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_B DATA FIRST_RESID -1 DATA SEQUENCE MXXXXXXXXX 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 XXXSDHDLKP NAATRDQLNI DATA SEQUENCE IVSYPPTKQL TYEEQDLVWK FRYYLTNQEK ALTKFLKCVN WDLPQEAKQA DATA SEQUENCE LELLGKWKPM DVEDSLELLS SHYTNPTVRR YAVARLRQAD DEDLLMYLLQ DATA SEQUENCE LVQALKYENF DDIKNGLXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXEQDLCTF LISRACKNST LANYLYWYVI DATA SEQUENCE VECEDQDTQQ RDPKTHEMYL NVMRRFSQAL LKGDKSVRVM RSLLAAQQTF DATA SEQUENCE VDRLVHLMKA VQRESGNRKK KNERLQALLG DNEKMNLSDV ELIPLPLEPQ DATA SEQUENCE VKIRGIIPET ATLFKSALMP AQLFFKTEDG GKYPVIFKHG DDLRQDQLIL DATA SEQUENCE QIISLMDKLL RKENLDLKLT PYKVLATSTK HGFMQFIQSV PVAEVLDTEG DATA SEQUENCE SIQNFFRKYA PSENGPNGIS AEVMDTYVKS CAGYCVITYI LGVGDRHLDN DATA SEQUENCE LLLTKTGKLF HIDFGYILGR DPKPLPPPMK LNKEMVEGMG GTQSEQYQEF DATA SEQUENCE RKQCYTAFLH LRRYSNLILN LFSLMVDANI PDIALEPDKT VKKVQDKFRL DATA SEQUENCE DLSDEEAVHY MQSLIDESVH ALF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 M HA 0.000 nan 4.480 nan 0.000 0.227 -1 M C 0.000 176.289 176.300 -0.018 0.000 1.140 -1 M CA 0.000 55.292 55.300 -0.012 0.000 0.988 -1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 283 D N -0.670 119.747 120.400 0.027 0.000 2.474 283 D HA 0.273 4.913 4.640 -0.001 0.000 0.213 283 D C 1.118 177.267 176.300 -0.253 0.000 1.120 283 D CA 0.338 54.298 54.000 -0.068 0.000 0.836 283 D CB -0.220 40.578 40.800 -0.003 0.000 1.019 283 D HN 0.578 nan 8.370 nan 0.000 0.507 284 H N 0.997 119.665 119.070 -0.670 0.000 2.289 284 H HA -0.057 4.498 4.556 -0.001 0.000 0.296 284 H C 0.782 175.926 175.328 -0.308 0.000 1.091 284 H CA 1.346 56.894 56.048 -0.834 0.000 1.274 284 H CB -0.023 29.386 29.762 -0.588 0.000 1.364 284 H HN 0.120 nan 8.280 nan 0.000 0.490 285 D N 0.300 120.680 120.400 -0.032 0.000 2.427 285 D HA 0.051 4.690 4.640 -0.001 0.000 0.224 285 D C -0.313 176.009 176.300 0.036 0.000 1.157 285 D CA -0.123 53.878 54.000 0.003 0.000 0.828 285 D CB 0.240 41.028 40.800 -0.020 0.000 0.974 285 D HN 0.080 nan 8.370 nan 0.000 0.498 286 L N 1.712 122.970 121.223 0.059 0.000 2.407 286 L HA 0.104 4.444 4.340 -0.001 0.000 0.282 286 L C 0.367 177.394 176.870 0.261 0.000 1.110 286 L CA 0.379 55.290 54.840 0.118 0.000 0.863 286 L CB 0.105 42.180 42.059 0.026 0.000 1.207 286 L HN -0.302 nan 8.230 nan 0.000 0.454 287 K N 6.175 126.672 120.400 0.162 0.000 2.185 287 K HA 0.488 4.807 4.320 -0.001 0.000 0.269 287 K C -2.216 174.286 176.600 -0.164 0.000 0.987 287 K CA -1.582 54.686 56.287 -0.031 0.000 0.865 287 K CB 1.224 33.682 32.500 -0.070 0.000 1.090 287 K HN 0.361 nan 8.250 nan 0.000 0.450 288 P HA 0.102 nan 4.420 nan 0.000 0.279 288 P C -0.806 176.206 177.300 -0.481 0.000 1.239 288 P CA -0.479 62.063 63.100 -0.931 0.000 0.789 288 P CB 0.672 31.509 31.700 -1.438 0.000 0.933 289 N N 0.436 118.951 118.700 -0.309 0.000 2.371 289 N HA 0.127 4.867 4.740 -0.001 0.000 0.243 289 N C 1.621 177.016 175.510 -0.191 0.000 1.287 289 N CA 0.110 53.048 53.050 -0.186 0.000 0.911 289 N CB 0.176 38.605 38.487 -0.097 0.000 1.142 289 N HN 0.428 nan 8.380 nan 0.000 0.451 290 A N 1.287 124.031 122.820 -0.126 0.000 1.859 290 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 290 A C 2.078 179.607 177.584 -0.092 0.000 1.198 290 A CA 2.544 54.520 52.037 -0.101 0.000 0.629 290 A CB -1.322 17.637 19.000 -0.067 0.000 0.830 290 A HN 0.743 nan 8.150 nan 0.000 0.446 291 A N -1.123 121.654 122.820 -0.072 0.000 1.917 291 A HA -0.162 4.157 4.320 -0.001 0.000 0.219 291 A C 2.319 179.862 177.584 -0.067 0.000 1.182 291 A CA 2.621 54.626 52.037 -0.053 0.000 0.633 291 A CB -1.432 17.549 19.000 -0.032 0.000 0.819 291 A HN 0.506 nan 8.150 nan 0.000 0.448 292 T N -0.589 113.900 114.554 -0.108 0.000 2.737 292 T HA -0.125 4.225 4.350 -0.001 0.000 0.265 292 T C 2.021 176.607 174.700 -0.189 0.000 1.038 292 T CA 1.319 63.329 62.100 -0.151 0.000 1.144 292 T CB -0.261 68.446 68.868 -0.269 0.000 0.866 292 T HN 0.489 nan 8.240 nan 0.000 0.434 293 R N 0.811 121.175 120.500 -0.227 0.000 2.139 293 R HA -0.126 4.213 4.340 -0.001 0.000 0.243 293 R C 2.021 178.279 176.300 -0.069 0.000 1.145 293 R CA 1.543 57.551 56.100 -0.154 0.000 0.976 293 R CB -0.268 29.944 30.300 -0.147 0.000 0.866 293 R HN 0.374 nan 8.270 nan 0.000 0.449 294 D N -0.036 120.325 120.400 -0.066 0.000 2.137 294 D HA -0.094 4.546 4.640 -0.001 0.000 0.202 294 D C 1.989 178.266 176.300 -0.038 0.000 0.970 294 D CA 0.962 54.937 54.000 -0.042 0.000 0.837 294 D CB 0.038 40.817 40.800 -0.035 0.000 0.981 294 D HN 0.218 nan 8.370 nan 0.000 0.475 295 Q N -0.012 119.766 119.800 -0.037 0.000 2.061 295 Q HA -0.107 4.233 4.340 -0.001 0.000 0.204 295 Q C 2.376 178.343 176.000 -0.056 0.000 0.984 295 Q CA 0.844 56.628 55.803 -0.031 0.000 0.846 295 Q CB -0.165 28.570 28.738 -0.005 0.000 0.902 295 Q HN 0.324 nan 8.270 nan 0.000 0.421 296 L N 0.805 122.006 121.223 -0.038 0.000 2.083 296 L HA -0.194 4.146 4.340 -0.001 0.000 0.209 296 L C 1.781 178.624 176.870 -0.044 0.000 1.083 296 L CA 0.756 55.585 54.840 -0.018 0.000 0.752 296 L CB -0.406 41.676 42.059 0.038 0.000 0.899 296 L HN 0.262 nan 8.230 nan 0.000 0.433 297 N N -0.298 118.378 118.700 -0.040 0.000 2.354 297 N HA -0.067 4.673 4.740 -0.001 0.000 0.179 297 N C 1.808 177.274 175.510 -0.074 0.000 1.021 297 N CA 0.829 53.854 53.050 -0.042 0.000 0.887 297 N CB 0.001 38.474 38.487 -0.024 0.000 0.974 297 N HN 0.193 nan 8.380 nan 0.000 0.437 298 I N 0.956 121.470 120.570 -0.093 0.000 2.179 298 I HA -0.196 3.973 4.170 -0.001 0.000 0.242 298 I C 1.967 177.869 176.117 -0.358 0.000 1.088 298 I CA 1.015 62.246 61.300 -0.116 0.000 1.357 298 I CB -0.605 37.356 38.000 -0.065 0.000 1.051 298 I HN 0.073 nan 8.210 nan 0.000 0.409 299 I N 0.254 120.525 120.570 -0.497 0.000 2.179 299 I HA -0.244 3.926 4.170 -0.001 0.000 0.242 299 I C 2.495 178.331 176.117 -0.469 0.000 1.088 299 I CA 1.024 61.809 61.300 -0.858 0.000 1.357 299 I CB -0.362 37.375 38.000 -0.437 0.000 1.051 299 I HN -0.033 nan 8.210 nan 0.000 0.409 300 V N 0.667 120.464 119.914 -0.195 0.000 2.594 300 V HA -0.212 3.908 4.120 -0.001 0.000 0.253 300 V C 2.304 178.373 176.094 -0.041 0.000 1.069 300 V CA 2.018 64.276 62.300 -0.070 0.000 1.082 300 V CB -0.718 31.093 31.823 -0.020 0.000 0.680 300 V HN 0.610 nan 8.190 nan 0.000 0.469 301 S N -1.999 113.670 115.700 -0.051 0.000 2.593 301 S HA 0.090 4.559 4.470 -0.001 0.000 0.217 301 S C 0.589 175.261 174.600 0.121 0.000 0.966 301 S CA -0.291 57.916 58.200 0.012 0.000 0.914 301 S CB -0.380 62.823 63.200 0.005 0.000 0.776 301 S HN 0.417 nan 8.310 nan 0.000 0.523 302 Y N 3.832 124.120 120.300 -0.020 0.000 2.578 302 Y HA 0.322 4.872 4.550 -0.001 0.000 0.339 302 Y C -1.830 174.047 175.900 -0.038 0.000 1.231 302 Y CA -2.870 55.215 58.100 -0.025 0.000 1.461 302 Y CB -0.260 38.191 38.460 -0.016 0.000 1.323 302 Y HN 0.200 nan 8.280 nan 0.000 0.590 303 P HA 0.090 nan 4.420 nan 0.000 0.272 303 P C -2.246 175.064 177.300 0.018 0.000 1.240 303 P CA -1.405 61.702 63.100 0.012 0.000 0.791 303 P CB 0.602 32.284 31.700 -0.031 0.000 0.978 304 P HA -0.108 nan 4.420 nan 0.000 0.221 304 P C 1.521 178.797 177.300 -0.040 0.000 1.150 304 P CA 1.689 64.785 63.100 -0.007 0.000 0.800 304 P CB -0.503 31.192 31.700 -0.008 0.000 0.787 305 T N -3.660 110.870 114.554 -0.041 0.000 2.978 305 T HA -0.017 4.332 4.350 -0.001 0.000 0.262 305 T C 0.972 175.624 174.700 -0.081 0.000 1.063 305 T CA 0.143 62.204 62.100 -0.064 0.000 1.140 305 T CB -0.598 68.256 68.868 -0.024 0.000 0.886 305 T HN -0.026 nan 8.240 nan 0.000 0.470 306 K N 1.788 122.142 120.400 -0.077 0.000 2.448 306 K HA 0.067 4.386 4.320 -0.001 0.000 0.278 306 K C -0.101 176.456 176.600 -0.071 0.000 1.009 306 K CA -0.170 56.047 56.287 -0.117 0.000 0.995 306 K CB 0.396 32.755 32.500 -0.235 0.000 0.917 306 K HN 0.236 nan 8.250 nan 0.000 0.481 307 Q N 2.758 122.511 119.800 -0.079 0.000 2.204 307 Q HA 0.373 4.712 4.340 -0.001 0.000 0.254 307 Q C -0.335 175.659 176.000 -0.009 0.000 0.981 307 Q CA -0.680 55.094 55.803 -0.047 0.000 0.897 307 Q CB 1.344 30.041 28.738 -0.068 0.000 1.273 307 Q HN 0.570 nan 8.270 nan 0.000 0.464 308 L N 0.895 122.127 121.223 0.016 0.000 2.343 308 L HA 0.400 4.740 4.340 -0.001 0.000 0.275 308 L C 0.788 177.639 176.870 -0.032 0.000 1.056 308 L CA -0.795 54.083 54.840 0.064 0.000 0.804 308 L CB 1.214 43.325 42.059 0.086 0.000 1.203 308 L HN 0.668 nan 8.230 nan 0.000 0.440 309 T N -2.293 112.261 114.554 -0.000 0.000 2.899 309 T HA 0.112 4.461 4.350 -0.001 0.000 0.295 309 T C 1.147 175.837 174.700 -0.017 0.000 1.033 309 T CA -0.314 61.742 62.100 -0.073 0.000 1.084 309 T CB 0.539 69.409 68.868 0.003 0.000 0.979 309 T HN 0.344 nan 8.240 nan 0.000 0.532 310 Y N 1.196 121.508 120.300 0.019 0.000 2.173 310 Y HA -0.195 4.354 4.550 -0.001 0.000 0.282 310 Y C 2.586 178.498 175.900 0.021 0.000 1.192 310 Y CA 1.968 60.071 58.100 0.005 0.000 1.176 310 Y CB -0.707 37.748 38.460 -0.008 0.000 0.969 310 Y HN 0.787 nan 8.280 nan 0.000 0.519 311 E N -0.283 120.033 120.200 0.194 0.000 2.072 311 E HA -0.168 4.181 4.350 -0.001 0.000 0.190 311 E C 1.861 178.537 176.600 0.127 0.000 0.982 311 E CA 1.231 57.714 56.400 0.138 0.000 0.803 311 E CB -0.445 29.322 29.700 0.112 0.000 0.755 311 E HN 0.585 nan 8.360 nan 0.000 0.453 312 E N 1.289 121.559 120.200 0.117 0.000 2.153 312 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 312 E C 2.196 178.873 176.600 0.129 0.000 0.988 312 E CA 1.035 57.502 56.400 0.112 0.000 0.811 312 E CB -0.032 29.731 29.700 0.106 0.000 0.746 312 E HN 0.289 nan 8.360 nan 0.000 0.466 313 Q N 0.490 120.367 119.800 0.128 0.000 2.016 313 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 313 Q C 1.826 177.930 176.000 0.173 0.000 0.978 313 Q CA 1.388 57.270 55.803 0.131 0.000 0.833 313 Q CB 0.065 28.866 28.738 0.105 0.000 0.895 313 Q HN 0.210 nan 8.270 nan 0.000 0.427 314 D N 0.483 120.970 120.400 0.146 0.000 2.133 314 D HA -0.182 4.457 4.640 -0.001 0.000 0.195 314 D C 1.818 178.240 176.300 0.203 0.000 0.997 314 D CA 0.886 54.975 54.000 0.149 0.000 0.840 314 D CB -0.190 40.663 40.800 0.089 0.000 0.947 314 D HN 0.095 nan 8.370 nan 0.000 0.452 315 L N 0.472 121.811 121.223 0.194 0.000 2.017 315 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 315 L C 2.325 179.381 176.870 0.310 0.000 1.073 315 L CA 1.223 56.208 54.840 0.242 0.000 0.745 315 L CB -0.422 41.767 42.059 0.216 0.000 0.894 315 L HN -0.112 nan 8.230 nan 0.000 0.432 316 V N -1.184 118.901 119.914 0.285 0.000 2.427 316 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 316 V C 2.152 178.492 176.094 0.409 0.000 1.051 316 V CA 1.904 64.404 62.300 0.334 0.000 1.048 316 V CB -0.833 31.159 31.823 0.282 0.000 0.666 316 V HN 0.679 nan 8.190 nan 0.000 0.456 317 W N 1.282 122.706 121.300 0.206 0.000 2.332 317 W HA -0.244 4.416 4.660 -0.001 0.000 0.321 317 W C 2.552 179.151 176.519 0.134 0.000 1.219 317 W CA 2.427 59.896 57.345 0.207 0.000 1.277 317 W CB -0.396 29.115 29.460 0.084 0.000 1.161 317 W HN 0.189 nan 8.180 nan 0.000 0.476 318 K N -0.097 120.428 120.400 0.209 0.000 2.052 318 K HA -0.257 4.063 4.320 -0.001 0.000 0.215 318 K C 1.418 177.844 176.600 -0.289 0.000 1.053 318 K CA 2.044 58.261 56.287 -0.116 0.000 0.934 318 K CB -0.847 31.455 32.500 -0.330 0.000 0.717 318 K HN 0.071 nan 8.250 nan 0.000 0.450 319 F N 1.443 121.451 119.950 0.097 0.000 2.713 319 F HA 0.193 4.720 4.527 -0.001 0.000 0.294 319 F C 1.599 177.430 175.800 0.051 0.000 1.152 319 F CA -0.310 57.747 58.000 0.095 0.000 1.385 319 F CB 0.096 39.172 39.000 0.126 0.000 0.981 319 F HN 0.090 nan 8.300 nan 0.000 0.514 320 R N -1.067 119.444 120.500 0.019 0.000 2.105 320 R HA -0.222 4.117 4.340 -0.001 0.000 0.239 320 R C 1.153 177.150 176.300 -0.506 0.000 1.135 320 R CA 1.832 57.793 56.100 -0.233 0.000 0.967 320 R CB -1.095 28.886 30.300 -0.532 0.000 0.861 320 R HN 0.276 nan 8.270 nan 0.000 0.442 321 Y N 0.166 120.268 120.300 -0.330 0.000 2.200 321 Y HA -0.206 4.343 4.550 -0.001 0.000 0.290 321 Y C 2.433 178.166 175.900 -0.277 0.000 1.137 321 Y CA 1.545 59.428 58.100 -0.362 0.000 1.163 321 Y CB -0.530 37.771 38.460 -0.266 0.000 0.988 321 Y HN 0.111 nan 8.280 nan 0.000 0.518 322 Y N 0.093 120.367 120.300 -0.043 0.000 2.333 322 Y HA -0.189 4.361 4.550 -0.001 0.000 0.290 322 Y C 1.608 177.395 175.900 -0.189 0.000 1.144 322 Y CA 1.282 59.339 58.100 -0.073 0.000 1.228 322 Y CB -0.474 37.997 38.460 0.018 0.000 0.985 322 Y HN 0.081 nan 8.280 nan 0.000 0.542 323 L N -0.282 120.673 121.223 -0.447 0.000 2.341 323 L HA -0.081 4.259 4.340 -0.001 0.000 0.214 323 L C 2.510 178.874 176.870 -0.844 0.000 1.115 323 L CA 1.107 55.651 54.840 -0.493 0.000 0.820 323 L CB -0.755 41.286 42.059 -0.030 0.000 0.944 323 L HN 0.339 nan 8.230 nan 0.000 0.452 324 T N -2.960 110.737 114.554 -1.428 0.000 2.869 324 T HA -0.257 4.092 4.350 -0.001 0.000 0.270 324 T C 1.563 175.722 174.700 -0.902 0.000 1.082 324 T CA 1.841 62.830 62.100 -1.851 0.000 1.123 324 T CB -0.556 67.550 68.868 -1.270 0.000 0.856 324 T HN 0.275 nan 8.240 nan 0.000 0.499 325 N N 1.400 119.739 118.700 -0.601 0.000 2.223 325 N HA -0.088 4.652 4.740 -0.001 0.000 0.185 325 N C 0.582 175.947 175.510 -0.241 0.000 1.016 325 N CA 0.854 53.687 53.050 -0.362 0.000 0.863 325 N CB -0.232 38.030 38.487 -0.376 0.000 0.983 325 N HN 0.635 nan 8.380 nan 0.000 0.429 326 Q N 0.325 119.990 119.800 -0.226 0.000 2.368 326 Q HA 0.072 4.411 4.340 -0.001 0.000 0.256 326 Q C 0.447 176.551 176.000 0.174 0.000 0.980 326 Q CA -0.477 55.298 55.803 -0.045 0.000 0.887 326 Q CB 1.360 30.061 28.738 -0.061 0.000 1.221 326 Q HN 0.408 nan 8.270 nan 0.000 0.458 327 E N 2.259 122.548 120.200 0.148 0.000 2.268 327 E HA -0.206 4.144 4.350 -0.001 0.000 0.195 327 E C 0.861 177.538 176.600 0.127 0.000 0.995 327 E CA 1.047 57.571 56.400 0.206 0.000 0.836 327 E CB 0.149 29.921 29.700 0.119 0.000 0.763 327 E HN 0.233 nan 8.360 nan 0.000 0.491 328 K N 0.662 121.115 120.400 0.088 0.000 2.487 328 K HA 0.170 4.490 4.320 -0.001 0.000 0.192 328 K C 1.388 178.017 176.600 0.049 0.000 1.027 328 K CA 0.740 57.051 56.287 0.041 0.000 1.054 328 K CB -0.051 32.459 32.500 0.017 0.000 0.824 328 K HN 0.214 nan 8.250 nan 0.000 0.510 329 A N -0.498 122.392 122.820 0.118 0.000 2.288 329 A HA 0.122 4.442 4.320 -0.001 0.000 0.216 329 A C 1.512 179.097 177.584 0.002 0.000 1.199 329 A CA -0.072 52.047 52.037 0.138 0.000 0.891 329 A CB -0.185 18.978 19.000 0.272 0.000 0.923 329 A HN 0.259 nan 8.150 nan 0.000 0.500 330 L N 1.090 122.155 121.223 -0.264 0.000 2.046 330 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 330 L C 2.672 179.305 176.870 -0.396 0.000 1.077 330 L CA 3.012 57.331 54.840 -0.869 0.000 0.747 330 L CB -1.043 40.407 42.059 -1.015 0.000 0.896 330 L HN 0.540 nan 8.230 nan 0.000 0.432 331 T N -3.715 110.723 114.554 -0.194 0.000 2.833 331 T HA -0.155 4.194 4.350 -0.001 0.000 0.269 331 T C 1.916 176.615 174.700 -0.001 0.000 1.054 331 T CA 0.964 63.012 62.100 -0.086 0.000 1.135 331 T CB -0.337 68.502 68.868 -0.048 0.000 0.869 331 T HN 0.212 nan 8.240 nan 0.000 0.466 332 K N 0.665 121.069 120.400 0.006 0.000 2.057 332 K HA 0.070 4.389 4.320 -0.001 0.000 0.206 332 K C 1.886 178.533 176.600 0.078 0.000 1.050 332 K CA 0.912 57.234 56.287 0.057 0.000 0.935 332 K CB -0.989 31.551 32.500 0.067 0.000 0.715 332 K HN 0.494 nan 8.250 nan 0.000 0.439 333 F N 2.350 122.246 119.950 -0.091 0.000 2.069 333 F HA -0.169 4.358 4.527 -0.001 0.000 0.298 333 F C 1.966 177.761 175.800 -0.009 0.000 1.113 333 F CA 1.336 59.287 58.000 -0.081 0.000 1.214 333 F CB -0.439 38.345 39.000 -0.360 0.000 0.978 333 F HN -0.127 nan 8.300 nan 0.000 0.474 334 L N 0.133 121.280 121.223 -0.128 0.000 2.127 334 L HA -0.238 4.101 4.340 -0.001 0.000 0.211 334 L C 2.415 179.414 176.870 0.216 0.000 1.089 334 L CA 1.442 56.316 54.840 0.057 0.000 0.757 334 L CB -0.761 41.407 42.059 0.182 0.000 0.899 334 L HN 0.160 nan 8.230 nan 0.000 0.434 335 K N -0.638 119.841 120.400 0.131 0.000 2.211 335 K HA -0.126 4.194 4.320 -0.001 0.000 0.203 335 K C 2.097 178.687 176.600 -0.017 0.000 1.050 335 K CA 1.218 57.559 56.287 0.091 0.000 0.945 335 K CB -0.136 32.398 32.500 0.057 0.000 0.732 335 K HN 0.422 nan 8.250 nan 0.000 0.451 336 C N 0.574 119.809 119.300 -0.109 0.000 2.467 336 C HA 0.045 4.504 4.460 -0.001 0.000 0.279 336 C C 1.106 175.935 174.990 -0.267 0.000 1.347 336 C CA -0.489 58.453 59.018 -0.126 0.000 1.748 336 C CB -0.214 27.500 27.740 -0.042 0.000 1.977 336 C HN 0.042 nan 8.230 nan 0.000 0.501 337 V N 3.565 123.192 119.914 -0.478 0.000 2.585 337 V HA 0.049 4.169 4.120 -0.001 0.000 0.296 337 V C 0.385 176.046 176.094 -0.722 0.000 1.035 337 V CA 0.258 62.089 62.300 -0.781 0.000 1.084 337 V CB 0.064 31.008 31.823 -1.465 0.000 0.953 337 V HN 0.494 nan 8.190 nan 0.000 0.483 338 N N 4.009 122.383 118.700 -0.544 0.000 2.402 338 N HA 0.073 4.813 4.740 -0.001 0.000 0.252 338 N C 0.362 175.673 175.510 -0.331 0.000 1.118 338 N CA -0.103 52.747 53.050 -0.333 0.000 0.945 338 N CB 0.447 38.797 38.487 -0.228 0.000 1.147 338 N HN 0.707 nan 8.380 nan 0.000 0.495 339 W N 1.559 122.831 121.300 -0.047 0.000 2.678 339 W HA 0.081 4.741 4.660 -0.001 0.000 0.256 339 W C 1.004 177.512 176.519 -0.018 0.000 1.280 339 W CA -0.340 56.994 57.345 -0.018 0.000 1.345 339 W CB 0.459 29.918 29.460 -0.001 0.000 1.118 339 W HN 0.434 nan 8.180 nan 0.000 0.629 340 D N 0.241 120.726 120.400 0.143 0.000 2.325 340 D HA 0.121 4.760 4.640 -0.001 0.000 0.234 340 D C -0.328 175.988 176.300 0.026 0.000 1.122 340 D CA 0.484 54.531 54.000 0.079 0.000 0.850 340 D CB -0.051 40.778 40.800 0.049 0.000 0.921 340 D HN 0.025 nan 8.370 nan 0.000 0.513 341 L N 0.385 121.609 121.223 0.001 0.000 2.427 341 L HA 0.300 4.639 4.340 -0.001 0.000 0.264 341 L C -1.962 174.901 176.870 -0.012 0.000 0.989 341 L CA -1.997 52.825 54.840 -0.031 0.000 0.865 341 L CB 2.263 44.268 42.059 -0.091 0.000 1.209 341 L HN -0.259 nan 8.230 nan 0.000 0.430 342 P HA -0.196 nan 4.420 nan 0.000 0.217 342 P C 1.017 178.344 177.300 0.044 0.000 1.148 342 P CA 1.018 64.144 63.100 0.044 0.000 0.828 342 P CB 0.301 32.024 31.700 0.038 0.000 0.783 343 Q N -0.124 119.689 119.800 0.022 0.000 2.046 343 Q HA -0.176 4.163 4.340 -0.001 0.000 0.200 343 Q C 2.041 178.076 176.000 0.058 0.000 0.975 343 Q CA 1.791 57.616 55.803 0.037 0.000 0.836 343 Q CB -0.566 28.184 28.738 0.020 0.000 0.896 343 Q HN 0.573 nan 8.270 nan 0.000 0.428 344 E N -0.792 119.412 120.200 0.006 0.000 2.385 344 E HA 0.159 4.508 4.350 -0.001 0.000 0.194 344 E C 1.833 178.430 176.600 -0.004 0.000 1.013 344 E CA 0.601 57.022 56.400 0.035 0.000 0.866 344 E CB -0.110 29.483 29.700 -0.178 0.000 0.832 344 E HN 0.157 nan 8.360 nan 0.000 0.500 345 A N 2.361 125.166 122.820 -0.025 0.000 1.883 345 A HA -0.268 4.052 4.320 -0.001 0.000 0.217 345 A C 2.255 179.947 177.584 0.179 0.000 1.186 345 A CA 2.116 54.209 52.037 0.093 0.000 0.624 345 A CB -0.504 18.634 19.000 0.230 0.000 0.822 345 A HN 0.152 nan 8.150 nan 0.000 0.444 346 K N 0.488 120.973 120.400 0.142 0.000 2.032 346 K HA -0.219 4.100 4.320 -0.001 0.000 0.209 346 K C 2.147 178.835 176.600 0.146 0.000 1.048 346 K CA 2.343 58.712 56.287 0.138 0.000 0.927 346 K CB -0.459 32.105 32.500 0.106 0.000 0.712 346 K HN 0.753 nan 8.250 nan 0.000 0.441 347 Q N -1.236 118.661 119.800 0.162 0.000 2.424 347 Q HA 0.239 4.578 4.340 -0.001 0.000 0.204 347 Q C 1.879 177.977 176.000 0.164 0.000 0.933 347 Q CA 0.658 56.553 55.803 0.154 0.000 0.929 347 Q CB -0.008 28.831 28.738 0.168 0.000 1.037 347 Q HN 0.246 nan 8.270 nan 0.000 0.511 348 A N 2.252 125.214 122.820 0.235 0.000 1.858 348 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 348 A C 2.168 179.941 177.584 0.314 0.000 1.190 348 A CA 1.156 53.385 52.037 0.321 0.000 0.617 348 A CB -0.763 18.246 19.000 0.015 0.000 0.827 348 A HN 0.371 nan 8.150 nan 0.000 0.443 349 L N -0.658 120.733 121.223 0.279 0.000 2.127 349 L HA -0.222 4.118 4.340 -0.001 0.000 0.211 349 L C 2.606 179.545 176.870 0.115 0.000 1.089 349 L CA 1.630 56.592 54.840 0.203 0.000 0.757 349 L CB -0.801 41.373 42.059 0.191 0.000 0.899 349 L HN 0.527 nan 8.230 nan 0.000 0.434 350 E N 0.280 120.540 120.200 0.100 0.000 2.051 350 E HA -0.227 4.122 4.350 -0.001 0.000 0.192 350 E C 2.357 178.955 176.600 -0.003 0.000 0.991 350 E CA 1.125 57.554 56.400 0.048 0.000 0.799 350 E CB -0.120 29.605 29.700 0.043 0.000 0.748 350 E HN 0.410 nan 8.360 nan 0.000 0.449 351 L N 0.638 121.838 121.223 -0.038 0.000 2.093 351 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 351 L C 2.487 179.383 176.870 0.043 0.000 1.085 351 L CA 0.429 55.191 54.840 -0.130 0.000 0.755 351 L CB -0.294 41.540 42.059 -0.376 0.000 0.904 351 L HN 0.176 nan 8.230 nan 0.000 0.435 352 L N 0.076 121.328 121.223 0.050 0.000 2.021 352 L HA -0.207 4.133 4.340 -0.001 0.000 0.215 352 L C 2.299 179.131 176.870 -0.063 0.000 1.074 352 L CA 2.390 57.176 54.840 -0.090 0.000 0.760 352 L CB -1.277 40.684 42.059 -0.164 0.000 0.889 352 L HN 0.218 nan 8.230 nan 0.000 0.433 353 G N -1.642 107.158 108.800 0.001 0.000 2.422 353 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 353 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 353 G C 1.617 176.549 174.900 0.053 0.000 1.140 353 G CA 1.021 46.149 45.100 0.047 0.000 0.775 353 G HN 0.567 nan 8.290 nan 0.000 0.545 354 K N -0.358 120.053 120.400 0.018 0.000 2.400 354 K HA 0.159 4.479 4.320 -0.001 0.000 0.194 354 K C 0.826 177.408 176.600 -0.030 0.000 1.033 354 K CA -0.336 55.937 56.287 -0.024 0.000 1.021 354 K CB -0.430 32.016 32.500 -0.090 0.000 0.808 354 K HN 0.365 nan 8.250 nan 0.000 0.505 355 W N 2.505 123.712 121.300 -0.156 0.000 2.190 355 W HA 0.193 4.853 4.660 -0.001 0.000 0.330 355 W C -0.075 176.399 176.519 -0.075 0.000 1.299 355 W CA -0.330 56.918 57.345 -0.161 0.000 1.215 355 W CB 0.632 29.968 29.460 -0.206 0.000 1.147 355 W HN 0.049 nan 8.180 nan 0.000 0.563 356 K N 5.035 125.504 120.400 0.115 0.000 2.504 356 K HA -0.060 4.260 4.320 -0.001 0.000 0.278 356 K C -2.131 174.631 176.600 0.269 0.000 1.025 356 K CA -0.634 55.744 56.287 0.151 0.000 1.093 356 K CB -0.032 32.523 32.500 0.092 0.000 0.873 356 K HN 0.103 nan 8.250 nan 0.000 0.483 357 P HA 0.107 nan 4.420 nan 0.000 0.285 357 P C -0.172 177.216 177.300 0.146 0.000 1.259 357 P CA -0.402 62.833 63.100 0.224 0.000 0.794 357 P CB 0.543 32.324 31.700 0.136 0.000 0.940 358 M N 0.582 120.276 119.600 0.158 0.000 2.241 358 M HA 0.330 4.809 4.480 -0.001 0.000 0.335 358 M C -0.293 176.019 176.300 0.020 0.000 1.122 358 M CA -0.060 55.286 55.300 0.077 0.000 1.164 358 M CB 0.057 32.695 32.600 0.064 0.000 1.459 358 M HN 0.096 nan 8.290 nan 0.000 0.461 359 D N 1.993 122.401 120.400 0.012 0.000 2.449 359 D HA -0.007 4.633 4.640 -0.001 0.000 0.236 359 D C 1.294 177.581 176.300 -0.022 0.000 1.149 359 D CA -0.129 53.871 54.000 0.001 0.000 0.878 359 D CB 1.091 41.896 40.800 0.009 0.000 1.198 359 D HN 0.549 nan 8.370 nan 0.000 0.446 360 V N 2.207 122.110 119.914 -0.018 0.000 2.324 360 V HA -0.271 3.849 4.120 -0.001 0.000 0.250 360 V C 2.315 178.363 176.094 -0.077 0.000 1.060 360 V CA 2.005 64.283 62.300 -0.037 0.000 1.042 360 V CB -0.509 31.328 31.823 0.024 0.000 0.650 360 V HN 0.616 nan 8.190 nan 0.000 0.450 361 E N 0.340 120.506 120.200 -0.058 0.000 2.268 361 E HA -0.222 4.128 4.350 -0.001 0.000 0.195 361 E C 1.208 177.741 176.600 -0.111 0.000 0.995 361 E CA 1.487 57.816 56.400 -0.119 0.000 0.836 361 E CB -0.506 29.180 29.700 -0.024 0.000 0.763 361 E HN 0.668 nan 8.360 nan 0.000 0.491 362 D N 1.075 121.432 120.400 -0.073 0.000 2.348 362 D HA -0.052 4.588 4.640 -0.001 0.000 0.211 362 D C 1.767 178.019 176.300 -0.079 0.000 0.998 362 D CA 1.052 55.014 54.000 -0.063 0.000 0.873 362 D CB 0.066 40.840 40.800 -0.042 0.000 0.925 362 D HN 0.266 nan 8.370 nan 0.000 0.524 363 S N 0.182 115.823 115.700 -0.097 0.000 2.453 363 S HA -0.049 4.421 4.470 -0.001 0.000 0.231 363 S C 1.942 176.474 174.600 -0.114 0.000 1.005 363 S CA 0.244 58.378 58.200 -0.110 0.000 0.949 363 S CB -0.523 62.593 63.200 -0.140 0.000 0.774 363 S HN 0.220 nan 8.310 nan 0.000 0.510 364 L N 1.604 122.753 121.223 -0.124 0.000 2.042 364 L HA -0.141 4.198 4.340 -0.001 0.000 0.210 364 L C 2.995 179.843 176.870 -0.037 0.000 1.076 364 L CA 2.043 56.822 54.840 -0.101 0.000 0.749 364 L CB -0.657 41.310 42.059 -0.155 0.000 0.893 364 L HN 0.499 nan 8.230 nan 0.000 0.432 365 E N 0.453 120.632 120.200 -0.035 0.000 2.153 365 E HA -0.247 4.103 4.350 -0.001 0.000 0.194 365 E C 2.086 178.721 176.600 0.057 0.000 0.988 365 E CA 1.094 57.508 56.400 0.023 0.000 0.811 365 E CB 0.053 29.763 29.700 0.016 0.000 0.746 365 E HN 0.296 nan 8.360 nan 0.000 0.466 366 L N 0.568 121.726 121.223 -0.109 0.000 2.376 366 L HA -0.028 4.312 4.340 -0.001 0.000 0.219 366 L C 1.921 178.739 176.870 -0.087 0.000 1.133 366 L CA 1.047 55.684 54.840 -0.338 0.000 0.816 366 L CB -0.166 41.639 42.059 -0.423 0.000 0.933 366 L HN 0.244 nan 8.230 nan 0.000 0.449 367 L N -1.366 119.861 121.223 0.006 0.000 2.592 367 L HA 0.103 4.442 4.340 -0.001 0.000 0.227 367 L C 1.466 178.433 176.870 0.162 0.000 1.127 367 L CA -0.206 54.681 54.840 0.078 0.000 0.884 367 L CB -0.301 41.797 42.059 0.064 0.000 1.065 367 L HN 0.268 nan 8.230 nan 0.000 0.457 368 S N -1.134 114.639 115.700 0.120 0.000 2.625 368 S HA 0.017 4.487 4.470 -0.001 0.000 0.258 368 S C 1.542 175.910 174.600 -0.388 0.000 1.256 368 S CA 0.011 58.184 58.200 -0.045 0.000 0.983 368 S CB 0.782 64.030 63.200 0.080 0.000 1.032 368 S HN 0.255 nan 8.310 nan 0.000 0.572 369 S N -0.522 114.643 115.700 -0.892 0.000 2.453 369 S HA -0.106 4.363 4.470 -0.001 0.000 0.231 369 S C 1.503 175.857 174.600 -0.410 0.000 1.005 369 S CA 0.578 58.256 58.200 -0.869 0.000 0.949 369 S CB -1.074 61.583 63.200 -0.904 0.000 0.774 369 S HN 0.766 nan 8.310 nan 0.000 0.510 370 H N 0.074 118.956 119.070 -0.314 0.000 2.543 370 H HA 0.075 4.630 4.556 -0.001 0.000 0.286 370 H C -0.472 174.530 175.328 -0.543 0.000 1.037 370 H CA 0.965 56.777 56.048 -0.392 0.000 1.250 370 H CB -0.084 29.403 29.762 -0.458 0.000 1.373 370 H HN 0.532 nan 8.280 nan 0.000 0.580 371 Y N -0.342 119.908 120.300 -0.083 0.000 2.391 371 Y HA 0.150 4.700 4.550 -0.001 0.000 0.341 371 Y C 1.124 176.914 175.900 -0.182 0.000 0.965 371 Y CA -0.599 57.393 58.100 -0.180 0.000 1.067 371 Y CB 1.957 40.291 38.460 -0.211 0.000 1.199 371 Y HN -0.096 nan 8.280 nan 0.000 0.450 372 T N -2.488 112.012 114.554 -0.090 0.000 3.004 372 T HA 0.096 4.446 4.350 -0.001 0.000 0.266 372 T C 0.223 174.848 174.700 -0.126 0.000 0.986 372 T CA -0.295 61.754 62.100 -0.085 0.000 0.902 372 T CB 0.003 68.826 68.868 -0.077 0.000 1.118 372 T HN 0.508 nan 8.240 nan 0.000 0.522 373 N N 3.113 121.663 118.700 -0.251 0.000 2.438 373 N HA 0.106 4.846 4.740 -0.001 0.000 0.267 373 N C -1.787 173.612 175.510 -0.186 0.000 1.222 373 N CA -1.193 51.688 53.050 -0.281 0.000 0.930 373 N CB 1.574 39.691 38.487 -0.616 0.000 1.083 373 N HN 0.058 nan 8.380 nan 0.000 0.476 374 P HA -0.138 nan 4.420 nan 0.000 0.216 374 P C 1.041 178.308 177.300 -0.055 0.000 1.157 374 P CA 1.725 64.793 63.100 -0.054 0.000 0.880 374 P CB 0.196 31.883 31.700 -0.022 0.000 0.791 375 T N -1.243 113.276 114.554 -0.057 0.000 2.821 375 T HA -0.067 4.283 4.350 -0.001 0.000 0.267 375 T C 1.805 176.482 174.700 -0.038 0.000 1.046 375 T CA 1.037 63.124 62.100 -0.021 0.000 1.139 375 T CB -0.846 68.029 68.868 0.012 0.000 0.871 375 T HN -0.095 nan 8.240 nan 0.000 0.454 376 V N 1.627 121.454 119.914 -0.146 0.000 2.307 376 V HA -0.134 3.986 4.120 -0.001 0.000 0.245 376 V C 2.597 178.617 176.094 -0.123 0.000 1.045 376 V CA 1.490 63.676 62.300 -0.190 0.000 1.024 376 V CB -0.540 31.026 31.823 -0.430 0.000 0.651 376 V HN 0.380 nan 8.190 nan 0.000 0.449 377 R N -0.204 120.220 120.500 -0.127 0.000 2.105 377 R HA -0.191 4.148 4.340 -0.001 0.000 0.239 377 R C 2.507 178.771 176.300 -0.060 0.000 1.135 377 R CA 1.681 57.733 56.100 -0.080 0.000 0.967 377 R CB -0.372 29.902 30.300 -0.042 0.000 0.861 377 R HN 0.395 nan 8.270 nan 0.000 0.442 378 R N -0.234 120.243 120.500 -0.039 0.000 2.066 378 R HA -0.167 4.173 4.340 -0.001 0.000 0.232 378 R C 2.124 178.395 176.300 -0.048 0.000 1.131 378 R CA 1.472 57.550 56.100 -0.037 0.000 0.955 378 R CB -0.443 29.852 30.300 -0.008 0.000 0.851 378 R HN 0.203 nan 8.270 nan 0.000 0.432 379 Y N 0.795 121.027 120.300 -0.113 0.000 2.069 379 Y HA -0.356 4.193 4.550 -0.001 0.000 0.278 379 Y C 2.083 177.896 175.900 -0.145 0.000 1.175 379 Y CA 1.868 59.899 58.100 -0.114 0.000 1.134 379 Y CB -0.729 37.664 38.460 -0.112 0.000 0.965 379 Y HN 0.172 nan 8.280 nan 0.000 0.498 380 A N -0.438 122.322 122.820 -0.099 0.000 1.884 380 A HA -0.273 4.046 4.320 -0.001 0.000 0.219 380 A C 2.348 179.760 177.584 -0.287 0.000 1.197 380 A CA 2.777 54.701 52.037 -0.188 0.000 0.637 380 A CB -1.514 17.409 19.000 -0.128 0.000 0.827 380 A HN 0.391 nan 8.150 nan 0.000 0.450 381 V N -0.399 119.349 119.914 -0.276 0.000 2.515 381 V HA -0.200 3.919 4.120 -0.001 0.000 0.250 381 V C 2.972 178.757 176.094 -0.516 0.000 1.058 381 V CA 1.768 63.813 62.300 -0.426 0.000 1.064 381 V CB -1.196 30.438 31.823 -0.315 0.000 0.675 381 V HN 0.656 nan 8.190 nan 0.000 0.461 382 A N 0.060 122.651 122.820 -0.381 0.000 1.930 382 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 382 A C 2.382 179.750 177.584 -0.361 0.000 1.175 382 A CA 1.273 53.104 52.037 -0.344 0.000 0.627 382 A CB -0.356 18.456 19.000 -0.313 0.000 0.815 382 A HN 0.421 nan 8.150 nan 0.000 0.443 383 R N -0.367 119.873 120.500 -0.434 0.000 2.075 383 R HA 0.032 4.371 4.340 -0.001 0.000 0.232 383 R C 2.064 178.224 176.300 -0.233 0.000 1.126 383 R CA 0.949 56.849 56.100 -0.334 0.000 0.963 383 R CB -1.005 29.085 30.300 -0.349 0.000 0.858 383 R HN 0.543 nan 8.270 nan 0.000 0.435 384 L N 0.621 121.667 121.223 -0.296 0.000 2.127 384 L HA -0.159 4.181 4.340 -0.001 0.000 0.211 384 L C 2.655 179.418 176.870 -0.178 0.000 1.089 384 L CA 1.223 55.915 54.840 -0.246 0.000 0.757 384 L CB -0.360 41.449 42.059 -0.417 0.000 0.899 384 L HN 0.176 nan 8.230 nan 0.000 0.434 385 R N -0.308 120.004 120.500 -0.314 0.000 2.211 385 R HA -0.175 4.164 4.340 -0.001 0.000 0.240 385 R C 1.876 178.202 176.300 0.044 0.000 1.144 385 R CA 0.898 56.982 56.100 -0.027 0.000 0.992 385 R CB -0.020 30.247 30.300 -0.055 0.000 0.869 385 R HN 0.485 nan 8.270 nan 0.000 0.462 386 Q N -0.810 118.984 119.800 -0.010 0.000 2.444 386 Q HA 0.143 4.483 4.340 -0.001 0.000 0.206 386 Q C 0.198 176.225 176.000 0.046 0.000 0.948 386 Q CA 0.282 56.090 55.803 0.009 0.000 0.946 386 Q CB 0.591 29.315 28.738 -0.022 0.000 1.027 386 Q HN 0.159 nan 8.270 nan 0.000 0.513 387 A N 2.502 125.373 122.820 0.086 0.000 2.309 387 A HA 0.329 4.649 4.320 -0.001 0.000 0.298 387 A C -0.248 177.389 177.584 0.089 0.000 1.165 387 A CA -0.761 51.341 52.037 0.109 0.000 0.821 387 A CB 0.342 19.450 19.000 0.181 0.000 1.102 387 A HN 0.181 nan 8.150 nan 0.000 0.500 388 D N 1.413 121.844 120.400 0.052 0.000 2.371 388 D HA 0.068 4.708 4.640 -0.001 0.000 0.242 388 D C 0.193 176.498 176.300 0.010 0.000 1.218 388 D CA -0.379 53.637 54.000 0.027 0.000 0.945 388 D CB 0.449 41.254 40.800 0.009 0.000 1.137 388 D HN 0.408 nan 8.370 nan 0.000 0.464 389 D N -0.399 119.999 120.400 -0.004 0.000 2.149 389 D HA -0.200 4.439 4.640 -0.001 0.000 0.198 389 D C 1.575 177.843 176.300 -0.053 0.000 0.990 389 D CA 1.302 55.288 54.000 -0.023 0.000 0.839 389 D CB -0.094 40.694 40.800 -0.021 0.000 0.948 389 D HN 0.790 nan 8.370 nan 0.000 0.460 390 E N 0.818 120.985 120.200 -0.056 0.000 2.023 390 E HA -0.211 4.138 4.350 -0.001 0.000 0.196 390 E C 1.388 177.896 176.600 -0.155 0.000 1.003 390 E CA 1.516 57.864 56.400 -0.086 0.000 0.809 390 E CB 0.132 29.792 29.700 -0.067 0.000 0.755 390 E HN 0.048 nan 8.360 nan 0.000 0.449 391 D N 0.482 120.787 120.400 -0.158 0.000 2.097 391 D HA -0.163 4.477 4.640 -0.001 0.000 0.195 391 D C 2.021 178.016 176.300 -0.509 0.000 0.989 391 D CA 0.740 54.553 54.000 -0.310 0.000 0.827 391 D CB -0.425 40.290 40.800 -0.141 0.000 0.966 391 D HN 0.195 nan 8.370 nan 0.000 0.456 392 L N 0.801 121.904 121.223 -0.200 0.000 2.042 392 L HA -0.141 4.199 4.340 -0.001 0.000 0.210 392 L C 2.133 178.927 176.870 -0.126 0.000 1.076 392 L CA 1.290 56.093 54.840 -0.062 0.000 0.749 392 L CB -0.915 41.175 42.059 0.052 0.000 0.893 392 L HN 0.019 nan 8.230 nan 0.000 0.432 393 L N -0.496 120.638 121.223 -0.149 0.000 2.043 393 L HA -0.258 4.082 4.340 -0.001 0.000 0.212 393 L C 2.444 179.186 176.870 -0.213 0.000 1.075 393 L CA 2.114 56.865 54.840 -0.148 0.000 0.752 393 L CB -0.589 41.379 42.059 -0.151 0.000 0.891 393 L HN 0.361 nan 8.230 nan 0.000 0.432 394 M N -1.933 117.454 119.600 -0.355 0.000 2.260 394 M HA -0.244 4.236 4.480 -0.001 0.000 0.261 394 M C 1.323 177.496 176.300 -0.212 0.000 1.066 394 M CA 1.641 56.726 55.300 -0.358 0.000 1.082 394 M CB -0.519 31.783 32.600 -0.496 0.000 1.388 394 M HN 0.274 nan 8.290 nan 0.000 0.419 395 Y N -1.522 118.762 120.300 -0.026 0.000 2.467 395 Y HA 0.160 4.710 4.550 -0.001 0.000 0.250 395 Y C 1.697 177.598 175.900 0.002 0.000 1.155 395 Y CA -0.580 57.511 58.100 -0.016 0.000 1.249 395 Y CB -0.629 37.838 38.460 0.012 0.000 1.146 395 Y HN 0.029 nan 8.280 nan 0.000 0.524 396 L N 0.403 121.706 121.223 0.133 0.000 2.012 396 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 396 L C 2.295 179.241 176.870 0.127 0.000 1.073 396 L CA 1.440 56.381 54.840 0.169 0.000 0.748 396 L CB -1.071 41.116 42.059 0.214 0.000 0.891 396 L HN 0.306 nan 8.230 nan 0.000 0.431 397 L N -0.660 120.552 121.223 -0.018 0.000 1.997 397 L HA -0.321 4.019 4.340 -0.001 0.000 0.216 397 L C 2.489 179.261 176.870 -0.164 0.000 1.074 397 L CA 2.008 56.628 54.840 -0.367 0.000 0.763 397 L CB -0.802 40.980 42.059 -0.462 0.000 0.890 397 L HN 0.372 nan 8.230 nan 0.000 0.434 398 Q N -0.752 119.008 119.800 -0.066 0.000 2.084 398 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 398 Q C 2.226 178.257 176.000 0.052 0.000 0.978 398 Q CA 1.884 57.680 55.803 -0.011 0.000 0.844 398 Q CB -0.418 28.324 28.738 0.006 0.000 0.898 398 Q HN 0.550 nan 8.270 nan 0.000 0.426 399 L N -0.708 120.567 121.223 0.086 0.000 2.083 399 L HA -0.168 4.172 4.340 -0.001 0.000 0.209 399 L C 2.079 179.015 176.870 0.110 0.000 1.083 399 L CA 0.678 55.587 54.840 0.115 0.000 0.752 399 L CB -0.464 41.687 42.059 0.153 0.000 0.899 399 L HN 0.110 nan 8.230 nan 0.000 0.433 400 V N -0.739 119.238 119.914 0.105 0.000 2.427 400 V HA -0.243 3.877 4.120 -0.001 0.000 0.248 400 V C 2.521 178.709 176.094 0.156 0.000 1.051 400 V CA 1.388 63.772 62.300 0.141 0.000 1.048 400 V CB -0.458 31.450 31.823 0.142 0.000 0.666 400 V HN 0.478 nan 8.190 nan 0.000 0.456 401 Q N -0.100 119.746 119.800 0.077 0.000 2.167 401 Q HA -0.048 4.292 4.340 -0.001 0.000 0.202 401 Q C 2.369 178.358 176.000 -0.019 0.000 0.970 401 Q CA 1.634 57.475 55.803 0.064 0.000 0.855 401 Q CB -0.519 28.244 28.738 0.040 0.000 0.911 401 Q HN 0.654 nan 8.270 nan 0.000 0.438 402 A N 0.592 123.438 122.820 0.043 0.000 2.119 402 A HA -0.052 4.267 4.320 -0.001 0.000 0.217 402 A C 2.162 179.710 177.584 -0.059 0.000 1.153 402 A CA 0.415 52.492 52.037 0.067 0.000 0.692 402 A CB -0.543 18.574 19.000 0.196 0.000 0.799 402 A HN 0.292 nan 8.150 nan 0.000 0.458 403 L N -0.451 120.745 121.223 -0.045 0.000 2.129 403 L HA -0.252 4.087 4.340 -0.001 0.000 0.212 403 L C 2.341 179.106 176.870 -0.175 0.000 1.087 403 L CA 1.683 56.463 54.840 -0.099 0.000 0.757 403 L CB -0.439 41.530 42.059 -0.150 0.000 0.896 403 L HN 0.340 nan 8.230 nan 0.000 0.434 404 K N -0.632 119.572 120.400 -0.327 0.000 2.286 404 K HA -0.189 4.130 4.320 -0.001 0.000 0.203 404 K C 0.896 177.322 176.600 -0.290 0.000 1.045 404 K CA 1.282 57.381 56.287 -0.313 0.000 0.935 404 K CB -0.112 32.056 32.500 -0.553 0.000 0.737 404 K HN 0.346 nan 8.250 nan 0.000 0.460 405 Y N 0.573 120.945 120.300 0.121 0.000 2.607 405 Y HA 0.238 4.788 4.550 -0.001 0.000 0.266 405 Y C 0.550 176.466 175.900 0.027 0.000 1.178 405 Y CA -0.513 57.610 58.100 0.037 0.000 1.226 405 Y CB 0.043 38.521 38.460 0.030 0.000 1.144 405 Y HN -0.121 nan 8.280 nan 0.000 0.528 406 E N 0.709 121.006 120.200 0.162 0.000 2.561 406 E HA 0.088 4.437 4.350 -0.001 0.000 0.254 406 E C -0.332 176.340 176.600 0.119 0.000 1.213 406 E CA -0.613 55.867 56.400 0.133 0.000 0.995 406 E CB 0.690 30.463 29.700 0.122 0.000 1.233 406 E HN 0.057 nan 8.360 nan 0.000 0.556 407 N N 1.470 120.233 118.700 0.104 0.000 2.406 407 N HA 0.009 4.749 4.740 -0.001 0.000 0.251 407 N C 0.428 176.075 175.510 0.228 0.000 1.069 407 N CA -0.035 53.063 53.050 0.080 0.000 0.947 407 N CB 0.157 38.666 38.487 0.038 0.000 1.111 407 N HN 0.191 nan 8.380 nan 0.000 0.497 408 F N 2.355 122.279 119.950 -0.043 0.000 2.171 408 F HA -0.085 4.442 4.527 -0.001 0.000 0.300 408 F C 1.731 177.509 175.800 -0.037 0.000 1.090 408 F CA 0.637 58.603 58.000 -0.056 0.000 1.293 408 F CB -0.572 38.394 39.000 -0.057 0.000 1.013 408 F HN 0.464 nan 8.300 nan 0.000 0.486 409 D N 0.091 120.588 120.400 0.163 0.000 2.117 409 D HA -0.152 4.487 4.640 -0.001 0.000 0.197 409 D C 1.834 178.171 176.300 0.060 0.000 0.987 409 D CA 1.395 55.446 54.000 0.085 0.000 0.829 409 D CB -0.285 40.549 40.800 0.056 0.000 0.961 409 D HN 0.110 nan 8.370 nan 0.000 0.460 410 D N -0.110 120.327 120.400 0.063 0.000 2.117 410 D HA -0.092 4.548 4.640 -0.001 0.000 0.197 410 D C 2.165 178.487 176.300 0.036 0.000 0.987 410 D CA 0.507 54.533 54.000 0.044 0.000 0.829 410 D CB -0.230 40.596 40.800 0.043 0.000 0.961 410 D HN 0.251 nan 8.370 nan 0.000 0.460 411 I N 0.730 121.324 120.570 0.040 0.000 2.142 411 I HA -0.252 3.917 4.170 -0.001 0.000 0.240 411 I C 2.473 178.585 176.117 -0.009 0.000 1.078 411 I CA 1.055 62.356 61.300 0.001 0.000 1.343 411 I CB -0.155 37.816 38.000 -0.047 0.000 1.046 411 I HN -0.049 nan 8.210 nan 0.000 0.405 412 K N 0.892 121.290 120.400 -0.004 0.000 2.044 412 K HA -0.237 4.082 4.320 -0.001 0.000 0.210 412 K C 1.725 178.328 176.600 0.005 0.000 1.049 412 K CA 1.871 58.155 56.287 -0.005 0.000 0.927 412 K CB -0.138 32.367 32.500 0.009 0.000 0.713 412 K HN 0.328 nan 8.250 nan 0.000 0.443 413 N N -0.038 118.671 118.700 0.015 0.000 2.459 413 N HA -0.064 4.675 4.740 -0.001 0.000 0.181 413 N C 1.627 177.146 175.510 0.015 0.000 1.046 413 N CA 0.911 53.971 53.050 0.016 0.000 0.904 413 N CB -0.221 38.278 38.487 0.020 0.000 0.964 413 N HN 0.350 nan 8.380 nan 0.000 0.444 414 G N 0.610 109.419 108.800 0.015 0.000 2.498 414 G HA2 0.020 3.979 3.960 -0.001 0.000 0.219 414 G HA3 0.020 3.979 3.960 -0.001 0.000 0.219 414 G C 0.595 175.504 174.900 0.015 0.000 1.119 414 G CA 0.365 45.475 45.100 0.016 0.000 0.766 414 G HN 0.320 nan 8.290 nan 0.000 0.552 473 Q N 2.697 122.509 119.800 0.020 0.000 2.304 473 Q HA 0.205 4.545 4.340 -0.001 0.000 0.260 473 Q C -0.709 175.306 176.000 0.024 0.000 0.965 473 Q CA -0.003 55.826 55.803 0.044 0.000 0.898 473 Q CB 0.934 29.729 28.738 0.094 0.000 1.196 473 Q HN 0.269 nan 8.270 nan 0.000 0.402 474 D N 1.373 121.798 120.400 0.042 0.000 2.423 474 D HA -0.025 4.614 4.640 -0.001 0.000 0.255 474 D C 0.753 177.101 176.300 0.081 0.000 1.174 474 D CA -0.708 53.315 54.000 0.038 0.000 1.008 474 D CB 0.738 41.560 40.800 0.036 0.000 1.101 474 D HN 0.348 nan 8.370 nan 0.000 0.516 475 L N 0.590 121.860 121.223 0.078 0.000 2.043 475 L HA -0.162 4.178 4.340 -0.001 0.000 0.212 475 L C 2.254 179.219 176.870 0.158 0.000 1.075 475 L CA 1.845 56.770 54.840 0.141 0.000 0.752 475 L CB -0.835 41.286 42.059 0.103 0.000 0.891 475 L HN 0.796 nan 8.230 nan 0.000 0.432 476 C N -1.179 118.169 119.300 0.080 0.000 2.466 476 C HA -0.118 4.342 4.460 -0.001 0.000 0.278 476 C C 2.690 177.695 174.990 0.026 0.000 1.288 476 C CA 1.301 60.338 59.018 0.031 0.000 1.722 476 C CB -1.164 26.577 27.740 0.002 0.000 2.017 476 C HN 0.670 nan 8.230 nan 0.000 0.488 477 T N 0.735 115.322 114.554 0.056 0.000 2.788 477 T HA -0.149 4.201 4.350 -0.001 0.000 0.268 477 T C 1.417 176.166 174.700 0.081 0.000 1.044 477 T CA 1.864 63.998 62.100 0.057 0.000 1.139 477 T CB -0.575 68.332 68.868 0.065 0.000 0.867 477 T HN 0.647 nan 8.240 nan 0.000 0.454 478 F N 1.839 121.775 119.950 -0.022 0.000 2.113 478 F HA 0.059 4.585 4.527 -0.001 0.000 0.297 478 F C 1.878 177.656 175.800 -0.036 0.000 1.103 478 F CA 0.879 58.865 58.000 -0.023 0.000 1.248 478 F CB -0.590 38.399 39.000 -0.018 0.000 0.999 478 F HN 0.040 nan 8.300 nan 0.000 0.475 479 L N -0.204 120.876 121.223 -0.238 0.000 2.056 479 L HA -0.204 4.135 4.340 -0.001 0.000 0.207 479 L C 2.507 179.155 176.870 -0.371 0.000 1.078 479 L CA 1.398 56.013 54.840 -0.374 0.000 0.749 479 L CB -0.657 41.292 42.059 -0.183 0.000 0.901 479 L HN 0.159 nan 8.230 nan 0.000 0.433 480 I N -1.022 119.382 120.570 -0.276 0.000 2.315 480 I HA -0.277 3.892 4.170 -0.001 0.000 0.248 480 I C 2.820 178.856 176.117 -0.136 0.000 1.117 480 I CA 1.157 62.304 61.300 -0.256 0.000 1.404 480 I CB -0.179 37.762 38.000 -0.099 0.000 1.071 480 I HN 0.211 nan 8.210 nan 0.000 0.419 481 S N 0.689 116.310 115.700 -0.132 0.000 2.345 481 S HA -0.154 4.316 4.470 -0.001 0.000 0.220 481 S C 2.332 176.859 174.600 -0.122 0.000 1.031 481 S CA 1.058 59.209 58.200 -0.083 0.000 0.996 481 S CB -0.099 63.074 63.200 -0.045 0.000 0.882 481 S HN 0.234 nan 8.310 nan 0.000 0.445 482 R N 1.164 121.509 120.500 -0.258 0.000 2.105 482 R HA 0.027 4.367 4.340 -0.001 0.000 0.239 482 R C 2.505 178.706 176.300 -0.164 0.000 1.135 482 R CA 1.345 57.288 56.100 -0.262 0.000 0.967 482 R CB -1.451 28.548 30.300 -0.503 0.000 0.861 482 R HN 0.565 nan 8.270 nan 0.000 0.442 483 A N 0.289 123.003 122.820 -0.177 0.000 1.902 483 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 483 A C 2.570 180.186 177.584 0.054 0.000 1.181 483 A CA 1.558 53.547 52.037 -0.080 0.000 0.623 483 A CB -0.865 17.992 19.000 -0.239 0.000 0.818 483 A HN 0.428 nan 8.150 nan 0.000 0.443 484 C N -0.623 118.713 119.300 0.060 0.000 2.410 484 C HA -0.062 4.397 4.460 -0.001 0.000 0.281 484 C C 2.244 177.248 174.990 0.023 0.000 1.318 484 C CA 1.394 60.453 59.018 0.068 0.000 1.776 484 C CB -1.116 26.655 27.740 0.052 0.000 1.942 484 C HN 0.579 nan 8.230 nan 0.000 0.508 485 K N 0.026 120.425 120.400 -0.001 0.000 2.358 485 K HA 0.120 4.439 4.320 -0.001 0.000 0.197 485 K C 0.155 176.749 176.600 -0.009 0.000 1.025 485 K CA 0.095 56.378 56.287 -0.007 0.000 1.104 485 K CB 0.148 32.640 32.500 -0.013 0.000 0.855 485 K HN 0.292 nan 8.250 nan 0.000 0.531 486 N N 0.234 118.932 118.700 -0.004 0.000 2.572 486 N HA -0.001 4.738 4.740 -0.001 0.000 0.287 486 N C 0.184 175.702 175.510 0.014 0.000 1.136 486 N CA -0.030 53.019 53.050 -0.002 0.000 0.900 486 N CB 1.702 40.182 38.487 -0.011 0.000 1.484 486 N HN -0.024 nan 8.380 nan 0.000 0.526 487 S N 1.447 117.149 115.700 0.005 0.000 2.423 487 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 487 S C 1.453 176.057 174.600 0.007 0.000 1.014 487 S CA 1.375 59.574 58.200 -0.001 0.000 0.965 487 S CB -0.186 62.996 63.200 -0.030 0.000 0.785 487 S HN 0.513 nan 8.310 nan 0.000 0.495 488 T N 2.828 117.396 114.554 0.024 0.000 2.777 488 T HA 0.145 4.494 4.350 -0.001 0.000 0.266 488 T C 1.669 176.457 174.700 0.146 0.000 1.040 488 T CA 1.272 63.418 62.100 0.077 0.000 1.141 488 T CB -0.449 68.479 68.868 0.099 0.000 0.868 488 T HN 0.304 nan 8.240 nan 0.000 0.444 489 L N 0.652 121.929 121.223 0.089 0.000 2.056 489 L HA -0.073 4.267 4.340 -0.001 0.000 0.207 489 L C 3.048 179.969 176.870 0.084 0.000 1.078 489 L CA 1.154 56.039 54.840 0.076 0.000 0.749 489 L CB -0.668 41.387 42.059 -0.006 0.000 0.901 489 L HN 0.244 nan 8.230 nan 0.000 0.433 490 A N 0.239 123.119 122.820 0.100 0.000 1.892 490 A HA -0.297 4.023 4.320 -0.001 0.000 0.218 490 A C 2.012 179.709 177.584 0.190 0.000 1.188 490 A CA 2.456 54.636 52.037 0.237 0.000 0.631 490 A CB -0.800 18.329 19.000 0.216 0.000 0.822 490 A HN 0.448 nan 8.150 nan 0.000 0.447 491 N N -1.677 117.052 118.700 0.049 0.000 2.084 491 N HA -0.155 4.585 4.740 -0.001 0.000 0.190 491 N C 1.511 176.988 175.510 -0.055 0.000 1.030 491 N CA 1.902 54.924 53.050 -0.047 0.000 0.849 491 N CB -0.390 37.979 38.487 -0.197 0.000 1.012 491 N HN 0.580 nan 8.380 nan 0.000 0.423 492 Y N -0.132 120.143 120.300 -0.042 0.000 2.314 492 Y HA -0.006 4.544 4.550 -0.001 0.000 0.293 492 Y C 1.889 177.581 175.900 -0.346 0.000 1.129 492 Y CA 0.350 58.244 58.100 -0.344 0.000 1.201 492 Y CB -0.377 37.830 38.460 -0.422 0.000 0.999 492 Y HN 0.100 nan 8.280 nan 0.000 0.541 493 L N -0.743 120.508 121.223 0.046 0.000 2.017 493 L HA -0.251 4.088 4.340 -0.001 0.000 0.208 493 L C 2.238 179.182 176.870 0.124 0.000 1.073 493 L CA 1.807 56.673 54.840 0.042 0.000 0.745 493 L CB -1.170 40.799 42.059 -0.151 0.000 0.894 493 L HN 0.334 nan 8.230 nan 0.000 0.432 494 Y N -1.255 119.111 120.300 0.109 0.000 2.097 494 Y HA -0.322 4.227 4.550 -0.001 0.000 0.282 494 Y C 2.084 177.893 175.900 -0.153 0.000 1.152 494 Y CA 2.311 60.398 58.100 -0.022 0.000 1.136 494 Y CB -0.543 37.751 38.460 -0.277 0.000 0.975 494 Y HN 0.254 nan 8.280 nan 0.000 0.498 495 W N -1.741 119.554 121.300 -0.008 0.000 2.436 495 W HA -0.161 4.499 4.660 -0.001 0.000 0.284 495 W C 2.052 178.586 176.519 0.026 0.000 1.225 495 W CA 0.767 58.077 57.345 -0.057 0.000 1.271 495 W CB -0.623 28.835 29.460 -0.004 0.000 1.114 495 W HN 0.086 nan 8.180 nan 0.000 0.559 496 Y N -0.210 120.213 120.300 0.205 0.000 2.200 496 Y HA -0.174 4.376 4.550 -0.001 0.000 0.290 496 Y C 2.335 178.195 175.900 -0.067 0.000 1.137 496 Y CA 0.458 58.609 58.100 0.085 0.000 1.163 496 Y CB -1.456 37.061 38.460 0.094 0.000 0.988 496 Y HN -0.227 nan 8.280 nan 0.000 0.518 497 V N -0.564 119.390 119.914 0.067 0.000 2.453 497 V HA -0.227 3.893 4.120 -0.001 0.000 0.247 497 V C 2.292 178.276 176.094 -0.184 0.000 1.048 497 V CA 1.265 63.510 62.300 -0.093 0.000 1.049 497 V CB -0.734 31.087 31.823 -0.003 0.000 0.672 497 V HN 0.227 nan 8.190 nan 0.000 0.457 498 I N 0.006 120.431 120.570 -0.241 0.000 2.226 498 I HA -0.167 4.002 4.170 -0.001 0.000 0.245 498 I C 2.255 178.318 176.117 -0.090 0.000 1.100 498 I CA 1.460 62.594 61.300 -0.277 0.000 1.374 498 I CB -0.240 37.412 38.000 -0.579 0.000 1.057 498 I HN 0.076 nan 8.210 nan 0.000 0.413 499 V N 0.731 120.647 119.914 0.003 0.000 2.469 499 V HA -0.231 3.889 4.120 -0.001 0.000 0.251 499 V C 2.410 178.455 176.094 -0.083 0.000 1.064 499 V CA 1.648 63.957 62.300 0.015 0.000 1.066 499 V CB -0.808 31.061 31.823 0.076 0.000 0.667 499 V HN 0.416 nan 8.190 nan 0.000 0.461 500 E N -0.830 119.239 120.200 -0.220 0.000 2.158 500 E HA -0.119 4.231 4.350 -0.001 0.000 0.191 500 E C 2.236 178.719 176.600 -0.195 0.000 0.982 500 E CA 1.260 57.421 56.400 -0.400 0.000 0.823 500 E CB -0.575 28.418 29.700 -1.178 0.000 0.766 500 E HN 0.621 nan 8.360 nan 0.000 0.468 501 C N 1.254 120.474 119.300 -0.133 0.000 2.419 501 C HA -0.051 4.408 4.460 -0.001 0.000 0.281 501 C C 1.911 176.988 174.990 0.146 0.000 1.336 501 C CA 0.502 59.512 59.018 -0.013 0.000 1.770 501 C CB -0.589 27.111 27.740 -0.068 0.000 1.929 501 C HN 0.408 nan 8.230 nan 0.000 0.509 502 E N 0.097 120.339 120.200 0.071 0.000 2.476 502 E HA 0.018 4.367 4.350 -0.001 0.000 0.196 502 E C -0.251 176.375 176.600 0.044 0.000 1.029 502 E CA -0.090 56.359 56.400 0.083 0.000 0.896 502 E CB -0.066 29.673 29.700 0.065 0.000 1.012 502 E HN 0.476 nan 8.360 nan 0.000 0.475 503 D N 1.677 122.099 120.400 0.036 0.000 2.383 503 D HA -0.002 4.637 4.640 -0.001 0.000 0.245 503 D C 0.765 177.057 176.300 -0.014 0.000 1.263 503 D CA 0.280 54.283 54.000 0.006 0.000 0.936 503 D CB 0.742 41.542 40.800 -0.000 0.000 1.053 503 D HN -0.034 nan 8.370 nan 0.000 0.507 504 Q N 1.782 121.562 119.800 -0.033 0.000 2.230 504 Q HA -0.111 4.229 4.340 -0.001 0.000 0.202 504 Q C 1.366 177.331 176.000 -0.059 0.000 0.963 504 Q CA 0.663 56.425 55.803 -0.068 0.000 0.866 504 Q CB 0.250 28.962 28.738 -0.043 0.000 0.931 504 Q HN 0.520 nan 8.270 nan 0.000 0.452 505 D N -0.376 120.005 120.400 -0.031 0.000 2.133 505 D HA -0.176 4.464 4.640 -0.001 0.000 0.192 505 D C 1.462 177.754 176.300 -0.012 0.000 1.001 505 D CA 1.649 55.638 54.000 -0.017 0.000 0.844 505 D CB 0.216 41.012 40.800 -0.006 0.000 0.944 505 D HN 0.209 nan 8.370 nan 0.000 0.447 506 T N 0.545 115.098 114.554 -0.002 0.000 2.857 506 T HA -0.108 4.242 4.350 -0.001 0.000 0.266 506 T C 2.017 176.713 174.700 -0.006 0.000 1.048 506 T CA 0.790 62.910 62.100 0.033 0.000 1.139 506 T CB -0.111 68.814 68.868 0.095 0.000 0.874 506 T HN 0.260 nan 8.240 nan 0.000 0.455 507 Q N 0.799 120.518 119.800 -0.135 0.000 2.096 507 Q HA -0.210 4.130 4.340 -0.001 0.000 0.208 507 Q C 2.287 178.217 176.000 -0.116 0.000 0.993 507 Q CA 1.679 57.304 55.803 -0.297 0.000 0.862 507 Q CB -0.151 28.324 28.738 -0.438 0.000 0.915 507 Q HN 0.585 nan 8.270 nan 0.000 0.416 508 Q N -1.031 118.726 119.800 -0.072 0.000 2.408 508 Q HA 0.077 4.417 4.340 -0.001 0.000 0.205 508 Q C 1.628 177.625 176.000 -0.005 0.000 0.919 508 Q CA 0.090 55.874 55.803 -0.033 0.000 0.932 508 Q CB 0.503 29.223 28.738 -0.031 0.000 1.058 508 Q HN 0.204 nan 8.270 nan 0.000 0.517 509 R N 0.854 121.358 120.500 0.006 0.000 2.206 509 R HA 0.010 4.350 4.340 -0.001 0.000 0.198 509 R C -0.376 175.948 176.300 0.040 0.000 0.986 509 R CA 0.859 56.973 56.100 0.022 0.000 1.029 509 R CB 0.647 30.963 30.300 0.025 0.000 0.966 509 R HN 0.201 nan 8.270 nan 0.000 0.487 510 D N -1.032 119.401 120.400 0.054 0.000 2.419 510 D HA 0.079 4.719 4.640 -0.001 0.000 0.219 510 D C -2.582 173.779 176.300 0.102 0.000 1.349 510 D CA -1.716 52.331 54.000 0.078 0.000 0.964 510 D CB 1.603 42.462 40.800 0.098 0.000 1.463 510 D HN -0.226 nan 8.370 nan 0.000 0.573 511 P HA -0.037 nan 4.420 nan 0.000 0.230 511 P C 1.141 178.528 177.300 0.144 0.000 1.158 511 P CA 0.766 63.936 63.100 0.117 0.000 0.769 511 P CB 0.523 32.273 31.700 0.082 0.000 0.807 512 K N -1.050 119.439 120.400 0.148 0.000 2.116 512 K HA -0.007 4.312 4.320 -0.001 0.000 0.203 512 K C 1.915 178.566 176.600 0.085 0.000 1.052 512 K CA 1.337 57.728 56.287 0.175 0.000 0.952 512 K CB -0.502 32.162 32.500 0.274 0.000 0.729 512 K HN 0.054 nan 8.250 nan 0.000 0.446 513 T N 0.126 114.766 114.554 0.144 0.000 2.821 513 T HA -0.176 4.173 4.350 -0.001 0.000 0.267 513 T C 1.595 176.253 174.700 -0.070 0.000 1.046 513 T CA 1.031 63.092 62.100 -0.066 0.000 1.139 513 T CB -0.300 68.647 68.868 0.131 0.000 0.871 513 T HN 0.358 nan 8.240 nan 0.000 0.454 514 H N 1.233 120.310 119.070 0.012 0.000 2.290 514 H HA -0.087 4.468 4.556 -0.001 0.000 0.298 514 H C 2.179 177.501 175.328 -0.011 0.000 1.087 514 H CA 1.872 57.953 56.048 0.054 0.000 1.291 514 H CB 0.027 29.817 29.762 0.046 0.000 1.369 514 H HN 0.438 nan 8.280 nan 0.000 0.492 515 E N -0.010 120.144 120.200 -0.076 0.000 2.160 515 E HA -0.179 4.170 4.350 -0.001 0.000 0.195 515 E C 2.450 178.900 176.600 -0.249 0.000 0.991 515 E CA 0.892 57.206 56.400 -0.144 0.000 0.810 515 E CB -0.029 29.647 29.700 -0.040 0.000 0.742 515 E HN 0.393 nan 8.360 nan 0.000 0.466 516 M N -0.076 119.269 119.600 -0.424 0.000 2.059 516 M HA -0.207 4.272 4.480 -0.001 0.000 0.259 516 M C 1.659 177.683 176.300 -0.460 0.000 1.072 516 M CA 1.806 56.710 55.300 -0.661 0.000 1.117 516 M CB -0.514 31.217 32.600 -1.448 0.000 1.320 516 M HN 0.129 nan 8.290 nan 0.000 0.408 517 Y N 0.946 121.056 120.300 -0.318 0.000 2.165 517 Y HA -0.183 4.367 4.550 -0.001 0.000 0.286 517 Y C 2.473 178.248 175.900 -0.208 0.000 1.155 517 Y CA 1.597 59.560 58.100 -0.229 0.000 1.164 517 Y CB -0.934 37.417 38.460 -0.183 0.000 0.978 517 Y HN 0.255 nan 8.280 nan 0.000 0.513 518 L N -0.201 120.947 121.223 -0.124 0.000 2.127 518 L HA -0.285 4.055 4.340 -0.001 0.000 0.211 518 L C 1.973 178.794 176.870 -0.081 0.000 1.089 518 L CA 1.272 56.030 54.840 -0.137 0.000 0.757 518 L CB -0.459 41.470 42.059 -0.216 0.000 0.899 518 L HN 0.338 nan 8.230 nan 0.000 0.434 519 N N -0.548 118.092 118.700 -0.101 0.000 2.216 519 N HA -0.104 4.635 4.740 -0.001 0.000 0.183 519 N C 1.867 177.355 175.510 -0.037 0.000 1.017 519 N CA 1.008 54.016 53.050 -0.070 0.000 0.861 519 N CB -0.085 38.343 38.487 -0.098 0.000 0.986 519 N HN 0.135 nan 8.380 nan 0.000 0.428 520 V N 1.543 121.429 119.914 -0.047 0.000 2.407 520 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 520 V C 2.394 178.532 176.094 0.073 0.000 1.055 520 V CA 1.275 63.575 62.300 -0.000 0.000 1.049 520 V CB -0.364 31.462 31.823 0.005 0.000 0.662 520 V HN 0.199 nan 8.190 nan 0.000 0.455 521 M N 0.061 119.703 119.600 0.069 0.000 2.099 521 M HA -0.116 4.363 4.480 -0.001 0.000 0.262 521 M C 2.236 178.595 176.300 0.098 0.000 1.067 521 M CA 1.850 57.212 55.300 0.105 0.000 1.124 521 M CB -0.504 32.113 32.600 0.028 0.000 1.353 521 M HN 0.115 nan 8.290 nan 0.000 0.410 522 R N -0.805 119.721 120.500 0.043 0.000 2.091 522 R HA -0.115 4.225 4.340 -0.001 0.000 0.238 522 R C 2.314 178.646 176.300 0.053 0.000 1.136 522 R CA 1.354 57.473 56.100 0.030 0.000 0.959 522 R CB -0.430 29.874 30.300 0.006 0.000 0.856 522 R HN 0.345 nan 8.270 nan 0.000 0.437 523 R N 0.086 120.626 120.500 0.068 0.000 2.070 523 R HA -0.133 4.206 4.340 -0.001 0.000 0.233 523 R C 2.160 178.556 176.300 0.160 0.000 1.137 523 R CA 1.185 57.335 56.100 0.082 0.000 0.945 523 R CB -0.850 29.486 30.300 0.059 0.000 0.845 523 R HN 0.202 nan 8.270 nan 0.000 0.430 524 F N 1.776 121.721 119.950 -0.008 0.000 2.120 524 F HA -0.217 4.309 4.527 -0.001 0.000 0.300 524 F C 2.584 178.379 175.800 -0.009 0.000 1.095 524 F CA 1.410 59.407 58.000 -0.005 0.000 1.249 524 F CB -0.829 38.176 39.000 0.009 0.000 0.995 524 F HN -0.046 nan 8.300 nan 0.000 0.480 525 S N -0.529 115.195 115.700 0.040 0.000 2.356 525 S HA -0.194 4.276 4.470 -0.001 0.000 0.223 525 S C 2.066 176.632 174.600 -0.058 0.000 1.032 525 S CA 1.136 59.281 58.200 -0.092 0.000 1.005 525 S CB -0.300 62.869 63.200 -0.052 0.000 0.867 525 S HN 0.420 nan 8.310 nan 0.000 0.449 526 Q N 0.731 120.529 119.800 -0.003 0.000 2.096 526 Q HA -0.067 4.273 4.340 -0.001 0.000 0.204 526 Q C 2.422 178.429 176.000 0.010 0.000 0.982 526 Q CA 1.631 57.435 55.803 0.002 0.000 0.850 526 Q CB -0.892 27.855 28.738 0.016 0.000 0.901 526 Q HN 0.631 nan 8.270 nan 0.000 0.422 527 A N 0.630 123.479 122.820 0.048 0.000 1.877 527 A HA -0.149 4.171 4.320 -0.001 0.000 0.216 527 A C 2.251 179.849 177.584 0.023 0.000 1.186 527 A CA 1.220 53.293 52.037 0.060 0.000 0.620 527 A CB -0.764 18.314 19.000 0.130 0.000 0.822 527 A HN 0.352 nan 8.150 nan 0.000 0.443 528 L N -1.151 120.061 121.223 -0.017 0.000 2.131 528 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 528 L C 2.556 179.386 176.870 -0.067 0.000 1.092 528 L CA 1.010 55.807 54.840 -0.072 0.000 0.759 528 L CB -0.511 41.431 42.059 -0.194 0.000 0.903 528 L HN 0.444 nan 8.230 nan 0.000 0.435 529 L N 0.064 121.250 121.223 -0.062 0.000 2.046 529 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 529 L C 2.213 179.063 176.870 -0.033 0.000 1.077 529 L CA 1.850 56.660 54.840 -0.051 0.000 0.747 529 L CB -0.287 41.746 42.059 -0.044 0.000 0.896 529 L HN 0.088 nan 8.230 nan 0.000 0.432 530 K N -0.411 119.977 120.400 -0.020 0.000 2.404 530 K HA 0.203 4.523 4.320 -0.001 0.000 0.194 530 K C 0.982 177.577 176.600 -0.009 0.000 1.023 530 K CA 0.274 56.554 56.287 -0.011 0.000 1.094 530 K CB 0.061 32.559 32.500 -0.003 0.000 0.841 530 K HN 0.429 nan 8.250 nan 0.000 0.523 531 G N 1.922 110.715 108.800 -0.012 0.000 2.611 531 G HA2 0.006 3.965 3.960 -0.001 0.000 0.273 531 G HA3 0.006 3.965 3.960 -0.001 0.000 0.273 531 G C -0.219 174.671 174.900 -0.015 0.000 1.305 531 G CA -0.422 44.672 45.100 -0.010 0.000 1.010 531 G HN 0.199 nan 8.290 nan 0.000 0.509 532 D N -1.508 118.884 120.400 -0.013 0.000 2.466 532 D HA 0.202 4.841 4.640 -0.001 0.000 0.262 532 D C 1.159 177.446 176.300 -0.021 0.000 1.177 532 D CA -0.750 53.241 54.000 -0.015 0.000 1.035 532 D CB 0.965 41.759 40.800 -0.011 0.000 1.105 532 D HN 0.176 nan 8.370 nan 0.000 0.551 533 K N -0.466 119.922 120.400 -0.021 0.000 2.063 533 K HA -0.132 4.188 4.320 -0.001 0.000 0.208 533 K C 2.102 178.685 176.600 -0.029 0.000 1.048 533 K CA 1.874 58.146 56.287 -0.026 0.000 0.928 533 K CB -0.378 32.108 32.500 -0.023 0.000 0.713 533 K HN 0.514 nan 8.250 nan 0.000 0.442 534 S N -0.755 114.931 115.700 -0.024 0.000 2.383 534 S HA -0.103 4.366 4.470 -0.001 0.000 0.227 534 S C 2.038 176.621 174.600 -0.029 0.000 1.026 534 S CA 1.259 59.444 58.200 -0.025 0.000 0.981 534 S CB -0.462 62.727 63.200 -0.019 0.000 0.818 534 S HN 0.028 nan 8.310 nan 0.000 0.472 535 V N 1.977 121.876 119.914 -0.026 0.000 2.446 535 V HA 0.039 4.158 4.120 -0.001 0.000 0.244 535 V C 2.840 178.904 176.094 -0.049 0.000 1.039 535 V CA 1.685 63.968 62.300 -0.028 0.000 1.045 535 V CB -0.701 31.114 31.823 -0.013 0.000 0.681 535 V HN 0.436 nan 8.190 nan 0.000 0.459 536 R N 0.781 121.252 120.500 -0.049 0.000 2.080 536 R HA -0.166 4.173 4.340 -0.001 0.000 0.236 536 R C 2.180 178.432 176.300 -0.080 0.000 1.137 536 R CA 2.136 58.198 56.100 -0.063 0.000 0.943 536 R CB -1.391 28.880 30.300 -0.049 0.000 0.846 536 R HN 0.267 nan 8.270 nan 0.000 0.431 537 V N 0.462 120.334 119.914 -0.070 0.000 2.511 537 V HA -0.309 3.811 4.120 -0.001 0.000 0.257 537 V C 2.134 178.167 176.094 -0.102 0.000 1.088 537 V CA 2.412 64.666 62.300 -0.077 0.000 1.098 537 V CB -0.332 31.454 31.823 -0.062 0.000 0.674 537 V HN 0.548 nan 8.190 nan 0.000 0.470 538 M N -1.039 118.494 119.600 -0.112 0.000 2.319 538 M HA -0.083 4.396 4.480 -0.001 0.000 0.265 538 M C 2.175 178.347 176.300 -0.214 0.000 1.068 538 M CA 1.676 56.890 55.300 -0.144 0.000 1.118 538 M CB -0.223 32.305 32.600 -0.119 0.000 1.395 538 M HN 0.290 nan 8.290 nan 0.000 0.435 539 R N -0.407 119.964 120.500 -0.215 0.000 2.061 539 R HA -0.138 4.202 4.340 -0.001 0.000 0.230 539 R C 2.074 178.216 176.300 -0.263 0.000 1.140 539 R CA 2.110 58.047 56.100 -0.272 0.000 0.940 539 R CB -0.268 29.905 30.300 -0.210 0.000 0.839 539 R HN 0.460 nan 8.270 nan 0.000 0.429 540 S N 0.229 115.817 115.700 -0.188 0.000 2.461 540 S HA -0.005 4.464 4.470 -0.001 0.000 0.228 540 S C 2.104 176.607 174.600 -0.162 0.000 1.005 540 S CA 0.336 58.440 58.200 -0.160 0.000 0.942 540 S CB -0.245 62.889 63.200 -0.109 0.000 0.776 540 S HN 0.295 nan 8.310 nan 0.000 0.514 541 L N 0.821 121.944 121.223 -0.168 0.000 2.079 541 L HA -0.066 4.274 4.340 -0.001 0.000 0.210 541 L C 2.485 179.221 176.870 -0.223 0.000 1.081 541 L CA 1.181 55.923 54.840 -0.164 0.000 0.752 541 L CB -0.640 41.330 42.059 -0.148 0.000 0.896 541 L HN 0.336 nan 8.230 nan 0.000 0.433 542 L N -0.755 120.265 121.223 -0.338 0.000 2.023 542 L HA -0.142 4.198 4.340 -0.001 0.000 0.205 542 L C 2.946 179.497 176.870 -0.532 0.000 1.073 542 L CA 1.065 55.564 54.840 -0.569 0.000 0.745 542 L CB -0.921 40.606 42.059 -0.887 0.000 0.900 542 L HN 0.210 nan 8.230 nan 0.000 0.435 543 A N 0.494 123.079 122.820 -0.392 0.000 1.927 543 A HA -0.297 4.023 4.320 -0.001 0.000 0.220 543 A C 2.501 180.018 177.584 -0.111 0.000 1.185 543 A CA 2.308 54.212 52.037 -0.221 0.000 0.639 543 A CB -0.804 18.104 19.000 -0.152 0.000 0.820 543 A HN 0.456 nan 8.150 nan 0.000 0.451 544 A N -1.281 121.479 122.820 -0.099 0.000 1.930 544 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 544 A C 2.099 179.715 177.584 0.054 0.000 1.175 544 A CA 1.537 53.566 52.037 -0.015 0.000 0.627 544 A CB -0.491 18.489 19.000 -0.033 0.000 0.815 544 A HN 0.666 nan 8.150 nan 0.000 0.443 545 Q N -1.205 118.599 119.800 0.007 0.000 2.124 545 Q HA -0.252 4.087 4.340 -0.001 0.000 0.202 545 Q C 2.297 178.518 176.000 0.368 0.000 0.977 545 Q CA 1.744 57.639 55.803 0.154 0.000 0.850 545 Q CB -0.135 28.714 28.738 0.185 0.000 0.901 545 Q HN 0.765 nan 8.270 nan 0.000 0.429 546 Q N 0.075 120.015 119.800 0.233 0.000 2.046 546 Q HA -0.124 4.216 4.340 -0.001 0.000 0.200 546 Q C 1.863 178.043 176.000 0.300 0.000 0.975 546 Q CA 2.107 58.109 55.803 0.332 0.000 0.836 546 Q CB -0.246 28.575 28.738 0.138 0.000 0.896 546 Q HN 0.270 nan 8.270 nan 0.000 0.428 547 T N 0.401 115.069 114.554 0.190 0.000 2.720 547 T HA -0.162 4.188 4.350 -0.001 0.000 0.268 547 T C 1.331 176.132 174.700 0.168 0.000 1.037 547 T CA 1.366 63.553 62.100 0.145 0.000 1.144 547 T CB -0.570 68.353 68.868 0.092 0.000 0.864 547 T HN 0.348 nan 8.240 nan 0.000 0.444 548 F N 1.658 121.663 119.950 0.092 0.000 2.095 548 F HA -0.131 4.395 4.527 -0.001 0.000 0.298 548 F C 2.271 178.128 175.800 0.096 0.000 1.104 548 F CA 0.931 58.983 58.000 0.085 0.000 1.232 548 F CB -0.453 38.608 39.000 0.102 0.000 0.987 548 F HN -0.083 nan 8.300 nan 0.000 0.475 549 V N 0.217 120.384 119.914 0.422 0.000 2.453 549 V HA -0.252 3.868 4.120 -0.001 0.000 0.247 549 V C 2.019 178.196 176.094 0.139 0.000 1.048 549 V CA 1.938 64.428 62.300 0.317 0.000 1.049 549 V CB -0.721 31.412 31.823 0.516 0.000 0.672 549 V HN 0.258 nan 8.190 nan 0.000 0.457 550 D N 0.307 120.816 120.400 0.182 0.000 2.116 550 D HA -0.184 4.455 4.640 -0.001 0.000 0.193 550 D C 2.392 178.701 176.300 0.016 0.000 0.998 550 D CA 1.432 55.497 54.000 0.108 0.000 0.836 550 D CB -0.275 40.595 40.800 0.117 0.000 0.951 550 D HN 0.385 nan 8.370 nan 0.000 0.449 551 R N -0.252 120.216 120.500 -0.054 0.000 2.092 551 R HA -0.050 4.290 4.340 -0.001 0.000 0.231 551 R C 2.239 178.433 176.300 -0.175 0.000 1.119 551 R CA 0.309 56.328 56.100 -0.135 0.000 0.970 551 R CB -0.383 29.781 30.300 -0.227 0.000 0.864 551 R HN 0.134 nan 8.270 nan 0.000 0.440 552 L N 0.789 121.844 121.223 -0.280 0.000 2.201 552 L HA -0.107 4.232 4.340 -0.001 0.000 0.212 552 L C 1.978 178.713 176.870 -0.226 0.000 1.105 552 L CA 1.388 56.014 54.840 -0.357 0.000 0.775 552 L CB -0.131 41.573 42.059 -0.592 0.000 0.913 552 L HN -0.098 nan 8.230 nan 0.000 0.440 553 V N -1.093 118.726 119.914 -0.158 0.000 2.358 553 V HA -0.303 3.817 4.120 -0.001 0.000 0.246 553 V C 2.447 178.437 176.094 -0.173 0.000 1.047 553 V CA 1.865 64.050 62.300 -0.191 0.000 1.035 553 V CB -0.747 30.961 31.823 -0.192 0.000 0.658 553 V HN 0.634 nan 8.190 nan 0.000 0.452 554 H N -0.348 118.634 119.070 -0.147 0.000 2.387 554 H HA -0.175 4.381 4.556 -0.001 0.000 0.299 554 H C 1.972 177.232 175.328 -0.113 0.000 1.090 554 H CA 2.033 58.019 56.048 -0.103 0.000 1.332 554 H CB 0.020 29.736 29.762 -0.077 0.000 1.386 554 H HN 0.308 nan 8.280 nan 0.000 0.516 555 L N -0.362 120.851 121.223 -0.016 0.000 2.027 555 L HA -0.138 4.201 4.340 -0.001 0.000 0.206 555 L C 1.918 178.730 176.870 -0.097 0.000 1.074 555 L CA 1.698 56.506 54.840 -0.054 0.000 0.745 555 L CB -0.507 41.501 42.059 -0.085 0.000 0.898 555 L HN 0.340 nan 8.230 nan 0.000 0.433 556 M N -0.709 118.814 119.600 -0.128 0.000 2.296 556 M HA -0.175 4.304 4.480 -0.001 0.000 0.265 556 M C 2.200 178.408 176.300 -0.152 0.000 1.064 556 M CA 1.409 56.633 55.300 -0.126 0.000 1.109 556 M CB -0.860 31.650 32.600 -0.151 0.000 1.396 556 M HN 0.323 nan 8.290 nan 0.000 0.430 557 K N 0.220 120.486 120.400 -0.223 0.000 2.025 557 K HA -0.050 4.270 4.320 -0.001 0.000 0.207 557 K C 2.168 178.704 176.600 -0.107 0.000 1.049 557 K CA 1.373 57.584 56.287 -0.126 0.000 0.933 557 K CB -0.179 32.229 32.500 -0.153 0.000 0.714 557 K HN 0.256 nan 8.250 nan 0.000 0.438 558 A N 1.111 123.836 122.820 -0.158 0.000 1.873 558 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 558 A C 2.376 179.925 177.584 -0.057 0.000 1.193 558 A CA 1.858 53.828 52.037 -0.112 0.000 0.629 558 A CB -0.903 18.035 19.000 -0.103 0.000 0.826 558 A HN 0.082 nan 8.150 nan 0.000 0.447 559 V N -0.229 119.657 119.914 -0.047 0.000 2.223 559 V HA -0.341 3.779 4.120 -0.001 0.000 0.244 559 V C 2.611 178.701 176.094 -0.006 0.000 1.045 559 V CA 2.346 64.633 62.300 -0.022 0.000 1.000 559 V CB -1.093 30.721 31.823 -0.015 0.000 0.635 559 V HN 0.662 nan 8.190 nan 0.000 0.445 560 Q N -0.560 119.245 119.800 0.008 0.000 2.297 560 Q HA -0.239 4.101 4.340 -0.001 0.000 0.208 560 Q C 2.383 178.395 176.000 0.019 0.000 0.981 560 Q CA 1.523 57.344 55.803 0.030 0.000 0.876 560 Q CB -0.263 28.519 28.738 0.073 0.000 0.921 560 Q HN 0.568 nan 8.270 nan 0.000 0.446 561 R N 1.545 122.048 120.500 0.004 0.000 2.200 561 R HA -0.056 4.283 4.340 -0.001 0.000 0.208 561 R C 0.229 176.526 176.300 -0.005 0.000 1.033 561 R CA 0.235 56.334 56.100 -0.002 0.000 1.000 561 R CB 0.215 30.506 30.300 -0.015 0.000 0.906 561 R HN 0.038 nan 8.270 nan 0.000 0.462 562 E N 2.332 122.528 120.200 -0.007 0.000 2.341 562 E HA -0.033 4.317 4.350 -0.001 0.000 0.256 562 E C -0.547 176.052 176.600 -0.002 0.000 1.125 562 E CA -0.090 56.306 56.400 -0.006 0.000 0.939 562 E CB 0.493 30.188 29.700 -0.008 0.000 0.991 562 E HN 0.333 nan 8.360 nan 0.000 0.458 563 S N 3.503 119.202 115.700 -0.002 0.000 2.563 563 S HA 0.479 4.949 4.470 -0.001 0.000 0.284 563 S C 0.708 175.307 174.600 -0.001 0.000 1.331 563 S CA -0.095 58.105 58.200 -0.001 0.000 1.047 563 S CB 0.852 64.051 63.200 -0.001 0.000 0.859 563 S HN 1.289 nan 8.310 nan 0.000 0.514 564 G N 1.612 110.412 108.800 -0.001 0.000 2.587 564 G HA2 0.082 4.042 3.960 -0.001 0.000 0.686 564 G HA3 0.082 4.042 3.960 -0.001 0.000 0.686 564 G C -0.758 174.142 174.900 -0.000 0.000 1.236 564 G CA -0.407 44.692 45.100 -0.002 0.000 0.820 564 G HN 1.324 nan 8.290 nan 0.000 0.645 565 N N -0.303 118.396 118.700 -0.001 0.000 2.476 565 N HA 0.418 5.158 4.740 -0.001 0.000 0.287 565 N C 1.439 176.949 175.510 -0.000 0.000 1.262 565 N CA -0.344 52.706 53.050 0.000 0.000 0.980 565 N CB 0.651 39.137 38.487 -0.001 0.000 1.163 565 N HN 0.750 nan 8.380 nan 0.000 0.592 566 R N -0.426 120.075 120.500 0.001 0.000 2.120 566 R HA -0.082 4.257 4.340 -0.001 0.000 0.234 566 R C 1.748 178.043 176.300 -0.008 0.000 1.123 566 R CA 1.349 57.449 56.100 0.000 0.000 0.975 566 R CB -0.073 30.229 30.300 0.004 0.000 0.866 566 R HN 0.651 nan 8.270 nan 0.000 0.446 567 K N 0.289 120.683 120.400 -0.009 0.000 2.057 567 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 567 K C 1.771 178.362 176.600 -0.014 0.000 1.050 567 K CA 1.202 57.481 56.287 -0.013 0.000 0.935 567 K CB 0.150 32.643 32.500 -0.012 0.000 0.715 567 K HN 0.003 nan 8.250 nan 0.000 0.439 568 K N 1.009 121.403 120.400 -0.011 0.000 2.057 568 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 568 K C 1.993 178.585 176.600 -0.012 0.000 1.049 568 K CA 1.332 57.612 56.287 -0.011 0.000 0.931 568 K CB -0.139 32.356 32.500 -0.008 0.000 0.714 568 K HN 0.209 nan 8.250 nan 0.000 0.440 569 K N 0.723 121.117 120.400 -0.010 0.000 2.097 569 K HA -0.079 4.241 4.320 -0.001 0.000 0.206 569 K C 1.861 178.452 176.600 -0.015 0.000 1.049 569 K CA 0.961 57.243 56.287 -0.009 0.000 0.933 569 K CB -0.111 32.388 32.500 -0.002 0.000 0.717 569 K HN 0.090 nan 8.250 nan 0.000 0.442 570 N N 1.353 120.041 118.700 -0.020 0.000 2.120 570 N HA -0.145 4.595 4.740 -0.001 0.000 0.188 570 N C 1.552 177.045 175.510 -0.029 0.000 1.024 570 N CA 1.206 54.238 53.050 -0.029 0.000 0.852 570 N CB -0.064 38.402 38.487 -0.036 0.000 1.003 570 N HN 0.312 nan 8.380 nan 0.000 0.424 571 E N 0.229 120.414 120.200 -0.025 0.000 2.106 571 E HA -0.128 4.222 4.350 -0.001 0.000 0.192 571 E C 2.048 178.634 176.600 -0.024 0.000 0.984 571 E CA 0.684 57.069 56.400 -0.024 0.000 0.806 571 E CB 0.066 29.754 29.700 -0.021 0.000 0.750 571 E HN 0.179 nan 8.360 nan 0.000 0.458 572 R N 0.743 121.230 120.500 -0.021 0.000 2.062 572 R HA -0.153 4.187 4.340 -0.001 0.000 0.231 572 R C 2.320 178.604 176.300 -0.025 0.000 1.136 572 R CA 0.969 57.056 56.100 -0.021 0.000 0.948 572 R CB -0.541 29.748 30.300 -0.018 0.000 0.845 572 R HN 0.136 nan 8.270 nan 0.000 0.430 573 L N 1.158 122.365 121.223 -0.026 0.000 2.010 573 L HA -0.309 4.031 4.340 -0.001 0.000 0.219 573 L C 1.886 178.732 176.870 -0.039 0.000 1.077 573 L CA 2.071 56.892 54.840 -0.032 0.000 0.773 573 L CB -0.629 41.414 42.059 -0.027 0.000 0.892 573 L HN 0.368 nan 8.230 nan 0.000 0.436 574 Q N -0.904 118.874 119.800 -0.037 0.000 2.172 574 Q HA -0.054 4.285 4.340 -0.001 0.000 0.200 574 Q C 2.264 178.242 176.000 -0.037 0.000 0.964 574 Q CA 1.178 56.957 55.803 -0.040 0.000 0.855 574 Q CB -0.338 28.377 28.738 -0.040 0.000 0.918 574 Q HN 0.722 nan 8.270 nan 0.000 0.444 575 A N 1.111 123.912 122.820 -0.032 0.000 1.865 575 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 575 A C 1.999 179.565 177.584 -0.031 0.000 1.191 575 A CA 1.184 53.204 52.037 -0.028 0.000 0.623 575 A CB -0.542 18.444 19.000 -0.023 0.000 0.826 575 A HN 0.232 nan 8.150 nan 0.000 0.444 576 L N -0.444 120.759 121.223 -0.032 0.000 2.046 576 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 576 L C 2.540 179.379 176.870 -0.050 0.000 1.077 576 L CA 1.436 56.254 54.840 -0.036 0.000 0.747 576 L CB -1.241 40.798 42.059 -0.033 0.000 0.896 576 L HN 0.386 nan 8.230 nan 0.000 0.432 577 L N -1.013 120.175 121.223 -0.058 0.000 2.046 577 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 577 L C 2.422 179.259 176.870 -0.055 0.000 1.077 577 L CA 1.374 56.172 54.840 -0.071 0.000 0.747 577 L CB -1.048 40.968 42.059 -0.072 0.000 0.896 577 L HN 0.391 nan 8.230 nan 0.000 0.432 578 G N -1.328 107.446 108.800 -0.044 0.000 2.470 578 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.220 578 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.220 578 G C 0.580 175.462 174.900 -0.031 0.000 1.121 578 G CA 0.303 45.383 45.100 -0.035 0.000 0.766 578 G HN 0.260 nan 8.290 nan 0.000 0.553 579 D N 0.105 120.484 120.400 -0.035 0.000 2.494 579 D HA 0.117 4.757 4.640 -0.001 0.000 0.217 579 D C 1.161 177.439 176.300 -0.036 0.000 1.153 579 D CA -0.493 53.488 54.000 -0.031 0.000 0.954 579 D CB 0.015 40.798 40.800 -0.028 0.000 1.034 579 D HN 0.021 nan 8.370 nan 0.000 0.518 580 N N 2.284 120.966 118.700 -0.030 0.000 2.396 580 N HA -0.096 4.644 4.740 -0.001 0.000 0.180 580 N C 1.332 176.823 175.510 -0.032 0.000 1.028 580 N CA 0.816 53.848 53.050 -0.031 0.000 0.893 580 N CB 0.309 38.786 38.487 -0.016 0.000 0.967 580 N HN 0.406 nan 8.380 nan 0.000 0.440 581 E N 0.039 120.222 120.200 -0.028 0.000 2.072 581 E HA -0.161 4.188 4.350 -0.001 0.000 0.190 581 E C 1.612 178.189 176.600 -0.037 0.000 0.982 581 E CA 0.760 57.144 56.400 -0.028 0.000 0.803 581 E CB 0.027 29.713 29.700 -0.022 0.000 0.755 581 E HN 0.330 nan 8.360 nan 0.000 0.453 582 K N -0.301 120.076 120.400 -0.038 0.000 2.057 582 K HA -0.095 4.225 4.320 -0.001 0.000 0.206 582 K C 1.751 178.309 176.600 -0.069 0.000 1.050 582 K CA 1.252 57.512 56.287 -0.046 0.000 0.935 582 K CB 0.240 32.721 32.500 -0.032 0.000 0.715 582 K HN 0.027 nan 8.250 nan 0.000 0.439 583 M N -0.966 118.590 119.600 -0.074 0.000 2.329 583 M HA 0.107 4.587 4.480 -0.001 0.000 0.281 583 M C -0.157 176.066 176.300 -0.128 0.000 1.088 583 M CA 0.340 55.576 55.300 -0.106 0.000 1.108 583 M CB -0.232 32.309 32.600 -0.099 0.000 1.657 583 M HN 0.064 nan 8.290 nan 0.000 0.579 584 N N 1.113 119.759 118.700 -0.089 0.000 2.725 584 N HA -0.184 4.556 4.740 -0.001 0.000 0.251 584 N C 0.254 175.701 175.510 -0.105 0.000 1.031 584 N CA 0.281 53.291 53.050 -0.067 0.000 0.720 584 N CB -1.089 37.369 38.487 -0.048 0.000 0.930 584 N HN 0.318 nan 8.380 nan 0.000 0.543 585 L N -2.580 118.568 121.223 -0.125 0.000 2.840 585 L HA 0.224 4.563 4.340 -0.001 0.000 0.249 585 L C 1.734 178.614 176.870 0.016 0.000 1.119 585 L CA 0.010 54.749 54.840 -0.167 0.000 0.930 585 L CB 0.305 42.158 42.059 -0.344 0.000 1.295 585 L HN 0.138 nan 8.230 nan 0.000 0.534 586 S N -0.115 115.585 115.700 0.001 0.000 2.345 586 S HA -0.046 4.423 4.470 -0.001 0.000 0.219 586 S C -0.104 174.528 174.600 0.054 0.000 1.031 586 S CA 1.166 59.375 58.200 0.016 0.000 0.984 586 S CB 0.018 63.216 63.200 -0.004 0.000 0.874 586 S HN 0.347 nan 8.310 nan 0.000 0.451 587 D N -0.280 120.157 120.400 0.061 0.000 2.736 587 D HA 0.474 5.114 4.640 -0.001 0.000 0.243 587 D C -1.065 175.284 176.300 0.081 0.000 1.304 587 D CA -0.286 53.754 54.000 0.066 0.000 0.934 587 D CB 2.141 42.963 40.800 0.036 0.000 1.382 587 D HN 0.167 nan 8.370 nan 0.000 0.571 588 V N -0.567 119.410 119.914 0.104 0.000 3.040 588 V HA 0.620 4.740 4.120 -0.001 0.000 0.312 588 V C -0.201 175.925 176.094 0.053 0.000 1.115 588 V CA -0.965 61.395 62.300 0.101 0.000 0.998 588 V CB 2.162 34.103 31.823 0.196 0.000 1.042 588 V HN 0.276 nan 8.190 nan 0.000 0.433 589 E N 2.114 122.335 120.200 0.034 0.000 2.417 589 E HA 0.156 4.505 4.350 -0.001 0.000 0.261 589 E C -0.289 176.305 176.600 -0.011 0.000 1.000 589 E CA -0.182 56.222 56.400 0.008 0.000 0.919 589 E CB 0.711 30.410 29.700 -0.001 0.000 0.955 589 E HN 0.625 nan 8.360 nan 0.000 0.455 590 L N 4.047 125.256 121.223 -0.023 0.000 2.972 590 L HA -0.186 4.154 4.340 -0.001 0.000 0.312 590 L C 0.296 177.120 176.870 -0.075 0.000 1.169 590 L CA 1.360 56.171 54.840 -0.049 0.000 0.873 590 L CB -0.790 41.242 42.059 -0.045 0.000 1.237 590 L HN 0.384 nan 8.230 nan 0.000 0.510 591 I N 2.130 122.630 120.570 -0.117 0.000 2.994 591 I HA 0.684 4.854 4.170 -0.001 0.000 0.306 591 I C -2.754 173.239 176.117 -0.207 0.000 1.195 591 I CA -2.463 58.745 61.300 -0.153 0.000 1.001 591 I CB 2.335 40.236 38.000 -0.164 0.000 1.244 591 I HN 0.260 nan 8.210 nan 0.000 0.437 592 P HA 0.263 nan 4.420 nan 0.000 0.285 592 P C -0.722 176.370 177.300 -0.346 0.000 1.259 592 P CA -0.357 62.595 63.100 -0.246 0.000 0.794 592 P CB 0.987 32.569 31.700 -0.196 0.000 0.940 593 L N 7.063 128.007 121.223 -0.464 0.000 2.530 593 L HA 0.178 4.518 4.340 -0.001 0.000 0.273 593 L C -1.713 174.772 176.870 -0.642 0.000 1.141 593 L CA -1.425 52.997 54.840 -0.697 0.000 0.905 593 L CB -0.084 41.460 42.059 -0.859 0.000 1.202 593 L HN 0.293 nan 8.230 nan 0.000 0.473 594 P HA -0.201 nan 4.420 nan 0.000 0.215 594 P C 1.600 178.524 177.300 -0.626 0.000 1.153 594 P CA 0.862 63.603 63.100 -0.598 0.000 0.853 594 P CB 0.083 31.312 31.700 -0.785 0.000 0.788 595 L N -0.340 120.469 121.223 -0.690 0.000 2.103 595 L HA -0.138 4.201 4.340 -0.001 0.000 0.215 595 L C 0.882 177.645 176.870 -0.179 0.000 1.080 595 L CA 1.911 56.545 54.840 -0.344 0.000 0.764 595 L CB -0.794 41.101 42.059 -0.272 0.000 0.890 595 L HN 0.031 nan 8.230 nan 0.000 0.435 596 E N -1.918 118.093 120.200 -0.315 0.000 2.738 596 E HA 0.160 4.509 4.350 -0.001 0.000 0.347 596 E C -2.153 174.293 176.600 -0.257 0.000 1.077 596 E CA -1.088 55.208 56.400 -0.172 0.000 0.755 596 E CB 0.953 30.582 29.700 -0.119 0.000 1.576 596 E HN -0.003 nan 8.360 nan 0.000 0.379 597 P HA -0.146 nan 4.420 nan 0.000 0.226 597 P C 0.783 177.984 177.300 -0.165 0.000 1.146 597 P CA 0.860 63.823 63.100 -0.229 0.000 0.773 597 P CB 0.299 31.878 31.700 -0.203 0.000 0.772 598 Q N -1.071 118.661 119.800 -0.114 0.000 2.369 598 Q HA 0.013 4.353 4.340 -0.001 0.000 0.206 598 Q C 0.521 176.459 176.000 -0.103 0.000 0.963 598 Q CA 0.540 56.295 55.803 -0.080 0.000 0.894 598 Q CB -0.297 28.421 28.738 -0.035 0.000 0.965 598 Q HN 0.130 nan 8.270 nan 0.000 0.475 599 V N 1.387 121.199 119.914 -0.171 0.000 2.567 599 V HA 0.247 4.367 4.120 -0.001 0.000 0.289 599 V C -0.008 175.949 176.094 -0.230 0.000 1.049 599 V CA -0.604 61.581 62.300 -0.192 0.000 0.969 599 V CB 1.566 33.220 31.823 -0.283 0.000 0.995 599 V HN 0.068 nan 8.190 nan 0.000 0.471 600 K N 4.559 124.859 120.400 -0.166 0.000 2.324 600 K HA 0.724 5.043 4.320 -0.001 0.000 0.253 600 K C -1.105 175.414 176.600 -0.134 0.000 0.932 600 K CA -0.686 55.503 56.287 -0.163 0.000 0.799 600 K CB 2.531 34.965 32.500 -0.111 0.000 1.154 600 K HN 0.638 nan 8.250 nan 0.000 0.425 601 I N -1.923 118.553 120.570 -0.157 0.000 2.740 601 I HA 0.466 4.635 4.170 -0.001 0.000 0.303 601 I C 0.467 176.561 176.117 -0.039 0.000 1.044 601 I CA -0.617 60.638 61.300 -0.076 0.000 1.064 601 I CB 2.076 40.028 38.000 -0.079 0.000 1.249 601 I HN 0.559 nan 8.210 nan 0.000 0.433 602 R N 2.144 122.667 120.500 0.038 0.000 2.307 602 R HA 0.620 4.960 4.340 -0.001 0.000 0.200 602 R C 0.365 176.726 176.300 0.101 0.000 0.893 602 R CA 0.322 56.450 56.100 0.048 0.000 1.042 602 R CB 0.707 31.033 30.300 0.043 0.000 1.059 602 R HN 1.079 nan 8.270 nan 0.000 0.530 603 G N 0.009 108.902 108.800 0.155 0.000 2.333 603 G HA2 0.161 4.121 3.960 -0.001 0.000 0.288 603 G HA3 0.161 4.121 3.960 -0.001 0.000 0.288 603 G C -1.652 173.310 174.900 0.102 0.000 1.286 603 G CA -0.944 44.279 45.100 0.205 0.000 0.865 603 G HN -0.009 nan 8.290 nan 0.000 0.506 604 I N 0.804 121.372 120.570 -0.003 0.000 2.441 604 I HA 0.407 4.577 4.170 -0.001 0.000 0.295 604 I C 0.256 176.336 176.117 -0.062 0.000 0.994 604 I CA -0.817 60.375 61.300 -0.180 0.000 1.144 604 I CB 1.943 39.757 38.000 -0.310 0.000 1.314 604 I HN 0.305 nan 8.210 nan 0.000 0.445 605 I N 7.902 128.456 120.570 -0.026 0.000 2.581 605 I HA 0.038 4.208 4.170 -0.001 0.000 0.285 605 I C -1.384 174.712 176.117 -0.035 0.000 1.129 605 I CA -1.103 60.188 61.300 -0.015 0.000 1.397 605 I CB 0.426 38.421 38.000 -0.009 0.000 1.399 605 I HN 0.422 nan 8.210 nan 0.000 0.537 606 P HA -0.174 nan 4.420 nan 0.000 0.218 606 P C 1.003 178.274 177.300 -0.048 0.000 1.149 606 P CA 0.991 64.063 63.100 -0.046 0.000 0.817 606 P CB 0.077 31.752 31.700 -0.042 0.000 0.785 607 E N -0.374 119.793 120.200 -0.056 0.000 2.479 607 E HA 0.003 4.352 4.350 -0.001 0.000 0.193 607 E C 0.324 176.871 176.600 -0.088 0.000 1.049 607 E CA 0.896 57.257 56.400 -0.065 0.000 0.870 607 E CB -0.773 28.889 29.700 -0.063 0.000 0.944 607 E HN 0.255 nan 8.360 nan 0.000 0.492 608 T N -2.279 112.217 114.554 -0.098 0.000 3.145 608 T HA 0.559 4.909 4.350 -0.001 0.000 0.281 608 T C 0.465 175.143 174.700 -0.036 0.000 1.003 608 T CA -0.115 61.900 62.100 -0.143 0.000 0.901 608 T CB 0.612 69.261 68.868 -0.365 0.000 1.112 608 T HN 0.255 nan 8.240 nan 0.000 0.535 609 A N 2.076 124.885 122.820 -0.019 0.000 2.274 609 A HA 0.744 5.064 4.320 -0.001 0.000 0.309 609 A C 0.488 178.042 177.584 -0.049 0.000 1.226 609 A CA -0.465 51.570 52.037 -0.003 0.000 0.853 609 A CB 0.481 19.471 19.000 -0.017 0.000 1.146 609 A HN 0.596 nan 8.150 nan 0.000 0.518 610 T N -0.117 114.384 114.554 -0.089 0.000 2.812 610 T HA 0.714 5.063 4.350 -0.001 0.000 0.294 610 T C -0.571 174.024 174.700 -0.174 0.000 1.159 610 T CA -0.793 61.231 62.100 -0.127 0.000 1.008 610 T CB 0.718 69.490 68.868 -0.160 0.000 1.289 610 T HN 0.431 nan 8.240 nan 0.000 0.514 611 L N 0.756 121.893 121.223 -0.143 0.000 2.331 611 L HA 0.599 4.938 4.340 -0.001 0.000 0.275 611 L C -0.568 176.209 176.870 -0.156 0.000 1.022 611 L CA -1.150 53.633 54.840 -0.096 0.000 0.812 611 L CB 1.060 43.121 42.059 0.005 0.000 1.257 611 L HN 0.604 nan 8.230 nan 0.000 0.435 612 F N 1.111 121.085 119.950 0.039 0.000 2.418 612 F HA 0.148 4.675 4.527 -0.001 0.000 0.341 612 F C 0.918 176.735 175.800 0.029 0.000 1.120 612 F CA -0.280 57.745 58.000 0.042 0.000 1.232 612 F CB 0.484 39.515 39.000 0.053 0.000 1.175 612 F HN 0.342 nan 8.300 nan 0.000 0.569 613 K N 2.802 123.328 120.400 0.210 0.000 2.228 613 K HA 0.294 4.614 4.320 -0.001 0.000 0.284 613 K C -0.646 176.022 176.600 0.113 0.000 1.088 613 K CA 0.205 56.563 56.287 0.118 0.000 0.941 613 K CB -0.048 32.502 32.500 0.083 0.000 1.158 613 K HN 0.704 nan 8.250 nan 0.000 0.438 614 S N 2.385 118.142 115.700 0.095 0.000 2.578 614 S HA 0.302 4.772 4.470 -0.001 0.000 0.285 614 S C 0.531 175.163 174.600 0.053 0.000 1.126 614 S CA -0.172 58.071 58.200 0.071 0.000 0.878 614 S CB 0.986 64.238 63.200 0.086 0.000 1.091 614 S HN 0.528 nan 8.310 nan 0.000 0.450 615 A N 2.752 125.591 122.820 0.031 0.000 1.915 615 A HA -0.068 4.251 4.320 -0.001 0.000 0.220 615 A C 1.634 179.233 177.584 0.025 0.000 1.198 615 A CA 2.099 54.150 52.037 0.022 0.000 0.647 615 A CB -0.821 18.186 19.000 0.011 0.000 0.825 615 A HN 0.891 nan 8.150 nan 0.000 0.456 616 L N -1.457 119.781 121.223 0.025 0.000 2.592 616 L HA 0.270 4.610 4.340 -0.001 0.000 0.227 616 L C 0.607 177.505 176.870 0.047 0.000 1.127 616 L CA 0.423 55.275 54.840 0.020 0.000 0.884 616 L CB -0.692 41.366 42.059 -0.002 0.000 1.065 616 L HN 0.433 nan 8.230 nan 0.000 0.457 617 M N 0.570 120.215 119.600 0.074 0.000 2.460 617 M HA -0.182 4.297 4.480 -0.001 0.000 0.182 617 M C -2.115 174.264 176.300 0.131 0.000 0.903 617 M CA -0.154 55.210 55.300 0.107 0.000 0.555 617 M CB -1.556 31.090 32.600 0.077 0.000 1.106 617 M HN -0.004 nan 8.290 nan 0.000 0.867 618 P HA 0.396 nan 4.420 nan 0.000 0.272 618 P C -0.450 177.047 177.300 0.329 0.000 1.240 618 P CA -0.114 63.114 63.100 0.214 0.000 0.791 618 P CB 0.766 32.579 31.700 0.189 0.000 0.978 619 A N 1.376 124.362 122.820 0.277 0.000 2.324 619 A HA 0.384 4.704 4.320 -0.001 0.000 0.330 619 A C -0.198 177.522 177.584 0.227 0.000 1.165 619 A CA -0.647 51.503 52.037 0.188 0.000 0.813 619 A CB 0.640 19.739 19.000 0.164 0.000 1.197 619 A HN 0.574 nan 8.150 nan 0.000 0.484 620 Q N 2.223 122.007 119.800 -0.027 0.000 2.360 620 Q HA 0.584 4.924 4.340 -0.001 0.000 0.254 620 Q C -1.752 174.214 176.000 -0.057 0.000 0.975 620 Q CA -0.227 55.533 55.803 -0.072 0.000 0.912 620 Q CB 0.465 28.948 28.738 -0.425 0.000 1.212 620 Q HN 0.703 nan 8.270 nan 0.000 0.452 621 L N 4.312 125.529 121.223 -0.011 0.000 2.333 621 L HA 0.491 4.831 4.340 -0.001 0.000 0.280 621 L C -0.909 175.917 176.870 -0.074 0.000 1.004 621 L CA -0.755 54.077 54.840 -0.013 0.000 0.820 621 L CB 1.231 43.275 42.059 -0.024 0.000 1.247 621 L HN 0.607 nan 8.230 nan 0.000 0.416 622 F N 2.631 122.541 119.950 -0.067 0.000 2.404 622 F HA 0.378 4.905 4.527 -0.000 0.000 0.358 622 F C 0.102 175.897 175.800 -0.008 0.000 1.120 622 F CA -0.100 57.910 58.000 0.017 0.000 1.144 622 F CB 0.611 39.600 39.000 -0.018 0.000 1.133 622 F HN 0.190 nan 8.300 nan 0.000 0.495 623 F N 3.060 123.149 119.950 0.232 0.000 2.412 623 F HA 0.287 4.814 4.527 -0.001 0.000 0.348 623 F C 0.623 176.518 175.800 0.158 0.000 1.102 623 F CA -0.625 57.479 58.000 0.173 0.000 1.196 623 F CB 0.763 39.828 39.000 0.107 0.000 1.144 623 F HN 0.245 nan 8.300 nan 0.000 0.541 624 K N 2.463 123.026 120.400 0.272 0.000 2.349 624 K HA 0.189 4.509 4.320 -0.001 0.000 0.289 624 K C 0.236 176.933 176.600 0.163 0.000 1.064 624 K CA -0.337 56.058 56.287 0.180 0.000 0.947 624 K CB 0.398 32.968 32.500 0.116 0.000 1.007 624 K HN 0.686 nan 8.250 nan 0.000 0.478 625 T N -1.198 113.438 114.554 0.137 0.000 2.902 625 T HA 0.087 4.437 4.350 -0.001 0.000 0.280 625 T C 1.252 175.981 174.700 0.048 0.000 0.992 625 T CA -0.826 61.324 62.100 0.084 0.000 1.015 625 T CB 1.574 70.501 68.868 0.098 0.000 1.044 625 T HN 0.667 nan 8.240 nan 0.000 0.520 626 E N 0.653 120.862 120.200 0.015 0.000 2.097 626 E HA -0.255 4.094 4.350 -0.001 0.000 0.196 626 E C 1.146 177.756 176.600 0.017 0.000 1.000 626 E CA 2.053 58.456 56.400 0.006 0.000 0.804 626 E CB -0.263 29.429 29.700 -0.013 0.000 0.740 626 E HN 0.925 nan 8.360 nan 0.000 0.454 627 D N -1.954 118.461 120.400 0.024 0.000 2.336 627 D HA 0.090 4.730 4.640 -0.001 0.000 0.229 627 D C 1.106 177.427 176.300 0.035 0.000 1.061 627 D CA 0.676 54.692 54.000 0.027 0.000 0.875 627 D CB 0.417 41.236 40.800 0.031 0.000 0.904 627 D HN 0.323 nan 8.370 nan 0.000 0.525 628 G N -1.191 107.633 108.800 0.041 0.000 2.175 628 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.244 628 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.244 628 G C 0.608 175.544 174.900 0.060 0.000 0.982 628 G CA -0.189 44.938 45.100 0.044 0.000 0.641 628 G HN 0.782 nan 8.290 nan 0.000 0.527 629 G N -0.558 108.289 108.800 0.079 0.000 2.532 629 G HA2 0.642 4.601 3.960 -0.001 0.000 0.291 629 G HA3 0.642 4.601 3.960 -0.001 0.000 0.291 629 G C -0.205 174.787 174.900 0.152 0.000 1.349 629 G CA -0.547 44.617 45.100 0.106 0.000 1.038 629 G HN 0.428 nan 8.290 nan 0.000 0.518 630 K N -0.924 119.592 120.400 0.193 0.000 2.259 630 K HA 0.401 4.721 4.320 -0.001 0.000 0.252 630 K C -1.983 174.815 176.600 0.331 0.000 0.936 630 K CA -0.658 55.803 56.287 0.290 0.000 0.810 630 K CB 2.696 35.399 32.500 0.338 0.000 1.143 630 K HN 0.441 nan 8.250 nan 0.000 0.427 631 Y N 3.845 124.287 120.300 0.237 0.000 2.402 631 Y HA 0.267 4.817 4.550 -0.001 0.000 0.325 631 Y C -2.697 173.272 175.900 0.115 0.000 1.009 631 Y CA -2.362 55.831 58.100 0.155 0.000 1.278 631 Y CB 1.360 39.875 38.460 0.093 0.000 1.105 631 Y HN 0.419 nan 8.280 nan 0.000 0.476 632 P HA 0.351 nan 4.420 nan 0.000 0.285 632 P C -1.078 176.200 177.300 -0.036 0.000 1.259 632 P CA -0.055 62.757 63.100 -0.479 0.000 0.794 632 P CB 2.555 33.568 31.700 -1.145 0.000 0.940 633 V N 3.824 123.817 119.914 0.133 0.000 3.001 633 V HA 0.446 4.565 4.120 -0.001 0.000 0.314 633 V C 0.282 176.584 176.094 0.348 0.000 1.099 633 V CA -0.945 61.588 62.300 0.389 0.000 0.989 633 V CB 2.315 34.536 31.823 0.663 0.000 1.040 633 V HN 0.367 nan 8.190 nan 0.000 0.434 634 I N 2.673 123.494 120.570 0.418 0.000 2.330 634 I HA 0.346 4.515 4.170 -0.001 0.000 0.289 634 I C -1.090 175.247 176.117 0.368 0.000 1.001 634 I CA -0.233 61.309 61.300 0.403 0.000 1.193 634 I CB 1.124 39.314 38.000 0.316 0.000 1.345 634 I HN 0.459 nan 8.210 nan 0.000 0.461 635 F N 7.550 127.582 119.950 0.136 0.000 2.405 635 F HA 0.389 4.915 4.527 -0.001 0.000 0.355 635 F C -0.080 175.726 175.800 0.010 0.000 1.121 635 F CA -0.594 57.367 58.000 -0.065 0.000 1.112 635 F CB 0.632 39.534 39.000 -0.165 0.000 1.126 635 F HN 0.295 nan 8.300 nan 0.000 0.481 636 K N 5.948 125.973 120.400 -0.625 0.000 2.265 636 K HA 0.202 4.521 4.320 -0.001 0.000 0.267 636 K C -0.963 175.286 176.600 -0.585 0.000 0.994 636 K CA -0.592 55.441 56.287 -0.422 0.000 0.860 636 K CB 1.369 33.755 32.500 -0.190 0.000 1.099 636 K HN 0.721 nan 8.250 nan 0.000 0.448 637 H N 0.263 119.069 119.070 -0.439 0.000 2.469 637 H HA 0.230 4.786 4.556 -0.001 0.000 0.342 637 H C 0.548 175.813 175.328 -0.105 0.000 1.115 637 H CA 0.417 56.314 56.048 -0.252 0.000 1.204 637 H CB 1.629 31.297 29.762 -0.156 0.000 1.492 637 H HN 0.919 nan 8.280 nan 0.000 0.499 638 G N 3.955 112.497 108.800 -0.430 0.000 2.182 638 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.248 638 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.248 638 G C -0.544 174.266 174.900 -0.151 0.000 1.042 638 G CA 0.450 45.372 45.100 -0.296 0.000 0.775 638 G HN 0.717 nan 8.290 nan 0.000 0.501 639 D N -0.358 119.965 120.400 -0.128 0.000 2.970 639 D HA 0.403 5.042 4.640 -0.001 0.000 0.230 639 D C -1.366 174.892 176.300 -0.069 0.000 1.276 639 D CA -0.529 53.423 54.000 -0.080 0.000 0.910 639 D CB 1.507 42.266 40.800 -0.067 0.000 1.590 639 D HN -0.029 nan 8.370 nan 0.000 0.551 640 D N 3.175 123.544 120.400 -0.051 0.000 2.325 640 D HA 0.163 4.803 4.640 -0.001 0.000 0.251 640 D C 0.731 177.025 176.300 -0.010 0.000 1.196 640 D CA -0.085 53.892 54.000 -0.038 0.000 0.866 640 D CB 0.840 41.619 40.800 -0.035 0.000 1.101 640 D HN 0.394 nan 8.370 nan 0.000 0.476 641 L N 3.809 125.036 121.223 0.005 0.000 2.700 641 L HA 0.245 4.584 4.340 -0.001 0.000 0.234 641 L C 2.116 179.017 176.870 0.052 0.000 1.156 641 L CA -0.262 54.605 54.840 0.044 0.000 0.946 641 L CB 0.100 42.199 42.059 0.068 0.000 1.216 641 L HN 0.211 nan 8.230 nan 0.000 0.493 642 R N 0.404 120.920 120.500 0.026 0.000 2.105 642 R HA -0.220 4.119 4.340 -0.001 0.000 0.239 642 R C 2.133 178.442 176.300 0.015 0.000 1.135 642 R CA 1.567 57.676 56.100 0.015 0.000 0.967 642 R CB -0.132 30.164 30.300 -0.006 0.000 0.861 642 R HN 0.402 nan 8.270 nan 0.000 0.442 643 Q N 0.913 120.732 119.800 0.032 0.000 2.016 643 Q HA -0.171 4.168 4.340 -0.001 0.000 0.200 643 Q C 1.517 177.561 176.000 0.074 0.000 0.978 643 Q CA 1.680 57.512 55.803 0.047 0.000 0.833 643 Q CB 0.054 28.826 28.738 0.057 0.000 0.895 643 Q HN 0.265 nan 8.270 nan 0.000 0.427 644 D N -0.051 120.427 120.400 0.130 0.000 2.158 644 D HA -0.237 4.403 4.640 -0.001 0.000 0.197 644 D C 1.802 178.158 176.300 0.093 0.000 0.995 644 D CA 1.336 55.454 54.000 0.197 0.000 0.846 644 D CB 0.002 40.956 40.800 0.258 0.000 0.941 644 D HN 0.450 nan 8.370 nan 0.000 0.456 645 Q N 0.134 119.974 119.800 0.067 0.000 2.079 645 Q HA -0.162 4.178 4.340 -0.001 0.000 0.200 645 Q C 2.328 178.304 176.000 -0.040 0.000 0.974 645 Q CA 0.727 56.553 55.803 0.039 0.000 0.840 645 Q CB -0.048 28.724 28.738 0.056 0.000 0.898 645 Q HN 0.140 nan 8.270 nan 0.000 0.430 646 L N 0.779 121.964 121.223 -0.064 0.000 1.970 646 L HA -0.209 4.131 4.340 -0.001 0.000 0.212 646 L C 2.138 178.919 176.870 -0.148 0.000 1.071 646 L CA 1.671 56.435 54.840 -0.127 0.000 0.751 646 L CB -0.713 41.277 42.059 -0.115 0.000 0.889 646 L HN 0.328 nan 8.230 nan 0.000 0.432 647 I N -0.623 119.865 120.570 -0.137 0.000 2.208 647 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 647 I C 2.482 178.409 176.117 -0.316 0.000 1.097 647 I CA 1.128 62.279 61.300 -0.248 0.000 1.363 647 I CB -1.101 36.660 38.000 -0.399 0.000 1.051 647 I HN 0.299 nan 8.210 nan 0.000 0.413 648 L N 0.602 121.665 121.223 -0.266 0.000 2.141 648 L HA -0.192 4.147 4.340 -0.001 0.000 0.209 648 L C 2.633 179.392 176.870 -0.184 0.000 1.094 648 L CA 1.674 56.355 54.840 -0.264 0.000 0.763 648 L CB -1.197 40.706 42.059 -0.260 0.000 0.908 648 L HN 0.446 nan 8.230 nan 0.000 0.437 649 Q N -0.398 119.315 119.800 -0.144 0.000 2.167 649 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 649 Q C 1.909 177.829 176.000 -0.135 0.000 0.970 649 Q CA 1.566 57.292 55.803 -0.128 0.000 0.855 649 Q CB -0.145 28.521 28.738 -0.120 0.000 0.911 649 Q HN 0.280 nan 8.270 nan 0.000 0.438 650 I N 0.546 121.025 120.570 -0.151 0.000 2.286 650 I HA -0.139 4.031 4.170 -0.001 0.000 0.245 650 I C 2.302 178.362 176.117 -0.094 0.000 1.104 650 I CA 0.966 62.198 61.300 -0.112 0.000 1.397 650 I CB -0.837 37.106 38.000 -0.095 0.000 1.072 650 I HN 0.336 nan 8.210 nan 0.000 0.417 651 I N 0.293 120.778 120.570 -0.141 0.000 2.286 651 I HA -0.305 3.864 4.170 -0.001 0.000 0.248 651 I C 2.791 178.835 176.117 -0.121 0.000 1.115 651 I CA 1.418 62.635 61.300 -0.138 0.000 1.392 651 I CB -0.286 37.612 38.000 -0.169 0.000 1.065 651 I HN 0.212 nan 8.210 nan 0.000 0.418 652 S N 1.188 116.814 115.700 -0.124 0.000 2.359 652 S HA -0.224 4.246 4.470 -0.001 0.000 0.224 652 S C 2.080 176.617 174.600 -0.105 0.000 1.035 652 S CA 1.532 59.667 58.200 -0.108 0.000 1.018 652 S CB -0.388 62.746 63.200 -0.110 0.000 0.876 652 S HN 0.353 nan 8.310 nan 0.000 0.448 653 L N 1.470 122.633 121.223 -0.101 0.000 1.994 653 L HA 0.020 4.360 4.340 -0.001 0.000 0.208 653 L C 2.523 179.330 176.870 -0.103 0.000 1.071 653 L CA 2.165 56.949 54.840 -0.095 0.000 0.745 653 L CB -0.641 41.385 42.059 -0.055 0.000 0.892 653 L HN 0.401 nan 8.230 nan 0.000 0.431 654 M N -0.817 118.739 119.600 -0.074 0.000 2.144 654 M HA -0.247 4.232 4.480 -0.001 0.000 0.260 654 M C 1.946 178.187 176.300 -0.097 0.000 1.067 654 M CA 2.142 57.403 55.300 -0.064 0.000 1.095 654 M CB -0.682 31.905 32.600 -0.022 0.000 1.365 654 M HN 0.388 nan 8.290 nan 0.000 0.406 655 D N 0.390 120.728 120.400 -0.103 0.000 2.084 655 D HA -0.119 4.521 4.640 -0.001 0.000 0.196 655 D C 1.801 178.039 176.300 -0.103 0.000 0.985 655 D CA 1.445 55.385 54.000 -0.099 0.000 0.826 655 D CB 0.143 40.890 40.800 -0.089 0.000 0.978 655 D HN 0.184 nan 8.370 nan 0.000 0.456 656 K N -0.380 119.953 120.400 -0.112 0.000 2.097 656 K HA -0.043 4.276 4.320 -0.001 0.000 0.206 656 K C 2.245 178.752 176.600 -0.155 0.000 1.049 656 K CA 0.800 57.017 56.287 -0.117 0.000 0.933 656 K CB -0.095 32.334 32.500 -0.118 0.000 0.717 656 K HN 0.211 nan 8.250 nan 0.000 0.442 657 L N 0.685 121.770 121.223 -0.230 0.000 2.046 657 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 657 L C 2.281 178.996 176.870 -0.258 0.000 1.077 657 L CA 1.056 55.657 54.840 -0.400 0.000 0.747 657 L CB -0.465 41.131 42.059 -0.773 0.000 0.896 657 L HN 0.166 nan 8.230 nan 0.000 0.432 658 L N -0.498 120.623 121.223 -0.171 0.000 1.994 658 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 658 L C 2.839 179.634 176.870 -0.126 0.000 1.071 658 L CA 1.381 56.145 54.840 -0.127 0.000 0.745 658 L CB -0.433 41.569 42.059 -0.094 0.000 0.892 658 L HN 0.182 nan 8.230 nan 0.000 0.431 659 R N -0.039 120.401 120.500 -0.100 0.000 2.159 659 R HA -0.182 4.157 4.340 -0.001 0.000 0.237 659 R C 2.240 178.505 176.300 -0.057 0.000 1.131 659 R CA 1.135 57.192 56.100 -0.073 0.000 0.982 659 R CB -0.182 30.083 30.300 -0.059 0.000 0.868 659 R HN 0.292 nan 8.270 nan 0.000 0.453 660 K N 0.554 120.918 120.400 -0.061 0.000 2.147 660 K HA -0.110 4.210 4.320 -0.001 0.000 0.205 660 K C 0.891 177.500 176.600 0.014 0.000 1.049 660 K CA 1.031 57.305 56.287 -0.020 0.000 0.936 660 K CB 0.208 32.698 32.500 -0.017 0.000 0.722 660 K HN 0.148 nan 8.250 nan 0.000 0.446 661 E N 1.013 121.216 120.200 0.005 0.000 2.335 661 E HA 0.025 4.375 4.350 -0.001 0.000 0.191 661 E C -0.478 176.098 176.600 -0.039 0.000 1.077 661 E CA -0.102 56.309 56.400 0.018 0.000 1.010 661 E CB 0.066 29.783 29.700 0.030 0.000 1.141 661 E HN 0.185 nan 8.360 nan 0.000 0.452 662 N N 0.787 119.467 118.700 -0.034 0.000 2.696 662 N HA -0.207 4.533 4.740 -0.001 0.000 0.249 662 N C -0.862 174.613 175.510 -0.059 0.000 1.090 662 N CA 0.498 53.529 53.050 -0.033 0.000 0.716 662 N CB -1.023 37.462 38.487 -0.004 0.000 1.020 662 N HN 0.199 nan 8.380 nan 0.000 0.548 663 L N 0.898 122.053 121.223 -0.114 0.000 2.298 663 L HA 0.432 4.772 4.340 -0.001 0.000 0.284 663 L C -0.423 176.399 176.870 -0.080 0.000 1.013 663 L CA -0.555 54.212 54.840 -0.122 0.000 0.824 663 L CB 1.442 43.345 42.059 -0.260 0.000 1.221 663 L HN 0.006 nan 8.230 nan 0.000 0.418 664 D N 4.520 124.896 120.400 -0.040 0.000 2.432 664 D HA 0.220 4.859 4.640 -0.001 0.000 0.265 664 D C 0.338 176.638 176.300 0.000 0.000 1.160 664 D CA -0.154 53.833 54.000 -0.021 0.000 0.911 664 D CB 0.546 41.340 40.800 -0.009 0.000 1.052 664 D HN 0.564 nan 8.370 nan 0.000 0.508 665 L N 2.624 123.845 121.223 -0.002 0.000 2.645 665 L HA 0.096 4.435 4.340 -0.001 0.000 0.235 665 L C 0.541 177.447 176.870 0.059 0.000 1.150 665 L CA -0.131 54.724 54.840 0.025 0.000 0.911 665 L CB -0.301 41.764 42.059 0.010 0.000 1.077 665 L HN 0.251 nan 8.230 nan 0.000 0.438 666 K N -0.132 120.300 120.400 0.054 0.000 3.117 666 K HA -0.161 4.159 4.320 -0.001 0.000 0.269 666 K C -0.122 176.562 176.600 0.140 0.000 1.098 666 K CA 0.662 57.002 56.287 0.088 0.000 0.785 666 K CB -2.421 30.145 32.500 0.109 0.000 1.242 666 K HN 0.339 nan 8.250 nan 0.000 0.491 667 L N -0.211 121.069 121.223 0.096 0.000 2.476 667 L HA 0.217 4.557 4.340 -0.001 0.000 0.255 667 L C 1.019 177.992 176.870 0.171 0.000 1.218 667 L CA 0.046 54.972 54.840 0.142 0.000 0.819 667 L CB 0.467 42.475 42.059 -0.086 0.000 1.119 667 L HN 0.007 nan 8.230 nan 0.000 0.485 668 T N 1.442 116.172 114.554 0.294 0.000 3.226 668 T HA 0.282 4.632 4.350 -0.001 0.000 0.378 668 T C -2.476 172.308 174.700 0.139 0.000 1.380 668 T CA -0.742 61.411 62.100 0.088 0.000 1.396 668 T CB 0.771 69.444 68.868 -0.326 0.000 1.044 668 T HN 0.323 nan 8.240 nan 0.000 0.586 669 P HA 0.247 nan 4.420 nan 0.000 0.219 669 P C -0.323 176.934 177.300 -0.070 0.000 1.847 669 P CA -0.691 62.371 63.100 -0.063 0.000 1.059 669 P CB -0.824 30.836 31.700 -0.066 0.000 1.900 670 Y N -0.277 120.045 120.300 0.037 0.000 2.550 670 Y HA 0.192 4.742 4.550 -0.001 0.000 0.343 670 Y C 0.572 176.530 175.900 0.096 0.000 1.245 670 Y CA -0.722 57.403 58.100 0.042 0.000 1.462 670 Y CB 0.238 38.712 38.460 0.023 0.000 1.340 670 Y HN -0.015 nan 8.280 nan 0.000 0.604 671 K N 2.138 122.707 120.400 0.281 0.000 2.237 671 K HA 0.563 4.883 4.320 -0.001 0.000 0.270 671 K C -1.244 175.543 176.600 0.312 0.000 1.015 671 K CA -0.786 55.638 56.287 0.228 0.000 0.949 671 K CB 1.599 34.235 32.500 0.226 0.000 0.976 671 K HN 0.584 nan 8.250 nan 0.000 0.472 672 V N 3.626 123.684 119.914 0.241 0.000 2.610 672 V HA 0.236 4.356 4.120 -0.001 0.000 0.298 672 V C -1.364 174.875 176.094 0.240 0.000 1.067 672 V CA -0.848 61.607 62.300 0.259 0.000 0.894 672 V CB 1.602 33.555 31.823 0.217 0.000 1.015 672 V HN 0.568 nan 8.190 nan 0.000 0.432 673 L N 4.480 125.852 121.223 0.249 0.000 2.376 673 L HA 0.912 5.252 4.340 -0.001 0.000 0.275 673 L C 0.391 177.383 176.870 0.202 0.000 0.987 673 L CA -0.161 54.813 54.840 0.223 0.000 0.828 673 L CB 1.724 43.832 42.059 0.082 0.000 1.249 673 L HN 0.773 nan 8.230 nan 0.000 0.409 674 A N 2.541 125.478 122.820 0.194 0.000 2.444 674 A HA 0.412 4.732 4.320 -0.001 0.000 0.273 674 A C 1.074 178.741 177.584 0.139 0.000 1.136 674 A CA 0.363 52.486 52.037 0.143 0.000 0.799 674 A CB -0.175 18.894 19.000 0.116 0.000 1.081 674 A HN 0.884 nan 8.150 nan 0.000 0.509 675 T N -0.363 114.263 114.554 0.120 0.000 3.129 675 T HA 0.356 4.706 4.350 -0.001 0.000 0.251 675 T C 0.649 175.472 174.700 0.204 0.000 1.117 675 T CA 0.572 62.760 62.100 0.146 0.000 1.034 675 T CB -0.345 68.689 68.868 0.278 0.000 0.968 675 T HN 1.366 nan 8.240 nan 0.000 0.526 676 S N 0.216 115.885 115.700 -0.052 0.000 2.655 676 S HA 0.277 4.746 4.470 -0.001 0.000 0.263 676 S C 0.749 175.245 174.600 -0.173 0.000 1.091 676 S CA 0.135 58.227 58.200 -0.179 0.000 0.865 676 S CB 0.445 63.299 63.200 -0.577 0.000 1.146 676 S HN 0.337 nan 8.310 nan 0.000 0.482 677 T N -0.437 114.033 114.554 -0.140 0.000 3.085 677 T HA 0.300 4.650 4.350 -0.001 0.000 0.263 677 T C 1.097 175.728 174.700 -0.116 0.000 1.127 677 T CA 0.798 62.841 62.100 -0.094 0.000 1.103 677 T CB -0.185 68.650 68.868 -0.055 0.000 0.921 677 T HN 0.473 nan 8.240 nan 0.000 0.510 678 K N 0.268 120.555 120.400 -0.189 0.000 2.440 678 K HA 0.162 4.482 4.320 -0.001 0.000 0.207 678 K C -0.359 176.177 176.600 -0.106 0.000 1.112 678 K CA -0.090 56.114 56.287 -0.138 0.000 1.036 678 K CB 0.661 33.107 32.500 -0.090 0.000 0.935 678 K HN 0.749 nan 8.250 nan 0.000 0.564 679 H N -2.974 116.078 119.070 -0.030 0.000 3.008 679 H HA 0.746 5.302 4.556 -0.001 0.000 0.354 679 H C -0.258 175.032 175.328 -0.063 0.000 1.252 679 H CA -0.872 55.116 56.048 -0.101 0.000 1.117 679 H CB 1.846 31.595 29.762 -0.021 0.000 1.857 679 H HN 0.035 nan 8.280 nan 0.000 0.547 680 G N -0.391 108.391 108.800 -0.031 0.000 2.368 680 G HA2 0.395 4.355 3.960 -0.001 0.000 0.293 680 G HA3 0.395 4.355 3.960 -0.001 0.000 0.293 680 G C -1.963 172.958 174.900 0.035 0.000 1.467 680 G CA -1.145 44.011 45.100 0.094 0.000 0.804 680 G HN 0.417 nan 8.290 nan 0.000 0.535 681 F N -0.221 119.856 119.950 0.212 0.000 2.408 681 F HA 0.876 5.403 4.527 -0.001 0.000 0.325 681 F C 0.698 176.621 175.800 0.205 0.000 1.082 681 F CA -0.689 57.468 58.000 0.261 0.000 1.032 681 F CB 2.236 41.355 39.000 0.198 0.000 1.259 681 F HN 0.390 nan 8.300 nan 0.000 0.503 682 M N 1.587 121.458 119.600 0.452 0.000 2.325 682 M HA 0.189 4.669 4.480 -0.001 0.000 0.285 682 M C -1.287 175.231 176.300 0.363 0.000 1.119 682 M CA -0.574 54.947 55.300 0.369 0.000 0.959 682 M CB 2.181 34.951 32.600 0.283 0.000 1.737 682 M HN 0.716 nan 8.290 nan 0.000 0.486 683 Q N 3.193 123.206 119.800 0.356 0.000 2.313 683 Q HA 0.224 4.564 4.340 -0.001 0.000 0.266 683 Q C -1.637 174.454 176.000 0.152 0.000 0.989 683 Q CA -0.152 55.828 55.803 0.294 0.000 0.890 683 Q CB 0.843 29.755 28.738 0.290 0.000 1.200 683 Q HN 0.645 nan 8.270 nan 0.000 0.396 684 F N 6.078 126.020 119.950 -0.013 0.000 2.421 684 F HA 0.319 4.845 4.527 -0.001 0.000 0.358 684 F C -0.710 175.033 175.800 -0.095 0.000 1.115 684 F CA -0.711 57.255 58.000 -0.057 0.000 1.160 684 F CB 0.517 39.484 39.000 -0.056 0.000 1.123 684 F HN 0.465 nan 8.300 nan 0.000 0.508 685 I N 6.401 126.630 120.570 -0.568 0.000 2.330 685 I HA 0.161 4.331 4.170 -0.001 0.000 0.289 685 I C 0.130 175.960 176.117 -0.479 0.000 1.001 685 I CA -0.590 60.481 61.300 -0.382 0.000 1.193 685 I CB 1.156 38.955 38.000 -0.336 0.000 1.345 685 I HN 0.600 nan 8.210 nan 0.000 0.461 686 Q N 5.152 124.852 119.800 -0.166 0.000 2.262 686 Q HA 0.141 4.480 4.340 -0.001 0.000 0.298 686 Q C -0.342 175.664 176.000 0.011 0.000 1.083 686 Q CA 0.608 56.412 55.803 0.001 0.000 0.962 686 Q CB 0.579 29.403 28.738 0.144 0.000 1.104 686 Q HN 0.920 nan 8.270 nan 0.000 0.376 687 S N 1.058 116.768 115.700 0.017 0.000 2.645 687 S HA 0.568 5.037 4.470 -0.001 0.000 0.268 687 S C -1.360 173.234 174.600 -0.009 0.000 1.110 687 S CA -1.050 57.184 58.200 0.057 0.000 0.823 687 S CB 1.107 64.393 63.200 0.144 0.000 1.091 687 S HN 0.332 nan 8.310 nan 0.000 0.466 688 V N 1.320 121.190 119.914 -0.074 0.000 2.760 688 V HA 0.650 4.769 4.120 -0.001 0.000 0.309 688 V C -2.810 173.134 176.094 -0.251 0.000 1.077 688 V CA -1.956 60.258 62.300 -0.144 0.000 0.910 688 V CB 1.906 33.612 31.823 -0.195 0.000 1.008 688 V HN 0.834 nan 8.190 nan 0.000 0.424 689 P HA 0.259 nan 4.420 nan 0.000 0.279 689 P C 0.901 178.032 177.300 -0.281 0.000 1.239 689 P CA -0.124 62.816 63.100 -0.265 0.000 0.789 689 P CB 1.159 32.743 31.700 -0.193 0.000 0.933 690 V N 2.438 122.175 119.914 -0.296 0.000 2.469 690 V HA -0.285 3.835 4.120 -0.001 0.000 0.251 690 V C 2.341 178.302 176.094 -0.221 0.000 1.064 690 V CA 2.624 64.751 62.300 -0.287 0.000 1.066 690 V CB -1.578 30.094 31.823 -0.251 0.000 0.667 690 V HN 0.673 nan 8.190 nan 0.000 0.461 691 A N -0.638 122.079 122.820 -0.171 0.000 1.940 691 A HA -0.293 4.027 4.320 -0.001 0.000 0.219 691 A C 2.292 179.803 177.584 -0.122 0.000 1.176 691 A CA 2.178 54.142 52.037 -0.122 0.000 0.631 691 A CB -0.409 18.540 19.000 -0.085 0.000 0.814 691 A HN 0.617 nan 8.150 nan 0.000 0.446 692 E N -0.609 119.506 120.200 -0.142 0.000 2.112 692 E HA -0.047 4.303 4.350 -0.001 0.000 0.190 692 E C 1.958 178.471 176.600 -0.146 0.000 0.979 692 E CA 0.822 57.151 56.400 -0.118 0.000 0.814 692 E CB -0.032 29.607 29.700 -0.102 0.000 0.762 692 E HN 0.336 nan 8.360 nan 0.000 0.460 693 V N 1.356 121.112 119.914 -0.263 0.000 2.252 693 V HA -0.310 3.810 4.120 -0.001 0.000 0.249 693 V C 2.355 178.339 176.094 -0.182 0.000 1.056 693 V CA 1.475 63.565 62.300 -0.350 0.000 1.022 693 V CB -0.490 30.962 31.823 -0.619 0.000 0.641 693 V HN 0.290 nan 8.190 nan 0.000 0.445 694 L N 0.148 121.269 121.223 -0.169 0.000 1.989 694 L HA -0.214 4.126 4.340 -0.001 0.000 0.211 694 L C 2.226 179.052 176.870 -0.073 0.000 1.071 694 L CA 2.427 57.200 54.840 -0.112 0.000 0.749 694 L CB -1.115 40.878 42.059 -0.109 0.000 0.890 694 L HN 0.456 nan 8.230 nan 0.000 0.431 695 D N -1.580 118.777 120.400 -0.071 0.000 2.117 695 D HA -0.172 4.467 4.640 -0.001 0.000 0.197 695 D C 2.118 178.404 176.300 -0.024 0.000 0.987 695 D CA 1.649 55.621 54.000 -0.046 0.000 0.829 695 D CB 0.166 40.939 40.800 -0.045 0.000 0.961 695 D HN 0.448 nan 8.370 nan 0.000 0.460 696 T N -3.140 111.406 114.554 -0.014 0.000 3.035 696 T HA 0.072 4.421 4.350 -0.001 0.000 0.259 696 T C 1.348 176.074 174.700 0.042 0.000 1.078 696 T CA 0.473 62.587 62.100 0.024 0.000 1.132 696 T CB 0.157 69.061 68.868 0.058 0.000 0.900 696 T HN -0.024 nan 8.240 nan 0.000 0.480 697 E N 0.042 120.264 120.200 0.038 0.000 2.508 697 E HA 0.327 4.677 4.350 -0.001 0.000 0.217 697 E C 1.630 178.236 176.600 0.009 0.000 0.896 697 E CA 0.702 57.132 56.400 0.051 0.000 1.118 697 E CB 0.834 30.618 29.700 0.139 0.000 1.133 697 E HN 0.586 nan 8.360 nan 0.000 0.526 698 G N 1.838 110.626 108.800 -0.019 0.000 2.308 698 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.221 698 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.221 698 G C 0.368 175.238 174.900 -0.049 0.000 1.032 698 G CA 0.350 45.431 45.100 -0.032 0.000 0.623 698 G HN 0.565 nan 8.290 nan 0.000 0.506 699 S N -1.118 114.548 115.700 -0.056 0.000 2.565 699 S HA 0.640 5.109 4.470 -0.001 0.000 0.274 699 S C 0.813 175.337 174.600 -0.127 0.000 1.144 699 S CA -0.127 58.024 58.200 -0.082 0.000 0.849 699 S CB 1.042 64.212 63.200 -0.051 0.000 1.103 699 S HN 0.488 nan 8.310 nan 0.000 0.455 700 I N 1.391 121.834 120.570 -0.212 0.000 2.194 700 I HA -0.289 3.880 4.170 -0.001 0.000 0.246 700 I C 2.846 178.720 176.117 -0.405 0.000 1.093 700 I CA 1.635 62.688 61.300 -0.411 0.000 1.355 700 I CB -0.404 37.310 38.000 -0.477 0.000 1.046 700 I HN 0.727 nan 8.210 nan 0.000 0.413 701 Q N 0.338 120.034 119.800 -0.174 0.000 2.096 701 Q HA -0.206 4.134 4.340 -0.001 0.000 0.204 701 Q C 2.048 178.058 176.000 0.017 0.000 0.982 701 Q CA 1.394 57.183 55.803 -0.024 0.000 0.850 701 Q CB -0.328 28.426 28.738 0.027 0.000 0.901 701 Q HN 0.568 nan 8.270 nan 0.000 0.422 702 N N 0.577 119.277 118.700 0.000 0.000 2.069 702 N HA -0.156 4.583 4.740 -0.001 0.000 0.191 702 N C 1.540 177.073 175.510 0.038 0.000 1.031 702 N CA 0.909 53.968 53.050 0.014 0.000 0.852 702 N CB -0.585 37.908 38.487 0.011 0.000 1.018 702 N HN 0.161 nan 8.380 nan 0.000 0.423 703 F N 1.265 121.147 119.950 -0.115 0.000 2.065 703 F HA -0.220 4.307 4.527 -0.001 0.000 0.298 703 F C 1.967 177.827 175.800 0.099 0.000 1.112 703 F CA 1.412 59.383 58.000 -0.048 0.000 1.212 703 F CB -0.444 38.447 39.000 -0.181 0.000 0.975 703 F HN -0.098 nan 8.300 nan 0.000 0.476 704 F N 0.639 120.599 119.950 0.018 0.000 2.234 704 F HA -0.056 4.471 4.527 -0.001 0.000 0.299 704 F C 2.548 178.287 175.800 -0.101 0.000 1.087 704 F CA 1.176 59.132 58.000 -0.072 0.000 1.340 704 F CB -1.218 37.766 39.000 -0.026 0.000 1.031 704 F HN -0.052 nan 8.300 nan 0.000 0.500 705 R N 0.093 120.648 120.500 0.091 0.000 2.092 705 R HA -0.146 4.194 4.340 -0.001 0.000 0.231 705 R C 2.269 178.510 176.300 -0.099 0.000 1.119 705 R CA 1.284 57.385 56.100 0.001 0.000 0.970 705 R CB -0.275 30.023 30.300 -0.005 0.000 0.864 705 R HN 0.202 nan 8.270 nan 0.000 0.440 706 K N -0.190 120.080 120.400 -0.216 0.000 2.103 706 K HA -0.122 4.197 4.320 -0.001 0.000 0.204 706 K C 1.165 177.417 176.600 -0.581 0.000 1.052 706 K CA 1.329 57.356 56.287 -0.433 0.000 0.945 706 K CB 0.152 32.285 32.500 -0.610 0.000 0.722 706 K HN 0.208 nan 8.250 nan 0.000 0.443 707 Y N -1.244 118.938 120.300 -0.197 0.000 2.497 707 Y HA 0.281 4.831 4.550 -0.001 0.000 0.265 707 Y C 0.741 176.577 175.900 -0.107 0.000 1.111 707 Y CA -0.039 57.949 58.100 -0.187 0.000 1.288 707 Y CB 1.050 39.311 38.460 -0.331 0.000 1.082 707 Y HN 0.037 nan 8.280 nan 0.000 0.536 708 A N 0.812 123.648 122.820 0.026 0.000 3.234 708 A HA 0.354 4.673 4.320 -0.001 0.000 0.247 708 A C -2.835 174.741 177.584 -0.013 0.000 0.938 708 A CA -1.202 50.836 52.037 0.002 0.000 1.039 708 A CB -0.354 18.623 19.000 -0.038 0.000 1.197 708 A HN -0.130 nan 8.150 nan 0.000 0.498 709 P HA 0.273 nan 4.420 nan 0.000 0.271 709 P C -0.155 177.137 177.300 -0.013 0.000 1.218 709 P CA 0.424 63.513 63.100 -0.020 0.000 0.780 709 P CB 1.451 33.131 31.700 -0.033 0.000 0.901 710 S N 1.092 116.787 115.700 -0.008 0.000 2.545 710 S HA 0.128 4.598 4.470 -0.001 0.000 0.259 710 S C 0.824 175.424 174.600 -0.001 0.000 1.092 710 S CA -0.537 57.660 58.200 -0.005 0.000 1.054 710 S CB 0.310 63.507 63.200 -0.006 0.000 1.146 710 S HN 0.358 nan 8.310 nan 0.000 0.447 711 E N 3.091 123.291 120.200 -0.001 0.000 2.095 711 E HA -0.227 4.123 4.350 -0.001 0.000 0.212 711 E C 0.872 177.475 176.600 0.005 0.000 1.044 711 E CA 2.005 58.405 56.400 0.001 0.000 0.857 711 E CB -0.068 29.632 29.700 0.001 0.000 0.764 711 E HN 0.658 nan 8.360 nan 0.000 0.462 712 N N 0.110 118.813 118.700 0.005 0.000 2.398 712 N HA 0.044 4.784 4.740 -0.001 0.000 0.188 712 N C 0.255 175.772 175.510 0.011 0.000 1.122 712 N CA 0.538 53.593 53.050 0.008 0.000 0.866 712 N CB 0.402 38.893 38.487 0.008 0.000 0.970 712 N HN 0.078 nan 8.380 nan 0.000 0.462 713 G N 1.327 110.133 108.800 0.010 0.000 2.562 713 G HA2 0.315 4.275 3.960 -0.001 0.000 0.275 713 G HA3 0.315 4.275 3.960 -0.001 0.000 0.275 713 G C -2.550 172.362 174.900 0.021 0.000 1.196 713 G CA -0.998 44.110 45.100 0.013 0.000 0.908 713 G HN -0.037 nan 8.290 nan 0.000 0.524 714 P HA 0.094 nan 4.420 nan 0.000 0.271 714 P C -0.215 177.114 177.300 0.049 0.000 1.233 714 P CA 0.042 63.166 63.100 0.041 0.000 0.764 714 P CB 0.328 32.060 31.700 0.053 0.000 0.825 715 N N 2.658 121.384 118.700 0.044 0.000 2.693 715 N HA -0.210 4.530 4.740 -0.001 0.000 0.249 715 N C 0.784 176.317 175.510 0.038 0.000 1.119 715 N CA 1.072 54.148 53.050 0.044 0.000 0.717 715 N CB -1.620 36.903 38.487 0.059 0.000 1.071 715 N HN 0.867 nan 8.380 nan 0.000 0.555 716 G N -0.766 108.050 108.800 0.028 0.000 2.182 716 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.248 716 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.248 716 G C -0.130 174.781 174.900 0.020 0.000 1.042 716 G CA 0.375 45.487 45.100 0.019 0.000 0.775 716 G HN 0.488 nan 8.290 nan 0.000 0.501 717 I N 0.471 121.054 120.570 0.022 0.000 2.533 717 I HA 0.405 4.575 4.170 -0.001 0.000 0.290 717 I C 0.915 177.021 176.117 -0.017 0.000 1.056 717 I CA -0.898 60.409 61.300 0.012 0.000 1.057 717 I CB 2.038 40.062 38.000 0.039 0.000 1.240 717 I HN 0.223 nan 8.210 nan 0.000 0.423 718 S N 4.536 120.214 115.700 -0.038 0.000 2.931 718 S HA -0.068 4.402 4.470 -0.001 0.000 0.342 718 S C 1.386 175.957 174.600 -0.049 0.000 1.220 718 S CA 0.408 58.582 58.200 -0.043 0.000 1.045 718 S CB 0.631 63.797 63.200 -0.056 0.000 0.758 718 S HN 0.770 nan 8.310 nan 0.000 0.508 719 A N 4.753 127.561 122.820 -0.021 0.000 1.908 719 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 719 A C 2.081 179.656 177.584 -0.014 0.000 1.181 719 A CA 1.899 53.932 52.037 -0.007 0.000 0.627 719 A CB -0.976 18.029 19.000 0.007 0.000 0.818 719 A HN 0.997 nan 8.150 nan 0.000 0.445 720 E N -0.552 119.636 120.200 -0.020 0.000 2.049 720 E HA -0.179 4.171 4.350 -0.001 0.000 0.198 720 E C 1.968 178.542 176.600 -0.044 0.000 1.007 720 E CA 1.666 58.055 56.400 -0.019 0.000 0.809 720 E CB -0.192 29.498 29.700 -0.016 0.000 0.749 720 E HN 0.329 nan 8.360 nan 0.000 0.450 721 V N 0.703 120.554 119.914 -0.104 0.000 2.295 721 V HA -0.277 3.843 4.120 -0.001 0.000 0.246 721 V C 2.369 178.319 176.094 -0.240 0.000 1.049 721 V CA 1.892 64.061 62.300 -0.218 0.000 1.024 721 V CB -0.358 31.245 31.823 -0.368 0.000 0.648 721 V HN 0.400 nan 8.190 nan 0.000 0.447 722 M N 0.408 119.904 119.600 -0.173 0.000 2.159 722 M HA -0.158 4.322 4.480 -0.001 0.000 0.263 722 M C 1.643 177.998 176.300 0.092 0.000 1.063 722 M CA 1.976 57.265 55.300 -0.018 0.000 1.110 722 M CB -0.827 31.789 32.600 0.026 0.000 1.374 722 M HN 0.383 nan 8.290 nan 0.000 0.411 723 D N -1.410 119.017 120.400 0.046 0.000 2.144 723 D HA -0.120 4.520 4.640 -0.001 0.000 0.200 723 D C 1.516 177.865 176.300 0.082 0.000 0.978 723 D CA 1.625 55.663 54.000 0.063 0.000 0.833 723 D CB 0.131 40.955 40.800 0.040 0.000 0.961 723 D HN 0.396 nan 8.370 nan 0.000 0.470 724 T N -1.069 113.531 114.554 0.076 0.000 2.857 724 T HA -0.126 4.224 4.350 -0.001 0.000 0.266 724 T C 1.516 176.329 174.700 0.188 0.000 1.048 724 T CA 0.758 62.923 62.100 0.108 0.000 1.139 724 T CB -0.450 68.467 68.868 0.081 0.000 0.874 724 T HN 0.310 nan 8.240 nan 0.000 0.455 725 Y N 1.540 121.873 120.300 0.055 0.000 2.114 725 Y HA -0.188 4.362 4.550 -0.001 0.000 0.284 725 Y C 2.381 178.370 175.900 0.149 0.000 1.143 725 Y CA 0.931 59.114 58.100 0.139 0.000 1.135 725 Y CB -0.350 38.207 38.460 0.162 0.000 0.980 725 Y HN -0.084 nan 8.280 nan 0.000 0.499 726 V N 0.927 120.866 119.914 0.041 0.000 2.282 726 V HA -0.368 3.752 4.120 -0.001 0.000 0.249 726 V C 2.152 178.284 176.094 0.064 0.000 1.057 726 V CA 2.444 64.739 62.300 -0.009 0.000 1.032 726 V CB -0.617 31.264 31.823 0.096 0.000 0.645 726 V HN 0.385 nan 8.190 nan 0.000 0.447 727 K N 0.694 121.145 120.400 0.086 0.000 2.001 727 K HA -0.147 4.172 4.320 -0.001 0.000 0.208 727 K C 2.443 179.120 176.600 0.129 0.000 1.048 727 K CA 1.775 58.122 56.287 0.099 0.000 0.932 727 K CB -0.462 32.087 32.500 0.081 0.000 0.715 727 K HN 0.620 nan 8.250 nan 0.000 0.437 728 S N 0.747 116.541 115.700 0.157 0.000 2.382 728 S HA -0.192 4.277 4.470 -0.001 0.000 0.228 728 S C 2.329 177.112 174.600 0.304 0.000 1.027 728 S CA 1.255 59.615 58.200 0.267 0.000 0.991 728 S CB -0.876 62.528 63.200 0.341 0.000 0.823 728 S HN 0.324 nan 8.310 nan 0.000 0.469 729 C N 2.107 121.480 119.300 0.122 0.000 2.413 729 C HA 0.093 4.552 4.460 -0.001 0.000 0.276 729 C C 3.373 178.567 174.990 0.341 0.000 1.236 729 C CA 0.778 59.853 59.018 0.095 0.000 1.735 729 C CB -1.747 25.807 27.740 -0.310 0.000 2.031 729 C HN 0.776 nan 8.230 nan 0.000 0.474 730 A N 0.462 123.509 122.820 0.378 0.000 1.902 730 A HA 0.046 4.366 4.320 -0.001 0.000 0.217 730 A C 2.379 180.052 177.584 0.148 0.000 1.181 730 A CA 2.175 54.386 52.037 0.290 0.000 0.623 730 A CB -1.269 17.792 19.000 0.102 0.000 0.818 730 A HN 0.564 nan 8.150 nan 0.000 0.443 731 G N -1.666 107.207 108.800 0.122 0.000 2.433 731 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.216 731 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.216 731 G C 1.480 176.378 174.900 -0.004 0.000 1.186 731 G CA 1.219 46.330 45.100 0.018 0.000 0.779 731 G HN 0.516 nan 8.290 nan 0.000 0.543 732 Y N -0.144 120.254 120.300 0.162 0.000 2.293 732 Y HA -0.074 4.476 4.550 -0.001 0.000 0.291 732 Y C 3.022 178.975 175.900 0.088 0.000 1.137 732 Y CA 0.809 58.996 58.100 0.146 0.000 1.202 732 Y CB -0.598 38.046 38.460 0.307 0.000 0.990 732 Y HN 0.329 nan 8.280 nan 0.000 0.537 733 C N -1.042 118.434 119.300 0.292 0.000 2.440 733 C HA -0.084 4.376 4.460 -0.001 0.000 0.278 733 C C 2.592 177.662 174.990 0.134 0.000 1.295 733 C CA 1.041 60.194 59.018 0.225 0.000 1.738 733 C CB -1.211 26.719 27.740 0.316 0.000 1.987 733 C HN 0.340 nan 8.230 nan 0.000 0.492 734 V N 0.918 120.893 119.914 0.102 0.000 2.407 734 V HA -0.077 4.043 4.120 -0.001 0.000 0.245 734 V C 2.306 178.498 176.094 0.163 0.000 1.041 734 V CA 2.130 64.493 62.300 0.104 0.000 1.040 734 V CB -0.498 31.388 31.823 0.105 0.000 0.671 734 V HN 0.533 nan 8.190 nan 0.000 0.455 735 I N 1.084 121.708 120.570 0.091 0.000 2.252 735 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 735 I C 2.703 178.840 176.117 0.034 0.000 1.102 735 I CA 1.980 63.306 61.300 0.043 0.000 1.385 735 I CB -0.707 37.265 38.000 -0.046 0.000 1.064 735 I HN 0.494 nan 8.210 nan 0.000 0.414 736 T N -1.231 113.352 114.554 0.049 0.000 2.867 736 T HA -0.276 4.073 4.350 -0.001 0.000 0.268 736 T C 1.874 176.607 174.700 0.056 0.000 1.057 736 T CA 1.250 63.365 62.100 0.025 0.000 1.136 736 T CB -0.848 67.975 68.868 -0.075 0.000 0.874 736 T HN 0.472 nan 8.240 nan 0.000 0.466 737 Y N 2.106 122.385 120.300 -0.035 0.000 2.181 737 Y HA 0.031 4.581 4.550 -0.001 0.000 0.288 737 Y C 2.008 177.860 175.900 -0.080 0.000 1.146 737 Y CA 0.810 58.876 58.100 -0.056 0.000 1.164 737 Y CB -0.457 37.947 38.460 -0.093 0.000 0.982 737 Y HN 0.202 nan 8.280 nan 0.000 0.515 738 I N 0.017 120.399 120.570 -0.314 0.000 2.286 738 I HA -0.258 3.912 4.170 -0.001 0.000 0.245 738 I C 1.921 177.814 176.117 -0.374 0.000 1.104 738 I CA 1.175 62.174 61.300 -0.502 0.000 1.397 738 I CB -0.268 37.534 38.000 -0.331 0.000 1.072 738 I HN 0.253 nan 8.210 nan 0.000 0.417 739 L N 0.630 121.738 121.223 -0.192 0.000 2.599 739 L HA 0.153 4.492 4.340 -0.001 0.000 0.230 739 L C 1.271 178.083 176.870 -0.097 0.000 1.141 739 L CA 0.301 55.069 54.840 -0.120 0.000 0.877 739 L CB -0.600 41.444 42.059 -0.026 0.000 1.009 739 L HN 0.457 nan 8.230 nan 0.000 0.447 740 G N 1.142 109.868 108.800 -0.124 0.000 2.323 740 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.292 740 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.292 740 G C 0.064 174.982 174.900 0.030 0.000 1.040 740 G CA 0.063 45.122 45.100 -0.067 0.000 0.942 740 G HN 0.122 nan 8.290 nan 0.000 0.506 741 V N 0.236 120.191 119.914 0.068 0.000 2.530 741 V HA 0.659 4.778 4.120 -0.001 0.000 0.282 741 V C 1.297 177.467 176.094 0.127 0.000 1.048 741 V CA 0.519 62.909 62.300 0.151 0.000 0.997 741 V CB 1.207 33.161 31.823 0.219 0.000 0.987 741 V HN 0.737 nan 8.190 nan 0.000 0.477 742 G N 2.133 111.023 108.800 0.149 0.000 2.887 742 G HA2 0.521 4.481 3.960 -0.001 0.000 0.277 742 G HA3 0.521 4.481 3.960 -0.001 0.000 0.277 742 G C -0.017 174.875 174.900 -0.013 0.000 1.346 742 G CA -0.141 44.995 45.100 0.060 0.000 1.058 742 G HN 0.739 nan 8.290 nan 0.000 0.535 743 D N -1.661 118.636 120.400 -0.171 0.000 2.708 743 D HA -0.149 4.490 4.640 -0.001 0.000 0.236 743 D C 0.371 176.623 176.300 -0.081 0.000 1.146 743 D CA 0.504 54.391 54.000 -0.188 0.000 0.662 743 D CB -0.559 40.068 40.800 -0.289 0.000 1.059 743 D HN 0.301 nan 8.370 nan 0.000 0.428 744 R N 0.751 121.215 120.500 -0.061 0.000 2.340 744 R HA 0.605 4.945 4.340 -0.001 0.000 0.300 744 R C 0.101 176.358 176.300 -0.073 0.000 1.069 744 R CA -0.082 55.958 56.100 -0.100 0.000 0.984 744 R CB 0.743 31.051 30.300 0.013 0.000 1.003 744 R HN 0.582 nan 8.270 nan 0.000 0.459 745 H N -1.168 117.847 119.070 -0.091 0.000 2.981 745 H HA 0.256 4.812 4.556 -0.001 0.000 0.327 745 H C -0.200 175.044 175.328 -0.140 0.000 1.342 745 H CA -0.935 55.049 56.048 -0.107 0.000 1.123 745 H CB 0.430 30.131 29.762 -0.102 0.000 1.851 745 H HN 0.362 nan 8.280 nan 0.000 0.531 746 L N 0.104 121.357 121.223 0.051 0.000 2.642 746 L HA -0.049 4.290 4.340 -0.001 0.000 0.236 746 L C 0.398 177.236 176.870 -0.055 0.000 1.169 746 L CA 0.952 55.757 54.840 -0.059 0.000 0.851 746 L CB -0.280 41.736 42.059 -0.073 0.000 0.968 746 L HN 0.653 nan 8.230 nan 0.000 0.453 747 D N -0.495 119.972 120.400 0.112 0.000 2.392 747 D HA -0.013 4.626 4.640 -0.001 0.000 0.206 747 D C 1.414 177.583 176.300 -0.219 0.000 1.046 747 D CA 0.424 54.420 54.000 -0.008 0.000 0.865 747 D CB 0.215 41.099 40.800 0.141 0.000 0.969 747 D HN 0.458 nan 8.370 nan 0.000 0.509 748 N N 0.135 118.547 118.700 -0.479 0.000 2.446 748 N HA 0.005 4.745 4.740 -0.001 0.000 0.179 748 N C 0.262 175.454 175.510 -0.530 0.000 1.054 748 N CA 0.035 52.782 53.050 -0.505 0.000 0.905 748 N CB 0.533 38.665 38.487 -0.591 0.000 0.973 748 N HN -0.025 nan 8.380 nan 0.000 0.448 749 L N 1.739 122.642 121.223 -0.534 0.000 2.261 749 L HA 0.317 4.657 4.340 -0.001 0.000 0.289 749 L C -1.167 175.350 176.870 -0.587 0.000 1.059 749 L CA -0.362 54.094 54.840 -0.639 0.000 0.816 749 L CB 0.588 42.340 42.059 -0.512 0.000 1.191 749 L HN -0.036 nan 8.230 nan 0.000 0.431 750 L N 5.199 125.929 121.223 -0.821 0.000 2.334 750 L HA 0.602 4.942 4.340 -0.001 0.000 0.273 750 L C -0.774 175.729 176.870 -0.611 0.000 1.013 750 L CA -0.424 53.925 54.840 -0.818 0.000 0.816 750 L CB 1.792 43.136 42.059 -1.193 0.000 1.278 750 L HN 0.415 nan 8.230 nan 0.000 0.431 751 L N 1.589 122.639 121.223 -0.289 0.000 2.386 751 L HA 0.771 5.111 4.340 -0.001 0.000 0.271 751 L C -0.084 176.877 176.870 0.152 0.000 0.993 751 L CA -0.066 54.760 54.840 -0.024 0.000 0.819 751 L CB 2.061 44.028 42.059 -0.153 0.000 1.294 751 L HN 0.776 nan 8.230 nan 0.000 0.414 752 T N -0.052 114.697 114.554 0.326 0.000 2.925 752 T HA 0.404 4.753 4.350 -0.001 0.000 0.285 752 T C 0.863 175.804 174.700 0.403 0.000 1.021 752 T CA -0.656 61.632 62.100 0.314 0.000 1.042 752 T CB 1.289 70.309 68.868 0.253 0.000 1.037 752 T HN 0.647 nan 8.240 nan 0.000 0.481 753 K N 0.496 121.073 120.400 0.296 0.000 2.360 753 K HA -0.073 4.247 4.320 -0.001 0.000 0.201 753 K C 1.981 178.662 176.600 0.135 0.000 1.046 753 K CA 1.657 58.055 56.287 0.185 0.000 0.940 753 K CB -0.302 32.178 32.500 -0.034 0.000 0.748 753 K HN 0.870 nan 8.250 nan 0.000 0.465 754 T N -3.781 110.847 114.554 0.124 0.000 3.129 754 T HA 0.183 4.533 4.350 -0.001 0.000 0.251 754 T C 1.293 176.008 174.700 0.026 0.000 1.117 754 T CA 0.397 62.531 62.100 0.056 0.000 1.034 754 T CB 0.558 69.462 68.868 0.060 0.000 0.968 754 T HN 0.294 nan 8.240 nan 0.000 0.526 755 G N 1.314 110.182 108.800 0.112 0.000 2.179 755 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.220 755 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.220 755 G C -0.024 175.088 174.900 0.352 0.000 0.990 755 G CA -0.436 44.720 45.100 0.093 0.000 0.646 755 G HN 0.563 nan 8.290 nan 0.000 0.517 756 K N 0.524 121.117 120.400 0.322 0.000 2.383 756 K HA 0.430 4.749 4.320 -0.001 0.000 0.286 756 K C -0.017 176.854 176.600 0.451 0.000 1.051 756 K CA -0.217 56.283 56.287 0.354 0.000 0.974 756 K CB 1.628 34.292 32.500 0.273 0.000 0.968 756 K HN 0.351 nan 8.250 nan 0.000 0.475 757 L N 5.395 126.880 121.223 0.438 0.000 2.309 757 L HA 0.537 4.877 4.340 -0.001 0.000 0.282 757 L C -0.956 176.058 176.870 0.240 0.000 1.036 757 L CA -0.620 54.401 54.840 0.300 0.000 0.806 757 L CB 0.374 42.589 42.059 0.260 0.000 1.220 757 L HN 0.580 nan 8.230 nan 0.000 0.429 758 F N 1.535 121.334 119.950 -0.253 0.000 2.711 758 F HA 0.550 5.077 4.527 -0.001 0.000 0.313 758 F C -1.299 174.177 175.800 -0.541 0.000 1.141 758 F CA -1.039 56.543 58.000 -0.697 0.000 0.941 758 F CB 1.141 39.946 39.000 -0.324 0.000 1.349 758 F HN 0.338 nan 8.300 nan 0.000 0.464 759 H N 1.912 120.693 119.070 -0.483 0.000 2.472 759 H HA 0.730 5.285 4.556 -0.001 0.000 0.338 759 H C -0.463 174.875 175.328 0.018 0.000 1.133 759 H CA -0.424 55.494 56.048 -0.216 0.000 1.216 759 H CB 2.583 32.364 29.762 0.033 0.000 1.497 759 H HN 0.815 nan 8.280 nan 0.000 0.500 760 I N -1.388 119.052 120.570 -0.217 0.000 3.170 760 I HA 0.439 4.608 4.170 -0.001 0.000 0.312 760 I C -0.633 175.034 176.117 -0.751 0.000 1.085 760 I CA -1.051 60.094 61.300 -0.258 0.000 0.999 760 I CB 2.063 39.974 38.000 -0.148 0.000 1.233 760 I HN 0.521 nan 8.210 nan 0.000 0.467 761 D N 1.577 121.631 120.400 -0.578 0.000 4.161 761 D HA -0.204 4.436 4.640 -0.001 0.000 0.246 761 D C -1.433 174.587 176.300 -0.467 0.000 1.064 761 D CA 0.578 54.357 54.000 -0.369 0.000 1.187 761 D CB -0.943 39.721 40.800 -0.228 0.000 0.871 761 D HN 0.538 nan 8.370 nan 0.000 0.413 762 F N 1.565 121.586 119.950 0.119 0.000 2.883 762 F HA 0.478 5.005 4.527 -0.001 0.000 0.312 762 F C 1.914 177.770 175.800 0.094 0.000 1.246 762 F CA -0.054 58.015 58.000 0.115 0.000 1.238 762 F CB 0.826 39.889 39.000 0.106 0.000 1.195 762 F HN 0.351 nan 8.300 nan 0.000 0.526 763 G N -0.777 108.131 108.800 0.181 0.000 2.464 763 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.217 763 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.217 763 G C 0.012 174.868 174.900 -0.074 0.000 1.138 763 G CA 0.407 45.541 45.100 0.057 0.000 0.793 763 G HN 0.332 nan 8.290 nan 0.000 0.539 764 Y N 0.757 121.111 120.300 0.091 0.000 2.345 764 Y HA 0.553 5.103 4.550 -0.001 0.000 0.331 764 Y C 0.351 176.313 175.900 0.103 0.000 0.959 764 Y CA -1.268 56.879 58.100 0.079 0.000 1.204 764 Y CB 1.153 39.649 38.460 0.059 0.000 1.135 764 Y HN 0.085 nan 8.280 nan 0.000 0.477 765 I N -0.818 119.866 120.570 0.190 0.000 3.294 765 I HA 0.547 4.717 4.170 -0.001 0.000 0.311 765 I C -0.050 176.119 176.117 0.086 0.000 1.111 765 I CA -1.620 59.768 61.300 0.147 0.000 0.976 765 I CB 2.136 40.218 38.000 0.136 0.000 1.260 765 I HN 0.565 nan 8.210 nan 0.000 0.474 766 L N 1.760 123.001 121.223 0.029 0.000 3.737 766 L HA -0.246 4.093 4.340 -0.001 0.000 0.418 766 L C 1.013 177.879 176.870 -0.006 0.000 1.216 766 L CA 0.784 55.607 54.840 -0.029 0.000 0.915 766 L CB -2.215 39.822 42.059 -0.037 0.000 1.834 766 L HN 1.302 nan 8.230 nan 0.000 0.943 767 G N -1.350 107.463 108.800 0.021 0.000 2.175 767 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.244 767 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.244 767 G C 0.422 175.361 174.900 0.065 0.000 0.982 767 G CA 0.307 45.423 45.100 0.028 0.000 0.641 767 G HN 0.450 nan 8.290 nan 0.000 0.527 768 R N 0.337 120.904 120.500 0.112 0.000 2.615 768 R HA 0.586 4.926 4.340 -0.001 0.000 0.270 768 R C -0.660 175.768 176.300 0.213 0.000 1.081 768 R CA 0.173 56.380 56.100 0.178 0.000 1.154 768 R CB 0.634 31.083 30.300 0.248 0.000 1.063 768 R HN 0.287 nan 8.270 nan 0.000 0.519 769 D N -0.364 120.136 120.400 0.167 0.000 2.769 769 D HA 0.176 4.815 4.640 -0.001 0.000 0.219 769 D C -2.051 174.142 176.300 -0.178 0.000 1.245 769 D CA -1.276 52.660 54.000 -0.106 0.000 0.801 769 D CB 1.781 42.540 40.800 -0.068 0.000 1.598 769 D HN 0.136 nan 8.370 nan 0.000 0.485 770 P HA -0.063 nan 4.420 nan 0.000 0.225 770 P C -0.360 176.889 177.300 -0.085 0.000 1.148 770 P CA 0.897 63.866 63.100 -0.218 0.000 0.779 770 P CB 0.296 31.816 31.700 -0.300 0.000 0.780 771 K N 0.129 120.470 120.400 -0.098 0.000 2.221 771 K HA 0.479 4.799 4.320 -0.001 0.000 0.243 771 K C -2.562 174.024 176.600 -0.024 0.000 0.968 771 K CA -2.350 53.908 56.287 -0.049 0.000 0.846 771 K CB 1.296 33.763 32.500 -0.056 0.000 1.141 771 K HN -0.099 nan 8.250 nan 0.000 0.434 772 P HA 0.245 nan 4.420 nan 0.000 0.286 772 P C -0.880 176.421 177.300 0.002 0.000 1.261 772 P CA -0.582 62.519 63.100 0.002 0.000 0.821 772 P CB 0.521 32.223 31.700 0.005 0.000 1.013 773 L N -0.121 121.108 121.223 0.010 0.000 3.746 773 L HA -0.155 4.184 4.340 -0.001 0.000 0.542 773 L C -1.614 175.264 176.870 0.012 0.000 1.268 773 L CA 0.522 55.370 54.840 0.014 0.000 0.818 773 L CB -2.783 39.284 42.059 0.014 0.000 1.472 773 L HN 0.488 nan 8.230 nan 0.000 0.843 774 P HA 0.493 nan 4.420 nan 0.000 0.279 774 P C -2.283 175.033 177.300 0.026 0.000 1.252 774 P CA -1.179 61.928 63.100 0.011 0.000 0.811 774 P CB 0.368 32.071 31.700 0.005 0.000 1.035 775 P HA 0.240 nan 4.420 nan 0.000 0.279 775 P C -2.082 175.255 177.300 0.062 0.000 1.239 775 P CA -1.651 61.474 63.100 0.042 0.000 0.789 775 P CB 0.452 32.175 31.700 0.038 0.000 0.933 776 P HA 0.056 nan 4.420 nan 0.000 0.227 776 P C 0.496 177.911 177.300 0.191 0.000 1.161 776 P CA 1.014 64.197 63.100 0.139 0.000 0.788 776 P CB 0.397 32.204 31.700 0.178 0.000 0.822 777 M N 1.004 120.662 119.600 0.097 0.000 2.066 777 M HA 0.190 4.670 4.480 -0.001 0.000 0.340 777 M C 0.177 176.524 176.300 0.077 0.000 1.053 777 M CA -0.343 54.993 55.300 0.060 0.000 0.983 777 M CB 1.442 34.024 32.600 -0.030 0.000 1.520 777 M HN -0.285 nan 8.290 nan 0.000 0.428 778 K N 5.147 125.608 120.400 0.101 0.000 2.518 778 K HA 0.388 4.708 4.320 -0.001 0.000 0.244 778 K C -0.153 176.515 176.600 0.114 0.000 1.232 778 K CA -0.076 56.271 56.287 0.099 0.000 1.189 778 K CB -0.001 32.566 32.500 0.112 0.000 1.737 778 K HN 0.679 nan 8.250 nan 0.000 0.333 779 L N 0.607 121.891 121.223 0.101 0.000 2.416 779 L HA 0.368 4.708 4.340 -0.001 0.000 0.263 779 L C 0.227 177.131 176.870 0.057 0.000 1.065 779 L CA -0.552 54.354 54.840 0.110 0.000 0.798 779 L CB 1.042 43.194 42.059 0.155 0.000 1.267 779 L HN 0.375 nan 8.230 nan 0.000 0.467 780 N N 0.359 119.082 118.700 0.039 0.000 2.369 780 N HA 0.095 4.835 4.740 -0.001 0.000 0.287 780 N C -0.077 175.405 175.510 -0.047 0.000 1.067 780 N CA -0.408 52.631 53.050 -0.018 0.000 0.888 780 N CB 2.175 40.652 38.487 -0.016 0.000 1.616 780 N HN 0.447 nan 8.380 nan 0.000 0.482 781 K N 2.110 122.420 120.400 -0.150 0.000 2.034 781 K HA -0.170 4.150 4.320 -0.001 0.000 0.214 781 K C 1.483 178.021 176.600 -0.103 0.000 1.051 781 K CA 2.076 58.196 56.287 -0.280 0.000 0.931 781 K CB 0.096 32.377 32.500 -0.364 0.000 0.715 781 K HN 0.646 nan 8.250 nan 0.000 0.446 782 E N 0.056 120.207 120.200 -0.081 0.000 2.274 782 E HA -0.157 4.193 4.350 -0.001 0.000 0.194 782 E C 2.039 178.649 176.600 0.016 0.000 0.996 782 E CA 0.964 57.338 56.400 -0.043 0.000 0.840 782 E CB -0.386 29.267 29.700 -0.078 0.000 0.772 782 E HN 0.440 nan 8.360 nan 0.000 0.491 783 M N 0.866 120.482 119.600 0.028 0.000 2.159 783 M HA -0.101 4.378 4.480 -0.001 0.000 0.263 783 M C 2.260 178.613 176.300 0.088 0.000 1.063 783 M CA 1.135 56.485 55.300 0.083 0.000 1.110 783 M CB -0.087 32.510 32.600 -0.005 0.000 1.374 783 M HN -0.043 nan 8.290 nan 0.000 0.411 784 V N 0.144 120.110 119.914 0.087 0.000 2.719 784 V HA -0.154 3.965 4.120 -0.001 0.000 0.252 784 V C 1.999 178.172 176.094 0.131 0.000 1.065 784 V CA 1.408 63.772 62.300 0.107 0.000 1.086 784 V CB -0.588 31.365 31.823 0.216 0.000 0.700 784 V HN 0.447 nan 8.190 nan 0.000 0.467 785 E N 0.458 120.750 120.200 0.155 0.000 2.230 785 E HA -0.041 4.309 4.350 -0.001 0.000 0.192 785 E C 2.317 178.981 176.600 0.107 0.000 0.987 785 E CA 0.976 57.448 56.400 0.120 0.000 0.841 785 E CB -0.236 29.523 29.700 0.098 0.000 0.783 785 E HN 0.617 nan 8.360 nan 0.000 0.481 786 G N 1.578 110.461 108.800 0.138 0.000 2.422 786 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.218 786 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.218 786 G C 1.573 176.657 174.900 0.308 0.000 1.146 786 G CA 0.478 45.666 45.100 0.147 0.000 0.769 786 G HN 0.119 nan 8.290 nan 0.000 0.547 787 M N 0.072 119.895 119.600 0.371 0.000 2.619 787 M HA 0.219 4.698 4.480 -0.001 0.000 0.251 787 M C 1.769 178.183 176.300 0.191 0.000 1.106 787 M CA 0.898 56.384 55.300 0.310 0.000 1.086 787 M CB 0.437 33.163 32.600 0.210 0.000 1.465 787 M HN 0.371 nan 8.290 nan 0.000 0.506 788 G N 0.293 109.174 108.800 0.136 0.000 2.154 788 G HA2 0.039 3.998 3.960 -0.001 0.000 0.186 788 G HA3 0.039 3.998 3.960 -0.001 0.000 0.186 788 G C 0.402 175.321 174.900 0.030 0.000 1.000 788 G CA -0.267 44.883 45.100 0.083 0.000 0.664 788 G HN 0.912 nan 8.290 nan 0.000 0.513 789 G N -1.494 107.306 108.800 0.000 0.000 2.760 789 G HA2 0.225 4.185 3.960 -0.001 0.000 0.246 789 G HA3 0.225 4.185 3.960 -0.001 0.000 0.246 789 G C 0.981 175.712 174.900 -0.282 0.000 1.359 789 G CA 0.926 45.943 45.100 -0.140 0.000 0.861 789 G HN 1.863 nan 8.290 nan 0.000 0.541 790 T N -2.322 111.917 114.554 -0.525 0.000 3.085 790 T HA 0.070 4.420 4.350 -0.001 0.000 0.263 790 T C 1.836 176.397 174.700 -0.231 0.000 1.127 790 T CA 1.861 63.541 62.100 -0.701 0.000 1.103 790 T CB 0.116 68.494 68.868 -0.817 0.000 0.921 790 T HN 0.508 nan 8.240 nan 0.000 0.510 791 Q N 2.056 121.777 119.800 -0.132 0.000 2.378 791 Q HA 0.113 4.453 4.340 -0.001 0.000 0.205 791 Q C 1.309 177.335 176.000 0.043 0.000 0.954 791 Q CA 0.427 56.214 55.803 -0.028 0.000 0.901 791 Q CB -0.095 28.623 28.738 -0.033 0.000 0.981 791 Q HN 0.769 nan 8.270 nan 0.000 0.483 792 S N 0.227 115.969 115.700 0.070 0.000 2.565 792 S HA 0.137 4.606 4.470 -0.001 0.000 0.274 792 S C 0.832 175.515 174.600 0.140 0.000 1.309 792 S CA -0.524 57.737 58.200 0.101 0.000 1.043 792 S CB 1.373 64.635 63.200 0.103 0.000 0.939 792 S HN 0.004 nan 8.310 nan 0.000 0.504 793 E N 2.507 122.767 120.200 0.099 0.000 2.169 793 E HA -0.276 4.073 4.350 -0.001 0.000 0.202 793 E C 1.834 178.496 176.600 0.103 0.000 1.016 793 E CA 2.059 58.512 56.400 0.087 0.000 0.817 793 E CB -0.478 29.261 29.700 0.066 0.000 0.736 793 E HN 0.768 nan 8.360 nan 0.000 0.462 794 Q N -0.747 119.131 119.800 0.129 0.000 2.046 794 Q HA -0.125 4.214 4.340 -0.001 0.000 0.200 794 Q C 1.965 178.076 176.000 0.185 0.000 0.975 794 Q CA 1.480 57.370 55.803 0.145 0.000 0.836 794 Q CB -0.563 28.272 28.738 0.162 0.000 0.896 794 Q HN 0.488 nan 8.270 nan 0.000 0.428 795 Y N 1.173 121.526 120.300 0.089 0.000 2.207 795 Y HA -0.293 4.256 4.550 -0.001 0.000 0.287 795 Y C 1.942 177.928 175.900 0.144 0.000 1.156 795 Y CA 1.605 59.780 58.100 0.125 0.000 1.182 795 Y CB 0.040 38.541 38.460 0.068 0.000 0.979 795 Y HN 0.105 nan 8.280 nan 0.000 0.521 796 Q N 0.130 119.936 119.800 0.009 0.000 2.050 796 Q HA -0.225 4.114 4.340 -0.001 0.000 0.202 796 Q C 2.221 178.135 176.000 -0.144 0.000 0.980 796 Q CA 1.847 57.585 55.803 -0.108 0.000 0.840 796 Q CB -0.569 28.173 28.738 0.006 0.000 0.898 796 Q HN 0.531 nan 8.270 nan 0.000 0.424 797 E N 0.702 120.877 120.200 -0.043 0.000 2.085 797 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 797 E C 1.679 178.236 176.600 -0.071 0.000 0.994 797 E CA 0.897 57.274 56.400 -0.038 0.000 0.801 797 E CB -0.500 29.215 29.700 0.025 0.000 0.743 797 E HN 0.261 nan 8.360 nan 0.000 0.453 798 F N 1.378 121.212 119.950 -0.193 0.000 2.043 798 F HA -0.252 4.275 4.527 -0.001 0.000 0.297 798 F C 2.104 177.693 175.800 -0.351 0.000 1.118 798 F CA 2.385 60.249 58.000 -0.226 0.000 1.202 798 F CB -0.581 38.294 39.000 -0.208 0.000 0.965 798 F HN -0.044 nan 8.300 nan 0.000 0.482 799 R N 0.316 120.333 120.500 -0.806 0.000 2.081 799 R HA -0.184 4.155 4.340 -0.001 0.000 0.235 799 R C 2.362 177.858 176.300 -1.340 0.000 1.131 799 R CA 1.806 57.209 56.100 -1.161 0.000 0.960 799 R CB -0.597 29.164 30.300 -0.899 0.000 0.856 799 R HN 0.368 nan 8.270 nan 0.000 0.436 800 K N 0.795 120.719 120.400 -0.794 0.000 2.103 800 K HA -0.202 4.117 4.320 -0.001 0.000 0.207 800 K C 1.990 178.410 176.600 -0.300 0.000 1.048 800 K CA 1.489 57.501 56.287 -0.460 0.000 0.930 800 K CB 0.129 32.529 32.500 -0.167 0.000 0.716 800 K HN 0.152 nan 8.250 nan 0.000 0.444 801 Q N 0.115 119.737 119.800 -0.296 0.000 2.137 801 Q HA -0.105 4.234 4.340 -0.001 0.000 0.198 801 Q C 2.451 178.351 176.000 -0.165 0.000 0.960 801 Q CA 1.283 56.995 55.803 -0.152 0.000 0.847 801 Q CB -0.342 28.344 28.738 -0.088 0.000 0.915 801 Q HN 0.446 nan 8.270 nan 0.000 0.448 802 C N 0.614 119.677 119.300 -0.395 0.000 2.393 802 C HA -0.187 4.272 4.460 -0.001 0.000 0.276 802 C C 2.595 177.586 174.990 0.003 0.000 1.215 802 C CA 0.634 59.476 59.018 -0.293 0.000 1.743 802 C CB -1.317 26.089 27.740 -0.557 0.000 2.044 802 C HN 0.448 nan 8.230 nan 0.000 0.464 803 Y N 1.696 121.952 120.300 -0.072 0.000 2.053 803 Y HA -0.215 4.335 4.550 -0.001 0.000 0.277 803 Y C 2.808 178.779 175.900 0.118 0.000 1.159 803 Y CA 1.841 59.967 58.100 0.042 0.000 1.125 803 Y CB -1.980 36.479 38.460 -0.002 0.000 0.969 803 Y HN 0.345 nan 8.280 nan 0.000 0.492 804 T N 0.234 114.939 114.554 0.252 0.000 2.720 804 T HA -0.195 4.155 4.350 -0.001 0.000 0.268 804 T C 2.226 177.134 174.700 0.346 0.000 1.037 804 T CA 1.491 63.739 62.100 0.248 0.000 1.144 804 T CB -0.754 68.250 68.868 0.225 0.000 0.864 804 T HN 0.426 nan 8.240 nan 0.000 0.444 805 A N 1.411 124.396 122.820 0.275 0.000 1.883 805 A HA -0.056 4.264 4.320 -0.001 0.000 0.217 805 A C 2.022 179.829 177.584 0.372 0.000 1.186 805 A CA 1.400 53.604 52.037 0.278 0.000 0.624 805 A CB -1.043 18.057 19.000 0.168 0.000 0.822 805 A HN 0.408 nan 8.150 nan 0.000 0.444 806 F N 0.746 120.805 119.950 0.182 0.000 2.095 806 F HA -0.150 4.376 4.527 -0.001 0.000 0.298 806 F C 2.007 177.931 175.800 0.207 0.000 1.104 806 F CA 1.540 59.665 58.000 0.208 0.000 1.232 806 F CB -0.606 38.499 39.000 0.175 0.000 0.987 806 F HN 0.141 nan 8.300 nan 0.000 0.475 807 L N -0.966 120.309 121.223 0.087 0.000 2.046 807 L HA -0.261 4.079 4.340 -0.001 0.000 0.208 807 L C 2.454 179.258 176.870 -0.111 0.000 1.077 807 L CA 1.686 56.455 54.840 -0.119 0.000 0.747 807 L CB -1.070 40.910 42.059 -0.133 0.000 0.896 807 L HN 0.177 nan 8.230 nan 0.000 0.432 808 H N -0.456 118.667 119.070 0.088 0.000 2.357 808 H HA -0.107 4.449 4.556 -0.001 0.000 0.301 808 H C 2.308 177.766 175.328 0.216 0.000 1.082 808 H CA 1.304 57.434 56.048 0.137 0.000 1.342 808 H CB -0.009 29.859 29.762 0.177 0.000 1.389 808 H HN 0.160 nan 8.280 nan 0.000 0.511 809 L N -0.052 121.389 121.223 0.363 0.000 2.141 809 L HA -0.130 4.210 4.340 -0.001 0.000 0.209 809 L C 2.385 179.407 176.870 0.252 0.000 1.094 809 L CA 0.942 56.026 54.840 0.407 0.000 0.763 809 L CB -0.196 42.151 42.059 0.480 0.000 0.908 809 L HN 0.187 nan 8.230 nan 0.000 0.437 810 R N -0.226 120.315 120.500 0.068 0.000 2.105 810 R HA -0.132 4.208 4.340 -0.001 0.000 0.239 810 R C 2.263 178.368 176.300 -0.325 0.000 1.135 810 R CA 1.198 57.145 56.100 -0.256 0.000 0.967 810 R CB -0.163 29.972 30.300 -0.275 0.000 0.861 810 R HN 0.320 nan 8.270 nan 0.000 0.442 811 R N -0.824 119.543 120.500 -0.222 0.000 2.280 811 R HA -0.081 4.258 4.340 -0.001 0.000 0.207 811 R C 0.554 176.554 176.300 -0.500 0.000 1.043 811 R CA 0.861 56.747 56.100 -0.356 0.000 1.006 811 R CB 0.201 30.262 30.300 -0.398 0.000 0.885 811 R HN 0.327 nan 8.270 nan 0.000 0.467 812 Y N -0.321 119.907 120.300 -0.119 0.000 2.636 812 Y HA 0.077 4.627 4.550 -0.001 0.000 0.260 812 Y C 1.962 177.755 175.900 -0.178 0.000 1.177 812 Y CA -0.235 57.815 58.100 -0.085 0.000 1.209 812 Y CB 0.399 38.864 38.460 0.009 0.000 1.166 812 Y HN 0.033 nan 8.280 nan 0.000 0.531 813 S N -0.636 114.862 115.700 -0.335 0.000 2.400 813 S HA -0.212 4.258 4.470 -0.001 0.000 0.232 813 S C 1.672 176.140 174.600 -0.220 0.000 1.025 813 S CA 1.677 59.505 58.200 -0.621 0.000 0.993 813 S CB -0.237 62.329 63.200 -1.057 0.000 0.808 813 S HN 0.397 nan 8.310 nan 0.000 0.478 814 N N 1.646 120.262 118.700 -0.140 0.000 2.142 814 N HA 0.046 4.786 4.740 -0.001 0.000 0.186 814 N C 1.590 177.102 175.510 0.003 0.000 1.023 814 N CA 1.079 54.095 53.050 -0.057 0.000 0.852 814 N CB -0.709 37.743 38.487 -0.058 0.000 0.998 814 N HN 0.379 nan 8.380 nan 0.000 0.424 815 L N 1.004 122.251 121.223 0.040 0.000 2.005 815 L HA 0.051 4.390 4.340 -0.001 0.000 0.207 815 L C 1.791 178.721 176.870 0.100 0.000 1.072 815 L CA 1.336 56.215 54.840 0.065 0.000 0.744 815 L CB -0.913 41.232 42.059 0.144 0.000 0.895 815 L HN 0.101 nan 8.230 nan 0.000 0.433 816 I N -0.637 120.029 120.570 0.159 0.000 2.118 816 I HA -0.373 3.797 4.170 -0.001 0.000 0.241 816 I C 2.487 178.798 176.117 0.324 0.000 1.070 816 I CA 1.770 63.229 61.300 0.265 0.000 1.327 816 I CB -0.483 37.744 38.000 0.378 0.000 1.034 816 I HN 0.265 nan 8.210 nan 0.000 0.405 817 L N 0.116 121.481 121.223 0.238 0.000 2.046 817 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 817 L C 2.298 179.279 176.870 0.185 0.000 1.077 817 L CA 1.214 56.188 54.840 0.223 0.000 0.747 817 L CB -0.773 41.358 42.059 0.120 0.000 0.896 817 L HN 0.304 nan 8.230 nan 0.000 0.432 818 N N 0.206 118.969 118.700 0.106 0.000 2.104 818 N HA -0.158 4.581 4.740 -0.001 0.000 0.190 818 N C 1.904 177.457 175.510 0.072 0.000 1.024 818 N CA 1.231 54.319 53.050 0.063 0.000 0.853 818 N CB -0.320 38.169 38.487 0.002 0.000 1.008 818 N HN 0.249 nan 8.380 nan 0.000 0.424 819 L N -1.045 120.219 121.223 0.068 0.000 2.093 819 L HA -0.093 4.247 4.340 -0.001 0.000 0.208 819 L C 1.814 178.674 176.870 -0.016 0.000 1.085 819 L CA 0.843 55.686 54.840 0.005 0.000 0.755 819 L CB -0.346 41.694 42.059 -0.031 0.000 0.904 819 L HN 0.071 nan 8.230 nan 0.000 0.435 820 F N 0.115 120.096 119.950 0.052 0.000 2.186 820 F HA -0.193 4.333 4.527 -0.001 0.000 0.299 820 F C 2.757 178.592 175.800 0.059 0.000 1.090 820 F CA 1.566 59.596 58.000 0.051 0.000 1.307 820 F CB -0.376 38.656 39.000 0.053 0.000 1.019 820 F HN 0.052 nan 8.300 nan 0.000 0.489 821 S N 0.174 116.017 115.700 0.239 0.000 2.402 821 S HA -0.143 4.326 4.470 -0.001 0.000 0.229 821 S C 1.897 176.590 174.600 0.155 0.000 1.021 821 S CA 0.807 59.113 58.200 0.176 0.000 0.974 821 S CB -0.744 62.544 63.200 0.147 0.000 0.800 821 S HN 0.338 nan 8.310 nan 0.000 0.484 822 L N -0.235 121.074 121.223 0.143 0.000 2.633 822 L HA 0.140 4.479 4.340 -0.001 0.000 0.235 822 L C 1.887 178.861 176.870 0.173 0.000 1.163 822 L CA 0.604 55.554 54.840 0.183 0.000 0.859 822 L CB -0.380 41.761 42.059 0.136 0.000 0.973 822 L HN 0.303 nan 8.230 nan 0.000 0.451 823 M N -1.546 118.133 119.600 0.131 0.000 2.346 823 M HA 0.044 4.523 4.480 -0.001 0.000 0.280 823 M C 1.566 177.944 176.300 0.130 0.000 1.075 823 M CA 0.267 55.624 55.300 0.096 0.000 0.989 823 M CB 0.479 33.089 32.600 0.018 0.000 1.447 823 M HN 0.086 nan 8.290 nan 0.000 0.511 824 V N -2.773 117.234 119.914 0.156 0.000 2.594 824 V HA -0.095 4.025 4.120 -0.001 0.000 0.253 824 V C 0.898 177.064 176.094 0.121 0.000 1.069 824 V CA 1.788 64.166 62.300 0.130 0.000 1.082 824 V CB -0.583 31.301 31.823 0.103 0.000 0.680 824 V HN 0.302 nan 8.190 nan 0.000 0.469 825 D N 1.107 121.600 120.400 0.155 0.000 2.388 825 D HA 0.445 5.085 4.640 -0.001 0.000 0.221 825 D C 0.801 177.158 176.300 0.095 0.000 1.133 825 D CA 0.670 54.752 54.000 0.136 0.000 0.831 825 D CB 0.813 41.731 40.800 0.195 0.000 0.962 825 D HN 0.649 nan 8.370 nan 0.000 0.502 826 A N 0.949 123.815 122.820 0.077 0.000 2.354 826 A HA 0.207 4.526 4.320 -0.001 0.000 0.269 826 A C 0.592 178.196 177.584 0.034 0.000 1.109 826 A CA -0.514 51.548 52.037 0.042 0.000 0.800 826 A CB 0.355 19.367 19.000 0.021 0.000 1.045 826 A HN -0.014 nan 8.150 nan 0.000 0.489 827 N N 2.152 120.864 118.700 0.019 0.000 2.892 827 N HA 0.150 4.890 4.740 -0.001 0.000 0.300 827 N C -0.856 174.657 175.510 0.005 0.000 1.211 827 N CA 0.660 53.717 53.050 0.012 0.000 1.158 827 N CB -0.266 38.224 38.487 0.004 0.000 1.455 827 N HN 0.521 nan 8.380 nan 0.000 0.524 828 I N 1.050 121.628 120.570 0.013 0.000 2.447 828 I HA 0.212 4.382 4.170 -0.001 0.000 0.287 828 I C -1.538 174.587 176.117 0.013 0.000 1.023 828 I CA -2.273 59.034 61.300 0.012 0.000 1.083 828 I CB 2.578 40.590 38.000 0.020 0.000 1.245 828 I HN -0.116 nan 8.210 nan 0.000 0.434 829 P HA -0.207 nan 4.420 nan 0.000 0.217 829 P C 0.930 178.227 177.300 -0.005 0.000 1.162 829 P CA 1.488 64.579 63.100 -0.015 0.000 0.901 829 P CB 0.304 31.978 31.700 -0.044 0.000 0.793 830 D N -1.312 119.090 120.400 0.004 0.000 2.183 830 D HA -0.044 4.595 4.640 -0.001 0.000 0.203 830 D C 1.984 178.308 176.300 0.040 0.000 0.969 830 D CA 0.778 54.790 54.000 0.019 0.000 0.842 830 D CB -0.312 40.508 40.800 0.032 0.000 0.957 830 D HN 0.194 nan 8.370 nan 0.000 0.484 831 I N 0.752 121.356 120.570 0.058 0.000 2.353 831 I HA -0.163 4.006 4.170 -0.001 0.000 0.248 831 I C 2.375 178.523 176.117 0.051 0.000 1.119 831 I CA 0.652 61.996 61.300 0.073 0.000 1.417 831 I CB -0.072 37.988 38.000 0.100 0.000 1.078 831 I HN -0.106 nan 8.210 nan 0.000 0.421 832 A N 0.428 123.270 122.820 0.037 0.000 2.066 832 A HA -0.106 4.214 4.320 -0.001 0.000 0.218 832 A C 2.198 179.795 177.584 0.021 0.000 1.157 832 A CA 0.864 52.918 52.037 0.029 0.000 0.670 832 A CB -0.541 18.472 19.000 0.021 0.000 0.804 832 A HN 0.329 nan 8.150 nan 0.000 0.453 833 L N -0.808 120.425 121.223 0.017 0.000 2.079 833 L HA -0.080 4.260 4.340 -0.001 0.000 0.210 833 L C 0.566 177.445 176.870 0.014 0.000 1.081 833 L CA 1.608 56.456 54.840 0.012 0.000 0.752 833 L CB 0.071 42.136 42.059 0.010 0.000 0.896 833 L HN 0.434 nan 8.230 nan 0.000 0.433 834 E N -2.334 117.876 120.200 0.018 0.000 3.079 834 E HA 0.101 4.450 4.350 -0.001 0.000 0.329 834 E C -2.044 174.568 176.600 0.020 0.000 1.166 834 E CA -0.766 55.643 56.400 0.014 0.000 0.876 834 E CB 0.888 30.594 29.700 0.009 0.000 1.479 834 E HN 0.046 nan 8.360 nan 0.000 0.384 835 P HA -0.201 nan 4.420 nan 0.000 0.218 835 P C 1.082 178.401 177.300 0.033 0.000 1.148 835 P CA 1.215 64.338 63.100 0.038 0.000 0.822 835 P CB 0.187 31.910 31.700 0.038 0.000 0.784 836 D N 0.007 120.418 120.400 0.019 0.000 2.269 836 D HA -0.125 4.515 4.640 -0.001 0.000 0.208 836 D C 0.848 177.154 176.300 0.009 0.000 0.963 836 D CA 1.076 55.083 54.000 0.013 0.000 0.864 836 D CB -0.447 40.355 40.800 0.003 0.000 0.936 836 D HN 0.183 nan 8.370 nan 0.000 0.505 837 K N 0.003 120.406 120.400 0.004 0.000 2.399 837 K HA 0.222 4.541 4.320 -0.001 0.000 0.204 837 K C 1.472 178.060 176.600 -0.021 0.000 1.023 837 K CA -0.001 56.280 56.287 -0.009 0.000 1.127 837 K CB 0.798 33.290 32.500 -0.013 0.000 0.856 837 K HN -0.041 nan 8.250 nan 0.000 0.514 838 T N 0.063 114.615 114.554 -0.004 0.000 2.668 838 T HA -0.132 4.218 4.350 -0.001 0.000 0.262 838 T C 1.931 176.574 174.700 -0.094 0.000 1.045 838 T CA 1.421 63.507 62.100 -0.022 0.000 1.152 838 T CB -0.222 68.681 68.868 0.058 0.000 0.864 838 T HN -0.055 nan 8.240 nan 0.000 0.419 839 V N 1.788 121.681 119.914 -0.034 0.000 2.332 839 V HA -0.210 3.910 4.120 -0.001 0.000 0.248 839 V C 2.585 178.635 176.094 -0.074 0.000 1.055 839 V CA 1.646 63.916 62.300 -0.050 0.000 1.038 839 V CB -0.582 31.264 31.823 0.038 0.000 0.651 839 V HN 0.432 nan 8.190 nan 0.000 0.450 840 K N 0.063 120.434 120.400 -0.049 0.000 2.063 840 K HA -0.252 4.067 4.320 -0.001 0.000 0.208 840 K C 2.245 178.800 176.600 -0.075 0.000 1.048 840 K CA 1.779 58.038 56.287 -0.046 0.000 0.928 840 K CB -0.116 32.364 32.500 -0.035 0.000 0.713 840 K HN 0.440 nan 8.250 nan 0.000 0.442 841 K N -0.055 120.280 120.400 -0.108 0.000 2.097 841 K HA -0.095 4.225 4.320 -0.001 0.000 0.206 841 K C 1.962 178.437 176.600 -0.208 0.000 1.049 841 K CA 1.231 57.436 56.287 -0.136 0.000 0.933 841 K CB 0.067 32.489 32.500 -0.131 0.000 0.717 841 K HN -0.025 nan 8.250 nan 0.000 0.442 842 V N 1.110 120.859 119.914 -0.274 0.000 2.379 842 V HA -0.215 3.905 4.120 -0.001 0.000 0.245 842 V C 2.408 178.388 176.094 -0.191 0.000 1.044 842 V CA 1.538 63.628 62.300 -0.351 0.000 1.036 842 V CB -0.407 31.095 31.823 -0.535 0.000 0.664 842 V HN 0.353 nan 8.190 nan 0.000 0.453 843 Q N -0.057 119.739 119.800 -0.006 0.000 2.084 843 Q HA -0.257 4.083 4.340 -0.001 0.000 0.202 843 Q C 1.915 177.987 176.000 0.119 0.000 0.978 843 Q CA 1.988 57.900 55.803 0.182 0.000 0.844 843 Q CB -0.090 28.702 28.738 0.090 0.000 0.898 843 Q HN 0.606 nan 8.270 nan 0.000 0.426 844 D N 0.107 120.509 120.400 0.003 0.000 2.178 844 D HA -0.133 4.507 4.640 -0.001 0.000 0.202 844 D C 1.654 177.966 176.300 0.019 0.000 0.974 844 D CA 0.811 54.815 54.000 0.007 0.000 0.841 844 D CB 0.022 40.809 40.800 -0.022 0.000 0.953 844 D HN 0.139 nan 8.370 nan 0.000 0.478 845 K N 0.188 120.524 120.400 -0.106 0.000 2.209 845 K HA -0.068 4.251 4.320 -0.001 0.000 0.204 845 K C 1.867 178.551 176.600 0.141 0.000 1.048 845 K CA 0.327 56.496 56.287 -0.197 0.000 0.940 845 K CB -0.495 31.581 32.500 -0.707 0.000 0.729 845 K HN 0.236 nan 8.250 nan 0.000 0.451 846 F N 1.431 121.504 119.950 0.205 0.000 2.407 846 F HA -0.006 4.521 4.527 -0.001 0.000 0.299 846 F C 0.429 176.342 175.800 0.188 0.000 1.097 846 F CA 0.406 58.548 58.000 0.236 0.000 1.422 846 F CB -0.027 39.004 39.000 0.051 0.000 1.067 846 F HN -0.072 nan 8.300 nan 0.000 0.539 847 R N 0.482 121.164 120.500 0.304 0.000 3.205 847 R HA -0.202 4.137 4.340 -0.001 0.000 0.249 847 R C 0.697 177.033 176.300 0.059 0.000 0.937 847 R CA 0.200 56.371 56.100 0.119 0.000 0.641 847 R CB -2.561 27.781 30.300 0.070 0.000 1.114 847 R HN 0.385 nan 8.270 nan 0.000 0.451 848 L N 0.318 121.574 121.223 0.055 0.000 2.456 848 L HA -0.146 4.194 4.340 -0.001 0.000 0.224 848 L C 2.163 179.020 176.870 -0.022 0.000 1.148 848 L CA 1.529 56.367 54.840 -0.004 0.000 0.825 848 L CB -0.260 41.791 42.059 -0.014 0.000 0.937 848 L HN 0.350 nan 8.230 nan 0.000 0.450 849 D N 0.231 120.616 120.400 -0.025 0.000 2.224 849 D HA -0.080 4.560 4.640 -0.001 0.000 0.205 849 D C 1.057 177.336 176.300 -0.035 0.000 0.965 849 D CA 0.537 54.518 54.000 -0.033 0.000 0.852 849 D CB -0.015 40.760 40.800 -0.042 0.000 0.947 849 D HN 0.267 nan 8.370 nan 0.000 0.494 850 L N 0.583 121.782 121.223 -0.039 0.000 2.488 850 L HA 0.334 4.673 4.340 -0.001 0.000 0.249 850 L C 0.714 177.567 176.870 -0.029 0.000 1.151 850 L CA -0.709 54.111 54.840 -0.032 0.000 0.806 850 L CB 1.203 43.245 42.059 -0.028 0.000 1.261 850 L HN 0.012 nan 8.230 nan 0.000 0.484 851 S N -2.443 113.243 115.700 -0.023 0.000 2.671 851 S HA 0.307 4.776 4.470 -0.001 0.000 0.299 851 S C -0.011 174.569 174.600 -0.032 0.000 1.116 851 S CA -0.839 57.339 58.200 -0.036 0.000 0.912 851 S CB 1.765 64.945 63.200 -0.033 0.000 1.130 851 S HN 0.548 nan 8.310 nan 0.000 0.501 852 D N 1.205 121.574 120.400 -0.053 0.000 2.191 852 D HA -0.204 4.435 4.640 -0.001 0.000 0.190 852 D C 1.552 177.839 176.300 -0.021 0.000 1.007 852 D CA 2.176 56.144 54.000 -0.054 0.000 0.865 852 D CB -0.166 40.594 40.800 -0.066 0.000 0.929 852 D HN 0.824 nan 8.370 nan 0.000 0.447 853 E N -0.089 120.100 120.200 -0.018 0.000 2.072 853 E HA -0.156 4.194 4.350 -0.001 0.000 0.190 853 E C 1.636 178.249 176.600 0.021 0.000 0.982 853 E CA 0.932 57.327 56.400 -0.008 0.000 0.803 853 E CB 0.147 29.837 29.700 -0.017 0.000 0.755 853 E HN 0.355 nan 8.360 nan 0.000 0.453 854 E N 0.035 120.248 120.200 0.022 0.000 2.299 854 E HA -0.008 4.342 4.350 -0.001 0.000 0.193 854 E C 1.826 178.511 176.600 0.141 0.000 0.998 854 E CA 0.611 57.043 56.400 0.054 0.000 0.851 854 E CB 0.078 29.782 29.700 0.007 0.000 0.795 854 E HN 0.262 nan 8.360 nan 0.000 0.492 855 A N 1.156 124.053 122.820 0.129 0.000 1.858 855 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 855 A C 2.490 180.267 177.584 0.322 0.000 1.190 855 A CA 1.224 53.427 52.037 0.276 0.000 0.617 855 A CB -0.800 18.281 19.000 0.134 0.000 0.827 855 A HN 0.136 nan 8.150 nan 0.000 0.443 856 V N -0.079 119.905 119.914 0.117 0.000 2.295 856 V HA -0.285 3.835 4.120 -0.001 0.000 0.246 856 V C 2.564 178.513 176.094 -0.242 0.000 1.049 856 V CA 2.219 64.435 62.300 -0.139 0.000 1.024 856 V CB -1.034 30.637 31.823 -0.254 0.000 0.648 856 V HN 0.774 nan 8.190 nan 0.000 0.447 857 H N -1.139 117.847 119.070 -0.140 0.000 2.387 857 H HA -0.246 4.310 4.556 -0.001 0.000 0.299 857 H C 2.273 177.594 175.328 -0.011 0.000 1.099 857 H CA 2.493 58.486 56.048 -0.093 0.000 1.315 857 H CB -0.130 29.614 29.762 -0.031 0.000 1.380 857 H HN 0.565 nan 8.280 nan 0.000 0.513 858 Y N 0.639 120.983 120.300 0.073 0.000 2.163 858 Y HA -0.222 4.328 4.550 -0.001 0.000 0.288 858 Y C 2.785 178.632 175.900 -0.089 0.000 1.136 858 Y CA 1.998 60.120 58.100 0.036 0.000 1.147 858 Y CB -0.475 38.044 38.460 0.097 0.000 0.987 858 Y HN 0.185 nan 8.280 nan 0.000 0.509 859 M N 0.580 120.065 119.600 -0.192 0.000 2.080 859 M HA -0.248 4.232 4.480 -0.001 0.000 0.260 859 M C 2.407 178.569 176.300 -0.229 0.000 1.068 859 M CA 2.153 57.234 55.300 -0.366 0.000 1.109 859 M CB -0.751 31.749 32.600 -0.167 0.000 1.342 859 M HN 0.442 nan 8.290 nan 0.000 0.405 860 Q N -0.454 119.253 119.800 -0.155 0.000 2.173 860 Q HA -0.202 4.138 4.340 -0.001 0.000 0.208 860 Q C 1.703 177.620 176.000 -0.139 0.000 0.989 860 Q CA 2.500 58.270 55.803 -0.055 0.000 0.872 860 Q CB -0.153 28.465 28.738 -0.201 0.000 0.909 860 Q HN 0.741 nan 8.270 nan 0.000 0.420 861 S N 0.476 116.034 115.700 -0.236 0.000 2.414 861 S HA -0.021 4.448 4.470 -0.001 0.000 0.227 861 S C 2.010 176.484 174.600 -0.211 0.000 1.022 861 S CA 0.378 58.460 58.200 -0.198 0.000 0.958 861 S CB -0.197 62.901 63.200 -0.169 0.000 0.797 861 S HN 0.318 nan 8.310 nan 0.000 0.493 862 L N 1.082 122.087 121.223 -0.362 0.000 2.012 862 L HA -0.108 4.232 4.340 -0.001 0.000 0.210 862 L C 2.350 179.119 176.870 -0.168 0.000 1.073 862 L CA 1.445 56.078 54.840 -0.345 0.000 0.748 862 L CB -0.529 41.179 42.059 -0.585 0.000 0.891 862 L HN 0.315 nan 8.230 nan 0.000 0.431 863 I N -0.519 119.972 120.570 -0.133 0.000 2.163 863 I HA -0.299 3.870 4.170 -0.001 0.000 0.240 863 I C 2.102 178.268 176.117 0.081 0.000 1.081 863 I CA 1.234 62.533 61.300 -0.001 0.000 1.353 863 I CB -0.487 37.507 38.000 -0.010 0.000 1.054 863 I HN 0.221 nan 8.210 nan 0.000 0.407 864 D N 0.917 121.348 120.400 0.052 0.000 2.160 864 D HA -0.272 4.368 4.640 -0.001 0.000 0.189 864 D C 2.032 178.386 176.300 0.091 0.000 1.003 864 D CA 1.675 55.719 54.000 0.074 0.000 0.846 864 D CB -0.291 40.511 40.800 0.004 0.000 0.949 864 D HN 0.320 nan 8.370 nan 0.000 0.446 865 E N -0.139 120.084 120.200 0.038 0.000 2.049 865 E HA -0.169 4.180 4.350 -0.001 0.000 0.198 865 E C 2.193 178.863 176.600 0.116 0.000 1.007 865 E CA 1.621 58.057 56.400 0.059 0.000 0.809 865 E CB 0.020 29.725 29.700 0.007 0.000 0.749 865 E HN 0.085 nan 8.360 nan 0.000 0.450 866 S N -0.213 115.540 115.700 0.088 0.000 2.351 866 S HA -0.164 4.305 4.470 -0.001 0.000 0.220 866 S C 2.071 176.765 174.600 0.156 0.000 1.035 866 S CA 1.325 59.587 58.200 0.103 0.000 1.031 866 S CB -0.338 62.916 63.200 0.089 0.000 0.928 866 S HN 0.113 nan 8.310 nan 0.000 0.433 867 V N 1.366 121.406 119.914 0.209 0.000 2.828 867 V HA -0.191 3.929 4.120 -0.001 0.000 0.260 867 V C 2.086 178.367 176.094 0.312 0.000 1.101 867 V CA 2.089 64.561 62.300 0.287 0.000 1.123 867 V CB -0.867 31.110 31.823 0.258 0.000 0.704 867 V HN 0.546 nan 8.190 nan 0.000 0.493 868 H N 0.134 119.293 119.070 0.150 0.000 2.431 868 H HA 0.136 4.692 4.556 -0.001 0.000 0.295 868 H C 2.160 177.557 175.328 0.116 0.000 1.038 868 H CA 1.229 57.352 56.048 0.125 0.000 1.360 868 H CB -0.065 29.738 29.762 0.068 0.000 1.433 868 H HN 0.306 nan 8.280 nan 0.000 0.536 869 A N 1.821 124.713 122.820 0.120 0.000 1.849 869 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 869 A C 0.994 178.552 177.584 -0.043 0.000 1.202 869 A CA 1.365 53.423 52.037 0.036 0.000 0.629 869 A CB -1.282 17.752 19.000 0.055 0.000 0.834 869 A HN 0.426 nan 8.150 nan 0.000 0.447 870 L N -1.518 119.687 121.223 -0.031 0.000 2.506 870 L HA 0.371 4.711 4.340 -0.001 0.000 0.281 870 L C 0.207 177.024 176.870 -0.088 0.000 1.228 870 L CA -0.062 54.667 54.840 -0.185 0.000 0.850 870 L CB -0.704 41.174 42.059 -0.302 0.000 1.110 870 L HN 0.540 nan 8.230 nan 0.000 0.496 871 F N 0.000 119.877 119.950 -0.122 0.000 2.286 871 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 871 F CA 0.000 57.913 58.000 -0.145 0.000 1.383 871 F CB 0.000 38.919 39.000 -0.136 0.000 1.145 871 F HN 0.000 nan 8.300 nan 0.000 0.574