54.840 -0.007 0.000 0.752 351 L CB -0.394 41.609 42.059 -0.093 0.000 0.891 351 L HN 0.241 nan 8.230 nan 0.000 0.432 352 L N 0.157 121.470 121.223 0.150 0.000 2.043 352 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 352 L C 2.304 179.189 176.870 0.026 0.000 1.075 352 L CA 2.300 57.151 54.840 0.018 0.000 0.752 352 L CB -1.233 40.781 42.059 -0.075 0.000 0.891 352 L HN 0.167 nan 8.230 nan 0.000 0.432 353 G N -0.804 108.038 108.800 0.070 0.000 2.422 353 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 353 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 353 G C 1.559 176.515 174.900 0.093 0.000 1.146 353 G CA 0.594 45.752 45.100 0.097 0.000 0.769 353 G HN 0.328 nan 8.290 nan 0.000 0.547 354 K N -0.607 119.828 120.400 0.058 0.000 2.148 354 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 354 K C 1.046 177.656 176.600 0.016 0.000 1.050 354 K CA -0.050 56.236 56.287 -0.002 0.000 0.942 354 K CB -0.288 32.150 32.500 -0.104 0.000 0.724 354 K HN 0.346 nan 8.250 nan 0.000 0.446 355 W N 3.390 124.627 121.300 -0.105 0.000 2.170 355 W HA -0.030 4.630 4.660 -0.000 0.000 0.342 355 W C 0.383 176.879 176.519 -0.039 0.000 1.294 355 W CA -0.058 57.220 57.345 -0.111 0.000 1.246 355 W CB 0.353 29.725 29.460 -0.146 0.000 1.156 355 W HN -0.094 nan 8.180 nan 0.000 0.572 356 K N 4.795 125.332 120.400 0.228 0.000 2.472 356 K HA -0.001 4.319 4.320 -0.000 0.000 0.280 356 K C -2.091 174.679 176.600 0.283 0.000 1.028 356 K CA -0.935 55.467 56.287 0.193 0.000 1.045 356 K CB -0.147 32.432 32.500 0.132 0.000 0.902 356 K HN 0.046 nan 8.250 nan 0.000 0.478 357 P HA 0.000 nan 4.420 nan 0.000 0.271 357 P C -0.155 177.228 177.300 0.139 0.000 1.216 357 P CA -0.046 63.177 63.100 0.205 0.000 0.771 357 P CB 0.449 32.213 31.700 0.107 0.000 0.864 358 M N 0.677 120.362 119.600 0.143 0.000 2.226 358 M HA 0.289 4.769 4.480 -0.000 0.000 0.324 358 M C -0.044 176.274 176.300 0.031 0.000 1.112 358 M CA -0.091 55.253 55.300 0.073 0.000 1.176 358 M CB 0.043 32.676 32.600 0.055 0.000 1.430 358 M HN 0.131 nan 8.290 nan 0.000 0.462 359 D N 1.371 121.783 120.400 0.021 0.000 2.378 359 D HA 0.018 4.658 4.640 -0.000 0.000 0.238 359 D C 1.280 177.580 176.300 -0.001 0.000 1.180 359 D CA -0.325 53.683 54.000 0.013 0.000 0.895 359 D CB 0.904 41.715 40.800 0.017 0.000 1.192 359 D HN 0.502 nan 8.370 nan 0.000 0.438 360 V N 1.218 121.138 119.914 0.009 0.000 2.287 360 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 360 V C 2.204 178.293 176.094 -0.009 0.000 1.053 360 V CA 2.188 64.494 62.300 0.009 0.000 1.027 360 V CB -0.517 31.344 31.823 0.062 0.000 0.646 360 V HN 0.657 nan 8.190 nan 0.000 0.447 361 E N -0.430 119.762 120.200 -0.014 0.000 2.511 361 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 361 E C 1.152 177.691 176.600 -0.102 0.000 1.066 361 E CA 1.061 57.390 56.400 -0.119 0.000 0.871 361 E CB -0.322 29.295 29.700 -0.139 0.000 0.863 361 E HN 0.626 nan 8.360 nan 0.000 0.520 362 D N 1.204 121.574 120.400 -0.051 0.000 2.234 362 D HA -0.099 4.541 4.640 -0.000 0.000 0.205 362 D C 1.934 178.209 176.300 -0.042 0.000 0.962 362 D CA 1.498 55.474 54.000 -0.040 0.000 0.855 362 D CB 0.182 40.970 40.800 -0.020 0.000 0.951 362 D HN 0.307 nan 8.370 nan 0.000 0.500 363 S N -0.002 115.669 115.700 -0.049 0.000 2.428 363 S HA -0.084 4.386 4.470 -0.000 0.000 0.230 363 S C 2.006 176.576 174.600 -0.051 0.000 1.014 363 S CA 0.312 58.482 58.200 -0.049 0.000 0.957 363 S CB -0.543 62.612 63.200 -0.075 0.000 0.784 363 S HN 0.243 nan 8.310 nan 0.000 0.499 364 L N 1.479 122.662 121.223 -0.067 0.000 2.089 364 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 364 L C 2.927 179.797 176.870 -0.000 0.000 1.079 364 L CA 2.164 56.972 54.840 -0.053 0.000 0.758 364 L CB -0.754 41.229 42.059 -0.127 0.000 0.891 364 L HN 0.515 nan 8.230 nan 0.000 0.433 365 E N 0.386 120.588 120.200 0.003 0.000 2.097 365 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 365 E C 1.940 178.621 176.600 0.135 0.000 1.000 365 E CA 1.300 57.737 56.400 0.062 0.000 0.804 365 E CB 0.004 29.737 29.700 0.055 0.000 0.740 365 E HN 0.275 nan 8.360 nan 0.000 0.454 366 L N 0.514 121.738 121.223 0.002 0.000 2.622 366 L HA -0.011 4.329 4.340 -0.000 0.000 0.233 366 L C 1.518 178.386 176.870 -0.003 0.000 1.156 366 L CA 1.052 55.787 54.840 -0.175 0.000 0.866 366 L CB -0.129 41.735 42.059 -0.325 0.000 0.980 366 L HN 0.269 nan 8.230 nan 0.000 0.448 367 L N -1.920 119.349 121.223 0.077 0.000 2.693 367 L HA 0.186 4.526 4.340 -0.000 0.000 0.235 367 L C 1.336 178.326 176.870 0.199 0.000 1.127 367 L CA -0.163 54.752 54.840 0.126 0.000 0.914 367 L CB -0.063 42.060 42.059 0.106 0.000 1.193 367 L HN 0.228 nan 8.230 nan 0.000 0.502 368 S N -0.693 115.090 115.700 0.138 0.000 2.626 368 S HA 0.016 4.486 4.470 -0.000 0.000 0.257 368 S C 1.559 175.910 174.600 -0.415 0.000 1.288 368 S CA 0.050 58.223 58.200 -0.046 0.000 0.980 368 S CB 1.109 64.344 63.200 0.058 0.000 0.975 368 S HN 0.283 nan 8.310 nan 0.000 0.577 369 S N -0.257 114.881 115.700 -0.936 0.000 2.442 369 S HA -0.165 4.305 4.470 -0.000 0.000 0.236 369 S C 1.392 175.701 174.600 -0.485 0.000 1.007 369 S CA 1.303 58.910 58.200 -0.989 0.000 0.965 369 S CB -1.134 61.541 63.200 -0.876 0.000 0.773 369 S HN 0.859 nan 8.310 nan 0.000 0.504 370 H N 0.079 118.921 119.070 -0.380 0.000 2.518 370 H HA 0.166 4.722 4.556 -0.000 0.000 0.289 370 H C -0.461 174.542 175.328 -0.540 0.000 1.051 370 H CA 1.141 56.924 56.048 -0.442 0.000 1.280 370 H CB -0.164 29.270 29.762 -0.548 0.000 1.380 370 H HN 0.506 nan 8.280 nan 0.000 0.566 371 Y N -0.534 119.701 120.300 -0.109 0.000 2.331 371 Y HA 0.229 4.779 4.550 0.000 0.000 0.334 371 Y C 0.929 176.699 175.900 -0.217 0.000 0.960 371 Y CA -0.794 57.189 58.100 -0.195 0.000 1.130 371 Y CB 1.791 40.139 38.460 -0.188 0.000 1.164 371 Y HN 0.003 nan 8.280 nan 0.000 0.458 372 T N -2.469 112.008 114.554 -0.129 0.000 2.985 372 T HA 0.060 4.410 4.350 -0.000 0.000 0.254 372 T C 0.445 175.029 174.700 -0.193 0.000 1.021 372 T CA -0.343 61.676 62.100 -0.134 0.000 0.957 372 T CB 0.022 68.817 68.868 -0.121 0.000 1.047 372 T HN 0.529 nan 8.240 nan 0.000 0.511 373 N N 3.255 121.738 118.700 -0.361 0.000 2.414 373 N HA 0.041 4.781 4.740 -0.000 0.000 0.268 373 N C -1.754 173.624 175.510 -0.221 0.000 1.286 373 N CA -1.051 51.768 53.050 -0.386 0.000 0.896 373 N CB 1.414 39.430 38.487 -0.785 0.000 1.093 373 N HN 0.040 nan 8.380 nan 0.000 0.480 374 P HA -0.138 nan 4.420 nan 0.000 0.216 374 P C 1.107 178.369 177.300 -0.064 0.000 1.157 374 P CA 1.708 64.766 63.100 -0.070 0.000 0.880 374 P CB 0.101 31.780 31.700 -0.034 0.000 0.791 375 T N -0.950 113.569 114.554 -0.058 0.000 2.788 375 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 375 T C 1.831 176.511 174.700 -0.035 0.000 1.044 375 T CA 1.154 63.244 62.100 -0.017 0.000 1.139 375 T CB -0.948 67.933 68.868 0.021 0.000 0.867 375 T HN -0.090 nan 8.240 nan 0.000 0.454 376 V N 1.567 121.398 119.914 -0.139 0.000 2.307 376 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 376 V C 2.591 178.612 176.094 -0.122 0.000 1.045 376 V CA 1.531 63.716 62.300 -0.192 0.000 1.024 376 V CB -0.517 31.056 31.823 -0.417 0.000 0.651 376 V HN 0.400 nan 8.190 nan 0.000 0.449 377 R N -0.169 120.257 120.500 -0.123 0.000 2.120 377 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 377 R C 2.488 178.761 176.300 -0.045 0.000 1.123 377 R CA 1.279 57.335 56.100 -0.073 0.000 0.975 377 R CB -0.351 29.924 30.300 -0.041 0.000 0.866 377 R HN 0.447 nan 8.270 nan 0.000 0.446 378 R N -0.341 120.143 120.500 -0.026 0.000 2.092 378 R HA -0.156 4.184 4.340 -0.000 0.000 0.231 378 R C 2.070 178.353 176.300 -0.028 0.000 1.119 378 R CA 1.421 57.506 56.100 -0.025 0.000 0.970 378 R CB -0.369 29.930 30.300 -0.002 0.000 0.864 378 R HN 0.251 nan 8.270 nan 0.000 0.440 379 Y N 1.052 121.289 120.300 -0.105 0.000 2.165 379 Y HA -0.272 4.278 4.550 0.000 0.000 0.286 379 Y C 2.161 177.983 175.900 -0.130 0.000 1.155 379 Y CA 1.446 59.485 58.100 -0.102 0.000 1.164 379 Y CB -0.301 38.100 38.460 -0.098 0.000 0.978 379 Y HN 0.074 nan 8.280 nan 0.000 0.513 380 A N -0.556 122.229 122.820 -0.058 0.000 1.877 380 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 380 A C 2.325 179.754 177.584 -0.259 0.000 1.186 380 A CA 2.172 54.124 52.037 -0.142 0.000 0.620 380 A CB -1.347 17.603 19.000 -0.084 0.000 0.822 380 A HN 0.340 nan 8.150 nan 0.000 0.443 381 V N -0.037 119.715 119.914 -0.270 0.000 2.295 381 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 381 V C 3.071 178.850 176.094 -0.525 0.000 1.049 381 V CA 1.902 63.922 62.300 -0.466 0.000 1.024 381 V CB -1.455 30.147 31.823 -0.368 0.000 0.648 381 V HN 0.634 nan 8.190 nan 0.000 0.447 382 A N 0.308 122.910 122.820 -0.363 0.000 1.940 382 A HA -0.295 4.025 4.320 -0.000 0.000 0.221 382 A C 2.300 179.674 177.584 -0.351 0.000 1.190 382 A CA 2.204 54.046 52.037 -0.326 0.000 0.647 382 A CB -0.503 18.310 19.000 -0.311 0.000 0.821 382 A HN 0.456 nan 8.150 nan 0.000 0.457 383 R N -0.632 119.618 120.500 -0.417 0.000 2.115 383 R HA 0.108 4.448 4.340 -0.000 0.000 0.226 383 R C 2.075 178.248 176.300 -0.212 0.000 1.100 383 R CA 0.816 56.728 56.100 -0.312 0.000 0.980 383 R CB -1.106 29.007 30.300 -0.311 0.000 0.875 383 R HN 0.600 nan 8.270 nan 0.000 0.445 384 L N 0.655 121.709 121.223 -0.282 0.000 2.131 384 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 384 L C 2.449 179.236 176.870 -0.137 0.000 1.092 384 L CA 1.108 55.814 54.840 -0.222 0.000 0.759 384 L CB -0.267 41.561 42.059 -0.386 0.000 0.903 384 L HN 0.142 nan 8.230 nan 0.000 0.435 385 R N -0.328 120.007 120.500 -0.275 0.000 2.249 385 R HA -0.167 4.173 4.340 -0.000 0.000 0.230 385 R C 2.010 178.346 176.300 0.060 0.000 1.121 385 R CA 0.778 56.891 56.100 0.021 0.000 0.997 385 R CB -0.102 30.180 30.300 -0.030 0.000 0.867 385 R HN 0.481 nan 8.270 nan 0.000 0.465 386 Q N -0.075 119.725 119.800 0.001 0.000 2.311 386 Q HA 0.102 4.442 4.340 -0.000 0.000 0.203 386 Q C 0.688 176.717 176.000 0.048 0.000 0.954 386 Q CA 0.496 56.309 55.803 0.017 0.000 0.885 386 Q CB -0.054 28.679 28.738 -0.009 0.000 0.963 386 Q HN 0.193 nan 8.270 nan 0.000 0.471 387 A N 2.917 125.784 122.820 0.079 0.000 2.462 387 A HA 0.191 4.511 4.320 -0.000 0.000 0.243 387 A C 0.014 177.635 177.584 0.063 0.000 1.076 387 A CA -0.388 51.702 52.037 0.089 0.000 0.773 387 A CB 0.040 19.125 19.000 0.141 0.000 1.010 387 A HN 0.268 nan 8.150 nan 0.000 0.493 388 D N 0.793 121.206 120.400 0.021 0.000 2.411 388 D HA 0.143 4.783 4.640 -0.000 0.000 0.251 388 D C 0.231 176.510 176.300 -0.035 0.000 1.201 388 D CA -0.423 53.576 54.000 -0.002 0.000 0.996 388 D CB 0.386 41.179 40.800 -0.011 0.000 1.101 388 D HN 0.372 nan 8.370 nan 0.000 0.504 389 D N -0.794 119.580 120.400 -0.043 0.000 2.178 389 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 389 D C 1.497 177.734 176.300 -0.105 0.000 0.980 389 D CA 0.973 54.933 54.000 -0.066 0.000 0.842 389 D CB 0.007 40.776 40.800 -0.051 0.000 0.948 389 D HN 0.725 nan 8.370 nan 0.000 0.472 390 E N 0.598 120.737 120.200 -0.102 0.000 2.047 390 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 390 E C 1.295 177.765 176.600 -0.217 0.000 0.987 390 E CA 1.044 57.366 56.400 -0.129 0.000 0.799 390 E CB 0.212 29.856 29.700 -0.093 0.000 0.752 390 E HN 0.096 nan 8.360 nan 0.000 0.449 391 D N 0.605 120.861 120.400 -0.241 0.000 2.144 391 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 391 D C 2.031 177.845 176.300 -0.809 0.000 0.978 391 D CA 0.522 54.242 54.000 -0.467 0.000 0.833 391 D CB -0.182 40.463 40.800 -0.258 0.000 0.961 391 D HN 0.194 nan 8.370 nan 0.000 0.470 392 L N 0.778 121.759 121.223 -0.403 0.000 2.131 392 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 392 L C 2.011 178.727 176.870 -0.257 0.000 1.092 392 L CA 1.024 55.707 54.840 -0.261 0.000 0.759 392 L CB -0.474 41.547 42.059 -0.065 0.000 0.903 392 L HN -0.013 nan 8.230 nan 0.000 0.435 393 L N -1.010 120.058 121.223 -0.258 0.000 2.201 393 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 393 L C 2.173 178.907 176.870 -0.228 0.000 1.105 393 L CA 1.677 56.391 54.840 -0.210 0.000 0.775 393 L CB -0.422 41.505 42.059 -0.220 0.000 0.913 393 L HN 0.312 nan 8.230 nan 0.000 0.440 394 M N -2.172 117.219 119.600 -0.347 0.000 2.419 394 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 394 M C 0.826 177.124 176.300 -0.003 0.000 1.082 394 M CA 0.972 56.134 55.300 -0.230 0.000 1.119 394 M CB -0.078 32.362 32.600 -0.267 0.000 1.398 394 M HN 0.190 nan 8.290 nan 0.000 0.453 395 Y N -1.338 118.942 120.300 -0.032 0.000 2.467 395 Y HA 0.164 4.714 4.550 0.000 0.000 0.250 395 Y C 1.684 177.580 175.900 -0.007 0.000 1.155 395 Y CA -0.715 57.371 58.100 -0.023 0.000 1.249 395 Y CB -0.809 37.654 38.460 0.005 0.000 1.146 395 Y HN 0.067 nan 8.280 nan 0.000 0.524 396 L N 0.376 121.666 121.223 0.112 0.000 2.017 396 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 396 L C 2.160 179.090 176.870 0.099 0.000 1.073 396 L CA 1.457 56.383 54.840 0.143 0.000 0.745 396 L CB -0.926 41.242 42.059 0.182 0.000 0.894 396 L HN 0.250 nan 8.230 nan 0.000 0.432 397 L N -0.685 120.493 121.223 -0.075 0.000 2.043 397 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 397 L C 2.442 179.168 176.870 -0.240 0.000 1.075 397 L CA 1.882 56.423 54.840 -0.499 0.000 0.752 397 L CB -0.603 41.090 42.059 -0.611 0.000 0.891 397 L HN 0.378 nan 8.230 nan 0.000 0.432 398 Q N -0.965 118.771 119.800 -0.106 0.000 2.083 398 Q HA -0.056 4.284 4.340 -0.000 0.000 0.198 398 Q C 2.229 178.245 176.000 0.027 0.000 0.969 398 Q CA 1.556 57.331 55.803 -0.045 0.000 0.838 398 Q CB -0.359 28.362 28.738 -0.028 0.000 0.900 398 Q HN 0.485 nan 8.270 nan 0.000 0.436 399 L N -0.421 120.843 121.223 0.069 0.000 2.079 399 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 399 L C 2.101 179.027 176.870 0.093 0.000 1.081 399 L CA 0.810 55.714 54.840 0.107 0.000 0.752 399 L CB -0.544 41.607 42.059 0.153 0.000 0.896 399 L HN 0.126 nan 8.230 nan 0.000 0.433 400 V N -0.713 119.246 119.914 0.075 0.000 2.332 400 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 400 V C 2.575 178.742 176.094 0.121 0.000 1.055 400 V CA 1.536 63.898 62.300 0.104 0.000 1.038 400 V CB -0.513 31.363 31.823 0.088 0.000 0.651 400 V HN 0.492 nan 8.190 nan 0.000 0.450 401 Q N -0.095 119.732 119.800 0.044 0.000 2.084 401 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 401 Q C 2.489 178.470 176.000 -0.032 0.000 0.978 401 Q CA 1.807 57.632 55.803 0.037 0.000 0.844 401 Q CB -0.747 27.996 28.738 0.009 0.000 0.898 401 Q HN 0.645 nan 8.270 nan 0.000 0.426 402 A N 1.097 123.936 122.820 0.032 0.000 2.032 402 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 402 A C 2.203 179.751 177.584 -0.059 0.000 1.165 402 A CA 1.076 53.153 52.037 0.067 0.000 0.645 402 A CB -0.826 18.273 19.000 0.165 0.000 0.807 402 A HN 0.344 nan 8.150 nan 0.000 0.453 403 L N -0.907 120.295 121.223 -0.035 0.000 2.263 403 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 403 L C 2.303 179.094 176.870 -0.132 0.000 1.111 403 L CA 1.561 56.362 54.840 -0.064 0.000 0.773 403 L CB -0.370 41.640 42.059 -0.082 0.000 0.906 403 L HN 0.379 nan 8.230 nan 0.000 0.439 404 K N -0.770 119.443 120.400 -0.312 0.000 2.360 404 K HA -0.154 4.166 4.320 -0.000 0.000 0.201 404 K C 0.893 177.358 176.600 -0.226 0.000 1.046 404 K CA 1.103 57.227 56.287 -0.272 0.000 0.945 404 K CB -0.023 32.167 32.500 -0.517 0.000 0.750 404 K HN 0.326 nan 8.250 nan 0.000 0.464 405 Y N 0.647 120.994 120.300 0.078 0.000 2.507 405 Y HA 0.242 4.792 4.550 -0.000 0.000 0.254 405 Y C 0.536 176.421 175.900 -0.024 0.000 1.171 405 Y CA -0.505 57.590 58.100 -0.010 0.000 1.238 405 Y CB 0.068 38.532 38.460 0.007 0.000 1.148 405 Y HN -0.117 nan 8.280 nan 0.000 0.525 406 E N 0.674 120.944 120.200 0.118 0.000 2.292 406 E HA 0.090 4.440 4.350 -0.000 0.000 0.258 406 E C -0.403 176.244 176.600 0.077 0.000 1.115 406 E CA -0.651 55.807 56.400 0.097 0.000 0.929 406 E CB 0.794 30.554 29.700 0.101 0.000 1.161 406 E HN 0.036 nan 8.360 nan 0.000 0.453 407 N N 1.543 120.287 118.700 0.073 0.000 2.401 407 N HA 0.000 4.740 4.740 -0.000 0.000 0.255 407 N C 0.588 176.223 175.510 0.209 0.000 1.110 407 N CA 0.018 53.104 53.050 0.059 0.000 0.949 407 N CB 0.153 38.656 38.487 0.027 0.000 1.110 407 N HN 0.227 nan 8.380 nan 0.000 0.490 408 F N 2.291 122.214 119.950 -0.046 0.000 2.075 408 F HA -0.145 4.382 4.527 -0.000 0.000 0.297 408 F C 1.919 177.695 175.800 -0.040 0.000 1.113 408 F CA 0.826 58.790 58.000 -0.059 0.000 1.218 408 F CB -0.786 38.179 39.000 -0.058 0.000 0.984 408 F HN 0.436 nan 8.300 nan 0.000 0.472 409 D N 0.370 120.875 120.400 0.175 0.000 2.157 409 D HA -0.194 4.446 4.640 -0.000 0.000 0.191 409 D C 1.911 178.247 176.300 0.061 0.000 1.004 409 D CA 1.745 55.797 54.000 0.088 0.000 0.854 409 D CB -0.433 40.401 40.800 0.057 0.000 0.936 409 D HN 0.216 nan 8.370 nan 0.000 0.446 410 D N -0.097 120.341 120.400 0.062 0.000 2.078 410 D HA -0.084 4.556 4.640 -0.000 0.000 0.193 410 D C 2.404 178.727 176.300 0.038 0.000 0.990 410 D CA 0.375 54.401 54.000 0.044 0.000 0.827 410 D CB -0.436 40.390 40.800 0.043 0.000 0.975 410 D HN 0.237 nan 8.370 nan 0.000 0.451 411 I N 1.094 121.689 120.570 0.042 0.000 2.113 411 I HA -0.349 3.821 4.170 -0.000 0.000 0.242 411 I C 2.513 178.630 176.117 -0.001 0.000 1.057 411 I CA 1.528 62.835 61.300 0.011 0.000 1.314 411 I CB -0.229 37.758 38.000 -0.022 0.000 1.022 411 I HN 0.013 nan 8.210 nan 0.000 0.408 412 K N 0.750 121.150 120.400 -0.001 0.000 2.097 412 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 412 K C 1.708 178.312 176.600 0.007 0.000 1.050 412 K CA 1.562 57.846 56.287 -0.005 0.000 0.938 412 K CB -0.053 32.446 32.500 -0.003 0.000 0.718 412 K HN 0.262 nan 8.250 nan 0.000 0.442 413 N N 0.435 119.145 118.700 0.017 0.000 2.573 413 N HA -0.065 4.675 4.740 -0.000 0.000 0.187 413 N C 1.315 176.835 175.510 0.016 0.000 1.107 413 N CA 0.984 54.045 53.050 0.017 0.000 0.918 413 N CB -0.066 38.434 38.487 0.021 0.000 0.966 413 N HN 0.379 nan 8.380 nan 0.000 0.448 414 G N 0.153 108.963 108.800 0.017 0.000 3.026 414 G HA2 0.211 4.171 3.960 -0.000 0.000 0.208 414 G HA3 0.211 4.171 3.960 -0.000 0.000 0.208 414 G C 0.441 175.350 174.900 0.015 0.000 1.169 414 G CA -0.086 45.025 45.100 0.018 0.000 0.788 414 G HN 0.218 nan 8.290 nan 0.000 0.533 474 D N 2.038 122.468 120.400 0.050 0.000 2.388 474 D HA 0.082 4.722 4.640 -0.000 0.000 0.254 474 D C 0.942 177.297 176.300 0.090 0.000 1.111 474 D CA -0.630 53.399 54.000 0.048 0.000 0.993 474 D CB 0.977 41.804 40.800 0.044 0.000 1.118 474 D HN 0.472 nan 8.370 nan 0.000 0.502 475 L N 1.034 122.307 121.223 0.084 0.000 2.013 475 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 475 L C 2.426 179.400 176.870 0.173 0.000 1.073 475 L CA 1.830 56.756 54.840 0.144 0.000 0.753 475 L CB -0.831 41.292 42.059 0.108 0.000 0.890 475 L HN 0.776 nan 8.230 nan 0.000 0.432 476 C N -1.000 118.357 119.300 0.095 0.000 2.442 476 C HA -0.201 4.259 4.460 -0.000 0.000 0.279 476 C C 2.762 177.781 174.990 0.049 0.000 1.237 476 C CA 1.725 60.774 59.018 0.051 0.000 1.722 476 C CB -1.113 26.641 27.740 0.024 0.000 2.056 476 C HN 0.684 nan 8.230 nan 0.000 0.469 477 T N 0.741 115.338 114.554 0.071 0.000 2.665 477 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 477 T C 1.426 176.180 174.700 0.091 0.000 1.035 477 T CA 2.065 64.207 62.100 0.071 0.000 1.151 477 T CB -0.657 68.258 68.868 0.080 0.000 0.862 477 T HN 0.656 nan 8.240 nan 0.000 0.438 478 F N 1.689 121.634 119.950 -0.008 0.000 2.069 478 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 478 F C 1.990 177.777 175.800 -0.021 0.000 1.113 478 F CA 1.149 59.143 58.000 -0.010 0.000 1.214 478 F CB -0.659 38.337 39.000 -0.008 0.000 0.978 478 F HN 0.058 nan 8.300 nan 0.000 0.474 479 L N -0.141 120.979 121.223 -0.172 0.000 2.017 479 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 479 L C 2.585 179.255 176.870 -0.333 0.000 1.073 479 L CA 1.631 56.272 54.840 -0.332 0.000 0.745 479 L CB -0.690 41.304 42.059 -0.108 0.000 0.894 479 L HN 0.214 nan 8.230 nan 0.000 0.432 480 I N -0.809 119.624 120.570 -0.229 0.000 2.127 480 I HA -0.383 3.787 4.170 -0.000 0.000 0.241 480 I C 2.880 178.932 176.117 -0.108 0.000 1.075 480 I CA 1.653 62.835 61.300 -0.196 0.000 1.334 480 I CB -0.387 37.584 38.000 -0.048 0.000 1.040 480 I HN 0.290 nan 8.210 nan 0.000 0.405 481 S N 0.877 116.519 115.700 -0.096 0.000 2.368 481 S HA -0.260 4.210 4.470 -0.000 0.000 0.226 481 S C 2.303 176.832 174.600 -0.119 0.000 1.044 481 S CA 1.516 59.673 58.200 -0.071 0.000 1.062 481 S CB -0.220 62.952 63.200 -0.046 0.000 0.931 481 S HN 0.260 nan 8.310 nan 0.000 0.440 482 R N 1.098 121.439 120.500 -0.264 0.000 2.120 482 R HA 0.092 4.432 4.340 -0.000 0.000 0.234 482 R C 2.618 178.828 176.300 -0.149 0.000 1.123 482 R CA 1.232 57.180 56.100 -0.254 0.000 0.975 482 R CB -1.553 28.472 30.300 -0.458 0.000 0.866 482 R HN 0.596 nan 8.270 nan 0.000 0.446 483 A N 0.484 123.216 122.820 -0.146 0.000 1.933 483 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 483 A C 2.507 180.142 177.584 0.086 0.000 1.175 483 A CA 1.550 53.565 52.037 -0.037 0.000 0.628 483 A CB -0.803 18.108 19.000 -0.149 0.000 0.814 483 A HN 0.409 nan 8.150 nan 0.000 0.444 484 C N -0.526 118.827 119.300 0.088 0.000 2.419 484 C HA -0.024 4.436 4.460 -0.000 0.000 0.283 484 C C 2.211 177.215 174.990 0.023 0.000 1.373 484 C CA 1.171 60.233 59.018 0.075 0.000 1.781 484 C CB -0.998 26.775 27.740 0.055 0.000 1.886 484 C HN 0.557 nan 8.230 nan 0.000 0.520 485 K N 0.266 120.666 120.400 0.000 0.000 2.358 485 K HA 0.109 4.429 4.320 -0.000 0.000 0.197 485 K C 0.174 176.767 176.600 -0.012 0.000 1.025 485 K CA 0.125 56.406 56.287 -0.010 0.000 1.104 485 K CB 0.110 32.598 32.500 -0.021 0.000 0.855 485 K HN 0.347 nan 8.250 nan 0.000 0.531 486 N N 0.452 119.149 118.700 -0.005 0.000 2.572 486 N HA 0.005 4.745 4.740 -0.000 0.000 0.287 486 N C 0.286 175.804 175.510 0.014 0.000 1.136 486 N CA 0.041 53.089 53.050 -0.004 0.000 0.900 486 N CB 1.722 40.197 38.487 -0.019 0.000 1.484 486 N HN -0.046 nan 8.380 nan 0.000 0.526 487 S N 1.712 117.416 115.700 0.007 0.000 2.382 487 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 487 S C 1.599 176.212 174.600 0.021 0.000 1.027 487 S CA 1.587 59.789 58.200 0.004 0.000 0.991 487 S CB -0.358 62.830 63.200 -0.019 0.000 0.823 487 S HN 0.559 nan 8.310 nan 0.000 0.469 488 T N 2.881 117.457 114.554 0.037 0.000 2.674 488 T HA 0.072 4.422 4.350 -0.000 0.000 0.265 488 T C 1.741 176.538 174.700 0.161 0.000 1.039 488 T CA 1.396 63.554 62.100 0.097 0.000 1.150 488 T CB -0.594 68.335 68.868 0.103 0.000 0.864 488 T HN 0.247 nan 8.240 nan 0.000 0.427 489 L N 0.558 121.835 121.223 0.091 0.000 2.042 489 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 489 L C 2.934 179.852 176.870 0.080 0.000 1.076 489 L CA 1.348 56.228 54.840 0.066 0.000 0.749 489 L CB -0.558 41.492 42.059 -0.016 0.000 0.893 489 L HN 0.274 nan 8.230 nan 0.000 0.432 490 A N -0.320 122.560 122.820 0.100 0.000 1.940 490 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 490 A C 1.963 179.674 177.584 0.212 0.000 1.176 490 A CA 2.309 54.482 52.037 0.226 0.000 0.631 490 A CB -0.785 18.351 19.000 0.226 0.000 0.814 490 A HN 0.512 nan 8.150 nan 0.000 0.446 491 N N -1.674 117.080 118.700 0.089 0.000 2.039 491 N HA -0.162 4.578 4.740 -0.000 0.000 0.193 491 N C 1.566 177.082 175.510 0.010 0.000 1.044 491 N CA 1.933 54.989 53.050 0.010 0.000 0.847 491 N CB -0.367 38.056 38.487 -0.106 0.000 1.030 491 N HN 0.530 nan 8.380 nan 0.000 0.422 492 Y N 0.164 120.430 120.300 -0.058 0.000 2.224 492 Y HA -0.093 4.457 4.550 -0.000 0.000 0.289 492 Y C 1.974 177.639 175.900 -0.392 0.000 1.146 492 Y CA 0.662 58.549 58.100 -0.355 0.000 1.182 492 Y CB -0.434 37.766 38.460 -0.433 0.000 0.983 492 Y HN 0.165 nan 8.280 nan 0.000 0.524 493 L N -0.730 120.495 121.223 0.004 0.000 2.046 493 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 493 L C 2.193 179.066 176.870 0.006 0.000 1.077 493 L CA 1.762 56.584 54.840 -0.029 0.000 0.747 493 L CB -1.147 40.775 42.059 -0.229 0.000 0.896 493 L HN 0.334 nan 8.230 nan 0.000 0.432 494 Y N -1.051 119.244 120.300 -0.009 0.000 2.089 494 Y HA -0.284 4.266 4.550 0.000 0.000 0.282 494 Y C 2.166 177.972 175.900 -0.156 0.000 1.139 494 Y CA 2.166 60.245 58.100 -0.035 0.000 1.123 494 Y CB -0.811 37.546 38.460 -0.171 0.000 0.980 494 Y HN 0.227 nan 8.280 nan 0.000 0.493 495 W N -0.983 120.321 121.300 0.007 0.000 2.338 495 W HA -0.269 4.391 4.660 0.000 0.000 0.304 495 W C 2.232 178.736 176.519 -0.025 0.000 1.212 495 W CA 1.371 58.679 57.345 -0.062 0.000 1.264 495 W CB -0.787 28.657 29.460 -0.026 0.000 1.142 495 W HN 0.153 nan 8.180 nan 0.000 0.512 496 Y N -0.353 120.056 120.300 0.183 0.000 2.165 496 Y HA -0.218 4.332 4.550 0.000 0.000 0.286 496 Y C 2.347 178.197 175.900 -0.084 0.000 1.155 496 Y CA 0.701 58.838 58.100 0.063 0.000 1.164 496 Y CB -1.574 36.927 38.460 0.068 0.000 0.978 496 Y HN -0.205 nan 8.280 nan 0.000 0.513 497 V N -0.295 119.635 119.914 0.026 0.000 2.358 497 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 497 V C 2.433 178.408 176.094 -0.198 0.000 1.047 497 V CA 1.047 63.280 62.300 -0.111 0.000 1.035 497 V CB -0.647 31.141 31.823 -0.059 0.000 0.658 497 V HN 0.276 nan 8.190 nan 0.000 0.452 498 I N 0.146 120.542 120.570 -0.291 0.000 2.185 498 I HA -0.245 3.925 4.170 -0.000 0.000 0.246 498 I C 2.448 178.524 176.117 -0.067 0.000 1.088 498 I CA 1.765 62.910 61.300 -0.258 0.000 1.347 498 I CB -0.866 36.887 38.000 -0.412 0.000 1.041 498 I HN 0.179 nan 8.210 nan 0.000 0.415 499 V N 0.680 120.594 119.914 -0.001 0.000 2.307 499 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 499 V C 2.435 178.472 176.094 -0.095 0.000 1.045 499 V CA 1.527 63.828 62.300 0.001 0.000 1.024 499 V CB -0.611 31.241 31.823 0.049 0.000 0.651 499 V HN 0.355 nan 8.190 nan 0.000 0.449 500 E N -0.648 119.411 120.200 -0.235 0.000 2.204 500 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 500 E C 2.209 178.672 176.600 -0.229 0.000 0.990 500 E CA 1.382 57.529 56.400 -0.422 0.000 0.821 500 E CB -0.645 28.346 29.700 -1.182 0.000 0.750 500 E HN 0.620 nan 8.360 nan 0.000 0.477 501 C N 0.661 119.875 119.300 -0.144 0.000 2.450 501 C HA -0.013 4.447 4.460 -0.000 0.000 0.279 501 C C 2.113 177.192 174.990 0.148 0.000 1.335 501 C CA 0.232 59.244 59.018 -0.010 0.000 1.749 501 C CB -0.529 27.174 27.740 -0.062 0.000 1.963 501 C HN 0.430 nan 8.230 nan 0.000 0.501 502 E N 0.284 120.527 120.200 0.071 0.000 2.479 502 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 502 E C -0.115 176.507 176.600 0.037 0.000 1.049 502 E CA -0.090 56.356 56.400 0.077 0.000 0.870 502 E CB -0.040 29.697 29.700 0.062 0.000 0.944 502 E HN 0.457 nan 8.360 nan 0.000 0.492 503 D N 1.521 121.940 120.400 0.032 0.000 2.348 503 D HA -0.020 4.620 4.640 -0.000 0.000 0.259 503 D C 0.752 177.040 176.300 -0.019 0.000 1.296 503 D CA 0.358 54.358 54.000 0.001 0.000 0.931 503 D CB 0.689 41.485 40.800 -0.007 0.000 1.067 503 D HN 0.075 nan 8.370 nan 0.000 0.503 504 Q N 2.158 121.936 119.800 -0.037 0.000 2.291 504 Q HA -0.119 4.221 4.340 -0.000 0.000 0.205 504 Q C 1.141 177.108 176.000 -0.054 0.000 0.970 504 Q CA 0.600 56.364 55.803 -0.065 0.000 0.876 504 Q CB 0.369 29.082 28.738 -0.040 0.000 0.935 504 Q HN 0.594 nan 8.270 nan 0.000 0.455 505 D N 0.115 120.497 120.400 -0.030 0.000 2.097 505 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 505 D C 1.555 177.851 176.300 -0.008 0.000 0.989 505 D CA 1.451 55.441 54.000 -0.015 0.000 0.827 505 D CB 0.336 41.133 40.800 -0.006 0.000 0.966 505 D HN 0.184 nan 8.370 nan 0.000 0.456 506 T N 0.953 115.510 114.554 0.005 0.000 2.737 506 T HA -0.161 4.189 4.350 -0.000 0.000 0.265 506 T C 2.019 176.726 174.700 0.012 0.000 1.038 506 T CA 0.987 63.114 62.100 0.045 0.000 1.144 506 T CB -0.291 68.640 68.868 0.106 0.000 0.866 506 T HN 0.243 nan 8.240 nan 0.000 0.434 507 Q N 0.792 120.524 119.800 -0.112 0.000 2.047 507 Q HA -0.262 4.078 4.340 -0.000 0.000 0.211 507 Q C 2.576 178.510 176.000 -0.111 0.000 1.005 507 Q CA 1.953 57.588 55.803 -0.280 0.000 0.866 507 Q CB -0.212 28.275 28.738 -0.417 0.000 0.938 507 Q HN 0.594 nan 8.270 nan 0.000 0.414 508 Q N -0.334 119.425 119.800 -0.069 0.000 2.062 508 Q HA -0.048 4.292 4.340 -0.000 0.000 0.196 508 Q C 2.020 178.017 176.000 -0.005 0.000 0.967 508 Q CA 0.776 56.559 55.803 -0.033 0.000 0.832 508 Q CB 0.127 28.849 28.738 -0.027 0.000 0.899 508 Q HN 0.201 nan 8.270 nan 0.000 0.442 509 R N 0.070 120.573 120.500 0.006 0.000 2.276 509 R HA -0.023 4.317 4.340 -0.000 0.000 0.203 509 R C -0.008 176.314 176.300 0.038 0.000 1.017 509 R CA 0.696 56.809 56.100 0.021 0.000 1.010 509 R CB 0.505 30.819 30.300 0.023 0.000 0.900 509 R HN 0.022 nan 8.270 nan 0.000 0.469 510 D N -1.728 118.701 120.400 0.049 0.000 3.449 510 D HA 0.096 4.736 4.640 -0.000 0.000 0.262 510 D C -2.290 174.073 176.300 0.104 0.000 1.343 510 D CA -1.203 52.846 54.000 0.081 0.000 0.787 510 D CB 0.870 41.728 40.800 0.097 0.000 1.412 510 D HN -0.187 nan 8.370 nan 0.000 0.652 511 P HA -0.107 nan 4.420 nan 0.000 0.216 511 P C 1.367 178.742 177.300 0.124 0.000 1.150 511 P CA 1.036 64.198 63.100 0.104 0.000 0.837 511 P CB 0.520 32.264 31.700 0.073 0.000 0.786 512 K N -1.192 119.284 120.400 0.127 0.000 2.152 512 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 512 K C 1.988 178.597 176.600 0.015 0.000 1.048 512 K CA 1.645 58.018 56.287 0.144 0.000 0.933 512 K CB -0.576 32.078 32.500 0.258 0.000 0.721 512 K HN 0.135 nan 8.250 nan 0.000 0.447 513 T N -0.474 114.125 114.554 0.075 0.000 2.809 513 T HA -0.138 4.212 4.350 -0.000 0.000 0.260 513 T C 1.581 176.224 174.700 -0.094 0.000 1.039 513 T CA 0.842 62.879 62.100 -0.105 0.000 1.141 513 T CB -0.268 68.681 68.868 0.135 0.000 0.869 513 T HN 0.367 nan 8.240 nan 0.000 0.437 514 H N 1.432 120.504 119.070 0.003 0.000 2.319 514 H HA -0.113 4.443 4.556 0.000 0.000 0.297 514 H C 2.065 177.376 175.328 -0.028 0.000 1.097 514 H CA 1.937 58.013 56.048 0.046 0.000 1.285 514 H CB 0.066 29.852 29.762 0.040 0.000 1.368 514 H HN 0.466 nan 8.280 nan 0.000 0.495 515 E N 0.187 120.329 120.200 -0.096 0.000 2.058 515 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 515 E C 2.527 178.953 176.600 -0.290 0.000 0.997 515 E CA 1.146 57.445 56.400 -0.169 0.000 0.801 515 E CB -0.129 29.527 29.700 -0.074 0.000 0.746 515 E HN 0.378 nan 8.360 nan 0.000 0.450 516 M N 0.152 119.458 119.600 -0.490 0.000 2.073 516 M HA -0.234 4.246 4.480 -0.000 0.000 0.258 516 M C 1.742 177.753 176.300 -0.481 0.000 1.070 516 M CA 1.830 56.724 55.300 -0.676 0.000 1.103 516 M CB -0.511 31.241 32.600 -1.414 0.000 1.321 516 M HN 0.135 nan 8.290 nan 0.000 0.405 517 Y N 0.891 120.989 120.300 -0.338 0.000 2.128 517 Y HA -0.213 4.337 4.550 -0.000 0.000 0.284 517 Y C 2.502 178.264 175.900 -0.230 0.000 1.154 517 Y CA 1.869 59.821 58.100 -0.247 0.000 1.149 517 Y CB -1.069 37.266 38.460 -0.209 0.000 0.976 517 Y HN 0.246 nan 8.280 nan 0.000 0.505 518 L N -0.172 120.962 121.223 -0.149 0.000 2.051 518 L HA -0.343 3.997 4.340 -0.000 0.000 0.214 518 L C 2.220 179.034 176.870 -0.094 0.000 1.076 518 L CA 1.549 56.297 54.840 -0.152 0.000 0.758 518 L CB -0.590 41.338 42.059 -0.219 0.000 0.890 518 L HN 0.325 nan 8.230 nan 0.000 0.433 519 N N -0.396 118.230 118.700 -0.123 0.000 2.084 519 N HA -0.149 4.591 4.740 -0.000 0.000 0.190 519 N C 1.879 177.358 175.510 -0.053 0.000 1.030 519 N CA 1.413 54.410 53.050 -0.089 0.000 0.849 519 N CB -0.377 38.039 38.487 -0.118 0.000 1.012 519 N HN 0.132 nan 8.380 nan 0.000 0.423 520 V N 1.735 121.609 119.914 -0.067 0.000 2.282 520 V HA -0.268 3.852 4.120 -0.000 0.000 0.249 520 V C 2.470 178.595 176.094 0.052 0.000 1.057 520 V CA 1.660 63.951 62.300 -0.014 0.000 1.032 520 V CB -0.468 31.353 31.823 -0.003 0.000 0.645 520 V HN 0.235 nan 8.190 nan 0.000 0.447 521 M N 0.078 119.708 119.600 0.049 0.000 2.080 521 M HA -0.170 4.310 4.480 -0.000 0.000 0.260 521 M C 2.206 178.565 176.300 0.098 0.000 1.068 521 M CA 1.864 57.217 55.300 0.089 0.000 1.109 521 M CB -0.608 32.001 32.600 0.014 0.000 1.342 521 M HN 0.170 nan 8.290 nan 0.000 0.405 522 R N -1.036 119.489 120.500 0.042 0.000 2.075 522 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 522 R C 2.285 178.617 176.300 0.054 0.000 1.126 522 R CA 1.133 57.251 56.100 0.031 0.000 0.963 522 R CB -0.407 29.896 30.300 0.004 0.000 0.858 522 R HN 0.333 nan 8.270 nan 0.000 0.435 523 R N 0.153 120.692 120.500 0.065 0.000 2.091 523 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 523 R C 2.100 178.493 176.300 0.156 0.000 1.136 523 R CA 1.114 57.261 56.100 0.078 0.000 0.959 523 R CB -0.667 29.665 30.300 0.053 0.000 0.856 523 R HN 0.203 nan 8.270 nan 0.000 0.437 524 F N 1.507 121.452 119.950 -0.009 0.000 2.102 524 F HA -0.181 4.346 4.527 0.000 0.000 0.298 524 F C 2.586 178.381 175.800 -0.007 0.000 1.105 524 F CA 1.488 59.485 58.000 -0.005 0.000 1.239 524 F CB -0.886 38.118 39.000 0.007 0.000 0.991 524 F HN -0.049 nan 8.300 nan 0.000 0.474 525 S N -0.444 115.250 115.700 -0.009 0.000 2.356 525 S HA -0.269 4.201 4.470 -0.000 0.000 0.223 525 S C 2.184 176.744 174.600 -0.065 0.000 1.032 525 S CA 1.552 59.676 58.200 -0.127 0.000 1.005 525 S CB -0.605 62.548 63.200 -0.078 0.000 0.867 525 S HN 0.660 nan 8.310 nan 0.000 0.449 526 Q N 0.188 119.984 119.800 -0.006 0.000 2.096 526 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 526 Q C 2.151 178.155 176.000 0.006 0.000 0.982 526 Q CA 1.615 57.418 55.803 0.000 0.000 0.850 526 Q CB -0.494 28.253 28.738 0.014 0.000 0.901 526 Q HN 0.668 nan 8.270 nan 0.000 0.422 527 A N 0.304 123.146 122.820 0.038 0.000 1.930 527 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 527 A C 1.914 179.509 177.584 0.018 0.000 1.175 527 A CA 0.954 53.019 52.037 0.048 0.000 0.627 527 A CB -0.435 18.626 19.000 0.102 0.000 0.815 527 A HN 0.423 nan 8.150 nan 0.000 0.443 528 L N -0.623 120.586 121.223 -0.023 0.000 2.072 528 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 528 L C 2.250 179.075 176.870 -0.074 0.000 1.079 528 L CA 1.112 55.904 54.840 -0.080 0.000 0.752 528 L CB -0.709 41.209 42.059 -0.235 0.000 0.906 528 L HN 0.229 nan 8.230 nan 0.000 0.436 529 L N -0.134 121.045 121.223 -0.074 0.000 2.079 529 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 529 L C 2.394 179.242 176.870 -0.036 0.000 1.081 529 L CA 1.632 56.438 54.840 -0.057 0.000 0.752 529 L CB -1.097 40.933 42.059 -0.050 0.000 0.896 529 L HN 0.387 nan 8.230 nan 0.000 0.433 530 K N -0.642 119.744 120.400 -0.023 0.000 2.439 530 K HA -0.034 4.286 4.320 -0.000 0.000 0.197 530 K C 1.183 177.776 176.600 -0.012 0.000 1.041 530 K CA 0.454 56.734 56.287 -0.012 0.000 0.970 530 K CB 0.054 32.553 32.500 -0.002 0.000 0.773 530 K HN 0.351 nan 8.250 nan 0.000 0.479 531 G N 0.948 109.738 108.800 -0.017 0.000 2.489 531 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.271 531 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.271 531 G C -0.327 174.561 174.900 -0.020 0.000 1.427 531 G CA -0.206 44.885 45.100 -0.015 0.000 1.057 531 G HN 0.402 nan 8.290 nan 0.000 0.532 532 D N -1.755 118.633 120.400 -0.020 0.000 2.511 532 D HA 0.187 4.827 4.640 -0.000 0.000 0.276 532 D C 1.444 177.728 176.300 -0.027 0.000 1.220 532 D CA -0.570 53.417 54.000 -0.020 0.000 1.077 532 D CB 0.589 41.379 40.800 -0.016 0.000 1.126 532 D HN 0.238 nan 8.370 nan 0.000 0.583 533 K N -0.232 120.153 120.400 -0.026 0.000 2.009 533 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 533 K C 2.042 178.621 176.600 -0.036 0.000 1.049 533 K CA 2.440 58.709 56.287 -0.030 0.000 0.929 533 K CB -0.869 31.616 32.500 -0.025 0.000 0.714 533 K HN 0.461 nan 8.250 nan 0.000 0.440 534 S N -0.500 115.181 115.700 -0.032 0.000 2.368 534 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 534 S C 2.120 176.694 174.600 -0.043 0.000 1.030 534 S CA 1.341 59.520 58.200 -0.035 0.000 0.999 534 S CB -0.828 62.356 63.200 -0.028 0.000 0.844 534 S HN 0.070 nan 8.310 nan 0.000 0.459 535 V N 2.409 122.299 119.914 -0.040 0.000 2.332 535 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 535 V C 3.009 179.061 176.094 -0.070 0.000 1.055 535 V CA 2.128 64.400 62.300 -0.047 0.000 1.038 535 V CB -0.804 30.999 31.823 -0.034 0.000 0.651 535 V HN 0.481 nan 8.190 nan 0.000 0.450 536 R N -0.746 119.715 120.500 -0.064 0.000 2.096 536 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 536 R C 2.253 178.500 176.300 -0.088 0.000 1.127 536 R CA 1.293 57.346 56.100 -0.078 0.000 0.968 536 R CB -0.474 29.790 30.300 -0.061 0.000 0.861 536 R HN 0.396 nan 8.270 nan 0.000 0.440 537 V N 1.513 121.383 119.914 -0.074 0.000 2.295 537 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 537 V C 2.435 178.470 176.094 -0.098 0.000 1.049 537 V CA 1.860 64.114 62.300 -0.076 0.000 1.024 537 V CB -0.393 31.395 31.823 -0.059 0.000 0.648 537 V HN 0.385 nan 8.190 nan 0.000 0.447 538 M N -0.179 119.362 119.600 -0.098 0.000 2.089 538 M HA -0.305 4.175 4.480 -0.000 0.000 0.257 538 M C 2.397 178.592 176.300 -0.175 0.000 1.071 538 M CA 2.452 57.681 55.300 -0.118 0.000 1.096 538 M CB -0.335 32.209 32.600 -0.092 0.000 1.330 538 M HN 0.273 nan 8.290 nan 0.000 0.403 539 R N 0.140 120.526 120.500 -0.190 0.000 2.097 539 R HA -0.208 4.132 4.340 -0.000 0.000 0.236 539 R C 2.254 178.411 176.300 -0.238 0.000 1.135 539 R CA 2.794 58.740 56.100 -0.256 0.000 0.934 539 R CB -0.600 29.563 30.300 -0.228 0.000 0.846 539 R HN 0.629 nan 8.270 nan 0.000 0.431 540 S N 0.570 116.167 115.700 -0.171 0.000 2.382 540 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 540 S C 2.141 176.648 174.600 -0.154 0.000 1.027 540 S CA 1.283 59.396 58.200 -0.145 0.000 0.991 540 S CB -0.539 62.601 63.200 -0.100 0.000 0.823 540 S HN 0.423 nan 8.310 nan 0.000 0.469 541 L N 0.587 121.717 121.223 -0.155 0.000 2.265 541 L HA -0.025 4.315 4.340 -0.000 0.000 0.215 541 L C 2.446 179.184 176.870 -0.219 0.000 1.117 541 L CA 0.880 55.629 54.840 -0.153 0.000 0.782 541 L CB -0.614 41.365 42.059 -0.134 0.000 0.914 541 L HN 0.353 nan 8.230 nan 0.000 0.441 542 L N -0.689 120.335 121.223 -0.332 0.000 2.109 542 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 542 L C 2.866 179.430 176.870 -0.509 0.000 1.086 542 L CA 1.034 55.525 54.840 -0.583 0.000 0.760 542 L CB -0.701 40.838 42.059 -0.866 0.000 0.910 542 L HN 0.208 nan 8.230 nan 0.000 0.437 543 A N 0.157 122.784 122.820 -0.322 0.000 1.930 543 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 543 A C 2.552 180.085 177.584 -0.084 0.000 1.175 543 A CA 1.567 53.497 52.037 -0.179 0.000 0.627 543 A CB -0.646 18.280 19.000 -0.124 0.000 0.815 543 A HN 0.372 nan 8.150 nan 0.000 0.443 544 A N -0.657 122.118 122.820 -0.076 0.000 1.841 544 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 544 A C 2.111 179.740 177.584 0.074 0.000 1.199 544 A CA 1.877 53.913 52.037 -0.000 0.000 0.621 544 A CB -0.881 18.104 19.000 -0.026 0.000 0.835 544 A HN 0.605 nan 8.150 nan 0.000 0.445 545 Q N -1.499 118.318 119.800 0.028 0.000 2.082 545 Q HA -0.363 3.977 4.340 -0.000 0.000 0.211 545 Q C 2.390 178.601 176.000 0.353 0.000 1.002 545 Q CA 2.400 58.293 55.803 0.149 0.000 0.868 545 Q CB -0.230 28.583 28.738 0.126 0.000 0.931 545 Q HN 0.765 nan 8.270 nan 0.000 0.414 546 Q N -0.189 119.747 119.800 0.227 0.000 2.096 546 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 546 Q C 1.904 178.094 176.000 0.317 0.000 0.982 546 Q CA 2.262 58.261 55.803 0.328 0.000 0.850 546 Q CB -0.562 28.243 28.738 0.111 0.000 0.901 546 Q HN 0.267 nan 8.270 nan 0.000 0.422 547 T N 0.069 114.747 114.554 0.207 0.000 2.674 547 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 547 T C 1.268 176.076 174.700 0.181 0.000 1.039 547 T CA 1.314 63.508 62.100 0.157 0.000 1.150 547 T CB -0.620 68.308 68.868 0.100 0.000 0.864 547 T HN 0.399 nan 8.240 nan 0.000 0.427 548 F N 1.457 121.461 119.950 0.089 0.000 2.063 548 F HA -0.225 4.301 4.527 -0.000 0.000 0.298 548 F C 2.283 178.144 175.800 0.102 0.000 1.105 548 F CA 1.414 59.466 58.000 0.087 0.000 1.215 548 F CB -0.573 38.489 39.000 0.104 0.000 0.972 548 F HN -0.058 nan 8.300 nan 0.000 0.483 549 V N 0.193 120.369 119.914 0.438 0.000 2.358 549 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 549 V C 2.067 178.265 176.094 0.175 0.000 1.047 549 V CA 2.071 64.573 62.300 0.337 0.000 1.035 549 V CB -0.712 31.428 31.823 0.527 0.000 0.658 549 V HN 0.312 nan 8.190 nan 0.000 0.452 550 D N 0.065 120.588 120.400 0.205 0.000 2.133 550 D HA -0.190 4.450 4.640 -0.000 0.000 0.195 550 D C 2.387 178.714 176.300 0.045 0.000 0.997 550 D CA 1.404 55.486 54.000 0.136 0.000 0.840 550 D CB -0.228 40.648 40.800 0.125 0.000 0.947 550 D HN 0.409 nan 8.370 nan 0.000 0.452 551 R N -0.102 120.379 120.500 -0.031 0.000 2.066 551 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 551 R C 2.377 178.600 176.300 -0.127 0.000 1.131 551 R CA 0.348 56.385 56.100 -0.104 0.000 0.955 551 R CB -0.514 29.665 30.300 -0.202 0.000 0.851 551 R HN 0.119 nan 8.270 nan 0.000 0.432 552 L N 0.943 122.025 121.223 -0.235 0.000 2.129 552 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 552 L C 2.046 178.819 176.870 -0.162 0.000 1.087 552 L CA 1.484 56.155 54.840 -0.281 0.000 0.757 552 L CB -0.196 41.602 42.059 -0.435 0.000 0.896 552 L HN -0.065 nan 8.230 nan 0.000 0.434 553 V N -1.059 118.810 119.914 -0.074 0.000 2.323 553 V HA -0.304 3.816 4.120 -0.000 0.000 0.244 553 V C 2.548 178.598 176.094 -0.074 0.000 1.041 553 V CA 1.894 64.177 62.300 -0.028 0.000 1.025 553 V CB -0.855 30.956 31.823 -0.020 0.000 0.656 553 V HN 0.619 nan 8.190 nan 0.000 0.451 554 H N -0.282 118.731 119.070 -0.095 0.000 2.387 554 H HA -0.193 4.363 4.556 0.000 0.000 0.299 554 H C 2.229 177.489 175.328 -0.112 0.000 1.099 554 H CA 2.226 58.221 56.048 -0.088 0.000 1.315 554 H CB 0.121 29.844 29.762 -0.064 0.000 1.380 554 H HN 0.358 nan 8.280 nan 0.000 0.513 555 L N 0.384 121.575 121.223 -0.054 0.000 2.056 555 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 555 L C 2.326 179.109 176.870 -0.144 0.000 1.078 555 L CA 1.410 56.191 54.840 -0.099 0.000 0.749 555 L CB -0.643 41.357 42.059 -0.098 0.000 0.901 555 L HN 0.153 nan 8.230 nan 0.000 0.433 556 M N -0.142 119.364 119.600 -0.156 0.000 2.086 556 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 556 M C 2.162 178.281 176.300 -0.302 0.000 1.067 556 M CA 1.715 56.903 55.300 -0.187 0.000 1.116 556 M CB -0.997 31.512 32.600 -0.152 0.000 1.348 556 M HN 0.328 nan 8.290 nan 0.000 0.407 557 K N 0.257 120.409 120.400 -0.414 0.000 2.097 557 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 557 K C 2.123 178.590 176.600 -0.221 0.000 1.049 557 K CA 1.434 57.529 56.287 -0.320 0.000 0.933 557 K CB -0.449 31.895 32.500 -0.259 0.000 0.717 557 K HN 0.278 nan 8.250 nan 0.000 0.442 558 A N 1.606 124.272 122.820 -0.257 0.000 1.865 558 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 558 A C 2.490 180.003 177.584 -0.119 0.000 1.191 558 A CA 1.738 53.658 52.037 -0.195 0.000 0.623 558 A CB -0.816 18.063 19.000 -0.201 0.000 0.826 558 A HN 0.090 nan 8.150 nan 0.000 0.444 559 V N 0.259 120.109 119.914 -0.107 0.000 2.427 559 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 559 V C 2.634 178.699 176.094 -0.050 0.000 1.051 559 V CA 2.050 64.311 62.300 -0.066 0.000 1.048 559 V CB -0.841 30.952 31.823 -0.051 0.000 0.666 559 V HN 0.643 nan 8.190 nan 0.000 0.456 560 Q N 0.013 119.777 119.800 -0.061 0.000 2.123 560 Q HA -0.109 4.231 4.340 -0.000 0.000 0.199 560 Q C 2.263 178.250 176.000 -0.021 0.000 0.966 560 Q CA 1.095 56.881 55.803 -0.027 0.000 0.845 560 Q CB -0.199 28.529 28.738 -0.016 0.000 0.907 560 Q HN 0.590 nan 8.270 nan 0.000 0.439 561 R N 1.185 121.662 120.500 -0.038 0.000 2.275 561 R HA 0.008 4.348 4.340 -0.000 0.000 0.199 561 R C 0.455 176.739 176.300 -0.026 0.000 0.989 561 R CA -0.022 56.061 56.100 -0.028 0.000 1.016 561 R CB -0.002 30.276 30.300 -0.038 0.000 0.918 561 R HN 0.138 nan 8.270 nan 0.000 0.473 562 E N 1.913 122.094 120.200 -0.031 0.000 2.558 562 E HA -0.036 4.314 4.350 -0.000 0.000 0.255 562 E C -0.707 175.884 176.600 -0.015 0.000 0.968 562 E CA 0.208 56.593 56.400 -0.025 0.000 0.939 562 E CB 0.554 30.238 29.700 -0.028 0.000 0.921 562 E HN -0.034 nan 8.360 nan 0.000 0.477 563 S N 2.899 118.591 115.700 -0.013 0.000 2.593 563 S HA 0.616 5.086 4.470 -0.000 0.000 0.269 563 S C 0.441 175.036 174.600 -0.008 0.000 1.334 563 S CA -0.060 58.135 58.200 -0.009 0.000 1.015 563 S CB 0.866 64.061 63.200 -0.008 0.000 0.912 563 S HN 1.044 nan 8.310 nan 0.000 0.541 564 G N 2.092 110.889 108.800 -0.005 0.000 2.627 564 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.214 564 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.214 564 G C -0.650 174.248 174.900 -0.003 0.000 1.331 564 G CA -0.234 44.863 45.100 -0.005 0.000 0.891 564 G HN 0.937 nan 8.290 nan 0.000 0.539 565 N N -0.483 118.215 118.700 -0.004 0.000 2.604 565 N HA 0.395 5.135 4.740 -0.000 0.000 0.297 565 N C 1.284 176.793 175.510 -0.002 0.000 1.266 565 N CA -0.408 52.642 53.050 -0.001 0.000 0.961 565 N CB 0.759 39.245 38.487 -0.001 0.000 1.166 565 N HN 0.705 nan 8.380 nan 0.000 0.601 566 R N -0.684 119.816 120.500 0.001 0.000 2.193 566 R HA -0.069 4.271 4.340 -0.000 0.000 0.229 566 R C 1.401 177.697 176.300 -0.007 0.000 1.110 566 R CA 1.085 57.185 56.100 -0.000 0.000 0.988 566 R CB -0.121 30.182 30.300 0.005 0.000 0.871 566 R HN 0.524 nan 8.270 nan 0.000 0.458 567 K N 0.984 121.379 120.400 -0.008 0.000 2.057 567 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 567 K C 1.900 178.492 176.600 -0.013 0.000 1.050 567 K CA 1.321 57.602 56.287 -0.012 0.000 0.935 567 K CB 0.098 32.592 32.500 -0.010 0.000 0.715 567 K HN -0.130 nan 8.250 nan 0.000 0.439 568 K N 0.780 121.173 120.400 -0.011 0.000 1.985 568 K HA -0.111 4.209 4.320 -0.000 0.000 0.210 568 K C 2.016 178.607 176.600 -0.015 0.000 1.047 568 K CA 1.577 57.856 56.287 -0.013 0.000 0.932 568 K CB -0.228 32.265 32.500 -0.011 0.000 0.716 568 K HN 0.147 nan 8.250 nan 0.000 0.439 569 K N 0.707 121.099 120.400 -0.013 0.000 2.074 569 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 569 K C 1.907 178.497 176.600 -0.018 0.000 1.048 569 K CA 1.408 57.686 56.287 -0.015 0.000 0.926 569 K CB -0.142 32.353 32.500 -0.008 0.000 0.713 569 K HN 0.083 nan 8.250 nan 0.000 0.444 570 N N 1.166 119.856 118.700 -0.017 0.000 2.142 570 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 570 N C 1.503 176.999 175.510 -0.024 0.000 1.023 570 N CA 1.181 54.218 53.050 -0.022 0.000 0.852 570 N CB -0.136 38.335 38.487 -0.026 0.000 0.998 570 N HN 0.270 nan 8.380 nan 0.000 0.424 571 E N 0.152 120.339 120.200 -0.022 0.000 2.118 571 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 571 E C 2.016 178.602 176.600 -0.024 0.000 0.992 571 E CA 0.954 57.341 56.400 -0.022 0.000 0.804 571 E CB 0.039 29.728 29.700 -0.019 0.000 0.741 571 E HN 0.263 nan 8.360 nan 0.000 0.458 572 R N 0.298 120.783 120.500 -0.025 0.000 2.080 572 R HA -0.063 4.277 4.340 -0.000 0.000 0.222 572 R C 2.302 178.582 176.300 -0.033 0.000 1.107 572 R CA 0.418 56.501 56.100 -0.028 0.000 0.980 572 R CB -0.183 30.099 30.300 -0.030 0.000 0.879 572 R HN 0.120 nan 8.270 nan 0.000 0.439 573 L N 1.405 122.608 121.223 -0.033 0.000 2.043 573 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 573 L C 1.779 178.627 176.870 -0.038 0.000 1.075 573 L CA 1.914 56.733 54.840 -0.036 0.000 0.752 573 L CB -0.451 41.592 42.059 -0.027 0.000 0.891 573 L HN 0.316 nan 8.230 nan 0.000 0.432 574 Q N -0.762 119.019 119.800 -0.033 0.000 2.096 574 Q HA -0.030 4.310 4.340 -0.000 0.000 0.197 574 Q C 2.273 178.253 176.000 -0.033 0.000 0.964 574 Q CA 1.125 56.908 55.803 -0.033 0.000 0.838 574 Q CB -0.389 28.331 28.738 -0.030 0.000 0.906 574 Q HN 0.658 nan 8.270 nan 0.000 0.444 575 A N 2.091 124.893 122.820 -0.030 0.000 1.859 575 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 575 A C 2.184 179.749 177.584 -0.031 0.000 1.209 575 A CA 1.531 53.551 52.037 -0.028 0.000 0.639 575 A CB -1.098 17.887 19.000 -0.025 0.000 0.835 575 A HN 0.302 nan 8.150 nan 0.000 0.450 576 L N -0.881 120.321 121.223 -0.034 0.000 2.081 576 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 576 L C 2.611 179.451 176.870 -0.050 0.000 1.080 576 L CA 1.256 56.073 54.840 -0.039 0.000 0.754 576 L CB -0.530 41.504 42.059 -0.042 0.000 0.893 576 L HN 0.407 nan 8.230 nan 0.000 0.433 577 L N -0.886 120.304 121.223 -0.055 0.000 2.109 577 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 577 L C 2.651 179.491 176.870 -0.050 0.000 1.086 577 L CA 1.094 55.895 54.840 -0.065 0.000 0.760 577 L CB -0.925 41.095 42.059 -0.066 0.000 0.910 577 L HN 0.290 nan 8.230 nan 0.000 0.437 578 G N -1.064 107.713 108.800 -0.039 0.000 2.450 578 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 578 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 578 G C 0.678 175.562 174.900 -0.028 0.000 1.130 578 G CA 0.332 45.414 45.100 -0.030 0.000 0.760 578 G HN 0.250 nan 8.290 nan 0.000 0.557 579 D N 0.321 120.703 120.400 -0.031 0.000 2.508 579 D HA 0.092 4.732 4.640 -0.000 0.000 0.224 579 D C 1.167 177.448 176.300 -0.031 0.000 1.171 579 D CA -0.377 53.607 54.000 -0.027 0.000 1.006 579 D CB -0.189 40.596 40.800 -0.025 0.000 1.073 579 D HN 0.022 nan 8.370 nan 0.000 0.513 580 N N 1.815 120.499 118.700 -0.026 0.000 2.453 580 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 580 N C 1.231 176.726 175.510 -0.023 0.000 1.041 580 N CA 0.723 53.758 53.050 -0.024 0.000 0.900 580 N CB 0.370 38.850 38.487 -0.011 0.000 0.961 580 N HN 0.330 nan 8.380 nan 0.000 0.443 581 E N -0.045 120.142 120.200 -0.021 0.000 2.112 581 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 581 E C 1.524 178.108 176.600 -0.026 0.000 0.979 581 E CA 0.665 57.053 56.400 -0.020 0.000 0.814 581 E CB 0.027 29.717 29.700 -0.016 0.000 0.762 581 E HN 0.433 nan 8.360 nan 0.000 0.460 582 K N -0.379 120.003 120.400 -0.029 0.000 2.128 582 K HA 0.044 4.364 4.320 -0.000 0.000 0.202 582 K C 1.752 178.323 176.600 -0.049 0.000 1.050 582 K CA 0.553 56.820 56.287 -0.033 0.000 0.966 582 K CB 0.275 32.761 32.500 -0.023 0.000 0.759 582 K HN -0.038 nan 8.250 nan 0.000 0.454 583 M N 0.045 119.611 119.600 -0.057 0.000 2.571 583 M HA 0.076 4.556 4.480 -0.000 0.000 0.259 583 M C 0.076 176.304 176.300 -0.121 0.000 1.205 583 M CA 0.528 55.776 55.300 -0.088 0.000 1.138 583 M CB -0.645 31.901 32.600 -0.090 0.000 1.329 583 M HN 0.107 nan 8.290 nan 0.000 0.503 584 N N 0.573 119.223 118.700 -0.083 0.000 2.721 584 N HA -0.196 4.544 4.740 -0.000 0.000 0.249 584 N C 0.221 175.666 175.510 -0.109 0.000 1.072 584 N CA 0.245 53.257 53.050 -0.063 0.000 0.710 584 N CB -1.063 37.400 38.487 -0.040 0.000 0.993 584 N HN 0.291 nan 8.380 nan 0.000 0.547 585 L N -1.912 119.218 121.223 -0.155 0.000 2.693 585 L HA 0.209 4.549 4.340 -0.000 0.000 0.235 585 L C 1.364 178.245 176.870 0.018 0.000 1.127 585 L CA 0.173 54.881 54.840 -0.219 0.000 0.914 585 L CB 0.464 42.298 42.059 -0.374 0.000 1.193 585 L HN 0.149 nan 8.230 nan 0.000 0.502 586 S N -1.482 114.227 115.700 0.016 0.000 2.475 586 S HA 0.093 4.563 4.470 -0.000 0.000 0.224 586 S C -0.040 174.592 174.600 0.053 0.000 1.042 586 S CA 0.109 58.322 58.200 0.022 0.000 0.935 586 S CB 0.368 63.566 63.200 -0.004 0.000 0.801 586 S HN 0.230 nan 8.310 nan 0.000 0.509 587 D N 0.636 121.076 120.400 0.067 0.000 2.616 587 D HA 0.480 5.120 4.640 -0.000 0.000 0.238 587 D C -1.082 175.268 176.300 0.083 0.000 1.354 587 D CA -0.220 53.820 54.000 0.066 0.000 0.970 587 D CB 1.911 42.732 40.800 0.035 0.000 1.369 587 D HN 0.108 nan 8.370 nan 0.000 0.585 588 V N 0.038 120.011 119.914 0.099 0.000 3.130 588 V HA 0.709 4.829 4.120 -0.000 0.000 0.310 588 V C -0.355 175.770 176.094 0.052 0.000 1.158 588 V CA -0.977 61.383 62.300 0.101 0.000 1.029 588 V CB 2.044 33.983 31.823 0.192 0.000 1.057 588 V HN 0.228 nan 8.190 nan 0.000 0.436 589 E N 1.614 121.836 120.200 0.036 0.000 2.392 589 E HA 0.302 4.652 4.350 -0.000 0.000 0.264 589 E C -0.283 176.311 176.600 -0.009 0.000 1.024 589 E CA -0.536 55.869 56.400 0.010 0.000 0.903 589 E CB 0.710 30.411 29.700 0.002 0.000 0.963 589 E HN 0.604 nan 8.360 nan 0.000 0.432 590 L N 3.119 124.331 121.223 -0.020 0.000 2.693 590 L HA -0.113 4.227 4.340 -0.000 0.000 0.292 590 L C 0.375 177.204 176.870 -0.068 0.000 1.243 590 L CA 1.157 55.972 54.840 -0.042 0.000 0.903 590 L CB -0.786 41.250 42.059 -0.037 0.000 1.160 590 L HN 0.429 nan 8.230 nan 0.000 0.496 591 I N 1.465 121.969 120.570 -0.110 0.000 2.994 591 I HA 0.615 4.785 4.170 -0.000 0.000 0.306 591 I C -2.737 173.270 176.117 -0.184 0.000 1.195 591 I CA -2.538 58.678 61.300 -0.140 0.000 1.001 591 I CB 2.187 40.096 38.000 -0.152 0.000 1.244 591 I HN 0.298 nan 8.210 nan 0.000 0.437 592 P HA 0.170 nan 4.420 nan 0.000 0.271 592 P C -0.779 176.326 177.300 -0.325 0.000 1.216 592 P CA -0.244 62.723 63.100 -0.221 0.000 0.776 592 P CB 0.579 32.173 31.700 -0.177 0.000 0.881 593 L N 6.921 127.882 121.223 -0.436 0.000 2.369 593 L HA 0.264 4.604 4.340 -0.000 0.000 0.279 593 L C -1.753 174.737 176.870 -0.632 0.000 1.108 593 L CA -1.944 52.492 54.840 -0.672 0.000 0.852 593 L CB 0.156 41.696 42.059 -0.865 0.000 1.169 593 L HN 0.289 nan 8.230 nan 0.000 0.452 594 P HA -0.242 nan 4.420 nan 0.000 0.216 594 P C 1.570 178.466 177.300 -0.673 0.000 1.154 594 P CA 1.189 63.913 63.100 -0.627 0.000 0.865 594 P CB 0.072 31.227 31.700 -0.908 0.000 0.789 595 L N -0.552 120.218 121.223 -0.756 0.000 2.127 595 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 595 L C 0.878 177.604 176.870 -0.239 0.000 1.089 595 L CA 1.868 56.456 54.840 -0.420 0.000 0.757 595 L CB -0.679 41.153 42.059 -0.378 0.000 0.899 595 L HN -0.043 nan 8.230 nan 0.000 0.434 596 E N -1.176 118.817 120.200 -0.346 0.000 3.011 596 E HA 0.158 4.508 4.350 -0.000 0.000 0.315 596 E C -2.112 174.352 176.600 -0.227 0.000 1.176 596 E CA -1.045 55.250 56.400 -0.174 0.000 0.819 596 E CB 0.884 30.532 29.700 -0.088 0.000 1.508 596 E HN 0.073 nan 8.360 nan 0.000 0.381 597 P HA -0.196 nan 4.420 nan 0.000 0.222 597 P C 0.851 178.070 177.300 -0.137 0.000 1.147 597 P CA 0.930 63.904 63.100 -0.211 0.000 0.790 597 P CB 0.433 32.018 31.700 -0.191 0.000 0.780 598 Q N -0.129 119.626 119.800 -0.075 0.000 2.197 598 Q HA -0.079 4.261 4.340 -0.000 0.000 0.207 598 Q C 0.831 176.794 176.000 -0.061 0.000 0.984 598 Q CA 0.795 56.571 55.803 -0.044 0.000 0.869 598 Q CB -1.104 27.631 28.738 -0.004 0.000 0.906 598 Q HN 0.162 nan 8.270 nan 0.000 0.426 599 V N 2.290 122.145 119.914 -0.099 0.000 2.432 599 V HA 0.104 4.224 4.120 -0.000 0.000 0.271 599 V C 0.166 176.157 176.094 -0.172 0.000 1.046 599 V CA -0.434 61.799 62.300 -0.111 0.000 0.945 599 V CB 0.880 32.616 31.823 -0.145 0.000 0.992 599 V HN 0.129 nan 8.190 nan 0.000 0.471 600 K N 5.312 125.644 120.400 -0.112 0.000 2.110 600 K HA 0.743 5.063 4.320 -0.000 0.000 0.263 600 K C -0.616 175.925 176.600 -0.099 0.000 0.975 600 K CA -0.535 55.680 56.287 -0.120 0.000 0.895 600 K CB 2.459 34.912 32.500 -0.078 0.000 1.060 600 K HN 0.673 nan 8.250 nan 0.000 0.448 601 I N -2.436 118.066 120.570 -0.114 0.000 2.894 601 I HA 0.438 4.608 4.170 -0.000 0.000 0.302 601 I C 0.250 176.349 176.117 -0.030 0.000 1.188 601 I CA -0.615 60.658 61.300 -0.044 0.000 1.014 601 I CB 2.378 40.361 38.000 -0.029 0.000 1.242 601 I HN 0.479 nan 8.210 nan 0.000 0.430 602 R N 2.492 123.015 120.500 0.039 0.000 2.316 602 R HA 0.656 4.996 4.340 -0.000 0.000 0.201 602 R C 0.468 176.819 176.300 0.085 0.000 0.888 602 R CA 0.191 56.315 56.100 0.041 0.000 1.041 602 R CB 1.203 31.528 30.300 0.042 0.000 1.115 602 R HN 1.004 nan 8.270 nan 0.000 0.559 603 G N 0.355 109.220 108.800 0.108 0.000 2.325 603 G HA2 0.271 4.231 3.960 -0.000 0.000 0.295 603 G HA3 0.271 4.231 3.960 -0.000 0.000 0.295 603 G C -1.606 173.283 174.900 -0.019 0.000 1.274 603 G CA -0.925 44.258 45.100 0.139 0.000 0.857 603 G HN -0.049 nan 8.290 nan 0.000 0.499 604 I N 0.570 121.085 120.570 -0.092 0.000 2.460 604 I HA 0.419 4.589 4.170 -0.000 0.000 0.298 604 I C 0.010 176.078 176.117 -0.083 0.000 0.989 604 I CA -0.808 60.337 61.300 -0.258 0.000 1.173 604 I CB 1.946 39.748 38.000 -0.331 0.000 1.338 604 I HN 0.253 nan 8.210 nan 0.000 0.456 605 I N 7.483 128.035 120.570 -0.030 0.000 2.436 605 I HA 0.085 4.255 4.170 -0.000 0.000 0.289 605 I C -1.457 174.651 176.117 -0.014 0.000 1.083 605 I CA -1.229 60.070 61.300 -0.002 0.000 1.372 605 I CB 0.675 38.686 38.000 0.018 0.000 1.408 605 I HN 0.419 nan 8.210 nan 0.000 0.516 606 P HA -0.194 nan 4.420 nan 0.000 0.215 606 P C 1.254 178.537 177.300 -0.029 0.000 1.157 606 P CA 1.042 64.123 63.100 -0.031 0.000 0.863 606 P CB 0.014 31.694 31.700 -0.032 0.000 0.787 607 E N 0.073 120.251 120.200 -0.036 0.000 2.333 607 E HA -0.129 4.221 4.350 -0.000 0.000 0.198 607 E C 1.044 177.609 176.600 -0.058 0.000 1.007 607 E CA 1.822 58.195 56.400 -0.045 0.000 0.845 607 E CB -1.302 28.368 29.700 -0.050 0.000 0.766 607 E HN 0.334 nan 8.360 nan 0.000 0.507 608 T N -2.197 112.322 114.554 -0.058 0.000 3.040 608 T HA 0.506 4.856 4.350 -0.000 0.000 0.250 608 T C 0.919 175.651 174.700 0.052 0.000 1.058 608 T CA 0.073 62.125 62.100 -0.080 0.000 0.988 608 T CB 0.273 68.964 68.868 -0.296 0.000 0.993 608 T HN 0.313 nan 8.240 nan 0.000 0.519 609 A N 1.363 124.216 122.820 0.054 0.000 2.407 609 A HA 0.600 4.920 4.320 -0.000 0.000 0.248 609 A C 0.161 177.740 177.584 -0.008 0.000 1.082 609 A CA -0.116 51.949 52.037 0.047 0.000 0.785 609 A CB 0.084 19.091 19.000 0.012 0.000 1.020 609 A HN 0.404 nan 8.150 nan 0.000 0.489 610 T N 1.667 116.196 114.554 -0.042 0.000 3.047 610 T HA 0.359 4.709 4.350 -0.000 0.000 0.340 610 T C -0.690 173.940 174.700 -0.116 0.000 1.421 610 T CA -0.582 61.466 62.100 -0.088 0.000 1.090 610 T CB 0.717 69.499 68.868 -0.142 0.000 1.292 610 T HN 0.540 nan 8.240 nan 0.000 0.480 611 L N 2.617 123.802 121.223 -0.064 0.000 2.349 611 L HA 0.475 4.815 4.340 -0.000 0.000 0.275 611 L C 0.062 176.902 176.870 -0.051 0.000 1.115 611 L CA -0.605 54.232 54.840 -0.005 0.000 0.820 611 L CB 0.243 42.327 42.059 0.041 0.000 1.135 611 L HN 0.599 nan 8.230 nan 0.000 0.445 612 F N 2.067 122.041 119.950 0.040 0.000 2.539 612 F HA 0.021 4.548 4.527 -0.000 0.000 0.340 612 F C 1.641 177.460 175.800 0.032 0.000 1.185 612 F CA 0.086 58.112 58.000 0.044 0.000 1.333 612 F CB 0.365 39.398 39.000 0.055 0.000 1.152 612 F HN 0.427 nan 8.300 nan 0.000 0.602 613 K N 0.221 120.756 120.400 0.224 0.000 2.362 613 K HA -0.067 4.253 4.320 -0.000 0.000 0.200 613 K C 0.904 177.570 176.600 0.109 0.000 1.046 613 K CA 0.412 56.775 56.287 0.126 0.000 0.952 613 K CB -0.134 32.423 32.500 0.095 0.000 0.753 613 K HN 0.525 nan 8.250 nan 0.000 0.466 614 S N 0.473 116.253 115.700 0.134 0.000 2.558 614 S HA 0.017 4.487 4.470 -0.000 0.000 0.291 614 S C 1.324 175.962 174.600 0.063 0.000 1.306 614 S CA 0.065 58.310 58.200 0.075 0.000 1.056 614 S CB 0.982 64.211 63.200 0.049 0.000 0.836 614 S HN 0.330 nan 8.310 nan 0.000 0.504 615 A N 4.852 127.696 122.820 0.040 0.000 1.972 615 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 615 A C 2.012 179.619 177.584 0.038 0.000 1.169 615 A CA 1.341 53.398 52.037 0.034 0.000 0.635 615 A CB -0.623 18.392 19.000 0.024 0.000 0.810 615 A HN 0.871 nan 8.150 nan 0.000 0.446 616 L N -1.924 119.321 121.223 0.036 0.000 2.465 616 L HA 0.066 4.406 4.340 -0.000 0.000 0.224 616 L C 0.468 177.371 176.870 0.055 0.000 1.145 616 L CA 0.273 55.135 54.840 0.036 0.000 0.834 616 L CB -0.403 41.666 42.059 0.017 0.000 0.944 616 L HN 0.434 nan 8.230 nan 0.000 0.451 617 M N -0.734 118.911 119.600 0.075 0.000 2.450 617 M HA -0.116 4.364 4.480 -0.000 0.000 0.192 617 M C -2.351 174.023 176.300 0.125 0.000 0.753 617 M CA -0.325 55.036 55.300 0.102 0.000 0.532 617 M CB -1.536 31.108 32.600 0.074 0.000 1.263 617 M HN -0.027 nan 8.290 nan 0.000 0.885 618 P HA 0.563 nan 4.420 nan 0.000 0.281 618 P C -0.627 176.886 177.300 0.355 0.000 1.249 618 P CA -0.292 62.915 63.100 0.178 0.000 0.810 618 P CB 1.100 32.841 31.700 0.069 0.000 1.008 619 A N 1.910 124.911 122.820 0.302 0.000 2.312 619 A HA 0.395 4.715 4.320 -0.000 0.000 0.326 619 A C -0.071 177.697 177.584 0.308 0.000 1.172 619 A CA -0.642 51.545 52.037 0.249 0.000 0.821 619 A CB 0.402 19.506 19.000 0.173 0.000 1.166 619 A HN 0.589 nan 8.150 nan 0.000 0.493 620 Q N 1.456 121.312 119.800 0.094 0.000 2.274 620 Q HA 0.616 4.956 4.340 -0.000 0.000 0.256 620 Q C -1.730 174.231 176.000 -0.065 0.000 0.927 620 Q CA -0.200 55.583 55.803 -0.033 0.000 0.939 620 Q CB 0.537 29.044 28.738 -0.385 0.000 1.201 620 Q HN 0.679 nan 8.270 nan 0.000 0.426 621 L N 4.308 125.483 121.223 -0.080 0.000 2.409 621 L HA 0.473 4.813 4.340 -0.000 0.000 0.272 621 L C -1.164 175.636 176.870 -0.117 0.000 0.980 621 L CA -0.693 54.129 54.840 -0.030 0.000 0.826 621 L CB 1.427 43.508 42.059 0.036 0.000 1.268 621 L HN 0.610 nan 8.230 nan 0.000 0.407 622 F N 2.587 122.541 119.950 0.008 0.000 2.411 622 F HA 0.415 4.942 4.527 -0.000 0.000 0.355 622 F C 0.093 175.920 175.800 0.044 0.000 1.117 622 F CA -0.123 57.928 58.000 0.085 0.000 1.139 622 F CB 0.615 39.630 39.000 0.024 0.000 1.120 622 F HN 0.165 nan 8.300 nan 0.000 0.493 623 F N 2.529 122.616 119.950 0.228 0.000 2.384 623 F HA 0.359 4.886 4.527 -0.000 0.000 0.338 623 F C 0.379 176.274 175.800 0.157 0.000 1.103 623 F CA -0.812 57.283 58.000 0.159 0.000 1.157 623 F CB 0.985 40.032 39.000 0.078 0.000 1.167 623 F HN 0.265 nan 8.300 nan 0.000 0.529 624 K N 2.004 122.548 120.400 0.240 0.000 2.316 624 K HA 0.280 4.599 4.320 -0.000 0.000 0.289 624 K C 0.089 176.788 176.600 0.163 0.000 1.070 624 K CA -0.507 55.881 56.287 0.169 0.000 0.928 624 K CB 0.454 33.014 32.500 0.101 0.000 1.039 624 K HN 0.666 nan 8.250 nan 0.000 0.480 625 T N -1.320 113.325 114.554 0.152 0.000 2.899 625 T HA 0.064 4.414 4.350 -0.000 0.000 0.284 625 T C 1.257 175.997 174.700 0.066 0.000 1.004 625 T CA -0.811 61.353 62.100 0.106 0.000 1.043 625 T CB 1.575 70.520 68.868 0.129 0.000 1.013 625 T HN 0.725 nan 8.240 nan 0.000 0.518 626 E N 0.962 121.183 120.200 0.036 0.000 2.114 626 E HA -0.280 4.070 4.350 -0.000 0.000 0.199 626 E C 1.175 177.792 176.600 0.028 0.000 1.008 626 E CA 2.147 58.559 56.400 0.021 0.000 0.810 626 E CB -0.326 29.375 29.700 0.003 0.000 0.739 626 E HN 0.938 nan 8.360 nan 0.000 0.456 627 D N -1.833 118.588 120.400 0.036 0.000 2.352 627 D HA 0.090 4.730 4.640 -0.000 0.000 0.232 627 D C 1.166 177.491 176.300 0.042 0.000 1.055 627 D CA 0.688 54.709 54.000 0.035 0.000 0.891 627 D CB 0.377 41.200 40.800 0.037 0.000 0.897 627 D HN 0.363 nan 8.370 nan 0.000 0.529 628 G N -1.019 107.810 108.800 0.049 0.000 2.175 628 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 628 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 628 G C 0.764 175.703 174.900 0.065 0.000 0.982 628 G CA -0.093 45.037 45.100 0.050 0.000 0.641 628 G HN 0.770 nan 8.290 nan 0.000 0.527 629 G N -0.005 108.844 108.800 0.082 0.000 2.479 629 G HA2 0.539 4.499 3.960 -0.000 0.000 0.275 629 G HA3 0.539 4.499 3.960 -0.000 0.000 0.275 629 G C 0.181 175.167 174.900 0.144 0.000 1.421 629 G CA 0.453 45.615 45.100 0.104 0.000 1.059 629 G HN 1.306 nan 8.290 nan 0.000 0.535 630 K N -1.528 118.985 120.400 0.187 0.000 2.588 630 K HA 0.317 4.637 4.320 -0.000 0.000 0.250 630 K C -2.298 174.508 176.600 0.343 0.000 0.972 630 K CA -0.871 55.582 56.287 0.277 0.000 0.821 630 K CB 1.693 34.349 32.500 0.260 0.000 1.249 630 K HN 0.407 nan 8.250 nan 0.000 0.442 631 Y N 4.923 125.372 120.300 0.248 0.000 2.385 631 Y HA 0.346 4.896 4.550 0.000 0.000 0.341 631 Y C -2.496 173.504 175.900 0.167 0.000 0.965 631 Y CA -2.127 56.085 58.100 0.185 0.000 1.180 631 Y CB 1.386 39.910 38.460 0.107 0.000 1.139 631 Y HN 0.525 nan 8.280 nan 0.000 0.502 632 P HA 0.306 nan 4.420 nan 0.000 0.278 632 P C -1.223 176.182 177.300 0.174 0.000 1.238 632 P CA -0.079 62.893 63.100 -0.214 0.000 0.794 632 P CB 2.229 33.603 31.700 -0.544 0.000 0.955 633 V N 3.292 123.306 119.914 0.168 0.000 3.049 633 V HA 0.401 4.521 4.120 -0.000 0.000 0.309 633 V C 0.078 176.372 176.094 0.332 0.000 1.148 633 V CA -0.753 61.786 62.300 0.399 0.000 0.990 633 V CB 2.440 34.612 31.823 0.582 0.000 1.039 633 V HN 0.376 nan 8.190 nan 0.000 0.430 634 I N 3.262 124.065 120.570 0.389 0.000 2.321 634 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 634 I C -1.170 175.134 176.117 0.311 0.000 0.998 634 I CA -0.263 61.246 61.300 0.349 0.000 1.227 634 I CB 1.206 39.344 38.000 0.230 0.000 1.368 634 I HN 0.503 nan 8.210 nan 0.000 0.466 635 F N 7.590 127.593 119.950 0.087 0.000 2.388 635 F HA 0.416 4.944 4.527 0.000 0.000 0.358 635 F C -0.235 175.549 175.800 -0.026 0.000 1.122 635 F CA -0.697 57.239 58.000 -0.107 0.000 1.056 635 F CB 0.669 39.543 39.000 -0.209 0.000 1.155 635 F HN 0.280 nan 8.300 nan 0.000 0.461 636 K N 5.522 125.544 120.400 -0.630 0.000 2.183 636 K HA 0.259 4.579 4.320 -0.000 0.000 0.274 636 K C -1.001 175.249 176.600 -0.583 0.000 1.009 636 K CA -0.698 55.341 56.287 -0.413 0.000 0.888 636 K CB 1.590 33.944 32.500 -0.243 0.000 1.078 636 K HN 0.632 nan 8.250 nan 0.000 0.459 637 H N 0.085 118.950 119.070 -0.342 0.000 2.717 637 H HA 0.275 4.831 4.556 -0.000 0.000 0.366 637 H C 0.182 175.474 175.328 -0.060 0.000 1.132 637 H CA 0.462 56.401 56.048 -0.181 0.000 1.180 637 H CB 1.971 31.674 29.762 -0.098 0.000 1.678 637 H HN 0.843 nan 8.280 nan 0.000 0.537 638 G N 3.714 112.201 108.800 -0.522 0.000 2.248 638 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.252 638 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.252 638 G C -0.790 174.036 174.900 -0.123 0.000 1.085 638 G CA 0.403 45.369 45.100 -0.224 0.000 0.845 638 G HN 0.816 nan 8.290 nan 0.000 0.494 639 D N -0.481 119.828 120.400 -0.151 0.000 2.633 639 D HA 0.281 4.921 4.640 -0.000 0.000 0.198 639 D C -1.530 174.711 176.300 -0.099 0.000 1.273 639 D CA -0.514 53.428 54.000 -0.096 0.000 0.830 639 D CB 1.163 41.914 40.800 -0.082 0.000 1.771 639 D HN -0.034 nan 8.370 nan 0.000 0.547 640 D N 3.656 124.015 120.400 -0.068 0.000 2.336 640 D HA 0.168 4.808 4.640 -0.000 0.000 0.249 640 D C 1.038 177.320 176.300 -0.030 0.000 1.213 640 D CA -0.161 53.803 54.000 -0.059 0.000 0.870 640 D CB 0.950 41.723 40.800 -0.044 0.000 1.076 640 D HN 0.452 nan 8.370 nan 0.000 0.483 641 L N 3.729 124.934 121.223 -0.030 0.000 2.591 641 L HA 0.132 4.472 4.340 -0.000 0.000 0.228 641 L C 2.209 179.099 176.870 0.033 0.000 1.133 641 L CA -0.011 54.837 54.840 0.014 0.000 0.880 641 L CB 0.083 42.154 42.059 0.019 0.000 1.033 641 L HN 0.214 nan 8.230 nan 0.000 0.450 642 R N -0.049 120.457 120.500 0.010 0.000 2.115 642 R HA -0.184 4.156 4.340 -0.000 0.000 0.230 642 R C 2.145 178.451 176.300 0.010 0.000 1.111 642 R CA 1.135 57.237 56.100 0.004 0.000 0.976 642 R CB -0.094 30.195 30.300 -0.018 0.000 0.870 642 R HN 0.375 nan 8.270 nan 0.000 0.445 643 Q N 0.711 120.529 119.800 0.030 0.000 2.123 643 Q HA -0.156 4.184 4.340 -0.000 0.000 0.199 643 Q C 0.832 176.877 176.000 0.075 0.000 0.966 643 Q CA 1.675 57.508 55.803 0.049 0.000 0.845 643 Q CB 0.225 29.000 28.738 0.063 0.000 0.907 643 Q HN 0.196 nan 8.270 nan 0.000 0.439 644 D N -0.137 120.334 120.400 0.118 0.000 2.224 644 D HA -0.136 4.504 4.640 -0.000 0.000 0.205 644 D C 1.569 177.911 176.300 0.071 0.000 0.965 644 D CA 0.625 54.727 54.000 0.170 0.000 0.852 644 D CB -0.004 40.960 40.800 0.273 0.000 0.947 644 D HN 0.311 nan 8.370 nan 0.000 0.494 645 Q N -0.177 119.655 119.800 0.054 0.000 2.020 645 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 645 Q C 2.067 178.043 176.000 -0.040 0.000 0.982 645 Q CA 0.826 56.648 55.803 0.032 0.000 0.838 645 Q CB -0.113 28.653 28.738 0.047 0.000 0.899 645 Q HN 0.223 nan 8.270 nan 0.000 0.423 646 L N 0.725 121.908 121.223 -0.068 0.000 2.017 646 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 646 L C 2.082 178.862 176.870 -0.150 0.000 1.073 646 L CA 1.590 56.353 54.840 -0.129 0.000 0.745 646 L CB -0.567 41.419 42.059 -0.123 0.000 0.894 646 L HN 0.261 nan 8.230 nan 0.000 0.432 647 I N -0.676 119.806 120.570 -0.147 0.000 2.252 647 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 647 I C 2.407 178.332 176.117 -0.321 0.000 1.102 647 I CA 0.950 62.095 61.300 -0.259 0.000 1.385 647 I CB -1.248 36.481 38.000 -0.452 0.000 1.064 647 I HN 0.271 nan 8.210 nan 0.000 0.414 648 L N 0.615 121.668 121.223 -0.284 0.000 2.201 648 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 648 L C 2.530 179.293 176.870 -0.178 0.000 1.105 648 L CA 1.425 56.102 54.840 -0.271 0.000 0.775 648 L CB -1.182 40.713 42.059 -0.274 0.000 0.913 648 L HN 0.472 nan 8.230 nan 0.000 0.440 649 Q N -0.236 119.482 119.800 -0.137 0.000 2.046 649 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 649 Q C 2.171 178.103 176.000 -0.113 0.000 0.975 649 Q CA 1.370 57.106 55.803 -0.112 0.000 0.836 649 Q CB 0.111 28.783 28.738 -0.110 0.000 0.896 649 Q HN 0.310 nan 8.270 nan 0.000 0.428 650 I N 0.992 121.485 120.570 -0.128 0.000 2.286 650 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 650 I C 2.392 178.465 176.117 -0.074 0.000 1.115 650 I CA 1.158 62.408 61.300 -0.082 0.000 1.392 650 I CB -0.806 37.170 38.000 -0.040 0.000 1.065 650 I HN 0.352 nan 8.210 nan 0.000 0.418 651 I N 0.339 120.837 120.570 -0.120 0.000 2.286 651 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 651 I C 2.812 178.864 176.117 -0.109 0.000 1.115 651 I CA 1.431 62.657 61.300 -0.123 0.000 1.392 651 I CB -0.287 37.625 38.000 -0.146 0.000 1.065 651 I HN 0.195 nan 8.210 nan 0.000 0.418 652 S N 0.895 116.531 115.700 -0.107 0.000 2.368 652 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 652 S C 2.045 176.597 174.600 -0.081 0.000 1.030 652 S CA 1.199 59.345 58.200 -0.089 0.000 0.999 652 S CB -0.322 62.825 63.200 -0.088 0.000 0.844 652 S HN 0.328 nan 8.310 nan 0.000 0.459 653 L N 1.580 122.760 121.223 -0.072 0.000 1.994 653 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 653 L C 2.410 179.234 176.870 -0.076 0.000 1.071 653 L CA 2.119 56.923 54.840 -0.061 0.000 0.745 653 L CB -0.788 41.257 42.059 -0.025 0.000 0.892 653 L HN 0.397 nan 8.230 nan 0.000 0.431 654 M N -0.925 118.642 119.600 -0.056 0.000 2.159 654 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 654 M C 1.957 178.215 176.300 -0.071 0.000 1.063 654 M CA 2.027 57.301 55.300 -0.045 0.000 1.110 654 M CB -0.551 32.043 32.600 -0.010 0.000 1.374 654 M HN 0.340 nan 8.290 nan 0.000 0.411 655 D N 0.565 120.914 120.400 -0.085 0.000 2.097 655 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 655 D C 1.834 178.084 176.300 -0.084 0.000 0.989 655 D CA 1.438 55.388 54.000 -0.083 0.000 0.827 655 D CB 0.116 40.868 40.800 -0.080 0.000 0.966 655 D HN 0.177 nan 8.370 nan 0.000 0.456 656 K N -0.206 120.140 120.400 -0.091 0.000 2.044 656 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 656 K C 2.352 178.868 176.600 -0.140 0.000 1.049 656 K CA 1.070 57.296 56.287 -0.101 0.000 0.927 656 K CB -0.305 32.135 32.500 -0.101 0.000 0.713 656 K HN 0.291 nan 8.250 nan 0.000 0.443 657 L N 0.840 121.946 121.223 -0.195 0.000 2.056 657 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 657 L C 2.462 179.210 176.870 -0.204 0.000 1.078 657 L CA 0.998 55.643 54.840 -0.325 0.000 0.749 657 L CB -0.548 41.185 42.059 -0.543 0.000 0.901 657 L HN 0.154 nan 8.230 nan 0.000 0.433 658 L N -0.451 120.694 121.223 -0.130 0.000 2.042 658 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 658 L C 2.864 179.651 176.870 -0.140 0.000 1.076 658 L CA 1.382 56.150 54.840 -0.120 0.000 0.749 658 L CB -0.465 41.564 42.059 -0.050 0.000 0.893 658 L HN 0.200 nan 8.230 nan 0.000 0.432 659 R N -0.191 120.249 120.500 -0.100 0.000 2.092 659 R HA -0.173 4.167 4.340 -0.000 0.000 0.231 659 R C 2.325 178.578 176.300 -0.079 0.000 1.119 659 R CA 1.093 57.147 56.100 -0.077 0.000 0.970 659 R CB -0.213 30.053 30.300 -0.058 0.000 0.864 659 R HN 0.266 nan 8.270 nan 0.000 0.440 660 K N 0.976 121.321 120.400 -0.091 0.000 2.063 660 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 660 K C 1.123 177.686 176.600 -0.061 0.000 1.048 660 K CA 1.278 57.527 56.287 -0.064 0.000 0.928 660 K CB 0.209 32.669 32.500 -0.068 0.000 0.713 660 K HN 0.056 nan 8.250 nan 0.000 0.442 661 E N 0.719 120.840 120.200 -0.131 0.000 2.494 661 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 661 E C -0.101 176.391 176.600 -0.180 0.000 1.074 661 E CA 0.148 56.418 56.400 -0.216 0.000 0.867 661 E CB -0.238 29.072 29.700 -0.650 0.000 0.924 661 E HN 0.339 nan 8.360 nan 0.000 0.502 662 N N 0.015 118.652 118.700 -0.105 0.000 2.815 662 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 662 N C -1.402 174.090 175.510 -0.030 0.000 1.110 662 N CA 0.200 53.224 53.050 -0.044 0.000 0.699 662 N CB -1.166 37.316 38.487 -0.009 0.000 1.040 662 N HN 0.100 nan 8.380 nan 0.000 0.555 663 L N 0.844 122.032 121.223 -0.059 0.000 2.372 663 L HA 0.504 4.844 4.340 -0.000 0.000 0.273 663 L C -0.985 175.877 176.870 -0.014 0.000 0.989 663 L CA -0.762 54.073 54.840 -0.008 0.000 0.841 663 L CB 1.416 43.493 42.059 0.030 0.000 1.225 663 L HN 0.172 nan 8.230 nan 0.000 0.414 664 D N 4.875 125.277 120.400 0.003 0.000 2.412 664 D HA 0.251 4.891 4.640 -0.000 0.000 0.224 664 D C 0.100 176.412 176.300 0.019 0.000 1.093 664 D CA -0.114 53.888 54.000 0.004 0.000 0.850 664 D CB 0.893 41.698 40.800 0.008 0.000 1.046 664 D HN 0.605 nan 8.370 nan 0.000 0.507 665 L N 3.693 124.925 121.223 0.015 0.000 2.783 665 L HA 0.166 4.506 4.340 -0.000 0.000 0.236 665 L C 0.590 177.494 176.870 0.057 0.000 1.225 665 L CA -0.387 54.471 54.840 0.031 0.000 1.026 665 L CB -0.320 41.748 42.059 0.015 0.000 1.314 665 L HN 0.284 nan 8.230 nan 0.000 0.489 666 K N 0.774 121.208 120.400 0.056 0.000 3.148 666 K HA -0.170 4.150 4.320 -0.000 0.000 0.267 666 K C -0.052 176.623 176.600 0.125 0.000 0.996 666 K CA 0.694 57.031 56.287 0.084 0.000 0.737 666 K CB -1.846 30.714 32.500 0.100 0.000 1.308 666 K HN 0.403 nan 8.250 nan 0.000 0.470 667 L N -0.386 120.885 121.223 0.079 0.000 2.475 667 L HA 0.203 4.543 4.340 -0.000 0.000 0.253 667 L C 1.087 178.041 176.870 0.141 0.000 1.198 667 L CA 0.001 54.905 54.840 0.107 0.000 0.814 667 L CB 0.591 42.596 42.059 -0.090 0.000 1.134 667 L HN 0.024 nan 8.230 nan 0.000 0.478 668 T N 1.342 116.038 114.554 0.236 0.000 3.410 668 T HA 0.240 4.590 4.350 -0.000 0.000 0.328 668 T C -2.415 172.338 174.700 0.089 0.000 1.567 668 T CA -0.700 61.438 62.100 0.062 0.000 1.626 668 T CB 0.593 69.312 68.868 -0.249 0.000 0.939 668 T HN 0.339 nan 8.240 nan 0.000 0.656 669 P HA 0.175 nan 4.420 nan 0.000 0.225 669 P C -0.181 177.074 177.300 -0.075 0.000 1.813 669 P CA -0.568 62.493 63.100 -0.065 0.000 1.013 669 P CB -0.991 30.672 31.700 -0.063 0.000 1.961 670 Y N -0.436 119.863 120.300 -0.002 0.000 2.652 670 Y HA 0.152 4.702 4.550 -0.000 0.000 0.344 670 Y C 0.606 176.550 175.900 0.073 0.000 1.254 670 Y CA -0.791 57.313 58.100 0.007 0.000 1.480 670 Y CB 0.165 38.612 38.460 -0.023 0.000 1.345 670 Y HN -0.038 nan 8.280 nan 0.000 0.617 671 K N 2.176 122.733 120.400 0.262 0.000 2.237 671 K HA 0.541 4.861 4.320 -0.000 0.000 0.270 671 K C -1.234 175.534 176.600 0.280 0.000 1.015 671 K CA -0.700 55.715 56.287 0.212 0.000 0.949 671 K CB 1.376 34.002 32.500 0.211 0.000 0.976 671 K HN 0.585 nan 8.250 nan 0.000 0.472 672 V N 3.578 123.622 119.914 0.218 0.000 2.610 672 V HA 0.187 4.307 4.120 -0.000 0.000 0.298 672 V C -1.447 174.779 176.094 0.219 0.000 1.067 672 V CA -0.890 61.550 62.300 0.232 0.000 0.894 672 V CB 1.592 33.536 31.823 0.201 0.000 1.015 672 V HN 0.504 nan 8.190 nan 0.000 0.432 673 L N 4.937 126.287 121.223 0.212 0.000 2.342 673 L HA 0.891 5.231 4.340 -0.000 0.000 0.276 673 L C 0.414 177.373 176.870 0.149 0.000 0.997 673 L CA -0.434 54.510 54.840 0.174 0.000 0.838 673 L CB 1.357 43.419 42.059 0.005 0.000 1.224 673 L HN 0.780 nan 8.230 nan 0.000 0.416 674 A N 2.832 125.742 122.820 0.151 0.000 2.451 674 A HA 0.451 4.771 4.320 -0.000 0.000 0.266 674 A C 1.087 178.712 177.584 0.068 0.000 1.119 674 A CA 0.423 52.511 52.037 0.085 0.000 0.786 674 A CB -0.154 18.890 19.000 0.073 0.000 1.061 674 A HN 0.907 nan 8.150 nan 0.000 0.503 675 T N -0.576 113.986 114.554 0.013 0.000 3.044 675 T HA 0.381 4.731 4.350 -0.000 0.000 0.250 675 T C 0.691 175.432 174.700 0.068 0.000 1.081 675 T CA 0.627 62.738 62.100 0.018 0.000 1.040 675 T CB -0.066 68.847 68.868 0.075 0.000 0.962 675 T HN 0.786 nan 8.240 nan 0.000 0.506 676 S N 0.088 115.620 115.700 -0.280 0.000 2.703 676 S HA 0.403 4.873 4.470 -0.000 0.000 0.273 676 S C 0.963 175.411 174.600 -0.253 0.000 1.178 676 S CA 0.144 58.161 58.200 -0.303 0.000 0.838 676 S CB 0.885 63.721 63.200 -0.607 0.000 1.178 676 S HN 0.343 nan 8.310 nan 0.000 0.494 677 T N 0.061 114.513 114.554 -0.170 0.000 2.977 677 T HA 0.139 4.489 4.350 -0.000 0.000 0.271 677 T C 0.911 175.521 174.700 -0.151 0.000 1.105 677 T CA 0.966 62.994 62.100 -0.120 0.000 1.116 677 T CB -0.145 68.680 68.868 -0.073 0.000 0.878 677 T HN 0.356 nan 8.240 nan 0.000 0.509 678 K N 0.413 120.669 120.400 -0.241 0.000 2.477 678 K HA 0.211 4.531 4.320 -0.000 0.000 0.208 678 K C -0.413 176.042 176.600 -0.240 0.000 1.117 678 K CA -0.037 56.124 56.287 -0.210 0.000 1.039 678 K CB 0.935 33.342 32.500 -0.155 0.000 0.937 678 K HN 0.826 nan 8.250 nan 0.000 0.570 679 H N -3.243 115.710 119.070 -0.195 0.000 2.967 679 H HA 0.687 5.243 4.556 -0.000 0.000 0.318 679 H C -0.091 175.090 175.328 -0.244 0.000 1.375 679 H CA -0.739 55.124 56.048 -0.309 0.000 1.132 679 H CB 1.277 30.867 29.762 -0.288 0.000 1.848 679 H HN 0.051 nan 8.280 nan 0.000 0.524 680 G N -0.638 107.985 108.800 -0.295 0.000 2.315 680 G HA2 0.376 4.336 3.960 -0.000 0.000 0.294 680 G HA3 0.376 4.336 3.960 -0.000 0.000 0.294 680 G C -2.003 172.771 174.900 -0.210 0.000 1.300 680 G CA -1.078 43.962 45.100 -0.099 0.000 0.843 680 G HN 0.429 nan 8.290 nan 0.000 0.527 681 F N -0.209 119.808 119.950 0.112 0.000 2.457 681 F HA 0.908 5.435 4.527 0.000 0.000 0.330 681 F C 0.651 176.533 175.800 0.138 0.000 1.069 681 F CA -0.601 57.515 58.000 0.193 0.000 1.009 681 F CB 2.274 41.350 39.000 0.127 0.000 1.276 681 F HN 0.546 nan 8.300 nan 0.000 0.492 682 M N 1.213 121.052 119.600 0.399 0.000 2.426 682 M HA 0.213 4.693 4.480 -0.000 0.000 0.289 682 M C -1.776 174.726 176.300 0.337 0.000 1.168 682 M CA -0.447 55.046 55.300 0.321 0.000 0.933 682 M CB 2.096 34.832 32.600 0.226 0.000 1.750 682 M HN 0.619 nan 8.290 nan 0.000 0.494 683 Q N 2.666 122.663 119.800 0.329 0.000 2.288 683 Q HA 0.293 4.633 4.340 -0.000 0.000 0.258 683 Q C -1.540 174.570 176.000 0.185 0.000 0.957 683 Q CA -0.295 55.693 55.803 0.309 0.000 0.919 683 Q CB 0.920 29.839 28.738 0.302 0.000 1.185 683 Q HN 0.641 nan 8.270 nan 0.000 0.408 684 F N 6.044 126.037 119.950 0.070 0.000 2.445 684 F HA 0.275 4.802 4.527 -0.000 0.000 0.359 684 F C -0.691 175.103 175.800 -0.011 0.000 1.101 684 F CA -0.478 57.536 58.000 0.023 0.000 1.177 684 F CB 0.421 39.442 39.000 0.036 0.000 1.110 684 F HN 0.385 nan 8.300 nan 0.000 0.522 685 I N 6.508 126.652 120.570 -0.710 0.000 2.355 685 I HA 0.156 4.326 4.170 -0.000 0.000 0.288 685 I C -0.126 175.630 176.117 -0.602 0.000 0.999 685 I CA -0.604 60.406 61.300 -0.483 0.000 1.163 685 I CB 1.300 39.093 38.000 -0.343 0.000 1.316 685 I HN 0.609 nan 8.210 nan 0.000 0.454 686 Q N 5.558 125.152 119.800 -0.342 0.000 2.255 686 Q HA 0.255 4.595 4.340 -0.000 0.000 0.280 686 Q C -0.417 175.574 176.000 -0.014 0.000 1.068 686 Q CA 0.362 56.095 55.803 -0.118 0.000 0.911 686 Q CB 0.565 29.370 28.738 0.111 0.000 1.157 686 Q HN 0.874 nan 8.270 nan 0.000 0.380 687 S N 1.314 117.008 115.700 -0.011 0.000 2.643 687 S HA 0.560 5.030 4.470 -0.000 0.000 0.266 687 S C -1.392 173.190 174.600 -0.031 0.000 1.130 687 S CA -1.065 57.145 58.200 0.017 0.000 0.817 687 S CB 0.979 64.215 63.200 0.061 0.000 1.107 687 S HN 0.346 nan 8.310 nan 0.000 0.471 688 V N 1.966 121.821 119.914 -0.098 0.000 2.588 688 V HA 0.606 4.726 4.120 -0.000 0.000 0.304 688 V C -2.621 173.339 176.094 -0.224 0.000 1.042 688 V CA -2.040 60.187 62.300 -0.122 0.000 0.877 688 V CB 1.790 33.558 31.823 -0.092 0.000 0.996 688 V HN 0.825 nan 8.190 nan 0.000 0.425 689 P HA 0.122 nan 4.420 nan 0.000 0.269 689 P C 0.931 178.092 177.300 -0.232 0.000 1.209 689 P CA 0.070 63.037 63.100 -0.222 0.000 0.776 689 P CB 0.814 32.427 31.700 -0.146 0.000 0.876 690 V N 2.140 121.903 119.914 -0.252 0.000 2.626 690 V HA -0.252 3.868 4.120 -0.000 0.000 0.252 690 V C 2.250 178.239 176.094 -0.175 0.000 1.067 690 V CA 2.569 64.723 62.300 -0.243 0.000 1.081 690 V CB -1.433 30.256 31.823 -0.222 0.000 0.686 690 V HN 0.663 nan 8.190 nan 0.000 0.468 691 A N -0.206 122.532 122.820 -0.135 0.000 1.877 691 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 691 A C 2.263 179.796 177.584 -0.085 0.000 1.186 691 A CA 1.978 53.956 52.037 -0.098 0.000 0.620 691 A CB -0.505 18.446 19.000 -0.082 0.000 0.822 691 A HN 0.611 nan 8.150 nan 0.000 0.443 692 E N -0.287 119.862 120.200 -0.085 0.000 2.085 692 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 692 E C 1.853 178.424 176.600 -0.048 0.000 0.994 692 E CA 1.477 57.845 56.400 -0.054 0.000 0.801 692 E CB -0.162 29.513 29.700 -0.042 0.000 0.743 692 E HN 0.293 nan 8.360 nan 0.000 0.453 693 V N 0.773 120.620 119.914 -0.110 0.000 2.261 693 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 693 V C 2.338 178.401 176.094 -0.053 0.000 1.047 693 V CA 1.373 63.609 62.300 -0.106 0.000 1.015 693 V CB -0.434 31.170 31.823 -0.366 0.000 0.642 693 V HN 0.330 nan 8.190 nan 0.000 0.446 694 L N 0.094 121.264 121.223 -0.089 0.000 2.187 694 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 694 L C 1.951 178.801 176.870 -0.034 0.000 1.100 694 L CA 2.199 57.001 54.840 -0.063 0.000 0.765 694 L CB -0.843 41.171 42.059 -0.074 0.000 0.904 694 L HN 0.446 nan 8.230 nan 0.000 0.437 695 D N -2.583 117.801 120.400 -0.028 0.000 2.355 695 D HA -0.066 4.574 4.640 -0.000 0.000 0.206 695 D C 2.027 178.329 176.300 0.004 0.000 1.010 695 D CA 1.004 54.994 54.000 -0.015 0.000 0.875 695 D CB 0.382 41.169 40.800 -0.022 0.000 0.966 695 D HN 0.368 nan 8.370 nan 0.000 0.512 696 T N -2.636 111.933 114.554 0.024 0.000 2.983 696 T HA 0.073 4.423 4.350 -0.000 0.000 0.250 696 T C 1.414 176.143 174.700 0.048 0.000 1.037 696 T CA 0.439 62.567 62.100 0.046 0.000 1.142 696 T CB 0.095 69.013 68.868 0.083 0.000 0.876 696 T HN -0.100 nan 8.240 nan 0.000 0.455 697 E N 0.414 120.651 120.200 0.061 0.000 2.514 697 E HA 0.329 4.679 4.350 -0.000 0.000 0.215 697 E C 1.673 178.286 176.600 0.021 0.000 0.946 697 E CA 0.682 57.115 56.400 0.055 0.000 1.038 697 E CB 0.813 30.589 29.700 0.126 0.000 1.069 697 E HN 0.646 nan 8.360 nan 0.000 0.503 698 G N 1.857 110.660 108.800 0.005 0.000 2.317 698 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.227 698 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.227 698 G C 0.478 175.363 174.900 -0.025 0.000 1.042 698 G CA 0.481 45.574 45.100 -0.012 0.000 0.623 698 G HN 0.559 nan 8.290 nan 0.000 0.509 699 S N -1.193 114.489 115.700 -0.030 0.000 2.588 699 S HA 0.681 5.151 4.470 -0.000 0.000 0.269 699 S C 0.855 175.395 174.600 -0.100 0.000 1.157 699 S CA -0.155 58.011 58.200 -0.057 0.000 0.824 699 S CB 1.064 64.242 63.200 -0.037 0.000 1.126 699 S HN 0.481 nan 8.310 nan 0.000 0.464 700 I N 1.241 121.707 120.570 -0.173 0.000 2.264 700 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 700 I C 2.747 178.662 176.117 -0.335 0.000 1.111 700 I CA 1.368 62.451 61.300 -0.361 0.000 1.382 700 I CB -0.394 37.369 38.000 -0.395 0.000 1.060 700 I HN 0.688 nan 8.210 nan 0.000 0.418 701 Q N 0.441 120.161 119.800 -0.133 0.000 2.119 701 Q HA -0.159 4.181 4.340 -0.000 0.000 0.201 701 Q C 1.921 177.936 176.000 0.026 0.000 0.972 701 Q CA 1.135 56.932 55.803 -0.008 0.000 0.847 701 Q CB -0.237 28.511 28.738 0.017 0.000 0.903 701 Q HN 0.553 nan 8.270 nan 0.000 0.433 702 N N 0.487 119.188 118.700 0.003 0.000 2.223 702 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 702 N C 1.433 176.957 175.510 0.023 0.000 1.016 702 N CA 0.800 53.855 53.050 0.008 0.000 0.863 702 N CB -0.349 38.138 38.487 -0.000 0.000 0.983 702 N HN 0.204 nan 8.380 nan 0.000 0.429 703 F N 0.654 120.526 119.950 -0.130 0.000 2.113 703 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 703 F C 1.787 177.617 175.800 0.050 0.000 1.103 703 F CA 1.183 59.133 58.000 -0.083 0.000 1.248 703 F CB -0.188 38.654 39.000 -0.263 0.000 0.999 703 F HN -0.168 nan 8.300 nan 0.000 0.475 704 F N 0.734 120.827 119.950 0.238 0.000 2.186 704 F HA -0.017 4.510 4.527 -0.000 0.000 0.299 704 F C 2.581 178.375 175.800 -0.010 0.000 1.090 704 F CA 1.095 59.165 58.000 0.118 0.000 1.307 704 F CB -1.241 37.816 39.000 0.096 0.000 1.019 704 F HN -0.120 nan 8.300 nan 0.000 0.489 705 R N 0.331 120.918 120.500 0.145 0.000 2.083 705 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 705 R C 2.334 178.587 176.300 -0.078 0.000 1.137 705 R CA 1.737 57.854 56.100 0.028 0.000 0.951 705 R CB -0.275 30.029 30.300 0.006 0.000 0.851 705 R HN 0.183 nan 8.270 nan 0.000 0.434 706 K N -0.440 119.843 120.400 -0.196 0.000 1.985 706 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 706 K C 1.616 177.934 176.600 -0.470 0.000 1.047 706 K CA 1.758 57.790 56.287 -0.425 0.000 0.932 706 K CB -0.099 31.976 32.500 -0.708 0.000 0.716 706 K HN 0.208 nan 8.250 nan 0.000 0.439 707 Y N -1.267 118.894 120.300 -0.233 0.000 2.523 707 Y HA 0.223 4.773 4.550 0.000 0.000 0.279 707 Y C 0.622 176.481 175.900 -0.068 0.000 1.139 707 Y CA 0.138 58.121 58.100 -0.195 0.000 1.296 707 Y CB 0.880 39.123 38.460 -0.361 0.000 1.045 707 Y HN 0.107 nan 8.280 nan 0.000 0.538 708 A N 0.584 123.460 122.820 0.093 0.000 3.415 708 A HA 0.336 4.656 4.320 -0.000 0.000 0.244 708 A C -2.901 174.710 177.584 0.046 0.000 0.988 708 A CA -1.049 51.034 52.037 0.077 0.000 0.991 708 A CB -0.206 18.849 19.000 0.090 0.000 1.240 708 A HN -0.127 nan 8.150 nan 0.000 0.541 709 P HA 0.358 nan 4.420 nan 0.000 0.278 709 P C -0.232 177.073 177.300 0.009 0.000 1.238 709 P CA 0.041 63.146 63.100 0.010 0.000 0.794 709 P CB 1.763 33.454 31.700 -0.014 0.000 0.955 710 S N 0.804 116.510 115.700 0.010 0.000 2.776 710 S HA 0.185 4.655 4.470 -0.000 0.000 0.284 710 S C 1.019 175.624 174.600 0.007 0.000 1.160 710 S CA -0.447 57.758 58.200 0.008 0.000 1.051 710 S CB 0.747 63.952 63.200 0.009 0.000 1.037 710 S HN 0.468 nan 8.310 nan 0.000 0.485 711 E N 4.986 125.189 120.200 0.005 0.000 2.181 711 E HA -0.297 4.053 4.350 -0.000 0.000 0.225 711 E C 0.913 177.517 176.600 0.007 0.000 1.073 711 E CA 2.928 59.331 56.400 0.004 0.000 0.916 711 E CB -0.321 29.381 29.700 0.004 0.000 0.793 711 E HN 0.836 nan 8.360 nan 0.000 0.472 712 N N -0.496 118.210 118.700 0.009 0.000 2.299 712 N HA 0.183 4.923 4.740 -0.000 0.000 0.187 712 N C 0.202 175.720 175.510 0.014 0.000 1.099 712 N CA 0.218 53.274 53.050 0.011 0.000 0.867 712 N CB 0.606 39.099 38.487 0.011 0.000 0.974 712 N HN 0.258 nan 8.380 nan 0.000 0.477 713 G N 1.928 110.736 108.800 0.014 0.000 2.614 713 G HA2 0.102 4.062 3.960 -0.000 0.000 0.239 713 G HA3 0.102 4.062 3.960 -0.000 0.000 0.239 713 G C -2.280 172.633 174.900 0.021 0.000 1.240 713 G CA -0.769 44.341 45.100 0.016 0.000 0.842 713 G HN -0.011 nan 8.290 nan 0.000 0.584 714 P HA 0.003 nan 4.420 nan 0.000 0.264 714 P C -0.033 177.288 177.300 0.036 0.000 1.193 714 P CA 0.154 63.274 63.100 0.033 0.000 0.763 714 P CB 0.181 31.907 31.700 0.042 0.000 0.810 715 N N 2.347 121.067 118.700 0.033 0.000 2.677 715 N HA -0.245 4.495 4.740 -0.000 0.000 0.249 715 N C 1.011 176.540 175.510 0.031 0.000 1.073 715 N CA 1.030 54.099 53.050 0.032 0.000 0.737 715 N CB -1.548 36.962 38.487 0.039 0.000 0.999 715 N HN 0.883 nan 8.380 nan 0.000 0.543 716 G N -1.503 107.312 108.800 0.025 0.000 2.179 716 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 716 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 716 G C 0.108 175.025 174.900 0.029 0.000 0.977 716 G CA 0.466 45.579 45.100 0.022 0.000 0.641 716 G HN 0.494 nan 8.290 nan 0.000 0.533 717 I N 1.534 122.126 120.570 0.036 0.000 2.460 717 I HA 0.487 4.657 4.170 -0.000 0.000 0.298 717 I C 1.106 177.228 176.117 0.008 0.000 0.989 717 I CA -0.529 60.794 61.300 0.038 0.000 1.173 717 I CB 1.899 39.936 38.000 0.063 0.000 1.338 717 I HN 0.273 nan 8.210 nan 0.000 0.456 718 S N 4.185 119.881 115.700 -0.006 0.000 2.560 718 S HA 0.176 4.646 4.470 -0.000 0.000 0.284 718 S C 1.161 175.748 174.600 -0.022 0.000 1.327 718 S CA -0.013 58.181 58.200 -0.010 0.000 1.055 718 S CB 1.428 64.623 63.200 -0.009 0.000 0.868 718 S HN 0.777 nan 8.310 nan 0.000 0.506 719 A N 2.480 125.298 122.820 -0.004 0.000 2.019 719 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 719 A C 2.153 179.737 177.584 0.000 0.000 1.164 719 A CA 1.483 53.523 52.037 0.004 0.000 0.644 719 A CB -0.849 18.160 19.000 0.015 0.000 0.805 719 A HN 1.003 nan 8.150 nan 0.000 0.449 720 E N -0.266 119.931 120.200 -0.004 0.000 2.028 720 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 720 E C 1.939 178.526 176.600 -0.022 0.000 0.988 720 E CA 1.388 57.787 56.400 -0.001 0.000 0.799 720 E CB -0.090 29.613 29.700 0.006 0.000 0.755 720 E HN 0.313 nan 8.360 nan 0.000 0.447 721 V N 1.178 121.051 119.914 -0.068 0.000 2.343 721 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 721 V C 2.429 178.394 176.094 -0.217 0.000 1.051 721 V CA 1.781 63.984 62.300 -0.162 0.000 1.036 721 V CB -0.353 31.314 31.823 -0.260 0.000 0.654 721 V HN 0.374 nan 8.190 nan 0.000 0.451 722 M N 0.477 119.979 119.600 -0.164 0.000 2.296 722 M HA -0.117 4.363 4.480 -0.000 0.000 0.265 722 M C 1.566 177.912 176.300 0.076 0.000 1.064 722 M CA 1.861 57.127 55.300 -0.056 0.000 1.109 722 M CB -0.690 31.904 32.600 -0.010 0.000 1.396 722 M HN 0.442 nan 8.290 nan 0.000 0.430 723 D N -1.150 119.278 120.400 0.047 0.000 2.077 723 D HA -0.138 4.502 4.640 -0.000 0.000 0.196 723 D C 1.583 177.939 176.300 0.093 0.000 0.986 723 D CA 2.070 56.112 54.000 0.071 0.000 0.829 723 D CB -0.243 40.586 40.800 0.047 0.000 0.983 723 D HN 0.348 nan 8.370 nan 0.000 0.453 724 T N -0.769 113.833 114.554 0.080 0.000 2.721 724 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 724 T C 1.593 176.383 174.700 0.150 0.000 1.038 724 T CA 1.590 63.752 62.100 0.103 0.000 1.145 724 T CB -0.692 68.232 68.868 0.094 0.000 0.858 724 T HN 0.320 nan 8.240 nan 0.000 0.459 725 Y N 1.354 121.678 120.300 0.040 0.000 2.089 725 Y HA -0.163 4.387 4.550 -0.000 0.000 0.282 725 Y C 2.410 178.398 175.900 0.147 0.000 1.139 725 Y CA 1.040 59.199 58.100 0.099 0.000 1.123 725 Y CB -0.535 37.958 38.460 0.056 0.000 0.980 725 Y HN -0.057 nan 8.280 nan 0.000 0.493 726 V N 0.847 120.840 119.914 0.132 0.000 2.380 726 V HA -0.352 3.768 4.120 -0.000 0.000 0.251 726 V C 2.210 178.380 176.094 0.126 0.000 1.063 726 V CA 2.394 64.765 62.300 0.117 0.000 1.055 726 V CB -0.594 31.342 31.823 0.188 0.000 0.657 726 V HN 0.372 nan 8.190 nan 0.000 0.455 727 K N 0.459 120.919 120.400 0.099 0.000 2.001 727 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 727 K C 2.434 179.098 176.600 0.106 0.000 1.048 727 K CA 1.689 58.029 56.287 0.089 0.000 0.932 727 K CB -0.364 32.181 32.500 0.076 0.000 0.715 727 K HN 0.630 nan 8.250 nan 0.000 0.437 728 S N 0.555 116.328 115.700 0.122 0.000 2.383 728 S HA -0.176 4.294 4.470 -0.000 0.000 0.227 728 S C 2.326 177.087 174.600 0.268 0.000 1.026 728 S CA 1.154 59.485 58.200 0.218 0.000 0.981 728 S CB -0.884 62.487 63.200 0.285 0.000 0.818 728 S HN 0.306 nan 8.310 nan 0.000 0.472 729 C N 2.394 121.755 119.300 0.101 0.000 2.393 729 C HA -0.013 4.447 4.460 -0.000 0.000 0.276 729 C C 3.364 178.592 174.990 0.398 0.000 1.215 729 C CA 0.858 59.962 59.018 0.144 0.000 1.743 729 C CB -1.791 25.866 27.740 -0.138 0.000 2.044 729 C HN 0.762 nan 8.230 nan 0.000 0.464 730 A N 0.565 123.603 122.820 0.362 0.000 1.883 730 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 730 A C 2.395 180.014 177.584 0.059 0.000 1.186 730 A CA 2.339 54.439 52.037 0.105 0.000 0.624 730 A CB -1.337 17.623 19.000 -0.067 0.000 0.822 730 A HN 0.582 nan 8.150 nan 0.000 0.444 731 G N -1.849 106.996 108.800 0.075 0.000 2.433 731 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 731 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 731 G C 1.457 176.337 174.900 -0.033 0.000 1.186 731 G CA 1.177 46.264 45.100 -0.021 0.000 0.779 731 G HN 0.531 nan 8.290 nan 0.000 0.543 732 Y N -0.172 120.204 120.300 0.127 0.000 2.421 732 Y HA -0.048 4.502 4.550 -0.000 0.000 0.292 732 Y C 2.954 178.887 175.900 0.056 0.000 1.136 732 Y CA 0.587 58.753 58.100 0.110 0.000 1.255 732 Y CB -0.516 38.099 38.460 0.259 0.000 0.991 732 Y HN 0.334 nan 8.280 nan 0.000 0.552 733 C N -1.014 118.435 119.300 0.247 0.000 2.453 733 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 733 C C 2.635 177.680 174.990 0.091 0.000 1.262 733 C CA 1.153 60.280 59.018 0.182 0.000 1.718 733 C CB -1.175 26.713 27.740 0.246 0.000 2.031 733 C HN 0.335 nan 8.230 nan 0.000 0.480 734 V N 1.154 121.097 119.914 0.047 0.000 2.295 734 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 734 V C 2.368 178.531 176.094 0.115 0.000 1.049 734 V CA 2.422 64.756 62.300 0.057 0.000 1.024 734 V CB -0.609 31.250 31.823 0.060 0.000 0.648 734 V HN 0.577 nan 8.190 nan 0.000 0.447 735 I N 0.842 121.445 120.570 0.055 0.000 2.252 735 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 735 I C 2.709 178.836 176.117 0.016 0.000 1.102 735 I CA 2.011 63.320 61.300 0.016 0.000 1.385 735 I CB -0.597 37.360 38.000 -0.072 0.000 1.064 735 I HN 0.507 nan 8.210 nan 0.000 0.414 736 T N -1.399 113.177 114.554 0.036 0.000 2.867 736 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 736 T C 1.827 176.544 174.700 0.029 0.000 1.057 736 T CA 1.119 63.227 62.100 0.014 0.000 1.136 736 T CB -0.783 68.046 68.868 -0.066 0.000 0.874 736 T HN 0.421 nan 8.240 nan 0.000 0.466 737 Y N 2.312 122.574 120.300 -0.063 0.000 2.114 737 Y HA -0.021 4.529 4.550 -0.000 0.000 0.284 737 Y C 2.015 177.849 175.900 -0.112 0.000 1.143 737 Y CA 0.800 58.848 58.100 -0.088 0.000 1.135 737 Y CB -0.656 37.725 38.460 -0.132 0.000 0.980 737 Y HN 0.176 nan 8.280 nan 0.000 0.499 738 I N 0.283 120.605 120.570 -0.414 0.000 2.208 738 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 738 I C 2.155 178.017 176.117 -0.426 0.000 1.097 738 I CA 1.421 62.375 61.300 -0.578 0.000 1.363 738 I CB -0.375 37.377 38.000 -0.414 0.000 1.051 738 I HN 0.291 nan 8.210 nan 0.000 0.413 739 L N 0.187 121.267 121.223 -0.239 0.000 2.554 739 L HA 0.147 4.487 4.340 -0.000 0.000 0.226 739 L C 1.588 178.379 176.870 -0.131 0.000 1.137 739 L CA 0.559 55.302 54.840 -0.161 0.000 0.863 739 L CB -0.792 41.231 42.059 -0.059 0.000 0.985 739 L HN 0.517 nan 8.230 nan 0.000 0.451 740 G N 1.255 109.967 108.800 -0.146 0.000 2.225 740 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.267 740 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.267 740 G C 0.339 175.250 174.900 0.017 0.000 1.024 740 G CA 0.555 45.609 45.100 -0.077 0.000 0.784 740 G HN 0.255 nan 8.290 nan 0.000 0.507 741 V N 0.673 120.619 119.914 0.052 0.000 2.529 741 V HA 0.613 4.733 4.120 -0.000 0.000 0.292 741 V C 1.079 177.236 176.094 0.105 0.000 1.028 741 V CA 1.056 63.437 62.300 0.136 0.000 1.074 741 V CB 0.749 32.710 31.823 0.231 0.000 0.958 741 V HN 1.008 nan 8.190 nan 0.000 0.481 742 G N 4.000 112.878 108.800 0.129 0.000 2.795 742 G HA2 0.438 4.398 3.960 -0.000 0.000 0.267 742 G HA3 0.438 4.398 3.960 -0.000 0.000 0.267 742 G C -0.001 174.864 174.900 -0.059 0.000 1.362 742 G CA 0.074 45.209 45.100 0.057 0.000 1.048 742 G HN 1.185 nan 8.290 nan 0.000 0.547 743 D N -1.382 118.885 120.400 -0.222 0.000 2.737 743 D HA -0.131 4.509 4.640 -0.000 0.000 0.238 743 D C 0.614 176.727 176.300 -0.313 0.000 1.157 743 D CA 0.258 54.036 54.000 -0.370 0.000 0.694 743 D CB -0.263 40.125 40.800 -0.688 0.000 1.021 743 D HN 0.210 nan 8.370 nan 0.000 0.420 744 R N 1.270 121.650 120.500 -0.199 0.000 3.351 744 R HA 0.135 4.475 4.340 -0.000 0.000 0.296 744 R C 0.351 176.537 176.300 -0.189 0.000 1.427 744 R CA -0.349 55.643 56.100 -0.180 0.000 1.257 744 R CB -0.722 29.561 30.300 -0.027 0.000 1.378 744 R HN 0.612 nan 8.270 nan 0.000 0.610 745 H N -2.438 116.566 119.070 -0.112 0.000 2.730 745 H HA 0.065 4.621 4.556 -0.000 0.000 0.376 745 H C 1.086 176.331 175.328 -0.138 0.000 1.299 745 H CA -0.409 55.568 56.048 -0.117 0.000 1.447 745 H CB 0.693 30.384 29.762 -0.118 0.000 1.493 745 H HN 0.025 nan 8.280 nan 0.000 0.619 746 L N 0.000 121.280 121.223 0.095 0.000 2.650 746 L HA -0.018 4.322 4.340 -0.000 0.000 0.235 746 L C 0.740 177.600 176.870 -0.017 0.000 1.149 746 L CA 0.645 55.469 54.840 -0.026 0.000 0.887 746 L CB -0.208 41.814 42.059 -0.062 0.000 1.021 746 L HN 0.712 nan 8.230 nan 0.000 0.441 747 D N -0.458 120.051 120.400 0.181 0.000 2.360 747 D HA 0.005 4.645 4.640 -0.000 0.000 0.210 747 D C 1.123 177.384 176.300 -0.066 0.000 1.047 747 D CA 0.303 54.341 54.000 0.063 0.000 0.854 747 D CB 0.361 41.215 40.800 0.090 0.000 0.936 747 D HN 0.284 nan 8.370 nan 0.000 0.514 748 N N 0.224 118.800 118.700 -0.208 0.000 2.280 748 N HA 0.041 4.781 4.740 -0.000 0.000 0.192 748 N C -0.195 175.037 175.510 -0.462 0.000 1.109 748 N CA 0.068 52.895 53.050 -0.372 0.000 0.855 748 N CB 0.864 39.035 38.487 -0.527 0.000 0.974 748 N HN 0.074 nan 8.380 nan 0.000 0.482 749 L N 1.630 122.576 121.223 -0.462 0.000 2.276 749 L HA 0.356 4.696 4.340 -0.000 0.000 0.286 749 L C -0.588 175.950 176.870 -0.553 0.000 1.024 749 L CA -0.401 54.078 54.840 -0.602 0.000 0.826 749 L CB 1.096 42.867 42.059 -0.480 0.000 1.211 749 L HN -0.180 nan 8.230 nan 0.000 0.422 750 L N 4.041 124.791 121.223 -0.788 0.000 2.352 750 L HA 0.649 4.989 4.340 -0.000 0.000 0.269 750 L C -0.524 175.950 176.870 -0.661 0.000 1.034 750 L CA -0.654 53.704 54.840 -0.805 0.000 0.806 750 L CB 1.580 42.946 42.059 -1.155 0.000 1.244 750 L HN 0.336 nan 8.230 nan 0.000 0.447 751 L N 0.432 121.415 121.223 -0.399 0.000 2.464 751 L HA 0.681 5.021 4.340 -0.000 0.000 0.266 751 L C -0.194 176.657 176.870 -0.031 0.000 0.965 751 L CA -0.120 54.613 54.840 -0.178 0.000 0.833 751 L CB 1.996 43.844 42.059 -0.353 0.000 1.296 751 L HN 0.794 nan 8.230 nan 0.000 0.405 752 T N 0.054 114.721 114.554 0.189 0.000 2.945 752 T HA 0.434 4.784 4.350 -0.000 0.000 0.286 752 T C 0.765 175.708 174.700 0.405 0.000 1.025 752 T CA -0.616 61.635 62.100 0.251 0.000 1.039 752 T CB 1.264 70.281 68.868 0.248 0.000 1.068 752 T HN 0.674 nan 8.240 nan 0.000 0.497 753 K N 0.409 121.040 120.400 0.384 0.000 2.442 753 K HA -0.019 4.301 4.320 -0.000 0.000 0.198 753 K C 1.848 178.643 176.600 0.325 0.000 1.042 753 K CA 1.270 57.812 56.287 0.426 0.000 0.958 753 K CB -0.230 32.341 32.500 0.117 0.000 0.766 753 K HN 0.856 nan 8.250 nan 0.000 0.474 754 T N -3.456 111.245 114.554 0.245 0.000 3.086 754 T HA 0.221 4.571 4.350 -0.000 0.000 0.250 754 T C 1.294 176.064 174.700 0.117 0.000 1.074 754 T CA 0.401 62.590 62.100 0.148 0.000 0.988 754 T CB 0.592 69.529 68.868 0.115 0.000 0.988 754 T HN 0.304 nan 8.240 nan 0.000 0.530 755 G N 1.241 110.163 108.800 0.204 0.000 2.213 755 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.226 755 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.226 755 G C 0.008 175.104 174.900 0.326 0.000 0.992 755 G CA -0.276 44.900 45.100 0.126 0.000 0.632 755 G HN 0.615 nan 8.290 nan 0.000 0.511 756 K N 0.560 121.135 120.400 0.292 0.000 2.419 756 K HA 0.394 4.714 4.320 -0.000 0.000 0.282 756 K C -0.003 176.815 176.600 0.363 0.000 1.056 756 K CA -0.250 56.222 56.287 0.309 0.000 1.035 756 K CB 0.634 33.300 32.500 0.276 0.000 0.921 756 K HN 0.226 nan 8.250 nan 0.000 0.472 757 L N 6.000 127.410 121.223 0.313 0.000 2.307 757 L HA 0.516 4.856 4.340 -0.000 0.000 0.282 757 L C -0.824 176.163 176.870 0.196 0.000 1.051 757 L CA -0.076 54.867 54.840 0.173 0.000 0.804 757 L CB 0.419 42.508 42.059 0.050 0.000 1.197 757 L HN 0.541 nan 8.230 nan 0.000 0.431 758 F N 1.458 121.264 119.950 -0.239 0.000 2.715 758 F HA 0.596 5.123 4.527 0.000 0.000 0.318 758 F C -1.055 174.412 175.800 -0.556 0.000 1.141 758 F CA -0.982 56.670 58.000 -0.581 0.000 0.950 758 F CB 1.181 40.063 39.000 -0.197 0.000 1.374 758 F HN 0.379 nan 8.300 nan 0.000 0.477 759 H N 1.408 120.263 119.070 -0.358 0.000 2.492 759 H HA 0.748 5.304 4.556 -0.000 0.000 0.345 759 H C -0.690 174.696 175.328 0.097 0.000 1.136 759 H CA -0.432 55.515 56.048 -0.168 0.000 1.202 759 H CB 2.535 32.297 29.762 -0.000 0.000 1.524 759 H HN 0.795 nan 8.280 nan 0.000 0.506 760 I N -1.219 119.256 120.570 -0.158 0.000 3.042 760 I HA 0.410 4.580 4.170 -0.000 0.000 0.310 760 I C -0.710 175.020 176.117 -0.646 0.000 1.117 760 I CA -1.057 60.123 61.300 -0.199 0.000 1.003 760 I CB 2.365 40.315 38.000 -0.082 0.000 1.228 760 I HN 0.479 nan 8.210 nan 0.000 0.443 761 D N 2.276 122.361 120.400 -0.525 0.000 4.520 761 D HA -0.198 4.442 4.640 -0.000 0.000 0.245 761 D C -1.484 174.539 176.300 -0.462 0.000 1.068 761 D CA 0.626 54.420 54.000 -0.343 0.000 1.211 761 D CB -0.729 39.946 40.800 -0.207 0.000 0.818 761 D HN 0.560 nan 8.370 nan 0.000 0.392 762 F N 1.660 121.681 119.950 0.118 0.000 2.942 762 F HA 0.450 4.977 4.527 -0.000 0.000 0.324 762 F C 1.973 177.843 175.800 0.116 0.000 1.265 762 F CA -0.061 58.009 58.000 0.117 0.000 1.255 762 F CB 0.911 39.974 39.000 0.105 0.000 1.048 762 F HN 0.353 nan 8.300 nan 0.000 0.512 763 G N -0.726 108.214 108.800 0.233 0.000 2.471 763 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.219 763 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.219 763 G C 0.081 175.050 174.900 0.116 0.000 1.125 763 G CA 0.543 45.758 45.100 0.191 0.000 0.775 763 G HN 0.388 nan 8.290 nan 0.000 0.548 764 Y N 0.456 120.801 120.300 0.077 0.000 2.426 764 Y HA 0.506 5.056 4.550 -0.000 0.000 0.325 764 Y C 0.222 176.171 175.900 0.082 0.000 0.989 764 Y CA -1.286 56.851 58.100 0.061 0.000 1.284 764 Y CB 1.005 39.485 38.460 0.034 0.000 1.104 764 Y HN 0.117 nan 8.280 nan 0.000 0.481 765 I N -1.249 119.413 120.570 0.154 0.000 3.294 765 I HA 0.597 4.767 4.170 -0.000 0.000 0.311 765 I C -0.098 176.047 176.117 0.047 0.000 1.111 765 I CA -1.566 59.803 61.300 0.115 0.000 0.976 765 I CB 2.098 40.166 38.000 0.114 0.000 1.260 765 I HN 0.480 nan 8.210 nan 0.000 0.474 766 L N 1.908 123.128 121.223 -0.005 0.000 3.634 766 L HA -0.228 4.112 4.340 -0.000 0.000 0.423 766 L C 1.059 177.909 176.870 -0.033 0.000 1.253 766 L CA 0.703 55.507 54.840 -0.060 0.000 0.885 766 L CB -2.217 39.801 42.059 -0.069 0.000 1.789 766 L HN 1.319 nan 8.230 nan 0.000 0.904 767 G N -1.116 107.679 108.800 -0.008 0.000 2.179 767 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 767 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 767 G C 0.501 175.432 174.900 0.051 0.000 0.977 767 G CA 0.474 45.581 45.100 0.012 0.000 0.641 767 G HN 0.461 nan 8.290 nan 0.000 0.533 768 R N 0.732 121.277 120.500 0.074 0.000 2.590 768 R HA 0.472 4.812 4.340 -0.000 0.000 0.274 768 R C -0.493 175.967 176.300 0.266 0.000 1.061 768 R CA 0.783 56.965 56.100 0.136 0.000 1.081 768 R CB 0.383 30.728 30.300 0.075 0.000 0.984 768 R HN 0.403 nan 8.270 nan 0.000 0.448 769 D N 1.307 121.883 120.400 0.294 0.000 2.717 769 D HA 0.201 4.841 4.640 -0.000 0.000 0.223 769 D C -1.912 174.490 176.300 0.169 0.000 1.240 769 D CA -1.227 52.889 54.000 0.192 0.000 0.801 769 D CB 1.868 42.700 40.800 0.053 0.000 1.556 769 D HN 0.157 nan 8.370 nan 0.000 0.462 770 P HA -0.042 nan 4.420 nan 0.000 0.221 770 P C -0.044 177.268 177.300 0.020 0.000 1.150 770 P CA 0.676 63.784 63.100 0.014 0.000 0.800 770 P CB 0.386 31.966 31.700 -0.200 0.000 0.787 771 K N 0.659 121.052 120.400 -0.012 0.000 2.095 771 K HA 0.407 4.727 4.320 -0.000 0.000 0.252 771 K C -2.331 174.280 176.600 0.018 0.000 0.977 771 K CA -2.341 53.945 56.287 -0.001 0.000 0.900 771 K CB 0.860 33.348 32.500 -0.019 0.000 1.060 771 K HN -0.048 nan 8.250 nan 0.000 0.449 772 P HA 0.206 nan 4.420 nan 0.000 0.285 772 P C -0.690 176.621 177.300 0.018 0.000 1.269 772 P CA -0.433 62.680 63.100 0.022 0.000 0.844 772 P CB 0.612 32.323 31.700 0.019 0.000 1.094 773 L N -1.444 119.792 121.223 0.023 0.000 3.713 773 L HA -0.139 4.201 4.340 -0.000 0.000 0.499 773 L C -1.765 175.117 176.870 0.021 0.000 1.281 773 L CA -0.387 54.467 54.840 0.022 0.000 0.796 773 L CB -1.845 40.225 42.059 0.018 0.000 1.535 773 L HN 0.443 nan 8.230 nan 0.000 0.851 774 P HA 0.416 nan 4.420 nan 0.000 0.282 774 P C -2.061 175.257 177.300 0.029 0.000 1.249 774 P CA -1.114 61.998 63.100 0.021 0.000 0.806 774 P CB 0.467 32.181 31.700 0.023 0.000 0.984 775 P HA 0.186 nan 4.420 nan 0.000 0.272 775 P C -1.966 175.368 177.300 0.057 0.000 1.240 775 P CA -1.369 61.754 63.100 0.038 0.000 0.791 775 P CB -0.142 31.575 31.700 0.027 0.000 0.978 776 P HA 0.083 nan 4.420 nan 0.000 0.227 776 P C 0.512 177.923 177.300 0.184 0.000 1.161 776 P CA 1.105 64.285 63.100 0.134 0.000 0.788 776 P CB 0.449 32.265 31.700 0.194 0.000 0.822 777 M N 0.455 120.116 119.600 0.103 0.000 2.134 777 M HA 0.319 4.799 4.480 -0.000 0.000 0.310 777 M C -1.136 175.192 176.300 0.046 0.000 0.966 777 M CA -0.519 54.823 55.300 0.070 0.000 0.922 777 M CB 1.774 34.335 32.600 -0.065 0.000 1.537 777 M HN -0.354 nan 8.290 nan 0.000 0.424 778 K N 6.438 126.874 120.400 0.061 0.000 2.414 778 K HA 0.477 4.797 4.320 -0.000 0.000 0.251 778 K C -1.175 175.456 176.600 0.051 0.000 1.037 778 K CA -0.373 55.940 56.287 0.044 0.000 0.980 778 K CB 1.262 33.788 32.500 0.043 0.000 1.280 778 K HN 0.703 nan 8.250 nan 0.000 0.451 779 L N 1.524 122.764 121.223 0.029 0.000 2.335 779 L HA 0.418 4.758 4.340 -0.000 0.000 0.268 779 L C -0.009 176.843 176.870 -0.029 0.000 1.016 779 L CA -0.921 53.934 54.840 0.025 0.000 0.805 779 L CB 1.429 43.512 42.059 0.040 0.000 1.311 779 L HN 0.541 nan 8.230 nan 0.000 0.456 780 N N 0.152 118.822 118.700 -0.050 0.000 2.258 780 N HA 0.224 4.964 4.740 -0.000 0.000 0.299 780 N C -0.121 175.303 175.510 -0.143 0.000 1.047 780 N CA -0.561 52.434 53.050 -0.092 0.000 0.814 780 N CB 2.539 40.985 38.487 -0.069 0.000 1.413 780 N HN 0.502 nan 8.380 nan 0.000 0.478 781 K N 1.041 121.306 120.400 -0.226 0.000 2.020 781 K HA -0.177 4.143 4.320 -0.000 0.000 0.212 781 K C 1.316 177.846 176.600 -0.118 0.000 1.050 781 K CA 1.526 57.618 56.287 -0.325 0.000 0.929 781 K CB 0.108 32.409 32.500 -0.331 0.000 0.714 781 K HN 0.606 nan 8.250 nan 0.000 0.443 782 E N 0.706 120.858 120.200 -0.079 0.000 2.482 782 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 782 E C 1.750 178.353 176.600 0.005 0.000 1.047 782 E CA 0.569 56.951 56.400 -0.030 0.000 0.869 782 E CB -0.177 29.491 29.700 -0.053 0.000 0.836 782 E HN 0.385 nan 8.360 nan 0.000 0.520 783 M N 0.997 120.602 119.600 0.007 0.000 2.248 783 M HA -0.077 4.403 4.480 -0.000 0.000 0.265 783 M C 1.907 178.266 176.300 0.099 0.000 1.079 783 M CA 0.883 56.225 55.300 0.072 0.000 1.150 783 M CB 0.141 32.737 32.600 -0.007 0.000 1.366 783 M HN -0.015 nan 8.290 nan 0.000 0.433 784 V N 1.145 121.080 119.914 0.036 0.000 2.407 784 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 784 V C 1.950 178.112 176.094 0.113 0.000 1.055 784 V CA 2.006 64.344 62.300 0.062 0.000 1.049 784 V CB -0.928 30.975 31.823 0.133 0.000 0.662 784 V HN 0.530 nan 8.190 nan 0.000 0.455 785 E N 0.381 120.658 120.200 0.129 0.000 2.153 785 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 785 E C 2.332 178.972 176.600 0.066 0.000 0.988 785 E CA 1.014 57.470 56.400 0.094 0.000 0.811 785 E CB -0.461 29.292 29.700 0.088 0.000 0.746 785 E HN 0.663 nan 8.360 nan 0.000 0.466 786 G N 1.117 109.966 108.800 0.081 0.000 2.475 786 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 786 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 786 G C 1.415 176.362 174.900 0.080 0.000 1.125 786 G CA 0.719 45.825 45.100 0.010 0.000 0.755 786 G HN 0.171 nan 8.290 nan 0.000 0.565 787 M N 0.344 120.090 119.600 0.243 0.000 2.561 787 M HA 0.293 4.773 4.480 -0.000 0.000 0.238 787 M C 1.581 177.969 176.300 0.146 0.000 1.131 787 M CA 0.665 56.117 55.300 0.252 0.000 1.046 787 M CB 0.517 33.283 32.600 0.277 0.000 1.532 787 M HN 0.280 nan 8.290 nan 0.000 0.497 788 G N 0.681 109.535 108.800 0.090 0.000 2.132 788 G HA2 0.016 3.976 3.960 -0.000 0.000 0.228 788 G HA3 0.016 3.976 3.960 -0.000 0.000 0.228 788 G C 0.403 175.306 174.900 0.005 0.000 1.000 788 G CA -0.104 45.025 45.100 0.048 0.000 0.693 788 G HN 0.980 nan 8.290 nan 0.000 0.515 789 G N -1.939 106.847 108.800 -0.024 0.000 2.795 789 G HA2 0.250 4.210 3.960 -0.000 0.000 0.664 789 G HA3 0.250 4.210 3.960 -0.000 0.000 0.664 789 G C 1.030 175.776 174.900 -0.256 0.000 1.381 789 G CA 0.863 45.871 45.100 -0.153 0.000 0.853 789 G HN 1.977 nan 8.290 nan 0.000 0.545 790 T N -2.542 111.719 114.554 -0.488 0.000 3.035 790 T HA -0.007 4.343 4.350 -0.000 0.000 0.268 790 T C 1.743 176.295 174.700 -0.248 0.000 1.109 790 T CA 2.062 63.727 62.100 -0.725 0.000 1.119 790 T CB 0.014 68.462 68.868 -0.701 0.000 0.900 790 T HN 0.571 nan 8.240 nan 0.000 0.503 791 Q N 1.943 121.658 119.800 -0.142 0.000 2.425 791 Q HA 0.196 4.536 4.340 -0.000 0.000 0.204 791 Q C 1.284 177.310 176.000 0.043 0.000 0.933 791 Q CA 0.221 56.010 55.803 -0.025 0.000 0.939 791 Q CB 0.041 28.750 28.738 -0.048 0.000 1.044 791 Q HN 0.794 nan 8.270 nan 0.000 0.513 792 S N 0.664 116.405 115.700 0.068 0.000 2.614 792 S HA 0.086 4.556 4.470 -0.000 0.000 0.265 792 S C 1.189 175.878 174.600 0.149 0.000 1.303 792 S CA -0.428 57.832 58.200 0.100 0.000 1.000 792 S CB 1.209 64.472 63.200 0.105 0.000 0.935 792 S HN 0.318 nan 8.310 nan 0.000 0.551 793 E N 0.695 120.963 120.200 0.114 0.000 2.152 793 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 793 E C 1.530 178.205 176.600 0.124 0.000 0.983 793 E CA 0.752 57.216 56.400 0.107 0.000 0.818 793 E CB -0.436 29.309 29.700 0.075 0.000 0.758 793 E HN 0.662 nan 8.360 nan 0.000 0.467 794 Q N 0.368 120.253 119.800 0.143 0.000 2.135 794 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 794 Q C 1.766 177.899 176.000 0.222 0.000 0.981 794 Q CA 1.797 57.700 55.803 0.167 0.000 0.856 794 Q CB -0.605 28.242 28.738 0.182 0.000 0.902 794 Q HN 0.519 nan 8.270 nan 0.000 0.425 795 Y N 0.615 120.988 120.300 0.121 0.000 2.293 795 Y HA -0.181 4.369 4.550 0.000 0.000 0.291 795 Y C 1.757 177.763 175.900 0.176 0.000 1.137 795 Y CA 1.236 59.431 58.100 0.158 0.000 1.202 795 Y CB 0.168 38.690 38.460 0.105 0.000 0.990 795 Y HN 0.086 nan 8.280 nan 0.000 0.537 796 Q N 0.027 119.841 119.800 0.023 0.000 2.172 796 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 796 Q C 2.034 177.971 176.000 -0.105 0.000 0.964 796 Q CA 1.471 57.226 55.803 -0.080 0.000 0.855 796 Q CB -0.193 28.560 28.738 0.025 0.000 0.918 796 Q HN 0.498 nan 8.270 nan 0.000 0.444 797 E N 0.566 120.756 120.200 -0.017 0.000 2.072 797 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 797 E C 1.622 178.188 176.600 -0.056 0.000 0.982 797 E CA 0.607 56.996 56.400 -0.019 0.000 0.803 797 E CB -0.398 29.331 29.700 0.048 0.000 0.755 797 E HN 0.242 nan 8.360 nan 0.000 0.453 798 F N 1.296 121.156 119.950 -0.148 0.000 2.091 798 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 798 F C 2.068 177.673 175.800 -0.325 0.000 1.103 798 F CA 2.012 59.904 58.000 -0.181 0.000 1.228 798 F CB -0.225 38.705 39.000 -0.118 0.000 0.984 798 F HN -0.061 nan 8.300 nan 0.000 0.477 799 R N 0.093 120.194 120.500 -0.665 0.000 2.092 799 R HA -0.143 4.197 4.340 -0.000 0.000 0.231 799 R C 2.218 177.708 176.300 -1.349 0.000 1.119 799 R CA 1.453 56.971 56.100 -0.970 0.000 0.970 799 R CB -0.402 29.504 30.300 -0.655 0.000 0.864 799 R HN 0.259 nan 8.270 nan 0.000 0.440 800 K N 1.056 120.970 120.400 -0.810 0.000 2.032 800 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 800 K C 1.955 178.256 176.600 -0.499 0.000 1.048 800 K CA 1.616 57.552 56.287 -0.584 0.000 0.927 800 K CB 0.023 32.400 32.500 -0.206 0.000 0.712 800 K HN 0.067 nan 8.250 nan 0.000 0.441 801 Q N -0.099 119.457 119.800 -0.405 0.000 2.172 801 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 801 Q C 2.455 178.300 176.000 -0.259 0.000 0.964 801 Q CA 1.292 56.953 55.803 -0.237 0.000 0.855 801 Q CB -0.376 28.266 28.738 -0.160 0.000 0.918 801 Q HN 0.424 nan 8.270 nan 0.000 0.444 802 C N 0.541 119.546 119.300 -0.492 0.000 2.413 802 C HA -0.177 4.283 4.460 -0.000 0.000 0.277 802 C C 2.563 177.481 174.990 -0.120 0.000 1.228 802 C CA 0.651 59.432 59.018 -0.395 0.000 1.731 802 C CB -1.269 26.092 27.740 -0.633 0.000 2.042 802 C HN 0.462 nan 8.230 nan 0.000 0.468 803 Y N 1.734 121.971 120.300 -0.105 0.000 2.097 803 Y HA -0.186 4.364 4.550 -0.000 0.000 0.282 803 Y C 2.946 178.875 175.900 0.049 0.000 1.152 803 Y CA 1.745 59.849 58.100 0.006 0.000 1.136 803 Y CB -1.981 36.467 38.460 -0.021 0.000 0.975 803 Y HN 0.501 nan 8.280 nan 0.000 0.498 804 T N -1.362 113.266 114.554 0.123 0.000 2.701 804 T HA -0.148 4.202 4.350 -0.000 0.000 0.263 804 T C 2.244 176.974 174.700 0.050 0.000 1.040 804 T CA 1.562 63.673 62.100 0.017 0.000 1.147 804 T CB -0.890 67.973 68.868 -0.008 0.000 0.865 804 T HN 0.287 nan 8.240 nan 0.000 0.426 805 A N 1.107 124.014 122.820 0.145 0.000 1.927 805 A HA -0.047 4.273 4.320 -0.000 0.000 0.220 805 A C 2.141 179.905 177.584 0.300 0.000 1.185 805 A CA 2.083 54.255 52.037 0.225 0.000 0.639 805 A CB -1.375 17.703 19.000 0.131 0.000 0.820 805 A HN 0.585 nan 8.150 nan 0.000 0.451 806 F N 0.580 120.596 119.950 0.111 0.000 2.075 806 F HA -0.116 4.411 4.527 -0.000 0.000 0.297 806 F C 2.057 177.965 175.800 0.180 0.000 1.113 806 F CA 1.478 59.576 58.000 0.164 0.000 1.218 806 F CB -0.680 38.404 39.000 0.140 0.000 0.984 806 F HN 0.148 nan 8.300 nan 0.000 0.472 807 L N -0.553 120.684 121.223 0.022 0.000 2.013 807 L HA -0.320 4.020 4.340 -0.000 0.000 0.212 807 L C 2.550 179.379 176.870 -0.068 0.000 1.073 807 L CA 2.140 56.900 54.840 -0.134 0.000 0.753 807 L CB -1.345 40.637 42.059 -0.128 0.000 0.890 807 L HN 0.270 nan 8.230 nan 0.000 0.432 808 H N -0.340 118.768 119.070 0.064 0.000 2.267 808 H HA -0.175 4.381 4.556 0.000 0.000 0.297 808 H C 2.440 177.865 175.328 0.163 0.000 1.080 808 H CA 1.346 57.456 56.048 0.103 0.000 1.278 808 H CB -0.028 29.815 29.762 0.135 0.000 1.365 808 H HN 0.182 nan 8.280 nan 0.000 0.489 809 L N 0.660 122.091 121.223 0.346 0.000 2.079 809 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 809 L C 2.417 179.438 176.870 0.252 0.000 1.081 809 L CA 1.383 56.446 54.840 0.372 0.000 0.752 809 L CB -0.364 41.955 42.059 0.434 0.000 0.896 809 L HN 0.409 nan 8.230 nan 0.000 0.433 810 R N -0.069 120.483 120.500 0.088 0.000 2.189 810 R HA -0.125 4.215 4.340 -0.000 0.000 0.223 810 R C 2.135 178.250 176.300 -0.309 0.000 1.092 810 R CA 0.713 56.655 56.100 -0.262 0.000 0.989 810 R CB -0.448 29.704 30.300 -0.247 0.000 0.876 810 R HN 0.369 nan 8.270 nan 0.000 0.457 811 R N 0.286 120.670 120.500 -0.193 0.000 2.189 811 R HA -0.081 4.259 4.340 -0.000 0.000 0.223 811 R C 0.463 176.479 176.300 -0.474 0.000 1.092 811 R CA 1.073 56.978 56.100 -0.326 0.000 0.989 811 R CB -0.016 30.082 30.300 -0.337 0.000 0.876 811 R HN 0.311 nan 8.270 nan 0.000 0.457 812 Y N -0.056 120.163 120.300 -0.135 0.000 2.746 812 Y HA 0.087 4.636 4.550 -0.000 0.000 0.312 812 Y C 1.798 177.562 175.900 -0.228 0.000 1.117 812 Y CA -0.309 57.717 58.100 -0.124 0.000 1.324 812 Y CB 0.243 38.679 38.460 -0.039 0.000 1.173 812 Y HN 0.052 nan 8.280 nan 0.000 0.529 813 S N -0.972 114.512 115.700 -0.360 0.000 2.399 813 S HA -0.214 4.256 4.470 -0.000 0.000 0.231 813 S C 1.823 176.289 174.600 -0.223 0.000 1.022 813 S CA 1.642 59.472 58.200 -0.616 0.000 0.983 813 S CB -0.222 62.439 63.200 -0.898 0.000 0.803 813 S HN 0.463 nan 8.310 nan 0.000 0.480 814 N N 1.679 120.293 118.700 -0.143 0.000 2.043 814 N HA -0.047 4.693 4.740 -0.000 0.000 0.193 814 N C 1.698 177.195 175.510 -0.022 0.000 1.037 814 N CA 1.519 54.530 53.050 -0.064 0.000 0.851 814 N CB -0.644 37.809 38.487 -0.056 0.000 1.027 814 N HN 0.471 nan 8.380 nan 0.000 0.422 815 L N 0.608 121.829 121.223 -0.003 0.000 2.017 815 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 815 L C 1.804 178.680 176.870 0.010 0.000 1.073 815 L CA 1.480 56.307 54.840 -0.022 0.000 0.745 815 L CB -0.580 41.486 42.059 0.012 0.000 0.894 815 L HN 0.229 nan 8.230 nan 0.000 0.432 816 I N -0.619 120.001 120.570 0.083 0.000 2.163 816 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 816 I C 2.379 178.655 176.117 0.264 0.000 1.085 816 I CA 1.719 63.133 61.300 0.190 0.000 1.347 816 I CB -0.397 37.788 38.000 0.310 0.000 1.044 816 I HN 0.304 nan 8.210 nan 0.000 0.408 817 L N 0.061 121.400 121.223 0.194 0.000 2.156 817 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 817 L C 2.257 179.220 176.870 0.154 0.000 1.095 817 L CA 0.758 55.720 54.840 0.203 0.000 0.770 817 L CB -0.657 41.471 42.059 0.115 0.000 0.914 817 L HN 0.280 nan 8.230 nan 0.000 0.439 818 N N 0.398 119.143 118.700 0.075 0.000 2.106 818 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 818 N C 1.987 177.519 175.510 0.036 0.000 1.029 818 N CA 1.223 54.296 53.050 0.037 0.000 0.848 818 N CB -0.289 38.185 38.487 -0.022 0.000 1.007 818 N HN 0.246 nan 8.380 nan 0.000 0.423 819 L N -0.328 120.894 121.223 -0.002 0.000 2.043 819 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 819 L C 2.026 178.842 176.870 -0.090 0.000 1.075 819 L CA 1.183 55.983 54.840 -0.067 0.000 0.752 819 L CB -0.452 41.540 42.059 -0.112 0.000 0.891 819 L HN 0.077 nan 8.230 nan 0.000 0.432 820 F N -0.308 119.655 119.950 0.022 0.000 2.293 820 F HA -0.170 4.357 4.527 0.000 0.000 0.300 820 F C 2.673 178.496 175.800 0.039 0.000 1.086 820 F CA 1.244 59.260 58.000 0.027 0.000 1.375 820 F CB -0.358 38.660 39.000 0.030 0.000 1.045 820 F HN -0.016 nan 8.300 nan 0.000 0.516 821 S N 0.222 116.040 115.700 0.196 0.000 2.382 821 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 821 S C 2.005 176.690 174.600 0.142 0.000 1.027 821 S CA 0.934 59.222 58.200 0.147 0.000 0.991 821 S CB -0.467 62.798 63.200 0.109 0.000 0.823 821 S HN 0.318 nan 8.310 nan 0.000 0.469 822 L N -0.244 121.052 121.223 0.121 0.000 2.551 822 L HA 0.132 4.472 4.340 -0.000 0.000 0.228 822 L C 1.760 178.719 176.870 0.148 0.000 1.153 822 L CA 0.565 55.504 54.840 0.165 0.000 0.851 822 L CB -0.240 41.885 42.059 0.110 0.000 0.959 822 L HN 0.309 nan 8.230 nan 0.000 0.451 823 M N -1.311 118.350 119.600 0.101 0.000 2.313 823 M HA 0.054 4.534 4.480 -0.000 0.000 0.273 823 M C 1.579 177.943 176.300 0.106 0.000 1.049 823 M CA 0.376 55.710 55.300 0.057 0.000 1.004 823 M CB 0.440 33.018 32.600 -0.036 0.000 1.461 823 M HN 0.066 nan 8.290 nan 0.000 0.514 824 V N -2.582 117.418 119.914 0.142 0.000 2.970 824 V HA 0.008 4.128 4.120 -0.000 0.000 0.260 824 V C 0.547 176.709 176.094 0.113 0.000 1.100 824 V CA 1.540 63.916 62.300 0.127 0.000 1.122 824 V CB -0.531 31.360 31.823 0.114 0.000 0.721 824 V HN 0.249 nan 8.190 nan 0.000 0.483 825 D N 1.137 121.621 120.400 0.142 0.000 2.424 825 D HA 0.473 5.113 4.640 -0.000 0.000 0.220 825 D C 0.833 177.187 176.300 0.089 0.000 1.150 825 D CA 0.671 54.748 54.000 0.128 0.000 0.831 825 D CB 1.003 41.922 40.800 0.198 0.000 0.981 825 D HN 0.645 nan 8.370 nan 0.000 0.500 826 A N 0.720 123.582 122.820 0.070 0.000 2.286 826 A HA 0.358 4.678 4.320 -0.000 0.000 0.286 826 A C 0.445 178.044 177.584 0.026 0.000 1.097 826 A CA -0.552 51.506 52.037 0.035 0.000 0.821 826 A CB 0.518 19.524 19.000 0.010 0.000 1.076 826 A HN -0.092 nan 8.150 nan 0.000 0.490 827 N N 1.230 119.935 118.700 0.009 0.000 3.124 827 N HA 0.284 5.024 4.740 -0.000 0.000 0.284 827 N C -1.182 174.327 175.510 -0.003 0.000 1.209 827 N CA 0.454 53.507 53.050 0.004 0.000 1.149 827 N CB -0.086 38.400 38.487 -0.002 0.000 1.434 827 N HN 0.508 nan 8.380 nan 0.000 0.529 828 I N 1.235 121.809 120.570 0.007 0.000 2.411 828 I HA 0.231 4.401 4.170 -0.000 0.000 0.284 828 I C -1.481 174.641 176.117 0.009 0.000 1.012 828 I CA -2.246 59.058 61.300 0.008 0.000 1.119 828 I CB 2.683 40.693 38.000 0.016 0.000 1.261 828 I HN -0.031 nan 8.210 nan 0.000 0.448 829 P HA -0.224 nan 4.420 nan 0.000 0.219 829 P C 0.652 177.940 177.300 -0.020 0.000 1.161 829 P CA 1.652 64.740 63.100 -0.021 0.000 0.909 829 P CB 0.221 31.896 31.700 -0.042 0.000 0.793 830 D N -1.693 118.697 120.400 -0.017 0.000 2.219 830 D HA -0.067 4.573 4.640 -0.000 0.000 0.205 830 D C 1.887 178.194 176.300 0.012 0.000 0.970 830 D CA 0.734 54.726 54.000 -0.014 0.000 0.851 830 D CB -0.504 40.292 40.800 -0.007 0.000 0.943 830 D HN 0.211 nan 8.370 nan 0.000 0.488 831 I N 0.497 121.088 120.570 0.035 0.000 2.277 831 I HA -0.112 4.058 4.170 -0.000 0.000 0.243 831 I C 2.228 178.365 176.117 0.033 0.000 1.094 831 I CA 0.584 61.915 61.300 0.051 0.000 1.393 831 I CB -0.156 37.894 38.000 0.084 0.000 1.078 831 I HN -0.050 nan 8.210 nan 0.000 0.417 832 A N 0.453 123.287 122.820 0.024 0.000 2.178 832 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 832 A C 2.231 179.821 177.584 0.010 0.000 1.157 832 A CA 1.180 53.228 52.037 0.019 0.000 0.689 832 A CB -0.582 18.425 19.000 0.012 0.000 0.787 832 A HN 0.429 nan 8.150 nan 0.000 0.465 833 L N -1.250 119.976 121.223 0.003 0.000 2.102 833 L HA 0.072 4.412 4.340 -0.000 0.000 0.202 833 L C 0.458 177.329 176.870 0.001 0.000 1.076 833 L CA 1.199 56.036 54.840 -0.004 0.000 0.761 833 L CB 0.190 42.241 42.059 -0.014 0.000 0.921 833 L HN 0.376 nan 8.230 nan 0.000 0.444 834 E N -1.319 118.883 120.200 0.004 0.000 3.352 834 E HA 0.141 4.491 4.350 -0.000 0.000 0.254 834 E C -2.073 174.534 176.600 0.012 0.000 1.229 834 E CA -1.244 55.159 56.400 0.004 0.000 0.949 834 E CB 1.045 30.744 29.700 -0.003 0.000 1.373 834 E HN 0.092 nan 8.360 nan 0.000 0.392 835 P HA -0.223 nan 4.420 nan 0.000 0.216 835 P C 0.718 178.036 177.300 0.030 0.000 1.157 835 P CA 1.302 64.422 63.100 0.034 0.000 0.880 835 P CB 0.278 31.998 31.700 0.034 0.000 0.791 836 D N -0.968 119.442 120.400 0.016 0.000 2.269 836 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 836 D C 1.493 177.797 176.300 0.007 0.000 0.963 836 D CA 1.035 55.042 54.000 0.013 0.000 0.864 836 D CB -0.323 40.479 40.800 0.003 0.000 0.936 836 D HN 0.335 nan 8.370 nan 0.000 0.505 837 K N -0.167 120.232 120.400 -0.001 0.000 2.379 837 K HA 0.094 4.414 4.320 -0.000 0.000 0.194 837 K C 1.820 178.404 176.600 -0.027 0.000 1.031 837 K CA 0.235 56.514 56.287 -0.014 0.000 1.037 837 K CB 0.296 32.786 32.500 -0.017 0.000 0.824 837 K HN -0.051 nan 8.250 nan 0.000 0.516 838 T N 1.514 116.058 114.554 -0.016 0.000 2.597 838 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 838 T C 2.042 176.687 174.700 -0.091 0.000 1.053 838 T CA 1.724 63.802 62.100 -0.037 0.000 1.165 838 T CB -0.392 68.493 68.868 0.029 0.000 0.863 838 T HN -0.054 nan 8.240 nan 0.000 0.427 839 V N 1.543 121.439 119.914 -0.029 0.000 2.332 839 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 839 V C 2.481 178.538 176.094 -0.063 0.000 1.055 839 V CA 1.642 63.923 62.300 -0.031 0.000 1.038 839 V CB -0.548 31.302 31.823 0.044 0.000 0.651 839 V HN 0.440 nan 8.190 nan 0.000 0.450 840 K N -0.181 120.189 120.400 -0.050 0.000 2.288 840 K HA -0.131 4.189 4.320 -0.000 0.000 0.201 840 K C 2.142 178.697 176.600 -0.074 0.000 1.048 840 K CA 0.950 57.208 56.287 -0.050 0.000 0.956 840 K CB 0.008 32.483 32.500 -0.041 0.000 0.746 840 K HN 0.426 nan 8.250 nan 0.000 0.461 841 K N -0.044 120.291 120.400 -0.108 0.000 2.103 841 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 841 K C 1.905 178.380 176.600 -0.208 0.000 1.052 841 K CA 0.940 57.144 56.287 -0.138 0.000 0.945 841 K CB 0.194 32.612 32.500 -0.138 0.000 0.722 841 K HN -0.043 nan 8.250 nan 0.000 0.443 842 V N 1.577 121.328 119.914 -0.271 0.000 2.323 842 V HA -0.257 3.863 4.120 -0.000 0.000 0.244 842 V C 2.519 178.514 176.094 -0.164 0.000 1.041 842 V CA 1.773 63.876 62.300 -0.328 0.000 1.025 842 V CB -0.551 30.984 31.823 -0.481 0.000 0.656 842 V HN 0.400 nan 8.190 nan 0.000 0.451 843 Q N -0.077 119.718 119.800 -0.007 0.000 2.096 843 Q HA -0.309 4.031 4.340 -0.000 0.000 0.204 843 Q C 2.115 178.186 176.000 0.119 0.000 0.982 843 Q CA 2.210 58.109 55.803 0.160 0.000 0.850 843 Q CB -0.340 28.446 28.738 0.080 0.000 0.901 843 Q HN 0.632 nan 8.270 nan 0.000 0.422 844 D N 0.171 120.575 120.400 0.007 0.000 2.149 844 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 844 D C 1.619 177.941 176.300 0.036 0.000 0.990 844 D CA 0.938 54.944 54.000 0.011 0.000 0.839 844 D CB 0.147 40.933 40.800 -0.024 0.000 0.948 844 D HN 0.197 nan 8.370 nan 0.000 0.460 845 K N -0.052 120.297 120.400 -0.084 0.000 2.211 845 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 845 K C 1.922 178.620 176.600 0.163 0.000 1.047 845 K CA 0.465 56.651 56.287 -0.169 0.000 0.935 845 K CB -0.474 31.633 32.500 -0.655 0.000 0.728 845 K HN 0.278 nan 8.250 nan 0.000 0.452 846 F N 1.271 121.352 119.950 0.219 0.000 2.748 846 F HA 0.046 4.573 4.527 -0.000 0.000 0.299 846 F C 0.447 176.353 175.800 0.175 0.000 1.154 846 F CA 0.108 58.249 58.000 0.236 0.000 1.446 846 F CB -0.023 39.013 39.000 0.060 0.000 1.112 846 F HN -0.100 nan 8.300 nan 0.000 0.584 847 R N 0.509 121.210 120.500 0.335 0.000 3.301 847 R HA -0.222 4.118 4.340 -0.000 0.000 0.249 847 R C 0.987 177.341 176.300 0.090 0.000 0.964 847 R CA 0.223 56.421 56.100 0.163 0.000 0.653 847 R CB -2.613 27.792 30.300 0.175 0.000 1.043 847 R HN 0.398 nan 8.270 nan 0.000 0.454 848 L N 0.219 121.490 121.223 0.081 0.000 2.353 848 L HA -0.195 4.145 4.340 -0.000 0.000 0.220 848 L C 2.253 179.123 176.870 0.001 0.000 1.133 848 L CA 1.745 56.595 54.840 0.017 0.000 0.798 848 L CB -0.358 41.706 42.059 0.008 0.000 0.922 848 L HN 0.320 nan 8.230 nan 0.000 0.445 849 D N 0.447 120.847 120.400 -0.000 0.000 2.219 849 D HA -0.130 4.510 4.640 -0.000 0.000 0.205 849 D C 0.962 177.255 176.300 -0.010 0.000 0.970 849 D CA 0.696 54.690 54.000 -0.009 0.000 0.851 849 D CB -0.164 40.623 40.800 -0.022 0.000 0.943 849 D HN 0.247 nan 8.370 nan 0.000 0.488 850 L N 1.319 122.537 121.223 -0.007 0.000 2.399 850 L HA 0.212 4.552 4.340 -0.000 0.000 0.266 850 L C 1.105 177.972 176.870 -0.005 0.000 1.114 850 L CA -0.736 54.104 54.840 -0.000 0.000 0.804 850 L CB 1.491 43.565 42.059 0.024 0.000 1.146 850 L HN 0.046 nan 8.230 nan 0.000 0.451 851 S N -0.321 115.375 115.700 -0.006 0.000 2.661 851 S HA 0.130 4.600 4.470 -0.000 0.000 0.265 851 S C 0.479 175.070 174.600 -0.015 0.000 1.225 851 S CA -0.711 57.479 58.200 -0.017 0.000 0.986 851 S CB 1.121 64.310 63.200 -0.018 0.000 1.008 851 S HN 0.580 nan 8.310 nan 0.000 0.565 852 D N 0.560 120.942 120.400 -0.030 0.000 2.123 852 D HA -0.106 4.534 4.640 -0.000 0.000 0.196 852 D C 1.787 178.084 176.300 -0.004 0.000 0.992 852 D CA 1.503 55.485 54.000 -0.030 0.000 0.833 852 D CB -0.420 40.353 40.800 -0.045 0.000 0.954 852 D HN 0.783 nan 8.370 nan 0.000 0.455 853 E N 0.462 120.657 120.200 -0.009 0.000 2.070 853 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 853 E C 1.591 178.202 176.600 0.017 0.000 1.004 853 E CA 1.166 57.561 56.400 -0.007 0.000 0.805 853 E CB 0.090 29.779 29.700 -0.018 0.000 0.744 853 E HN 0.401 nan 8.360 nan 0.000 0.451 854 E N -0.391 119.826 120.200 0.028 0.000 2.299 854 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 854 E C 1.836 178.532 176.600 0.160 0.000 0.998 854 E CA 0.500 56.940 56.400 0.066 0.000 0.851 854 E CB 0.100 29.817 29.700 0.028 0.000 0.795 854 E HN 0.245 nan 8.360 nan 0.000 0.492 855 A N 1.119 124.029 122.820 0.149 0.000 1.929 855 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 855 A C 2.464 180.237 177.584 0.314 0.000 1.176 855 A CA 0.825 53.033 52.037 0.286 0.000 0.628 855 A CB -0.487 18.604 19.000 0.151 0.000 0.816 855 A HN 0.102 nan 8.150 nan 0.000 0.444 856 V N -0.003 119.984 119.914 0.122 0.000 2.295 856 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 856 V C 2.544 178.520 176.094 -0.197 0.000 1.049 856 V CA 2.187 64.432 62.300 -0.091 0.000 1.024 856 V CB -1.117 30.585 31.823 -0.202 0.000 0.648 856 V HN 0.797 nan 8.190 nan 0.000 0.447 857 H N -0.714 118.280 119.070 -0.127 0.000 2.319 857 H HA -0.260 4.296 4.556 -0.000 0.000 0.299 857 H C 2.380 177.696 175.328 -0.021 0.000 1.092 857 H CA 2.620 58.609 56.048 -0.098 0.000 1.302 857 H CB -0.308 29.435 29.762 -0.031 0.000 1.373 857 H HN 0.493 nan 8.280 nan 0.000 0.497 858 Y N 1.149 121.477 120.300 0.046 0.000 2.114 858 Y HA -0.293 4.257 4.550 -0.000 0.000 0.282 858 Y C 2.790 178.625 175.900 -0.110 0.000 1.165 858 Y CA 2.345 60.448 58.100 0.006 0.000 1.148 858 Y CB -0.720 37.802 38.460 0.104 0.000 0.972 858 Y HN 0.266 nan 8.280 nan 0.000 0.504 859 M N 0.736 120.139 119.600 -0.328 0.000 2.086 859 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 859 M C 2.380 178.482 176.300 -0.329 0.000 1.067 859 M CA 2.236 57.230 55.300 -0.509 0.000 1.116 859 M CB -0.895 31.578 32.600 -0.211 0.000 1.348 859 M HN 0.504 nan 8.290 nan 0.000 0.407 860 Q N -0.745 118.925 119.800 -0.216 0.000 2.096 860 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 860 Q C 1.851 177.744 176.000 -0.180 0.000 0.982 860 Q CA 2.310 58.044 55.803 -0.114 0.000 0.850 860 Q CB -0.119 28.439 28.738 -0.300 0.000 0.901 860 Q HN 0.641 nan 8.270 nan 0.000 0.422 861 S N 0.939 116.459 115.700 -0.299 0.000 2.353 861 S HA -0.177 4.293 4.470 -0.000 0.000 0.222 861 S C 1.925 176.406 174.600 -0.198 0.000 1.035 861 S CA 1.328 59.385 58.200 -0.237 0.000 1.025 861 S CB -0.425 62.641 63.200 -0.224 0.000 0.902 861 S HN 0.379 nan 8.310 nan 0.000 0.440 862 L N 0.927 121.947 121.223 -0.338 0.000 2.013 862 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 862 L C 2.289 179.060 176.870 -0.164 0.000 1.073 862 L CA 1.404 56.054 54.840 -0.317 0.000 0.753 862 L CB -0.601 41.108 42.059 -0.582 0.000 0.890 862 L HN 0.328 nan 8.230 nan 0.000 0.432 863 I N -0.538 119.952 120.570 -0.134 0.000 2.226 863 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 863 I C 2.097 178.282 176.117 0.114 0.000 1.100 863 I CA 1.135 62.444 61.300 0.015 0.000 1.374 863 I CB -0.393 37.630 38.000 0.037 0.000 1.057 863 I HN 0.281 nan 8.210 nan 0.000 0.413 864 D N 0.851 121.299 120.400 0.081 0.000 2.077 864 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 864 D C 2.073 178.448 176.300 0.126 0.000 0.986 864 D CA 1.133 55.209 54.000 0.128 0.000 0.829 864 D CB -0.369 40.470 40.800 0.065 0.000 0.983 864 D HN 0.311 nan 8.370 nan 0.000 0.453 865 E N 0.507 120.742 120.200 0.058 0.000 2.086 865 E HA -0.187 4.163 4.350 -0.000 0.000 0.205 865 E C 2.189 178.859 176.600 0.116 0.000 1.027 865 E CA 1.390 57.836 56.400 0.077 0.000 0.830 865 E CB -0.081 29.634 29.700 0.025 0.000 0.751 865 E HN 0.100 nan 8.360 nan 0.000 0.456 866 S N 0.182 115.926 115.700 0.074 0.000 2.345 866 S HA -0.114 4.356 4.470 -0.000 0.000 0.220 866 S C 2.228 176.873 174.600 0.075 0.000 1.031 866 S CA 0.911 59.145 58.200 0.057 0.000 0.996 866 S CB -0.194 63.026 63.200 0.032 0.000 0.882 866 S HN 0.058 nan 8.310 nan 0.000 0.445 867 V N 1.574 121.574 119.914 0.142 0.000 2.332 867 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 867 V C 2.241 178.471 176.094 0.227 0.000 1.055 867 V CA 2.334 64.745 62.300 0.185 0.000 1.038 867 V CB -0.804 31.203 31.823 0.307 0.000 0.651 867 V HN 0.571 nan 8.190 nan 0.000 0.450 868 H N 0.906 120.066 119.070 0.151 0.000 2.290 868 H HA -0.169 4.387 4.556 -0.000 0.000 0.298 868 H C 2.154 177.533 175.328 0.086 0.000 1.087 868 H CA 2.212 58.345 56.048 0.142 0.000 1.291 868 H CB -0.384 29.433 29.762 0.091 0.000 1.369 868 H HN 0.337 nan 8.280 nan 0.000 0.492 869 A N 0.772 123.586 122.820 -0.010 0.000 1.986 869 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 869 A C 2.569 180.049 177.584 -0.173 0.000 1.171 869 A CA 1.763 53.745 52.037 -0.091 0.000 0.640 869 A CB -0.934 18.064 19.000 -0.003 0.000 0.811 869 A HN 0.526 nan 8.150 nan 0.000 0.451 870 L N -2.289 118.802 121.223 -0.220 0.000 2.056 870 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 870 L C 0.931 177.473 176.870 -0.546 0.000 1.078 870 L CA 0.567 55.146 54.840 -0.434 0.000 0.749 870 L CB -0.423 41.265 42.059 -0.619 0.000 0.901 870 L HN 0.378 nan 8.230 nan 0.000 0.433 871 F N 0.000 119.860 119.950 -0.150 0.000 2.286 871 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 871 F CA 0.000 57.906 58.000 -0.158 0.000 1.383 871 F CB 0.000 38.927 39.000 -0.122 0.000 1.145 871 F HN 0.000 nan 8.300 nan 0.000 0.574