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 3pe3_1_A DATA FIRST_RESID 312 DATA SEQUENCE SCPTHADSLN NLANIKREQG NIEEAVRLYR KALEVFPEFA AAHSNLASVL DATA SEQUENCE QQQGKLQEAL MHYKEAIRIS PTFADAYSNM GNTLKEMQDV QGALQCYTRA DATA SEQUENCE IQINPAFADA HSNLASIHKD SGNIPEAIAS YRTALKLKPD FPDAYCNLAH DATA SEQUENCE CLQIVCDWTD YDERMKKLVS IVADQLEKNR LPSVHPHHSM LYPLSHGFRK DATA SEQUENCE AIAERHGNLC LDKINVLHKP PYEHPKDLKL SDGRLRVGYV SSDFGNHPTS DATA SEQUENCE HLMQSIPGMH NPDKFEVFCY ALSPDDGTNF RVKVMAEANH FIDLSQIPCN DATA SEQUENCE GKAADRIHQD GIHILVNMNG YTKGARNELF ALRPAPIQAM WLGYPGTSGA DATA SEQUENCE LFMDYIITDQ ETSPAEVAEQ YSEKLAYMPH TFFIGDHANM FPHLKKKAVI DATA SEQUENCE DFKXXXXIYD NRIVLNGIDL KAFLDSLPDV KIVKMKCXXX XXXXXXXXXA DATA SEQUENCE LNMPVIPMNT IAEAVIEMIN RGQIQITING FSISNGLATT QINNKAATGE DATA SEQUENCE EVPRTIIVTT RSQYGLPEDA IVYCNFNQLY KIDPSTLQMW ANILKRVPNS DATA SEQUENCE VLWLLRFPAV GEPNIQQYAQ NMGLPQNRII FSPVAPKEEH VRRGQLADVC DATA SEQUENCE LDTPLCNGHT TGMDVLWAGT PMVTMPGETL ASRVAASQLT CLGCLELIAK DATA SEQUENCE NRQEYEDIAV KLGTDLEYLK KVRGKVWKQR ISSPLFNTKQ YTMELERLYL DATA SEQUENCE QMWEHYAAGN KPDHMIK 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 312 S HA 0.000 nan 4.470 nan 0.000 0.327 312 S C 0.000 174.610 174.600 0.016 0.000 1.055 312 S CA 0.000 58.256 58.200 0.094 0.000 1.107 312 S CB 0.000 63.243 63.200 0.072 0.000 0.593 313 C N 5.159 124.461 119.300 0.004 0.000 2.325 313 C HA 0.528 4.988 4.460 -0.000 0.000 0.347 313 C C -1.104 173.753 174.990 -0.221 0.000 1.263 313 C CA -1.913 57.047 59.018 -0.098 0.000 1.806 313 C CB 0.612 28.343 27.740 -0.015 0.000 2.405 313 C HN 0.325 nan 8.230 nan 0.000 0.537 314 P HA -0.037 nan 4.420 nan 0.000 0.220 314 P C 1.389 178.453 177.300 -0.394 0.000 1.152 314 P CA 1.596 64.198 63.100 -0.831 0.000 0.812 314 P CB -0.023 30.960 31.700 -1.196 0.000 0.792 315 T N -1.080 113.333 114.554 -0.234 0.000 2.867 315 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 315 T C 1.799 176.498 174.700 -0.001 0.000 1.057 315 T CA 1.446 63.481 62.100 -0.108 0.000 1.136 315 T CB -0.865 67.958 68.868 -0.075 0.000 0.874 315 T HN 0.229 nan 8.240 nan 0.000 0.466 316 H N 1.812 120.828 119.070 -0.091 0.000 2.299 316 H HA 0.189 4.745 4.556 -0.000 0.000 0.302 316 H C 2.302 177.638 175.328 0.014 0.000 1.078 316 H CA 1.612 57.641 56.048 -0.032 0.000 1.323 316 H CB -0.789 28.958 29.762 -0.025 0.000 1.381 316 H HN 0.258 nan 8.280 nan 0.000 0.498 317 A N 0.088 122.853 122.820 -0.091 0.000 1.940 317 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 317 A C 2.256 179.928 177.584 0.146 0.000 1.176 317 A CA 2.109 54.139 52.037 -0.012 0.000 0.631 317 A CB -0.899 18.191 19.000 0.149 0.000 0.814 317 A HN 0.665 nan 8.150 nan 0.000 0.446 318 D N -0.834 119.572 120.400 0.010 0.000 2.117 318 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 318 D C 2.228 178.623 176.300 0.160 0.000 0.987 318 D CA 1.753 55.836 54.000 0.139 0.000 0.829 318 D CB -0.050 40.742 40.800 -0.014 0.000 0.961 318 D HN 0.415 nan 8.370 nan 0.000 0.460 319 S N -0.741 115.005 115.700 0.078 0.000 2.370 319 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 319 S C 2.117 176.745 174.600 0.046 0.000 1.033 319 S CA 0.964 59.203 58.200 0.066 0.000 1.011 319 S CB -0.528 62.721 63.200 0.081 0.000 0.852 319 S HN 0.361 nan 8.310 nan 0.000 0.457 320 L N 1.866 123.094 121.223 0.008 0.000 2.012 320 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 320 L C 2.910 179.794 176.870 0.023 0.000 1.073 320 L CA 1.837 56.664 54.840 -0.020 0.000 0.748 320 L CB -0.861 41.151 42.059 -0.079 0.000 0.891 320 L HN 0.530 nan 8.230 nan 0.000 0.431 321 N N 0.294 119.085 118.700 0.151 0.000 2.069 321 N HA -0.227 4.513 4.740 -0.000 0.000 0.191 321 N C 1.590 177.168 175.510 0.114 0.000 1.031 321 N CA 1.646 54.805 53.050 0.182 0.000 0.852 321 N CB -0.053 38.593 38.487 0.266 0.000 1.018 321 N HN 0.344 nan 8.380 nan 0.000 0.423 322 N N 1.215 119.982 118.700 0.112 0.000 2.137 322 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 322 N C 1.910 177.431 175.510 0.017 0.000 1.017 322 N CA 0.676 53.769 53.050 0.072 0.000 0.859 322 N CB -0.480 38.048 38.487 0.070 0.000 1.002 322 N HN 0.368 nan 8.380 nan 0.000 0.428 323 L N 0.351 121.566 121.223 -0.014 0.000 2.109 323 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 323 L C 2.340 179.134 176.870 -0.128 0.000 1.086 323 L CA 0.866 55.673 54.840 -0.054 0.000 0.760 323 L CB -0.394 41.634 42.059 -0.051 0.000 0.910 323 L HN 0.116 nan 8.230 nan 0.000 0.437 324 A N 0.210 122.888 122.820 -0.237 0.000 1.930 324 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 324 A C 2.001 179.386 177.584 -0.331 0.000 1.175 324 A CA 1.511 53.244 52.037 -0.507 0.000 0.627 324 A CB -0.479 17.762 19.000 -1.265 0.000 0.815 324 A HN 0.438 nan 8.150 nan 0.000 0.443 325 N N 0.489 119.126 118.700 -0.104 0.000 2.104 325 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 325 N C 1.692 177.198 175.510 -0.006 0.000 1.024 325 N CA 1.655 54.724 53.050 0.032 0.000 0.853 325 N CB -0.507 38.027 38.487 0.078 0.000 1.008 325 N HN 0.579 nan 8.380 nan 0.000 0.424 326 I N 1.527 122.080 120.570 -0.029 0.000 2.091 326 I HA -0.270 3.900 4.170 -0.000 0.000 0.239 326 I C 2.077 178.171 176.117 -0.038 0.000 1.061 326 I CA 1.241 62.526 61.300 -0.025 0.000 1.317 326 I CB -0.209 37.775 38.000 -0.028 0.000 1.031 326 I HN 0.015 nan 8.210 nan 0.000 0.401 327 K N 0.462 120.819 120.400 -0.071 0.000 2.211 327 K HA -0.199 4.121 4.320 -0.000 0.000 0.204 327 K C 2.055 178.624 176.600 -0.051 0.000 1.047 327 K CA 1.191 57.435 56.287 -0.071 0.000 0.935 327 K CB -0.528 31.905 32.500 -0.111 0.000 0.728 327 K HN 0.366 nan 8.250 nan 0.000 0.452 328 R N 0.961 121.435 120.500 -0.043 0.000 2.093 328 R HA -0.070 4.270 4.340 -0.000 0.000 0.224 328 R C 1.529 177.834 176.300 0.008 0.000 1.101 328 R CA 0.933 57.033 56.100 0.000 0.000 0.979 328 R CB 0.244 30.577 30.300 0.054 0.000 0.877 328 R HN 0.027 nan 8.270 nan 0.000 0.441 329 E N 0.679 120.882 120.200 0.006 0.000 2.216 329 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 329 E C 1.669 178.269 176.600 -0.001 0.000 0.988 329 E CA 0.891 57.295 56.400 0.007 0.000 0.834 329 E CB 0.032 29.737 29.700 0.009 0.000 0.772 329 E HN 0.515 nan 8.360 nan 0.000 0.479 330 Q N -0.383 119.413 119.800 -0.006 0.000 2.488 330 Q HA 0.069 4.409 4.340 -0.000 0.000 0.211 330 Q C 0.950 176.946 176.000 -0.007 0.000 0.967 330 Q CA 0.612 56.410 55.803 -0.008 0.000 0.926 330 Q CB 0.263 28.993 28.738 -0.013 0.000 0.992 330 Q HN 0.379 nan 8.270 nan 0.000 0.506 331 G N 1.794 110.590 108.800 -0.005 0.000 2.176 331 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.253 331 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.253 331 G C 0.173 175.070 174.900 -0.005 0.000 0.979 331 G CA 0.204 45.302 45.100 -0.004 0.000 0.641 331 G HN 0.339 nan 8.290 nan 0.000 0.530 332 N N 1.338 120.031 118.700 -0.012 0.000 3.124 332 N HA 0.264 5.004 4.740 -0.000 0.000 0.284 332 N C 1.863 177.361 175.510 -0.019 0.000 1.209 332 N CA -0.547 52.494 53.050 -0.015 0.000 1.149 332 N CB -0.325 38.148 38.487 -0.023 0.000 1.434 332 N HN 0.230 nan 8.380 nan 0.000 0.529 333 I N 0.433 120.999 120.570 -0.008 0.000 2.264 333 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 333 I C 1.964 178.078 176.117 -0.004 0.000 1.111 333 I CA 1.115 62.415 61.300 -0.000 0.000 1.382 333 I CB -0.629 37.373 38.000 0.004 0.000 1.060 333 I HN 0.552 nan 8.210 nan 0.000 0.418 334 E N 0.834 121.032 120.200 -0.004 0.000 2.106 334 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 334 E C 2.063 178.655 176.600 -0.013 0.000 0.984 334 E CA 1.268 57.670 56.400 0.004 0.000 0.806 334 E CB 0.104 29.819 29.700 0.025 0.000 0.750 334 E HN 0.312 nan 8.360 nan 0.000 0.458 335 E N 0.082 120.262 120.200 -0.032 0.000 2.158 335 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 335 E C 1.687 178.221 176.600 -0.110 0.000 0.982 335 E CA 1.121 57.487 56.400 -0.057 0.000 0.823 335 E CB -0.276 29.391 29.700 -0.054 0.000 0.766 335 E HN 0.323 nan 8.360 nan 0.000 0.468 336 A N 0.238 122.978 122.820 -0.133 0.000 1.873 336 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 336 A C 2.476 179.893 177.584 -0.277 0.000 1.193 336 A CA 1.883 53.753 52.037 -0.278 0.000 0.629 336 A CB -1.029 17.863 19.000 -0.180 0.000 0.826 336 A HN 0.194 nan 8.150 nan 0.000 0.447 337 V N 0.042 119.927 119.914 -0.048 0.000 2.324 337 V HA -0.324 3.796 4.120 -0.000 0.000 0.250 337 V C 2.655 178.742 176.094 -0.012 0.000 1.060 337 V CA 2.425 64.750 62.300 0.042 0.000 1.042 337 V CB -0.871 30.969 31.823 0.028 0.000 0.650 337 V HN 0.546 nan 8.190 nan 0.000 0.450 338 R N -0.577 119.894 120.500 -0.048 0.000 2.096 338 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 338 R C 2.252 178.512 176.300 -0.067 0.000 1.127 338 R CA 1.276 57.350 56.100 -0.044 0.000 0.968 338 R CB -0.332 29.944 30.300 -0.039 0.000 0.861 338 R HN 0.435 nan 8.270 nan 0.000 0.440 339 L N -0.940 120.199 121.223 -0.140 0.000 2.072 339 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 339 L C 2.085 178.879 176.870 -0.128 0.000 1.079 339 L CA 1.016 55.755 54.840 -0.168 0.000 0.752 339 L CB -0.465 41.436 42.059 -0.263 0.000 0.906 339 L HN 0.116 nan 8.230 nan 0.000 0.436 340 Y N 0.585 120.828 120.300 -0.094 0.000 2.165 340 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 340 Y C 2.768 178.581 175.900 -0.146 0.000 1.155 340 Y CA 1.163 59.177 58.100 -0.143 0.000 1.164 340 Y CB -0.613 37.733 38.460 -0.192 0.000 0.978 340 Y HN 0.062 nan 8.280 nan 0.000 0.513 341 R N -0.128 120.393 120.500 0.035 0.000 2.148 341 R HA -0.140 4.200 4.340 -0.000 0.000 0.227 341 R C 2.219 178.521 176.300 0.003 0.000 1.103 341 R CA 1.176 57.271 56.100 -0.009 0.000 0.983 341 R CB -0.186 30.110 30.300 -0.008 0.000 0.874 341 R HN 0.292 nan 8.270 nan 0.000 0.451 342 K N 0.477 120.876 120.400 -0.001 0.000 2.103 342 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 342 K C 2.043 178.646 176.600 0.005 0.000 1.052 342 K CA 1.043 57.328 56.287 -0.003 0.000 0.945 342 K CB 0.016 32.501 32.500 -0.025 0.000 0.722 342 K HN 0.117 nan 8.250 nan 0.000 0.443 343 A N 0.977 123.813 122.820 0.027 0.000 1.933 343 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 343 A C 1.959 179.640 177.584 0.161 0.000 1.175 343 A CA 1.194 53.297 52.037 0.111 0.000 0.628 343 A CB -0.463 18.666 19.000 0.214 0.000 0.814 343 A HN 0.255 nan 8.150 nan 0.000 0.444 344 L N -1.253 120.006 121.223 0.060 0.000 2.240 344 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 344 L C 2.488 179.390 176.870 0.054 0.000 1.106 344 L CA 1.157 56.003 54.840 0.010 0.000 0.793 344 L CB -0.316 41.659 42.059 -0.141 0.000 0.927 344 L HN 0.537 nan 8.230 nan 0.000 0.446 345 E N 0.017 120.251 120.200 0.057 0.000 2.152 345 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 345 E C 2.149 178.807 176.600 0.096 0.000 0.983 345 E CA 0.854 57.294 56.400 0.067 0.000 0.818 345 E CB 0.328 30.059 29.700 0.053 0.000 0.758 345 E HN 0.250 nan 8.360 nan 0.000 0.467 346 V N 0.340 120.322 119.914 0.114 0.000 2.302 346 V HA -0.101 4.019 4.120 -0.000 0.000 0.243 346 V C 0.753 176.993 176.094 0.244 0.000 1.036 346 V CA 1.108 63.502 62.300 0.156 0.000 1.020 346 V CB -0.083 31.813 31.823 0.121 0.000 0.657 346 V HN 0.247 nan 8.190 nan 0.000 0.453 347 F N 1.505 121.489 119.950 0.056 0.000 2.824 347 F HA 0.528 5.055 4.527 -0.000 0.000 0.375 347 F C -2.469 173.410 175.800 0.132 0.000 1.190 347 F CA -3.196 54.835 58.000 0.052 0.000 1.180 347 F CB 1.508 40.478 39.000 -0.050 0.000 1.477 347 F HN 0.034 nan 8.300 nan 0.000 0.542 348 P HA -0.106 nan 4.420 nan 0.000 0.220 348 P C 0.496 177.726 177.300 -0.117 0.000 1.148 348 P CA 1.225 64.303 63.100 -0.037 0.000 0.803 348 P CB 0.285 32.007 31.700 0.037 0.000 0.782 349 E N -0.667 119.242 120.200 -0.486 0.000 2.303 349 E HA 0.063 4.413 4.350 -0.000 0.000 0.211 349 E C -0.398 175.869 176.600 -0.554 0.000 1.223 349 E CA -0.178 55.971 56.400 -0.419 0.000 1.344 349 E CB -0.800 28.729 29.700 -0.285 0.000 1.299 349 E HN 0.173 nan 8.360 nan 0.000 0.441 350 F N 1.260 120.872 119.950 -0.563 0.000 2.309 350 F HA 0.368 4.895 4.527 -0.000 0.000 0.366 350 F C 1.131 176.949 175.800 0.030 0.000 1.104 350 F CA -1.729 56.088 58.000 -0.305 0.000 1.179 350 F CB 0.252 39.123 39.000 -0.214 0.000 1.437 350 F HN 0.042 nan 8.300 nan 0.000 0.528 351 A N 5.117 128.136 122.820 0.332 0.000 1.865 351 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 351 A C 2.378 180.044 177.584 0.137 0.000 1.191 351 A CA 1.977 54.157 52.037 0.239 0.000 0.623 351 A CB -1.040 18.077 19.000 0.195 0.000 0.826 351 A HN 0.773 nan 8.150 nan 0.000 0.444 352 A N -0.295 122.513 122.820 -0.020 0.000 1.908 352 A HA 0.085 4.405 4.320 -0.000 0.000 0.218 352 A C 2.509 179.818 177.584 -0.458 0.000 1.181 352 A CA 2.400 54.335 52.037 -0.170 0.000 0.627 352 A CB -1.037 17.879 19.000 -0.140 0.000 0.818 352 A HN 1.145 nan 8.150 nan 0.000 0.445 353 A N -1.299 120.939 122.820 -0.971 0.000 1.898 353 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 353 A C 2.062 179.306 177.584 -0.567 0.000 1.181 353 A CA 1.518 53.071 52.037 -0.806 0.000 0.620 353 A CB -0.922 17.567 19.000 -0.852 0.000 0.819 353 A HN 0.668 nan 8.150 nan 0.000 0.442 354 H N -0.624 118.258 119.070 -0.313 0.000 2.319 354 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 354 H C 2.660 177.791 175.328 -0.329 0.000 1.092 354 H CA 1.762 57.685 56.048 -0.209 0.000 1.302 354 H CB -0.442 29.289 29.762 -0.051 0.000 1.373 354 H HN 0.547 nan 8.280 nan 0.000 0.497 355 S N 0.344 115.977 115.700 -0.112 0.000 2.382 355 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 355 S C 1.904 176.321 174.600 -0.306 0.000 1.027 355 S CA 1.194 59.294 58.200 -0.168 0.000 0.991 355 S CB 0.047 63.281 63.200 0.056 0.000 0.823 355 S HN 0.409 nan 8.310 nan 0.000 0.469 356 N N 1.378 119.821 118.700 -0.428 0.000 2.109 356 N HA -0.032 4.708 4.740 -0.000 0.000 0.188 356 N C 1.695 176.723 175.510 -0.804 0.000 1.034 356 N CA 1.144 53.816 53.050 -0.630 0.000 0.846 356 N CB -0.921 37.005 38.487 -0.934 0.000 1.010 356 N HN 0.371 nan 8.380 nan 0.000 0.425 357 L N 1.301 121.944 121.223 -0.966 0.000 2.127 357 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 357 L C 2.000 178.574 176.870 -0.493 0.000 1.089 357 L CA 1.461 55.903 54.840 -0.662 0.000 0.757 357 L CB -0.724 40.951 42.059 -0.640 0.000 0.899 357 L HN 0.138 nan 8.230 nan 0.000 0.434 358 A N -0.940 121.534 122.820 -0.577 0.000 1.898 358 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 358 A C 2.439 179.776 177.584 -0.412 0.000 1.181 358 A CA 1.803 53.429 52.037 -0.685 0.000 0.620 358 A CB -0.991 17.070 19.000 -1.565 0.000 0.819 358 A HN 0.651 nan 8.150 nan 0.000 0.442 359 S N -0.009 115.535 115.700 -0.260 0.000 2.461 359 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 359 S C 1.724 176.313 174.600 -0.017 0.000 1.005 359 S CA 1.136 59.334 58.200 -0.004 0.000 0.942 359 S CB -0.924 62.316 63.200 0.065 0.000 0.776 359 S HN 0.889 nan 8.310 nan 0.000 0.514 360 V N 0.065 119.939 119.914 -0.067 0.000 2.488 360 V HA 0.128 4.248 4.120 -0.000 0.000 0.246 360 V C 2.320 178.399 176.094 -0.025 0.000 1.046 360 V CA 0.882 63.173 62.300 -0.015 0.000 1.053 360 V CB -1.214 30.630 31.823 0.035 0.000 0.679 360 V HN 0.429 nan 8.190 nan 0.000 0.458 361 L N 0.102 121.286 121.223 -0.065 0.000 2.131 361 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 361 L C 2.951 179.819 176.870 -0.005 0.000 1.092 361 L CA 2.288 57.102 54.840 -0.044 0.000 0.759 361 L CB -0.586 41.429 42.059 -0.074 0.000 0.903 361 L HN 0.453 nan 8.230 nan 0.000 0.435 362 Q N -0.274 119.535 119.800 0.015 0.000 2.079 362 Q HA -0.231 4.109 4.340 -0.000 0.000 0.200 362 Q C 2.237 178.262 176.000 0.041 0.000 0.974 362 Q CA 1.342 57.181 55.803 0.060 0.000 0.840 362 Q CB 0.061 28.875 28.738 0.128 0.000 0.898 362 Q HN 0.532 nan 8.270 nan 0.000 0.430 363 Q N 0.011 119.828 119.800 0.028 0.000 2.096 363 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 363 Q C 1.722 177.727 176.000 0.007 0.000 0.982 363 Q CA 1.535 57.349 55.803 0.018 0.000 0.850 363 Q CB 0.024 28.770 28.738 0.012 0.000 0.901 363 Q HN 0.512 nan 8.270 nan 0.000 0.422 364 Q N -0.965 118.835 119.800 0.001 0.000 2.482 364 Q HA 0.043 4.383 4.340 -0.000 0.000 0.209 364 Q C 0.841 176.836 176.000 -0.007 0.000 0.961 364 Q CA 0.417 56.213 55.803 -0.012 0.000 0.945 364 Q CB 0.418 29.144 28.738 -0.019 0.000 1.012 364 Q HN 0.568 nan 8.270 nan 0.000 0.515 365 G N 1.778 110.582 108.800 0.007 0.000 2.168 365 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.263 365 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.263 365 G C 0.116 175.025 174.900 0.015 0.000 0.977 365 G CA 0.140 45.248 45.100 0.013 0.000 0.659 365 G HN 0.290 nan 8.290 nan 0.000 0.533 366 K N 0.848 121.256 120.400 0.013 0.000 2.480 366 K HA 0.435 4.755 4.320 -0.000 0.000 0.241 366 K C 1.891 178.510 176.600 0.030 0.000 1.261 366 K CA -0.468 55.829 56.287 0.017 0.000 1.193 366 K CB -0.091 32.416 32.500 0.012 0.000 1.598 366 K HN 0.371 nan 8.250 nan 0.000 0.278 367 L N 0.328 121.573 121.223 0.036 0.000 2.005 367 L HA -0.234 4.106 4.340 -0.000 0.000 0.207 367 L C 2.497 179.398 176.870 0.052 0.000 1.072 367 L CA 1.193 56.064 54.840 0.052 0.000 0.744 367 L CB -0.435 41.651 42.059 0.046 0.000 0.895 367 L HN 0.444 nan 8.230 nan 0.000 0.433 368 Q N 0.681 120.503 119.800 0.037 0.000 2.152 368 Q HA -0.278 4.062 4.340 -0.000 0.000 0.206 368 Q C 1.998 178.019 176.000 0.034 0.000 0.985 368 Q CA 2.024 57.844 55.803 0.030 0.000 0.863 368 Q CB -0.127 28.623 28.738 0.020 0.000 0.904 368 Q HN 0.480 nan 8.270 nan 0.000 0.422 369 E N -1.650 118.576 120.200 0.044 0.000 2.230 369 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 369 E C 1.614 178.279 176.600 0.108 0.000 0.987 369 E CA 0.625 57.066 56.400 0.067 0.000 0.841 369 E CB -0.099 29.646 29.700 0.075 0.000 0.783 369 E HN 0.441 nan 8.360 nan 0.000 0.481 370 A N 1.001 123.862 122.820 0.069 0.000 1.929 370 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 370 A C 2.070 179.700 177.584 0.077 0.000 1.176 370 A CA 0.807 52.856 52.037 0.020 0.000 0.628 370 A CB -0.508 18.513 19.000 0.035 0.000 0.816 370 A HN 0.360 nan 8.150 nan 0.000 0.444 371 L N -0.417 120.888 121.223 0.137 0.000 2.042 371 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 371 L C 2.483 179.390 176.870 0.061 0.000 1.076 371 L CA 2.526 57.456 54.840 0.149 0.000 0.749 371 L CB -0.446 41.655 42.059 0.069 0.000 0.893 371 L HN 0.562 nan 8.230 nan 0.000 0.432 372 M N -1.834 117.764 119.600 -0.004 0.000 2.108 372 M HA -0.253 4.227 4.480 -0.000 0.000 0.261 372 M C 2.125 178.314 176.300 -0.185 0.000 1.066 372 M CA 1.848 57.083 55.300 -0.108 0.000 1.107 372 M CB -0.405 32.102 32.600 -0.156 0.000 1.356 372 M HN 0.387 nan 8.290 nan 0.000 0.406 373 H N -1.234 117.780 119.070 -0.093 0.000 2.436 373 H HA -0.072 4.484 4.556 -0.000 0.000 0.294 373 H C 1.758 176.975 175.328 -0.185 0.000 1.048 373 H CA 1.448 57.428 56.048 -0.114 0.000 1.353 373 H CB -0.162 29.526 29.762 -0.123 0.000 1.414 373 H HN 0.472 nan 8.280 nan 0.000 0.536 374 Y N 1.697 121.984 120.300 -0.023 0.000 2.181 374 Y HA -0.158 4.392 4.550 -0.000 0.000 0.288 374 Y C 2.546 178.320 175.900 -0.210 0.000 1.146 374 Y CA 0.963 58.980 58.100 -0.138 0.000 1.164 374 Y CB -0.066 38.302 38.460 -0.154 0.000 0.982 374 Y HN 0.025 nan 8.280 nan 0.000 0.515 375 K N -0.137 120.241 120.400 -0.037 0.000 2.057 375 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 375 K C 1.919 178.411 176.600 -0.179 0.000 1.049 375 K CA 1.407 57.616 56.287 -0.129 0.000 0.931 375 K CB -0.154 32.280 32.500 -0.111 0.000 0.714 375 K HN 0.304 nan 8.250 nan 0.000 0.440 376 E N 0.733 120.782 120.200 -0.253 0.000 2.051 376 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 376 E C 2.064 178.482 176.600 -0.304 0.000 0.991 376 E CA 1.189 57.350 56.400 -0.397 0.000 0.799 376 E CB -0.240 28.957 29.700 -0.837 0.000 0.748 376 E HN 0.288 nan 8.360 nan 0.000 0.449 377 A N 1.391 124.092 122.820 -0.198 0.000 1.978 377 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 377 A C 2.168 179.784 177.584 0.053 0.000 1.170 377 A CA 1.192 53.239 52.037 0.017 0.000 0.636 377 A CB -0.438 18.606 19.000 0.074 0.000 0.810 377 A HN 0.153 nan 8.150 nan 0.000 0.448 378 I N -0.832 119.682 120.570 -0.094 0.000 2.286 378 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 378 I C 2.518 178.607 176.117 -0.047 0.000 1.104 378 I CA 1.483 62.697 61.300 -0.142 0.000 1.397 378 I CB -1.129 36.625 38.000 -0.409 0.000 1.072 378 I HN 0.463 nan 8.210 nan 0.000 0.417 379 R N 1.333 121.790 120.500 -0.072 0.000 2.092 379 R HA -0.116 4.224 4.340 -0.000 0.000 0.231 379 R C 2.297 178.591 176.300 -0.010 0.000 1.119 379 R CA 1.313 57.388 56.100 -0.042 0.000 0.970 379 R CB -0.082 30.173 30.300 -0.075 0.000 0.864 379 R HN 0.258 nan 8.270 nan 0.000 0.440 380 I N -0.292 120.272 120.570 -0.010 0.000 2.286 380 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 380 I C 0.469 176.621 176.117 0.058 0.000 1.104 380 I CA 0.880 62.192 61.300 0.021 0.000 1.397 380 I CB 0.132 38.148 38.000 0.025 0.000 1.072 380 I HN -0.033 nan 8.210 nan 0.000 0.417 381 S N 0.775 116.533 115.700 0.096 0.000 2.542 381 S HA 0.299 4.769 4.470 -0.000 0.000 0.245 381 S C -1.945 172.752 174.600 0.162 0.000 1.325 381 S CA -0.908 57.355 58.200 0.106 0.000 1.176 381 S CB 1.330 64.564 63.200 0.057 0.000 1.045 381 S HN -0.073 nan 8.310 nan 0.000 0.481 382 P HA -0.021 nan 4.420 nan 0.000 0.230 382 P C 1.200 178.633 177.300 0.220 0.000 1.158 382 P CA 0.776 63.983 63.100 0.179 0.000 0.769 382 P CB -0.153 31.617 31.700 0.117 0.000 0.807 383 T N -5.021 109.629 114.554 0.160 0.000 3.144 383 T HA 0.090 4.440 4.350 -0.000 0.000 0.249 383 T C 0.518 175.329 174.700 0.186 0.000 1.089 383 T CA -0.310 61.865 62.100 0.125 0.000 0.989 383 T CB -1.071 67.831 68.868 0.056 0.000 0.992 383 T HN 0.079 nan 8.240 nan 0.000 0.540 384 F N 2.483 122.480 119.950 0.079 0.000 2.679 384 F HA 0.455 4.982 4.527 -0.000 0.000 0.351 384 F C 1.694 177.522 175.800 0.047 0.000 1.279 384 F CA -1.267 56.756 58.000 0.038 0.000 1.227 384 F CB -0.031 38.984 39.000 0.025 0.000 1.623 384 F HN 0.263 nan 8.300 nan 0.000 0.666 385 A N 2.244 125.152 122.820 0.148 0.000 1.972 385 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 385 A C 1.945 179.268 177.584 -0.435 0.000 1.169 385 A CA 2.054 53.955 52.037 -0.227 0.000 0.635 385 A CB -0.543 18.083 19.000 -0.622 0.000 0.810 385 A HN 0.733 nan 8.150 nan 0.000 0.446 386 D N -0.242 119.967 120.400 -0.319 0.000 2.123 386 D HA -0.061 4.579 4.640 -0.000 0.000 0.196 386 D C 1.984 178.108 176.300 -0.294 0.000 0.992 386 D CA 1.620 55.551 54.000 -0.116 0.000 0.833 386 D CB -0.154 40.804 40.800 0.263 0.000 0.954 386 D HN 0.356 nan 8.370 nan 0.000 0.455 387 A N -0.918 121.428 122.820 -0.790 0.000 1.898 387 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 387 A C 2.034 179.353 177.584 -0.441 0.000 1.181 387 A CA 1.101 52.695 52.037 -0.738 0.000 0.620 387 A CB -1.167 17.187 19.000 -1.076 0.000 0.819 387 A HN 0.387 nan 8.150 nan 0.000 0.442 388 Y N 0.132 120.253 120.300 -0.299 0.000 2.097 388 Y HA -0.223 4.327 4.550 -0.000 0.000 0.282 388 Y C 3.223 179.045 175.900 -0.130 0.000 1.152 388 Y CA 1.927 59.914 58.100 -0.188 0.000 1.136 388 Y CB -0.527 37.860 38.460 -0.122 0.000 0.975 388 Y HN 0.369 nan 8.280 nan 0.000 0.498 389 S N -0.152 115.629 115.700 0.135 0.000 2.382 389 S HA -0.194 4.276 4.470 -0.000 0.000 0.228 389 S C 1.943 176.633 174.600 0.151 0.000 1.027 389 S CA 1.628 59.995 58.200 0.279 0.000 0.991 389 S CB -0.317 63.139 63.200 0.427 0.000 0.823 389 S HN 0.455 nan 8.310 nan 0.000 0.469 390 N N 1.092 119.724 118.700 -0.114 0.000 2.135 390 N HA -0.016 4.724 4.740 -0.000 0.000 0.186 390 N C 1.778 176.919 175.510 -0.615 0.000 1.027 390 N CA 1.388 54.250 53.050 -0.312 0.000 0.849 390 N CB -0.633 37.626 38.487 -0.381 0.000 1.002 390 N HN 0.517 nan 8.380 nan 0.000 0.425 391 M N 0.805 119.831 119.600 -0.958 0.000 2.192 391 M HA -0.143 4.337 4.480 -0.000 0.000 0.259 391 M C 1.792 177.898 176.300 -0.323 0.000 1.071 391 M CA 1.899 56.771 55.300 -0.713 0.000 1.082 391 M CB -0.360 31.951 32.600 -0.482 0.000 1.373 391 M HN 0.141 nan 8.290 nan 0.000 0.408 392 G N 0.426 109.082 108.800 -0.240 0.000 2.421 392 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 392 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 392 G C 1.184 175.998 174.900 -0.144 0.000 1.171 392 G CA 1.128 46.025 45.100 -0.337 0.000 0.775 392 G HN 0.492 nan 8.290 nan 0.000 0.543 393 N N 0.504 119.251 118.700 0.078 0.000 2.149 393 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 393 N C 2.323 177.854 175.510 0.035 0.000 1.019 393 N CA 1.670 54.791 53.050 0.119 0.000 0.857 393 N CB -0.731 37.825 38.487 0.116 0.000 0.997 393 N HN 0.264 nan 8.380 nan 0.000 0.426 394 T N 1.909 116.449 114.554 -0.023 0.000 2.737 394 T HA 0.023 4.373 4.350 -0.000 0.000 0.265 394 T C 2.165 176.863 174.700 -0.003 0.000 1.038 394 T CA 0.592 62.701 62.100 0.014 0.000 1.144 394 T CB -0.263 68.635 68.868 0.051 0.000 0.866 394 T HN 0.135 nan 8.240 nan 0.000 0.434 395 L N 0.814 122.006 121.223 -0.052 0.000 2.083 395 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 395 L C 2.708 179.553 176.870 -0.042 0.000 1.083 395 L CA 1.361 56.166 54.840 -0.058 0.000 0.752 395 L CB -0.503 41.491 42.059 -0.109 0.000 0.899 395 L HN 0.244 nan 8.230 nan 0.000 0.433 396 K N 0.540 120.917 120.400 -0.039 0.000 2.063 396 K HA -0.261 4.059 4.320 -0.000 0.000 0.208 396 K C 2.027 178.643 176.600 0.027 0.000 1.048 396 K CA 1.762 58.051 56.287 0.003 0.000 0.928 396 K CB -0.013 32.523 32.500 0.060 0.000 0.713 396 K HN 0.258 nan 8.250 nan 0.000 0.442 397 E N -0.096 120.125 120.200 0.035 0.000 2.208 397 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 397 E C 1.462 178.082 176.600 0.033 0.000 0.988 397 E CA 0.770 57.196 56.400 0.044 0.000 0.828 397 E CB 0.114 29.845 29.700 0.051 0.000 0.763 397 E HN 0.372 nan 8.360 nan 0.000 0.478 398 M N 0.180 119.793 119.600 0.022 0.000 2.563 398 M HA 0.013 4.493 4.480 -0.000 0.000 0.231 398 M C -0.119 176.189 176.300 0.014 0.000 1.136 398 M CA 0.339 55.650 55.300 0.018 0.000 1.026 398 M CB 0.749 33.355 32.600 0.011 0.000 1.597 398 M HN -0.054 nan 8.290 nan 0.000 0.495 399 Q N -0.931 118.878 119.800 0.015 0.000 2.424 399 Q HA -0.199 4.141 4.340 -0.000 0.000 0.234 399 Q C -0.319 175.682 176.000 0.002 0.000 0.748 399 Q CA 1.092 56.904 55.803 0.015 0.000 1.286 399 Q CB -2.264 26.488 28.738 0.022 0.000 1.494 399 Q HN 0.538 nan 8.270 nan 0.000 0.683 400 D N 0.942 121.335 120.400 -0.011 0.000 2.639 400 D HA 0.274 4.914 4.640 -0.000 0.000 0.233 400 D C 1.018 177.290 176.300 -0.048 0.000 1.161 400 D CA 0.282 54.266 54.000 -0.026 0.000 1.003 400 D CB 0.461 41.242 40.800 -0.032 0.000 1.034 400 D HN 0.070 nan 8.370 nan 0.000 0.514 401 V N 2.946 122.838 119.914 -0.037 0.000 2.515 401 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 401 V C 2.032 178.081 176.094 -0.075 0.000 1.058 401 V CA 2.316 64.585 62.300 -0.051 0.000 1.064 401 V CB -0.148 31.661 31.823 -0.023 0.000 0.675 401 V HN 0.475 nan 8.190 nan 0.000 0.461 402 Q N 1.612 121.378 119.800 -0.057 0.000 2.030 402 Q HA -0.032 4.308 4.340 -0.000 0.000 0.204 402 Q C 2.142 178.091 176.000 -0.084 0.000 0.986 402 Q CA 2.881 58.649 55.803 -0.059 0.000 0.843 402 Q CB -1.438 27.278 28.738 -0.037 0.000 0.904 402 Q HN 0.540 nan 8.270 nan 0.000 0.420 403 G N -0.301 108.447 108.800 -0.087 0.000 2.443 403 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.219 403 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.219 403 G C 1.480 176.270 174.900 -0.182 0.000 1.131 403 G CA 0.755 45.792 45.100 -0.105 0.000 0.775 403 G HN 0.577 nan 8.290 nan 0.000 0.547 404 A N 0.315 122.993 122.820 -0.237 0.000 1.930 404 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 404 A C 2.286 179.460 177.584 -0.683 0.000 1.175 404 A CA 1.331 53.091 52.037 -0.462 0.000 0.627 404 A CB -0.342 18.439 19.000 -0.364 0.000 0.815 404 A HN 0.344 nan 8.150 nan 0.000 0.443 405 L N -0.295 120.719 121.223 -0.347 0.000 2.056 405 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 405 L C 2.554 179.334 176.870 -0.151 0.000 1.078 405 L CA 2.409 57.130 54.840 -0.198 0.000 0.749 405 L CB -0.671 41.329 42.059 -0.098 0.000 0.901 405 L HN 0.590 nan 8.230 nan 0.000 0.433 406 Q N -1.486 118.230 119.800 -0.140 0.000 2.096 406 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 406 Q C 2.402 178.355 176.000 -0.079 0.000 0.982 406 Q CA 2.483 58.235 55.803 -0.085 0.000 0.850 406 Q CB -0.225 28.474 28.738 -0.064 0.000 0.901 406 Q HN 0.658 nan 8.270 nan 0.000 0.422 407 C N -0.086 119.131 119.300 -0.139 0.000 2.429 407 C HA -0.148 4.312 4.460 -0.000 0.000 0.277 407 C C 2.364 177.375 174.990 0.036 0.000 1.262 407 C CA 0.395 59.388 59.018 -0.043 0.000 1.733 407 C CB -1.198 26.448 27.740 -0.157 0.000 2.010 407 C HN 0.577 nan 8.230 nan 0.000 0.483 408 Y N 2.006 122.300 120.300 -0.010 0.000 2.109 408 Y HA -0.169 4.381 4.550 -0.000 0.000 0.285 408 Y C 2.988 178.847 175.900 -0.068 0.000 1.131 408 Y CA 1.784 59.870 58.100 -0.023 0.000 1.121 408 Y CB -1.864 36.574 38.460 -0.037 0.000 0.987 408 Y HN 0.437 nan 8.280 nan 0.000 0.495 409 T N -1.111 113.494 114.554 0.085 0.000 2.803 409 T HA -0.253 4.097 4.350 -0.000 0.000 0.269 409 T C 1.996 176.658 174.700 -0.065 0.000 1.052 409 T CA 1.660 63.756 62.100 -0.007 0.000 1.136 409 T CB -0.388 68.474 68.868 -0.010 0.000 0.864 409 T HN 0.242 nan 8.240 nan 0.000 0.467 410 R N 0.970 121.406 120.500 -0.108 0.000 2.115 410 R HA 0.200 4.540 4.340 -0.000 0.000 0.226 410 R C 2.750 178.832 176.300 -0.363 0.000 1.100 410 R CA 1.070 57.017 56.100 -0.256 0.000 0.980 410 R CB -0.600 29.492 30.300 -0.347 0.000 0.875 410 R HN 0.518 nan 8.270 nan 0.000 0.445 411 A N 0.679 123.347 122.820 -0.253 0.000 1.930 411 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 411 A C 2.037 179.575 177.584 -0.078 0.000 1.175 411 A CA 1.079 53.000 52.037 -0.194 0.000 0.627 411 A CB -0.373 18.618 19.000 -0.015 0.000 0.815 411 A HN 0.303 nan 8.150 nan 0.000 0.443 412 I N -0.886 119.666 120.570 -0.031 0.000 2.394 412 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 412 I C 2.723 178.842 176.117 0.004 0.000 1.136 412 I CA 1.185 62.485 61.300 0.002 0.000 1.425 412 I CB -0.366 37.550 38.000 -0.140 0.000 1.079 412 I HN 0.466 nan 8.210 nan 0.000 0.425 413 Q N 0.828 120.596 119.800 -0.053 0.000 2.079 413 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 413 Q C 2.394 178.367 176.000 -0.046 0.000 0.974 413 Q CA 1.367 57.142 55.803 -0.047 0.000 0.840 413 Q CB 0.149 28.840 28.738 -0.077 0.000 0.898 413 Q HN 0.529 nan 8.270 nan 0.000 0.430 414 I N 0.326 120.841 120.570 -0.091 0.000 2.353 414 I HA -0.144 4.026 4.170 -0.000 0.000 0.248 414 I C 0.856 176.962 176.117 -0.018 0.000 1.119 414 I CA 0.543 61.798 61.300 -0.075 0.000 1.417 414 I CB 0.133 38.051 38.000 -0.137 0.000 1.078 414 I HN 0.082 nan 8.210 nan 0.000 0.421 415 N N 0.404 119.109 118.700 0.007 0.000 2.648 415 N HA 0.204 4.944 4.740 -0.000 0.000 0.261 415 N C -2.176 173.434 175.510 0.167 0.000 1.138 415 N CA -1.932 51.166 53.050 0.080 0.000 0.804 415 N CB 1.332 39.867 38.487 0.079 0.000 1.237 415 N HN -0.209 nan 8.380 nan 0.000 0.532 416 P HA -0.013 nan 4.420 nan 0.000 0.221 416 P C 0.394 177.830 177.300 0.226 0.000 1.145 416 P CA 0.865 64.077 63.100 0.187 0.000 0.795 416 P CB 0.384 32.153 31.700 0.115 0.000 0.775 417 A N -2.034 120.899 122.820 0.188 0.000 2.423 417 A HA 0.175 4.495 4.320 -0.000 0.000 0.246 417 A C 0.296 177.996 177.584 0.194 0.000 1.278 417 A CA -0.402 51.717 52.037 0.136 0.000 0.903 417 A CB -1.099 17.956 19.000 0.091 0.000 0.997 417 A HN 0.094 nan 8.150 nan 0.000 0.510 418 F N 1.415 121.448 119.950 0.139 0.000 2.464 418 F HA 0.478 5.005 4.527 -0.000 0.000 0.353 418 F C 1.290 177.219 175.800 0.216 0.000 1.191 418 F CA -0.656 57.428 58.000 0.140 0.000 1.147 418 F CB 0.305 39.382 39.000 0.129 0.000 1.294 418 F HN 0.194 nan 8.300 nan 0.000 0.583 419 A N 3.807 126.476 122.820 -0.252 0.000 1.883 419 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 419 A C 1.970 179.522 177.584 -0.052 0.000 1.186 419 A CA 2.237 54.216 52.037 -0.097 0.000 0.624 419 A CB -0.848 18.094 19.000 -0.097 0.000 0.822 419 A HN 0.740 nan 8.150 nan 0.000 0.444 420 D N 0.057 120.149 120.400 -0.513 0.000 2.149 420 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 420 D C 2.111 178.395 176.300 -0.028 0.000 1.001 420 D CA 1.805 55.681 54.000 -0.207 0.000 0.849 420 D CB -0.204 40.346 40.800 -0.417 0.000 0.939 420 D HN 0.498 nan 8.370 nan 0.000 0.449 421 A N 0.089 122.928 122.820 0.033 0.000 1.930 421 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 421 A C 1.827 179.358 177.584 -0.089 0.000 1.175 421 A CA 1.246 53.352 52.037 0.115 0.000 0.627 421 A CB -0.649 18.569 19.000 0.364 0.000 0.815 421 A HN 0.385 nan 8.150 nan 0.000 0.443 422 H N -1.085 117.983 119.070 -0.004 0.000 2.357 422 H HA -0.078 4.478 4.556 -0.000 0.000 0.301 422 H C 2.618 177.871 175.328 -0.125 0.000 1.082 422 H CA 1.509 57.535 56.048 -0.036 0.000 1.342 422 H CB -0.153 29.617 29.762 0.013 0.000 1.389 422 H HN 0.574 nan 8.280 nan 0.000 0.511 423 S N 0.603 116.337 115.700 0.058 0.000 2.368 423 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 423 S C 1.913 176.413 174.600 -0.166 0.000 1.030 423 S CA 1.183 59.368 58.200 -0.026 0.000 0.999 423 S CB 0.002 63.198 63.200 -0.007 0.000 0.844 423 S HN 0.396 nan 8.310 nan 0.000 0.459 424 N N 1.326 119.859 118.700 -0.278 0.000 2.188 424 N HA -0.041 4.699 4.740 -0.000 0.000 0.184 424 N C 1.648 176.778 175.510 -0.632 0.000 1.018 424 N CA 1.010 53.717 53.050 -0.571 0.000 0.858 424 N CB -0.761 37.052 38.487 -1.124 0.000 0.989 424 N HN 0.378 nan 8.380 nan 0.000 0.426 425 L N 1.127 122.035 121.223 -0.525 0.000 2.083 425 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 425 L C 2.043 178.827 176.870 -0.143 0.000 1.083 425 L CA 1.521 56.243 54.840 -0.196 0.000 0.752 425 L CB -0.829 41.171 42.059 -0.098 0.000 0.899 425 L HN 0.120 nan 8.230 nan 0.000 0.433 426 A N -1.367 121.272 122.820 -0.301 0.000 1.877 426 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 426 A C 2.384 179.779 177.584 -0.316 0.000 1.186 426 A CA 1.996 53.735 52.037 -0.496 0.000 0.620 426 A CB -1.042 17.069 19.000 -1.482 0.000 0.822 426 A HN 0.529 nan 8.150 nan 0.000 0.443 427 S N -0.022 115.550 115.700 -0.213 0.000 2.370 427 S HA -0.147 4.323 4.470 -0.000 0.000 0.226 427 S C 1.818 176.440 174.600 0.038 0.000 1.033 427 S CA 1.415 59.636 58.200 0.036 0.000 1.011 427 S CB -0.408 62.842 63.200 0.083 0.000 0.852 427 S HN 0.476 nan 8.310 nan 0.000 0.457 428 I N 1.463 122.033 120.570 -0.001 0.000 2.163 428 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 428 I C 2.294 178.366 176.117 -0.075 0.000 1.085 428 I CA 1.664 62.949 61.300 -0.025 0.000 1.347 428 I CB -1.303 36.666 38.000 -0.051 0.000 1.044 428 I HN 0.396 nan 8.210 nan 0.000 0.408 429 H N 0.540 119.607 119.070 -0.004 0.000 2.389 429 H HA -0.141 4.415 4.556 -0.000 0.000 0.299 429 H C 2.221 177.558 175.328 0.016 0.000 1.081 429 H CA 1.333 57.378 56.048 -0.006 0.000 1.345 429 H CB -0.051 29.686 29.762 -0.041 0.000 1.393 429 H HN 0.315 nan 8.280 nan 0.000 0.520 430 K N 0.659 121.144 120.400 0.141 0.000 2.097 430 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 430 K C 1.324 177.990 176.600 0.111 0.000 1.049 430 K CA 1.612 57.980 56.287 0.135 0.000 0.933 430 K CB 0.209 32.823 32.500 0.190 0.000 0.717 430 K HN 0.151 nan 8.250 nan 0.000 0.442 431 D N -0.052 120.406 120.400 0.096 0.000 2.183 431 D HA -0.049 4.591 4.640 -0.000 0.000 0.203 431 D C 1.195 177.541 176.300 0.075 0.000 0.969 431 D CA 0.895 54.945 54.000 0.083 0.000 0.842 431 D CB 0.105 40.948 40.800 0.072 0.000 0.957 431 D HN 0.055 nan 8.370 nan 0.000 0.484 432 S N -0.700 115.043 115.700 0.072 0.000 2.660 432 S HA 0.316 4.786 4.470 -0.000 0.000 0.227 432 S C 1.530 176.182 174.600 0.085 0.000 0.948 432 S CA 0.387 58.629 58.200 0.071 0.000 0.948 432 S CB 0.529 63.762 63.200 0.055 0.000 0.779 432 S HN 0.417 nan 8.310 nan 0.000 0.487 433 G N 2.388 111.241 108.800 0.088 0.000 2.184 433 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.264 433 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.264 433 G C -0.102 174.844 174.900 0.076 0.000 0.975 433 G CA -0.021 45.127 45.100 0.081 0.000 0.642 433 G HN 0.625 nan 8.290 nan 0.000 0.536 434 N N 1.439 120.197 118.700 0.097 0.000 2.895 434 N HA 0.406 5.146 4.740 -0.000 0.000 0.277 434 N C 1.544 177.078 175.510 0.039 0.000 1.185 434 N CA -0.641 52.453 53.050 0.073 0.000 1.106 434 N CB 0.489 39.051 38.487 0.124 0.000 1.422 434 N HN 0.167 nan 8.380 nan 0.000 0.521 435 I N 1.750 122.335 120.570 0.026 0.000 2.202 435 I HA -0.078 4.092 4.170 -0.000 0.000 0.242 435 I C -0.559 175.553 176.117 -0.008 0.000 1.091 435 I CA 0.655 61.967 61.300 0.019 0.000 1.368 435 I CB -1.981 36.024 38.000 0.008 0.000 1.058 435 I HN 0.249 nan 8.210 nan 0.000 0.410 436 P HA -0.143 nan 4.420 nan 0.000 0.216 436 P C 1.398 178.649 177.300 -0.081 0.000 1.150 436 P CA 1.399 64.471 63.100 -0.047 0.000 0.837 436 P CB 0.077 31.747 31.700 -0.050 0.000 0.786 437 E N -0.493 119.621 120.200 -0.143 0.000 2.072 437 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 437 E C 2.154 178.610 176.600 -0.241 0.000 0.982 437 E CA 1.299 57.529 56.400 -0.282 0.000 0.803 437 E CB -1.148 28.193 29.700 -0.598 0.000 0.755 437 E HN 0.118 nan 8.360 nan 0.000 0.453 438 A N 0.844 123.587 122.820 -0.128 0.000 1.877 438 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 438 A C 2.242 179.795 177.584 -0.051 0.000 1.186 438 A CA 1.183 53.163 52.037 -0.094 0.000 0.620 438 A CB -0.707 18.314 19.000 0.036 0.000 0.822 438 A HN 0.198 nan 8.150 nan 0.000 0.443 439 I N -0.217 120.381 120.570 0.047 0.000 2.264 439 I HA -0.332 3.838 4.170 -0.000 0.000 0.248 439 I C 2.962 179.109 176.117 0.050 0.000 1.111 439 I CA 1.125 62.482 61.300 0.095 0.000 1.382 439 I CB -0.401 37.622 38.000 0.038 0.000 1.060 439 I HN 0.397 nan 8.210 nan 0.000 0.418 440 A N -0.042 122.769 122.820 -0.015 0.000 1.877 440 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 440 A C 2.488 180.068 177.584 -0.007 0.000 1.186 440 A CA 2.164 54.190 52.037 -0.018 0.000 0.620 440 A CB -0.702 18.270 19.000 -0.047 0.000 0.822 440 A HN 0.366 nan 8.150 nan 0.000 0.443 441 S N -1.476 114.194 115.700 -0.050 0.000 2.402 441 S HA -0.079 4.391 4.470 -0.000 0.000 0.229 441 S C 1.820 176.404 174.600 -0.027 0.000 1.021 441 S CA 1.125 59.306 58.200 -0.031 0.000 0.974 441 S CB -0.487 62.661 63.200 -0.086 0.000 0.800 441 S HN 0.614 nan 8.310 nan 0.000 0.484 442 Y N 2.060 122.356 120.300 -0.007 0.000 2.145 442 Y HA -0.033 4.517 4.550 -0.000 0.000 0.286 442 Y C 2.450 178.323 175.900 -0.046 0.000 1.145 442 Y CA 0.815 58.881 58.100 -0.057 0.000 1.148 442 Y CB -0.475 37.932 38.460 -0.089 0.000 0.981 442 Y HN 0.155 nan 8.280 nan 0.000 0.507 443 R N -1.096 119.479 120.500 0.124 0.000 2.096 443 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 443 R C 2.163 178.486 176.300 0.038 0.000 1.127 443 R CA 1.795 57.932 56.100 0.063 0.000 0.968 443 R CB -0.729 29.593 30.300 0.037 0.000 0.861 443 R HN 0.239 nan 8.270 nan 0.000 0.440 444 T N 0.769 115.334 114.554 0.017 0.000 2.777 444 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 444 T C 1.917 176.564 174.700 -0.087 0.000 1.040 444 T CA 1.335 63.402 62.100 -0.056 0.000 1.141 444 T CB -0.161 68.656 68.868 -0.086 0.000 0.868 444 T HN 0.381 nan 8.240 nan 0.000 0.444 445 A N 1.047 123.871 122.820 0.006 0.000 1.933 445 A HA 0.028 4.348 4.320 -0.000 0.000 0.218 445 A C 2.218 179.901 177.584 0.165 0.000 1.175 445 A CA 1.174 53.272 52.037 0.102 0.000 0.628 445 A CB -0.742 18.383 19.000 0.209 0.000 0.814 445 A HN 0.489 nan 8.150 nan 0.000 0.444 446 L N -1.191 120.110 121.223 0.129 0.000 2.217 446 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 446 L C 2.520 179.442 176.870 0.086 0.000 1.107 446 L CA 1.256 56.181 54.840 0.142 0.000 0.783 446 L CB -0.260 41.871 42.059 0.121 0.000 0.919 446 L HN 0.387 nan 8.230 nan 0.000 0.442 447 K N 0.462 120.887 120.400 0.041 0.000 2.103 447 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 447 K C 2.030 178.633 176.600 0.004 0.000 1.052 447 K CA 0.997 57.293 56.287 0.015 0.000 0.945 447 K CB 0.093 32.588 32.500 -0.008 0.000 0.722 447 K HN 0.256 nan 8.250 nan 0.000 0.443 448 L N -0.074 121.142 121.223 -0.011 0.000 2.240 448 L HA -0.003 4.337 4.340 -0.000 0.000 0.211 448 L C 1.174 178.040 176.870 -0.007 0.000 1.106 448 L CA 0.780 55.607 54.840 -0.022 0.000 0.793 448 L CB 0.119 42.142 42.059 -0.061 0.000 0.927 448 L HN -0.029 nan 8.230 nan 0.000 0.446 449 K N -0.314 120.105 120.400 0.031 0.000 2.865 449 K HA 0.213 4.533 4.320 -0.000 0.000 0.215 449 K C -2.195 174.458 176.600 0.089 0.000 1.120 449 K CA -1.341 54.955 56.287 0.014 0.000 1.037 449 K CB 1.508 33.954 32.500 -0.091 0.000 1.233 449 K HN -0.254 nan 8.250 nan 0.000 0.577 450 P HA -0.165 nan 4.420 nan 0.000 0.216 450 P C -0.122 177.216 177.300 0.063 0.000 1.150 450 P CA 1.121 64.259 63.100 0.062 0.000 0.843 450 P CB 0.167 31.882 31.700 0.025 0.000 0.787 451 D N -0.726 119.697 120.400 0.039 0.000 2.500 451 D HA 0.153 4.793 4.640 -0.000 0.000 0.219 451 D C -1.285 175.076 176.300 0.103 0.000 1.137 451 D CA -0.490 53.527 54.000 0.028 0.000 0.946 451 D CB -0.907 39.883 40.800 -0.017 0.000 1.022 451 D HN -0.180 nan 8.370 nan 0.000 0.518 452 F N 5.135 125.068 119.950 -0.027 0.000 2.931 452 F HA 0.370 4.897 4.527 -0.000 0.000 0.375 452 F C -2.163 173.647 175.800 0.018 0.000 1.243 452 F CA -2.573 55.424 58.000 -0.005 0.000 1.206 452 F CB 1.452 40.458 39.000 0.010 0.000 1.643 452 F HN 0.113 nan 8.300 nan 0.000 0.593 453 P HA -0.161 nan 4.420 nan 0.000 0.214 453 P C 1.310 178.648 177.300 0.064 0.000 1.163 453 P CA 1.655 64.829 63.100 0.125 0.000 0.889 453 P CB 0.461 32.214 31.700 0.088 0.000 0.790 454 D N -0.727 119.714 120.400 0.068 0.000 2.104 454 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 454 D C 2.001 178.114 176.300 -0.311 0.000 0.994 454 D CA 1.797 55.760 54.000 -0.062 0.000 0.830 454 D CB -0.866 39.960 40.800 0.043 0.000 0.959 454 D HN 0.081 nan 8.370 nan 0.000 0.452 455 A N 0.168 122.568 122.820 -0.701 0.000 1.877 455 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 455 A C 2.240 179.520 177.584 -0.508 0.000 1.186 455 A CA 1.389 52.987 52.037 -0.732 0.000 0.620 455 A CB -1.158 17.230 19.000 -1.020 0.000 0.822 455 A HN 0.316 nan 8.150 nan 0.000 0.443 456 Y N 0.159 120.242 120.300 -0.361 0.000 2.128 456 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 456 Y C 2.659 178.403 175.900 -0.260 0.000 1.154 456 Y CA 1.900 59.853 58.100 -0.244 0.000 1.149 456 Y CB -0.594 37.783 38.460 -0.138 0.000 0.976 456 Y HN 0.398 nan 8.280 nan 0.000 0.505 457 C N 0.469 119.726 119.300 -0.071 0.000 2.440 457 C HA -0.135 4.325 4.460 -0.000 0.000 0.278 457 C C 2.433 177.328 174.990 -0.159 0.000 1.295 457 C CA 1.104 60.072 59.018 -0.084 0.000 1.738 457 C CB -1.264 26.489 27.740 0.023 0.000 1.987 457 C HN 0.609 nan 8.230 nan 0.000 0.492 458 N N 1.197 119.718 118.700 -0.299 0.000 2.142 458 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 458 N C 1.544 176.763 175.510 -0.485 0.000 1.023 458 N CA 0.856 53.691 53.050 -0.358 0.000 0.852 458 N CB -0.725 37.464 38.487 -0.497 0.000 0.998 458 N HN 0.404 nan 8.380 nan 0.000 0.424 459 L N 1.233 121.987 121.223 -0.781 0.000 2.042 459 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 459 L C 2.016 178.704 176.870 -0.302 0.000 1.076 459 L CA 1.696 56.242 54.840 -0.490 0.000 0.749 459 L CB -1.013 40.777 42.059 -0.447 0.000 0.893 459 L HN 0.138 nan 8.230 nan 0.000 0.432 460 A N -1.380 121.219 122.820 -0.369 0.000 1.917 460 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 460 A C 2.454 180.014 177.584 -0.040 0.000 1.182 460 A CA 1.971 53.847 52.037 -0.268 0.000 0.633 460 A CB -1.185 17.599 19.000 -0.361 0.000 0.819 460 A HN 0.776 nan 8.150 nan 0.000 0.448 461 H N -1.166 117.838 119.070 -0.111 0.000 2.395 461 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 461 H C 2.150 177.417 175.328 -0.102 0.000 1.070 461 H CA 1.595 57.580 56.048 -0.106 0.000 1.356 461 H CB 0.030 29.631 29.762 -0.268 0.000 1.401 461 H HN 0.532 nan 8.280 nan 0.000 0.524 462 C N 0.847 120.074 119.300 -0.121 0.000 2.436 462 C HA -0.147 4.313 4.460 -0.000 0.000 0.277 462 C C 3.020 177.957 174.990 -0.088 0.000 1.241 462 C CA 0.720 59.675 59.018 -0.105 0.000 1.721 462 C CB -1.085 26.664 27.740 0.016 0.000 2.043 462 C HN 0.506 nan 8.230 nan 0.000 0.472 463 L N 0.512 121.704 121.223 -0.051 0.000 2.079 463 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 463 L C 2.683 179.590 176.870 0.060 0.000 1.081 463 L CA 1.726 56.568 54.840 0.003 0.000 0.752 463 L CB -0.876 41.194 42.059 0.018 0.000 0.896 463 L HN 0.381 nan 8.230 nan 0.000 0.433 464 Q N 0.774 120.611 119.800 0.061 0.000 2.084 464 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 464 Q C 2.126 178.170 176.000 0.074 0.000 0.978 464 Q CA 1.653 57.548 55.803 0.153 0.000 0.844 464 Q CB -0.166 28.661 28.738 0.148 0.000 0.898 464 Q HN 0.474 nan 8.270 nan 0.000 0.426 465 I N -0.098 120.401 120.570 -0.118 0.000 2.226 465 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 465 I C 1.814 177.933 176.117 0.004 0.000 1.100 465 I CA 1.387 62.629 61.300 -0.096 0.000 1.374 465 I CB -0.224 37.640 38.000 -0.227 0.000 1.057 465 I HN 0.265 nan 8.210 nan 0.000 0.413 466 V N -2.799 117.103 119.914 -0.020 0.000 3.514 466 V HA 0.166 4.286 4.120 -0.000 0.000 0.301 466 V C 0.887 176.935 176.094 -0.076 0.000 1.346 466 V CA -0.727 61.556 62.300 -0.028 0.000 1.156 466 V CB -1.048 30.749 31.823 -0.042 0.000 1.029 466 V HN 0.575 nan 8.190 nan 0.000 0.428 467 C N 1.191 120.454 119.300 -0.062 0.000 4.424 467 C HA -0.152 4.308 4.460 -0.000 0.000 0.304 467 C C 0.447 175.080 174.990 -0.595 0.000 1.344 467 C CA 1.003 59.830 59.018 -0.318 0.000 2.033 467 C CB -2.795 24.724 27.740 -0.369 0.000 1.264 467 C HN 0.926 nan 8.230 nan 0.000 0.750 468 D N -0.035 120.228 120.400 -0.229 0.000 2.428 468 D HA 0.292 4.932 4.640 -0.000 0.000 0.221 468 D C 0.358 176.731 176.300 0.123 0.000 1.123 468 D CA -0.248 53.709 54.000 -0.071 0.000 0.869 468 D CB 0.331 41.133 40.800 0.004 0.000 1.032 468 D HN 0.572 nan 8.370 nan 0.000 0.506 469 W N 3.081 124.450 121.300 0.115 0.000 3.151 469 W HA 0.141 4.801 4.660 -0.000 0.000 0.424 469 W C 0.290 176.856 176.519 0.078 0.000 1.012 469 W CA -0.755 56.578 57.345 -0.020 0.000 2.018 469 W CB -1.142 28.019 29.460 -0.498 0.000 1.087 469 W HN 0.177 nan 8.180 nan 0.000 0.740 470 T N 2.805 117.541 114.554 0.304 0.000 2.792 470 T HA -0.044 4.306 4.350 -0.000 0.000 0.286 470 T C 0.460 175.267 174.700 0.178 0.000 0.970 470 T CA 0.723 62.954 62.100 0.219 0.000 1.187 470 T CB 0.102 69.058 68.868 0.148 0.000 0.915 470 T HN 0.115 nan 8.240 nan 0.000 0.529 471 D N 1.349 121.844 120.400 0.157 0.000 2.723 471 D HA -0.213 4.427 4.640 -0.000 0.000 0.236 471 D C 0.437 176.808 176.300 0.118 0.000 1.138 471 D CA 0.568 54.637 54.000 0.115 0.000 0.676 471 D CB -1.251 39.597 40.800 0.080 0.000 1.069 471 D HN 0.806 nan 8.370 nan 0.000 0.430 472 Y N 1.013 121.334 120.300 0.034 0.000 2.097 472 Y HA -0.241 4.309 4.550 -0.000 0.000 0.282 472 Y C 1.990 177.869 175.900 -0.035 0.000 1.152 472 Y CA 2.254 60.352 58.100 -0.003 0.000 1.136 472 Y CB 0.113 38.536 38.460 -0.061 0.000 0.975 472 Y HN -0.039 nan 8.280 nan 0.000 0.498 473 D N 0.103 120.545 120.400 0.071 0.000 2.116 473 D HA -0.229 4.411 4.640 -0.000 0.000 0.193 473 D C 2.100 178.350 176.300 -0.082 0.000 0.998 473 D CA 1.746 55.733 54.000 -0.022 0.000 0.836 473 D CB -0.397 40.421 40.800 0.030 0.000 0.951 473 D HN 0.595 nan 8.370 nan 0.000 0.449 474 E N 0.612 120.788 120.200 -0.039 0.000 2.150 474 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 474 E C 2.130 178.701 176.600 -0.049 0.000 0.985 474 E CA 0.440 56.821 56.400 -0.032 0.000 0.814 474 E CB 0.142 29.843 29.700 0.003 0.000 0.752 474 E HN 0.103 nan 8.360 nan 0.000 0.466 475 R N -0.264 120.190 120.500 -0.077 0.000 2.073 475 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 475 R C 2.379 178.578 176.300 -0.168 0.000 1.134 475 R CA 1.701 57.757 56.100 -0.073 0.000 0.952 475 R CB -0.049 30.157 30.300 -0.156 0.000 0.850 475 R HN 0.176 nan 8.270 nan 0.000 0.433 476 M N 0.677 120.085 119.600 -0.320 0.000 2.213 476 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 476 M C 2.055 178.260 176.300 -0.158 0.000 1.062 476 M CA 1.491 56.610 55.300 -0.303 0.000 1.105 476 M CB -0.678 31.710 32.600 -0.352 0.000 1.385 476 M HN 0.152 nan 8.290 nan 0.000 0.417 477 K N 0.417 120.746 120.400 -0.118 0.000 2.103 477 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 477 K C 2.107 178.665 176.600 -0.070 0.000 1.052 477 K CA 1.097 57.341 56.287 -0.072 0.000 0.945 477 K CB 0.125 32.591 32.500 -0.057 0.000 0.722 477 K HN 0.169 nan 8.250 nan 0.000 0.443 478 K N 0.601 120.952 120.400 -0.080 0.000 2.167 478 K HA -0.024 4.296 4.320 -0.000 0.000 0.203 478 K C 2.031 178.558 176.600 -0.122 0.000 1.052 478 K CA 0.538 56.748 56.287 -0.128 0.000 0.956 478 K CB 0.095 32.468 32.500 -0.212 0.000 0.735 478 K HN 0.112 nan 8.250 nan 0.000 0.451 479 L N 0.456 121.632 121.223 -0.079 0.000 2.017 479 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 479 L C 2.303 179.136 176.870 -0.062 0.000 1.073 479 L CA 1.048 55.828 54.840 -0.099 0.000 0.745 479 L CB -0.437 41.452 42.059 -0.284 0.000 0.894 479 L HN 0.032 nan 8.230 nan 0.000 0.432 480 V N -0.485 119.411 119.914 -0.029 0.000 2.287 480 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 480 V C 2.762 178.875 176.094 0.030 0.000 1.053 480 V CA 2.085 64.418 62.300 0.054 0.000 1.027 480 V CB -0.652 31.221 31.823 0.083 0.000 0.646 480 V HN 0.608 nan 8.190 nan 0.000 0.447 481 S N -0.188 115.503 115.700 -0.014 0.000 2.383 481 S HA -0.192 4.278 4.470 -0.000 0.000 0.229 481 S C 1.943 176.501 174.600 -0.070 0.000 1.030 481 S CA 1.875 60.055 58.200 -0.034 0.000 1.002 481 S CB -0.491 62.673 63.200 -0.059 0.000 0.829 481 S HN 0.543 nan 8.310 nan 0.000 0.467 482 I N 0.973 121.487 120.570 -0.093 0.000 2.202 482 I HA -0.096 4.074 4.170 -0.000 0.000 0.242 482 I C 2.421 178.473 176.117 -0.108 0.000 1.091 482 I CA 1.065 62.306 61.300 -0.099 0.000 1.368 482 I CB -0.364 37.580 38.000 -0.095 0.000 1.058 482 I HN 0.224 nan 8.210 nan 0.000 0.410 483 V N 1.039 120.877 119.914 -0.126 0.000 2.427 483 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 483 V C 2.701 178.556 176.094 -0.399 0.000 1.051 483 V CA 1.850 64.017 62.300 -0.221 0.000 1.048 483 V CB -1.073 30.624 31.823 -0.209 0.000 0.666 483 V HN 0.473 nan 8.190 nan 0.000 0.456 484 A N 0.302 122.907 122.820 -0.358 0.000 1.902 484 A HA -0.316 4.004 4.320 -0.000 0.000 0.217 484 A C 2.059 179.537 177.584 -0.177 0.000 1.181 484 A CA 2.288 54.126 52.037 -0.331 0.000 0.623 484 A CB -0.701 18.316 19.000 0.028 0.000 0.818 484 A HN 0.623 nan 8.150 nan 0.000 0.443 485 D N -1.251 119.078 120.400 -0.118 0.000 2.149 485 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 485 D C 2.139 178.387 176.300 -0.086 0.000 0.972 485 D CA 1.399 55.352 54.000 -0.078 0.000 0.835 485 D CB -0.062 40.700 40.800 -0.062 0.000 0.966 485 D HN 0.599 nan 8.370 nan 0.000 0.476 486 Q N -0.315 119.419 119.800 -0.110 0.000 2.083 486 Q HA -0.029 4.311 4.340 -0.000 0.000 0.198 486 Q C 2.423 178.361 176.000 -0.103 0.000 0.969 486 Q CA 0.710 56.459 55.803 -0.091 0.000 0.838 486 Q CB 0.004 28.693 28.738 -0.082 0.000 0.900 486 Q HN 0.370 nan 8.270 nan 0.000 0.436 487 L N 0.821 121.945 121.223 -0.165 0.000 2.083 487 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 487 L C 2.543 179.363 176.870 -0.083 0.000 1.083 487 L CA 1.092 55.842 54.840 -0.150 0.000 0.752 487 L CB -0.390 41.506 42.059 -0.272 0.000 0.899 487 L HN 0.336 nan 8.230 nan 0.000 0.433 488 E N 0.724 120.878 120.200 -0.076 0.000 2.208 488 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 488 E C 1.478 178.064 176.600 -0.023 0.000 0.988 488 E CA 0.910 57.293 56.400 -0.029 0.000 0.828 488 E CB 0.262 29.953 29.700 -0.014 0.000 0.763 488 E HN 0.437 nan 8.360 nan 0.000 0.478 489 K N 0.422 120.802 120.400 -0.034 0.000 2.387 489 K HA 0.028 4.348 4.320 -0.000 0.000 0.198 489 K C 0.237 176.822 176.600 -0.024 0.000 1.022 489 K CA 0.107 56.379 56.287 -0.025 0.000 1.128 489 K CB 0.151 32.636 32.500 -0.026 0.000 0.853 489 K HN -0.007 nan 8.250 nan 0.000 0.523 490 N N 1.780 120.462 118.700 -0.030 0.000 2.754 490 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 490 N C -1.273 174.218 175.510 -0.031 0.000 1.093 490 N CA 0.617 53.651 53.050 -0.027 0.000 0.699 490 N CB -0.643 37.835 38.487 -0.016 0.000 1.016 490 N HN 0.203 nan 8.380 nan 0.000 0.552 491 R N -0.331 120.145 120.500 -0.040 0.000 2.758 491 R HA 0.522 4.862 4.340 -0.000 0.000 0.265 491 R C -0.163 176.105 176.300 -0.054 0.000 1.016 491 R CA -1.217 54.859 56.100 -0.039 0.000 1.040 491 R CB 0.744 31.025 30.300 -0.031 0.000 1.152 491 R HN 0.146 nan 8.270 nan 0.000 0.503 492 L N 3.175 124.361 121.223 -0.061 0.000 2.369 492 L HA 0.254 4.594 4.340 -0.000 0.000 0.279 492 L C -2.304 174.534 176.870 -0.054 0.000 1.108 492 L CA -1.575 53.210 54.840 -0.092 0.000 0.852 492 L CB 0.267 42.235 42.059 -0.151 0.000 1.169 492 L HN 0.355 nan 8.230 nan 0.000 0.452 493 P HA 0.139 nan 4.420 nan 0.000 0.268 493 P C 0.158 177.494 177.300 0.059 0.000 1.205 493 P CA 0.049 63.148 63.100 -0.002 0.000 0.771 493 P CB 0.666 32.361 31.700 -0.007 0.000 0.858 494 S N 0.149 115.881 115.700 0.053 0.000 2.555 494 S HA 0.018 4.488 4.470 -0.000 0.000 0.230 494 S C 0.778 175.448 174.600 0.116 0.000 0.978 494 S CA 0.229 58.478 58.200 0.080 0.000 0.934 494 S CB -0.163 63.071 63.200 0.058 0.000 0.766 494 S HN 0.264 nan 8.310 nan 0.000 0.533 495 V N 3.108 123.095 119.914 0.122 0.000 2.432 495 V HA 0.180 4.300 4.120 -0.000 0.000 0.275 495 V C 0.384 176.529 176.094 0.084 0.000 1.043 495 V CA -0.811 61.587 62.300 0.165 0.000 0.925 495 V CB 0.770 32.716 31.823 0.205 0.000 0.985 495 V HN 0.431 nan 8.190 nan 0.000 0.466 496 H N 7.356 126.373 119.070 -0.088 0.000 2.652 496 H HA 0.162 4.718 4.556 -0.000 0.000 0.349 496 H C -1.794 173.310 175.328 -0.374 0.000 1.099 496 H CA -1.548 54.252 56.048 -0.413 0.000 1.417 496 H CB 2.163 31.529 29.762 -0.660 0.000 1.457 496 H HN 0.363 nan 8.280 nan 0.000 0.568 497 P HA -0.165 nan 4.420 nan 0.000 0.216 497 P C 1.283 178.670 177.300 0.146 0.000 1.150 497 P CA 1.236 64.175 63.100 -0.269 0.000 0.837 497 P CB 0.082 31.529 31.700 -0.422 0.000 0.786 498 H N -1.070 118.110 119.070 0.183 0.000 2.457 498 H HA -0.069 4.487 4.556 -0.000 0.000 0.294 498 H C 1.570 176.957 175.328 0.098 0.000 1.064 498 H CA 1.518 57.727 56.048 0.269 0.000 1.330 498 H CB -0.593 29.364 29.762 0.324 0.000 1.395 498 H HN 0.367 nan 8.280 nan 0.000 0.541 499 H N -1.368 117.728 119.070 0.043 0.000 2.547 499 H HA 0.034 4.590 4.556 -0.000 0.000 0.272 499 H C 2.341 177.448 175.328 -0.368 0.000 0.971 499 H CA 0.548 56.433 56.048 -0.271 0.000 1.245 499 H CB 0.520 30.055 29.762 -0.378 0.000 1.440 499 H HN 0.334 nan 8.280 nan 0.000 0.540 500 S N 1.747 117.425 115.700 -0.036 0.000 2.419 500 S HA -0.258 4.212 4.470 -0.000 0.000 0.235 500 S C 2.123 176.677 174.600 -0.077 0.000 1.019 500 S CA 1.297 59.481 58.200 -0.027 0.000 0.982 500 S CB -0.505 62.731 63.200 0.061 0.000 0.789 500 S HN 0.573 nan 8.310 nan 0.000 0.490 501 M N 0.126 119.697 119.600 -0.047 0.000 2.446 501 M HA 0.155 4.635 4.480 -0.000 0.000 0.263 501 M C 1.587 177.846 176.300 -0.069 0.000 1.066 501 M CA 1.373 56.662 55.300 -0.020 0.000 1.087 501 M CB -0.703 31.926 32.600 0.048 0.000 1.406 501 M HN 0.241 nan 8.290 nan 0.000 0.459 502 L N -0.734 120.351 121.223 -0.230 0.000 2.477 502 L HA 0.199 4.539 4.340 -0.000 0.000 0.220 502 L C -0.021 176.775 176.870 -0.123 0.000 1.106 502 L CA -0.185 54.517 54.840 -0.230 0.000 0.851 502 L CB -0.112 41.747 42.059 -0.334 0.000 0.994 502 L HN 0.201 nan 8.230 nan 0.000 0.462 503 Y N -0.401 119.930 120.300 0.052 0.000 2.487 503 Y HA 0.355 4.905 4.550 -0.000 0.000 0.337 503 Y C -1.862 174.033 175.900 -0.008 0.000 1.076 503 Y CA -3.872 54.236 58.100 0.013 0.000 1.115 503 Y CB -0.270 38.200 38.460 0.017 0.000 1.235 503 Y HN -0.186 nan 8.280 nan 0.000 0.468 504 P HA 0.122 nan 4.420 nan 0.000 0.228 504 P C -0.636 176.681 177.300 0.030 0.000 1.748 504 P CA 0.369 63.490 63.100 0.036 0.000 0.909 504 P CB -0.377 31.326 31.700 0.005 0.000 1.882 505 L N 0.221 121.484 121.223 0.067 0.000 2.399 505 L HA 0.249 4.589 4.340 -0.000 0.000 0.266 505 L C 1.348 178.180 176.870 -0.063 0.000 1.114 505 L CA -0.663 54.234 54.840 0.095 0.000 0.804 505 L CB 0.544 42.733 42.059 0.217 0.000 1.146 505 L HN 0.086 nan 8.230 nan 0.000 0.451 506 S N -0.470 115.137 115.700 -0.156 0.000 2.579 506 S HA 0.034 4.504 4.470 -0.000 0.000 0.275 506 S C 1.144 175.644 174.600 -0.167 0.000 1.345 506 S CA -0.467 57.567 58.200 -0.277 0.000 1.031 506 S CB 0.464 63.379 63.200 -0.476 0.000 0.892 506 S HN 0.563 nan 8.310 nan 0.000 0.529 507 H N 2.465 121.493 119.070 -0.070 0.000 2.353 507 H HA -0.099 4.457 4.556 -0.000 0.000 0.298 507 H C 2.357 177.675 175.328 -0.017 0.000 1.103 507 H CA 1.879 57.897 56.048 -0.050 0.000 1.293 507 H CB -1.028 28.691 29.762 -0.071 0.000 1.372 507 H HN 0.869 nan 8.280 nan 0.000 0.501 508 G N 0.790 109.641 108.800 0.086 0.000 2.446 508 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 508 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 508 G C 1.425 176.461 174.900 0.228 0.000 1.168 508 G CA 0.560 45.720 45.100 0.099 0.000 0.771 508 G HN 0.214 nan 8.290 nan 0.000 0.551 509 F N 1.390 121.352 119.950 0.020 0.000 2.161 509 F HA 0.012 4.539 4.527 -0.000 0.000 0.300 509 F C 2.842 178.655 175.800 0.022 0.000 1.089 509 F CA 0.894 58.904 58.000 0.017 0.000 1.282 509 F CB -0.676 38.330 39.000 0.010 0.000 1.010 509 F HN 0.106 nan 8.300 nan 0.000 0.485 510 R N 0.131 120.761 120.500 0.216 0.000 2.073 510 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 510 R C 2.233 178.595 176.300 0.104 0.000 1.134 510 R CA 1.472 57.648 56.100 0.127 0.000 0.952 510 R CB -0.487 29.865 30.300 0.087 0.000 0.850 510 R HN 0.204 nan 8.270 nan 0.000 0.433 511 K N 0.653 121.114 120.400 0.102 0.000 2.057 511 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 511 K C 2.101 178.749 176.600 0.080 0.000 1.049 511 K CA 1.411 57.747 56.287 0.082 0.000 0.931 511 K CB -0.098 32.441 32.500 0.065 0.000 0.714 511 K HN 0.157 nan 8.250 nan 0.000 0.440 512 A N 1.291 124.168 122.820 0.096 0.000 1.877 512 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 512 A C 2.080 179.688 177.584 0.040 0.000 1.186 512 A CA 1.593 53.671 52.037 0.069 0.000 0.620 512 A CB -0.630 18.422 19.000 0.086 0.000 0.822 512 A HN 0.341 nan 8.150 nan 0.000 0.443 513 I N -0.187 120.408 120.570 0.041 0.000 2.151 513 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 513 I C 3.012 179.134 176.117 0.008 0.000 1.080 513 I CA 1.258 62.575 61.300 0.028 0.000 1.339 513 I CB -0.396 37.611 38.000 0.012 0.000 1.039 513 I HN 0.379 nan 8.210 nan 0.000 0.409 514 A N 0.024 122.847 122.820 0.005 0.000 1.883 514 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 514 A C 2.365 179.969 177.584 0.033 0.000 1.186 514 A CA 2.052 54.096 52.037 0.012 0.000 0.624 514 A CB -0.704 18.416 19.000 0.200 0.000 0.822 514 A HN 0.512 nan 8.150 nan 0.000 0.444 515 E N -0.502 119.726 120.200 0.046 0.000 2.051 515 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 515 E C 2.219 178.829 176.600 0.015 0.000 0.991 515 E CA 0.956 57.373 56.400 0.028 0.000 0.799 515 E CB -0.178 29.531 29.700 0.015 0.000 0.748 515 E HN 0.357 nan 8.360 nan 0.000 0.449 516 R N 0.082 120.583 120.500 0.002 0.000 2.103 516 R HA -0.144 4.196 4.340 -0.000 0.000 0.242 516 R C 2.274 178.521 176.300 -0.088 0.000 1.142 516 R CA 1.255 57.333 56.100 -0.037 0.000 0.960 516 R CB -1.046 29.226 30.300 -0.046 0.000 0.858 516 R HN 0.504 nan 8.270 nan 0.000 0.439 517 H N -1.030 117.927 119.070 -0.189 0.000 2.363 517 H HA -0.011 4.545 4.556 -0.000 0.000 0.301 517 H C 1.996 177.229 175.328 -0.160 0.000 1.074 517 H CA 1.426 57.301 56.048 -0.289 0.000 1.354 517 H CB -0.018 29.358 29.762 -0.644 0.000 1.397 517 H HN 0.335 nan 8.280 nan 0.000 0.516 518 G N 1.249 110.096 108.800 0.078 0.000 2.450 518 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 518 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 518 G C 1.522 176.595 174.900 0.288 0.000 1.130 518 G CA 0.499 45.794 45.100 0.326 0.000 0.760 518 G HN 0.372 nan 8.290 nan 0.000 0.557 519 N N 0.473 119.254 118.700 0.134 0.000 2.453 519 N HA 0.003 4.743 4.740 -0.000 0.000 0.183 519 N C 2.125 177.675 175.510 0.067 0.000 1.041 519 N CA 0.316 53.430 53.050 0.106 0.000 0.900 519 N CB -0.169 38.343 38.487 0.042 0.000 0.961 519 N HN 0.322 nan 8.380 nan 0.000 0.443 520 L N -0.045 121.197 121.223 0.031 0.000 2.191 520 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 520 L C 2.000 178.890 176.870 0.033 0.000 1.103 520 L CA 0.655 55.496 54.840 0.002 0.000 0.769 520 L CB -0.422 41.612 42.059 -0.041 0.000 0.908 520 L HN 0.198 nan 8.230 nan 0.000 0.438 521 C N -0.374 118.971 119.300 0.075 0.000 2.432 521 C HA -0.080 4.380 4.460 -0.000 0.000 0.280 521 C C 2.674 177.670 174.990 0.011 0.000 1.353 521 C CA 0.194 59.233 59.018 0.035 0.000 1.766 521 C CB -0.793 26.949 27.740 0.004 0.000 1.924 521 C HN 0.453 nan 8.230 nan 0.000 0.509 522 L N 0.788 122.040 121.223 0.049 0.000 2.027 522 L HA -0.149 4.191 4.340 -0.000 0.000 0.206 522 L C 2.359 179.225 176.870 -0.007 0.000 1.074 522 L CA 1.526 56.385 54.840 0.032 0.000 0.745 522 L CB -0.822 41.276 42.059 0.065 0.000 0.898 522 L HN 0.375 nan 8.230 nan 0.000 0.433 523 D N 0.429 120.825 120.400 -0.006 0.000 2.178 523 D HA -0.169 4.471 4.640 -0.000 0.000 0.201 523 D C 2.045 178.322 176.300 -0.038 0.000 0.980 523 D CA 1.186 55.173 54.000 -0.023 0.000 0.842 523 D CB -0.033 40.760 40.800 -0.013 0.000 0.948 523 D HN 0.390 nan 8.370 nan 0.000 0.472 524 K N 0.482 120.865 120.400 -0.028 0.000 2.288 524 K HA -0.015 4.305 4.320 -0.000 0.000 0.201 524 K C 2.319 178.886 176.600 -0.055 0.000 1.048 524 K CA 0.519 56.786 56.287 -0.033 0.000 0.956 524 K CB 0.200 32.690 32.500 -0.017 0.000 0.746 524 K HN 0.344 nan 8.250 nan 0.000 0.461 525 I N -2.583 117.949 120.570 -0.064 0.000 3.339 525 I HA 0.030 4.200 4.170 -0.000 0.000 0.285 525 I C 1.261 177.307 176.117 -0.119 0.000 1.201 525 I CA 0.347 61.598 61.300 -0.082 0.000 1.434 525 I CB -0.098 37.857 38.000 -0.075 0.000 1.152 525 I HN -0.147 nan 8.210 nan 0.000 0.443 526 N N 1.987 120.615 118.700 -0.120 0.000 2.258 526 N HA -0.136 4.604 4.740 -0.000 0.000 0.187 526 N C 1.947 177.229 175.510 -0.381 0.000 1.012 526 N CA 1.348 54.291 53.050 -0.178 0.000 0.870 526 N CB -0.488 37.932 38.487 -0.113 0.000 0.977 526 N HN 0.301 nan 8.380 nan 0.000 0.434 527 V N 1.207 120.940 119.914 -0.301 0.000 2.594 527 V HA -0.129 3.991 4.120 -0.000 0.000 0.253 527 V C 2.100 177.968 176.094 -0.378 0.000 1.069 527 V CA 0.979 63.067 62.300 -0.354 0.000 1.082 527 V CB -0.303 31.432 31.823 -0.146 0.000 0.680 527 V HN 0.259 nan 8.190 nan 0.000 0.469 528 L N -1.274 119.803 121.223 -0.244 0.000 2.291 528 L HA -0.003 4.337 4.340 -0.000 0.000 0.214 528 L C 0.973 177.813 176.870 -0.050 0.000 1.120 528 L CA 0.745 55.518 54.840 -0.112 0.000 0.799 528 L CB -0.710 41.303 42.059 -0.076 0.000 0.925 528 L HN 0.450 nan 8.230 nan 0.000 0.446 529 H N -0.557 118.485 119.070 -0.046 0.000 2.677 529 H HA -0.151 4.405 4.556 -0.000 0.000 0.321 529 H C 0.114 175.391 175.328 -0.084 0.000 1.171 529 H CA 0.260 56.275 56.048 -0.056 0.000 1.139 529 H CB -1.386 28.349 29.762 -0.046 0.000 1.515 529 H HN 0.316 nan 8.280 nan 0.000 0.423 530 K N 1.646 122.020 120.400 -0.044 0.000 2.143 530 K HA 0.313 4.633 4.320 -0.000 0.000 0.272 530 K C -1.856 174.636 176.600 -0.179 0.000 1.001 530 K CA -1.678 54.528 56.287 -0.136 0.000 0.915 530 K CB 0.889 33.272 32.500 -0.195 0.000 1.047 530 K HN 0.069 nan 8.250 nan 0.000 0.458 531 P HA 0.236 nan 4.420 nan 0.000 0.274 531 P C -2.589 174.501 177.300 -0.350 0.000 1.246 531 P CA -1.280 61.681 63.100 -0.232 0.000 0.795 531 P CB -0.183 31.388 31.700 -0.215 0.000 1.006 532 P HA 0.077 nan 4.420 nan 0.000 0.268 532 P C -0.857 176.235 177.300 -0.347 0.000 1.205 532 P CA 0.198 63.167 63.100 -0.220 0.000 0.771 532 P CB 0.086 31.730 31.700 -0.093 0.000 0.858 533 Y N 0.384 120.497 120.300 -0.313 0.000 2.336 533 Y HA 0.126 4.676 4.550 -0.000 0.000 0.331 533 Y C 1.309 176.852 175.900 -0.595 0.000 1.211 533 Y CA 0.209 57.979 58.100 -0.550 0.000 1.346 533 Y CB 0.522 38.549 38.460 -0.722 0.000 1.271 533 Y HN 0.339 nan 8.280 nan 0.000 0.538 534 E N 2.654 122.751 120.200 -0.173 0.000 2.089 534 E HA 0.155 4.505 4.350 -0.000 0.000 0.284 534 E C -1.038 175.582 176.600 0.034 0.000 1.023 534 E CA -0.378 55.971 56.400 -0.085 0.000 0.819 534 E CB 0.279 29.998 29.700 0.033 0.000 1.076 534 E HN 0.624 nan 8.360 nan 0.000 0.396 535 H N 2.255 121.474 119.070 0.248 0.000 2.505 535 H HA 0.234 4.790 4.556 -0.000 0.000 0.355 535 H C -2.074 173.398 175.328 0.241 0.000 1.179 535 H CA -2.108 54.077 56.048 0.229 0.000 1.343 535 H CB 0.116 30.005 29.762 0.210 0.000 1.501 535 H HN 0.326 nan 8.280 nan 0.000 0.569 536 P HA -0.001 nan 4.420 nan 0.000 0.268 536 P C 0.032 177.698 177.300 0.610 0.000 1.205 536 P CA -0.219 63.111 63.100 0.383 0.000 0.771 536 P CB 0.813 32.721 31.700 0.346 0.000 0.858 537 K N 1.108 121.777 120.400 0.449 0.000 2.373 537 K HA 0.158 4.478 4.320 -0.000 0.000 0.200 537 K C 0.154 176.972 176.600 0.364 0.000 1.054 537 K CA 0.410 56.904 56.287 0.346 0.000 1.065 537 K CB 0.178 32.758 32.500 0.134 0.000 0.886 537 K HN 0.614 nan 8.250 nan 0.000 0.546 538 D N -1.526 119.161 120.400 0.478 0.000 2.798 538 D HA 0.214 4.854 4.640 -0.000 0.000 0.308 538 D C 0.212 176.712 176.300 0.332 0.000 1.187 538 D CA -0.769 53.483 54.000 0.420 0.000 1.033 538 D CB 0.448 41.370 40.800 0.205 0.000 1.445 538 D HN -0.152 nan 8.370 nan 0.000 0.550 539 L N -0.416 120.897 121.223 0.150 0.000 3.066 539 L HA 0.365 4.705 4.340 -0.000 0.000 0.265 539 L C 1.494 178.383 176.870 0.032 0.000 1.232 539 L CA -0.343 54.485 54.840 -0.020 0.000 1.031 539 L CB 0.015 41.971 42.059 -0.171 0.000 1.379 539 L HN 0.226 nan 8.230 nan 0.000 0.563 540 K N 0.701 121.142 120.400 0.069 0.000 2.057 540 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 540 K C 1.654 178.276 176.600 0.036 0.000 1.050 540 K CA 1.406 57.721 56.287 0.047 0.000 0.935 540 K CB 0.023 32.554 32.500 0.052 0.000 0.715 540 K HN 0.194 nan 8.250 nan 0.000 0.439 541 L N 0.306 121.555 121.223 0.042 0.000 2.552 541 L HA -0.016 4.324 4.340 -0.000 0.000 0.227 541 L C 1.104 177.984 176.870 0.017 0.000 1.146 541 L CA 0.730 55.582 54.840 0.020 0.000 0.858 541 L CB 0.077 42.137 42.059 0.002 0.000 0.969 541 L HN 0.009 nan 8.230 nan 0.000 0.451 542 S N -2.425 113.295 115.700 0.033 0.000 2.602 542 S HA 0.172 4.642 4.470 -0.000 0.000 0.240 542 S C 0.283 174.894 174.600 0.018 0.000 0.992 542 S CA -0.422 57.800 58.200 0.037 0.000 0.971 542 S CB -0.219 63.028 63.200 0.077 0.000 0.855 542 S HN 0.308 nan 8.310 nan 0.000 0.481 543 D N 1.647 122.054 120.400 0.013 0.000 2.686 543 D HA -0.132 4.508 4.640 -0.000 0.000 0.235 543 D C 1.139 177.429 176.300 -0.017 0.000 1.160 543 D CA 1.353 55.356 54.000 0.004 0.000 0.645 543 D CB -1.477 39.329 40.800 0.011 0.000 1.039 543 D HN 0.837 nan 8.370 nan 0.000 0.423 544 G N -0.233 108.547 108.800 -0.033 0.000 2.162 544 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.260 544 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.260 544 G C 0.375 175.192 174.900 -0.138 0.000 0.976 544 G CA 0.427 45.487 45.100 -0.067 0.000 0.655 544 G HN 0.562 nan 8.290 nan 0.000 0.533 545 R N -0.447 119.975 120.500 -0.131 0.000 2.312 545 R HA 0.532 4.872 4.340 -0.000 0.000 0.311 545 R C -0.156 175.979 176.300 -0.275 0.000 1.004 545 R CA -0.930 55.059 56.100 -0.185 0.000 0.902 545 R CB 1.640 31.904 30.300 -0.060 0.000 1.073 545 R HN 0.193 nan 8.270 nan 0.000 0.457 546 L N 3.538 124.474 121.223 -0.479 0.000 2.360 546 L HA 0.168 4.508 4.340 -0.000 0.000 0.276 546 L C -0.109 176.696 176.870 -0.107 0.000 1.121 546 L CA 0.327 54.856 54.840 -0.519 0.000 0.845 546 L CB 0.384 42.025 42.059 -0.698 0.000 1.143 546 L HN 0.403 nan 8.230 nan 0.000 0.452 547 R N 4.254 124.852 120.500 0.163 0.000 2.196 547 R HA 0.476 4.816 4.340 -0.000 0.000 0.340 547 R C -1.166 175.109 176.300 -0.042 0.000 1.043 547 R CA -0.510 55.651 56.100 0.101 0.000 0.883 547 R CB 0.979 31.211 30.300 -0.113 0.000 1.078 547 R HN 0.467 nan 8.270 nan 0.000 0.462 548 V N 2.657 122.575 119.914 0.006 0.000 2.370 548 V HA 0.434 4.554 4.120 -0.000 0.000 0.283 548 V C 0.561 176.573 176.094 -0.137 0.000 1.023 548 V CA -0.822 61.340 62.300 -0.230 0.000 0.857 548 V CB 1.750 33.315 31.823 -0.429 0.000 0.985 548 V HN 0.887 nan 8.190 nan 0.000 0.443 549 G N 3.795 112.501 108.800 -0.158 0.000 2.347 549 G HA2 0.539 4.499 3.960 -0.000 0.000 0.314 549 G HA3 0.539 4.499 3.960 -0.000 0.000 0.314 549 G C -1.182 173.738 174.900 0.033 0.000 1.126 549 G CA -0.259 44.908 45.100 0.112 0.000 0.929 549 G HN 0.537 nan 8.290 nan 0.000 0.441 550 Y N 2.041 122.567 120.300 0.377 0.000 2.367 550 Y HA 0.369 4.919 4.550 -0.000 0.000 0.342 550 Y C 0.253 176.479 175.900 0.543 0.000 0.979 550 Y CA -0.568 57.808 58.100 0.460 0.000 1.161 550 Y CB 1.920 40.699 38.460 0.531 0.000 1.155 550 Y HN 0.261 nan 8.280 nan 0.000 0.503 551 V N 3.393 123.657 119.914 0.585 0.000 2.328 551 V HA 0.548 4.668 4.120 -0.000 0.000 0.278 551 V C -0.192 176.065 176.094 0.271 0.000 1.021 551 V CA -0.352 62.217 62.300 0.449 0.000 0.838 551 V CB 1.167 33.214 31.823 0.374 0.000 0.999 551 V HN 0.753 nan 8.190 nan 0.000 0.447 552 S N 2.591 118.341 115.700 0.084 0.000 2.556 552 S HA 0.459 4.929 4.470 -0.000 0.000 0.271 552 S C 0.545 174.991 174.600 -0.257 0.000 1.135 552 S CA 0.068 58.092 58.200 -0.294 0.000 0.858 552 S CB 2.200 64.860 63.200 -0.900 0.000 1.114 552 S HN 0.898 nan 8.310 nan 0.000 0.468 553 S N 1.327 116.890 115.700 -0.228 0.000 2.614 553 S HA 0.301 4.771 4.470 -0.000 0.000 0.230 553 S C -0.363 174.092 174.600 -0.242 0.000 0.952 553 S CA -0.248 57.865 58.200 -0.145 0.000 0.949 553 S CB -0.137 63.008 63.200 -0.092 0.000 0.786 553 S HN 0.625 nan 8.310 nan 0.000 0.478 554 D N 0.884 121.028 120.400 -0.426 0.000 2.599 554 D HA 0.230 4.870 4.640 -0.000 0.000 0.249 554 D C -1.017 175.136 176.300 -0.246 0.000 1.313 554 D CA -0.338 53.389 54.000 -0.456 0.000 0.815 554 D CB -0.081 40.247 40.800 -0.787 0.000 1.077 554 D HN 0.336 nan 8.370 nan 0.000 0.492 555 F N 1.989 121.982 119.950 0.073 0.000 2.541 555 F HA 0.495 5.022 4.527 -0.000 0.000 0.347 555 F C 1.485 177.383 175.800 0.162 0.000 1.242 555 F CA -0.155 57.944 58.000 0.164 0.000 1.123 555 F CB 0.452 39.641 39.000 0.316 0.000 1.354 555 F HN -0.023 nan 8.300 nan 0.000 0.621 556 G N 1.915 110.883 108.800 0.280 0.000 2.336 556 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.286 556 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.286 556 G C -1.170 173.812 174.900 0.136 0.000 1.269 556 G CA -1.159 44.098 45.100 0.262 0.000 0.873 556 G HN 0.198 nan 8.290 nan 0.000 0.494 557 N N 1.156 119.974 118.700 0.197 0.000 2.670 557 N HA 0.179 4.919 4.740 -0.000 0.000 0.296 557 N C -0.278 175.177 175.510 -0.093 0.000 1.216 557 N CA 0.217 53.291 53.050 0.040 0.000 1.123 557 N CB -0.799 37.858 38.487 0.283 0.000 1.459 557 N HN 0.646 nan 8.380 nan 0.000 0.509 558 H N 1.593 120.339 119.070 -0.541 0.000 2.930 558 H HA 0.271 4.827 4.556 -0.000 0.000 0.371 558 H C -2.160 172.639 175.328 -0.880 0.000 1.169 558 H CA -1.491 54.271 56.048 -0.477 0.000 1.157 558 H CB 2.362 31.983 29.762 -0.235 0.000 1.789 558 H HN 0.067 nan 8.280 nan 0.000 0.547 559 P HA -0.190 nan 4.420 nan 0.000 0.218 559 P C 1.309 178.446 177.300 -0.273 0.000 1.154 559 P CA 2.311 65.106 63.100 -0.508 0.000 0.872 559 P CB 0.114 31.616 31.700 -0.331 0.000 0.790 560 T N -0.992 113.540 114.554 -0.037 0.000 2.665 560 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 560 T C 1.942 176.572 174.700 -0.118 0.000 1.035 560 T CA 2.006 64.076 62.100 -0.051 0.000 1.151 560 T CB -0.984 67.873 68.868 -0.018 0.000 0.862 560 T HN 0.135 nan 8.240 nan 0.000 0.438 561 S N 0.263 115.872 115.700 -0.151 0.000 2.419 561 S HA -0.094 4.376 4.470 -0.000 0.000 0.233 561 S C 1.633 176.211 174.600 -0.037 0.000 1.016 561 S CA 0.840 59.001 58.200 -0.065 0.000 0.974 561 S CB -0.386 62.781 63.200 -0.054 0.000 0.786 561 S HN 0.705 nan 8.310 nan 0.000 0.492 562 H N 0.323 119.285 119.070 -0.181 0.000 2.521 562 H HA 0.127 4.683 4.556 -0.000 0.000 0.286 562 H C 1.688 176.969 175.328 -0.079 0.000 1.034 562 H CA 0.617 56.574 56.048 -0.152 0.000 1.278 562 H CB -0.011 29.659 29.762 -0.153 0.000 1.386 562 H HN 0.293 nan 8.280 nan 0.000 0.567 563 L N -0.203 121.032 121.223 0.020 0.000 2.200 563 L HA 0.011 4.351 4.340 -0.000 0.000 0.200 563 L C 1.408 178.228 176.870 -0.083 0.000 1.072 563 L CA 0.518 55.326 54.840 -0.053 0.000 0.787 563 L CB 0.049 41.977 42.059 -0.218 0.000 0.957 563 L HN 0.357 nan 8.230 nan 0.000 0.459 564 M N -1.648 117.920 119.600 -0.053 0.000 2.347 564 M HA 0.161 4.641 4.480 -0.000 0.000 0.324 564 M C 1.464 177.820 176.300 0.093 0.000 1.028 564 M CA 0.169 55.480 55.300 0.019 0.000 0.988 564 M CB -0.363 32.267 32.600 0.049 0.000 1.528 564 M HN 0.101 nan 8.290 nan 0.000 0.550 565 Q N 0.048 119.911 119.800 0.106 0.000 2.297 565 Q HA -0.052 4.288 4.340 -0.000 0.000 0.208 565 Q C 1.099 177.152 176.000 0.088 0.000 0.981 565 Q CA 1.937 57.827 55.803 0.145 0.000 0.876 565 Q CB -0.600 28.263 28.738 0.208 0.000 0.921 565 Q HN 0.544 nan 8.270 nan 0.000 0.446 566 S N 0.143 115.874 115.700 0.053 0.000 2.528 566 S HA 0.165 4.635 4.470 -0.000 0.000 0.219 566 S C 1.638 176.248 174.600 0.017 0.000 0.985 566 S CA 0.057 58.272 58.200 0.024 0.000 0.914 566 S CB -0.013 63.189 63.200 0.004 0.000 0.776 566 S HN 0.340 nan 8.310 nan 0.000 0.526 567 I N 2.072 122.659 120.570 0.029 0.000 2.163 567 I HA -0.083 4.087 4.170 -0.000 0.000 0.240 567 I C -1.017 175.090 176.117 -0.017 0.000 1.081 567 I CA 1.000 62.292 61.300 -0.014 0.000 1.353 567 I CB -1.335 36.692 38.000 0.045 0.000 1.054 567 I HN 0.134 nan 8.210 nan 0.000 0.407 568 P HA -0.156 nan 4.420 nan 0.000 0.217 568 P C 1.389 178.782 177.300 0.156 0.000 1.148 568 P CA 1.619 64.844 63.100 0.209 0.000 0.828 568 P CB -0.206 31.561 31.700 0.113 0.000 0.783 569 G N -1.912 106.927 108.800 0.064 0.000 2.712 569 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.212 569 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.212 569 G C 1.211 176.127 174.900 0.028 0.000 1.142 569 G CA 0.143 45.266 45.100 0.039 0.000 0.789 569 G HN 0.234 nan 8.290 nan 0.000 0.535 570 M N 0.356 119.952 119.600 -0.007 0.000 2.428 570 M HA 0.218 4.698 4.480 -0.000 0.000 0.239 570 M C 0.202 176.456 176.300 -0.075 0.000 1.121 570 M CA -0.119 55.153 55.300 -0.046 0.000 1.019 570 M CB 0.272 32.827 32.600 -0.075 0.000 1.485 570 M HN 0.033 nan 8.290 nan 0.000 0.484 571 H N 1.552 120.620 119.070 -0.002 0.000 2.815 571 H HA 0.038 4.594 4.556 -0.000 0.000 0.350 571 H C -0.104 175.249 175.328 0.042 0.000 1.080 571 H CA 0.543 56.575 56.048 -0.027 0.000 1.433 571 H CB 0.468 30.235 29.762 0.008 0.000 1.432 571 H HN 0.046 nan 8.280 nan 0.000 0.592 572 N N 4.522 123.365 118.700 0.239 0.000 2.402 572 N HA 0.056 4.796 4.740 -0.000 0.000 0.252 572 N C -1.967 173.710 175.510 0.280 0.000 1.118 572 N CA -1.743 51.450 53.050 0.239 0.000 0.945 572 N CB 0.884 39.524 38.487 0.256 0.000 1.147 572 N HN 0.218 nan 8.380 nan 0.000 0.495 573 P HA -0.100 nan 4.420 nan 0.000 0.221 573 P C 0.519 177.879 177.300 0.099 0.000 1.145 573 P CA 0.876 64.049 63.100 0.123 0.000 0.795 573 P CB 0.326 32.067 31.700 0.068 0.000 0.775 574 D N -0.722 119.739 120.400 0.101 0.000 2.183 574 D HA -0.122 4.518 4.640 -0.000 0.000 0.203 574 D C 1.531 177.844 176.300 0.023 0.000 0.969 574 D CA 1.190 55.224 54.000 0.058 0.000 0.842 574 D CB 0.019 40.854 40.800 0.057 0.000 0.957 574 D HN -0.070 nan 8.370 nan 0.000 0.484 575 K N -1.166 119.264 120.400 0.050 0.000 2.391 575 K HA 0.167 4.487 4.320 -0.000 0.000 0.197 575 K C -0.345 175.961 176.600 -0.491 0.000 1.087 575 K CA 0.013 56.186 56.287 -0.190 0.000 1.012 575 K CB 0.972 33.367 32.500 -0.175 0.000 0.925 575 K HN 0.130 nan 8.250 nan 0.000 0.547 576 F N 0.552 120.516 119.950 0.023 0.000 2.576 576 F HA 0.363 4.889 4.527 -0.000 0.000 0.313 576 F C -0.166 175.630 175.800 -0.008 0.000 1.078 576 F CA -0.979 57.017 58.000 -0.007 0.000 0.921 576 F CB 2.287 41.282 39.000 -0.009 0.000 1.232 576 F HN -0.252 nan 8.300 nan 0.000 0.459 577 E N 2.150 122.452 120.200 0.170 0.000 2.235 577 E HA 0.481 4.831 4.350 -0.000 0.000 0.252 577 E C -1.737 174.918 176.600 0.091 0.000 0.886 577 E CA -0.488 55.977 56.400 0.109 0.000 0.767 577 E CB 1.636 31.441 29.700 0.175 0.000 1.205 577 E HN 0.432 nan 8.360 nan 0.000 0.421 578 V N 5.745 125.639 119.914 -0.035 0.000 2.408 578 V HA 0.284 4.404 4.120 -0.000 0.000 0.267 578 V C -0.457 175.564 176.094 -0.121 0.000 1.047 578 V CA -0.113 62.196 62.300 0.015 0.000 0.937 578 V CB 0.124 31.998 31.823 0.085 0.000 0.999 578 V HN 0.540 nan 8.190 nan 0.000 0.472 579 F N 3.336 123.301 119.950 0.025 0.000 2.402 579 F HA 0.431 4.958 4.527 -0.000 0.000 0.355 579 F C 0.384 176.070 175.800 -0.190 0.000 1.123 579 F CA -0.458 57.463 58.000 -0.132 0.000 1.021 579 F CB 1.232 40.106 39.000 -0.210 0.000 1.160 579 F HN 0.349 nan 8.300 nan 0.000 0.451 580 C N 3.772 122.953 119.300 -0.198 0.000 2.273 580 C HA 0.402 4.862 4.460 -0.000 0.000 0.328 580 C C -0.514 174.091 174.990 -0.642 0.000 1.275 580 C CA -0.938 57.907 59.018 -0.288 0.000 1.704 580 C CB -0.726 26.735 27.740 -0.464 0.000 2.326 580 C HN 0.616 nan 8.230 nan 0.000 0.517 581 Y N 2.263 122.540 120.300 -0.038 0.000 2.491 581 Y HA 0.484 5.034 4.550 -0.000 0.000 0.334 581 Y C 0.714 176.668 175.900 0.090 0.000 0.969 581 Y CA -0.196 57.867 58.100 -0.060 0.000 1.241 581 Y CB 0.542 39.005 38.460 0.004 0.000 1.105 581 Y HN 0.790 nan 8.280 nan 0.000 0.503 582 A N 4.096 126.921 122.820 0.007 0.000 2.362 582 A HA 0.380 4.700 4.320 -0.000 0.000 0.276 582 A C 0.542 178.243 177.584 0.195 0.000 1.153 582 A CA -0.314 51.880 52.037 0.262 0.000 0.813 582 A CB 0.351 19.516 19.000 0.275 0.000 1.081 582 A HN 1.032 nan 8.150 nan 0.000 0.507 583 L N 2.083 123.408 121.223 0.170 0.000 2.554 583 L HA 0.091 4.431 4.340 -0.000 0.000 0.225 583 L C 1.055 177.984 176.870 0.097 0.000 1.104 583 L CA 0.574 55.477 54.840 0.106 0.000 0.866 583 L CB -0.038 42.061 42.059 0.067 0.000 1.047 583 L HN 0.819 nan 8.230 nan 0.000 0.468 584 S N -0.739 115.036 115.700 0.125 0.000 2.600 584 S HA 0.657 5.127 4.470 -0.000 0.000 0.300 584 S C -2.729 171.966 174.600 0.159 0.000 1.087 584 S CA -1.494 56.776 58.200 0.116 0.000 0.965 584 S CB 2.040 65.291 63.200 0.085 0.000 1.089 584 S HN -0.187 nan 8.310 nan 0.000 0.496 585 P HA 0.224 nan 4.420 nan 0.000 0.276 585 P C -0.817 176.570 177.300 0.144 0.000 1.244 585 P CA -0.268 62.913 63.100 0.135 0.000 0.801 585 P CB 0.303 32.062 31.700 0.099 0.000 1.006 586 D N 1.149 121.630 120.400 0.136 0.000 2.472 586 D HA -0.067 4.573 4.640 -0.000 0.000 0.248 586 D C 0.540 176.899 176.300 0.098 0.000 1.174 586 D CA 0.338 54.406 54.000 0.114 0.000 0.883 586 D CB 0.213 41.056 40.800 0.072 0.000 1.149 586 D HN 0.301 nan 8.370 nan 0.000 0.488 587 D N 2.229 122.696 120.400 0.111 0.000 2.363 587 D HA 0.141 4.781 4.640 -0.000 0.000 0.214 587 D C 1.397 177.752 176.300 0.091 0.000 1.093 587 D CA 0.338 54.401 54.000 0.105 0.000 0.837 587 D CB -0.080 40.797 40.800 0.128 0.000 0.948 587 D HN 0.562 nan 8.370 nan 0.000 0.507 588 G N 0.439 109.282 108.800 0.072 0.000 2.184 588 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.264 588 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.264 588 G C 0.555 175.481 174.900 0.044 0.000 0.975 588 G CA 0.788 45.915 45.100 0.045 0.000 0.642 588 G HN 0.811 nan 8.290 nan 0.000 0.536 589 T N -1.982 112.626 114.554 0.089 0.000 2.849 589 T HA 0.504 4.854 4.350 -0.000 0.000 0.284 589 T C 1.368 176.064 174.700 -0.007 0.000 1.004 589 T CA 0.225 62.377 62.100 0.086 0.000 1.021 589 T CB 1.104 70.141 68.868 0.282 0.000 1.013 589 T HN -0.028 nan 8.240 nan 0.000 0.527 590 N N 0.272 118.863 118.700 -0.183 0.000 2.244 590 N HA -0.003 4.737 4.740 -0.000 0.000 0.183 590 N C 1.381 176.760 175.510 -0.219 0.000 1.016 590 N CA 0.757 53.652 53.050 -0.259 0.000 0.866 590 N CB -0.756 37.507 38.487 -0.373 0.000 0.980 590 N HN 0.655 nan 8.380 nan 0.000 0.430 591 F N 1.174 121.150 119.950 0.042 0.000 2.065 591 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 591 F C 2.517 178.350 175.800 0.055 0.000 1.112 591 F CA 1.048 59.090 58.000 0.071 0.000 1.212 591 F CB -0.654 38.426 39.000 0.134 0.000 0.975 591 F HN -0.007 nan 8.300 nan 0.000 0.476 592 R N 0.868 121.516 120.500 0.247 0.000 2.152 592 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 592 R C 1.825 178.068 176.300 -0.096 0.000 1.117 592 R CA 1.143 57.306 56.100 0.104 0.000 0.981 592 R CB -0.955 29.416 30.300 0.118 0.000 0.870 592 R HN 0.221 nan 8.270 nan 0.000 0.451 593 V N 0.617 120.486 119.914 -0.076 0.000 2.453 593 V HA -0.141 3.979 4.120 -0.000 0.000 0.247 593 V C 2.358 178.367 176.094 -0.141 0.000 1.048 593 V CA 1.967 64.186 62.300 -0.134 0.000 1.049 593 V CB -0.464 31.295 31.823 -0.107 0.000 0.672 593 V HN 0.381 nan 8.190 nan 0.000 0.457 594 K N 0.105 120.452 120.400 -0.089 0.000 2.031 594 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 594 K C 2.053 178.610 176.600 -0.072 0.000 1.049 594 K CA 1.443 57.689 56.287 -0.068 0.000 0.939 594 K CB -0.081 32.403 32.500 -0.028 0.000 0.717 594 K HN 0.322 nan 8.250 nan 0.000 0.438 595 V N 1.604 121.483 119.914 -0.059 0.000 2.407 595 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 595 V C 2.317 178.317 176.094 -0.158 0.000 1.055 595 V CA 1.689 63.951 62.300 -0.063 0.000 1.049 595 V CB -0.381 31.428 31.823 -0.023 0.000 0.662 595 V HN 0.386 nan 8.190 nan 0.000 0.455 596 M N -0.100 119.242 119.600 -0.431 0.000 2.229 596 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 596 M C 2.241 178.393 176.300 -0.246 0.000 1.063 596 M CA 1.827 56.771 55.300 -0.594 0.000 1.114 596 M CB -0.422 31.675 32.600 -0.839 0.000 1.387 596 M HN 0.388 nan 8.290 nan 0.000 0.420 597 A N -0.063 122.646 122.820 -0.185 0.000 2.021 597 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 597 A C 1.805 179.335 177.584 -0.090 0.000 1.163 597 A CA 1.114 53.077 52.037 -0.123 0.000 0.676 597 A CB -0.205 18.731 19.000 -0.106 0.000 0.818 597 A HN 0.497 nan 8.150 nan 0.000 0.453 598 E N -0.494 119.662 120.200 -0.072 0.000 2.372 598 E HA 0.321 4.671 4.350 -0.000 0.000 0.201 598 E C 0.785 177.366 176.600 -0.032 0.000 0.938 598 E CA 0.168 56.542 56.400 -0.043 0.000 0.944 598 E CB 0.195 29.883 29.700 -0.021 0.000 0.937 598 E HN 0.500 nan 8.360 nan 0.000 0.495 599 A N 1.406 124.212 122.820 -0.023 0.000 2.498 599 A HA 0.013 4.333 4.320 -0.000 0.000 0.239 599 A C 0.430 177.938 177.584 -0.126 0.000 1.068 599 A CA -0.003 52.020 52.037 -0.023 0.000 0.766 599 A CB 0.029 19.049 19.000 0.032 0.000 1.003 599 A HN 0.190 nan 8.150 nan 0.000 0.497 600 N N 0.218 118.792 118.700 -0.209 0.000 2.166 600 N HA -0.071 4.669 4.740 -0.000 0.000 0.186 600 N C -0.027 175.015 175.510 -0.781 0.000 1.019 600 N CA 1.357 54.142 53.050 -0.442 0.000 0.856 600 N CB -0.025 38.207 38.487 -0.424 0.000 0.993 600 N HN 0.758 nan 8.380 nan 0.000 0.426 601 H N -1.496 117.354 119.070 -0.368 0.000 2.865 601 H HA 0.222 4.778 4.556 -0.000 0.000 0.362 601 H C -1.658 173.572 175.328 -0.163 0.000 1.114 601 H CA -0.681 55.191 56.048 -0.293 0.000 1.208 601 H CB 1.433 30.906 29.762 -0.483 0.000 1.727 601 H HN -0.049 nan 8.280 nan 0.000 0.534 602 F N 3.361 123.245 119.950 -0.109 0.000 2.460 602 F HA 0.417 4.944 4.527 -0.000 0.000 0.341 602 F C -1.242 174.503 175.800 -0.091 0.000 1.130 602 F CA -0.784 57.130 58.000 -0.142 0.000 0.962 602 F CB 0.601 39.517 39.000 -0.140 0.000 1.171 602 F HN 0.307 nan 8.300 nan 0.000 0.436 603 I N 5.120 125.440 120.570 -0.417 0.000 2.378 603 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 603 I C -0.540 175.493 176.117 -0.140 0.000 0.992 603 I CA -0.540 60.659 61.300 -0.168 0.000 1.154 603 I CB 1.384 39.300 38.000 -0.141 0.000 1.315 603 I HN 0.384 nan 8.210 nan 0.000 0.448 604 D N 6.624 127.062 120.400 0.064 0.000 2.468 604 D HA 0.202 4.842 4.640 -0.000 0.000 0.218 604 D C 0.781 177.145 176.300 0.105 0.000 1.155 604 D CA 0.041 54.114 54.000 0.121 0.000 0.924 604 D CB 0.682 41.597 40.800 0.190 0.000 1.029 604 D HN 0.474 nan 8.370 nan 0.000 0.515 605 L N 2.312 123.599 121.223 0.106 0.000 2.552 605 L HA -0.078 4.262 4.340 -0.000 0.000 0.227 605 L C 2.257 179.174 176.870 0.078 0.000 1.146 605 L CA 0.383 55.279 54.840 0.093 0.000 0.858 605 L CB -0.252 41.862 42.059 0.092 0.000 0.969 605 L HN 0.335 nan 8.230 nan 0.000 0.451 606 S N -0.875 114.880 115.700 0.093 0.000 2.507 606 S HA -0.192 4.278 4.470 -0.000 0.000 0.235 606 S C 1.610 176.251 174.600 0.069 0.000 0.988 606 S CA 0.758 59.007 58.200 0.082 0.000 0.944 606 S CB -0.116 63.143 63.200 0.097 0.000 0.762 606 S HN 0.550 nan 8.310 nan 0.000 0.526 607 Q N 0.029 119.871 119.800 0.070 0.000 2.319 607 Q HA 0.392 4.732 4.340 -0.000 0.000 0.202 607 Q C -0.176 175.853 176.000 0.048 0.000 0.896 607 Q CA 0.188 56.026 55.803 0.059 0.000 0.942 607 Q CB 0.348 29.125 28.738 0.064 0.000 1.083 607 Q HN 0.630 nan 8.270 nan 0.000 0.510 608 I N 2.252 122.850 120.570 0.046 0.000 2.620 608 I HA 0.156 4.326 4.170 -0.000 0.000 0.280 608 I C -1.745 174.387 176.117 0.024 0.000 1.143 608 I CA -1.611 59.709 61.300 0.033 0.000 1.163 608 I CB 0.926 38.944 38.000 0.030 0.000 1.461 608 I HN -0.102 nan 8.210 nan 0.000 0.530 609 P HA -0.149 nan 4.420 nan 0.000 0.218 609 P C 0.857 178.164 177.300 0.012 0.000 1.149 609 P CA 0.742 63.855 63.100 0.021 0.000 0.817 609 P CB 0.089 31.802 31.700 0.023 0.000 0.785 610 C N 2.471 121.776 119.300 0.009 0.000 2.624 610 C HA 0.178 4.638 4.460 -0.000 0.000 0.397 610 C C 2.025 177.010 174.990 -0.009 0.000 1.331 610 C CA -0.604 58.415 59.018 0.002 0.000 1.716 610 C CB -1.625 26.117 27.740 0.004 0.000 2.452 610 C HN 0.163 nan 8.230 nan 0.000 0.586 611 N N 3.735 122.425 118.700 -0.018 0.000 2.272 611 N HA -0.084 4.656 4.740 -0.000 0.000 0.185 611 N C 1.901 177.390 175.510 -0.034 0.000 1.014 611 N CA 1.622 54.651 53.050 -0.036 0.000 0.870 611 N CB -0.283 38.177 38.487 -0.044 0.000 0.975 611 N HN 0.956 nan 8.380 nan 0.000 0.433 612 G N 1.724 110.514 108.800 -0.018 0.000 2.453 612 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.215 612 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.215 612 G C 1.532 176.440 174.900 0.014 0.000 1.201 612 G CA 0.588 45.688 45.100 0.000 0.000 0.784 612 G HN 0.303 nan 8.290 nan 0.000 0.545 613 K N 0.728 121.132 120.400 0.006 0.000 2.211 613 K HA 0.095 4.415 4.320 -0.000 0.000 0.203 613 K C 2.829 179.425 176.600 -0.006 0.000 1.050 613 K CA 0.838 57.131 56.287 0.010 0.000 0.945 613 K CB -0.109 32.398 32.500 0.012 0.000 0.732 613 K HN 0.290 nan 8.250 nan 0.000 0.451 614 A N 1.692 124.496 122.820 -0.027 0.000 1.872 614 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 614 A C 2.417 179.923 177.584 -0.131 0.000 1.187 614 A CA 1.464 53.465 52.037 -0.060 0.000 0.614 614 A CB -0.517 18.447 19.000 -0.060 0.000 0.826 614 A HN 0.278 nan 8.150 nan 0.000 0.442 615 A N 0.135 122.876 122.820 -0.132 0.000 1.933 615 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 615 A C 1.741 179.194 177.584 -0.218 0.000 1.175 615 A CA 1.876 53.786 52.037 -0.212 0.000 0.628 615 A CB -0.591 18.343 19.000 -0.111 0.000 0.814 615 A HN 0.453 nan 8.150 nan 0.000 0.444 616 D N -0.535 119.842 120.400 -0.038 0.000 2.104 616 D HA -0.178 4.462 4.640 -0.000 0.000 0.194 616 D C 2.092 178.366 176.300 -0.043 0.000 0.994 616 D CA 1.609 55.627 54.000 0.029 0.000 0.830 616 D CB -0.276 40.575 40.800 0.085 0.000 0.959 616 D HN 0.360 nan 8.370 nan 0.000 0.452 617 R N 1.077 121.540 120.500 -0.061 0.000 2.080 617 R HA -0.076 4.264 4.340 -0.000 0.000 0.236 617 R C 2.356 178.585 176.300 -0.120 0.000 1.137 617 R CA 1.078 57.148 56.100 -0.051 0.000 0.943 617 R CB -0.978 29.321 30.300 -0.001 0.000 0.846 617 R HN 0.207 nan 8.270 nan 0.000 0.431 618 I N 0.029 120.442 120.570 -0.261 0.000 2.151 618 I HA -0.362 3.808 4.170 -0.000 0.000 0.243 618 I C 2.590 178.480 176.117 -0.378 0.000 1.080 618 I CA 2.017 63.046 61.300 -0.451 0.000 1.339 618 I CB -0.658 36.920 38.000 -0.704 0.000 1.039 618 I HN 0.435 nan 8.210 nan 0.000 0.409 619 H N 1.216 120.002 119.070 -0.474 0.000 2.387 619 H HA -0.172 4.384 4.556 -0.000 0.000 0.299 619 H C 2.115 177.265 175.328 -0.297 0.000 1.090 619 H CA 1.654 57.423 56.048 -0.465 0.000 1.332 619 H CB 0.184 29.520 29.762 -0.710 0.000 1.386 619 H HN 0.463 nan 8.280 nan 0.000 0.516 620 Q N -0.021 119.619 119.800 -0.267 0.000 2.224 620 Q HA -0.098 4.242 4.340 -0.000 0.000 0.203 620 Q C 1.600 177.430 176.000 -0.282 0.000 0.970 620 Q CA 1.185 56.843 55.803 -0.243 0.000 0.865 620 Q CB 0.246 28.928 28.738 -0.094 0.000 0.922 620 Q HN 0.460 nan 8.270 nan 0.000 0.445 621 D N -0.495 119.713 120.400 -0.320 0.000 2.312 621 D HA -0.010 4.630 4.640 -0.000 0.000 0.211 621 D C 0.855 176.801 176.300 -0.591 0.000 0.964 621 D CA 1.137 54.875 54.000 -0.437 0.000 0.877 621 D CB 0.098 40.576 40.800 -0.537 0.000 0.924 621 D HN 0.399 nan 8.370 nan 0.000 0.515 622 G N 0.798 109.259 108.800 -0.565 0.000 2.204 622 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 622 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 622 G C 0.182 174.644 174.900 -0.730 0.000 1.062 622 G CA -0.383 44.366 45.100 -0.585 0.000 0.798 622 G HN 0.185 nan 8.290 nan 0.000 0.496 623 I N 1.056 121.227 120.570 -0.665 0.000 2.683 623 I HA 0.105 4.275 4.170 -0.000 0.000 0.286 623 I C 1.599 177.383 176.117 -0.555 0.000 1.175 623 I CA 0.222 61.160 61.300 -0.603 0.000 1.429 623 I CB 0.207 37.934 38.000 -0.455 0.000 1.371 623 I HN 0.225 nan 8.210 nan 0.000 0.569 624 H N 6.042 124.903 119.070 -0.348 0.000 2.361 624 H HA 0.331 4.887 4.556 -0.000 0.000 0.308 624 H C 0.381 175.543 175.328 -0.278 0.000 1.053 624 H CA 0.831 56.664 56.048 -0.358 0.000 1.377 624 H CB 0.781 30.155 29.762 -0.647 0.000 1.434 624 H HN 0.372 nan 8.280 nan 0.000 0.548 625 I N 2.210 122.673 120.570 -0.179 0.000 2.382 625 I HA 0.121 4.291 4.170 -0.000 0.000 0.286 625 I C -0.950 175.023 176.117 -0.240 0.000 1.002 625 I CA -0.722 60.446 61.300 -0.219 0.000 1.135 625 I CB 2.322 40.100 38.000 -0.369 0.000 1.288 625 I HN -0.085 nan 8.210 nan 0.000 0.448 626 L N 8.311 129.459 121.223 -0.125 0.000 2.282 626 L HA 0.512 4.852 4.340 -0.000 0.000 0.288 626 L C -0.524 176.454 176.870 0.180 0.000 1.033 626 L CA -0.346 54.471 54.840 -0.038 0.000 0.807 626 L CB 1.608 43.602 42.059 -0.109 0.000 1.209 626 L HN 0.265 nan 8.230 nan 0.000 0.423 627 V N 4.856 124.879 119.914 0.182 0.000 2.370 627 V HA 0.423 4.543 4.120 -0.000 0.000 0.283 627 V C -0.122 176.222 176.094 0.415 0.000 1.023 627 V CA -0.808 61.655 62.300 0.271 0.000 0.857 627 V CB 1.469 33.424 31.823 0.220 0.000 0.985 627 V HN 0.744 nan 8.190 nan 0.000 0.443 628 N N 5.119 123.908 118.700 0.148 0.000 2.439 628 N HA 0.384 5.124 4.740 -0.000 0.000 0.249 628 N C 0.167 175.706 175.510 0.048 0.000 1.003 628 N CA -0.281 52.692 53.050 -0.129 0.000 0.942 628 N CB 1.372 39.330 38.487 -0.881 0.000 1.115 628 N HN 0.668 nan 8.380 nan 0.000 0.505 629 M N 2.275 121.943 119.600 0.112 0.000 2.356 629 M HA 0.198 4.678 4.480 -0.000 0.000 0.262 629 M C 0.434 176.712 176.300 -0.037 0.000 1.097 629 M CA 0.037 55.376 55.300 0.063 0.000 0.991 629 M CB 0.226 32.875 32.600 0.082 0.000 1.450 629 M HN 0.384 nan 8.290 nan 0.000 0.495 630 N N -0.016 118.642 118.700 -0.070 0.000 2.564 630 N HA 0.232 4.972 4.740 -0.000 0.000 0.202 630 N C 1.199 176.589 175.510 -0.199 0.000 1.052 630 N CA 0.928 53.919 53.050 -0.098 0.000 0.872 630 N CB 0.535 38.975 38.487 -0.077 0.000 1.303 630 N HN 0.330 nan 8.380 nan 0.000 0.440 631 G N 0.895 109.481 108.800 -0.357 0.000 2.622 631 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.307 631 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.307 631 G C -0.550 173.820 174.900 -0.884 0.000 1.226 631 G CA 0.694 45.309 45.100 -0.809 0.000 0.997 631 G HN 0.327 nan 8.290 nan 0.000 0.551 632 Y N 3.110 122.775 120.300 -1.057 0.000 2.883 632 Y HA 0.521 5.071 4.550 -0.000 0.000 0.385 632 Y C 1.463 177.274 175.900 -0.148 0.000 1.067 632 Y CA -0.023 57.769 58.100 -0.514 0.000 1.682 632 Y CB -0.227 37.904 38.460 -0.548 0.000 1.606 632 Y HN 0.776 nan 8.280 nan 0.000 0.508 633 T N -3.308 111.249 114.554 0.006 0.000 2.938 633 T HA 0.399 4.749 4.350 -0.000 0.000 0.285 633 T C -0.235 174.530 174.700 0.110 0.000 1.028 633 T CA -1.300 60.878 62.100 0.129 0.000 1.005 633 T CB 1.797 70.740 68.868 0.125 0.000 1.157 633 T HN 0.176 nan 8.240 nan 0.000 0.550 634 K N -0.124 120.348 120.400 0.121 0.000 2.484 634 K HA 0.342 4.662 4.320 -0.000 0.000 0.280 634 K C 1.356 177.984 176.600 0.046 0.000 1.013 634 K CA 1.320 57.659 56.287 0.087 0.000 1.029 634 K CB -0.570 31.989 32.500 0.098 0.000 0.902 634 K HN 1.137 nan 8.250 nan 0.000 0.481 635 G N 1.818 110.645 108.800 0.045 0.000 2.175 635 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 635 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 635 G C 0.113 175.027 174.900 0.023 0.000 0.982 635 G CA 0.043 45.158 45.100 0.024 0.000 0.641 635 G HN 0.918 nan 8.290 nan 0.000 0.527 636 A N -0.117 122.723 122.820 0.033 0.000 2.445 636 A HA 0.731 5.051 4.320 -0.000 0.000 0.242 636 A C 0.844 178.463 177.584 0.058 0.000 1.075 636 A CA 0.456 52.514 52.037 0.034 0.000 0.777 636 A CB 0.277 19.287 19.000 0.017 0.000 1.013 636 A HN 0.517 nan 8.150 nan 0.000 0.493 637 R N 1.829 122.371 120.500 0.070 0.000 2.738 637 R HA 0.153 4.493 4.340 -0.000 0.000 0.280 637 R C -0.203 176.147 176.300 0.083 0.000 1.456 637 R CA -0.448 55.689 56.100 0.061 0.000 1.612 637 R CB 0.370 30.694 30.300 0.039 0.000 1.286 637 R HN 0.763 nan 8.270 nan 0.000 0.660 638 N N 1.037 119.788 118.700 0.084 0.000 2.520 638 N HA -0.143 4.597 4.740 -0.000 0.000 0.185 638 N C 0.666 176.104 175.510 -0.120 0.000 1.068 638 N CA 0.993 54.088 53.050 0.075 0.000 0.911 638 N CB 0.421 38.955 38.487 0.079 0.000 0.961 638 N HN 0.412 nan 8.380 nan 0.000 0.446 639 E N 0.916 121.057 120.200 -0.097 0.000 2.160 639 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 639 E C 1.987 178.480 176.600 -0.178 0.000 0.991 639 E CA 0.479 56.786 56.400 -0.156 0.000 0.810 639 E CB -0.266 29.386 29.700 -0.081 0.000 0.742 639 E HN 0.360 nan 8.360 nan 0.000 0.466 640 L N -0.681 120.453 121.223 -0.149 0.000 2.042 640 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 640 L C 1.940 178.584 176.870 -0.377 0.000 1.076 640 L CA 1.178 55.857 54.840 -0.268 0.000 0.749 640 L CB -0.365 41.487 42.059 -0.345 0.000 0.893 640 L HN 0.152 nan 8.230 nan 0.000 0.432 641 F N -0.503 119.285 119.950 -0.270 0.000 2.293 641 F HA -0.006 4.521 4.527 -0.000 0.000 0.297 641 F C 2.572 178.139 175.800 -0.389 0.000 1.089 641 F CA 0.744 58.596 58.000 -0.245 0.000 1.377 641 F CB -0.591 38.341 39.000 -0.113 0.000 1.051 641 F HN -0.042 nan 8.300 nan 0.000 0.511 642 A N 0.173 122.597 122.820 -0.661 0.000 1.978 642 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 642 A C 2.105 179.606 177.584 -0.138 0.000 1.170 642 A CA 1.405 53.050 52.037 -0.653 0.000 0.636 642 A CB -1.023 17.592 19.000 -0.642 0.000 0.810 642 A HN 0.433 nan 8.150 nan 0.000 0.448 643 L N -1.659 119.501 121.223 -0.105 0.000 2.395 643 L HA 0.029 4.369 4.340 -0.000 0.000 0.218 643 L C 0.325 177.275 176.870 0.134 0.000 1.130 643 L CA 0.017 54.872 54.840 0.025 0.000 0.826 643 L CB -0.165 41.925 42.059 0.051 0.000 0.941 643 L HN 0.360 nan 8.230 nan 0.000 0.451 644 R N -0.702 119.840 120.500 0.070 0.000 3.079 644 R HA -0.144 4.196 4.340 -0.000 0.000 0.254 644 R C -2.037 174.376 176.300 0.187 0.000 0.900 644 R CA 0.271 56.447 56.100 0.126 0.000 0.641 644 R CB -1.283 29.141 30.300 0.207 0.000 1.307 644 R HN 0.247 nan 8.270 nan 0.000 0.477 645 P HA 0.050 nan 4.420 nan 0.000 0.245 645 P C -0.060 177.191 177.300 -0.082 0.000 1.206 645 P CA 0.842 63.708 63.100 -0.389 0.000 0.781 645 P CB 0.645 31.957 31.700 -0.646 0.000 0.994 646 A N 1.097 123.837 122.820 -0.134 0.000 2.374 646 A HA 0.603 4.923 4.320 -0.000 0.000 0.317 646 A C -1.893 175.341 177.584 -0.584 0.000 1.094 646 A CA -1.820 50.075 52.037 -0.238 0.000 0.765 646 A CB 1.126 19.981 19.000 -0.241 0.000 1.268 646 A HN -0.193 nan 8.150 nan 0.000 0.438 647 P HA -0.002 nan 4.420 nan 0.000 0.219 647 P C 0.058 177.050 177.300 -0.514 0.000 1.150 647 P CA 1.252 63.848 63.100 -0.840 0.000 0.814 647 P CB 0.139 31.374 31.700 -0.774 0.000 0.787 648 I N -0.096 120.297 120.570 -0.296 0.000 2.466 648 I HA 0.283 4.453 4.170 -0.000 0.000 0.289 648 I C -0.266 175.852 176.117 0.001 0.000 1.026 648 I CA -0.636 60.617 61.300 -0.079 0.000 1.078 648 I CB 2.147 40.168 38.000 0.034 0.000 1.249 648 I HN -0.218 nan 8.210 nan 0.000 0.429 649 Q N 5.464 125.316 119.800 0.087 0.000 2.292 649 Q HA 0.793 5.133 4.340 -0.000 0.000 0.270 649 Q C -1.074 175.030 176.000 0.173 0.000 1.024 649 Q CA -0.764 55.140 55.803 0.168 0.000 0.768 649 Q CB 3.064 31.970 28.738 0.280 0.000 1.250 649 Q HN 0.760 nan 8.270 nan 0.000 0.447 650 A N 3.299 126.221 122.820 0.170 0.000 2.374 650 A HA 0.779 5.099 4.320 -0.000 0.000 0.317 650 A C -0.600 177.057 177.584 0.122 0.000 1.094 650 A CA -0.780 51.363 52.037 0.176 0.000 0.765 650 A CB 1.198 20.331 19.000 0.223 0.000 1.268 650 A HN 0.637 nan 8.150 nan 0.000 0.438 651 M N 1.141 120.804 119.600 0.105 0.000 2.216 651 M HA 0.309 4.789 4.480 -0.000 0.000 0.356 651 M C -1.110 175.347 176.300 0.263 0.000 1.205 651 M CA 0.162 55.517 55.300 0.092 0.000 1.122 651 M CB 0.721 33.340 32.600 0.032 0.000 1.571 651 M HN 0.783 nan 8.290 nan 0.000 0.464 652 W N 5.001 126.334 121.300 0.053 0.000 3.405 652 W HA 0.407 5.067 4.660 -0.000 0.000 0.329 652 W C -0.285 176.311 176.519 0.129 0.000 1.142 652 W CA -0.562 56.852 57.345 0.116 0.000 1.235 652 W CB 0.857 30.457 29.460 0.233 0.000 1.341 652 W HN 0.641 nan 8.180 nan 0.000 0.481 653 L N 4.395 125.414 121.223 -0.340 0.000 3.530 653 L HA -0.300 4.040 4.340 -0.000 0.000 0.357 653 L C 1.698 178.423 176.870 -0.241 0.000 2.051 653 L CA 3.211 57.734 54.840 -0.528 0.000 2.804 653 L CB -1.715 39.446 42.059 -1.496 0.000 1.640 653 L HN 0.824 nan 8.230 nan 0.000 0.757 654 G N -2.328 106.359 108.800 -0.188 0.000 2.408 654 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 654 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 654 G C 0.264 175.218 174.900 0.090 0.000 1.150 654 G CA 1.044 46.118 45.100 -0.043 0.000 0.776 654 G HN 0.503 nan 8.290 nan 0.000 0.542 655 Y N 1.997 122.253 120.300 -0.073 0.000 2.328 655 Y HA 0.493 5.043 4.550 -0.000 0.000 0.333 655 Y C -2.146 173.737 175.900 -0.029 0.000 0.958 655 Y CA -3.239 54.805 58.100 -0.094 0.000 1.167 655 Y CB 2.379 40.734 38.460 -0.173 0.000 1.151 655 Y HN -0.081 nan 8.280 nan 0.000 0.470 656 P HA 0.343 nan 4.420 nan 0.000 0.220 656 P C -0.243 176.807 177.300 -0.417 0.000 1.806 656 P CA 0.447 63.386 63.100 -0.268 0.000 0.976 656 P CB 0.051 31.712 31.700 -0.066 0.000 1.952 657 G N -0.885 107.663 108.800 -0.420 0.000 2.430 657 G HA2 0.322 4.282 3.960 -0.000 0.000 0.300 657 G HA3 0.322 4.282 3.960 -0.000 0.000 0.300 657 G C -1.635 173.375 174.900 0.183 0.000 1.330 657 G CA -0.427 44.568 45.100 -0.175 0.000 0.813 657 G HN 0.132 nan 8.290 nan 0.000 0.487 658 T N -0.931 113.768 114.554 0.242 0.000 2.909 658 T HA 0.472 4.822 4.350 -0.000 0.000 0.286 658 T C 1.835 176.685 174.700 0.250 0.000 1.002 658 T CA 0.728 62.983 62.100 0.258 0.000 1.074 658 T CB 1.061 70.044 68.868 0.192 0.000 0.984 658 T HN 1.401 nan 8.240 nan 0.000 0.495 659 S N 2.832 118.578 115.700 0.077 0.000 2.461 659 S HA 0.167 4.637 4.470 -0.000 0.000 0.228 659 S C 1.980 176.644 174.600 0.107 0.000 1.005 659 S CA 0.844 59.013 58.200 -0.052 0.000 0.942 659 S CB -0.752 62.289 63.200 -0.266 0.000 0.776 659 S HN 1.714 nan 8.310 nan 0.000 0.514 660 G N 1.019 109.850 108.800 0.052 0.000 2.186 660 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.266 660 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.266 660 G C 0.199 175.051 174.900 -0.079 0.000 0.982 660 G CA 0.394 45.508 45.100 0.024 0.000 0.670 660 G HN 1.362 nan 8.290 nan 0.000 0.533 661 A N -0.900 121.779 122.820 -0.236 0.000 2.320 661 A HA 0.838 5.158 4.320 -0.000 0.000 0.334 661 A C 1.311 178.595 177.584 -0.500 0.000 1.147 661 A CA -0.158 51.583 52.037 -0.493 0.000 0.820 661 A CB 0.917 19.256 19.000 -1.100 0.000 1.218 661 A HN 0.483 nan 8.150 nan 0.000 0.482 662 L N 0.502 121.497 121.223 -0.379 0.000 2.131 662 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 662 L C 1.906 178.692 176.870 -0.141 0.000 1.092 662 L CA 1.571 56.300 54.840 -0.185 0.000 0.759 662 L CB -0.569 41.463 42.059 -0.046 0.000 0.903 662 L HN 0.946 nan 8.230 nan 0.000 0.435 663 F N -2.198 117.772 119.950 0.035 0.000 2.771 663 F HA 0.166 4.693 4.527 -0.000 0.000 0.299 663 F C 0.685 176.509 175.800 0.041 0.000 1.177 663 F CA -0.280 57.752 58.000 0.053 0.000 1.450 663 F CB -0.676 38.380 39.000 0.092 0.000 1.114 663 F HN -0.026 nan 8.300 nan 0.000 0.587 664 M N 1.362 120.923 119.600 -0.065 0.000 2.311 664 M HA 0.293 4.773 4.480 -0.000 0.000 0.325 664 M C 0.228 176.474 176.300 -0.090 0.000 1.061 664 M CA -0.484 54.795 55.300 -0.034 0.000 0.957 664 M CB 1.346 33.875 32.600 -0.119 0.000 1.646 664 M HN -0.043 nan 8.290 nan 0.000 0.434 665 D N 2.353 122.702 120.400 -0.085 0.000 2.468 665 D HA 0.068 4.708 4.640 -0.000 0.000 0.243 665 D C -0.430 175.609 176.300 -0.435 0.000 0.994 665 D CA 1.346 55.178 54.000 -0.280 0.000 0.932 665 D CB 0.192 40.815 40.800 -0.294 0.000 1.078 665 D HN 0.460 nan 8.370 nan 0.000 0.473 666 Y N -0.122 120.166 120.300 -0.021 0.000 2.549 666 Y HA 0.511 5.061 4.550 -0.000 0.000 0.339 666 Y C -0.111 175.776 175.900 -0.022 0.000 1.053 666 Y CA -0.998 57.083 58.100 -0.031 0.000 1.105 666 Y CB 2.380 40.836 38.460 -0.007 0.000 1.258 666 Y HN -0.223 nan 8.280 nan 0.000 0.478 667 I N 3.469 124.111 120.570 0.120 0.000 2.410 667 I HA 0.433 4.603 4.170 -0.000 0.000 0.286 667 I C -1.150 174.983 176.117 0.027 0.000 1.009 667 I CA -0.618 60.705 61.300 0.039 0.000 1.111 667 I CB 0.492 38.454 38.000 -0.063 0.000 1.262 667 I HN 0.551 nan 8.210 nan 0.000 0.443 668 I N 7.722 128.345 120.570 0.088 0.000 2.517 668 I HA 0.157 4.327 4.170 -0.000 0.000 0.285 668 I C 0.493 176.580 176.117 -0.049 0.000 1.106 668 I CA 0.668 62.035 61.300 0.112 0.000 1.402 668 I CB 0.831 38.983 38.000 0.253 0.000 1.399 668 I HN 0.662 nan 8.210 nan 0.000 0.535 669 T N 4.137 118.698 114.554 0.013 0.000 2.627 669 T HA 0.447 4.797 4.350 -0.000 0.000 0.294 669 T C -1.963 172.854 174.700 0.196 0.000 1.230 669 T CA -0.486 61.561 62.100 -0.088 0.000 1.084 669 T CB 1.445 70.167 68.868 -0.244 0.000 1.693 669 T HN 0.751 nan 8.240 nan 0.000 0.465 670 D N -0.862 119.580 120.400 0.069 0.000 2.626 670 D HA 0.338 4.978 4.640 -0.000 0.000 0.278 670 D C 0.583 176.429 176.300 -0.756 0.000 1.211 670 D CA -0.689 53.163 54.000 -0.246 0.000 0.903 670 D CB 0.987 41.801 40.800 0.024 0.000 1.408 670 D HN 0.511 nan 8.370 nan 0.000 0.454 671 Q N -0.811 118.402 119.800 -0.978 0.000 2.224 671 Q HA -0.140 4.200 4.340 -0.000 0.000 0.203 671 Q C 0.923 176.755 176.000 -0.281 0.000 0.970 671 Q CA 1.158 56.472 55.803 -0.815 0.000 0.865 671 Q CB 0.193 28.653 28.738 -0.462 0.000 0.922 671 Q HN 0.449 nan 8.270 nan 0.000 0.445 672 E N -0.220 119.882 120.200 -0.164 0.000 2.046 672 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 672 E C 2.032 178.638 176.600 0.009 0.000 0.982 672 E CA 1.608 57.983 56.400 -0.042 0.000 0.800 672 E CB -0.425 29.272 29.700 -0.006 0.000 0.756 672 E HN 0.322 nan 8.360 nan 0.000 0.449 673 T N 1.101 115.683 114.554 0.047 0.000 2.737 673 T HA -0.023 4.327 4.350 -0.000 0.000 0.265 673 T C 1.022 175.796 174.700 0.124 0.000 1.038 673 T CA 1.097 63.276 62.100 0.132 0.000 1.144 673 T CB -0.007 69.031 68.868 0.285 0.000 0.866 673 T HN -0.053 nan 8.240 nan 0.000 0.434 674 S N 2.471 118.213 115.700 0.070 0.000 2.060 674 S HA 0.321 4.791 4.470 -0.000 0.000 0.156 674 S C -2.710 171.964 174.600 0.124 0.000 1.690 674 S CA -1.165 57.121 58.200 0.144 0.000 1.238 674 S CB 1.117 64.357 63.200 0.066 0.000 1.150 674 S HN 0.287 nan 8.310 nan 0.000 0.437 675 P HA 0.143 nan 4.420 nan 0.000 0.269 675 P C 0.721 178.101 177.300 0.133 0.000 1.215 675 P CA -0.154 63.001 63.100 0.092 0.000 0.780 675 P CB 0.761 32.492 31.700 0.051 0.000 0.898 676 A N 2.889 125.789 122.820 0.133 0.000 2.070 676 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 676 A C 1.863 179.449 177.584 0.004 0.000 1.159 676 A CA 1.380 53.442 52.037 0.041 0.000 0.656 676 A CB -0.980 18.012 19.000 -0.013 0.000 0.800 676 A HN 0.693 nan 8.150 nan 0.000 0.453 677 E N 0.434 120.646 120.200 0.020 0.000 2.274 677 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 677 E C 1.092 177.687 176.600 -0.008 0.000 0.996 677 E CA 1.606 58.008 56.400 0.003 0.000 0.840 677 E CB -0.681 29.023 29.700 0.006 0.000 0.772 677 E HN 0.651 nan 8.360 nan 0.000 0.491 678 V N -1.923 117.994 119.914 0.005 0.000 3.099 678 V HA 0.565 4.685 4.120 -0.000 0.000 0.356 678 V C 1.672 177.797 176.094 0.052 0.000 1.364 678 V CA 0.110 62.381 62.300 -0.050 0.000 1.229 678 V CB 0.144 31.901 31.823 -0.111 0.000 1.227 678 V HN 0.199 nan 8.190 nan 0.000 0.493 679 A N 1.441 124.321 122.820 0.100 0.000 2.216 679 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 679 A C 1.857 179.566 177.584 0.208 0.000 1.160 679 A CA 1.317 53.483 52.037 0.215 0.000 0.725 679 A CB -0.234 18.795 19.000 0.047 0.000 0.784 679 A HN 0.829 nan 8.150 nan 0.000 0.472 680 E N 0.277 120.512 120.200 0.058 0.000 2.502 680 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 680 E C 1.568 178.146 176.600 -0.037 0.000 1.062 680 E CA 0.778 57.192 56.400 0.023 0.000 0.867 680 E CB -0.427 29.271 29.700 -0.004 0.000 0.888 680 E HN 0.881 nan 8.360 nan 0.000 0.510 681 Q N -0.223 119.477 119.800 -0.168 0.000 2.424 681 Q HA 0.045 4.385 4.340 -0.000 0.000 0.204 681 Q C -0.305 175.482 176.000 -0.354 0.000 0.933 681 Q CA 0.197 55.823 55.803 -0.294 0.000 0.929 681 Q CB -0.131 28.314 28.738 -0.488 0.000 1.037 681 Q HN 0.331 nan 8.270 nan 0.000 0.511 682 Y N 0.438 120.758 120.300 0.033 0.000 2.496 682 Y HA 0.298 4.848 4.550 -0.000 0.000 0.331 682 Y C 1.292 177.208 175.900 0.027 0.000 1.140 682 Y CA -0.452 57.671 58.100 0.039 0.000 1.166 682 Y CB 1.832 40.319 38.460 0.045 0.000 1.249 682 Y HN 0.093 nan 8.280 nan 0.000 0.479 683 S N -1.666 114.135 115.700 0.168 0.000 2.506 683 S HA 0.190 4.660 4.470 -0.000 0.000 0.219 683 S C -0.031 174.579 174.600 0.016 0.000 1.031 683 S CA -0.292 57.946 58.200 0.064 0.000 0.911 683 S CB -0.121 63.086 63.200 0.012 0.000 0.812 683 S HN 0.640 nan 8.310 nan 0.000 0.497 684 E N 2.115 122.336 120.200 0.035 0.000 2.371 684 E HA 0.402 4.752 4.350 -0.000 0.000 0.257 684 E C -0.309 176.239 176.600 -0.087 0.000 1.134 684 E CA -0.423 55.942 56.400 -0.058 0.000 0.919 684 E CB 0.432 30.113 29.700 -0.031 0.000 1.025 684 E HN 0.026 nan 8.360 nan 0.000 0.438 685 K N 1.257 121.517 120.400 -0.233 0.000 2.298 685 K HA 0.234 4.554 4.320 -0.000 0.000 0.280 685 K C -0.108 176.488 176.600 -0.005 0.000 1.032 685 K CA -0.147 55.956 56.287 -0.306 0.000 0.958 685 K CB 0.339 32.541 32.500 -0.496 0.000 0.978 685 K HN 0.448 nan 8.250 nan 0.000 0.472 686 L N 1.644 122.964 121.223 0.161 0.000 2.416 686 L HA 0.198 4.538 4.340 -0.000 0.000 0.272 686 L C 0.422 177.305 176.870 0.022 0.000 1.161 686 L CA -0.344 54.530 54.840 0.057 0.000 0.845 686 L CB 0.616 42.648 42.059 -0.044 0.000 1.119 686 L HN 0.584 nan 8.230 nan 0.000 0.464 687 A N 3.775 126.618 122.820 0.038 0.000 2.363 687 A HA 0.552 4.872 4.320 -0.000 0.000 0.296 687 A C -1.095 176.567 177.584 0.130 0.000 1.237 687 A CA -0.506 51.526 52.037 -0.007 0.000 0.773 687 A CB 0.370 19.331 19.000 -0.065 0.000 1.153 687 A HN 0.442 nan 8.150 nan 0.000 0.473 688 Y N 2.513 122.799 120.300 -0.024 0.000 2.335 688 Y HA 0.353 4.903 4.550 -0.000 0.000 0.331 688 Y C 0.804 176.686 175.900 -0.029 0.000 1.094 688 Y CA -1.254 56.839 58.100 -0.012 0.000 1.253 688 Y CB 0.722 39.173 38.460 -0.014 0.000 1.203 688 Y HN 0.500 nan 8.280 nan 0.000 0.508 689 M N 5.453 125.150 119.600 0.162 0.000 2.250 689 M HA 0.196 4.676 4.480 -0.000 0.000 0.344 689 M C -1.305 175.003 176.300 0.013 0.000 1.150 689 M CA -2.164 53.167 55.300 0.052 0.000 1.147 689 M CB 0.672 33.330 32.600 0.098 0.000 1.498 689 M HN 0.287 nan 8.290 nan 0.000 0.461 690 P HA -0.112 nan 4.420 nan 0.000 0.216 690 P C 0.362 177.427 177.300 -0.393 0.000 1.150 690 P CA 1.825 64.776 63.100 -0.249 0.000 0.837 690 P CB 0.238 31.731 31.700 -0.345 0.000 0.786 691 H N -3.193 115.895 119.070 0.030 0.000 3.466 691 H HA 0.286 4.842 4.556 -0.000 0.000 0.213 691 H C 0.352 175.706 175.328 0.042 0.000 1.290 691 H CA 0.367 56.432 56.048 0.029 0.000 1.639 691 H CB -0.540 29.243 29.762 0.035 0.000 1.500 691 H HN -0.170 nan 8.280 nan 0.000 0.504 692 T N 0.269 114.962 114.554 0.232 0.000 2.885 692 T HA 0.213 4.563 4.350 -0.000 0.000 0.285 692 T C 0.345 175.216 174.700 0.285 0.000 1.019 692 T CA -0.752 61.450 62.100 0.169 0.000 1.010 692 T CB 0.593 69.487 68.868 0.043 0.000 1.022 692 T HN 0.356 nan 8.240 nan 0.000 0.466 693 F N 3.127 123.246 119.950 0.280 0.000 2.558 693 F HA 0.429 4.956 4.527 -0.000 0.000 0.298 693 F C 0.147 176.205 175.800 0.430 0.000 1.119 693 F CA -0.570 57.680 58.000 0.417 0.000 1.451 693 F CB -0.378 38.816 39.000 0.322 0.000 1.091 693 F HN 0.380 nan 8.300 nan 0.000 0.563 694 F N 1.883 121.383 119.950 -0.750 0.000 2.443 694 F HA 0.443 4.970 4.527 -0.000 0.000 0.353 694 F C -0.112 175.396 175.800 -0.486 0.000 1.101 694 F CA -0.667 56.896 58.000 -0.728 0.000 1.226 694 F CB 0.865 39.403 39.000 -0.771 0.000 1.140 694 F HN -0.049 nan 8.300 nan 0.000 0.557 695 I N 3.247 123.430 120.570 -0.645 0.000 2.865 695 I HA 0.763 4.933 4.170 -0.000 0.000 0.302 695 I C -0.706 175.210 176.117 -0.334 0.000 1.140 695 I CA -0.492 60.446 61.300 -0.604 0.000 1.021 695 I CB 2.226 39.575 38.000 -1.085 0.000 1.233 695 I HN 0.506 nan 8.210 nan 0.000 0.427 696 G N 2.910 111.610 108.800 -0.167 0.000 2.620 696 G HA2 0.395 4.355 3.960 -0.000 0.000 0.301 696 G HA3 0.395 4.355 3.960 -0.000 0.000 0.301 696 G C -1.150 173.870 174.900 0.200 0.000 1.347 696 G CA -0.356 44.828 45.100 0.140 0.000 0.971 696 G HN 0.549 nan 8.290 nan 0.000 0.488 697 D N -0.698 119.809 120.400 0.178 0.000 2.491 697 D HA 0.148 4.788 4.640 -0.000 0.000 0.228 697 D C 1.292 177.476 176.300 -0.192 0.000 1.183 697 D CA -0.179 53.812 54.000 -0.014 0.000 0.827 697 D CB 0.149 40.917 40.800 -0.053 0.000 0.989 697 D HN 0.421 nan 8.370 nan 0.000 0.494 698 H N -0.349 118.505 119.070 -0.360 0.000 2.387 698 H HA 0.042 4.598 4.556 -0.000 0.000 0.299 698 H C 2.100 176.775 175.328 -1.089 0.000 1.090 698 H CA 1.391 56.960 56.048 -0.798 0.000 1.332 698 H CB -0.251 28.796 29.762 -1.192 0.000 1.386 698 H HN 0.228 nan 8.280 nan 0.000 0.516 699 A N 0.568 122.895 122.820 -0.822 0.000 2.024 699 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 699 A C 2.239 179.722 177.584 -0.169 0.000 1.164 699 A CA 2.047 53.819 52.037 -0.442 0.000 0.643 699 A CB -0.426 18.492 19.000 -0.137 0.000 0.806 699 A HN 0.489 nan 8.150 nan 0.000 0.451 700 N N -1.212 117.358 118.700 -0.217 0.000 2.368 700 N HA 0.063 4.803 4.740 -0.000 0.000 0.178 700 N C 1.665 177.039 175.510 -0.227 0.000 1.021 700 N CA 1.351 54.307 53.050 -0.156 0.000 0.875 700 N CB -0.232 38.181 38.487 -0.123 0.000 1.020 700 N HN 0.428 nan 8.380 nan 0.000 0.433 701 M N -0.992 118.333 119.600 -0.458 0.000 2.236 701 M HA 0.084 4.564 4.480 -0.000 0.000 0.266 701 M C -0.271 175.660 176.300 -0.616 0.000 1.070 701 M CA 1.019 55.891 55.300 -0.713 0.000 1.137 701 M CB 0.155 31.990 32.600 -1.275 0.000 1.378 701 M HN 0.021 nan 8.290 nan 0.000 0.426 702 F N -0.326 119.633 119.950 0.016 0.000 2.530 702 F HA 0.337 4.864 4.527 -0.000 0.000 0.318 702 F C -1.846 174.144 175.800 0.318 0.000 1.356 702 F CA -2.576 55.559 58.000 0.226 0.000 1.135 702 F CB -0.554 38.538 39.000 0.154 0.000 1.315 702 F HN -0.065 nan 8.300 nan 0.000 0.549 703 P HA -0.177 nan 4.420 nan 0.000 0.223 703 P C 1.425 178.905 177.300 0.301 0.000 1.151 703 P CA 1.474 64.770 63.100 0.327 0.000 0.787 703 P CB -0.177 31.640 31.700 0.195 0.000 0.788 704 H N -0.395 118.800 119.070 0.208 0.000 2.545 704 H HA 0.075 4.631 4.556 -0.000 0.000 0.282 704 H C 1.395 176.815 175.328 0.153 0.000 1.020 704 H CA 0.413 56.553 56.048 0.154 0.000 1.243 704 H CB -1.122 28.720 29.762 0.134 0.000 1.377 704 H HN 0.191 nan 8.280 nan 0.000 0.581 705 L N 0.267 121.371 121.223 -0.199 0.000 2.611 705 L HA 0.117 4.457 4.340 -0.000 0.000 0.229 705 L C 2.120 178.835 176.870 -0.257 0.000 1.137 705 L CA -0.014 54.706 54.840 -0.199 0.000 0.901 705 L CB 0.058 42.007 42.059 -0.183 0.000 1.098 705 L HN 0.081 nan 8.230 nan 0.000 0.456 706 K N 0.812 121.108 120.400 -0.174 0.000 2.148 706 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 706 K C 0.261 176.704 176.600 -0.263 0.000 1.050 706 K CA 1.034 57.111 56.287 -0.350 0.000 0.942 706 K CB 0.260 32.683 32.500 -0.128 0.000 0.724 706 K HN 0.270 nan 8.250 nan 0.000 0.446 707 K N 0.832 121.241 120.400 0.016 0.000 2.375 707 K HA 0.230 4.550 4.320 -0.000 0.000 0.249 707 K C -0.799 175.941 176.600 0.233 0.000 0.942 707 K CA -0.750 55.663 56.287 0.210 0.000 0.806 707 K CB 2.322 34.895 32.500 0.122 0.000 1.227 707 K HN -0.067 nan 8.250 nan 0.000 0.430 708 K N -0.247 120.293 120.400 0.233 0.000 2.378 708 K HA 0.875 5.195 4.320 -0.000 0.000 0.244 708 K C -1.427 175.182 176.600 0.014 0.000 1.039 708 K CA -1.068 55.263 56.287 0.073 0.000 0.863 708 K CB 2.199 34.675 32.500 -0.039 0.000 1.326 708 K HN 0.549 nan 8.250 nan 0.000 0.460 709 A N 0.549 123.371 122.820 0.003 0.000 2.549 709 A HA 0.598 4.918 4.320 -0.000 0.000 0.297 709 A C -0.927 176.659 177.584 0.003 0.000 1.061 709 A CA -0.581 51.454 52.037 -0.003 0.000 0.690 709 A CB 1.556 20.572 19.000 0.027 0.000 1.287 709 A HN 0.798 nan 8.150 nan 0.000 0.402 710 V N -0.637 119.275 119.914 -0.003 0.000 3.103 710 V HA 0.847 4.967 4.120 -0.000 0.000 0.318 710 V C -0.333 175.794 176.094 0.055 0.000 1.114 710 V CA -0.972 61.346 62.300 0.030 0.000 1.020 710 V CB 1.574 33.409 31.823 0.021 0.000 1.085 710 V HN 0.756 nan 8.190 nan 0.000 0.446 711 I N 1.154 121.789 120.570 0.108 0.000 2.493 711 I HA 0.488 4.658 4.170 -0.000 0.000 0.298 711 I C -1.152 175.094 176.117 0.214 0.000 0.998 711 I CA -0.263 61.117 61.300 0.133 0.000 1.137 711 I CB 1.920 40.000 38.000 0.133 0.000 1.310 711 I HN 0.740 nan 8.210 nan 0.000 0.445 712 D N 6.042 126.524 120.400 0.137 0.000 2.280 712 D HA 0.401 5.041 4.640 -0.000 0.000 0.236 712 D C -1.259 175.119 176.300 0.131 0.000 1.082 712 D CA -0.229 53.799 54.000 0.046 0.000 0.834 712 D CB 0.698 41.462 40.800 -0.060 0.000 1.100 712 D HN 0.219 nan 8.370 nan 0.000 0.486 713 F N 1.408 121.363 119.950 0.008 0.000 2.434 713 F HA 0.575 5.102 4.527 -0.000 0.000 0.355 713 F C 0.085 175.891 175.800 0.010 0.000 1.115 713 F CA -1.130 56.877 58.000 0.012 0.000 1.010 713 F CB 0.581 39.597 39.000 0.026 0.000 1.234 713 F HN -0.091 nan 8.300 nan 0.000 0.439 720 Y N 3.964 124.154 120.300 -0.183 0.000 2.326 720 Y HA 0.267 4.817 4.550 -0.000 0.000 0.324 720 Y C 1.333 177.163 175.900 -0.118 0.000 1.291 720 Y CA -0.410 57.608 58.100 -0.137 0.000 1.348 720 Y CB 0.597 38.992 38.460 -0.108 0.000 1.294 720 Y HN 0.601 nan 8.280 nan 0.000 0.525 721 D N -1.007 119.422 120.400 0.048 0.000 2.431 721 D HA 0.016 4.656 4.640 -0.000 0.000 0.213 721 D C -0.222 176.038 176.300 -0.068 0.000 1.130 721 D CA 0.073 54.029 54.000 -0.073 0.000 0.834 721 D CB -0.341 40.350 40.800 -0.181 0.000 0.985 721 D HN 0.630 nan 8.370 nan 0.000 0.504 722 N N 0.020 118.721 118.700 0.002 0.000 2.453 722 N HA 0.092 4.832 4.740 -0.000 0.000 0.267 722 N C 0.679 176.193 175.510 0.006 0.000 1.482 722 N CA -0.385 52.656 53.050 -0.015 0.000 0.841 722 N CB 0.329 38.788 38.487 -0.047 0.000 1.408 722 N HN -0.153 nan 8.380 nan 0.000 0.490 723 R N 0.311 120.862 120.500 0.084 0.000 2.121 723 R HA 0.449 4.789 4.340 -0.000 0.000 0.206 723 R C 0.107 176.456 176.300 0.081 0.000 1.094 723 R CA 0.560 56.727 56.100 0.113 0.000 1.055 723 R CB 0.744 31.282 30.300 0.398 0.000 0.964 723 R HN 0.243 nan 8.270 nan 0.000 0.473 724 I N 1.698 122.351 120.570 0.138 0.000 2.497 724 I HA 0.267 4.437 4.170 -0.000 0.000 0.284 724 I C -1.015 175.145 176.117 0.071 0.000 1.060 724 I CA -0.731 60.610 61.300 0.068 0.000 1.071 724 I CB 2.577 40.608 38.000 0.051 0.000 1.216 724 I HN -0.317 nan 8.210 nan 0.000 0.442 725 V N 6.615 126.558 119.914 0.048 0.000 2.628 725 V HA 0.520 4.640 4.120 -0.000 0.000 0.306 725 V C -0.140 175.983 176.094 0.048 0.000 1.045 725 V CA -0.644 61.679 62.300 0.039 0.000 0.905 725 V CB 2.557 34.395 31.823 0.026 0.000 0.997 725 V HN 0.447 nan 8.190 nan 0.000 0.436 726 L N 3.976 125.230 121.223 0.052 0.000 2.322 726 L HA 0.613 4.953 4.340 -0.000 0.000 0.281 726 L C -0.755 176.160 176.870 0.075 0.000 1.014 726 L CA -0.460 54.420 54.840 0.066 0.000 0.815 726 L CB 1.902 44.016 42.059 0.091 0.000 1.247 726 L HN 0.708 nan 8.230 nan 0.000 0.421 727 N N 1.262 120.018 118.700 0.094 0.000 2.240 727 N HA 0.869 5.609 4.740 -0.000 0.000 0.302 727 N C -0.588 175.019 175.510 0.162 0.000 1.106 727 N CA -0.597 52.530 53.050 0.128 0.000 0.778 727 N CB 2.538 41.104 38.487 0.132 0.000 1.431 727 N HN 0.785 nan 8.380 nan 0.000 0.479 728 G N 0.122 109.028 108.800 0.176 0.000 2.405 728 G HA2 0.145 4.105 3.960 -0.000 0.000 0.303 728 G HA3 0.145 4.105 3.960 -0.000 0.000 0.303 728 G C 0.022 175.006 174.900 0.140 0.000 1.644 728 G CA -0.703 44.490 45.100 0.156 0.000 0.899 728 G HN 0.375 nan 8.290 nan 0.000 0.667 729 I N 0.446 121.097 120.570 0.136 0.000 2.423 729 I HA -0.066 4.104 4.170 -0.000 0.000 0.254 729 I C 1.234 177.408 176.117 0.095 0.000 1.151 729 I CA 1.318 62.685 61.300 0.112 0.000 1.421 729 I CB -0.283 37.772 38.000 0.091 0.000 1.079 729 I HN 0.460 nan 8.210 nan 0.000 0.431 730 D N 0.028 120.486 120.400 0.095 0.000 2.388 730 D HA 0.048 4.688 4.640 -0.000 0.000 0.221 730 D C 1.963 178.289 176.300 0.044 0.000 1.133 730 D CA -0.126 53.938 54.000 0.107 0.000 0.831 730 D CB 0.550 41.462 40.800 0.187 0.000 0.962 730 D HN 0.139 nan 8.370 nan 0.000 0.502 731 L N 1.335 122.589 121.223 0.052 0.000 2.131 731 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 731 L C 2.015 178.895 176.870 0.017 0.000 1.092 731 L CA 1.778 56.652 54.840 0.056 0.000 0.759 731 L CB -0.286 41.822 42.059 0.082 0.000 0.903 731 L HN -0.146 nan 8.230 nan 0.000 0.435 732 K N -0.840 119.565 120.400 0.009 0.000 2.057 732 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 732 K C 1.995 178.562 176.600 -0.054 0.000 1.050 732 K CA 1.174 57.452 56.287 -0.015 0.000 0.935 732 K CB -0.184 32.324 32.500 0.014 0.000 0.715 732 K HN 0.409 nan 8.250 nan 0.000 0.439 733 A N 0.621 123.423 122.820 -0.031 0.000 1.969 733 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 733 A C 1.964 179.387 177.584 -0.267 0.000 1.169 733 A CA 1.157 53.200 52.037 0.010 0.000 0.635 733 A CB -0.718 18.425 19.000 0.238 0.000 0.810 733 A HN 0.559 nan 8.150 nan 0.000 0.445 734 F N 0.448 119.851 119.950 -0.912 0.000 2.146 734 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 734 F C 1.845 177.376 175.800 -0.450 0.000 1.096 734 F CA 1.488 58.727 58.000 -1.268 0.000 1.275 734 F CB -0.117 38.208 39.000 -1.126 0.000 1.008 734 F HN 0.135 nan 8.300 nan 0.000 0.480 735 L N 0.294 121.192 121.223 -0.542 0.000 2.017 735 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 735 L C 1.881 178.557 176.870 -0.323 0.000 1.073 735 L CA 1.436 55.987 54.840 -0.482 0.000 0.745 735 L CB -0.875 41.044 42.059 -0.234 0.000 0.894 735 L HN 0.091 nan 8.230 nan 0.000 0.432 736 D N -0.568 119.715 120.400 -0.194 0.000 2.351 736 D HA -0.131 4.509 4.640 -0.000 0.000 0.216 736 D C 2.256 178.512 176.300 -0.074 0.000 0.968 736 D CA 1.383 55.324 54.000 -0.098 0.000 0.899 736 D CB 0.038 40.818 40.800 -0.033 0.000 0.907 736 D HN 0.369 nan 8.370 nan 0.000 0.514 737 S N -0.740 114.896 115.700 -0.107 0.000 2.503 737 S HA 0.053 4.523 4.470 -0.000 0.000 0.217 737 S C 0.999 175.548 174.600 -0.085 0.000 0.999 737 S CA -0.309 57.887 58.200 -0.006 0.000 0.914 737 S CB 0.009 63.331 63.200 0.204 0.000 0.782 737 S HN 0.076 nan 8.310 nan 0.000 0.520 738 L N 2.295 123.380 121.223 -0.230 0.000 2.436 738 L HA 0.275 4.615 4.340 -0.000 0.000 0.265 738 L C -0.781 176.020 176.870 -0.116 0.000 1.168 738 L CA -1.682 53.035 54.840 -0.206 0.000 0.815 738 L CB 0.160 42.024 42.059 -0.325 0.000 1.109 738 L HN 0.106 nan 8.230 nan 0.000 0.462 739 P HA -0.059 nan 4.420 nan 0.000 0.213 739 P C -0.174 177.093 177.300 -0.054 0.000 1.169 739 P CA 1.093 64.163 63.100 -0.050 0.000 0.885 739 P CB 0.341 32.021 31.700 -0.033 0.000 0.779 740 D N 0.086 120.451 120.400 -0.059 0.000 2.404 740 D HA 0.287 4.927 4.640 -0.000 0.000 0.267 740 D C -0.865 175.396 176.300 -0.064 0.000 1.194 740 D CA -0.308 53.660 54.000 -0.053 0.000 0.910 740 D CB 1.610 42.386 40.800 -0.040 0.000 1.090 740 D HN -0.157 nan 8.370 nan 0.000 0.511 741 V N 2.270 122.139 119.914 -0.075 0.000 2.370 741 V HA 0.217 4.337 4.120 -0.000 0.000 0.279 741 V C 0.559 176.616 176.094 -0.063 0.000 1.029 741 V CA -0.779 61.474 62.300 -0.079 0.000 0.870 741 V CB 1.893 33.653 31.823 -0.104 0.000 0.984 741 V HN 0.187 nan 8.190 nan 0.000 0.451 742 K N 5.418 125.783 120.400 -0.058 0.000 2.234 742 K HA 0.396 4.716 4.320 -0.000 0.000 0.282 742 K C -0.790 175.777 176.600 -0.055 0.000 1.039 742 K CA -0.617 55.637 56.287 -0.054 0.000 0.928 742 K CB 0.730 33.196 32.500 -0.057 0.000 1.039 742 K HN 0.498 nan 8.250 nan 0.000 0.470 743 I N 5.894 126.435 120.570 -0.049 0.000 2.310 743 I HA 0.119 4.289 4.170 -0.000 0.000 0.287 743 I C -0.162 175.928 176.117 -0.047 0.000 1.073 743 I CA -0.684 60.589 61.300 -0.045 0.000 1.216 743 I CB 0.923 38.902 38.000 -0.035 0.000 1.415 743 I HN 0.341 nan 8.210 nan 0.000 0.480 744 V N 7.249 127.130 119.914 -0.056 0.000 2.508 744 V HA 0.158 4.278 4.120 -0.000 0.000 0.281 744 V C 0.766 176.828 176.094 -0.054 0.000 1.041 744 V CA -0.592 61.670 62.300 -0.063 0.000 1.016 744 V CB 0.763 32.536 31.823 -0.083 0.000 0.984 744 V HN 0.507 nan 8.190 nan 0.000 0.478 745 K N 5.558 125.931 120.400 -0.046 0.000 2.174 745 K HA 0.538 4.858 4.320 -0.000 0.000 0.275 745 K C -0.475 176.103 176.600 -0.037 0.000 1.015 745 K CA -0.183 56.084 56.287 -0.032 0.000 0.933 745 K CB 1.295 33.781 32.500 -0.025 0.000 1.025 745 K HN 0.581 nan 8.250 nan 0.000 0.463 746 M N 3.064 122.652 119.600 -0.020 0.000 2.101 746 M HA 0.256 4.736 4.480 -0.000 0.000 0.340 746 M C 0.030 176.330 176.300 0.001 0.000 1.057 746 M CA -0.673 54.618 55.300 -0.016 0.000 0.984 746 M CB 1.155 33.759 32.600 0.006 0.000 1.560 746 M HN 0.329 nan 8.290 nan 0.000 0.435 747 K N 1.866 122.262 120.400 -0.007 0.000 2.130 747 K HA 0.658 4.978 4.320 -0.000 0.000 0.268 747 K C 0.064 176.667 176.600 0.004 0.000 0.983 747 K CA -0.757 55.529 56.287 -0.002 0.000 0.893 747 K CB 1.742 34.237 32.500 -0.007 0.000 1.066 747 K HN 0.827 nan 8.250 nan 0.000 0.450 762 L N 2.642 123.889 121.223 0.040 0.000 2.362 762 L HA 0.547 4.887 4.340 -0.000 0.000 0.275 762 L C -1.014 175.891 176.870 0.059 0.000 0.998 762 L CA -0.747 54.139 54.840 0.075 0.000 0.820 762 L CB 1.989 44.125 42.059 0.128 0.000 1.270 762 L HN 0.580 nan 8.230 nan 0.000 0.415 763 N N 4.039 122.776 118.700 0.060 0.000 2.416 763 N HA 0.391 5.131 4.740 -0.000 0.000 0.276 763 N C -1.416 174.094 175.510 0.001 0.000 1.261 763 N CA -0.846 52.213 53.050 0.015 0.000 0.790 763 N CB 2.800 41.288 38.487 0.000 0.000 1.554 763 N HN 0.540 nan 8.380 nan 0.000 0.481 764 M N 1.179 120.747 119.600 -0.053 0.000 2.027 764 M HA 0.370 4.850 4.480 -0.000 0.000 0.329 764 M C -2.771 173.489 176.300 -0.066 0.000 0.971 764 M CA -1.602 53.647 55.300 -0.084 0.000 0.933 764 M CB 1.147 33.648 32.600 -0.164 0.000 1.392 764 M HN 0.279 nan 8.290 nan 0.000 0.394 765 P HA 0.046 nan 4.420 nan 0.000 0.266 765 P C -1.220 176.050 177.300 -0.049 0.000 1.195 765 P CA -0.158 62.914 63.100 -0.046 0.000 0.768 765 P CB 0.664 32.340 31.700 -0.039 0.000 0.838 766 V N 5.334 125.216 119.914 -0.053 0.000 2.409 766 V HA 0.298 4.418 4.120 -0.000 0.000 0.290 766 V C 0.258 176.327 176.094 -0.042 0.000 1.017 766 V CA -0.492 61.781 62.300 -0.046 0.000 0.841 766 V CB 1.253 33.040 31.823 -0.061 0.000 1.003 766 V HN 0.393 nan 8.190 nan 0.000 0.426 767 I N 8.506 129.062 120.570 -0.023 0.000 2.396 767 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 767 I C -1.895 174.222 176.117 -0.000 0.000 1.056 767 I CA -1.524 59.763 61.300 -0.022 0.000 1.365 767 I CB 1.430 39.430 38.000 -0.000 0.000 1.407 767 I HN 0.395 nan 8.210 nan 0.000 0.509 768 P HA 0.063 nan 4.420 nan 0.000 0.276 768 P C -0.433 176.878 177.300 0.018 0.000 1.244 768 P CA -0.738 62.359 63.100 -0.005 0.000 0.801 768 P CB 0.808 32.496 31.700 -0.021 0.000 1.006 769 M N 3.108 122.726 119.600 0.031 0.000 2.982 769 M HA 0.051 4.531 4.480 -0.000 0.000 0.293 769 M C 0.154 176.471 176.300 0.028 0.000 1.611 769 M CA 0.440 55.768 55.300 0.047 0.000 1.576 769 M CB -2.135 30.502 32.600 0.062 0.000 1.555 769 M HN 0.310 nan 8.290 nan 0.000 0.485 770 N N 1.087 119.802 118.700 0.026 0.000 2.879 770 N HA 0.342 5.082 4.740 -0.000 0.000 0.329 770 N C 0.277 175.801 175.510 0.024 0.000 1.337 770 N CA -0.312 52.749 53.050 0.018 0.000 0.844 770 N CB 1.299 39.792 38.487 0.010 0.000 1.236 770 N HN 0.459 nan 8.380 nan 0.000 0.601 771 T N 0.630 115.197 114.554 0.022 0.000 2.867 771 T HA 0.028 4.378 4.350 -0.000 0.000 0.268 771 T C 1.911 176.634 174.700 0.037 0.000 1.057 771 T CA 0.854 62.969 62.100 0.025 0.000 1.136 771 T CB -0.087 68.794 68.868 0.022 0.000 0.874 771 T HN 0.401 nan 8.240 nan 0.000 0.466 772 I N 1.219 121.817 120.570 0.047 0.000 2.233 772 I HA -0.087 4.083 4.170 -0.000 0.000 0.243 772 I C 2.879 179.043 176.117 0.080 0.000 1.093 772 I CA 0.899 62.244 61.300 0.075 0.000 1.380 772 I CB -0.372 37.684 38.000 0.093 0.000 1.067 772 I HN 0.180 nan 8.210 nan 0.000 0.413 773 A N 0.113 122.972 122.820 0.064 0.000 2.019 773 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 773 A C 2.136 179.747 177.584 0.046 0.000 1.164 773 A CA 1.514 53.589 52.037 0.064 0.000 0.644 773 A CB -0.493 18.543 19.000 0.059 0.000 0.805 773 A HN 0.450 nan 8.150 nan 0.000 0.449 774 E N -0.549 119.673 120.200 0.036 0.000 2.158 774 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 774 E C 2.208 178.816 176.600 0.014 0.000 0.982 774 E CA 0.655 57.067 56.400 0.020 0.000 0.823 774 E CB -0.160 29.551 29.700 0.018 0.000 0.766 774 E HN 0.619 nan 8.360 nan 0.000 0.468 775 A N 0.762 123.597 122.820 0.025 0.000 2.014 775 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 775 A C 2.351 179.943 177.584 0.014 0.000 1.163 775 A CA 0.714 52.764 52.037 0.020 0.000 0.652 775 A CB -0.229 18.791 19.000 0.034 0.000 0.808 775 A HN 0.076 nan 8.150 nan 0.000 0.449 776 V N 0.754 120.682 119.914 0.023 0.000 2.283 776 V HA -0.199 3.921 4.120 -0.000 0.000 0.243 776 V C 2.425 178.510 176.094 -0.016 0.000 1.039 776 V CA 1.576 63.882 62.300 0.010 0.000 1.016 776 V CB -0.647 31.197 31.823 0.035 0.000 0.650 776 V HN 0.512 nan 8.190 nan 0.000 0.449 777 I N 0.537 121.094 120.570 -0.022 0.000 2.194 777 I HA -0.280 3.890 4.170 -0.000 0.000 0.246 777 I C 2.596 178.682 176.117 -0.051 0.000 1.093 777 I CA 2.164 63.432 61.300 -0.054 0.000 1.355 777 I CB -1.236 36.727 38.000 -0.063 0.000 1.046 777 I HN 0.438 nan 8.210 nan 0.000 0.413 778 E N 1.427 121.608 120.200 -0.032 0.000 2.049 778 E HA -0.275 4.075 4.350 -0.000 0.000 0.198 778 E C 2.343 178.923 176.600 -0.033 0.000 1.007 778 E CA 1.813 58.195 56.400 -0.029 0.000 0.809 778 E CB -0.481 29.209 29.700 -0.016 0.000 0.749 778 E HN 0.423 nan 8.360 nan 0.000 0.450 779 M N -0.273 119.309 119.600 -0.029 0.000 2.106 779 M HA -0.181 4.299 4.480 -0.000 0.000 0.259 779 M C 1.508 177.782 176.300 -0.045 0.000 1.068 779 M CA 1.560 56.841 55.300 -0.032 0.000 1.100 779 M CB -0.114 32.469 32.600 -0.028 0.000 1.351 779 M HN 0.189 nan 8.290 nan 0.000 0.404 780 I N 1.017 121.554 120.570 -0.055 0.000 2.252 780 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 780 I C 1.987 178.056 176.117 -0.080 0.000 1.102 780 I CA 1.333 62.589 61.300 -0.074 0.000 1.385 780 I CB -1.932 36.016 38.000 -0.087 0.000 1.064 780 I HN 0.392 nan 8.210 nan 0.000 0.414 781 N N 0.967 119.623 118.700 -0.073 0.000 2.244 781 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 781 N C 1.855 177.331 175.510 -0.057 0.000 1.016 781 N CA 0.894 53.901 53.050 -0.070 0.000 0.866 781 N CB -0.191 38.256 38.487 -0.065 0.000 0.980 781 N HN 0.373 nan 8.380 nan 0.000 0.430 782 R N -0.263 120.209 120.500 -0.048 0.000 2.299 782 R HA 0.096 4.436 4.340 -0.000 0.000 0.197 782 R C 0.755 177.031 176.300 -0.040 0.000 0.971 782 R CA 0.475 56.552 56.100 -0.039 0.000 1.030 782 R CB 0.171 30.453 30.300 -0.031 0.000 0.932 782 R HN 0.206 nan 8.270 nan 0.000 0.477 783 G N 1.414 110.184 108.800 -0.049 0.000 2.147 783 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.244 783 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.244 783 G C -0.074 174.802 174.900 -0.040 0.000 1.005 783 G CA -0.053 45.017 45.100 -0.050 0.000 0.713 783 G HN 0.345 nan 8.290 nan 0.000 0.515 784 Q N -0.923 118.855 119.800 -0.036 0.000 2.454 784 Q HA 0.356 4.696 4.340 -0.000 0.000 0.247 784 Q C 1.516 177.498 176.000 -0.030 0.000 1.028 784 Q CA -0.495 55.290 55.803 -0.029 0.000 0.910 784 Q CB 0.451 29.174 28.738 -0.026 0.000 1.276 784 Q HN 0.163 nan 8.270 nan 0.000 0.489 785 I N -0.008 120.547 120.570 -0.024 0.000 2.333 785 I HA -0.146 4.024 4.170 -0.000 0.000 0.246 785 I C 0.807 176.910 176.117 -0.023 0.000 1.106 785 I CA 1.471 62.758 61.300 -0.022 0.000 1.411 785 I CB -0.653 37.337 38.000 -0.017 0.000 1.082 785 I HN 0.685 nan 8.210 nan 0.000 0.420 786 Q N 0.546 120.332 119.800 -0.024 0.000 2.776 786 Q HA 0.557 4.897 4.340 -0.000 0.000 0.289 786 Q C -1.109 174.877 176.000 -0.025 0.000 0.912 786 Q CA -0.723 55.064 55.803 -0.026 0.000 0.789 786 Q CB 2.093 30.816 28.738 -0.024 0.000 1.498 786 Q HN 0.180 nan 8.270 nan 0.000 0.408 787 I N -2.540 118.013 120.570 -0.029 0.000 3.466 787 I HA 0.812 4.982 4.170 -0.000 0.000 0.311 787 I C -1.105 174.997 176.117 -0.024 0.000 1.155 787 I CA -1.122 60.165 61.300 -0.022 0.000 0.959 787 I CB 2.562 40.553 38.000 -0.015 0.000 1.332 787 I HN 0.615 nan 8.210 nan 0.000 0.483 788 T N 2.648 117.197 114.554 -0.008 0.000 2.879 788 T HA 0.673 5.023 4.350 -0.000 0.000 0.290 788 T C -0.624 174.099 174.700 0.037 0.000 0.993 788 T CA -0.205 61.897 62.100 0.003 0.000 0.975 788 T CB 1.357 70.225 68.868 0.001 0.000 0.981 788 T HN 0.417 nan 8.240 nan 0.000 0.439 789 I N 3.340 123.955 120.570 0.076 0.000 2.497 789 I HA 0.312 4.482 4.170 -0.000 0.000 0.284 789 I C -0.358 175.947 176.117 0.314 0.000 1.060 789 I CA -0.951 60.458 61.300 0.181 0.000 1.071 789 I CB 1.562 39.703 38.000 0.236 0.000 1.216 789 I HN 0.569 nan 8.210 nan 0.000 0.442 790 N N 4.795 123.634 118.700 0.231 0.000 2.721 790 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 790 N C 0.994 176.552 175.510 0.079 0.000 1.072 790 N CA 1.438 54.619 53.050 0.220 0.000 0.710 790 N CB -1.041 37.673 38.487 0.379 0.000 0.993 790 N HN 1.192 nan 8.380 nan 0.000 0.547 791 G N -2.241 106.557 108.800 -0.004 0.000 2.234 791 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 791 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 791 G C 0.123 174.886 174.900 -0.229 0.000 0.987 791 G CA 0.417 45.424 45.100 -0.155 0.000 0.625 791 G HN 0.380 nan 8.290 nan 0.000 0.532 792 F N 1.628 121.586 119.950 0.013 0.000 2.399 792 F HA 0.617 5.144 4.527 -0.000 0.000 0.342 792 F C 1.082 176.803 175.800 -0.132 0.000 1.106 792 F CA 0.076 58.040 58.000 -0.060 0.000 1.196 792 F CB 1.728 40.671 39.000 -0.096 0.000 1.163 792 F HN 0.015 nan 8.300 nan 0.000 0.547 793 S N 4.145 119.881 115.700 0.060 0.000 2.411 793 S HA 0.486 4.956 4.470 -0.000 0.000 0.294 793 S C -0.575 173.981 174.600 -0.075 0.000 1.115 793 S CA -0.738 57.452 58.200 -0.017 0.000 1.071 793 S CB -0.438 62.756 63.200 -0.011 0.000 0.967 793 S HN 0.331 nan 8.310 nan 0.000 0.488 794 I N 4.679 125.183 120.570 -0.110 0.000 2.312 794 I HA 0.346 4.515 4.170 -0.000 0.000 0.290 794 I C 0.373 176.446 176.117 -0.074 0.000 1.008 794 I CA -0.379 60.837 61.300 -0.139 0.000 1.226 794 I CB 0.814 38.703 38.000 -0.185 0.000 1.371 794 I HN 0.452 nan 8.210 nan 0.000 0.468 795 S N 5.386 121.054 115.700 -0.054 0.000 2.525 795 S HA 0.337 4.807 4.470 -0.000 0.000 0.290 795 S C 0.159 174.745 174.600 -0.023 0.000 1.152 795 S CA -0.717 57.465 58.200 -0.031 0.000 1.072 795 S CB 1.548 64.737 63.200 -0.019 0.000 1.027 795 S HN 0.573 nan 8.310 nan 0.000 0.500 796 N N 1.516 120.202 118.700 -0.022 0.000 2.442 796 N HA 0.125 4.865 4.740 -0.000 0.000 0.265 796 N C 1.242 176.746 175.510 -0.010 0.000 1.138 796 N CA -0.088 52.948 53.050 -0.024 0.000 0.956 796 N CB 1.182 39.648 38.487 -0.035 0.000 1.067 796 N HN 0.785 nan 8.380 nan 0.000 0.474 797 G N 3.429 112.231 108.800 0.002 0.000 2.501 797 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.220 797 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.220 797 G C 1.367 176.289 174.900 0.036 0.000 1.114 797 G CA 0.439 45.561 45.100 0.038 0.000 0.757 797 G HN 0.647 nan 8.290 nan 0.000 0.559 798 L N -0.145 121.071 121.223 -0.012 0.000 2.492 798 L HA 0.239 4.579 4.340 -0.000 0.000 0.223 798 L C 2.374 179.242 176.870 -0.003 0.000 1.132 798 L CA 0.561 55.389 54.840 -0.020 0.000 0.850 798 L CB 0.217 42.223 42.059 -0.089 0.000 0.966 798 L HN 0.280 nan 8.230 nan 0.000 0.454 799 A N -1.138 121.680 122.820 -0.003 0.000 2.594 799 A HA 0.135 4.455 4.320 -0.000 0.000 0.287 799 A C 1.775 179.362 177.584 0.005 0.000 1.227 799 A CA 0.362 52.398 52.037 -0.002 0.000 0.952 799 A CB -0.471 18.521 19.000 -0.012 0.000 1.161 799 A HN 0.337 nan 8.150 nan 0.000 0.524 800 T N -2.934 111.629 114.554 0.015 0.000 2.803 800 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 800 T C 1.799 176.507 174.700 0.014 0.000 1.052 800 T CA 2.253 64.362 62.100 0.016 0.000 1.136 800 T CB -0.742 68.145 68.868 0.030 0.000 0.864 800 T HN 0.384 nan 8.240 nan 0.000 0.467 801 T N 0.876 115.441 114.554 0.018 0.000 3.035 801 T HA -0.022 4.328 4.350 -0.000 0.000 0.268 801 T C 1.875 176.581 174.700 0.010 0.000 1.109 801 T CA 0.890 63.000 62.100 0.018 0.000 1.119 801 T CB -0.430 68.452 68.868 0.023 0.000 0.900 801 T HN 0.620 nan 8.240 nan 0.000 0.503 802 Q N -0.482 119.321 119.800 0.005 0.000 2.402 802 Q HA 0.288 4.628 4.340 -0.000 0.000 0.206 802 Q C 1.907 177.905 176.000 -0.003 0.000 0.919 802 Q CA 0.508 56.311 55.803 0.001 0.000 0.923 802 Q CB 0.307 29.044 28.738 -0.002 0.000 1.048 802 Q HN 0.554 nan 8.270 nan 0.000 0.515 803 I N -0.133 120.435 120.570 -0.003 0.000 2.927 803 I HA 0.032 4.202 4.170 -0.000 0.000 0.268 803 I C 0.539 176.650 176.117 -0.010 0.000 1.153 803 I CA 0.348 61.643 61.300 -0.008 0.000 1.459 803 I CB 0.511 38.505 38.000 -0.010 0.000 1.149 803 I HN 0.041 nan 8.210 nan 0.000 0.443 804 N N 1.150 119.846 118.700 -0.007 0.000 2.969 804 N HA 0.004 4.744 4.740 -0.000 0.000 0.230 804 N C 0.263 175.772 175.510 -0.002 0.000 1.397 804 N CA -0.150 52.893 53.050 -0.010 0.000 0.762 804 N CB 0.250 38.724 38.487 -0.021 0.000 1.495 804 N HN 0.125 nan 8.380 nan 0.000 0.583 805 N N 2.131 120.833 118.700 0.003 0.000 2.149 805 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 805 N C 0.793 176.314 175.510 0.017 0.000 1.019 805 N CA 0.914 53.973 53.050 0.015 0.000 0.857 805 N CB 0.122 38.620 38.487 0.017 0.000 0.997 805 N HN 0.321 nan 8.380 nan 0.000 0.426 806 K N 1.017 121.416 120.400 -0.001 0.000 2.147 806 K HA 0.041 4.361 4.320 -0.000 0.000 0.205 806 K C 2.139 178.730 176.600 -0.015 0.000 1.049 806 K CA 1.190 57.466 56.287 -0.017 0.000 0.936 806 K CB -0.468 32.005 32.500 -0.045 0.000 0.722 806 K HN 0.387 nan 8.250 nan 0.000 0.446 807 A N 1.070 123.883 122.820 -0.012 0.000 2.014 807 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 807 A C 2.321 179.931 177.584 0.043 0.000 1.163 807 A CA 1.541 53.574 52.037 -0.007 0.000 0.652 807 A CB -0.309 18.670 19.000 -0.036 0.000 0.808 807 A HN 0.272 nan 8.150 nan 0.000 0.449 808 A N -0.180 122.668 122.820 0.046 0.000 1.968 808 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 808 A C 2.328 179.973 177.584 0.102 0.000 1.169 808 A CA 2.121 54.200 52.037 0.069 0.000 0.638 808 A CB -1.063 17.967 19.000 0.050 0.000 0.812 808 A HN 0.696 nan 8.150 nan 0.000 0.446 809 T N -4.653 109.965 114.554 0.108 0.000 3.067 809 T HA 0.371 4.721 4.350 -0.000 0.000 0.261 809 T C 1.463 176.296 174.700 0.222 0.000 1.110 809 T CA 1.239 63.435 62.100 0.161 0.000 1.113 809 T CB 0.123 69.102 68.868 0.185 0.000 0.917 809 T HN 1.629 nan 8.240 nan 0.000 0.499 810 G N 1.228 110.137 108.800 0.181 0.000 2.179 810 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 810 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 810 G C 0.676 175.548 174.900 -0.047 0.000 0.990 810 G CA 0.273 45.473 45.100 0.165 0.000 0.646 810 G HN 0.554 nan 8.290 nan 0.000 0.517 811 E N 0.348 120.453 120.200 -0.157 0.000 2.208 811 E HA 0.076 4.426 4.350 -0.000 0.000 0.193 811 E C 0.842 177.278 176.600 -0.272 0.000 0.988 811 E CA 0.895 57.025 56.400 -0.450 0.000 0.828 811 E CB 0.150 29.616 29.700 -0.391 0.000 0.763 811 E HN 0.701 nan 8.360 nan 0.000 0.478 812 E N 0.272 120.383 120.200 -0.149 0.000 2.343 812 E HA 0.326 4.676 4.350 -0.000 0.000 0.270 812 E C -1.191 175.358 176.600 -0.085 0.000 0.895 812 E CA -0.667 55.665 56.400 -0.114 0.000 0.767 812 E CB 2.958 32.605 29.700 -0.088 0.000 1.248 812 E HN -0.179 nan 8.360 nan 0.000 0.440 813 V N 3.401 123.266 119.914 -0.081 0.000 2.508 813 V HA 0.138 4.258 4.120 -0.000 0.000 0.281 813 V C -2.099 173.920 176.094 -0.125 0.000 1.041 813 V CA -1.462 60.789 62.300 -0.081 0.000 1.016 813 V CB 0.361 32.164 31.823 -0.033 0.000 0.984 813 V HN 0.564 nan 8.190 nan 0.000 0.478 814 P HA 0.131 nan 4.420 nan 0.000 0.264 814 P C 0.224 177.449 177.300 -0.124 0.000 1.183 814 P CA 0.184 63.159 63.100 -0.207 0.000 0.763 814 P CB 0.351 31.832 31.700 -0.365 0.000 0.807 815 R N 0.449 120.908 120.500 -0.067 0.000 2.427 815 R HA 0.153 4.493 4.340 -0.000 0.000 0.262 815 R C 0.495 176.790 176.300 -0.009 0.000 0.943 815 R CA 0.163 56.246 56.100 -0.028 0.000 1.081 815 R CB 0.140 30.427 30.300 -0.021 0.000 1.166 815 R HN 0.579 nan 8.270 nan 0.000 0.534 816 T N -2.638 111.903 114.554 -0.021 0.000 2.916 816 T HA 0.505 4.854 4.350 -0.000 0.000 0.292 816 T C 0.102 174.800 174.700 -0.004 0.000 1.064 816 T CA -0.798 61.298 62.100 -0.007 0.000 1.011 816 T CB 1.827 70.684 68.868 -0.018 0.000 1.152 816 T HN -0.085 nan 8.240 nan 0.000 0.510 817 I N 1.877 122.437 120.570 -0.017 0.000 2.396 817 I HA 0.300 4.470 4.170 -0.000 0.000 0.289 817 I C -0.091 176.014 176.117 -0.021 0.000 1.056 817 I CA -0.541 60.745 61.300 -0.025 0.000 1.365 817 I CB 0.374 38.300 38.000 -0.124 0.000 1.407 817 I HN 0.456 nan 8.210 nan 0.000 0.509 818 I N 6.778 127.369 120.570 0.035 0.000 2.392 818 I HA 0.357 4.527 4.170 -0.000 0.000 0.295 818 I C -0.292 175.850 176.117 0.042 0.000 0.985 818 I CA -0.862 60.464 61.300 0.042 0.000 1.221 818 I CB 1.855 39.910 38.000 0.091 0.000 1.366 818 I HN 0.191 nan 8.210 nan 0.000 0.467 819 V N 4.493 124.420 119.914 0.022 0.000 2.435 819 V HA 0.453 4.573 4.120 -0.000 0.000 0.290 819 V C -0.041 176.073 176.094 0.032 0.000 1.030 819 V CA -0.299 62.014 62.300 0.022 0.000 0.881 819 V CB 1.688 33.510 31.823 -0.003 0.000 0.983 819 V HN 0.763 nan 8.190 nan 0.000 0.445 820 T N 3.279 117.862 114.554 0.048 0.000 2.879 820 T HA 0.681 5.031 4.350 -0.000 0.000 0.290 820 T C -0.164 174.573 174.700 0.062 0.000 0.993 820 T CA -0.518 61.631 62.100 0.083 0.000 0.975 820 T CB 1.675 70.616 68.868 0.121 0.000 0.981 820 T HN 0.964 nan 8.240 nan 0.000 0.439 821 T N 0.055 114.638 114.554 0.048 0.000 2.883 821 T HA 0.504 4.854 4.350 -0.000 0.000 0.296 821 T C 0.847 175.558 174.700 0.019 0.000 1.117 821 T CA -1.079 61.018 62.100 -0.006 0.000 1.006 821 T CB 1.950 70.764 68.868 -0.090 0.000 1.191 821 T HN 0.401 nan 8.240 nan 0.000 0.508 822 R N 0.608 121.081 120.500 -0.045 0.000 2.115 822 R HA -0.013 4.327 4.340 -0.000 0.000 0.226 822 R C 2.667 178.899 176.300 -0.115 0.000 1.100 822 R CA 1.411 57.458 56.100 -0.087 0.000 0.980 822 R CB -0.378 29.829 30.300 -0.156 0.000 0.875 822 R HN 0.848 nan 8.270 nan 0.000 0.445 823 S N 1.035 116.650 115.700 -0.143 0.000 2.399 823 S HA -0.198 4.272 4.470 -0.000 0.000 0.231 823 S C 1.848 176.342 174.600 -0.177 0.000 1.022 823 S CA 0.892 59.000 58.200 -0.153 0.000 0.983 823 S CB -0.191 62.911 63.200 -0.165 0.000 0.803 823 S HN 0.347 nan 8.310 nan 0.000 0.480 824 Q N -0.295 119.356 119.800 -0.249 0.000 2.226 824 Q HA -0.053 4.287 4.340 -0.000 0.000 0.204 824 Q C 0.632 176.287 176.000 -0.576 0.000 0.975 824 Q CA 1.366 56.895 55.803 -0.456 0.000 0.866 824 Q CB -0.211 28.124 28.738 -0.671 0.000 0.915 824 Q HN 0.839 nan 8.270 nan 0.000 0.440 825 Y N -1.835 118.421 120.300 -0.073 0.000 2.557 825 Y HA 0.328 4.878 4.550 -0.000 0.000 0.247 825 Y C 1.145 176.972 175.900 -0.121 0.000 1.164 825 Y CA 0.045 58.113 58.100 -0.053 0.000 1.218 825 Y CB 1.046 39.491 38.460 -0.025 0.000 1.210 825 Y HN 0.070 nan 8.280 nan 0.000 0.529 826 G N 1.106 109.879 108.800 -0.045 0.000 2.160 826 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.251 826 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.251 826 G C -0.110 174.714 174.900 -0.127 0.000 1.008 826 G CA -0.023 45.037 45.100 -0.067 0.000 0.724 826 G HN 0.289 nan 8.290 nan 0.000 0.514 827 L N 1.562 122.660 121.223 -0.208 0.000 2.371 827 L HA 0.399 4.738 4.340 -0.000 0.000 0.272 827 L C -1.243 175.510 176.870 -0.194 0.000 1.124 827 L CA -2.066 52.601 54.840 -0.288 0.000 0.816 827 L CB 0.795 42.572 42.059 -0.470 0.000 1.129 827 L HN -0.015 nan 8.230 nan 0.000 0.448 828 P HA 0.045 nan 4.420 nan 0.000 0.271 828 P C -0.305 176.909 177.300 -0.143 0.000 1.216 828 P CA -0.177 62.848 63.100 -0.124 0.000 0.771 828 P CB 0.781 32.421 31.700 -0.101 0.000 0.864 829 E N 1.717 121.852 120.200 -0.108 0.000 2.427 829 E HA -0.091 4.258 4.350 -0.000 0.000 0.196 829 E C -0.022 176.465 176.600 -0.188 0.000 1.028 829 E CA 0.953 57.293 56.400 -0.100 0.000 0.864 829 E CB -0.034 29.686 29.700 0.034 0.000 0.813 829 E HN 0.613 nan 8.360 nan 0.000 0.514 830 D N -0.176 120.140 120.400 -0.140 0.000 2.623 830 D HA 0.338 4.978 4.640 -0.000 0.000 0.252 830 D C -0.191 176.039 176.300 -0.118 0.000 1.294 830 D CA -0.434 53.490 54.000 -0.127 0.000 0.824 830 D CB 0.444 41.232 40.800 -0.020 0.000 1.070 830 D HN 0.036 nan 8.370 nan 0.000 0.487 831 A N 0.302 123.027 122.820 -0.158 0.000 2.454 831 A HA 0.600 4.920 4.320 -0.000 0.000 0.302 831 A C -0.574 176.912 177.584 -0.163 0.000 1.079 831 A CA -0.813 51.151 52.037 -0.122 0.000 0.731 831 A CB 1.230 20.175 19.000 -0.092 0.000 1.299 831 A HN 0.113 nan 8.150 nan 0.000 0.413 832 I N 1.568 122.048 120.570 -0.149 0.000 2.618 832 I HA 0.131 4.301 4.170 -0.000 0.000 0.284 832 I C -0.181 175.772 176.117 -0.273 0.000 1.146 832 I CA 0.341 61.493 61.300 -0.247 0.000 1.425 832 I CB 0.777 38.606 38.000 -0.286 0.000 1.383 832 I HN 0.251 nan 8.210 nan 0.000 0.562 833 V N 8.541 128.263 119.914 -0.321 0.000 2.326 833 V HA 0.245 4.365 4.120 -0.000 0.000 0.281 833 V C -0.493 175.437 176.094 -0.273 0.000 1.015 833 V CA -0.716 61.454 62.300 -0.216 0.000 0.823 833 V CB 0.715 32.452 31.823 -0.143 0.000 1.009 833 V HN 0.382 nan 8.190 nan 0.000 0.436 834 Y N 3.855 124.096 120.300 -0.098 0.000 2.316 834 Y HA 0.510 5.060 4.550 -0.000 0.000 0.331 834 Y C 0.839 176.618 175.900 -0.202 0.000 1.083 834 Y CA -0.368 57.623 58.100 -0.182 0.000 1.206 834 Y CB 1.088 39.396 38.460 -0.253 0.000 1.195 834 Y HN 0.799 nan 8.280 nan 0.000 0.497 835 C N 2.764 121.957 119.300 -0.179 0.000 2.667 835 C HA 0.738 5.198 4.460 -0.000 0.000 0.323 835 C C -0.698 173.923 174.990 -0.616 0.000 1.214 835 C CA -0.830 57.935 59.018 -0.421 0.000 1.721 835 C CB 1.803 29.137 27.740 -0.676 0.000 2.275 835 C HN 0.901 nan 8.230 nan 0.000 0.491 836 N N 1.215 119.501 118.700 -0.690 0.000 2.572 836 N HA 0.364 5.104 4.740 -0.000 0.000 0.287 836 N C -1.274 174.046 175.510 -0.317 0.000 1.136 836 N CA -0.261 52.492 53.050 -0.493 0.000 0.900 836 N CB 1.046 39.351 38.487 -0.303 0.000 1.484 836 N HN 0.702 nan 8.380 nan 0.000 0.526 837 F N 0.882 120.769 119.950 -0.104 0.000 2.660 837 F HA 0.342 4.869 4.527 -0.000 0.000 0.297 837 F C 1.040 176.866 175.800 0.043 0.000 1.132 837 F CA -0.686 57.280 58.000 -0.057 0.000 1.372 837 F CB -0.438 38.592 39.000 0.049 0.000 1.003 837 F HN 0.224 nan 8.300 nan 0.000 0.524 838 N N 0.583 119.363 118.700 0.133 0.000 2.463 838 N HA 0.127 4.867 4.740 -0.000 0.000 0.270 838 N C 0.203 175.633 175.510 -0.134 0.000 1.205 838 N CA -0.365 52.678 53.050 -0.011 0.000 0.974 838 N CB 0.685 39.103 38.487 -0.115 0.000 1.197 838 N HN 0.228 nan 8.380 nan 0.000 0.504 839 Q N 0.863 120.347 119.800 -0.527 0.000 2.361 839 Q HA 0.037 4.377 4.340 -0.000 0.000 0.276 839 Q C 1.257 177.020 176.000 -0.395 0.000 1.022 839 Q CA 0.099 55.446 55.803 -0.760 0.000 0.898 839 Q CB 0.800 29.089 28.738 -0.748 0.000 1.246 839 Q HN 0.467 nan 8.270 nan 0.000 0.410 840 L N 2.074 123.216 121.223 -0.135 0.000 2.353 840 L HA -0.207 4.133 4.340 -0.000 0.000 0.220 840 L C 2.024 178.891 176.870 -0.005 0.000 1.133 840 L CA 0.816 55.664 54.840 0.013 0.000 0.798 840 L CB -0.692 41.446 42.059 0.132 0.000 0.922 840 L HN 0.782 nan 8.230 nan 0.000 0.445 841 Y N 0.148 120.422 120.300 -0.044 0.000 2.403 841 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 841 Y C 2.051 177.945 175.900 -0.010 0.000 1.143 841 Y CA 0.655 58.735 58.100 -0.033 0.000 1.257 841 Y CB -0.806 37.580 38.460 -0.124 0.000 0.984 841 Y HN -0.005 nan 8.280 nan 0.000 0.550 842 K N 0.904 120.964 120.400 -0.567 0.000 2.432 842 K HA 0.144 4.464 4.320 -0.000 0.000 0.196 842 K C 0.031 176.523 176.600 -0.180 0.000 1.038 842 K CA 0.325 56.372 56.287 -0.399 0.000 0.986 842 K CB 0.009 32.209 32.500 -0.501 0.000 0.782 842 K HN 0.356 nan 8.250 nan 0.000 0.485 843 I N 2.628 123.144 120.570 -0.089 0.000 2.353 843 I HA 0.051 4.221 4.170 -0.000 0.000 0.293 843 I C -0.252 175.768 176.117 -0.161 0.000 0.992 843 I CA -0.860 60.370 61.300 -0.117 0.000 1.268 843 I CB 1.046 39.073 38.000 0.044 0.000 1.387 843 I HN 0.069 nan 8.210 nan 0.000 0.478 844 D N 6.088 126.161 120.400 -0.545 0.000 2.450 844 D HA 0.407 5.047 4.640 -0.000 0.000 0.238 844 D C -2.399 172.963 176.300 -1.564 0.000 1.020 844 D CA -2.339 50.988 54.000 -1.123 0.000 1.010 844 D CB 0.817 41.151 40.800 -0.777 0.000 1.342 844 D HN 0.049 nan 8.370 nan 0.000 0.530 845 P HA -0.159 nan 4.420 nan 0.000 0.216 845 P C 1.136 177.987 177.300 -0.749 0.000 1.154 845 P CA 1.776 64.032 63.100 -1.406 0.000 0.865 845 P CB 0.076 31.105 31.700 -1.119 0.000 0.789 846 S N -1.371 113.942 115.700 -0.645 0.000 2.399 846 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 846 S C 1.886 176.205 174.600 -0.468 0.000 1.022 846 S CA 1.780 59.720 58.200 -0.432 0.000 0.983 846 S CB -1.398 61.598 63.200 -0.340 0.000 0.803 846 S HN 0.278 nan 8.310 nan 0.000 0.480 847 T N 2.557 116.741 114.554 -0.616 0.000 2.812 847 T HA 0.068 4.418 4.350 -0.000 0.000 0.264 847 T C 1.743 175.880 174.700 -0.940 0.000 1.042 847 T CA 0.733 62.349 62.100 -0.807 0.000 1.140 847 T CB -0.386 67.932 68.868 -0.917 0.000 0.870 847 T HN 0.157 nan 8.240 nan 0.000 0.445 848 L N 1.502 122.321 121.223 -0.673 0.000 2.046 848 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 848 L C 2.489 179.274 176.870 -0.141 0.000 1.077 848 L CA 1.796 56.447 54.840 -0.315 0.000 0.747 848 L CB -0.895 41.179 42.059 0.024 0.000 0.896 848 L HN 0.128 nan 8.230 nan 0.000 0.432 849 Q N -0.786 118.900 119.800 -0.189 0.000 2.084 849 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 849 Q C 2.323 178.285 176.000 -0.063 0.000 0.978 849 Q CA 2.340 58.085 55.803 -0.096 0.000 0.844 849 Q CB -0.403 28.259 28.738 -0.127 0.000 0.898 849 Q HN 0.575 nan 8.270 nan 0.000 0.426 850 M N -1.457 118.058 119.600 -0.142 0.000 2.117 850 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 850 M C 0.945 177.346 176.300 0.169 0.000 1.065 850 M CA 1.512 56.787 55.300 -0.041 0.000 1.114 850 M CB -0.165 32.328 32.600 -0.180 0.000 1.361 850 M HN 0.335 nan 8.290 nan 0.000 0.408 851 W N -0.150 121.135 121.300 -0.024 0.000 2.436 851 W HA 0.079 4.739 4.660 -0.000 0.000 0.284 851 W C 2.607 179.094 176.519 -0.053 0.000 1.225 851 W CA 0.956 58.276 57.345 -0.041 0.000 1.271 851 W CB -1.406 28.037 29.460 -0.029 0.000 1.114 851 W HN 0.327 nan 8.180 nan 0.000 0.559 852 A N 0.845 123.783 122.820 0.196 0.000 1.898 852 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 852 A C 1.963 179.591 177.584 0.074 0.000 1.181 852 A CA 1.787 53.895 52.037 0.119 0.000 0.620 852 A CB -0.838 18.222 19.000 0.100 0.000 0.819 852 A HN 0.188 nan 8.150 nan 0.000 0.442 853 N N 0.467 119.206 118.700 0.066 0.000 2.104 853 N HA -0.142 4.598 4.740 -0.000 0.000 0.190 853 N C 1.633 177.162 175.510 0.032 0.000 1.024 853 N CA 1.696 54.774 53.050 0.046 0.000 0.853 853 N CB -0.515 37.998 38.487 0.044 0.000 1.008 853 N HN 0.599 nan 8.380 nan 0.000 0.424 854 I N 0.846 121.428 120.570 0.020 0.000 2.113 854 I HA -0.239 3.931 4.170 -0.000 0.000 0.238 854 I C 2.085 178.160 176.117 -0.070 0.000 1.070 854 I CA 0.914 62.176 61.300 -0.063 0.000 1.332 854 I CB -0.411 37.465 38.000 -0.207 0.000 1.044 854 I HN 0.041 nan 8.210 nan 0.000 0.402 855 L N 0.565 121.748 121.223 -0.066 0.000 2.081 855 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 855 L C 2.553 179.444 176.870 0.035 0.000 1.080 855 L CA 1.592 56.431 54.840 -0.002 0.000 0.754 855 L CB -0.578 41.497 42.059 0.027 0.000 0.893 855 L HN 0.208 nan 8.230 nan 0.000 0.433 856 K N -0.254 120.166 120.400 0.033 0.000 2.097 856 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 856 K C 2.144 178.764 176.600 0.033 0.000 1.050 856 K CA 1.058 57.367 56.287 0.036 0.000 0.938 856 K CB -0.030 32.491 32.500 0.036 0.000 0.718 856 K HN 0.268 nan 8.250 nan 0.000 0.442 857 R N 0.172 120.690 120.500 0.030 0.000 2.275 857 R HA 0.042 4.382 4.340 -0.000 0.000 0.199 857 R C 0.016 176.342 176.300 0.043 0.000 0.989 857 R CA 0.396 56.514 56.100 0.031 0.000 1.016 857 R CB 0.569 30.885 30.300 0.026 0.000 0.918 857 R HN -0.090 nan 8.270 nan 0.000 0.473 858 V N 2.566 122.515 119.914 0.059 0.000 2.320 858 V HA 0.148 4.268 4.120 -0.000 0.000 0.257 858 V C -1.826 174.317 176.094 0.081 0.000 0.996 858 V CA -1.109 61.243 62.300 0.087 0.000 0.928 858 V CB 1.420 33.341 31.823 0.163 0.000 1.169 858 V HN 0.015 nan 8.190 nan 0.000 0.475 859 P HA -0.156 nan 4.420 nan 0.000 0.221 859 P C 0.759 178.084 177.300 0.042 0.000 1.145 859 P CA 1.140 64.267 63.100 0.045 0.000 0.795 859 P CB 0.247 31.966 31.700 0.033 0.000 0.775 860 N N 0.414 119.137 118.700 0.039 0.000 2.597 860 N HA 0.082 4.822 4.740 -0.000 0.000 0.269 860 N C -0.536 174.985 175.510 0.017 0.000 1.204 860 N CA -0.087 52.976 53.050 0.021 0.000 0.947 860 N CB 0.076 38.569 38.487 0.010 0.000 1.258 860 N HN 0.142 nan 8.380 nan 0.000 0.508 861 S N -1.149 114.580 115.700 0.048 0.000 2.618 861 S HA 0.636 5.106 4.470 -0.000 0.000 0.277 861 S C -0.507 174.139 174.600 0.077 0.000 1.138 861 S CA -0.716 57.524 58.200 0.067 0.000 0.844 861 S CB 1.938 65.268 63.200 0.217 0.000 1.127 861 S HN 0.004 nan 8.310 nan 0.000 0.474 862 V N -0.919 119.038 119.914 0.071 0.000 3.102 862 V HA 0.893 5.013 4.120 -0.000 0.000 0.312 862 V C -1.261 174.898 176.094 0.110 0.000 1.135 862 V CA -1.061 61.278 62.300 0.065 0.000 1.022 862 V CB 1.508 33.330 31.823 -0.002 0.000 1.056 862 V HN 1.023 nan 8.190 nan 0.000 0.436 863 L N 2.788 124.052 121.223 0.069 0.000 2.296 863 L HA 0.688 5.028 4.340 -0.000 0.000 0.286 863 L C -1.211 175.686 176.870 0.045 0.000 1.023 863 L CA -0.276 54.580 54.840 0.026 0.000 0.812 863 L CB 1.402 43.438 42.059 -0.039 0.000 1.223 863 L HN 0.951 nan 8.230 nan 0.000 0.421 864 W N 7.626 128.811 121.300 -0.192 0.000 2.329 864 W HA 0.641 5.301 4.660 -0.000 0.000 0.312 864 W C -1.736 174.657 176.519 -0.210 0.000 1.054 864 W CA -1.185 56.058 57.345 -0.170 0.000 1.245 864 W CB 0.781 30.188 29.460 -0.089 0.000 1.255 864 W HN 0.422 nan 8.180 nan 0.000 0.436 865 L N 5.572 126.720 121.223 -0.125 0.000 2.283 865 L HA 0.566 4.906 4.340 -0.000 0.000 0.259 865 L C -0.302 176.520 176.870 -0.080 0.000 1.027 865 L CA -1.423 53.267 54.840 -0.251 0.000 0.828 865 L CB 1.913 43.690 42.059 -0.470 0.000 1.380 865 L HN 0.094 nan 8.230 nan 0.000 0.425 866 L N 0.572 121.866 121.223 0.118 0.000 2.331 866 L HA 0.528 4.868 4.340 -0.000 0.000 0.275 866 L C -0.053 177.068 176.870 0.418 0.000 1.022 866 L CA -0.819 54.154 54.840 0.223 0.000 0.812 866 L CB 1.500 43.632 42.059 0.121 0.000 1.257 866 L HN 0.493 nan 8.230 nan 0.000 0.435 867 R N 2.701 123.405 120.500 0.341 0.000 2.878 867 R HA 0.184 4.524 4.340 -0.000 0.000 0.239 867 R C -0.768 175.674 176.300 0.237 0.000 1.515 867 R CA 0.331 56.587 56.100 0.260 0.000 1.210 867 R CB -0.231 30.151 30.300 0.137 0.000 1.209 867 R HN 0.488 nan 8.270 nan 0.000 0.610 868 F N 4.311 124.328 119.950 0.111 0.000 2.708 868 F HA 0.296 4.823 4.527 -0.000 0.000 0.344 868 F C -2.377 173.473 175.800 0.084 0.000 1.447 868 F CA -2.172 55.873 58.000 0.075 0.000 1.140 868 F CB 1.557 40.593 39.000 0.060 0.000 1.657 868 F HN 0.259 nan 8.300 nan 0.000 0.598 869 P HA 0.281 nan 4.420 nan 0.000 0.283 869 P C 0.214 177.591 177.300 0.127 0.000 1.278 869 P CA -0.108 63.123 63.100 0.218 0.000 0.834 869 P CB 1.775 33.557 31.700 0.137 0.000 1.150 870 A N 1.277 124.142 122.820 0.074 0.000 1.940 870 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 870 A C 1.937 179.490 177.584 -0.051 0.000 1.176 870 A CA 2.432 54.474 52.037 0.007 0.000 0.631 870 A CB -1.926 17.073 19.000 -0.003 0.000 0.814 870 A HN 0.490 nan 8.150 nan 0.000 0.446 871 V N -2.187 117.709 119.914 -0.031 0.000 3.026 871 V HA 0.017 4.137 4.120 -0.000 0.000 0.265 871 V C 1.962 178.004 176.094 -0.086 0.000 1.121 871 V CA 1.824 64.088 62.300 -0.060 0.000 1.142 871 V CB -1.360 30.439 31.823 -0.039 0.000 0.730 871 V HN 0.386 nan 8.190 nan 0.000 0.503 872 G N -0.198 108.563 108.800 -0.065 0.000 2.551 872 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.216 872 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.216 872 G C 1.364 176.179 174.900 -0.143 0.000 1.137 872 G CA 0.587 45.644 45.100 -0.073 0.000 0.798 872 G HN 0.621 nan 8.290 nan 0.000 0.536 873 E N 1.131 121.166 120.200 -0.276 0.000 2.038 873 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 873 E C -0.166 176.179 176.600 -0.425 0.000 1.000 873 E CA 1.298 57.296 56.400 -0.670 0.000 0.803 873 E CB -0.278 28.839 29.700 -0.972 0.000 0.750 873 E HN 0.320 nan 8.360 nan 0.000 0.448 874 P HA -0.082 nan 4.420 nan 0.000 0.218 874 P C 0.729 177.889 177.300 -0.234 0.000 1.149 874 P CA 1.076 64.042 63.100 -0.223 0.000 0.817 874 P CB 0.001 31.594 31.700 -0.178 0.000 0.785 875 N N -0.466 118.086 118.700 -0.247 0.000 2.109 875 N HA -0.050 4.690 4.740 -0.000 0.000 0.188 875 N C 1.852 177.163 175.510 -0.330 0.000 1.034 875 N CA 1.010 53.858 53.050 -0.338 0.000 0.846 875 N CB -0.752 37.571 38.487 -0.273 0.000 1.010 875 N HN 0.145 nan 8.380 nan 0.000 0.425 876 I N 1.627 122.104 120.570 -0.155 0.000 2.163 876 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 876 I C 2.404 178.573 176.117 0.085 0.000 1.085 876 I CA 1.088 62.404 61.300 0.026 0.000 1.347 876 I CB -0.172 37.963 38.000 0.226 0.000 1.044 876 I HN 0.135 nan 8.210 nan 0.000 0.408 877 Q N 0.215 120.041 119.800 0.043 0.000 2.135 877 Q HA -0.298 4.042 4.340 -0.000 0.000 0.204 877 Q C 2.061 178.046 176.000 -0.024 0.000 0.981 877 Q CA 1.699 57.537 55.803 0.058 0.000 0.856 877 Q CB -0.447 28.298 28.738 0.012 0.000 0.902 877 Q HN 0.605 nan 8.270 nan 0.000 0.425 878 Q N -0.468 119.230 119.800 -0.170 0.000 2.050 878 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 878 Q C 1.659 177.535 176.000 -0.206 0.000 0.980 878 Q CA 1.431 57.080 55.803 -0.256 0.000 0.840 878 Q CB -0.047 28.417 28.738 -0.457 0.000 0.898 878 Q HN 0.393 nan 8.270 nan 0.000 0.424 879 Y N -0.176 120.116 120.300 -0.014 0.000 2.263 879 Y HA -0.039 4.511 4.550 -0.000 0.000 0.292 879 Y C 2.394 178.343 175.900 0.082 0.000 1.130 879 Y CA 0.836 58.965 58.100 0.048 0.000 1.179 879 Y CB -0.801 37.714 38.460 0.092 0.000 0.998 879 Y HN 0.244 nan 8.280 nan 0.000 0.532 880 A N 0.562 123.514 122.820 0.220 0.000 1.940 880 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 880 A C 2.140 179.800 177.584 0.128 0.000 1.176 880 A CA 1.888 54.035 52.037 0.183 0.000 0.631 880 A CB -0.546 18.565 19.000 0.185 0.000 0.814 880 A HN 0.541 nan 8.150 nan 0.000 0.446 881 Q N -0.470 119.384 119.800 0.090 0.000 2.245 881 Q HA -0.085 4.255 4.340 -0.000 0.000 0.201 881 Q C 1.121 177.160 176.000 0.066 0.000 0.955 881 Q CA 1.046 56.888 55.803 0.064 0.000 0.870 881 Q CB -0.567 28.192 28.738 0.035 0.000 0.945 881 Q HN 0.608 nan 8.270 nan 0.000 0.461 882 N N 1.149 119.899 118.700 0.084 0.000 2.364 882 N HA -0.055 4.685 4.740 -0.000 0.000 0.183 882 N C 1.442 177.006 175.510 0.090 0.000 1.022 882 N CA 1.098 54.203 53.050 0.092 0.000 0.883 882 N CB -0.115 38.454 38.487 0.137 0.000 0.965 882 N HN 0.371 nan 8.380 nan 0.000 0.438 883 M N -1.337 118.323 119.600 0.100 0.000 2.495 883 M HA 0.219 4.699 4.480 -0.000 0.000 0.237 883 M C 0.749 177.090 176.300 0.068 0.000 1.131 883 M CA 0.197 55.547 55.300 0.083 0.000 1.032 883 M CB 0.579 33.237 32.600 0.096 0.000 1.513 883 M HN 0.164 nan 8.290 nan 0.000 0.488 884 G N 1.669 110.507 108.800 0.065 0.000 2.134 884 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.209 884 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.209 884 G C -0.187 174.747 174.900 0.056 0.000 0.993 884 G CA -0.503 44.629 45.100 0.053 0.000 0.669 884 G HN 0.384 nan 8.290 nan 0.000 0.519 885 L N 1.266 122.530 121.223 0.069 0.000 2.257 885 L HA 0.404 4.744 4.340 -0.000 0.000 0.290 885 L C -1.871 175.039 176.870 0.067 0.000 1.044 885 L CA -2.143 52.741 54.840 0.072 0.000 0.810 885 L CB 1.287 43.403 42.059 0.094 0.000 1.193 885 L HN -0.117 nan 8.230 nan 0.000 0.425 886 P HA 0.003 nan 4.420 nan 0.000 0.270 886 P C 0.371 177.708 177.300 0.060 0.000 1.223 886 P CA -0.247 62.883 63.100 0.049 0.000 0.785 886 P CB 0.669 32.393 31.700 0.040 0.000 0.923 887 Q N 1.770 121.603 119.800 0.056 0.000 2.112 887 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 887 Q C 1.464 177.515 176.000 0.085 0.000 0.987 887 Q CA 1.770 57.616 55.803 0.072 0.000 0.858 887 Q CB -0.375 28.396 28.738 0.055 0.000 0.905 887 Q HN 0.575 nan 8.270 nan 0.000 0.420 888 N N -0.383 118.354 118.700 0.062 0.000 2.635 888 N HA -0.126 4.614 4.740 -0.000 0.000 0.191 888 N C 1.088 176.631 175.510 0.056 0.000 1.155 888 N CA 0.226 53.309 53.050 0.056 0.000 0.927 888 N CB 0.023 38.531 38.487 0.034 0.000 0.976 888 N HN 0.077 nan 8.380 nan 0.000 0.448 889 R N 0.755 121.297 120.500 0.069 0.000 2.127 889 R HA 0.271 4.611 4.340 -0.000 0.000 0.217 889 R C 0.768 177.113 176.300 0.074 0.000 1.074 889 R CA 0.279 56.419 56.100 0.068 0.000 0.991 889 R CB 0.061 30.406 30.300 0.074 0.000 0.895 889 R HN 0.319 nan 8.270 nan 0.000 0.450 890 I N 1.590 122.221 120.570 0.102 0.000 2.378 890 I HA 0.344 4.513 4.170 -0.000 0.000 0.291 890 I C -0.243 175.939 176.117 0.108 0.000 0.992 890 I CA -0.546 60.804 61.300 0.084 0.000 1.154 890 I CB 1.751 39.835 38.000 0.139 0.000 1.315 890 I HN -0.223 nan 8.210 nan 0.000 0.448 891 I N 6.017 126.604 120.570 0.029 0.000 2.389 891 I HA 0.375 4.545 4.170 -0.000 0.000 0.288 891 I C -0.814 175.380 176.117 0.129 0.000 0.999 891 I CA -0.399 60.968 61.300 0.112 0.000 1.129 891 I CB 1.566 39.582 38.000 0.025 0.000 1.288 891 I HN 0.350 nan 8.210 nan 0.000 0.444 892 F N 3.630 123.717 119.950 0.229 0.000 2.422 892 F HA 0.501 5.028 4.527 -0.000 0.000 0.333 892 F C 0.621 176.594 175.800 0.288 0.000 1.095 892 F CA -0.111 58.041 58.000 0.254 0.000 1.038 892 F CB 1.907 41.002 39.000 0.159 0.000 1.156 892 F HN 0.304 nan 8.300 nan 0.000 0.483 893 S N 2.760 118.736 115.700 0.460 0.000 2.599 893 S HA 0.573 5.043 4.470 -0.000 0.000 0.294 893 S C -2.702 172.027 174.600 0.216 0.000 1.094 893 S CA -1.390 57.034 58.200 0.374 0.000 0.931 893 S CB 2.362 65.848 63.200 0.477 0.000 1.093 893 S HN 0.267 nan 8.310 nan 0.000 0.488 894 P HA 0.267 nan 4.420 nan 0.000 0.276 894 P C -0.690 176.568 177.300 -0.069 0.000 1.244 894 P CA -0.402 62.727 63.100 0.048 0.000 0.801 894 P CB 0.425 32.157 31.700 0.054 0.000 1.006 895 V N 1.179 120.976 119.914 -0.195 0.000 2.763 895 V HA 0.276 4.396 4.120 -0.000 0.000 0.306 895 V C 0.977 176.937 176.094 -0.223 0.000 1.059 895 V CA 0.683 62.761 62.300 -0.370 0.000 1.138 895 V CB -0.078 31.378 31.823 -0.611 0.000 0.940 895 V HN 0.820 nan 8.190 nan 0.000 0.489 896 A N 6.291 128.973 122.820 -0.231 0.000 2.387 896 A HA 0.926 5.246 4.320 -0.000 0.000 0.303 896 A C -2.667 174.866 177.584 -0.084 0.000 1.145 896 A CA -1.874 50.100 52.037 -0.106 0.000 0.801 896 A CB 1.053 20.019 19.000 -0.057 0.000 1.342 896 A HN 0.694 nan 8.150 nan 0.000 0.440 897 P HA 0.081 nan 4.420 nan 0.000 0.269 897 P C 0.713 178.035 177.300 0.036 0.000 1.217 897 P CA -0.334 62.776 63.100 0.017 0.000 0.783 897 P CB 0.540 32.264 31.700 0.040 0.000 0.898 898 K N 1.584 122.023 120.400 0.065 0.000 2.015 898 K HA -0.246 4.074 4.320 -0.000 0.000 0.216 898 K C 1.697 178.306 176.600 0.015 0.000 1.052 898 K CA 1.782 58.120 56.287 0.084 0.000 0.937 898 K CB -0.524 32.030 32.500 0.091 0.000 0.719 898 K HN 0.547 nan 8.250 nan 0.000 0.446 899 E N 0.987 121.227 120.200 0.067 0.000 2.077 899 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 899 E C 1.909 178.473 176.600 -0.059 0.000 0.989 899 E CA 1.305 57.708 56.400 0.006 0.000 0.800 899 E CB 0.015 29.829 29.700 0.190 0.000 0.746 899 E HN 0.392 nan 8.360 nan 0.000 0.452 900 E N -0.623 119.581 120.200 0.006 0.000 2.077 900 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 900 E C 2.193 178.750 176.600 -0.072 0.000 0.989 900 E CA 1.286 57.694 56.400 0.013 0.000 0.800 900 E CB -0.295 29.442 29.700 0.062 0.000 0.746 900 E HN 0.302 nan 8.360 nan 0.000 0.452 901 H N 0.319 119.264 119.070 -0.209 0.000 2.319 901 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 901 H C 1.886 177.009 175.328 -0.341 0.000 1.092 901 H CA 2.231 58.069 56.048 -0.350 0.000 1.302 901 H CB -0.464 29.125 29.762 -0.288 0.000 1.373 901 H HN 0.053 nan 8.280 nan 0.000 0.497 902 V N 0.854 120.417 119.914 -0.585 0.000 2.358 902 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 902 V C 2.763 178.660 176.094 -0.327 0.000 1.047 902 V CA 2.088 64.040 62.300 -0.579 0.000 1.035 902 V CB -0.657 30.704 31.823 -0.770 0.000 0.658 902 V HN 0.403 nan 8.190 nan 0.000 0.452 903 R N 1.078 121.428 120.500 -0.250 0.000 2.075 903 R HA -0.169 4.171 4.340 -0.000 0.000 0.232 903 R C 2.493 178.770 176.300 -0.038 0.000 1.126 903 R CA 1.703 57.740 56.100 -0.106 0.000 0.963 903 R CB -0.242 30.047 30.300 -0.019 0.000 0.858 903 R HN 0.642 nan 8.270 nan 0.000 0.435 904 R N -0.545 119.918 120.500 -0.062 0.000 2.316 904 R HA 0.044 4.384 4.340 -0.000 0.000 0.202 904 R C 1.847 178.213 176.300 0.110 0.000 1.029 904 R CA 1.113 57.230 56.100 0.028 0.000 1.018 904 R CB -0.395 29.832 30.300 -0.121 0.000 0.888 904 R HN 0.256 nan 8.270 nan 0.000 0.471 905 G N 1.486 110.305 108.800 0.033 0.000 2.448 905 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 905 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 905 G C 1.244 176.243 174.900 0.165 0.000 1.127 905 G CA 0.308 45.537 45.100 0.214 0.000 0.766 905 G HN 0.417 nan 8.290 nan 0.000 0.552 906 Q N -0.341 119.517 119.800 0.096 0.000 2.297 906 Q HA 0.000 4.340 4.340 -0.000 0.000 0.208 906 Q C 2.432 178.474 176.000 0.070 0.000 0.981 906 Q CA 0.660 56.497 55.803 0.058 0.000 0.876 906 Q CB -0.219 28.535 28.738 0.027 0.000 0.921 906 Q HN 0.488 nan 8.270 nan 0.000 0.446 907 L N -0.011 121.307 121.223 0.159 0.000 2.217 907 L HA 0.019 4.359 4.340 -0.000 0.000 0.211 907 L C 1.150 178.079 176.870 0.098 0.000 1.107 907 L CA -0.202 54.714 54.840 0.127 0.000 0.783 907 L CB -0.395 41.758 42.059 0.157 0.000 0.919 907 L HN 0.061 nan 8.230 nan 0.000 0.442 908 A N -0.013 122.933 122.820 0.210 0.000 2.386 908 A HA 0.029 4.349 4.320 -0.000 0.000 0.248 908 A C 0.701 178.262 177.584 -0.037 0.000 1.082 908 A CA -0.224 51.879 52.037 0.110 0.000 0.789 908 A CB 0.278 19.355 19.000 0.129 0.000 1.025 908 A HN 0.169 nan 8.150 nan 0.000 0.490 909 D N -0.390 119.931 120.400 -0.132 0.000 2.201 909 D HA 0.137 4.777 4.640 -0.000 0.000 0.209 909 D C 0.007 176.200 176.300 -0.178 0.000 0.961 909 D CA 1.477 55.371 54.000 -0.177 0.000 0.861 909 D CB 0.361 41.008 40.800 -0.255 0.000 0.997 909 D HN 0.250 nan 8.370 nan 0.000 0.486 910 V N 0.213 119.995 119.914 -0.219 0.000 3.012 910 V HA 0.205 4.325 4.120 -0.000 0.000 0.307 910 V C -0.793 175.226 176.094 -0.124 0.000 1.166 910 V CA -1.085 61.122 62.300 -0.155 0.000 0.974 910 V CB 2.808 34.548 31.823 -0.139 0.000 1.040 910 V HN 0.183 nan 8.190 nan 0.000 0.428 911 C N 5.552 124.785 119.300 -0.112 0.000 2.281 911 C HA 0.691 5.151 4.460 -0.000 0.000 0.325 911 C C -0.202 174.714 174.990 -0.123 0.000 1.282 911 C CA -0.545 58.374 59.018 -0.166 0.000 1.640 911 C CB -0.726 26.902 27.740 -0.187 0.000 2.288 911 C HN 0.806 nan 8.230 nan 0.000 0.507 912 L N 5.816 126.922 121.223 -0.194 0.000 2.268 912 L HA 0.314 4.654 4.340 -0.000 0.000 0.289 912 L C 0.210 177.129 176.870 0.081 0.000 1.064 912 L CA -0.028 54.738 54.840 -0.123 0.000 0.824 912 L CB 0.325 42.102 42.059 -0.470 0.000 1.202 912 L HN 0.700 nan 8.230 nan 0.000 0.433 913 D N 2.284 122.821 120.400 0.228 0.000 2.382 913 D HA 0.085 4.725 4.640 -0.000 0.000 0.245 913 D C 0.136 176.643 176.300 0.345 0.000 1.120 913 D CA -0.102 54.035 54.000 0.228 0.000 0.890 913 D CB 1.123 42.017 40.800 0.156 0.000 1.201 913 D HN 0.506 nan 8.370 nan 0.000 0.433 914 T N 2.066 116.752 114.554 0.220 0.000 2.779 914 T HA 0.291 4.641 4.350 -0.000 0.000 0.296 914 T C -1.952 172.733 174.700 -0.025 0.000 0.938 914 T CA -1.344 60.810 62.100 0.090 0.000 1.119 914 T CB 1.402 70.273 68.868 0.005 0.000 0.891 914 T HN 0.227 nan 8.240 nan 0.000 0.526 915 P HA 0.034 nan 4.420 nan 0.000 0.222 915 P C 1.544 178.788 177.300 -0.095 0.000 1.153 915 P CA -0.118 62.913 63.100 -0.115 0.000 0.798 915 P CB 0.065 31.631 31.700 -0.224 0.000 0.796 916 L N -0.633 120.514 121.223 -0.127 0.000 1.976 916 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 916 L C 0.624 177.469 176.870 -0.042 0.000 1.071 916 L CA 1.860 56.645 54.840 -0.092 0.000 0.746 916 L CB -0.754 41.235 42.059 -0.117 0.000 0.890 916 L HN 0.022 nan 8.230 nan 0.000 0.432 917 C N 1.082 120.346 119.300 -0.061 0.000 2.442 917 C HA 0.419 4.879 4.460 -0.000 0.000 0.335 917 C C -0.092 174.823 174.990 -0.126 0.000 1.134 917 C CA -1.367 57.626 59.018 -0.043 0.000 1.344 917 C CB -0.813 26.919 27.740 -0.015 0.000 1.956 917 C HN 0.587 nan 8.230 nan 0.000 0.438 918 N N 2.559 121.211 118.700 -0.080 0.000 2.381 918 N HA 0.337 5.077 4.740 -0.000 0.000 0.241 918 N C 0.581 175.896 175.510 -0.325 0.000 1.279 918 N CA 0.171 53.155 53.050 -0.109 0.000 0.896 918 N CB 0.558 39.056 38.487 0.017 0.000 1.118 918 N HN 0.893 nan 8.380 nan 0.000 0.438 919 G N -0.229 108.454 108.800 -0.196 0.000 2.334 919 G HA2 0.015 3.975 3.960 -0.000 0.000 0.261 919 G HA3 0.015 3.975 3.960 -0.000 0.000 0.261 919 G C -0.198 174.591 174.900 -0.184 0.000 1.257 919 G CA -0.086 44.895 45.100 -0.198 0.000 0.935 919 G HN 0.714 nan 8.290 nan 0.000 0.480 920 H N 1.314 120.319 119.070 -0.108 0.000 2.276 920 H HA -0.003 4.553 4.556 -0.000 0.000 0.324 920 H C 2.671 177.861 175.328 -0.229 0.000 1.093 920 H CA 0.981 56.824 56.048 -0.341 0.000 1.539 920 H CB 0.181 29.866 29.762 -0.127 0.000 1.479 920 H HN 0.484 nan 8.280 nan 0.000 0.582 921 T N 0.286 115.018 114.554 0.296 0.000 2.746 921 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 921 T C 1.931 176.803 174.700 0.288 0.000 1.039 921 T CA 1.860 64.184 62.100 0.373 0.000 1.142 921 T CB -0.511 68.563 68.868 0.344 0.000 0.866 921 T HN 0.387 nan 8.240 nan 0.000 0.444 922 T N 1.148 115.829 114.554 0.212 0.000 2.881 922 T HA -0.013 4.337 4.350 -0.000 0.000 0.270 922 T C 2.259 177.058 174.700 0.165 0.000 1.068 922 T CA 1.126 63.369 62.100 0.238 0.000 1.131 922 T CB -0.694 68.280 68.868 0.177 0.000 0.871 922 T HN 0.539 nan 8.240 nan 0.000 0.479 923 G N 1.681 110.519 108.800 0.064 0.000 2.402 923 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 923 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 923 G C 1.519 176.452 174.900 0.056 0.000 1.162 923 G CA 0.495 45.602 45.100 0.011 0.000 0.777 923 G HN 0.309 nan 8.290 nan 0.000 0.539 924 M N 1.218 120.862 119.600 0.073 0.000 2.213 924 M HA -0.007 4.473 4.480 -0.000 0.000 0.263 924 M C 1.911 178.331 176.300 0.200 0.000 1.062 924 M CA 0.900 56.255 55.300 0.092 0.000 1.105 924 M CB -0.962 31.678 32.600 0.066 0.000 1.385 924 M HN 0.117 nan 8.290 nan 0.000 0.417 925 D N 0.848 121.439 120.400 0.318 0.000 2.078 925 D HA -0.119 4.521 4.640 -0.000 0.000 0.193 925 D C 2.185 178.597 176.300 0.187 0.000 0.990 925 D CA 1.787 55.973 54.000 0.310 0.000 0.827 925 D CB -0.674 40.246 40.800 0.198 0.000 0.975 925 D HN 0.360 nan 8.370 nan 0.000 0.451 926 V N -0.458 119.545 119.914 0.149 0.000 2.490 926 V HA -0.163 3.957 4.120 -0.000 0.000 0.250 926 V C 2.493 178.657 176.094 0.116 0.000 1.061 926 V CA 1.165 63.527 62.300 0.104 0.000 1.064 926 V CB -0.995 30.849 31.823 0.035 0.000 0.670 926 V HN 0.119 nan 8.190 nan 0.000 0.461 927 L N -1.290 120.038 121.223 0.175 0.000 2.141 927 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 927 L C 2.553 179.548 176.870 0.208 0.000 1.094 927 L CA 2.025 56.996 54.840 0.218 0.000 0.763 927 L CB -0.504 41.737 42.059 0.302 0.000 0.908 927 L HN 0.560 nan 8.230 nan 0.000 0.437 928 W N 0.781 122.047 121.300 -0.057 0.000 2.425 928 W HA -0.144 4.516 4.660 -0.000 0.000 0.277 928 W C 1.950 178.376 176.519 -0.154 0.000 1.231 928 W CA 1.064 58.201 57.345 -0.346 0.000 1.248 928 W CB 0.220 29.469 29.460 -0.352 0.000 1.117 928 W HN 0.135 nan 8.180 nan 0.000 0.568 929 A N 0.110 122.921 122.820 -0.014 0.000 2.238 929 A HA 0.282 4.602 4.320 -0.000 0.000 0.208 929 A C 1.470 179.116 177.584 0.104 0.000 1.177 929 A CA 1.038 53.070 52.037 -0.007 0.000 0.804 929 A CB -1.030 17.991 19.000 0.036 0.000 0.823 929 A HN 0.554 nan 8.150 nan 0.000 0.482 930 G N -0.691 108.155 108.800 0.077 0.000 2.225 930 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.264 930 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.264 930 G C 0.151 175.113 174.900 0.103 0.000 1.060 930 G CA 0.422 45.638 45.100 0.194 0.000 0.833 930 G HN 0.572 nan 8.290 nan 0.000 0.498 931 T N 2.005 116.592 114.554 0.055 0.000 2.743 931 T HA 0.520 4.870 4.350 -0.000 0.000 0.292 931 T C -2.208 172.489 174.700 -0.005 0.000 0.972 931 T CA -0.983 61.122 62.100 0.009 0.000 0.967 931 T CB 2.050 70.918 68.868 -0.001 0.000 0.926 931 T HN 0.086 nan 8.240 nan 0.000 0.459 932 P HA 0.147 nan 4.420 nan 0.000 0.264 932 P C -0.590 176.684 177.300 -0.042 0.000 1.193 932 P CA -0.125 62.953 63.100 -0.038 0.000 0.763 932 P CB 0.372 32.030 31.700 -0.069 0.000 0.810 933 M N 4.080 123.664 119.600 -0.028 0.000 2.243 933 M HA 0.370 4.850 4.480 -0.000 0.000 0.324 933 M C -1.412 174.873 176.300 -0.026 0.000 1.031 933 M CA -0.842 54.440 55.300 -0.030 0.000 0.949 933 M CB 1.251 33.843 32.600 -0.013 0.000 1.615 933 M HN -0.069 nan 8.290 nan 0.000 0.430 934 V N 3.901 123.783 119.914 -0.053 0.000 2.407 934 V HA 0.596 4.716 4.120 -0.000 0.000 0.278 934 V C 0.048 176.175 176.094 0.055 0.000 1.037 934 V CA -0.327 61.911 62.300 -0.103 0.000 0.900 934 V CB 1.320 32.936 31.823 -0.345 0.000 0.983 934 V HN 0.935 nan 8.190 nan 0.000 0.459 935 T N 5.204 119.850 114.554 0.153 0.000 2.883 935 T HA 0.630 4.980 4.350 -0.000 0.000 0.301 935 T C -1.022 173.868 174.700 0.317 0.000 1.158 935 T CA -0.633 61.647 62.100 0.301 0.000 1.007 935 T CB 1.606 70.563 68.868 0.147 0.000 1.186 935 T HN 0.692 nan 8.240 nan 0.000 0.499 936 M N 4.739 124.482 119.600 0.239 0.000 1.999 936 M HA 0.453 4.933 4.480 -0.000 0.000 0.299 936 M C -2.632 173.702 176.300 0.057 0.000 0.900 936 M CA -1.954 53.423 55.300 0.130 0.000 0.904 936 M CB 1.574 34.193 32.600 0.032 0.000 1.477 936 M HN 0.281 nan 8.290 nan 0.000 0.403 937 P HA 0.189 nan 4.420 nan 0.000 0.267 937 P C -0.083 177.242 177.300 0.042 0.000 1.205 937 P CA 0.114 63.247 63.100 0.055 0.000 0.765 937 P CB 0.871 32.605 31.700 0.057 0.000 0.828 938 G N 2.302 111.127 108.800 0.043 0.000 2.773 938 G HA2 0.129 4.089 3.960 -0.000 0.000 0.186 938 G HA3 0.129 4.089 3.960 -0.000 0.000 0.186 938 G C 0.419 175.361 174.900 0.070 0.000 1.411 938 G CA -0.234 44.890 45.100 0.041 0.000 1.054 938 G HN 0.443 nan 8.290 nan 0.000 0.579 939 E N -0.655 119.604 120.200 0.098 0.000 2.244 939 E HA 0.057 4.407 4.350 -0.000 0.000 0.196 939 E C 1.159 177.876 176.600 0.194 0.000 0.939 939 E CA 0.497 56.995 56.400 0.162 0.000 0.884 939 E CB 0.091 29.962 29.700 0.284 0.000 0.850 939 E HN 0.504 nan 8.360 nan 0.000 0.481 940 T N -0.548 114.114 114.554 0.180 0.000 2.900 940 T HA 0.091 4.441 4.350 -0.000 0.000 0.307 940 T C 1.256 176.029 174.700 0.122 0.000 1.065 940 T CA -0.385 61.800 62.100 0.140 0.000 1.105 940 T CB 1.480 70.402 68.868 0.089 0.000 0.979 940 T HN 0.075 nan 8.240 nan 0.000 0.544 941 L N 2.040 123.335 121.223 0.120 0.000 2.012 941 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 941 L C 2.844 179.806 176.870 0.154 0.000 1.073 941 L CA 1.992 56.934 54.840 0.170 0.000 0.748 941 L CB -1.102 41.081 42.059 0.207 0.000 0.891 941 L HN 0.965 nan 8.230 nan 0.000 0.431 942 A N -0.567 122.341 122.820 0.147 0.000 2.024 942 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 942 A C 2.204 179.956 177.584 0.279 0.000 1.164 942 A CA 1.900 54.095 52.037 0.265 0.000 0.643 942 A CB -0.719 18.426 19.000 0.243 0.000 0.806 942 A HN 0.683 nan 8.150 nan 0.000 0.451 943 S N -1.996 113.798 115.700 0.157 0.000 2.577 943 S HA 0.252 4.722 4.470 -0.000 0.000 0.219 943 S C 1.171 175.830 174.600 0.098 0.000 0.962 943 S CA -0.053 58.210 58.200 0.105 0.000 0.921 943 S CB 0.064 63.300 63.200 0.060 0.000 0.789 943 S HN 0.610 nan 8.310 nan 0.000 0.497 944 R N -0.187 120.386 120.500 0.120 0.000 2.521 944 R HA 0.317 4.657 4.340 -0.000 0.000 0.289 944 R C 1.097 177.450 176.300 0.089 0.000 0.936 944 R CA 0.220 56.379 56.100 0.100 0.000 1.089 944 R CB 0.183 30.548 30.300 0.108 0.000 1.348 944 R HN 0.255 nan 8.270 nan 0.000 0.536 945 V N 1.275 121.245 119.914 0.094 0.000 2.343 945 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 945 V C 2.484 178.534 176.094 -0.074 0.000 1.051 945 V CA 2.344 64.643 62.300 -0.003 0.000 1.036 945 V CB -0.527 31.236 31.823 -0.100 0.000 0.654 945 V HN 0.365 nan 8.190 nan 0.000 0.451 946 A N 0.143 122.951 122.820 -0.020 0.000 1.877 946 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 946 A C 2.453 180.025 177.584 -0.019 0.000 1.186 946 A CA 2.155 54.170 52.037 -0.037 0.000 0.620 946 A CB -0.877 18.126 19.000 0.006 0.000 0.822 946 A HN 0.575 nan 8.150 nan 0.000 0.443 947 A N -0.869 121.961 122.820 0.015 0.000 1.940 947 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 947 A C 2.477 180.066 177.584 0.008 0.000 1.176 947 A CA 2.236 54.286 52.037 0.023 0.000 0.631 947 A CB -0.983 18.042 19.000 0.041 0.000 0.814 947 A HN 0.566 nan 8.150 nan 0.000 0.446 948 S N -0.737 114.964 115.700 0.002 0.000 2.368 948 S HA -0.248 4.222 4.470 -0.000 0.000 0.225 948 S C 2.166 176.748 174.600 -0.031 0.000 1.030 948 S CA 1.788 59.988 58.200 -0.000 0.000 0.999 948 S CB -0.390 62.822 63.200 0.021 0.000 0.844 948 S HN 0.694 nan 8.310 nan 0.000 0.459 949 Q N 0.256 120.006 119.800 -0.083 0.000 2.061 949 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 949 Q C 2.320 178.282 176.000 -0.063 0.000 0.984 949 Q CA 1.695 57.430 55.803 -0.112 0.000 0.846 949 Q CB -0.334 28.303 28.738 -0.168 0.000 0.902 949 Q HN 0.517 nan 8.270 nan 0.000 0.421 950 L N 0.377 121.580 121.223 -0.033 0.000 2.056 950 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 950 L C 2.840 179.712 176.870 0.003 0.000 1.078 950 L CA 1.588 56.423 54.840 -0.008 0.000 0.749 950 L CB -0.930 41.132 42.059 0.005 0.000 0.901 950 L HN 0.442 nan 8.230 nan 0.000 0.433 951 T N -3.300 111.261 114.554 0.010 0.000 2.788 951 T HA -0.266 4.084 4.350 -0.000 0.000 0.268 951 T C 2.092 176.809 174.700 0.029 0.000 1.044 951 T CA 1.229 63.344 62.100 0.025 0.000 1.139 951 T CB -1.036 67.851 68.868 0.032 0.000 0.867 951 T HN 0.449 nan 8.240 nan 0.000 0.454 952 C N 0.704 120.016 119.300 0.020 0.000 2.429 952 C HA 0.094 4.554 4.460 -0.000 0.000 0.277 952 C C 2.560 177.531 174.990 -0.031 0.000 1.262 952 C CA 0.691 59.713 59.018 0.007 0.000 1.733 952 C CB -1.792 25.945 27.740 -0.006 0.000 2.010 952 C HN 0.612 nan 8.230 nan 0.000 0.483 953 L N 1.446 122.656 121.223 -0.023 0.000 2.046 953 L HA 0.215 4.555 4.340 -0.000 0.000 0.208 953 L C 1.729 178.602 176.870 0.004 0.000 1.077 953 L CA 2.667 57.505 54.840 -0.004 0.000 0.747 953 L CB -0.764 41.303 42.059 0.014 0.000 0.896 953 L HN 0.632 nan 8.230 nan 0.000 0.432 954 G N -2.542 106.264 108.800 0.009 0.000 2.245 954 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.130 954 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.130 954 G C -0.030 174.880 174.900 0.017 0.000 1.040 954 G CA -0.204 44.905 45.100 0.015 0.000 0.713 954 G HN 0.306 nan 8.290 nan 0.000 0.488 955 C N 1.763 121.073 119.300 0.017 0.000 3.169 955 C HA 0.435 4.895 4.460 -0.000 0.000 0.232 955 C C 1.885 176.889 174.990 0.024 0.000 1.316 955 C CA -0.434 58.594 59.018 0.016 0.000 1.545 955 C CB -0.831 26.913 27.740 0.007 0.000 1.785 955 C HN 0.546 nan 8.230 nan 0.000 0.454 956 L N 1.282 122.524 121.223 0.031 0.000 2.465 956 L HA -0.051 4.289 4.340 -0.000 0.000 0.224 956 L C 2.593 179.489 176.870 0.044 0.000 1.145 956 L CA 1.099 55.961 54.840 0.036 0.000 0.834 956 L CB -0.196 41.885 42.059 0.036 0.000 0.944 956 L HN 0.677 nan 8.230 nan 0.000 0.451 957 E N 0.782 121.013 120.200 0.052 0.000 2.489 957 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 957 E C 1.455 178.098 176.600 0.070 0.000 1.057 957 E CA 0.429 56.874 56.400 0.075 0.000 0.866 957 E CB 0.148 29.919 29.700 0.118 0.000 0.916 957 E HN 0.546 nan 8.360 nan 0.000 0.500 958 L N 0.928 122.177 121.223 0.042 0.000 2.693 958 L HA 0.368 4.708 4.340 -0.000 0.000 0.235 958 L C 0.629 177.516 176.870 0.030 0.000 1.127 958 L CA -0.099 54.755 54.840 0.023 0.000 0.914 958 L CB 0.320 42.382 42.059 0.004 0.000 1.193 958 L HN 0.024 nan 8.230 nan 0.000 0.502 959 I N 0.879 121.477 120.570 0.047 0.000 2.328 959 I HA 0.364 4.534 4.170 -0.000 0.000 0.287 959 I C 0.318 176.481 176.117 0.077 0.000 1.012 959 I CA -0.343 60.996 61.300 0.064 0.000 1.195 959 I CB 1.486 39.518 38.000 0.054 0.000 1.350 959 I HN -0.054 nan 8.210 nan 0.000 0.464 960 A N 6.167 129.057 122.820 0.117 0.000 2.309 960 A HA 0.418 4.738 4.320 -0.000 0.000 0.298 960 A C 0.795 178.440 177.584 0.103 0.000 1.165 960 A CA -0.535 51.579 52.037 0.128 0.000 0.821 960 A CB 0.708 19.845 19.000 0.227 0.000 1.102 960 A HN 0.817 nan 8.150 nan 0.000 0.500 961 K N 0.599 121.044 120.400 0.076 0.000 2.305 961 K HA -0.007 4.313 4.320 -0.000 0.000 0.199 961 K C 0.068 176.696 176.600 0.046 0.000 1.047 961 K CA 1.249 57.568 56.287 0.054 0.000 0.976 961 K CB -0.020 32.505 32.500 0.041 0.000 0.765 961 K HN 0.914 nan 8.250 nan 0.000 0.474 962 N N -1.851 116.882 118.700 0.056 0.000 3.106 962 N HA 0.150 4.890 4.740 -0.000 0.000 0.253 962 N C -0.035 175.506 175.510 0.052 0.000 1.506 962 N CA -0.899 52.172 53.050 0.035 0.000 0.876 962 N CB 0.577 39.077 38.487 0.021 0.000 1.452 962 N HN -0.329 nan 8.380 nan 0.000 0.542 963 R N -0.918 119.588 120.500 0.010 0.000 2.091 963 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 963 R C 1.370 177.720 176.300 0.083 0.000 1.136 963 R CA 1.772 57.876 56.100 0.006 0.000 0.959 963 R CB -0.393 29.876 30.300 -0.053 0.000 0.856 963 R HN 0.652 nan 8.270 nan 0.000 0.437 964 Q N 1.199 121.033 119.800 0.057 0.000 2.084 964 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 964 Q C 1.808 177.856 176.000 0.080 0.000 0.978 964 Q CA 1.756 57.594 55.803 0.060 0.000 0.844 964 Q CB -0.036 28.722 28.738 0.033 0.000 0.898 964 Q HN 0.375 nan 8.270 nan 0.000 0.426 965 E N -1.519 118.732 120.200 0.086 0.000 2.152 965 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 965 E C 1.641 178.310 176.600 0.115 0.000 0.983 965 E CA 0.726 57.175 56.400 0.081 0.000 0.818 965 E CB -0.209 29.532 29.700 0.069 0.000 0.758 965 E HN 0.561 nan 8.360 nan 0.000 0.467 966 Y N 1.575 121.891 120.300 0.026 0.000 2.114 966 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 966 Y C 1.911 177.835 175.900 0.040 0.000 1.143 966 Y CA 2.217 60.340 58.100 0.039 0.000 1.135 966 Y CB 0.044 38.528 38.460 0.041 0.000 0.980 966 Y HN 0.050 nan 8.280 nan 0.000 0.499 967 E N -0.145 120.210 120.200 0.259 0.000 2.085 967 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 967 E C 1.748 178.371 176.600 0.038 0.000 0.994 967 E CA 1.359 57.844 56.400 0.141 0.000 0.801 967 E CB -0.161 29.617 29.700 0.130 0.000 0.743 967 E HN 0.541 nan 8.360 nan 0.000 0.453 968 D N 0.719 121.143 120.400 0.039 0.000 2.117 968 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 968 D C 2.005 178.305 176.300 0.001 0.000 0.987 968 D CA 0.822 54.831 54.000 0.015 0.000 0.829 968 D CB -0.175 40.633 40.800 0.013 0.000 0.961 968 D HN 0.181 nan 8.370 nan 0.000 0.460 969 I N 0.988 121.551 120.570 -0.011 0.000 2.286 969 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 969 I C 2.362 178.483 176.117 0.006 0.000 1.115 969 I CA 0.984 62.283 61.300 -0.003 0.000 1.392 969 I CB -0.141 37.842 38.000 -0.028 0.000 1.065 969 I HN -0.065 nan 8.210 nan 0.000 0.418 970 A N 0.107 122.890 122.820 -0.062 0.000 1.930 970 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 970 A C 2.349 179.999 177.584 0.111 0.000 1.176 970 A CA 0.960 52.996 52.037 -0.001 0.000 0.632 970 A CB -0.670 18.230 19.000 -0.167 0.000 0.819 970 A HN 0.220 nan 8.150 nan 0.000 0.445 971 V N 0.280 120.224 119.914 0.051 0.000 2.626 971 V HA -0.216 3.904 4.120 -0.000 0.000 0.252 971 V C 2.463 178.604 176.094 0.079 0.000 1.067 971 V CA 2.262 64.606 62.300 0.073 0.000 1.081 971 V CB -0.541 31.303 31.823 0.035 0.000 0.686 971 V HN 0.679 nan 8.190 nan 0.000 0.468 972 K N 0.099 120.537 120.400 0.064 0.000 2.031 972 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 972 K C 2.105 178.798 176.600 0.154 0.000 1.049 972 K CA 1.175 57.495 56.287 0.055 0.000 0.939 972 K CB -0.154 32.322 32.500 -0.041 0.000 0.717 972 K HN 0.367 nan 8.250 nan 0.000 0.438 973 L N 0.254 121.600 121.223 0.205 0.000 2.187 973 L HA -0.109 4.231 4.340 -0.000 0.000 0.213 973 L C 2.354 179.266 176.870 0.071 0.000 1.100 973 L CA 1.266 56.208 54.840 0.169 0.000 0.765 973 L CB -0.376 41.737 42.059 0.091 0.000 0.904 973 L HN 0.434 nan 8.230 nan 0.000 0.437 974 G N -1.190 107.667 108.800 0.096 0.000 2.539 974 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.215 974 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.215 974 G C 1.641 176.568 174.900 0.045 0.000 1.141 974 G CA 0.977 46.109 45.100 0.053 0.000 0.806 974 G HN 0.430 nan 8.290 nan 0.000 0.533 975 T N -3.098 111.493 114.554 0.062 0.000 3.018 975 T HA 0.115 4.465 4.350 -0.000 0.000 0.246 975 T C 0.563 175.286 174.700 0.039 0.000 1.026 975 T CA 0.323 62.449 62.100 0.043 0.000 1.081 975 T CB 0.354 69.245 68.868 0.038 0.000 0.970 975 T HN 0.018 nan 8.240 nan 0.000 0.475 976 D N 1.296 121.732 120.400 0.060 0.000 2.428 976 D HA 0.279 4.919 4.640 -0.000 0.000 0.221 976 D C 1.081 177.434 176.300 0.089 0.000 1.123 976 D CA -0.484 53.558 54.000 0.070 0.000 0.869 976 D CB 0.574 41.418 40.800 0.074 0.000 1.032 976 D HN 0.234 nan 8.370 nan 0.000 0.506 977 L N 2.618 123.870 121.223 0.047 0.000 2.201 977 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 977 L C 1.768 178.651 176.870 0.022 0.000 1.105 977 L CA 0.889 55.744 54.840 0.026 0.000 0.775 977 L CB 0.025 42.091 42.059 0.011 0.000 0.913 977 L HN 0.349 nan 8.230 nan 0.000 0.440 978 E N -0.846 119.378 120.200 0.040 0.000 2.107 978 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 978 E C 1.893 178.531 176.600 0.063 0.000 0.982 978 E CA 0.898 57.318 56.400 0.034 0.000 0.809 978 E CB -0.176 29.545 29.700 0.035 0.000 0.756 978 E HN 0.351 nan 8.360 nan 0.000 0.459 979 Y N 0.983 121.270 120.300 -0.021 0.000 2.181 979 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 979 Y C 2.025 177.912 175.900 -0.023 0.000 1.146 979 Y CA 1.114 59.203 58.100 -0.018 0.000 1.164 979 Y CB -0.218 38.234 38.460 -0.014 0.000 0.982 979 Y HN 0.092 nan 8.280 nan 0.000 0.515 980 L N 1.068 122.262 121.223 -0.048 0.000 2.046 980 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 980 L C 2.416 179.196 176.870 -0.150 0.000 1.077 980 L CA 2.186 56.947 54.840 -0.133 0.000 0.747 980 L CB -0.909 41.117 42.059 -0.056 0.000 0.896 980 L HN 0.237 nan 8.230 nan 0.000 0.432 981 K N -0.304 120.037 120.400 -0.099 0.000 2.097 981 K HA -0.246 4.074 4.320 -0.000 0.000 0.205 981 K C 2.293 178.827 176.600 -0.110 0.000 1.050 981 K CA 1.614 57.843 56.287 -0.096 0.000 0.938 981 K CB -0.144 32.314 32.500 -0.069 0.000 0.718 981 K HN 0.400 nan 8.250 nan 0.000 0.442 982 K N 0.316 120.641 120.400 -0.125 0.000 2.097 982 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 982 K C 1.699 178.203 176.600 -0.161 0.000 1.050 982 K CA 1.238 57.453 56.287 -0.120 0.000 0.938 982 K CB 0.179 32.622 32.500 -0.095 0.000 0.718 982 K HN 0.013 nan 8.250 nan 0.000 0.442 983 V N 1.392 121.144 119.914 -0.270 0.000 2.407 983 V HA -0.100 4.020 4.120 -0.000 0.000 0.245 983 V C 2.333 178.350 176.094 -0.129 0.000 1.041 983 V CA 1.390 63.542 62.300 -0.246 0.000 1.040 983 V CB -0.501 31.090 31.823 -0.386 0.000 0.671 983 V HN 0.309 nan 8.190 nan 0.000 0.455 984 R N 0.577 121.004 120.500 -0.122 0.000 2.091 984 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 984 R C 2.465 178.763 176.300 -0.004 0.000 1.136 984 R CA 1.600 57.659 56.100 -0.068 0.000 0.959 984 R CB -0.862 29.375 30.300 -0.105 0.000 0.856 984 R HN 0.586 nan 8.270 nan 0.000 0.437 985 G N 1.078 109.861 108.800 -0.029 0.000 2.432 985 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 985 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 985 G C 1.355 176.303 174.900 0.079 0.000 1.135 985 G CA 0.583 45.702 45.100 0.032 0.000 0.767 985 G HN 0.254 nan 8.290 nan 0.000 0.550 986 K N -0.117 120.296 120.400 0.021 0.000 1.973 986 K HA -0.016 4.304 4.320 -0.000 0.000 0.210 986 K C 2.641 179.264 176.600 0.038 0.000 1.045 986 K CA 1.254 57.551 56.287 0.016 0.000 0.937 986 K CB -0.343 32.145 32.500 -0.021 0.000 0.721 986 K HN 0.115 nan 8.250 nan 0.000 0.438 987 V N 1.070 121.007 119.914 0.039 0.000 2.380 987 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 987 V C 2.021 178.155 176.094 0.067 0.000 1.063 987 V CA 1.911 64.243 62.300 0.053 0.000 1.055 987 V CB -0.699 31.155 31.823 0.051 0.000 0.657 987 V HN 0.582 nan 8.190 nan 0.000 0.455 988 W N 1.202 122.442 121.300 -0.100 0.000 2.374 988 W HA -0.189 4.471 4.660 -0.000 0.000 0.288 988 W C 2.409 178.848 176.519 -0.134 0.000 1.218 988 W CA 2.141 59.400 57.345 -0.142 0.000 1.245 988 W CB 0.056 29.436 29.460 -0.133 0.000 1.126 988 W HN 0.273 nan 8.180 nan 0.000 0.545 989 K N 0.360 120.735 120.400 -0.041 0.000 2.099 989 K HA -0.130 4.190 4.320 -0.000 0.000 0.203 989 K C 2.121 178.653 176.600 -0.112 0.000 1.047 989 K CA 1.044 57.262 56.287 -0.116 0.000 0.963 989 K CB -0.362 32.137 32.500 -0.003 0.000 0.759 989 K HN 0.100 nan 8.250 nan 0.000 0.451 990 Q N 0.496 120.270 119.800 -0.044 0.000 2.297 990 Q HA -0.106 4.234 4.340 -0.000 0.000 0.204 990 Q C 1.900 177.916 176.000 0.026 0.000 0.962 990 Q CA 0.984 56.781 55.803 -0.009 0.000 0.879 990 Q CB 0.033 28.778 28.738 0.011 0.000 0.947 990 Q HN 0.334 nan 8.270 nan 0.000 0.462 991 R N 0.275 120.782 120.500 0.012 0.000 2.193 991 R HA -0.117 4.223 4.340 -0.000 0.000 0.229 991 R C 1.360 177.762 176.300 0.171 0.000 1.110 991 R CA 1.166 57.363 56.100 0.161 0.000 0.988 991 R CB -0.073 30.209 30.300 -0.031 0.000 0.871 991 R HN 0.199 nan 8.270 nan 0.000 0.458 992 I N 1.144 121.698 120.570 -0.027 0.000 3.172 992 I HA -0.032 4.138 4.170 -0.000 0.000 0.278 992 I C 2.343 178.476 176.117 0.027 0.000 1.174 992 I CA 1.052 62.351 61.300 -0.002 0.000 1.445 992 I CB -0.383 37.529 38.000 -0.146 0.000 1.175 992 I HN 0.304 nan 8.210 nan 0.000 0.447 993 S N 0.684 116.382 115.700 -0.003 0.000 2.425 993 S HA 0.005 4.475 4.470 -0.000 0.000 0.225 993 S C 1.375 175.979 174.600 0.006 0.000 1.024 993 S CA 0.281 58.480 58.200 -0.001 0.000 0.951 993 S CB -0.425 62.767 63.200 -0.013 0.000 0.796 993 S HN 0.459 nan 8.310 nan 0.000 0.498 994 S N 2.513 118.221 115.700 0.014 0.000 2.641 994 S HA 0.395 4.865 4.470 -0.000 0.000 0.261 994 S C -1.906 172.681 174.600 -0.021 0.000 1.257 994 S CA -0.926 57.263 58.200 -0.018 0.000 0.983 994 S CB 0.408 63.599 63.200 -0.015 0.000 0.990 994 S HN 0.277 nan 8.310 nan 0.000 0.572 995 P HA 0.167 nan 4.420 nan 0.000 0.257 995 P C 1.196 178.461 177.300 -0.058 0.000 1.281 995 P CA -0.200 62.844 63.100 -0.095 0.000 0.826 995 P CB 0.010 31.554 31.700 -0.261 0.000 1.237 996 L N -0.171 121.007 121.223 -0.075 0.000 2.017 996 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 996 L C 1.441 178.101 176.870 -0.350 0.000 1.073 996 L CA 2.098 56.804 54.840 -0.223 0.000 0.745 996 L CB -1.245 40.637 42.059 -0.295 0.000 0.894 996 L HN -0.163 nan 8.230 nan 0.000 0.432 997 F N -1.012 118.946 119.950 0.012 0.000 2.668 997 F HA 0.267 4.794 4.527 -0.000 0.000 0.297 997 F C 0.843 176.634 175.800 -0.015 0.000 1.124 997 F CA -0.386 57.601 58.000 -0.021 0.000 1.353 997 F CB -0.466 38.540 39.000 0.011 0.000 0.992 997 F HN 0.075 nan 8.300 nan 0.000 0.524 998 N N 1.167 119.937 118.700 0.117 0.000 2.602 998 N HA 0.003 4.743 4.740 -0.000 0.000 0.238 998 N C 1.198 176.760 175.510 0.087 0.000 1.084 998 N CA 0.292 53.399 53.050 0.095 0.000 0.952 998 N CB 0.837 39.369 38.487 0.076 0.000 1.244 998 N HN 0.233 nan 8.380 nan 0.000 0.512 999 T N 0.375 114.968 114.554 0.064 0.000 2.962 999 T HA -0.119 4.231 4.350 -0.000 0.000 0.270 999 T C 1.713 176.457 174.700 0.073 0.000 1.088 999 T CA 0.828 62.965 62.100 0.062 0.000 1.127 999 T CB 0.210 69.090 68.868 0.019 0.000 0.883 999 T HN 0.213 nan 8.240 nan 0.000 0.493 1000 K N 1.570 121.999 120.400 0.048 0.000 2.031 1000 K HA 0.019 4.339 4.320 -0.000 0.000 0.205 1000 K C 2.502 179.116 176.600 0.024 0.000 1.049 1000 K CA 1.455 57.756 56.287 0.022 0.000 0.939 1000 K CB -0.668 31.843 32.500 0.019 0.000 0.717 1000 K HN 0.509 nan 8.250 nan 0.000 0.438 1001 Q N -1.091 118.739 119.800 0.049 0.000 2.050 1001 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 1001 Q C 2.033 178.063 176.000 0.051 0.000 0.980 1001 Q CA 1.836 57.666 55.803 0.046 0.000 0.840 1001 Q CB -0.373 28.400 28.738 0.057 0.000 0.898 1001 Q HN 0.473 nan 8.270 nan 0.000 0.424 1002 Y N 0.981 121.270 120.300 -0.018 0.000 2.114 1002 Y HA -0.288 4.262 4.550 -0.000 0.000 0.282 1002 Y C 2.285 178.136 175.900 -0.082 0.000 1.165 1002 Y CA 2.306 60.396 58.100 -0.017 0.000 1.148 1002 Y CB -0.477 37.986 38.460 0.005 0.000 0.972 1002 Y HN 0.118 nan 8.280 nan 0.000 0.504 1003 T N 0.755 115.320 114.554 0.019 0.000 2.788 1003 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 1003 T C 1.875 176.395 174.700 -0.300 0.000 1.044 1003 T CA 1.891 63.870 62.100 -0.203 0.000 1.139 1003 T CB -0.287 68.432 68.868 -0.248 0.000 0.867 1003 T HN 0.386 nan 8.240 nan 0.000 0.454 1004 M N 0.608 120.099 119.600 -0.181 0.000 2.132 1004 M HA -0.065 4.415 4.480 -0.000 0.000 0.263 1004 M C 2.416 178.614 176.300 -0.171 0.000 1.065 1004 M CA 1.246 56.461 55.300 -0.142 0.000 1.122 1004 M CB -0.237 32.329 32.600 -0.057 0.000 1.365 1004 M HN 0.114 nan 8.290 nan 0.000 0.411 1005 E N 0.445 120.523 120.200 -0.202 0.000 2.077 1005 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 1005 E C 2.014 178.402 176.600 -0.354 0.000 0.989 1005 E CA 1.161 57.425 56.400 -0.226 0.000 0.800 1005 E CB -0.612 28.957 29.700 -0.220 0.000 0.746 1005 E HN 0.372 nan 8.360 nan 0.000 0.452 1006 L N 1.773 122.672 121.223 -0.540 0.000 2.046 1006 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 1006 L C 2.024 178.408 176.870 -0.809 0.000 1.077 1006 L CA 1.806 56.203 54.840 -0.738 0.000 0.747 1006 L CB -0.331 41.255 42.059 -0.788 0.000 0.896 1006 L HN 0.026 nan 8.230 nan 0.000 0.432 1007 E N -0.760 119.117 120.200 -0.537 0.000 2.077 1007 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 1007 E C 2.306 178.917 176.600 0.018 0.000 0.989 1007 E CA 1.330 57.523 56.400 -0.346 0.000 0.800 1007 E CB -0.242 29.224 29.700 -0.390 0.000 0.746 1007 E HN 0.433 nan 8.360 nan 0.000 0.452 1008 R N 0.803 121.274 120.500 -0.048 0.000 2.083 1008 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 1008 R C 2.407 178.705 176.300 -0.003 0.000 1.137 1008 R CA 1.171 57.282 56.100 0.019 0.000 0.951 1008 R CB -0.305 29.982 30.300 -0.022 0.000 0.851 1008 R HN 0.150 nan 8.270 nan 0.000 0.434 1009 L N 0.394 121.543 121.223 -0.123 0.000 2.042 1009 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 1009 L C 1.850 178.718 176.870 -0.004 0.000 1.076 1009 L CA 1.720 56.485 54.840 -0.125 0.000 0.749 1009 L CB -0.722 41.197 42.059 -0.232 0.000 0.893 1009 L HN 0.197 nan 8.230 nan 0.000 0.432 1010 Y N -0.322 119.979 120.300 0.002 0.000 2.145 1010 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 1010 Y C 2.533 178.512 175.900 0.132 0.000 1.145 1010 Y CA 1.288 59.427 58.100 0.066 0.000 1.148 1010 Y CB -0.999 37.578 38.460 0.195 0.000 0.981 1010 Y HN 0.152 nan 8.280 nan 0.000 0.507 1011 L N -0.479 120.951 121.223 0.344 0.000 2.083 1011 L HA -0.265 4.075 4.340 -0.000 0.000 0.209 1011 L C 2.421 179.412 176.870 0.201 0.000 1.083 1011 L CA 1.288 56.287 54.840 0.266 0.000 0.752 1011 L CB -0.635 41.553 42.059 0.215 0.000 0.899 1011 L HN 0.285 nan 8.230 nan 0.000 0.433 1012 Q N -0.389 119.484 119.800 0.123 0.000 2.030 1012 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 1012 Q C 2.356 178.405 176.000 0.081 0.000 0.986 1012 Q CA 1.773 57.617 55.803 0.067 0.000 0.843 1012 Q CB -0.194 28.540 28.738 -0.008 0.000 0.904 1012 Q HN 0.501 nan 8.270 nan 0.000 0.420 1013 M N -0.592 119.030 119.600 0.038 0.000 2.082 1013 M HA -0.254 4.226 4.480 -0.000 0.000 0.258 1013 M C 2.043 178.488 176.300 0.242 0.000 1.069 1013 M CA 1.675 56.991 55.300 0.026 0.000 1.102 1013 M CB -0.523 32.023 32.600 -0.090 0.000 1.336 1013 M HN 0.492 nan 8.290 nan 0.000 0.404 1014 W N 1.389 122.737 121.300 0.080 0.000 2.407 1014 W HA -0.157 4.503 4.660 -0.000 0.000 0.305 1014 W C 1.882 178.482 176.519 0.135 0.000 1.196 1014 W CA 1.130 58.531 57.345 0.094 0.000 1.311 1014 W CB -0.121 29.334 29.460 -0.008 0.000 1.135 1014 W HN 0.156 nan 8.180 nan 0.000 0.514 1015 E N 0.041 120.252 120.200 0.019 0.000 2.097 1015 E HA -0.292 4.058 4.350 -0.000 0.000 0.196 1015 E C 1.715 178.249 176.600 -0.109 0.000 1.000 1015 E CA 1.928 58.268 56.400 -0.100 0.000 0.804 1015 E CB -1.035 28.684 29.700 0.033 0.000 0.740 1015 E HN 0.492 nan 8.360 nan 0.000 0.454 1016 H N -0.593 118.433 119.070 -0.075 0.000 2.321 1016 H HA -0.175 4.381 4.556 -0.000 0.000 0.300 1016 H C 1.994 177.273 175.328 -0.083 0.000 1.087 1016 H CA 2.098 58.121 56.048 -0.042 0.000 1.319 1016 H CB -0.374 29.417 29.762 0.048 0.000 1.379 1016 H HN 0.253 nan 8.280 nan 0.000 0.501 1017 Y N 0.142 120.356 120.300 -0.144 0.000 2.242 1017 Y HA -0.067 4.483 4.550 -0.000 0.000 0.291 1017 Y C 2.436 178.069 175.900 -0.445 0.000 1.137 1017 Y CA 1.399 59.352 58.100 -0.245 0.000 1.181 1017 Y CB -0.596 37.771 38.460 -0.155 0.000 0.989 1017 Y HN 0.274 nan 8.280 nan 0.000 0.527 1018 A N 0.674 123.044 122.820 -0.750 0.000 1.969 1018 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 1018 A C 2.188 179.469 177.584 -0.504 0.000 1.169 1018 A CA 1.250 52.810 52.037 -0.794 0.000 0.635 1018 A CB -1.298 17.165 19.000 -0.894 0.000 0.810 1018 A HN 0.579 nan 8.150 nan 0.000 0.445 1019 A N -1.557 121.019 122.820 -0.408 0.000 2.255 1019 A HA 0.389 4.709 4.320 -0.000 0.000 0.206 1019 A C 1.779 179.171 177.584 -0.319 0.000 1.193 1019 A CA 1.231 53.087 52.037 -0.301 0.000 0.794 1019 A CB -1.136 17.720 19.000 -0.241 0.000 0.794 1019 A HN 1.847 nan 8.150 nan 0.000 0.481 1020 G N -0.977 107.577 108.800 -0.411 0.000 2.176 1020 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.253 1020 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.253 1020 G C 0.058 174.770 174.900 -0.314 0.000 0.979 1020 G CA 0.221 45.104 45.100 -0.361 0.000 0.641 1020 G HN 0.632 nan 8.290 nan 0.000 0.530 1021 N N 0.542 119.017 118.700 -0.375 0.000 2.483 1021 N HA 0.542 5.282 4.740 -0.000 0.000 0.269 1021 N C 0.338 175.763 175.510 -0.141 0.000 1.209 1021 N CA -0.018 52.827 53.050 -0.342 0.000 0.969 1021 N CB 0.655 38.681 38.487 -0.770 0.000 1.173 1021 N HN 0.308 nan 8.380 nan 0.000 0.475 1022 K N 0.911 121.298 120.400 -0.021 0.000 2.087 1022 K HA 0.379 4.699 4.320 -0.000 0.000 0.255 1022 K C -2.360 174.343 176.600 0.172 0.000 0.988 1022 K CA -1.689 54.644 56.287 0.077 0.000 0.915 1022 K CB 0.580 33.097 32.500 0.028 0.000 1.043 1022 K HN 0.341 nan 8.250 nan 0.000 0.457 1023 P HA -0.073 nan 4.420 nan 0.000 0.263 1023 P C -1.097 176.141 177.300 -0.103 0.000 1.175 1023 P CA 0.606 63.667 63.100 -0.064 0.000 0.761 1023 P CB 0.416 31.842 31.700 -0.458 0.000 0.794 1024 D N 0.239 120.581 120.400 -0.095 0.000 2.602 1024 D HA 0.184 4.824 4.640 -0.000 0.000 0.236 1024 D C -0.579 175.639 176.300 -0.137 0.000 1.209 1024 D CA -0.535 53.366 54.000 -0.165 0.000 0.831 1024 D CB 0.919 41.695 40.800 -0.040 0.000 1.478 1024 D HN 0.316 nan 8.370 nan 0.000 0.438 1025 H N 1.496 120.536 119.070 -0.051 0.000 3.073 1025 H HA 0.044 4.600 4.556 -0.000 0.000 0.340 1025 H C -0.025 175.223 175.328 -0.133 0.000 1.054 1025 H CA 0.644 56.637 56.048 -0.093 0.000 1.372 1025 H CB 0.493 30.166 29.762 -0.149 0.000 1.314 1025 H HN 0.282 nan 8.280 nan 0.000 0.603 1026 M N 4.483 124.044 119.600 -0.066 0.000 2.182 1026 M HA 0.145 4.625 4.480 -0.000 0.000 0.285 1026 M C -0.438 175.741 176.300 -0.201 0.000 0.956 1026 M CA -0.487 54.731 55.300 -0.137 0.000 0.878 1026 M CB 0.522 33.024 32.600 -0.164 0.000 1.373 1026 M HN 0.317 nan 8.290 nan 0.000 0.393 1027 I N 2.249 122.711 120.570 -0.179 0.000 2.541 1027 I HA 0.291 4.461 4.170 -0.000 0.000 0.295 1027 I C 0.734 176.839 176.117 -0.020 0.000 1.137 1027 I CA -0.013 61.206 61.300 -0.134 0.000 1.256 1027 I CB -1.129 36.788 38.000 -0.137 0.000 1.648 1027 I HN 0.721 nan 8.210 nan 0.000 0.570 1028 K N 0.000 120.393 120.400 -0.012 0.000 2.780 1028 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1028 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 1028 K CB 0.000 32.507 32.500 0.012 0.000 1.064 1028 K HN 0.000 nan 8.250 nan 0.000 0.543