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 2wmk_1_B DATA FIRST_RESID 422 DATA SEQUENCE VDKRREINNE HPLLMMPLYA NGEEFNQGKY TFWGGDTLTG KWENIPDDLK DATA SEQUENCE PYTVIQLHPD DLPKRDGAAR DFYEHMLEEA AKYVNPKTGK NEPIPVILTV DATA SEQUENCE YTAGNMPYYT SAHWLSTSWI DKMYQKYPNL HGIFSTANYW IWANDIENKA DATA SEQUENCE ADYLKVSAKN GGYFIWAEQN NGSAIEKAFG KNGKIAFQKS VDKYWKNLIF DATA SEQUENCE MFKNTPAAEG NDSTTESYMK GLWLSNHTYQ WGGLMDTWKW YETGKWKLFA DATA SEQUENCE SGNIGKSQGD RQWLTEPESM LGEEALGVYL NGGVVYNFEH PAYTYGVNNK DATA SEQUENCE ESLLFSEVIK EFFRYVIAHP APSKEKVLED TKVFIHGDYS NKGNGKFFVN DATA SEQUENCE VNTDREQTPL YMTGRYNVIP AIPGVLKTDX XXXXXXXXXX RIQIKEITSP DATA SEQUENCE EFSSTQARKE YLNKLYPMNY EGDIFAQKLD NRWFVYNYKV NENVKQTGKL DATA SEQUENCE KFNSLEMNVE FEPHTYGIFE RISNGLKVNL NNFRTNKDSL WSNAQDANQA DATA SEQUENCE KKLPQLTKKG AIKWIEEHYI KDTQFGEKRV TKIVLRGIDK LPTIHSLSGT DATA SEQUENCE NNSYDQPSLN FDQKNHMVTI TINSNGNLEF ELHF 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 422 V HA 0.000 nan 4.120 nan 0.000 0.244 422 V C 0.000 175.999 176.094 -0.158 0.000 1.182 422 V CA 0.000 62.218 62.300 -0.137 0.000 1.235 422 V CB 0.000 31.720 31.823 -0.171 0.000 1.184 423 D N 4.070 124.390 120.400 -0.135 0.000 2.425 423 D HA 0.182 4.823 4.640 0.001 0.000 0.247 423 D C 0.259 176.453 176.300 -0.176 0.000 1.147 423 D CA -0.028 53.891 54.000 -0.134 0.000 0.879 423 D CB 0.814 41.555 40.800 -0.098 0.000 1.179 423 D HN 0.283 nan 8.370 nan 0.000 0.456 424 K N 2.352 122.633 120.400 -0.198 0.000 2.485 424 K HA 0.013 4.334 4.320 0.001 0.000 0.277 424 K C 1.316 177.808 176.600 -0.180 0.000 0.990 424 K CA 0.094 56.237 56.287 -0.241 0.000 0.994 424 K CB 0.815 33.190 32.500 -0.208 0.000 0.906 424 K HN 0.363 nan 8.250 nan 0.000 0.488 425 R N 1.171 121.541 120.500 -0.217 0.000 2.193 425 R HA -0.086 4.254 4.340 0.001 0.000 0.213 425 R C 0.639 176.719 176.300 -0.366 0.000 1.055 425 R CA 1.001 56.928 56.100 -0.289 0.000 0.995 425 R CB 0.109 30.189 30.300 -0.366 0.000 0.893 425 R HN 0.642 nan 8.270 nan 0.000 0.459 426 R N -0.385 120.030 120.500 -0.142 0.000 2.734 426 R HA 0.326 4.667 4.340 0.001 0.000 0.271 426 R C -1.606 174.774 176.300 0.132 0.000 1.021 426 R CA -0.955 55.130 56.100 -0.025 0.000 0.893 426 R CB 1.081 31.397 30.300 0.026 0.000 1.244 426 R HN -0.275 nan 8.270 nan 0.000 0.464 427 E N 1.386 121.615 120.200 0.047 0.000 2.242 427 E HA 0.518 4.868 4.350 0.001 0.000 0.275 427 E C -1.122 175.560 176.600 0.137 0.000 1.002 427 E CA -0.705 55.739 56.400 0.074 0.000 0.841 427 E CB 1.288 30.847 29.700 -0.235 0.000 1.109 427 E HN 0.557 nan 8.360 nan 0.000 0.394 428 I N 4.786 125.484 120.570 0.213 0.000 2.500 428 I HA 0.430 4.601 4.170 0.001 0.000 0.286 428 I C -0.829 175.387 176.117 0.164 0.000 1.063 428 I CA -0.672 60.709 61.300 0.136 0.000 1.062 428 I CB 1.124 39.049 38.000 -0.124 0.000 1.223 428 I HN 0.615 nan 8.210 nan 0.000 0.435 429 N N 3.534 122.334 118.700 0.167 0.000 3.373 429 N HA 0.108 4.849 4.740 0.001 0.000 0.275 429 N C 0.098 175.677 175.510 0.115 0.000 1.489 429 N CA -0.784 52.328 53.050 0.103 0.000 0.872 429 N CB -0.058 38.523 38.487 0.157 0.000 1.555 429 N HN 0.326 nan 8.380 nan 0.000 0.500 430 N N 0.020 118.773 118.700 0.089 0.000 2.149 430 N HA -0.208 4.533 4.740 0.001 0.000 0.188 430 N C 0.510 176.041 175.510 0.036 0.000 1.019 430 N CA 1.879 54.961 53.050 0.053 0.000 0.857 430 N CB -0.511 38.015 38.487 0.065 0.000 0.997 430 N HN 0.778 nan 8.380 nan 0.000 0.426 431 E N -0.922 119.315 120.200 0.062 0.000 2.358 431 E HA -0.043 4.308 4.350 0.001 0.000 0.195 431 E C -0.085 176.375 176.600 -0.234 0.000 1.010 431 E CA 0.527 56.878 56.400 -0.081 0.000 0.856 431 E CB -0.100 29.566 29.700 -0.056 0.000 0.795 431 E HN 0.653 nan 8.360 nan 0.000 0.504 432 H N 0.189 119.357 119.070 0.163 0.000 2.336 432 H HA 0.187 4.744 4.556 0.001 0.000 0.230 432 H C -2.380 173.122 175.328 0.290 0.000 1.426 432 H CA -1.981 54.263 56.048 0.327 0.000 1.359 432 H CB 0.387 30.317 29.762 0.280 0.000 1.555 432 H HN 0.089 nan 8.280 nan 0.000 0.512 433 P HA 0.087 nan 4.420 nan 0.000 0.275 433 P C -0.544 177.087 177.300 0.552 0.000 1.266 433 P CA -0.623 62.666 63.100 0.315 0.000 0.793 433 P CB 1.655 33.480 31.700 0.209 0.000 1.074 434 L N 0.805 122.357 121.223 0.548 0.000 2.406 434 L HA 0.491 4.832 4.340 0.001 0.000 0.272 434 L C -1.439 175.620 176.870 0.314 0.000 0.980 434 L CA -0.875 54.217 54.840 0.420 0.000 0.831 434 L CB 1.274 43.438 42.059 0.174 0.000 1.253 434 L HN 0.117 nan 8.230 nan 0.000 0.406 435 L N 5.716 126.982 121.223 0.073 0.000 2.276 435 L HA 0.584 4.924 4.340 0.001 0.000 0.286 435 L C -0.519 176.364 176.870 0.022 0.000 1.024 435 L CA -0.137 54.571 54.840 -0.220 0.000 0.826 435 L CB 1.092 42.633 42.059 -0.863 0.000 1.211 435 L HN 0.694 nan 8.230 nan 0.000 0.422 436 M N 6.060 125.686 119.600 0.043 0.000 2.217 436 M HA 0.315 4.795 4.480 0.001 0.000 0.354 436 M C -0.398 175.910 176.300 0.013 0.000 1.225 436 M CA 0.494 55.788 55.300 -0.010 0.000 1.137 436 M CB 0.822 33.341 32.600 -0.135 0.000 1.576 436 M HN 0.455 nan 8.290 nan 0.000 0.461 437 M N 5.497 125.032 119.600 -0.109 0.000 2.065 437 M HA 0.358 4.838 4.480 0.001 0.000 0.308 437 M C -2.448 173.629 176.300 -0.372 0.000 0.939 437 M CA -2.009 53.097 55.300 -0.323 0.000 0.890 437 M CB 0.452 32.974 32.600 -0.129 0.000 1.383 437 M HN 0.236 nan 8.290 nan 0.000 0.381 438 P HA 0.373 nan 4.420 nan 0.000 0.275 438 P C -0.961 176.270 177.300 -0.115 0.000 1.228 438 P CA -0.230 62.788 63.100 -0.138 0.000 0.786 438 P CB 1.362 33.113 31.700 0.085 0.000 0.927 439 L N 3.347 124.558 121.223 -0.020 0.000 2.446 439 L HA 0.344 4.685 4.340 0.001 0.000 0.268 439 L C -0.701 176.340 176.870 0.285 0.000 0.975 439 L CA -0.854 53.883 54.840 -0.171 0.000 0.848 439 L CB 1.377 42.884 42.059 -0.920 0.000 1.225 439 L HN 0.307 nan 8.230 nan 0.000 0.410 440 Y N 2.123 122.579 120.300 0.259 0.000 2.367 440 Y HA 0.454 5.004 4.550 0.001 0.000 0.342 440 Y C 0.863 177.072 175.900 0.516 0.000 0.979 440 Y CA -0.706 57.608 58.100 0.357 0.000 1.161 440 Y CB 1.563 40.134 38.460 0.184 0.000 1.155 440 Y HN 0.609 nan 8.280 nan 0.000 0.503 441 A N 3.704 126.688 122.820 0.273 0.000 2.546 441 A HA -0.010 4.310 4.320 0.001 0.000 0.243 441 A C 0.529 178.018 177.584 -0.158 0.000 1.063 441 A CA -0.253 51.572 52.037 -0.353 0.000 0.757 441 A CB -0.108 18.064 19.000 -1.380 0.000 0.991 441 A HN 0.739 nan 8.150 nan 0.000 0.503 442 N N 2.590 121.064 118.700 -0.376 0.000 2.482 442 N HA 0.173 4.913 4.740 0.001 0.000 0.242 442 N C 1.241 176.558 175.510 -0.322 0.000 1.100 442 N CA 0.586 53.226 53.050 -0.682 0.000 0.946 442 N CB 0.817 38.722 38.487 -0.970 0.000 1.227 442 N HN 0.624 nan 8.380 nan 0.000 0.508 443 G N 2.719 111.468 108.800 -0.086 0.000 2.408 443 G HA2 -0.193 3.768 3.960 0.001 0.000 0.217 443 G HA3 -0.193 3.768 3.960 0.001 0.000 0.217 443 G C 1.131 176.062 174.900 0.052 0.000 1.150 443 G CA 0.440 45.535 45.100 -0.010 0.000 0.776 443 G HN 0.635 nan 8.290 nan 0.000 0.542 444 E N 0.495 120.722 120.200 0.045 0.000 2.077 444 E HA -0.116 4.234 4.350 0.001 0.000 0.193 444 E C 2.335 178.904 176.600 -0.051 0.000 0.989 444 E CA 1.060 57.478 56.400 0.029 0.000 0.800 444 E CB -0.110 29.640 29.700 0.083 0.000 0.746 444 E HN 0.555 nan 8.360 nan 0.000 0.452 445 E N 0.098 120.213 120.200 -0.142 0.000 2.216 445 E HA -0.118 4.232 4.350 0.001 0.000 0.192 445 E C 1.776 178.303 176.600 -0.123 0.000 0.988 445 E CA 0.233 56.545 56.400 -0.146 0.000 0.834 445 E CB -0.105 29.475 29.700 -0.201 0.000 0.772 445 E HN 0.162 nan 8.360 nan 0.000 0.479 446 F N 2.815 122.615 119.950 -0.249 0.000 2.161 446 F HA -0.195 4.333 4.527 0.001 0.000 0.300 446 F C 1.729 177.388 175.800 -0.236 0.000 1.089 446 F CA 1.285 59.112 58.000 -0.289 0.000 1.282 446 F CB -0.073 38.778 39.000 -0.247 0.000 1.010 446 F HN -0.065 nan 8.300 nan 0.000 0.485 447 N N 0.370 119.020 118.700 -0.083 0.000 2.364 447 N HA -0.163 4.578 4.740 0.001 0.000 0.183 447 N C 1.283 176.676 175.510 -0.195 0.000 1.022 447 N CA 1.149 54.115 53.050 -0.140 0.000 0.883 447 N CB -0.382 38.083 38.487 -0.036 0.000 0.965 447 N HN 0.568 nan 8.380 nan 0.000 0.438 448 Q N -0.935 118.749 119.800 -0.194 0.000 2.319 448 Q HA 0.249 4.590 4.340 0.001 0.000 0.202 448 Q C 0.549 176.416 176.000 -0.222 0.000 0.896 448 Q CA 0.157 55.858 55.803 -0.170 0.000 0.942 448 Q CB 0.643 29.310 28.738 -0.119 0.000 1.083 448 Q HN 0.337 nan 8.270 nan 0.000 0.510 449 G N 1.633 110.214 108.800 -0.366 0.000 2.136 449 G HA2 -0.277 3.684 3.960 0.001 0.000 0.242 449 G HA3 -0.277 3.684 3.960 0.001 0.000 0.242 449 G C -0.179 174.498 174.900 -0.373 0.000 0.989 449 G CA 0.064 44.915 45.100 -0.415 0.000 0.682 449 G HN 0.213 nan 8.290 nan 0.000 0.522 450 K N -0.830 119.359 120.400 -0.353 0.000 2.123 450 K HA 0.660 4.980 4.320 0.001 0.000 0.248 450 K C -0.832 175.554 176.600 -0.356 0.000 0.969 450 K CA -0.856 55.292 56.287 -0.231 0.000 0.882 450 K CB 1.185 33.609 32.500 -0.128 0.000 1.080 450 K HN 0.156 nan 8.250 nan 0.000 0.441 451 Y N 1.103 121.287 120.300 -0.193 0.000 2.712 451 Y HA 0.232 4.783 4.550 0.001 0.000 0.328 451 Y C -0.022 175.711 175.900 -0.278 0.000 0.995 451 Y CA -0.607 57.316 58.100 -0.295 0.000 1.283 451 Y CB 1.247 39.188 38.460 -0.865 0.000 1.092 451 Y HN 0.609 nan 8.280 nan 0.000 0.519 452 T N -1.585 112.909 114.554 -0.100 0.000 2.865 452 T HA 0.746 5.096 4.350 0.001 0.000 0.294 452 T C -1.066 173.408 174.700 -0.377 0.000 1.119 452 T CA -0.901 61.069 62.100 -0.217 0.000 1.007 452 T CB 1.716 70.517 68.868 -0.112 0.000 1.225 452 T HN 0.066 nan 8.240 nan 0.000 0.515 453 F N -0.480 119.545 119.950 0.125 0.000 2.546 453 F HA 0.585 5.112 4.527 0.001 0.000 0.320 453 F C -0.322 175.512 175.800 0.058 0.000 1.076 453 F CA -1.371 56.708 58.000 0.131 0.000 0.928 453 F CB 1.231 40.365 39.000 0.223 0.000 1.189 453 F HN 0.634 nan 8.300 nan 0.000 0.465 454 W N 1.778 123.278 121.300 0.333 0.000 2.295 454 W HA 0.365 5.026 4.660 0.001 0.000 0.335 454 W C 1.184 177.836 176.519 0.221 0.000 1.351 454 W CA 1.469 58.950 57.345 0.228 0.000 1.273 454 W CB 0.147 29.719 29.460 0.187 0.000 1.214 454 W HN 0.873 nan 8.180 nan 0.000 0.563 455 G N 1.182 110.254 108.800 0.454 0.000 2.213 455 G HA2 -0.095 3.865 3.960 0.001 0.000 0.236 455 G HA3 -0.095 3.865 3.960 0.001 0.000 0.236 455 G C 0.987 176.030 174.900 0.238 0.000 0.991 455 G CA 0.195 45.488 45.100 0.321 0.000 0.629 455 G HN 1.792 nan 8.290 nan 0.000 0.517 456 G N -0.489 108.452 108.800 0.235 0.000 2.179 456 G HA2 -0.241 3.719 3.960 0.001 0.000 0.260 456 G HA3 -0.241 3.719 3.960 0.001 0.000 0.260 456 G C 0.094 175.109 174.900 0.192 0.000 0.977 456 G CA 0.853 46.064 45.100 0.186 0.000 0.641 456 G HN 0.968 nan 8.290 nan 0.000 0.533 457 D N 1.319 121.842 120.400 0.204 0.000 2.400 457 D HA 0.461 5.102 4.640 0.001 0.000 0.238 457 D C 1.174 177.640 176.300 0.277 0.000 1.157 457 D CA 1.368 55.464 54.000 0.160 0.000 0.889 457 D CB 0.957 41.789 40.800 0.053 0.000 1.199 457 D HN 0.539 nan 8.370 nan 0.000 0.436 458 T N -1.552 113.133 114.554 0.218 0.000 2.912 458 T HA 0.341 4.692 4.350 0.001 0.000 0.288 458 T C 1.274 176.096 174.700 0.203 0.000 1.030 458 T CA -0.952 61.329 62.100 0.302 0.000 1.020 458 T CB 1.324 70.321 68.868 0.214 0.000 1.056 458 T HN 0.292 nan 8.240 nan 0.000 0.480 459 L N 1.049 122.440 121.223 0.280 0.000 2.012 459 L HA -0.093 4.247 4.340 0.001 0.000 0.210 459 L C 2.613 179.524 176.870 0.069 0.000 1.073 459 L CA 1.861 56.771 54.840 0.115 0.000 0.748 459 L CB -0.686 41.470 42.059 0.161 0.000 0.891 459 L HN 0.912 nan 8.230 nan 0.000 0.431 460 T N -0.741 113.873 114.554 0.101 0.000 2.770 460 T HA -0.086 4.265 4.350 0.001 0.000 0.263 460 T C 1.605 176.381 174.700 0.128 0.000 1.039 460 T CA 1.113 63.274 62.100 0.102 0.000 1.142 460 T CB -0.584 68.395 68.868 0.186 0.000 0.868 460 T HN 0.619 nan 8.240 nan 0.000 0.435 461 G N 1.558 110.433 108.800 0.125 0.000 2.440 461 G HA2 -0.261 3.699 3.960 0.001 0.000 0.218 461 G HA3 -0.261 3.699 3.960 0.001 0.000 0.218 461 G C 1.630 176.569 174.900 0.064 0.000 1.154 461 G CA 1.340 46.500 45.100 0.101 0.000 0.767 461 G HN 0.365 nan 8.290 nan 0.000 0.552 462 K N 0.062 120.495 120.400 0.054 0.000 2.026 462 K HA -0.090 4.231 4.320 0.001 0.000 0.208 462 K C 2.086 178.697 176.600 0.019 0.000 1.048 462 K CA 1.220 57.512 56.287 0.008 0.000 0.929 462 K CB -0.654 31.828 32.500 -0.030 0.000 0.713 462 K HN 0.497 nan 8.250 nan 0.000 0.439 463 W N 1.761 122.975 121.300 -0.144 0.000 2.355 463 W HA -0.207 4.454 4.660 0.001 0.000 0.309 463 W C 1.344 177.785 176.519 -0.129 0.000 1.206 463 W CA 1.852 59.085 57.345 -0.186 0.000 1.284 463 W CB -0.059 29.197 29.460 -0.339 0.000 1.145 463 W HN 0.233 nan 8.180 nan 0.000 0.502 464 E N 0.120 120.281 120.200 -0.065 0.000 2.085 464 E HA -0.305 4.046 4.350 0.001 0.000 0.194 464 E C 1.722 178.259 176.600 -0.105 0.000 0.994 464 E CA 1.650 58.021 56.400 -0.048 0.000 0.801 464 E CB -0.566 29.200 29.700 0.111 0.000 0.743 464 E HN 0.201 nan 8.360 nan 0.000 0.453 465 N N 0.622 119.272 118.700 -0.084 0.000 2.381 465 N HA -0.070 4.671 4.740 0.001 0.000 0.182 465 N C 0.215 175.655 175.510 -0.117 0.000 1.025 465 N CA 0.268 53.274 53.050 -0.074 0.000 0.888 465 N CB 0.024 38.483 38.487 -0.048 0.000 0.965 465 N HN 0.013 nan 8.380 nan 0.000 0.438 466 I N 1.959 122.396 120.570 -0.223 0.000 2.598 466 I HA 0.060 4.231 4.170 0.001 0.000 0.284 466 I C -1.934 174.076 176.117 -0.179 0.000 1.140 466 I CA -1.655 59.513 61.300 -0.219 0.000 1.420 466 I CB 0.556 38.318 38.000 -0.397 0.000 1.387 466 I HN 0.021 nan 8.210 nan 0.000 0.553 467 P HA -0.059 nan 4.420 nan 0.000 0.264 467 P C 0.101 177.372 177.300 -0.049 0.000 1.183 467 P CA 0.124 63.213 63.100 -0.018 0.000 0.763 467 P CB 0.475 32.206 31.700 0.051 0.000 0.807 468 D N 2.008 122.383 120.400 -0.042 0.000 2.158 468 D HA -0.187 4.453 4.640 0.001 0.000 0.197 468 D C 1.355 177.666 176.300 0.018 0.000 0.995 468 D CA 1.399 55.380 54.000 -0.033 0.000 0.846 468 D CB -0.357 40.438 40.800 -0.007 0.000 0.941 468 D HN 0.559 nan 8.370 nan 0.000 0.456 469 D N 0.381 120.811 120.400 0.050 0.000 2.263 469 D HA -0.151 4.489 4.640 0.001 0.000 0.208 469 D C 2.073 178.494 176.300 0.202 0.000 0.971 469 D CA 0.465 54.526 54.000 0.102 0.000 0.867 469 D CB -0.533 40.309 40.800 0.070 0.000 0.929 469 D HN 0.294 nan 8.370 nan 0.000 0.492 470 L N -0.328 121.003 121.223 0.180 0.000 2.416 470 L HA 0.087 4.427 4.340 0.001 0.000 0.216 470 L C 2.468 179.493 176.870 0.259 0.000 1.098 470 L CA 0.115 55.146 54.840 0.319 0.000 0.840 470 L CB -0.089 42.143 42.059 0.289 0.000 0.981 470 L HN -0.107 nan 8.230 nan 0.000 0.462 471 K N 0.705 121.125 120.400 0.032 0.000 2.113 471 K HA -0.172 4.149 4.320 0.001 0.000 0.208 471 K C -0.651 176.030 176.600 0.135 0.000 1.047 471 K CA 1.394 57.632 56.287 -0.082 0.000 0.928 471 K CB -0.911 31.437 32.500 -0.253 0.000 0.716 471 K HN 0.298 nan 8.250 nan 0.000 0.446 472 P HA -0.091 nan 4.420 nan 0.000 0.237 472 P C -0.040 177.035 177.300 -0.376 0.000 1.178 472 P CA 1.020 63.975 63.100 -0.241 0.000 0.766 472 P CB 0.105 31.480 31.700 -0.542 0.000 0.876 473 Y N -2.616 117.863 120.300 0.297 0.000 2.641 473 Y HA 0.340 4.890 4.550 0.001 0.000 0.248 473 Y C 0.518 176.659 175.900 0.401 0.000 1.170 473 Y CA -0.177 58.149 58.100 0.377 0.000 1.201 473 Y CB 0.193 38.911 38.460 0.429 0.000 1.232 473 Y HN -0.270 nan 8.280 nan 0.000 0.537 474 T N 1.090 115.895 114.554 0.418 0.000 2.881 474 T HA 0.696 5.047 4.350 0.001 0.000 0.290 474 T C -1.066 173.840 174.700 0.344 0.000 1.000 474 T CA -0.506 61.794 62.100 0.333 0.000 0.978 474 T CB 1.799 70.843 68.868 0.293 0.000 0.997 474 T HN -0.220 nan 8.240 nan 0.000 0.443 475 V N 4.587 124.625 119.914 0.207 0.000 2.709 475 V HA 0.489 4.610 4.120 0.001 0.000 0.308 475 V C -0.406 175.702 176.094 0.023 0.000 1.062 475 V CA -1.073 61.285 62.300 0.097 0.000 0.901 475 V CB 2.102 33.945 31.823 0.033 0.000 1.003 475 V HN 0.750 nan 8.190 nan 0.000 0.425 476 I N 3.921 124.460 120.570 -0.051 0.000 2.517 476 I HA 0.188 4.359 4.170 0.001 0.000 0.285 476 I C 0.398 176.441 176.117 -0.122 0.000 1.106 476 I CA 0.545 61.788 61.300 -0.096 0.000 1.402 476 I CB 0.788 38.700 38.000 -0.147 0.000 1.399 476 I HN 0.756 nan 8.210 nan 0.000 0.535 477 Q N 7.772 127.503 119.800 -0.116 0.000 2.400 477 Q HA 0.394 4.734 4.340 0.001 0.000 0.255 477 Q C -1.252 174.736 176.000 -0.019 0.000 1.008 477 Q CA -0.641 55.106 55.803 -0.094 0.000 0.841 477 Q CB 1.067 29.723 28.738 -0.137 0.000 1.220 477 Q HN 0.577 nan 8.270 nan 0.000 0.474 478 L N 3.546 124.771 121.223 0.005 0.000 2.397 478 L HA 0.328 4.669 4.340 0.001 0.000 0.271 478 L C 0.235 177.252 176.870 0.245 0.000 1.148 478 L CA -0.245 54.702 54.840 0.178 0.000 0.825 478 L CB 0.545 42.743 42.059 0.232 0.000 1.117 478 L HN 0.545 nan 8.230 nan 0.000 0.456 479 H N 4.836 123.987 119.070 0.134 0.000 2.771 479 H HA 0.289 4.846 4.556 0.001 0.000 0.361 479 H C -2.351 172.896 175.328 -0.135 0.000 1.108 479 H CA -1.841 54.137 56.048 -0.117 0.000 1.201 479 H CB 3.052 32.346 29.762 -0.780 0.000 1.681 479 H HN 0.293 nan 8.280 nan 0.000 0.534 480 P HA 0.001 nan 4.420 nan 0.000 0.245 480 P C 0.597 177.827 177.300 -0.117 0.000 1.206 480 P CA 0.346 63.280 63.100 -0.276 0.000 0.781 480 P CB 0.926 32.383 31.700 -0.405 0.000 0.994 481 D N 2.197 122.724 120.400 0.212 0.000 4.092 481 D HA -0.239 4.402 4.640 0.001 0.000 0.241 481 D C 0.334 176.704 176.300 0.117 0.000 0.686 481 D CA 2.552 56.692 54.000 0.233 0.000 0.904 481 D CB -1.313 39.694 40.800 0.344 0.000 0.399 481 D HN 0.262 nan 8.370 nan 0.000 0.335 482 D N 0.647 121.138 120.400 0.151 0.000 2.587 482 D HA 0.145 4.786 4.640 0.001 0.000 0.233 482 D C 0.543 176.854 176.300 0.020 0.000 1.213 482 D CA -0.330 53.741 54.000 0.117 0.000 0.827 482 D CB -1.062 39.861 40.800 0.205 0.000 1.006 482 D HN 0.405 nan 8.370 nan 0.000 0.490 483 L N 0.609 121.749 121.223 -0.138 0.000 2.506 483 L HA 0.114 4.454 4.340 0.001 0.000 0.281 483 L C -1.707 175.071 176.870 -0.155 0.000 1.228 483 L CA -1.240 53.427 54.840 -0.288 0.000 0.850 483 L CB -0.229 41.490 42.059 -0.565 0.000 1.110 483 L HN -0.124 nan 8.230 nan 0.000 0.496 484 P HA -0.039 nan 4.420 nan 0.000 0.264 484 P C -1.080 176.146 177.300 -0.124 0.000 1.183 484 P CA 0.237 63.294 63.100 -0.072 0.000 0.763 484 P CB 0.218 31.900 31.700 -0.030 0.000 0.807 485 K N 4.617 124.967 120.400 -0.083 0.000 2.187 485 K HA 0.221 4.542 4.320 0.001 0.000 0.242 485 K C 0.716 177.028 176.600 -0.480 0.000 1.179 485 K CA -0.258 56.008 56.287 -0.035 0.000 1.097 485 K CB -0.081 32.505 32.500 0.144 0.000 1.634 485 K HN 0.500 nan 8.250 nan 0.000 0.335 486 R N -0.907 119.026 120.500 -0.945 0.000 2.741 486 R HA 0.250 4.591 4.340 0.001 0.000 0.274 486 R C -1.623 173.780 176.300 -1.495 0.000 1.029 486 R CA -1.118 54.123 56.100 -1.432 0.000 0.880 486 R CB 0.452 30.366 30.300 -0.643 0.000 1.264 486 R HN 0.104 nan 8.270 nan 0.000 0.465 487 D N -0.785 118.760 120.400 -1.425 0.000 2.443 487 D HA 0.363 5.003 4.640 0.001 0.000 0.239 487 D C 1.155 177.238 176.300 -0.362 0.000 1.136 487 D CA 2.289 55.804 54.000 -0.809 0.000 0.879 487 D CB 0.807 41.350 40.800 -0.427 0.000 1.195 487 D HN 0.780 nan 8.370 nan 0.000 0.443 488 G N 2.269 110.952 108.800 -0.195 0.000 2.308 488 G HA2 -0.324 3.637 3.960 0.001 0.000 0.221 488 G HA3 -0.324 3.637 3.960 0.001 0.000 0.221 488 G C 1.273 176.127 174.900 -0.077 0.000 1.032 488 G CA 0.460 45.494 45.100 -0.109 0.000 0.623 488 G HN 0.883 nan 8.290 nan 0.000 0.506 489 A N 0.987 123.731 122.820 -0.126 0.000 1.865 489 A HA 0.338 4.658 4.320 0.001 0.000 0.217 489 A C 2.881 180.252 177.584 -0.356 0.000 1.191 489 A CA 3.576 55.506 52.037 -0.179 0.000 0.623 489 A CB -1.076 17.760 19.000 -0.273 0.000 0.826 489 A HN 1.872 nan 8.150 nan 0.000 0.444 490 A N -0.633 121.965 122.820 -0.370 0.000 1.930 490 A HA -0.112 4.209 4.320 0.001 0.000 0.217 490 A C 2.235 179.552 177.584 -0.445 0.000 1.175 490 A CA 1.381 53.099 52.037 -0.533 0.000 0.627 490 A CB -0.445 18.226 19.000 -0.548 0.000 0.815 490 A HN 0.555 nan 8.150 nan 0.000 0.443 491 R N -0.416 119.857 120.500 -0.379 0.000 2.073 491 R HA -0.157 4.184 4.340 0.001 0.000 0.234 491 R C 2.021 178.380 176.300 0.097 0.000 1.134 491 R CA 1.467 57.376 56.100 -0.318 0.000 0.952 491 R CB -0.470 29.546 30.300 -0.473 0.000 0.850 491 R HN 0.613 nan 8.270 nan 0.000 0.433 492 D N 0.492 120.971 120.400 0.131 0.000 2.087 492 D HA -0.222 4.419 4.640 0.001 0.000 0.192 492 D C 1.657 178.217 176.300 0.433 0.000 0.993 492 D CA 1.341 55.531 54.000 0.317 0.000 0.828 492 D CB -0.226 40.821 40.800 0.410 0.000 0.968 492 D HN 0.121 nan 8.370 nan 0.000 0.448 493 F N -0.189 119.879 119.950 0.197 0.000 2.095 493 F HA -0.250 4.277 4.527 0.001 0.000 0.298 493 F C 2.138 178.121 175.800 0.304 0.000 1.104 493 F CA 1.400 59.534 58.000 0.224 0.000 1.232 493 F CB -0.326 38.535 39.000 -0.231 0.000 0.987 493 F HN -0.013 nan 8.300 nan 0.000 0.475 494 Y N 1.004 121.518 120.300 0.356 0.000 2.200 494 Y HA -0.158 4.393 4.550 0.001 0.000 0.290 494 Y C 2.461 178.475 175.900 0.190 0.000 1.137 494 Y CA 1.422 59.703 58.100 0.301 0.000 1.163 494 Y CB -1.194 37.500 38.460 0.390 0.000 0.988 494 Y HN 0.237 nan 8.280 nan 0.000 0.518 495 E N -1.307 119.149 120.200 0.427 0.000 2.106 495 E HA -0.231 4.119 4.350 0.001 0.000 0.192 495 E C 2.181 178.836 176.600 0.092 0.000 0.984 495 E CA 0.920 57.481 56.400 0.269 0.000 0.806 495 E CB -0.287 29.619 29.700 0.345 0.000 0.750 495 E HN 0.478 nan 8.360 nan 0.000 0.458 496 H N 0.445 119.479 119.070 -0.061 0.000 2.319 496 H HA -0.117 4.439 4.556 0.001 0.000 0.299 496 H C 1.941 177.109 175.328 -0.266 0.000 1.092 496 H CA 1.417 57.291 56.048 -0.291 0.000 1.302 496 H CB 0.198 29.557 29.762 -0.672 0.000 1.373 496 H HN 0.122 nan 8.280 nan 0.000 0.497 497 M N 0.254 119.825 119.600 -0.048 0.000 2.200 497 M HA -0.085 4.395 4.480 0.001 0.000 0.265 497 M C 2.780 178.991 176.300 -0.147 0.000 1.066 497 M CA 0.658 55.929 55.300 -0.049 0.000 1.127 497 M CB -0.860 31.779 32.600 0.063 0.000 1.379 497 M HN 0.238 nan 8.290 nan 0.000 0.420 498 L N -0.150 120.928 121.223 -0.241 0.000 2.083 498 L HA -0.197 4.144 4.340 0.001 0.000 0.209 498 L C 2.611 179.199 176.870 -0.470 0.000 1.083 498 L CA 1.014 55.526 54.840 -0.546 0.000 0.752 498 L CB -0.533 40.910 42.059 -1.027 0.000 0.899 498 L HN 0.267 nan 8.230 nan 0.000 0.433 499 E N 0.019 120.065 120.200 -0.256 0.000 2.038 499 E HA -0.299 4.051 4.350 0.001 0.000 0.195 499 E C 1.993 178.521 176.600 -0.121 0.000 1.000 499 E CA 1.426 57.772 56.400 -0.090 0.000 0.803 499 E CB -0.192 29.444 29.700 -0.106 0.000 0.750 499 E HN 0.516 nan 8.360 nan 0.000 0.448 500 E N 0.503 120.594 120.200 -0.181 0.000 2.070 500 E HA -0.214 4.137 4.350 0.001 0.000 0.197 500 E C 2.008 178.568 176.600 -0.067 0.000 1.004 500 E CA 1.238 57.569 56.400 -0.115 0.000 0.805 500 E CB -0.047 29.597 29.700 -0.093 0.000 0.744 500 E HN 0.186 nan 8.360 nan 0.000 0.451 501 A N 1.125 123.869 122.820 -0.127 0.000 1.877 501 A HA -0.115 4.206 4.320 0.001 0.000 0.216 501 A C 2.404 179.924 177.584 -0.107 0.000 1.186 501 A CA 1.954 53.886 52.037 -0.174 0.000 0.620 501 A CB -0.821 18.018 19.000 -0.268 0.000 0.822 501 A HN 0.427 nan 8.150 nan 0.000 0.443 502 A N -0.794 121.986 122.820 -0.066 0.000 1.933 502 A HA -0.098 4.223 4.320 0.001 0.000 0.218 502 A C 1.817 179.427 177.584 0.042 0.000 1.175 502 A CA 1.769 53.825 52.037 0.032 0.000 0.628 502 A CB -0.213 18.892 19.000 0.175 0.000 0.814 502 A HN 0.294 nan 8.150 nan 0.000 0.444 503 K N -1.085 119.335 120.400 0.033 0.000 2.404 503 K HA 0.120 4.441 4.320 0.001 0.000 0.194 503 K C 0.025 176.656 176.600 0.051 0.000 1.023 503 K CA -0.469 55.834 56.287 0.028 0.000 1.094 503 K CB -0.780 31.721 32.500 0.001 0.000 0.841 503 K HN 0.574 nan 8.250 nan 0.000 0.523 504 Y N 1.139 121.412 120.300 -0.045 0.000 2.712 504 Y HA -0.004 4.547 4.550 0.001 0.000 0.333 504 Y C -0.168 175.737 175.900 0.008 0.000 1.225 504 Y CA -0.019 58.068 58.100 -0.021 0.000 1.499 504 Y CB 0.539 38.969 38.460 -0.049 0.000 1.288 504 Y HN -0.258 nan 8.280 nan 0.000 0.575 505 V N 7.390 126.855 119.914 -0.747 0.000 2.407 505 V HA 0.111 4.231 4.120 0.001 0.000 0.291 505 V C -0.330 175.200 176.094 -0.940 0.000 1.018 505 V CA -1.278 60.652 62.300 -0.617 0.000 0.842 505 V CB 1.191 32.849 31.823 -0.276 0.000 0.996 505 V HN 0.815 nan 8.190 nan 0.000 0.426 506 N N 8.537 126.850 118.700 -0.646 0.000 2.412 506 N HA 0.079 4.819 4.740 0.001 0.000 0.279 506 N C -1.243 174.182 175.510 -0.143 0.000 1.287 506 N CA -1.510 51.382 53.050 -0.264 0.000 0.948 506 N CB 1.180 39.681 38.487 0.022 0.000 1.255 506 N HN 0.351 nan 8.380 nan 0.000 0.485 507 P HA -0.064 nan 4.420 nan 0.000 0.242 507 P C 0.206 177.498 177.300 -0.012 0.000 1.197 507 P CA 0.848 63.917 63.100 -0.052 0.000 0.765 507 P CB 0.007 31.701 31.700 -0.011 0.000 0.936 508 K N -0.306 120.097 120.400 0.005 0.000 2.399 508 K HA 0.174 4.495 4.320 0.001 0.000 0.204 508 K C 0.912 177.519 176.600 0.010 0.000 1.023 508 K CA 0.299 56.594 56.287 0.014 0.000 1.127 508 K CB -0.125 32.392 32.500 0.028 0.000 0.856 508 K HN 0.007 nan 8.250 nan 0.000 0.514 509 T N -5.263 109.290 114.554 -0.001 0.000 3.074 509 T HA 0.213 4.563 4.350 0.001 0.000 0.258 509 T C 1.407 176.097 174.700 -0.016 0.000 0.891 509 T CA 0.528 62.628 62.100 -0.000 0.000 0.867 509 T CB 0.396 69.272 68.868 0.013 0.000 1.261 509 T HN 0.285 nan 8.240 nan 0.000 0.537 510 G N 2.232 111.009 108.800 -0.038 0.000 2.175 510 G HA2 -0.263 3.698 3.960 0.001 0.000 0.265 510 G HA3 -0.263 3.698 3.960 0.001 0.000 0.265 510 G C -0.043 174.823 174.900 -0.056 0.000 0.979 510 G CA 0.531 45.599 45.100 -0.053 0.000 0.663 510 G HN 0.717 nan 8.290 nan 0.000 0.533 511 K N 0.346 120.718 120.400 -0.046 0.000 2.205 511 K HA 0.230 4.551 4.320 0.001 0.000 0.279 511 K C 0.253 176.820 176.600 -0.056 0.000 1.027 511 K CA -0.684 55.585 56.287 -0.031 0.000 0.932 511 K CB 0.713 33.213 32.500 0.000 0.000 1.032 511 K HN 0.195 nan 8.250 nan 0.000 0.466 512 N N 2.720 121.397 118.700 -0.039 0.000 2.427 512 N HA -0.078 4.662 4.740 0.001 0.000 0.269 512 N C -1.144 174.379 175.510 0.021 0.000 1.235 512 N CA 0.555 53.587 53.050 -0.030 0.000 0.934 512 N CB 0.361 38.840 38.487 -0.013 0.000 1.121 512 N HN 0.400 nan 8.380 nan 0.000 0.480 513 E N 4.136 124.377 120.200 0.067 0.000 2.437 513 E HA 0.263 4.613 4.350 0.001 0.000 0.238 513 E C -2.414 174.299 176.600 0.188 0.000 0.969 513 E CA -1.903 54.589 56.400 0.153 0.000 0.759 513 E CB 1.137 30.975 29.700 0.230 0.000 1.283 513 E HN 0.525 nan 8.360 nan 0.000 0.416 514 P HA -0.085 nan 4.420 nan 0.000 0.260 514 P C -0.417 176.764 177.300 -0.197 0.000 1.172 514 P CA 0.583 63.670 63.100 -0.022 0.000 0.760 514 P CB 0.394 32.087 31.700 -0.012 0.000 0.773 515 I N 6.586 126.908 120.570 -0.412 0.000 2.471 515 I HA 0.130 4.300 4.170 0.001 0.000 0.286 515 I C -1.636 174.057 176.117 -0.707 0.000 1.079 515 I CA -2.078 58.673 61.300 -0.915 0.000 1.398 515 I CB 0.617 37.943 38.000 -1.124 0.000 1.403 515 I HN 0.188 nan 8.210 nan 0.000 0.530 516 P HA 0.177 nan 4.420 nan 0.000 0.275 516 P C -0.790 176.200 177.300 -0.515 0.000 1.227 516 P CA -0.055 62.641 63.100 -0.674 0.000 0.781 516 P CB 1.534 32.886 31.700 -0.579 0.000 0.906 517 V N 4.515 124.172 119.914 -0.428 0.000 2.925 517 V HA 0.459 4.579 4.120 0.001 0.000 0.311 517 V C 0.226 176.205 176.094 -0.191 0.000 1.104 517 V CA -0.698 61.429 62.300 -0.288 0.000 0.954 517 V CB 2.339 33.984 31.823 -0.297 0.000 1.022 517 V HN 0.416 nan 8.190 nan 0.000 0.427 518 I N 3.907 124.387 120.570 -0.150 0.000 2.509 518 I HA 0.508 4.679 4.170 0.001 0.000 0.293 518 I C -0.940 175.090 176.117 -0.145 0.000 1.020 518 I CA -0.510 60.732 61.300 -0.096 0.000 1.088 518 I CB 2.024 39.984 38.000 -0.068 0.000 1.267 518 I HN 0.336 nan 8.210 nan 0.000 0.430 519 L N 4.761 125.886 121.223 -0.164 0.000 2.317 519 L HA 0.445 4.785 4.340 0.001 0.000 0.281 519 L C -0.121 176.721 176.870 -0.047 0.000 1.024 519 L CA -0.642 54.028 54.840 -0.284 0.000 0.810 519 L CB 1.713 43.501 42.059 -0.452 0.000 1.240 519 L HN 0.515 nan 8.230 nan 0.000 0.427 520 T N 2.365 116.943 114.554 0.040 0.000 2.738 520 T HA 0.119 4.469 4.350 0.001 0.000 0.293 520 T C 1.059 175.780 174.700 0.035 0.000 0.913 520 T CA -0.384 61.763 62.100 0.078 0.000 1.103 520 T CB 0.721 69.558 68.868 -0.051 0.000 0.880 520 T HN 0.549 nan 8.240 nan 0.000 0.526 521 V N 1.024 120.896 119.914 -0.070 0.000 3.661 521 V HA 0.464 4.585 4.120 0.001 0.000 0.271 521 V C -0.120 175.865 176.094 -0.181 0.000 1.315 521 V CA 0.005 62.237 62.300 -0.114 0.000 1.072 521 V CB -0.630 31.045 31.823 -0.246 0.000 0.830 521 V HN 0.729 nan 8.190 nan 0.000 0.443 522 Y N -0.024 120.048 120.300 -0.381 0.000 2.358 522 Y HA 0.646 5.197 4.550 0.001 0.000 0.324 522 Y C -0.636 175.051 175.900 -0.355 0.000 1.123 522 Y CA 0.106 57.987 58.100 -0.365 0.000 1.067 522 Y CB 1.893 40.103 38.460 -0.416 0.000 1.230 522 Y HN 0.111 nan 8.280 nan 0.000 0.429 523 T N 3.661 117.902 114.554 -0.521 0.000 2.830 523 T HA 0.542 4.893 4.350 0.001 0.000 0.322 523 T C -0.606 173.834 174.700 -0.432 0.000 1.501 523 T CA 0.121 62.015 62.100 -0.343 0.000 1.036 523 T CB 1.062 69.792 68.868 -0.230 0.000 1.379 523 T HN 1.735 nan 8.240 nan 0.000 0.493 524 A N 1.057 123.668 122.820 -0.347 0.000 2.704 524 A HA 0.124 4.444 4.320 0.001 0.000 0.299 524 A C 1.773 178.977 177.584 -0.633 0.000 1.507 524 A CA 1.967 53.663 52.037 -0.569 0.000 0.776 524 A CB -2.240 16.579 19.000 -0.302 0.000 1.027 524 A HN 2.765 nan 8.150 nan 0.000 0.475 525 G N -0.841 107.566 108.800 -0.655 0.000 2.180 525 G HA2 -0.363 3.597 3.960 0.001 0.000 0.263 525 G HA3 -0.363 3.597 3.960 0.001 0.000 0.263 525 G C 0.480 174.886 174.900 -0.822 0.000 0.989 525 G CA 0.888 45.626 45.100 -0.602 0.000 0.692 525 G HN 2.081 nan 8.290 nan 0.000 0.526 526 N N -1.441 116.635 118.700 -1.040 0.000 2.696 526 N HA -0.178 4.563 4.740 0.001 0.000 0.249 526 N C 0.642 175.888 175.510 -0.439 0.000 1.090 526 N CA 0.769 53.373 53.050 -0.743 0.000 0.716 526 N CB -0.337 37.653 38.487 -0.828 0.000 1.020 526 N HN 0.455 nan 8.380 nan 0.000 0.548 527 M N 0.418 119.730 119.600 -0.480 0.000 2.238 527 M HA 0.044 4.525 4.480 0.001 0.000 0.350 527 M C -1.069 174.832 176.300 -0.665 0.000 1.321 527 M CA -1.515 53.392 55.300 -0.654 0.000 1.097 527 M CB -0.184 31.754 32.600 -1.104 0.000 1.713 527 M HN -0.032 nan 8.290 nan 0.000 0.455 528 P HA -0.127 nan 4.420 nan 0.000 0.226 528 P C 0.825 178.064 177.300 -0.101 0.000 1.153 528 P CA 1.424 64.205 63.100 -0.532 0.000 0.777 528 P CB -0.336 30.997 31.700 -0.612 0.000 0.794 529 Y N -3.720 116.452 120.300 -0.213 0.000 2.561 529 Y HA 0.070 4.621 4.550 0.001 0.000 0.291 529 Y C 1.614 177.402 175.900 -0.187 0.000 1.141 529 Y CA 0.267 58.225 58.100 -0.237 0.000 1.303 529 Y CB -1.523 36.706 38.460 -0.386 0.000 1.015 529 Y HN -0.149 nan 8.280 nan 0.000 0.547 530 Y N -0.109 120.097 120.300 -0.157 0.000 2.535 530 Y HA 0.311 4.862 4.550 0.001 0.000 0.266 530 Y C 0.572 176.450 175.900 -0.037 0.000 1.088 530 Y CA -0.157 57.908 58.100 -0.057 0.000 1.285 530 Y CB 0.586 38.968 38.460 -0.130 0.000 1.166 530 Y HN 0.032 nan 8.280 nan 0.000 0.525 531 T N -1.073 113.526 114.554 0.075 0.000 3.041 531 T HA 0.260 4.610 4.350 0.001 0.000 0.321 531 T C 0.746 175.511 174.700 0.110 0.000 1.184 531 T CA 0.037 62.157 62.100 0.033 0.000 1.050 531 T CB 0.963 69.781 68.868 -0.083 0.000 1.159 531 T HN 0.097 nan 8.240 nan 0.000 0.469 532 S N 2.834 118.601 115.700 0.111 0.000 2.465 532 S HA -0.045 4.426 4.470 0.001 0.000 0.241 532 S C 2.261 176.934 174.600 0.123 0.000 1.000 532 S CA 0.986 59.301 58.200 0.191 0.000 0.964 532 S CB -0.485 62.665 63.200 -0.084 0.000 0.763 532 S HN 0.915 nan 8.310 nan 0.000 0.512 533 A N 1.729 124.507 122.820 -0.070 0.000 2.121 533 A HA -0.130 4.191 4.320 0.001 0.000 0.218 533 A C 2.014 179.486 177.584 -0.186 0.000 1.154 533 A CA 1.272 53.218 52.037 -0.150 0.000 0.679 533 A CB -1.179 17.692 19.000 -0.214 0.000 0.795 533 A HN 0.766 nan 8.150 nan 0.000 0.458 534 H N -1.005 117.836 119.070 -0.383 0.000 2.390 534 H HA -0.169 4.388 4.556 0.001 0.000 0.298 534 H C 0.288 175.237 175.328 -0.632 0.000 1.106 534 H CA 1.464 57.091 56.048 -0.701 0.000 1.297 534 H CB -0.093 28.853 29.762 -1.360 0.000 1.375 534 H HN 0.682 nan 8.280 nan 0.000 0.509 535 W N 1.076 122.328 121.300 -0.079 0.000 2.676 535 W HA 0.292 4.952 4.660 0.001 0.000 0.430 535 W C -0.578 175.802 176.519 -0.231 0.000 0.690 535 W CA -0.248 57.031 57.345 -0.109 0.000 2.297 535 W CB -0.307 29.111 29.460 -0.069 0.000 1.361 535 W HN 0.047 nan 8.180 nan 0.000 0.800 536 L N 2.207 123.357 121.223 -0.121 0.000 2.401 536 L HA 0.181 4.522 4.340 0.001 0.000 0.263 536 L C 0.868 177.759 176.870 0.036 0.000 1.004 536 L CA -0.282 54.477 54.840 -0.135 0.000 0.881 536 L CB 0.986 42.987 42.059 -0.096 0.000 1.219 536 L HN -0.163 nan 8.230 nan 0.000 0.441 537 S N 0.088 115.845 115.700 0.096 0.000 2.614 537 S HA 0.206 4.676 4.470 0.001 0.000 0.265 537 S C 1.101 175.830 174.600 0.214 0.000 1.303 537 S CA -0.434 57.834 58.200 0.113 0.000 1.000 537 S CB 1.464 64.727 63.200 0.104 0.000 0.935 537 S HN 0.522 nan 8.310 nan 0.000 0.551 538 T N 1.614 116.236 114.554 0.114 0.000 2.833 538 T HA -0.115 4.236 4.350 0.001 0.000 0.269 538 T C 2.079 176.850 174.700 0.119 0.000 1.054 538 T CA 1.654 63.818 62.100 0.106 0.000 1.135 538 T CB -0.581 68.272 68.868 -0.026 0.000 0.869 538 T HN 0.749 nan 8.240 nan 0.000 0.466 539 S N -0.174 115.595 115.700 0.114 0.000 2.368 539 S HA -0.146 4.325 4.470 0.001 0.000 0.225 539 S C 1.772 176.466 174.600 0.156 0.000 1.030 539 S CA 1.321 59.585 58.200 0.107 0.000 0.999 539 S CB -0.541 62.714 63.200 0.092 0.000 0.844 539 S HN 0.723 nan 8.310 nan 0.000 0.459 540 W N 1.796 123.123 121.300 0.044 0.000 2.358 540 W HA -0.023 4.638 4.660 0.001 0.000 0.303 540 W C 1.772 178.325 176.519 0.056 0.000 1.208 540 W CA 1.553 58.933 57.345 0.058 0.000 1.274 540 W CB -0.421 29.082 29.460 0.073 0.000 1.138 540 W HN 0.302 nan 8.180 nan 0.000 0.515 541 I N 0.449 121.120 120.570 0.169 0.000 2.208 541 I HA -0.318 3.853 4.170 0.001 0.000 0.245 541 I C 2.254 178.296 176.117 -0.124 0.000 1.097 541 I CA 1.987 63.237 61.300 -0.084 0.000 1.363 541 I CB -0.788 37.290 38.000 0.131 0.000 1.051 541 I HN -0.031 nan 8.210 nan 0.000 0.413 542 D N 1.226 121.643 120.400 0.028 0.000 2.104 542 D HA -0.252 4.389 4.640 0.001 0.000 0.194 542 D C 2.150 178.441 176.300 -0.015 0.000 0.994 542 D CA 1.450 55.493 54.000 0.071 0.000 0.830 542 D CB -0.077 40.750 40.800 0.044 0.000 0.959 542 D HN 0.132 nan 8.370 nan 0.000 0.452 543 K N -0.723 119.613 120.400 -0.106 0.000 2.103 543 K HA -0.137 4.184 4.320 0.001 0.000 0.207 543 K C 2.028 178.489 176.600 -0.232 0.000 1.048 543 K CA 0.983 57.178 56.287 -0.154 0.000 0.930 543 K CB -0.004 32.403 32.500 -0.154 0.000 0.716 543 K HN 0.125 nan 8.250 nan 0.000 0.444 544 M N -0.431 118.927 119.600 -0.405 0.000 2.156 544 M HA -0.126 4.355 4.480 0.001 0.000 0.264 544 M C 1.935 178.172 176.300 -0.105 0.000 1.067 544 M CA 1.495 56.593 55.300 -0.337 0.000 1.131 544 M CB -1.051 31.107 32.600 -0.738 0.000 1.368 544 M HN 0.185 nan 8.290 nan 0.000 0.416 545 Y N 0.933 121.155 120.300 -0.130 0.000 2.181 545 Y HA -0.261 4.290 4.550 0.001 0.000 0.288 545 Y C 2.660 178.516 175.900 -0.074 0.000 1.146 545 Y CA 1.178 59.238 58.100 -0.066 0.000 1.164 545 Y CB -0.132 38.284 38.460 -0.073 0.000 0.982 545 Y HN 0.374 nan 8.280 nan 0.000 0.515 546 Q N -0.148 119.688 119.800 0.059 0.000 2.172 546 Q HA -0.197 4.144 4.340 0.001 0.000 0.200 546 Q C 2.089 178.023 176.000 -0.109 0.000 0.964 546 Q CA 1.270 57.056 55.803 -0.029 0.000 0.855 546 Q CB -0.039 28.670 28.738 -0.049 0.000 0.918 546 Q HN 0.364 nan 8.270 nan 0.000 0.444 547 K N -0.312 119.964 120.400 -0.206 0.000 2.186 547 K HA -0.043 4.277 4.320 0.001 0.000 0.202 547 K C -0.431 175.810 176.600 -0.599 0.000 1.052 547 K CA 0.577 56.591 56.287 -0.455 0.000 0.965 547 K CB 0.456 32.563 32.500 -0.655 0.000 0.746 547 K HN 0.027 nan 8.250 nan 0.000 0.457 548 Y N 0.261 120.527 120.300 -0.056 0.000 2.555 548 Y HA 0.289 4.840 4.550 0.001 0.000 0.326 548 Y C -2.149 173.754 175.900 0.006 0.000 0.984 548 Y CA -2.721 55.350 58.100 -0.049 0.000 1.298 548 Y CB 1.754 40.156 38.460 -0.098 0.000 1.094 548 Y HN 0.066 nan 8.280 nan 0.000 0.500 549 P HA -0.139 nan 4.420 nan 0.000 0.222 549 P C 1.025 178.457 177.300 0.221 0.000 1.147 549 P CA 1.307 64.490 63.100 0.138 0.000 0.790 549 P CB 0.345 32.093 31.700 0.080 0.000 0.780 550 N N -0.235 118.554 118.700 0.148 0.000 2.515 550 N HA -0.071 4.670 4.740 0.001 0.000 0.185 550 N C 0.407 175.840 175.510 -0.128 0.000 1.109 550 N CA 0.219 53.258 53.050 -0.018 0.000 0.903 550 N CB -0.645 37.769 38.487 -0.121 0.000 0.969 550 N HN 0.146 nan 8.380 nan 0.000 0.450 551 L N 2.169 123.434 121.223 0.070 0.000 2.342 551 L HA 0.143 4.484 4.340 0.001 0.000 0.285 551 L C 0.326 177.403 176.870 0.345 0.000 1.095 551 L CA 0.060 54.925 54.840 0.042 0.000 0.843 551 L CB 0.239 42.261 42.059 -0.062 0.000 1.201 551 L HN -0.007 nan 8.230 nan 0.000 0.445 552 H N 3.461 122.604 119.070 0.122 0.000 2.648 552 H HA 0.572 5.128 4.556 0.001 0.000 0.265 552 H C 0.735 176.266 175.328 0.340 0.000 0.961 552 H CA 0.014 56.196 56.048 0.223 0.000 1.185 552 H CB 0.694 30.557 29.762 0.168 0.000 1.449 552 H HN 0.660 nan 8.280 nan 0.000 0.523 553 G N -0.126 108.909 108.800 0.391 0.000 2.506 553 G HA2 0.474 4.434 3.960 0.001 0.000 0.292 553 G HA3 0.474 4.434 3.960 0.001 0.000 0.292 553 G C -1.423 173.595 174.900 0.196 0.000 1.425 553 G CA -0.546 44.786 45.100 0.387 0.000 0.788 553 G HN 0.172 nan 8.290 nan 0.000 0.490 554 I N -2.660 118.070 120.570 0.266 0.000 2.828 554 I HA 0.912 5.083 4.170 0.001 0.000 0.302 554 I C -1.847 174.465 176.117 0.326 0.000 1.101 554 I CA -1.279 60.123 61.300 0.171 0.000 1.031 554 I CB 2.705 40.740 38.000 0.059 0.000 1.231 554 I HN 0.430 nan 8.210 nan 0.000 0.427 555 F N 3.118 123.075 119.950 0.012 0.000 2.547 555 F HA 0.710 5.237 4.527 0.001 0.000 0.316 555 F C -0.619 175.148 175.800 -0.055 0.000 1.121 555 F CA -0.677 57.316 58.000 -0.011 0.000 0.911 555 F CB 2.103 41.098 39.000 -0.008 0.000 1.179 555 F HN 0.650 nan 8.300 nan 0.000 0.443 556 S N 3.854 119.298 115.700 -0.427 0.000 2.503 556 S HA 0.780 5.251 4.470 0.001 0.000 0.301 556 S C -0.964 173.204 174.600 -0.720 0.000 1.087 556 S CA -0.203 57.670 58.200 -0.546 0.000 1.042 556 S CB 1.337 64.155 63.200 -0.636 0.000 1.043 556 S HN 0.947 nan 8.310 nan 0.000 0.489 557 T N 2.377 116.651 114.554 -0.467 0.000 3.041 557 T HA 0.575 4.926 4.350 0.001 0.000 0.321 557 T C -0.622 174.113 174.700 0.058 0.000 1.184 557 T CA 0.545 62.488 62.100 -0.262 0.000 1.050 557 T CB 0.754 69.295 68.868 -0.545 0.000 1.159 557 T HN 2.145 nan 8.240 nan 0.000 0.469 558 A N 4.035 127.021 122.820 0.276 0.000 2.648 558 A HA -0.106 4.215 4.320 0.001 0.000 0.297 558 A C 0.732 178.343 177.584 0.046 0.000 1.467 558 A CA 0.799 53.003 52.037 0.280 0.000 0.731 558 A CB -2.139 17.035 19.000 0.290 0.000 1.085 558 A HN 0.848 nan 8.150 nan 0.000 0.437 559 N N -0.747 118.029 118.700 0.127 0.000 2.205 559 N HA 0.087 4.827 4.740 0.001 0.000 0.201 559 N C 1.329 176.876 175.510 0.062 0.000 1.128 559 N CA 0.958 53.961 53.050 -0.078 0.000 0.867 559 N CB -0.065 38.486 38.487 0.106 0.000 0.996 559 N HN 0.958 nan 8.380 nan 0.000 0.503 560 Y N 0.491 121.056 120.300 0.442 0.000 2.256 560 Y HA -0.113 4.437 4.550 0.001 0.000 0.288 560 Y C 2.094 178.206 175.900 0.352 0.000 1.155 560 Y CA 0.673 59.036 58.100 0.438 0.000 1.203 560 Y CB -1.188 37.470 38.460 0.329 0.000 0.980 560 Y HN 0.151 nan 8.280 nan 0.000 0.530 561 W N 0.379 121.624 121.300 -0.092 0.000 3.256 561 W HA 0.401 5.062 4.660 0.001 0.000 0.269 561 W C -0.311 176.258 176.519 0.084 0.000 1.310 561 W CA -0.364 57.011 57.345 0.050 0.000 1.673 561 W CB -0.258 29.137 29.460 -0.108 0.000 1.115 561 W HN 0.204 nan 8.180 nan 0.000 0.686 562 I N 0.490 120.820 120.570 -0.401 0.000 2.834 562 I HA 0.249 4.419 4.170 0.001 0.000 0.276 562 I C -1.334 174.709 176.117 -0.123 0.000 1.522 562 I CA -1.709 59.372 61.300 -0.364 0.000 0.858 562 I CB -0.072 37.364 38.000 -0.940 0.000 1.585 562 I HN 0.135 nan 8.210 nan 0.000 0.574 563 W N 7.466 128.711 121.300 -0.092 0.000 2.290 563 W HA 0.615 5.276 4.660 0.001 0.000 0.408 563 W C 0.151 176.674 176.519 0.008 0.000 0.966 563 W CA -0.495 56.847 57.345 -0.005 0.000 1.579 563 W CB 0.787 30.284 29.460 0.061 0.000 1.662 563 W HN 0.616 nan 8.180 nan 0.000 0.341 564 A N 4.205 126.896 122.820 -0.216 0.000 2.445 564 A HA -0.034 4.286 4.320 0.001 0.000 0.242 564 A C 1.320 178.817 177.584 -0.145 0.000 1.075 564 A CA 0.015 51.965 52.037 -0.146 0.000 0.777 564 A CB 0.427 19.334 19.000 -0.156 0.000 1.013 564 A HN 0.715 nan 8.150 nan 0.000 0.493 565 N N 1.041 119.711 118.700 -0.050 0.000 2.132 565 N HA -0.169 4.572 4.740 0.001 0.000 0.191 565 N C 0.495 175.973 175.510 -0.054 0.000 1.015 565 N CA 1.929 54.967 53.050 -0.020 0.000 0.864 565 N CB -0.076 38.410 38.487 -0.002 0.000 1.006 565 N HN 0.805 nan 8.380 nan 0.000 0.430 566 D N -0.820 119.520 120.400 -0.100 0.000 2.559 566 D HA 0.078 4.718 4.640 0.001 0.000 0.234 566 D C 1.412 177.580 176.300 -0.220 0.000 1.226 566 D CA -0.298 53.628 54.000 -0.124 0.000 0.830 566 D CB -0.611 40.121 40.800 -0.114 0.000 1.028 566 D HN 0.253 nan 8.370 nan 0.000 0.492 567 I N 0.487 120.872 120.570 -0.308 0.000 2.226 567 I HA -0.306 3.865 4.170 0.001 0.000 0.245 567 I C 1.450 177.263 176.117 -0.507 0.000 1.100 567 I CA 1.561 62.541 61.300 -0.532 0.000 1.374 567 I CB 0.417 37.912 38.000 -0.842 0.000 1.057 567 I HN -0.177 nan 8.210 nan 0.000 0.413 568 E N 0.827 120.877 120.200 -0.251 0.000 2.072 568 E HA -0.168 4.183 4.350 0.001 0.000 0.190 568 E C 1.924 178.475 176.600 -0.081 0.000 0.982 568 E CA 1.094 57.455 56.400 -0.066 0.000 0.803 568 E CB -0.294 29.485 29.700 0.132 0.000 0.755 568 E HN 0.447 nan 8.360 nan 0.000 0.453 569 N N 0.631 119.264 118.700 -0.112 0.000 2.104 569 N HA -0.142 4.598 4.740 0.001 0.000 0.190 569 N C 1.441 176.790 175.510 -0.268 0.000 1.024 569 N CA 0.972 53.945 53.050 -0.129 0.000 0.853 569 N CB -0.065 38.351 38.487 -0.119 0.000 1.008 569 N HN 0.028 nan 8.380 nan 0.000 0.424 570 K N 0.948 121.099 120.400 -0.415 0.000 2.097 570 K HA 0.083 4.403 4.320 0.001 0.000 0.205 570 K C 1.930 177.966 176.600 -0.940 0.000 1.050 570 K CA 0.787 56.652 56.287 -0.703 0.000 0.938 570 K CB -0.466 31.619 32.500 -0.691 0.000 0.718 570 K HN 0.156 nan 8.250 nan 0.000 0.442 571 A N 1.523 123.916 122.820 -0.712 0.000 1.933 571 A HA -0.084 4.236 4.320 0.001 0.000 0.218 571 A C 2.419 179.872 177.584 -0.218 0.000 1.175 571 A CA 1.974 53.634 52.037 -0.628 0.000 0.628 571 A CB -0.565 17.946 19.000 -0.816 0.000 0.814 571 A HN 0.287 nan 8.150 nan 0.000 0.444 572 A N 0.125 122.957 122.820 0.021 0.000 1.908 572 A HA -0.213 4.108 4.320 0.001 0.000 0.218 572 A C 1.764 179.298 177.584 -0.084 0.000 1.181 572 A CA 1.989 54.109 52.037 0.139 0.000 0.627 572 A CB -0.585 18.488 19.000 0.121 0.000 0.818 572 A HN 0.461 nan 8.150 nan 0.000 0.445 573 D N -1.425 118.793 120.400 -0.303 0.000 2.144 573 D HA -0.106 4.534 4.640 0.001 0.000 0.200 573 D C 1.662 177.739 176.300 -0.372 0.000 0.978 573 D CA 1.183 54.978 54.000 -0.341 0.000 0.833 573 D CB -0.384 40.149 40.800 -0.445 0.000 0.961 573 D HN 0.570 nan 8.370 nan 0.000 0.470 574 Y N 0.514 120.543 120.300 -0.453 0.000 2.200 574 Y HA -0.071 4.479 4.550 0.001 0.000 0.290 574 Y C 2.183 177.782 175.900 -0.502 0.000 1.137 574 Y CA 0.207 57.931 58.100 -0.627 0.000 1.163 574 Y CB -0.816 36.845 38.460 -1.333 0.000 0.988 574 Y HN -0.033 nan 8.280 nan 0.000 0.518 575 L N 0.693 121.752 121.223 -0.273 0.000 2.027 575 L HA -0.138 4.203 4.340 0.001 0.000 0.206 575 L C 2.325 179.116 176.870 -0.132 0.000 1.074 575 L CA 1.867 56.750 54.840 0.071 0.000 0.745 575 L CB -0.850 41.444 42.059 0.391 0.000 0.898 575 L HN 0.117 nan 8.230 nan 0.000 0.433 576 K N -1.205 119.066 120.400 -0.215 0.000 2.032 576 K HA -0.188 4.133 4.320 0.001 0.000 0.209 576 K C 2.102 178.467 176.600 -0.391 0.000 1.048 576 K CA 1.869 57.856 56.287 -0.500 0.000 0.927 576 K CB -0.367 31.989 32.500 -0.239 0.000 0.712 576 K HN 0.281 nan 8.250 nan 0.000 0.441 577 V N 0.409 120.203 119.914 -0.199 0.000 2.515 577 V HA -0.188 3.933 4.120 0.001 0.000 0.250 577 V C 1.787 177.774 176.094 -0.178 0.000 1.058 577 V CA 2.086 64.317 62.300 -0.114 0.000 1.064 577 V CB -0.083 31.760 31.823 0.034 0.000 0.675 577 V HN 0.383 nan 8.190 nan 0.000 0.461 578 S N 0.413 116.031 115.700 -0.136 0.000 2.345 578 S HA -0.072 4.399 4.470 0.001 0.000 0.220 578 S C 2.181 176.530 174.600 -0.418 0.000 1.031 578 S CA 1.361 59.411 58.200 -0.249 0.000 0.996 578 S CB -0.562 62.684 63.200 0.078 0.000 0.882 578 S HN 0.789 nan 8.310 nan 0.000 0.445 579 A N 1.843 124.435 122.820 -0.380 0.000 1.940 579 A HA -0.181 4.140 4.320 0.001 0.000 0.219 579 A C 1.992 179.339 177.584 -0.394 0.000 1.176 579 A CA 1.938 53.724 52.037 -0.419 0.000 0.631 579 A CB -0.573 18.093 19.000 -0.556 0.000 0.814 579 A HN 0.508 nan 8.150 nan 0.000 0.446 580 K N -0.510 119.651 120.400 -0.398 0.000 2.209 580 K HA -0.137 4.184 4.320 0.001 0.000 0.204 580 K C 0.749 177.171 176.600 -0.296 0.000 1.048 580 K CA 1.769 57.880 56.287 -0.293 0.000 0.940 580 K CB -0.184 32.174 32.500 -0.237 0.000 0.729 580 K HN 0.565 nan 8.250 nan 0.000 0.451 581 N N -1.181 117.259 118.700 -0.433 0.000 2.187 581 N HA 0.139 4.880 4.740 0.001 0.000 0.212 581 N C 0.055 175.296 175.510 -0.447 0.000 1.152 581 N CA 0.444 53.213 53.050 -0.468 0.000 0.872 581 N CB 1.525 39.560 38.487 -0.753 0.000 1.025 581 N HN 0.331 nan 8.380 nan 0.000 0.514 582 G N -0.043 108.505 108.800 -0.420 0.000 2.155 582 G HA2 -0.239 3.721 3.960 0.001 0.000 0.257 582 G HA3 -0.239 3.721 3.960 0.001 0.000 0.257 582 G C 0.461 175.097 174.900 -0.441 0.000 0.983 582 G CA 0.175 45.042 45.100 -0.388 0.000 0.676 582 G HN 0.511 nan 8.290 nan 0.000 0.528 583 G N -1.440 107.054 108.800 -0.509 0.000 2.535 583 G HA2 0.617 4.578 3.960 0.001 0.000 0.303 583 G HA3 0.617 4.578 3.960 0.001 0.000 0.303 583 G C -0.645 174.080 174.900 -0.292 0.000 1.237 583 G CA -1.005 43.937 45.100 -0.264 0.000 0.986 583 G HN 0.266 nan 8.290 nan 0.000 0.494 584 Y N -1.162 119.233 120.300 0.157 0.000 2.409 584 Y HA 0.467 5.018 4.550 0.001 0.000 0.339 584 Y C -0.453 175.649 175.900 0.337 0.000 1.033 584 Y CA -0.678 57.545 58.100 0.205 0.000 1.094 584 Y CB 2.140 40.716 38.460 0.192 0.000 1.210 584 Y HN 0.396 nan 8.280 nan 0.000 0.456 585 F N 4.775 124.918 119.950 0.321 0.000 2.405 585 F HA 0.617 5.145 4.527 0.001 0.000 0.355 585 F C -1.028 174.966 175.800 0.322 0.000 1.121 585 F CA -1.783 56.386 58.000 0.281 0.000 1.112 585 F CB 0.149 39.301 39.000 0.254 0.000 1.126 585 F HN 0.301 nan 8.300 nan 0.000 0.481 586 I N 6.509 127.055 120.570 -0.040 0.000 2.378 586 I HA 0.238 4.409 4.170 0.001 0.000 0.291 586 I C -1.444 174.556 176.117 -0.196 0.000 0.992 586 I CA -0.556 60.734 61.300 -0.016 0.000 1.154 586 I CB 1.408 39.530 38.000 0.203 0.000 1.315 586 I HN 0.591 nan 8.210 nan 0.000 0.448 587 W N 7.146 128.121 121.300 -0.542 0.000 2.554 587 W HA 0.736 5.396 4.660 0.001 0.000 0.324 587 W C -1.148 175.291 176.519 -0.133 0.000 1.018 587 W CA -1.644 55.334 57.345 -0.611 0.000 1.243 587 W CB 1.664 30.442 29.460 -1.136 0.000 1.345 587 W HN 0.478 nan 8.180 nan 0.000 0.441 588 A N 4.513 127.580 122.820 0.412 0.000 2.260 588 A HA 0.676 4.997 4.320 0.001 0.000 0.314 588 A C -0.935 176.916 177.584 0.445 0.000 1.257 588 A CA -0.183 52.108 52.037 0.423 0.000 0.871 588 A CB 1.053 20.334 19.000 0.467 0.000 1.166 588 A HN 0.494 nan 8.150 nan 0.000 0.522 589 E N 0.909 121.354 120.200 0.409 0.000 2.392 589 E HA 0.550 4.901 4.350 0.001 0.000 0.279 589 E C -1.306 175.497 176.600 0.338 0.000 0.964 589 E CA -0.389 56.259 56.400 0.413 0.000 0.777 589 E CB 1.671 31.485 29.700 0.189 0.000 1.249 589 E HN 0.568 nan 8.360 nan 0.000 0.449 590 Q N 1.175 121.161 119.800 0.310 0.000 2.345 590 Q HA 0.472 4.813 4.340 0.001 0.000 0.268 590 Q C -0.663 175.359 176.000 0.037 0.000 1.054 590 Q CA -0.516 55.340 55.803 0.089 0.000 0.835 590 Q CB 1.440 30.082 28.738 -0.160 0.000 1.339 590 Q HN 0.433 nan 8.270 nan 0.000 0.447 591 N N 1.932 120.634 118.700 0.003 0.000 2.482 591 N HA 0.027 4.768 4.740 0.001 0.000 0.220 591 N C -0.951 174.538 175.510 -0.034 0.000 1.255 591 N CA 0.097 53.151 53.050 0.008 0.000 0.850 591 N CB -0.283 38.250 38.487 0.076 0.000 1.127 591 N HN 0.423 nan 8.380 nan 0.000 0.475 592 N N -0.066 118.599 118.700 -0.059 0.000 2.492 592 N HA 0.222 4.962 4.740 0.001 0.000 0.260 592 N C 0.916 176.441 175.510 0.026 0.000 1.215 592 N CA 1.008 54.047 53.050 -0.017 0.000 0.923 592 N CB 0.522 39.014 38.487 0.008 0.000 1.092 592 N HN 0.275 nan 8.380 nan 0.000 0.448 593 G N 1.380 110.189 108.800 0.015 0.000 2.341 593 G HA2 -0.335 3.626 3.960 0.001 0.000 0.292 593 G HA3 -0.335 3.626 3.960 0.001 0.000 0.292 593 G C 0.264 175.091 174.900 -0.120 0.000 1.021 593 G CA 0.791 45.880 45.100 -0.019 0.000 0.905 593 G HN 0.793 nan 8.290 nan 0.000 0.508 594 S N -3.111 112.529 115.700 -0.100 0.000 3.476 594 S HA -0.264 4.206 4.470 0.001 0.000 0.309 594 S C 2.225 176.658 174.600 -0.278 0.000 1.222 594 S CA 1.504 59.626 58.200 -0.130 0.000 0.922 594 S CB -1.656 61.473 63.200 -0.119 0.000 1.023 594 S HN 2.266 nan 8.310 nan 0.000 0.591 595 A N 1.127 123.737 122.820 -0.351 0.000 1.908 595 A HA -0.103 4.217 4.320 0.001 0.000 0.218 595 A C 1.942 179.263 177.584 -0.437 0.000 1.181 595 A CA 1.796 53.396 52.037 -0.728 0.000 0.627 595 A CB -0.369 18.381 19.000 -0.416 0.000 0.818 595 A HN 0.570 nan 8.150 nan 0.000 0.445 596 I N 0.085 120.545 120.570 -0.184 0.000 2.353 596 I HA -0.177 3.993 4.170 0.001 0.000 0.248 596 I C 2.229 178.284 176.117 -0.104 0.000 1.119 596 I CA 1.410 62.623 61.300 -0.145 0.000 1.417 596 I CB -1.795 36.102 38.000 -0.172 0.000 1.078 596 I HN 0.471 nan 8.210 nan 0.000 0.421 597 E N 1.256 121.348 120.200 -0.180 0.000 2.077 597 E HA -0.209 4.141 4.350 0.001 0.000 0.193 597 E C 2.131 178.724 176.600 -0.011 0.000 0.989 597 E CA 1.184 57.501 56.400 -0.139 0.000 0.800 597 E CB -0.155 29.461 29.700 -0.139 0.000 0.746 597 E HN 0.473 nan 8.360 nan 0.000 0.452 598 K N 0.742 121.097 120.400 -0.077 0.000 2.057 598 K HA -0.106 4.214 4.320 0.001 0.000 0.207 598 K C 2.303 179.067 176.600 0.275 0.000 1.049 598 K CA 1.053 57.362 56.287 0.037 0.000 0.931 598 K CB -0.228 32.164 32.500 -0.179 0.000 0.714 598 K HN 0.079 nan 8.250 nan 0.000 0.440 599 A N 0.792 123.802 122.820 0.316 0.000 1.986 599 A HA -0.164 4.157 4.320 0.001 0.000 0.220 599 A C 1.602 179.305 177.584 0.198 0.000 1.171 599 A CA 1.462 53.724 52.037 0.375 0.000 0.640 599 A CB -0.572 18.485 19.000 0.096 0.000 0.811 599 A HN 0.263 nan 8.150 nan 0.000 0.451 600 F N -1.367 118.757 119.950 0.289 0.000 2.693 600 F HA 0.398 4.926 4.527 0.001 0.000 0.303 600 F C 1.670 177.557 175.800 0.146 0.000 1.097 600 F CA 0.680 58.815 58.000 0.225 0.000 1.330 600 F CB 0.537 39.566 39.000 0.048 0.000 1.067 600 F HN 0.359 nan 8.300 nan 0.000 0.565 601 G N 0.109 109.066 108.800 0.261 0.000 2.175 601 G HA2 -0.274 3.687 3.960 0.001 0.000 0.182 601 G HA3 -0.274 3.687 3.960 0.001 0.000 0.182 601 G C 1.272 176.250 174.900 0.130 0.000 1.003 601 G CA 0.260 45.474 45.100 0.190 0.000 0.666 601 G HN 0.313 nan 8.290 nan 0.000 0.506 602 K N 0.302 120.764 120.400 0.102 0.000 2.059 602 K HA -0.166 4.155 4.320 0.001 0.000 0.212 602 K C 1.543 178.173 176.600 0.051 0.000 1.050 602 K CA 1.879 58.194 56.287 0.045 0.000 0.927 602 K CB -0.152 32.349 32.500 0.001 0.000 0.714 602 K HN 0.317 nan 8.250 nan 0.000 0.447 603 N N -0.697 118.046 118.700 0.072 0.000 2.313 603 N HA 0.094 4.835 4.740 0.001 0.000 0.207 603 N C 0.417 175.978 175.510 0.085 0.000 1.141 603 N CA 0.882 53.976 53.050 0.072 0.000 0.830 603 N CB 1.132 39.666 38.487 0.079 0.000 1.008 603 N HN 0.536 nan 8.380 nan 0.000 0.481 604 G N 0.216 109.071 108.800 0.091 0.000 2.195 604 G HA2 -0.260 3.701 3.960 0.001 0.000 0.224 604 G HA3 -0.260 3.701 3.960 0.001 0.000 0.224 604 G C 0.071 175.031 174.900 0.099 0.000 0.990 604 G CA -0.345 44.806 45.100 0.085 0.000 0.639 604 G HN 0.251 nan 8.290 nan 0.000 0.514 605 K N 1.267 121.745 120.400 0.129 0.000 2.231 605 K HA 0.587 4.907 4.320 0.001 0.000 0.275 605 K C 1.459 178.152 176.600 0.155 0.000 1.105 605 K CA -0.203 56.164 56.287 0.133 0.000 0.931 605 K CB 0.337 32.931 32.500 0.156 0.000 1.296 605 K HN 0.522 nan 8.250 nan 0.000 0.446 606 I N -0.776 119.871 120.570 0.129 0.000 3.928 606 I HA 0.234 4.405 4.170 0.001 0.000 0.335 606 I C 1.327 177.530 176.117 0.144 0.000 1.325 606 I CA -0.036 61.350 61.300 0.143 0.000 1.107 606 I CB 0.579 38.648 38.000 0.114 0.000 1.014 606 I HN 0.357 nan 8.210 nan 0.000 0.400 607 A N 1.848 124.749 122.820 0.136 0.000 1.908 607 A HA -0.218 4.102 4.320 0.001 0.000 0.218 607 A C 2.093 179.786 177.584 0.182 0.000 1.181 607 A CA 1.740 53.852 52.037 0.124 0.000 0.627 607 A CB -0.873 18.177 19.000 0.084 0.000 0.818 607 A HN 0.600 nan 8.150 nan 0.000 0.445 608 F N 0.320 120.315 119.950 0.075 0.000 2.206 608 F HA -0.086 4.442 4.527 0.001 0.000 0.298 608 F C 2.418 178.304 175.800 0.142 0.000 1.090 608 F CA 1.789 59.848 58.000 0.098 0.000 1.323 608 F CB -0.468 38.591 39.000 0.098 0.000 1.028 608 F HN 0.397 nan 8.300 nan 0.000 0.492 609 Q N 0.679 120.551 119.800 0.121 0.000 2.077 609 Q HA -0.274 4.066 4.340 0.001 0.000 0.206 609 Q C 2.138 178.203 176.000 0.108 0.000 0.989 609 Q CA 2.232 58.143 55.803 0.181 0.000 0.853 609 Q CB -0.167 28.724 28.738 0.256 0.000 0.907 609 Q HN 0.426 nan 8.270 nan 0.000 0.418 610 K N -0.298 120.152 120.400 0.084 0.000 2.097 610 K HA -0.092 4.228 4.320 0.001 0.000 0.205 610 K C 2.317 178.923 176.600 0.010 0.000 1.050 610 K CA 1.178 57.495 56.287 0.050 0.000 0.938 610 K CB -0.167 32.362 32.500 0.049 0.000 0.718 610 K HN 0.085 nan 8.250 nan 0.000 0.442 611 S N 0.623 116.335 115.700 0.021 0.000 2.368 611 S HA -0.096 4.375 4.470 0.001 0.000 0.224 611 S C 2.006 176.635 174.600 0.049 0.000 1.029 611 S CA 0.890 59.133 58.200 0.071 0.000 0.988 611 S CB -0.097 63.206 63.200 0.172 0.000 0.838 611 S HN 0.057 nan 8.310 nan 0.000 0.462 612 V N 2.443 122.334 119.914 -0.038 0.000 2.343 612 V HA -0.155 3.966 4.120 0.001 0.000 0.247 612 V C 2.230 178.455 176.094 0.219 0.000 1.051 612 V CA 2.072 64.444 62.300 0.119 0.000 1.036 612 V CB -0.822 31.081 31.823 0.133 0.000 0.654 612 V HN 0.461 nan 8.190 nan 0.000 0.451 613 D N 0.154 120.626 120.400 0.120 0.000 2.149 613 D HA -0.202 4.439 4.640 0.001 0.000 0.194 613 D C 2.233 178.580 176.300 0.078 0.000 1.001 613 D CA 1.547 55.595 54.000 0.080 0.000 0.849 613 D CB -0.128 40.689 40.800 0.028 0.000 0.939 613 D HN 0.482 nan 8.370 nan 0.000 0.449 614 K N -0.908 119.427 120.400 -0.109 0.000 2.128 614 K HA -0.031 4.289 4.320 0.001 0.000 0.202 614 K C 1.007 177.434 176.600 -0.287 0.000 1.050 614 K CA 0.626 56.686 56.287 -0.378 0.000 0.966 614 K CB 0.176 32.063 32.500 -1.021 0.000 0.759 614 K HN 0.196 nan 8.250 nan 0.000 0.454 615 Y N 0.002 120.375 120.300 0.123 0.000 2.660 615 Y HA 0.055 4.605 4.550 0.001 0.000 0.254 615 Y C 1.265 177.211 175.900 0.077 0.000 1.176 615 Y CA -1.483 56.639 58.100 0.036 0.000 1.195 615 Y CB -0.460 38.025 38.460 0.043 0.000 1.190 615 Y HN 0.244 nan 8.280 nan 0.000 0.535 616 W N 0.976 122.406 121.300 0.216 0.000 2.341 616 W HA -0.188 4.473 4.660 0.001 0.000 0.283 616 W C 0.732 177.442 176.519 0.319 0.000 1.215 616 W CA 1.080 58.591 57.345 0.276 0.000 1.211 616 W CB -0.667 28.929 29.460 0.226 0.000 1.131 616 W HN 0.112 nan 8.180 nan 0.000 0.552 617 K N 0.724 120.752 120.400 -0.620 0.000 2.442 617 K HA -0.085 4.236 4.320 0.001 0.000 0.198 617 K C 1.169 177.551 176.600 -0.363 0.000 1.044 617 K CA 1.061 56.948 56.287 -0.667 0.000 0.948 617 K CB -0.250 31.706 32.500 -0.905 0.000 0.762 617 K HN 0.293 nan 8.250 nan 0.000 0.472 618 N N 0.588 119.233 118.700 -0.092 0.000 2.187 618 N HA 0.022 4.763 4.740 0.001 0.000 0.212 618 N C -0.678 175.023 175.510 0.317 0.000 1.152 618 N CA -0.078 52.920 53.050 -0.086 0.000 0.872 618 N CB 0.614 38.978 38.487 -0.206 0.000 1.025 618 N HN 0.014 nan 8.380 nan 0.000 0.514 619 L N 1.984 123.492 121.223 0.476 0.000 2.295 619 L HA 0.471 4.811 4.340 0.001 0.000 0.285 619 L C -0.862 176.360 176.870 0.588 0.000 1.035 619 L CA -0.390 54.791 54.840 0.568 0.000 0.806 619 L CB 0.889 43.335 42.059 0.645 0.000 1.214 619 L HN -0.115 nan 8.230 nan 0.000 0.426 620 I N 5.704 126.530 120.570 0.427 0.000 2.406 620 I HA 0.312 4.483 4.170 0.001 0.000 0.290 620 I C -0.779 175.519 176.117 0.302 0.000 0.999 620 I CA -0.273 61.240 61.300 0.354 0.000 1.124 620 I CB 1.195 39.316 38.000 0.202 0.000 1.289 620 I HN 0.534 nan 8.210 nan 0.000 0.441 621 F N 6.506 126.660 119.950 0.340 0.000 2.482 621 F HA 0.609 5.137 4.527 0.001 0.000 0.331 621 F C -0.181 175.778 175.800 0.264 0.000 1.115 621 F CA -0.622 57.564 58.000 0.310 0.000 0.955 621 F CB 1.678 40.901 39.000 0.371 0.000 1.136 621 F HN 0.287 nan 8.300 nan 0.000 0.452 622 M N 5.727 125.674 119.600 0.578 0.000 2.530 622 M HA 0.368 4.849 4.480 0.001 0.000 0.307 622 M C -0.827 175.676 176.300 0.338 0.000 1.161 622 M CA -1.058 54.424 55.300 0.303 0.000 0.903 622 M CB 2.111 34.791 32.600 0.134 0.000 1.711 622 M HN 0.452 nan 8.290 nan 0.000 0.451 623 F N 0.032 120.161 119.950 0.299 0.000 2.399 623 F HA 0.591 5.119 4.527 0.001 0.000 0.313 623 F C -0.261 175.672 175.800 0.222 0.000 1.202 623 F CA -0.745 57.384 58.000 0.214 0.000 1.192 623 F CB 0.360 39.449 39.000 0.148 0.000 1.256 623 F HN 0.470 nan 8.300 nan 0.000 0.558 624 K N 1.571 122.313 120.400 0.570 0.000 2.705 624 K HA 0.181 4.502 4.320 0.001 0.000 0.238 624 K C -0.471 176.362 176.600 0.389 0.000 0.996 624 K CA -0.531 56.034 56.287 0.463 0.000 1.007 624 K CB 0.352 33.114 32.500 0.438 0.000 1.206 624 K HN 0.839 nan 8.250 nan 0.000 0.488 625 N N 2.072 121.024 118.700 0.419 0.000 2.370 625 N HA -0.057 4.683 4.740 0.001 0.000 0.198 625 N C 0.487 176.102 175.510 0.174 0.000 1.156 625 N CA 0.191 53.364 53.050 0.205 0.000 0.839 625 N CB 0.235 38.780 38.487 0.096 0.000 0.989 625 N HN 0.341 nan 8.380 nan 0.000 0.468 626 T N 1.209 115.906 114.554 0.238 0.000 2.620 626 T HA -0.110 4.241 4.350 0.001 0.000 0.267 626 T C -1.444 173.364 174.700 0.180 0.000 1.044 626 T CA 1.508 63.762 62.100 0.258 0.000 1.161 626 T CB -1.287 67.763 68.868 0.303 0.000 0.862 626 T HN 0.452 nan 8.240 nan 0.000 0.438 627 P HA 0.446 nan 4.420 nan 0.000 0.220 627 P C 0.204 177.492 177.300 -0.021 0.000 1.806 627 P CA 0.062 63.164 63.100 0.004 0.000 0.976 627 P CB -0.123 31.449 31.700 -0.214 0.000 1.952 628 A N 1.812 124.651 122.820 0.032 0.000 2.121 628 A HA 0.019 4.339 4.320 0.001 0.000 0.218 628 A C 2.181 179.751 177.584 -0.025 0.000 1.154 628 A CA 1.407 53.447 52.037 0.004 0.000 0.679 628 A CB -0.832 18.197 19.000 0.048 0.000 0.795 628 A HN 0.373 nan 8.150 nan 0.000 0.458 629 A N -0.150 122.658 122.820 -0.020 0.000 2.015 629 A HA -0.056 4.264 4.320 0.001 0.000 0.219 629 A C 1.721 179.283 177.584 -0.036 0.000 1.163 629 A CA 1.655 53.670 52.037 -0.035 0.000 0.646 629 A CB -0.272 18.705 19.000 -0.038 0.000 0.806 629 A HN 0.453 nan 8.150 nan 0.000 0.448 630 E N -1.099 119.079 120.200 -0.037 0.000 2.481 630 E HA 0.265 4.616 4.350 0.001 0.000 0.195 630 E C 1.244 177.809 176.600 -0.059 0.000 1.047 630 E CA 0.679 57.054 56.400 -0.041 0.000 0.867 630 E CB -0.251 29.426 29.700 -0.039 0.000 0.858 630 E HN 0.698 nan 8.360 nan 0.000 0.513 631 G N 1.160 109.918 108.800 -0.071 0.000 2.198 631 G HA2 -0.386 3.575 3.960 0.001 0.000 0.260 631 G HA3 -0.386 3.575 3.960 0.001 0.000 0.260 631 G C 0.350 175.184 174.900 -0.110 0.000 1.025 631 G CA 0.533 45.583 45.100 -0.083 0.000 0.769 631 G HN 0.393 nan 8.290 nan 0.000 0.507 632 N N 0.013 118.637 118.700 -0.127 0.000 2.313 632 N HA 0.267 5.007 4.740 0.001 0.000 0.207 632 N C 1.271 176.660 175.510 -0.201 0.000 1.141 632 N CA 0.305 53.260 53.050 -0.157 0.000 0.830 632 N CB 0.148 38.555 38.487 -0.134 0.000 1.008 632 N HN 0.421 nan 8.380 nan 0.000 0.481 633 D N -0.024 120.244 120.400 -0.219 0.000 2.084 633 D HA -0.186 4.454 4.640 0.001 0.000 0.194 633 D C 2.085 178.182 176.300 -0.339 0.000 0.990 633 D CA 1.524 55.337 54.000 -0.311 0.000 0.826 633 D CB -0.167 40.436 40.800 -0.329 0.000 0.971 633 D HN 0.245 nan 8.370 nan 0.000 0.453 634 S N -0.279 115.245 115.700 -0.293 0.000 2.383 634 S HA -0.175 4.295 4.470 0.001 0.000 0.227 634 S C 2.094 176.480 174.600 -0.357 0.000 1.026 634 S CA 1.745 59.784 58.200 -0.268 0.000 0.981 634 S CB -1.067 62.032 63.200 -0.168 0.000 0.818 634 S HN 0.414 nan 8.310 nan 0.000 0.472 635 T N -0.542 113.749 114.554 -0.438 0.000 2.896 635 T HA -0.024 4.327 4.350 0.001 0.000 0.263 635 T C 1.913 176.255 174.700 -0.597 0.000 1.050 635 T CA 1.499 63.096 62.100 -0.839 0.000 1.140 635 T CB -1.303 66.986 68.868 -0.965 0.000 0.877 635 T HN 0.413 nan 8.240 nan 0.000 0.457 636 T N 1.872 116.235 114.554 -0.318 0.000 2.777 636 T HA -0.043 4.308 4.350 0.001 0.000 0.266 636 T C 1.864 176.507 174.700 -0.095 0.000 1.040 636 T CA 1.511 63.542 62.100 -0.114 0.000 1.141 636 T CB -0.313 68.542 68.868 -0.022 0.000 0.868 636 T HN 0.625 nan 8.240 nan 0.000 0.444 637 E N 0.747 120.845 120.200 -0.170 0.000 2.106 637 E HA -0.128 4.223 4.350 0.001 0.000 0.192 637 E C 2.380 178.816 176.600 -0.272 0.000 0.984 637 E CA 1.066 57.398 56.400 -0.113 0.000 0.806 637 E CB -0.173 29.472 29.700 -0.092 0.000 0.750 637 E HN 0.362 nan 8.360 nan 0.000 0.458 638 S N -0.826 114.697 115.700 -0.295 0.000 2.359 638 S HA -0.201 4.270 4.470 0.001 0.000 0.224 638 S C 1.797 176.272 174.600 -0.209 0.000 1.035 638 S CA 1.334 59.363 58.200 -0.286 0.000 1.018 638 S CB -0.409 62.646 63.200 -0.241 0.000 0.876 638 S HN 0.426 nan 8.310 nan 0.000 0.448 639 Y N 1.442 121.649 120.300 -0.156 0.000 2.181 639 Y HA -0.001 4.550 4.550 0.001 0.000 0.288 639 Y C 2.595 178.323 175.900 -0.287 0.000 1.146 639 Y CA 0.869 58.845 58.100 -0.207 0.000 1.164 639 Y CB -0.720 37.633 38.460 -0.178 0.000 0.982 639 Y HN 0.285 nan 8.280 nan 0.000 0.515 640 M N 0.005 119.514 119.600 -0.151 0.000 2.080 640 M HA -0.231 4.250 4.480 0.001 0.000 0.260 640 M C 2.209 178.153 176.300 -0.594 0.000 1.068 640 M CA 1.539 56.679 55.300 -0.266 0.000 1.109 640 M CB -1.181 31.337 32.600 -0.137 0.000 1.342 640 M HN 0.184 nan 8.290 nan 0.000 0.405 641 K N -0.014 119.824 120.400 -0.937 0.000 2.032 641 K HA -0.132 4.189 4.320 0.001 0.000 0.209 641 K C 2.055 178.572 176.600 -0.137 0.000 1.048 641 K CA 1.719 57.557 56.287 -0.748 0.000 0.927 641 K CB -0.405 31.769 32.500 -0.543 0.000 0.712 641 K HN 0.397 nan 8.250 nan 0.000 0.441 642 G N 1.089 109.792 108.800 -0.161 0.000 2.408 642 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 642 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 642 G C 1.499 176.512 174.900 0.189 0.000 1.150 642 G CA 0.613 45.691 45.100 -0.038 0.000 0.776 642 G HN 0.204 nan 8.290 nan 0.000 0.542 643 L N -1.224 120.040 121.223 0.069 0.000 2.046 643 L HA -0.040 4.300 4.340 0.001 0.000 0.208 643 L C 2.599 179.646 176.870 0.294 0.000 1.077 643 L CA 1.247 56.152 54.840 0.108 0.000 0.747 643 L CB -0.374 41.689 42.059 0.008 0.000 0.896 643 L HN 0.439 nan 8.230 nan 0.000 0.432 644 W N 0.925 122.295 121.300 0.116 0.000 2.355 644 W HA -0.173 4.488 4.660 0.001 0.000 0.309 644 W C 2.192 178.805 176.519 0.156 0.000 1.206 644 W CA 1.281 58.755 57.345 0.215 0.000 1.284 644 W CB -0.356 29.293 29.460 0.314 0.000 1.145 644 W HN -0.052 nan 8.180 nan 0.000 0.502 645 L N 1.037 122.278 121.223 0.031 0.000 2.191 645 L HA -0.165 4.176 4.340 0.001 0.000 0.212 645 L C 2.283 179.058 176.870 -0.159 0.000 1.103 645 L CA 1.692 56.422 54.840 -0.184 0.000 0.769 645 L CB -1.043 41.077 42.059 0.101 0.000 0.908 645 L HN 0.139 nan 8.230 nan 0.000 0.438 646 S N -1.906 113.772 115.700 -0.036 0.000 2.614 646 S HA 0.087 4.558 4.470 0.001 0.000 0.230 646 S C 0.535 174.906 174.600 -0.383 0.000 0.952 646 S CA -0.420 57.690 58.200 -0.150 0.000 0.949 646 S CB -0.146 63.077 63.200 0.038 0.000 0.786 646 S HN 0.457 nan 8.310 nan 0.000 0.478 647 N N 1.882 120.308 118.700 -0.457 0.000 2.754 647 N HA -0.157 4.583 4.740 0.001 0.000 0.248 647 N C -0.196 174.733 175.510 -0.968 0.000 1.093 647 N CA 1.006 53.456 53.050 -1.000 0.000 0.699 647 N CB -2.140 35.460 38.487 -1.477 0.000 1.016 647 N HN 0.684 nan 8.380 nan 0.000 0.552 648 H N -1.749 117.213 119.070 -0.180 0.000 2.586 648 H HA 0.246 4.803 4.556 0.001 0.000 0.273 648 H C 0.596 176.195 175.328 0.452 0.000 0.997 648 H CA 0.903 56.991 56.048 0.066 0.000 1.177 648 H CB 1.164 30.872 29.762 -0.089 0.000 1.471 648 H HN 0.251 nan 8.280 nan 0.000 0.538 649 T N -1.165 113.787 114.554 0.663 0.000 2.957 649 T HA 0.059 4.409 4.350 0.001 0.000 0.336 649 T C -0.102 175.211 174.700 1.022 0.000 1.462 649 T CA -0.626 61.994 62.100 0.867 0.000 1.073 649 T CB 1.039 70.405 68.868 0.830 0.000 1.319 649 T HN 0.036 nan 8.240 nan 0.000 0.485 650 Y N 2.891 123.676 120.300 0.809 0.000 2.200 650 Y HA 0.289 4.840 4.550 0.001 0.000 0.290 650 Y C 0.943 177.288 175.900 0.742 0.000 1.137 650 Y CA 1.467 60.004 58.100 0.729 0.000 1.163 650 Y CB 0.356 39.100 38.460 0.473 0.000 0.988 650 Y HN 0.553 nan 8.280 nan 0.000 0.518 651 Q N -1.205 118.886 119.800 0.484 0.000 2.648 651 Q HA 0.228 4.568 4.340 0.001 0.000 0.300 651 Q C -1.180 174.912 176.000 0.154 0.000 0.954 651 Q CA -0.628 55.199 55.803 0.039 0.000 0.757 651 Q CB 1.866 30.519 28.738 -0.141 0.000 1.482 651 Q HN 0.420 nan 8.270 nan 0.000 0.437 652 W N -0.786 120.309 121.300 -0.341 0.000 3.040 652 W HA 0.872 5.532 4.660 0.001 0.000 0.344 652 W C -0.944 175.428 176.519 -0.246 0.000 1.201 652 W CA -0.547 56.714 57.345 -0.140 0.000 1.119 652 W CB 1.020 30.440 29.460 -0.068 0.000 1.478 652 W HN 0.780 nan 8.180 nan 0.000 0.586 653 G N -0.386 108.371 108.800 -0.072 0.000 2.510 653 G HA2 0.583 4.544 3.960 0.001 0.000 0.277 653 G HA3 0.583 4.544 3.960 0.001 0.000 0.277 653 G C -1.441 173.172 174.900 -0.477 0.000 1.223 653 G CA -0.060 44.709 45.100 -0.552 0.000 0.887 653 G HN 1.116 nan 8.290 nan 0.000 0.485 654 G N -1.003 107.292 108.800 -0.841 0.000 2.733 654 G HA2 0.620 4.581 3.960 0.001 0.000 0.297 654 G HA3 0.620 4.581 3.960 0.001 0.000 0.297 654 G C -1.800 172.581 174.900 -0.864 0.000 1.422 654 G CA -0.545 43.593 45.100 -1.604 0.000 0.942 654 G HN 0.986 nan 8.290 nan 0.000 0.510 655 L N 1.742 122.643 121.223 -0.537 0.000 2.280 655 L HA 0.757 5.097 4.340 0.001 0.000 0.287 655 L C -0.289 176.624 176.870 0.072 0.000 1.023 655 L CA -0.821 53.928 54.840 -0.151 0.000 0.819 655 L CB 1.055 43.189 42.059 0.126 0.000 1.212 655 L HN 0.507 nan 8.230 nan 0.000 0.420 656 M N 4.947 124.530 119.600 -0.028 0.000 2.268 656 M HA 0.359 4.840 4.480 0.001 0.000 0.344 656 M C -1.166 175.314 176.300 0.300 0.000 1.106 656 M CA -0.323 55.105 55.300 0.214 0.000 1.010 656 M CB 1.534 34.226 32.600 0.154 0.000 1.649 656 M HN 0.408 nan 8.290 nan 0.000 0.443 657 D N 1.065 121.667 120.400 0.336 0.000 2.696 657 D HA 0.209 4.850 4.640 0.001 0.000 0.251 657 D C 0.821 177.352 176.300 0.384 0.000 1.188 657 D CA -0.356 53.869 54.000 0.375 0.000 0.876 657 D CB 1.636 42.672 40.800 0.392 0.000 1.334 657 D HN 0.708 nan 8.370 nan 0.000 0.540 658 T N 0.304 115.072 114.554 0.356 0.000 2.977 658 T HA -0.118 4.233 4.350 0.001 0.000 0.271 658 T C 1.593 176.541 174.700 0.414 0.000 1.105 658 T CA 0.529 62.833 62.100 0.341 0.000 1.116 658 T CB -0.434 68.637 68.868 0.339 0.000 0.878 658 T HN 0.510 nan 8.240 nan 0.000 0.509 659 W N 2.831 124.346 121.300 0.358 0.000 2.538 659 W HA 0.028 4.689 4.660 0.001 0.000 0.254 659 W C 2.380 179.144 176.519 0.407 0.000 1.249 659 W CA 0.659 58.238 57.345 0.390 0.000 1.253 659 W CB -0.099 29.517 29.460 0.260 0.000 1.130 659 W HN 0.452 nan 8.180 nan 0.000 0.618 660 K N -0.404 120.319 120.400 0.537 0.000 2.218 660 K HA -0.258 4.063 4.320 0.001 0.000 0.205 660 K C 1.882 178.717 176.600 0.393 0.000 1.046 660 K CA 1.431 57.953 56.287 0.391 0.000 0.933 660 K CB -1.245 31.432 32.500 0.295 0.000 0.728 660 K HN 0.281 nan 8.250 nan 0.000 0.454 661 W N 1.145 122.594 121.300 0.248 0.000 2.402 661 W HA -0.204 4.456 4.660 0.001 0.000 0.286 661 W C 1.881 178.549 176.519 0.248 0.000 1.221 661 W CA 1.240 58.698 57.345 0.188 0.000 1.257 661 W CB -0.146 29.404 29.460 0.149 0.000 1.120 661 W HN 0.195 nan 8.180 nan 0.000 0.551 662 Y N 1.755 122.329 120.300 0.456 0.000 2.184 662 Y HA -0.189 4.362 4.550 0.001 0.000 0.290 662 Y C 2.341 178.395 175.900 0.258 0.000 1.129 662 Y CA 2.085 60.417 58.100 0.388 0.000 1.144 662 Y CB -0.772 38.048 38.460 0.599 0.000 0.995 662 Y HN -0.224 nan 8.280 nan 0.000 0.513 663 E N -0.239 120.059 120.200 0.163 0.000 2.153 663 E HA -0.152 4.198 4.350 0.001 0.000 0.194 663 E C 1.955 178.502 176.600 -0.089 0.000 0.988 663 E CA 1.794 58.165 56.400 -0.049 0.000 0.811 663 E CB -0.508 29.262 29.700 0.117 0.000 0.746 663 E HN 0.688 nan 8.360 nan 0.000 0.466 664 T N -3.326 111.196 114.554 -0.052 0.000 3.086 664 T HA 0.329 4.680 4.350 0.001 0.000 0.250 664 T C 1.359 175.967 174.700 -0.153 0.000 1.074 664 T CA 0.500 62.533 62.100 -0.112 0.000 0.988 664 T CB 0.435 69.219 68.868 -0.139 0.000 0.988 664 T HN 0.195 nan 8.240 nan 0.000 0.530 665 G N 1.663 110.381 108.800 -0.136 0.000 2.160 665 G HA2 -0.264 3.697 3.960 0.001 0.000 0.251 665 G HA3 -0.264 3.697 3.960 0.001 0.000 0.251 665 G C -0.043 174.789 174.900 -0.113 0.000 1.008 665 G CA 0.192 45.227 45.100 -0.107 0.000 0.724 665 G HN 0.655 nan 8.290 nan 0.000 0.514 666 K N -0.614 119.625 120.400 -0.268 0.000 2.138 666 K HA 0.587 4.908 4.320 0.001 0.000 0.251 666 K C 1.125 177.676 176.600 -0.083 0.000 1.015 666 K CA -0.020 56.018 56.287 -0.415 0.000 0.917 666 K CB 0.836 32.511 32.500 -1.374 0.000 1.021 666 K HN 0.506 nan 8.250 nan 0.000 0.485 667 W N 0.419 121.470 121.300 -0.416 0.000 4.437 667 W HA 0.327 4.988 4.660 0.001 0.000 0.607 667 W C -0.584 175.387 176.519 -0.913 0.000 3.403 667 W CA -0.431 56.367 57.345 -0.912 0.000 1.125 667 W CB -0.727 27.951 29.460 -1.303 0.000 2.170 667 W HN 0.323 nan 8.180 nan 0.000 0.376 668 K N 1.842 121.151 120.400 -1.817 0.000 2.524 668 K HA 0.099 4.419 4.320 0.001 0.000 0.279 668 K C -0.035 176.107 176.600 -0.763 0.000 0.993 668 K CA -0.285 55.217 56.287 -1.309 0.000 1.030 668 K CB 0.373 32.115 32.500 -1.263 0.000 0.891 668 K HN 0.313 nan 8.250 nan 0.000 0.488 669 L N 6.155 127.118 121.223 -0.433 0.000 2.540 669 L HA -0.037 4.304 4.340 0.001 0.000 0.276 669 L C -0.169 176.461 176.870 -0.399 0.000 1.212 669 L CA 1.060 55.647 54.840 -0.422 0.000 0.893 669 L CB -0.580 41.115 42.059 -0.606 0.000 1.138 669 L HN 0.912 nan 8.230 nan 0.000 0.491 670 F N 1.251 121.149 119.950 -0.087 0.000 2.825 670 F HA -0.276 4.252 4.527 0.001 0.000 0.358 670 F C 1.071 176.744 175.800 -0.213 0.000 0.639 670 F CA 0.619 58.555 58.000 -0.107 0.000 1.153 670 F CB -2.505 36.460 39.000 -0.058 0.000 1.610 670 F HN 0.686 nan 8.300 nan 0.000 0.305 671 A N 0.108 122.752 122.820 -0.294 0.000 2.346 671 A HA 0.574 4.895 4.320 0.001 0.000 0.252 671 A C 0.786 178.273 177.584 -0.162 0.000 1.089 671 A CA 0.591 52.379 52.037 -0.414 0.000 0.797 671 A CB 0.520 18.769 19.000 -1.251 0.000 1.047 671 A HN 0.438 nan 8.150 nan 0.000 0.494 672 S N -0.585 115.135 115.700 0.032 0.000 2.585 672 S HA 0.637 5.108 4.470 0.001 0.000 0.277 672 S C 0.232 175.006 174.600 0.290 0.000 1.241 672 S CA 0.613 58.885 58.200 0.121 0.000 1.041 672 S CB 0.366 63.624 63.200 0.097 0.000 0.987 672 S HN 2.623 nan 8.310 nan 0.000 0.512 673 G N 3.017 111.927 108.800 0.183 0.000 2.675 673 G HA2 -0.101 3.859 3.960 0.001 0.000 0.686 673 G HA3 -0.101 3.859 3.960 0.001 0.000 0.686 673 G C -1.075 173.910 174.900 0.141 0.000 1.215 673 G CA -0.684 44.501 45.100 0.141 0.000 0.777 673 G HN 0.857 nan 8.290 nan 0.000 0.638 674 N N 0.134 118.837 118.700 0.005 0.000 2.342 674 N HA 0.528 5.268 4.740 0.001 0.000 0.293 674 N C 1.330 176.774 175.510 -0.110 0.000 1.026 674 N CA -0.420 52.613 53.050 -0.029 0.000 0.857 674 N CB 1.475 39.934 38.487 -0.046 0.000 1.256 674 N HN 0.988 nan 8.380 nan 0.000 0.484 675 I N 0.383 120.875 120.570 -0.130 0.000 3.956 675 I HA 0.405 4.576 4.170 0.001 0.000 0.333 675 I C 1.037 177.106 176.117 -0.079 0.000 1.302 675 I CA -0.248 60.956 61.300 -0.159 0.000 1.122 675 I CB -0.153 37.720 38.000 -0.211 0.000 1.013 675 I HN 0.598 nan 8.210 nan 0.000 0.405 676 G N 2.693 111.446 108.800 -0.078 0.000 2.601 676 G HA2 -0.317 3.643 3.960 0.001 0.000 0.261 676 G HA3 -0.317 3.643 3.960 0.001 0.000 0.261 676 G C -0.101 174.734 174.900 -0.108 0.000 1.289 676 G CA 0.142 45.188 45.100 -0.090 0.000 0.920 676 G HN 0.510 nan 8.290 nan 0.000 0.571 677 K N 1.147 121.448 120.400 -0.166 0.000 2.758 677 K HA 0.384 4.705 4.320 0.001 0.000 0.250 677 K C 1.235 177.901 176.600 0.110 0.000 1.268 677 K CA 0.536 56.618 56.287 -0.342 0.000 1.228 677 K CB 0.124 32.301 32.500 -0.538 0.000 1.715 677 K HN 0.606 nan 8.250 nan 0.000 0.334 678 S N -0.671 115.148 115.700 0.198 0.000 2.559 678 S HA 0.077 4.548 4.470 0.001 0.000 0.226 678 S C 0.749 175.487 174.600 0.231 0.000 1.030 678 S CA -0.394 57.921 58.200 0.193 0.000 0.956 678 S CB 0.469 63.721 63.200 0.087 0.000 0.900 678 S HN 0.221 nan 8.310 nan 0.000 0.510 679 Q N 1.023 121.019 119.800 0.327 0.000 2.409 679 Q HA 0.366 4.707 4.340 0.001 0.000 0.345 679 Q C 1.131 177.253 176.000 0.203 0.000 0.847 679 Q CA 0.182 56.120 55.803 0.225 0.000 1.092 679 Q CB 0.592 29.497 28.738 0.278 0.000 1.377 679 Q HN 0.470 nan 8.270 nan 0.000 0.399 680 G N 1.409 110.354 108.800 0.241 0.000 2.529 680 G HA2 -0.284 3.677 3.960 0.001 0.000 0.219 680 G HA3 -0.284 3.677 3.960 0.001 0.000 0.219 680 G C 0.980 175.739 174.900 -0.235 0.000 1.177 680 G CA 1.054 46.204 45.100 0.083 0.000 0.773 680 G HN 0.343 nan 8.290 nan 0.000 0.573 681 D N 0.188 120.394 120.400 -0.324 0.000 2.269 681 D HA -0.022 4.618 4.640 0.001 0.000 0.208 681 D C 2.685 178.264 176.300 -1.201 0.000 0.963 681 D CA 0.440 53.943 54.000 -0.829 0.000 0.864 681 D CB -0.061 40.514 40.800 -0.375 0.000 0.936 681 D HN 0.341 nan 8.370 nan 0.000 0.505 682 R N 0.562 120.579 120.500 -0.805 0.000 2.073 682 R HA -0.026 4.315 4.340 0.001 0.000 0.229 682 R C 2.335 178.278 176.300 -0.595 0.000 1.120 682 R CA 0.761 56.302 56.100 -0.933 0.000 0.967 682 R CB -0.087 29.510 30.300 -1.172 0.000 0.862 682 R HN 0.220 nan 8.270 nan 0.000 0.436 683 Q N 0.016 119.714 119.800 -0.169 0.000 2.083 683 Q HA -0.127 4.213 4.340 0.001 0.000 0.198 683 Q C 1.880 177.873 176.000 -0.012 0.000 0.969 683 Q CA 1.357 57.314 55.803 0.257 0.000 0.838 683 Q CB -0.071 28.994 28.738 0.546 0.000 0.900 683 Q HN 0.611 nan 8.270 nan 0.000 0.436 684 W N -0.128 120.960 121.300 -0.353 0.000 2.825 684 W HA 0.045 4.706 4.660 0.002 0.000 0.243 684 W C 0.643 176.862 176.519 -0.501 0.000 1.293 684 W CA 0.187 57.239 57.345 -0.487 0.000 1.403 684 W CB -0.211 28.595 29.460 -1.091 0.000 1.134 684 W HN 0.087 nan 8.180 nan 0.000 0.666 685 L N 1.230 121.981 121.223 -0.787 0.000 2.509 685 L HA 0.008 4.349 4.340 0.001 0.000 0.222 685 L C 2.273 178.529 176.870 -1.023 0.000 1.123 685 L CA 0.925 55.093 54.840 -1.121 0.000 0.856 685 L CB -0.369 40.854 42.059 -1.392 0.000 0.985 685 L HN -0.150 nan 8.230 nan 0.000 0.456 686 T N -1.518 112.583 114.554 -0.754 0.000 3.014 686 T HA -0.090 4.261 4.350 0.001 0.000 0.263 686 T C 0.788 174.830 174.700 -1.096 0.000 1.078 686 T CA 0.032 61.641 62.100 -0.818 0.000 1.135 686 T CB -0.052 68.457 68.868 -0.598 0.000 0.895 686 T HN 0.255 nan 8.240 nan 0.000 0.480 687 E N 2.850 122.418 120.200 -1.052 0.000 2.558 687 E HA 0.002 4.352 4.350 0.001 0.000 0.255 687 E C -2.556 173.754 176.600 -0.483 0.000 0.968 687 E CA -1.662 54.187 56.400 -0.918 0.000 0.939 687 E CB 0.466 30.015 29.700 -0.253 0.000 0.921 687 E HN 0.084 nan 8.360 nan 0.000 0.477 688 P HA -0.083 nan 4.420 nan 0.000 0.264 688 P C -0.263 176.940 177.300 -0.161 0.000 1.183 688 P CA 0.273 63.122 63.100 -0.420 0.000 0.763 688 P CB 0.634 31.865 31.700 -0.782 0.000 0.807 689 E N 1.467 121.630 120.200 -0.062 0.000 2.058 689 E HA -0.205 4.146 4.350 0.001 0.000 0.194 689 E C 1.852 178.486 176.600 0.058 0.000 0.997 689 E CA 2.263 58.676 56.400 0.021 0.000 0.801 689 E CB -0.549 29.259 29.700 0.181 0.000 0.746 689 E HN 0.524 nan 8.360 nan 0.000 0.450 690 S N -0.044 115.730 115.700 0.124 0.000 2.481 690 S HA -0.110 4.360 4.470 0.001 0.000 0.231 690 S C 1.959 176.692 174.600 0.221 0.000 0.996 690 S CA 0.855 59.202 58.200 0.243 0.000 0.942 690 S CB -0.191 63.154 63.200 0.243 0.000 0.768 690 S HN 0.220 nan 8.310 nan 0.000 0.520 691 M N 0.969 120.639 119.600 0.117 0.000 2.213 691 M HA -0.016 4.465 4.480 0.001 0.000 0.263 691 M C 1.457 177.756 176.300 -0.002 0.000 1.062 691 M CA 1.217 56.567 55.300 0.083 0.000 1.105 691 M CB -0.257 32.410 32.600 0.111 0.000 1.385 691 M HN 0.265 nan 8.290 nan 0.000 0.417 692 L N -0.124 121.095 121.223 -0.007 0.000 2.079 692 L HA -0.136 4.205 4.340 0.001 0.000 0.210 692 L C 2.602 179.397 176.870 -0.125 0.000 1.081 692 L CA 2.101 56.938 54.840 -0.005 0.000 0.752 692 L CB -2.425 39.594 42.059 -0.067 0.000 0.896 692 L HN 0.451 nan 8.230 nan 0.000 0.433 693 G N -0.609 108.063 108.800 -0.213 0.000 2.408 693 G HA2 -0.221 3.739 3.960 0.001 0.000 0.217 693 G HA3 -0.221 3.739 3.960 0.001 0.000 0.217 693 G C 1.510 175.943 174.900 -0.778 0.000 1.150 693 G CA 0.394 45.128 45.100 -0.609 0.000 0.776 693 G HN 0.434 nan 8.290 nan 0.000 0.542 694 E N 0.529 120.408 120.200 -0.535 0.000 2.077 694 E HA -0.123 4.228 4.350 0.001 0.000 0.193 694 E C 2.409 178.775 176.600 -0.389 0.000 0.989 694 E CA 1.129 57.173 56.400 -0.593 0.000 0.800 694 E CB -0.113 29.146 29.700 -0.736 0.000 0.746 694 E HN 0.580 nan 8.360 nan 0.000 0.452 695 E N 0.739 120.805 120.200 -0.223 0.000 2.051 695 E HA -0.189 4.162 4.350 0.001 0.000 0.192 695 E C 2.111 178.728 176.600 0.028 0.000 0.991 695 E CA 1.024 57.398 56.400 -0.044 0.000 0.799 695 E CB -0.156 29.579 29.700 0.059 0.000 0.748 695 E HN 0.233 nan 8.360 nan 0.000 0.449 696 A N 1.093 123.839 122.820 -0.124 0.000 1.969 696 A HA -0.111 4.210 4.320 0.001 0.000 0.218 696 A C 2.156 179.768 177.584 0.046 0.000 1.169 696 A CA 0.810 52.774 52.037 -0.121 0.000 0.635 696 A CB -0.507 18.074 19.000 -0.698 0.000 0.810 696 A HN 0.137 nan 8.150 nan 0.000 0.445 697 L N -0.726 120.476 121.223 -0.035 0.000 2.191 697 L HA -0.132 4.209 4.340 0.001 0.000 0.212 697 L C 2.706 179.762 176.870 0.310 0.000 1.103 697 L CA 0.894 55.915 54.840 0.301 0.000 0.769 697 L CB -0.546 41.670 42.059 0.262 0.000 0.908 697 L HN 0.506 nan 8.230 nan 0.000 0.438 698 G N -0.752 108.203 108.800 0.259 0.000 2.422 698 G HA2 -0.160 3.801 3.960 0.001 0.000 0.218 698 G HA3 -0.160 3.801 3.960 0.001 0.000 0.218 698 G C 1.548 176.670 174.900 0.371 0.000 1.140 698 G CA 0.763 46.047 45.100 0.307 0.000 0.775 698 G HN 0.197 nan 8.290 nan 0.000 0.545 699 V N -0.154 119.963 119.914 0.337 0.000 2.255 699 V HA -0.155 3.965 4.120 0.001 0.000 0.243 699 V C 2.217 178.305 176.094 -0.011 0.000 1.038 699 V CA 1.683 64.016 62.300 0.055 0.000 1.008 699 V CB -0.830 30.892 31.823 -0.168 0.000 0.645 699 V HN 0.440 nan 8.190 nan 0.000 0.449 700 Y N 0.784 121.173 120.300 0.148 0.000 2.081 700 Y HA -0.249 4.302 4.550 0.001 0.000 0.280 700 Y C 2.158 178.079 175.900 0.034 0.000 1.163 700 Y CA 1.808 59.997 58.100 0.149 0.000 1.135 700 Y CB -0.390 38.267 38.460 0.328 0.000 0.970 700 Y HN 0.137 nan 8.280 nan 0.000 0.498 701 L N 0.168 121.387 121.223 -0.007 0.000 2.456 701 L HA -0.144 4.196 4.340 0.001 0.000 0.224 701 L C 0.506 177.337 176.870 -0.065 0.000 1.148 701 L CA 1.227 55.959 54.840 -0.180 0.000 0.825 701 L CB -0.424 41.605 42.059 -0.051 0.000 0.937 701 L HN 0.309 nan 8.230 nan 0.000 0.450 702 N N -0.789 117.958 118.700 0.080 0.000 2.235 702 N HA 0.224 4.965 4.740 0.001 0.000 0.231 702 N C 0.905 176.655 175.510 0.400 0.000 1.177 702 N CA 0.578 53.794 53.050 0.278 0.000 0.874 702 N CB 1.334 40.064 38.487 0.406 0.000 1.097 702 N HN 0.162 nan 8.380 nan 0.000 0.518 703 G N -0.534 108.295 108.800 0.048 0.000 2.175 703 G HA2 -0.216 3.745 3.960 0.001 0.000 0.244 703 G HA3 -0.216 3.745 3.960 0.001 0.000 0.244 703 G C 0.463 174.906 174.900 -0.762 0.000 0.982 703 G CA -0.276 44.778 45.100 -0.076 0.000 0.641 703 G HN 0.519 nan 8.290 nan 0.000 0.527 704 G N -0.721 107.429 108.800 -1.082 0.000 2.503 704 G HA2 0.601 4.562 3.960 0.001 0.000 0.257 704 G HA3 0.601 4.562 3.960 0.001 0.000 0.257 704 G C 1.029 175.355 174.900 -0.958 0.000 1.214 704 G CA 0.744 44.707 45.100 -1.896 0.000 0.839 704 G HN 1.508 nan 8.290 nan 0.000 0.559 705 V N -0.932 118.469 119.914 -0.855 0.000 3.392 705 V HA 0.385 4.505 4.120 0.001 0.000 0.294 705 V C -0.113 175.812 176.094 -0.281 0.000 1.561 705 V CA -0.230 61.850 62.300 -0.366 0.000 1.056 705 V CB 0.056 31.758 31.823 -0.201 0.000 0.882 705 V HN 0.393 nan 8.190 nan 0.000 0.440 706 V N 1.473 121.019 119.914 -0.615 0.000 2.540 706 V HA 0.674 4.795 4.120 0.001 0.000 0.302 706 V C -1.152 174.565 176.094 -0.628 0.000 1.035 706 V CA -0.562 61.516 62.300 -0.371 0.000 0.873 706 V CB 1.547 33.230 31.823 -0.234 0.000 0.992 706 V HN 0.399 nan 8.190 nan 0.000 0.428 707 Y N 3.030 123.257 120.300 -0.123 0.000 2.442 707 Y HA 0.708 5.258 4.550 0.001 0.000 0.344 707 Y C 0.107 175.869 175.900 -0.231 0.000 0.976 707 Y CA -0.643 57.319 58.100 -0.229 0.000 1.040 707 Y CB 2.279 40.696 38.460 -0.072 0.000 1.228 707 Y HN 0.652 nan 8.280 nan 0.000 0.451 708 N N 1.475 119.998 118.700 -0.294 0.000 2.591 708 N HA 0.586 5.326 4.740 0.001 0.000 0.263 708 N C -2.086 173.246 175.510 -0.296 0.000 1.308 708 N CA -0.891 52.120 53.050 -0.064 0.000 0.837 708 N CB 1.618 40.085 38.487 -0.034 0.000 1.548 708 N HN 0.456 nan 8.380 nan 0.000 0.493 709 F N -0.012 120.144 119.950 0.343 0.000 2.626 709 F HA 0.522 5.050 4.527 0.001 0.000 0.311 709 F C 0.099 176.088 175.800 0.315 0.000 1.088 709 F CA -0.549 57.611 58.000 0.267 0.000 0.949 709 F CB 2.139 41.187 39.000 0.080 0.000 1.322 709 F HN 0.254 nan 8.300 nan 0.000 0.461 710 E N -0.575 119.883 120.200 0.430 0.000 2.416 710 E HA 0.194 4.544 4.350 0.001 0.000 0.273 710 E C -1.513 175.252 176.600 0.276 0.000 0.935 710 E CA -1.072 55.499 56.400 0.285 0.000 0.784 710 E CB 2.230 32.091 29.700 0.269 0.000 1.301 710 E HN 0.485 nan 8.360 nan 0.000 0.454 711 H N 2.177 121.234 119.070 -0.021 0.000 2.764 711 H HA 0.094 4.651 4.556 0.001 0.000 0.341 711 H C -1.956 173.287 175.328 -0.142 0.000 1.072 711 H CA -1.630 54.227 56.048 -0.319 0.000 1.444 711 H CB 1.237 30.243 29.762 -1.261 0.000 1.458 711 H HN 0.214 nan 8.280 nan 0.000 0.572 712 P HA -0.100 nan 4.420 nan 0.000 0.218 712 P C 1.069 178.552 177.300 0.304 0.000 1.149 712 P CA 1.863 65.088 63.100 0.209 0.000 0.817 712 P CB 0.125 31.763 31.700 -0.104 0.000 0.785 713 A N -1.346 121.694 122.820 0.367 0.000 1.902 713 A HA -0.236 4.084 4.320 0.001 0.000 0.217 713 A C 2.259 180.059 177.584 0.361 0.000 1.181 713 A CA 1.485 53.711 52.037 0.315 0.000 0.623 713 A CB -1.763 17.406 19.000 0.281 0.000 0.818 713 A HN 0.154 nan 8.150 nan 0.000 0.443 714 Y N 1.556 121.980 120.300 0.207 0.000 2.231 714 Y HA -0.092 4.459 4.550 0.001 0.000 0.294 714 Y C 2.790 178.752 175.900 0.103 0.000 1.120 714 Y CA 2.022 60.202 58.100 0.133 0.000 1.141 714 Y CB -0.917 37.633 38.460 0.150 0.000 1.022 714 Y HN 0.408 nan 8.280 nan 0.000 0.523 715 T N -2.483 112.060 114.554 -0.018 0.000 3.023 715 T HA -0.078 4.273 4.350 0.001 0.000 0.266 715 T C 1.344 175.858 174.700 -0.310 0.000 1.093 715 T CA 1.449 63.351 62.100 -0.330 0.000 1.129 715 T CB -0.551 68.118 68.868 -0.332 0.000 0.899 715 T HN 0.380 nan 8.240 nan 0.000 0.491 716 Y N 1.262 121.594 120.300 0.054 0.000 2.678 716 Y HA 0.564 5.114 4.550 0.001 0.000 0.274 716 Y C 1.681 177.535 175.900 -0.076 0.000 1.114 716 Y CA 0.236 58.294 58.100 -0.070 0.000 1.274 716 Y CB 0.508 38.883 38.460 -0.142 0.000 1.438 716 Y HN 0.588 nan 8.280 nan 0.000 0.493 717 G N -0.145 108.776 108.800 0.203 0.000 2.302 717 G HA2 0.318 4.279 3.960 0.001 0.000 0.276 717 G HA3 0.318 4.279 3.960 0.001 0.000 0.276 717 G C -1.768 173.232 174.900 0.167 0.000 1.316 717 G CA -0.497 44.711 45.100 0.179 0.000 0.988 717 G HN 0.565 nan 8.290 nan 0.000 0.479 718 V N -3.766 116.235 119.914 0.144 0.000 3.159 718 V HA 0.845 4.966 4.120 0.001 0.000 0.308 718 V C 0.405 176.563 176.094 0.106 0.000 1.190 718 V CA -0.137 62.250 62.300 0.144 0.000 1.037 718 V CB 1.691 33.615 31.823 0.169 0.000 1.060 718 V HN 1.701 nan 8.190 nan 0.000 0.437 719 N N 2.238 121.005 118.700 0.112 0.000 2.721 719 N HA -0.219 4.522 4.740 0.001 0.000 0.249 719 N C 0.427 175.979 175.510 0.070 0.000 1.072 719 N CA 1.222 54.327 53.050 0.092 0.000 0.710 719 N CB -1.366 37.167 38.487 0.077 0.000 0.993 719 N HN 1.063 nan 8.380 nan 0.000 0.547 720 N N -2.098 116.639 118.700 0.062 0.000 2.741 720 N HA -0.198 4.543 4.740 0.001 0.000 0.251 720 N C -0.520 175.000 175.510 0.017 0.000 1.112 720 N CA 1.397 54.467 53.050 0.034 0.000 0.750 720 N CB -0.764 37.751 38.487 0.047 0.000 1.119 720 N HN 0.641 nan 8.380 nan 0.000 0.561 721 K N 0.767 121.183 120.400 0.027 0.000 2.203 721 K HA 0.354 4.674 4.320 0.001 0.000 0.251 721 K C -0.018 176.595 176.600 0.021 0.000 0.944 721 K CA -0.569 55.733 56.287 0.025 0.000 0.829 721 K CB 1.735 34.258 32.500 0.039 0.000 1.125 721 K HN 0.060 nan 8.250 nan 0.000 0.430 722 E N 1.438 121.651 120.200 0.023 0.000 2.289 722 E HA 0.043 4.394 4.350 0.001 0.000 0.278 722 E C -0.197 176.479 176.600 0.127 0.000 1.032 722 E CA -0.362 56.066 56.400 0.046 0.000 0.854 722 E CB 1.063 30.843 29.700 0.134 0.000 1.046 722 E HN 0.566 nan 8.360 nan 0.000 0.409 723 S N 2.610 118.427 115.700 0.196 0.000 2.584 723 S HA 0.065 4.536 4.470 0.001 0.000 0.270 723 S C 1.127 175.881 174.600 0.256 0.000 1.346 723 S CA -0.539 57.840 58.200 0.298 0.000 1.018 723 S CB 0.640 64.113 63.200 0.454 0.000 0.899 723 S HN 0.542 nan 8.310 nan 0.000 0.542 724 L N 1.155 122.495 121.223 0.195 0.000 2.141 724 L HA -0.041 4.300 4.340 0.001 0.000 0.209 724 L C 2.526 179.563 176.870 0.279 0.000 1.094 724 L CA 0.877 55.812 54.840 0.159 0.000 0.763 724 L CB -0.556 41.593 42.059 0.150 0.000 0.908 724 L HN 0.756 nan 8.230 nan 0.000 0.437 725 L N -0.994 120.489 121.223 0.432 0.000 1.990 725 L HA -0.311 4.030 4.340 0.001 0.000 0.213 725 L C 2.531 179.383 176.870 -0.029 0.000 1.072 725 L CA 1.742 56.682 54.840 0.166 0.000 0.755 725 L CB -0.268 41.684 42.059 -0.178 0.000 0.889 725 L HN 0.180 nan 8.230 nan 0.000 0.432 726 F N 0.267 120.141 119.950 -0.128 0.000 2.113 726 F HA -0.261 4.267 4.527 0.001 0.000 0.297 726 F C 2.852 178.584 175.800 -0.113 0.000 1.103 726 F CA 1.845 59.727 58.000 -0.197 0.000 1.248 726 F CB -0.317 38.590 39.000 -0.154 0.000 0.999 726 F HN 0.283 nan 8.300 nan 0.000 0.475 727 S N -0.734 115.026 115.700 0.099 0.000 2.387 727 S HA -0.119 4.352 4.470 0.001 0.000 0.226 727 S C 1.610 176.120 174.600 -0.150 0.000 1.026 727 S CA 1.206 59.413 58.200 0.012 0.000 0.972 727 S CB -0.413 62.824 63.200 0.061 0.000 0.814 727 S HN 0.437 nan 8.310 nan 0.000 0.477 728 E N 0.421 120.488 120.200 -0.222 0.000 2.415 728 E HA 0.288 4.639 4.350 0.001 0.000 0.197 728 E C 1.712 178.188 176.600 -0.208 0.000 1.007 728 E CA 0.296 56.495 56.400 -0.333 0.000 0.890 728 E CB 0.295 29.491 29.700 -0.839 0.000 0.891 728 E HN 0.518 nan 8.360 nan 0.000 0.496 729 V N 0.181 120.004 119.914 -0.152 0.000 3.264 729 V HA 0.108 4.229 4.120 0.001 0.000 0.217 729 V C 2.111 178.124 176.094 -0.134 0.000 1.236 729 V CA 0.052 62.321 62.300 -0.052 0.000 1.287 729 V CB -0.135 31.695 31.823 0.013 0.000 1.241 729 V HN 0.016 nan 8.190 nan 0.000 0.518 730 I N 0.788 121.131 120.570 -0.377 0.000 2.252 730 I HA -0.211 3.960 4.170 0.001 0.000 0.245 730 I C 2.497 178.330 176.117 -0.473 0.000 1.102 730 I CA 1.871 62.862 61.300 -0.516 0.000 1.385 730 I CB -0.226 37.220 38.000 -0.925 0.000 1.064 730 I HN 0.312 nan 8.210 nan 0.000 0.414 731 K N 0.863 120.822 120.400 -0.735 0.000 2.057 731 K HA -0.188 4.133 4.320 0.001 0.000 0.206 731 K C 2.048 178.562 176.600 -0.144 0.000 1.050 731 K CA 1.300 57.287 56.287 -0.500 0.000 0.935 731 K CB 0.103 32.326 32.500 -0.461 0.000 0.715 731 K HN 0.114 nan 8.250 nan 0.000 0.439 732 E N 0.240 120.371 120.200 -0.114 0.000 2.072 732 E HA -0.171 4.179 4.350 0.001 0.000 0.191 732 E C 1.766 178.383 176.600 0.027 0.000 0.985 732 E CA 0.856 57.237 56.400 -0.032 0.000 0.801 732 E CB -0.357 29.321 29.700 -0.038 0.000 0.750 732 E HN 0.335 nan 8.360 nan 0.000 0.452 733 F N 0.628 120.546 119.950 -0.054 0.000 2.095 733 F HA -0.250 4.278 4.527 0.001 0.000 0.298 733 F C 2.195 177.963 175.800 -0.054 0.000 1.104 733 F CA 1.336 59.309 58.000 -0.045 0.000 1.232 733 F CB -0.314 38.633 39.000 -0.088 0.000 0.987 733 F HN -0.010 nan 8.300 nan 0.000 0.475 734 F N 1.227 121.108 119.950 -0.115 0.000 2.186 734 F HA -0.058 4.470 4.527 0.001 0.000 0.299 734 F C 2.457 178.117 175.800 -0.233 0.000 1.090 734 F CA 1.435 59.306 58.000 -0.215 0.000 1.307 734 F CB -0.593 38.329 39.000 -0.129 0.000 1.019 734 F HN -0.167 nan 8.300 nan 0.000 0.489 735 R N -1.373 119.032 120.500 -0.159 0.000 2.105 735 R HA -0.259 4.082 4.340 0.001 0.000 0.239 735 R C 2.165 178.296 176.300 -0.283 0.000 1.135 735 R CA 1.953 57.916 56.100 -0.229 0.000 0.967 735 R CB -1.007 29.233 30.300 -0.100 0.000 0.861 735 R HN 0.419 nan 8.270 nan 0.000 0.442 736 Y N 1.153 121.238 120.300 -0.358 0.000 2.145 736 Y HA -0.232 4.318 4.550 0.001 0.000 0.286 736 Y C 2.187 177.861 175.900 -0.377 0.000 1.145 736 Y CA 1.697 59.600 58.100 -0.327 0.000 1.148 736 Y CB -0.050 38.149 38.460 -0.435 0.000 0.981 736 Y HN -0.057 nan 8.280 nan 0.000 0.507 737 V N -1.626 117.996 119.914 -0.486 0.000 3.041 737 V HA -0.122 3.998 4.120 0.001 0.000 0.260 737 V C 1.792 177.652 176.094 -0.389 0.000 1.105 737 V CA 1.494 63.555 62.300 -0.398 0.000 1.125 737 V CB -0.763 30.852 31.823 -0.347 0.000 0.730 737 V HN 0.454 nan 8.190 nan 0.000 0.479 738 I N 1.234 121.440 120.570 -0.605 0.000 2.277 738 I HA 0.036 4.207 4.170 0.001 0.000 0.243 738 I C 2.915 178.743 176.117 -0.481 0.000 1.094 738 I CA 1.350 62.253 61.300 -0.662 0.000 1.393 738 I CB -0.605 36.864 38.000 -0.885 0.000 1.078 738 I HN 0.324 nan 8.210 nan 0.000 0.417 739 A N -0.123 122.408 122.820 -0.482 0.000 1.972 739 A HA -0.158 4.163 4.320 0.001 0.000 0.219 739 A C 0.520 177.643 177.584 -0.768 0.000 1.169 739 A CA 1.430 53.126 52.037 -0.568 0.000 0.635 739 A CB -0.744 17.909 19.000 -0.578 0.000 0.810 739 A HN 0.535 nan 8.150 nan 0.000 0.446 740 H N -1.030 117.773 119.070 -0.445 0.000 2.541 740 H HA 0.376 4.933 4.556 0.001 0.000 0.246 740 H C -2.887 172.422 175.328 -0.031 0.000 1.341 740 H CA -2.078 53.804 56.048 -0.276 0.000 1.469 740 H CB 0.288 29.776 29.762 -0.457 0.000 1.472 740 H HN 0.153 nan 8.280 nan 0.000 0.503 741 P HA -0.009 nan 4.420 nan 0.000 0.264 741 P C 0.136 177.515 177.300 0.132 0.000 1.183 741 P CA 0.057 63.192 63.100 0.060 0.000 0.763 741 P CB 0.661 32.358 31.700 -0.006 0.000 0.807 742 A N 6.279 129.159 122.820 0.100 0.000 2.536 742 A HA 0.203 4.523 4.320 0.001 0.000 0.234 742 A C -1.857 175.653 177.584 -0.123 0.000 1.076 742 A CA -0.667 51.221 52.037 -0.247 0.000 0.769 742 A CB -1.434 17.427 19.000 -0.232 0.000 1.020 742 A HN 0.440 nan 8.150 nan 0.000 0.508 743 P HA 0.109 nan 4.420 nan 0.000 0.268 743 P C 0.171 177.559 177.300 0.146 0.000 1.204 743 P CA 0.126 63.231 63.100 0.007 0.000 0.768 743 P CB 0.465 32.170 31.700 0.008 0.000 0.842 744 S N 2.154 117.950 115.700 0.159 0.000 2.596 744 S HA 0.080 4.551 4.470 0.001 0.000 0.260 744 S C 1.413 176.175 174.600 0.271 0.000 1.336 744 S CA -0.399 57.941 58.200 0.232 0.000 0.993 744 S CB 0.750 64.034 63.200 0.141 0.000 0.923 744 S HN 0.488 nan 8.310 nan 0.000 0.567 745 K N 0.729 121.246 120.400 0.195 0.000 2.044 745 K HA -0.243 4.078 4.320 0.001 0.000 0.210 745 K C 2.231 178.746 176.600 -0.142 0.000 1.049 745 K CA 1.924 58.029 56.287 -0.302 0.000 0.927 745 K CB -0.438 31.751 32.500 -0.519 0.000 0.713 745 K HN 0.854 nan 8.250 nan 0.000 0.443 746 E N 0.556 120.730 120.200 -0.043 0.000 2.049 746 E HA -0.290 4.060 4.350 0.001 0.000 0.198 746 E C 2.037 178.644 176.600 0.012 0.000 1.007 746 E CA 1.405 57.795 56.400 -0.016 0.000 0.809 746 E CB -0.033 29.673 29.700 0.011 0.000 0.749 746 E HN 0.069 nan 8.360 nan 0.000 0.450 747 K N 0.598 121.025 120.400 0.046 0.000 2.001 747 K HA -0.138 4.182 4.320 0.001 0.000 0.214 747 K C 2.231 178.872 176.600 0.069 0.000 1.050 747 K CA 1.450 57.771 56.287 0.057 0.000 0.934 747 K CB -0.838 31.706 32.500 0.073 0.000 0.718 747 K HN 0.159 nan 8.250 nan 0.000 0.443 748 V N 1.591 121.566 119.914 0.103 0.000 2.324 748 V HA -0.262 3.859 4.120 0.001 0.000 0.250 748 V C 2.524 178.676 176.094 0.096 0.000 1.060 748 V CA 1.415 63.800 62.300 0.141 0.000 1.042 748 V CB -0.427 31.562 31.823 0.276 0.000 0.650 748 V HN 0.190 nan 8.190 nan 0.000 0.450 749 L N 0.720 121.963 121.223 0.033 0.000 2.027 749 L HA -0.165 4.176 4.340 0.001 0.000 0.206 749 L C 2.730 179.620 176.870 0.033 0.000 1.074 749 L CA 2.402 57.253 54.840 0.018 0.000 0.745 749 L CB -1.143 40.888 42.059 -0.046 0.000 0.898 749 L HN 0.689 nan 8.230 nan 0.000 0.433 750 E N -1.500 118.714 120.200 0.024 0.000 2.160 750 E HA -0.253 4.097 4.350 0.001 0.000 0.195 750 E C 1.017 177.638 176.600 0.035 0.000 0.991 750 E CA 1.628 58.041 56.400 0.022 0.000 0.810 750 E CB -0.367 29.343 29.700 0.017 0.000 0.742 750 E HN 0.408 nan 8.360 nan 0.000 0.466 751 D N 0.571 121.007 120.400 0.059 0.000 2.355 751 D HA 0.022 4.663 4.640 0.001 0.000 0.218 751 D C -0.128 176.250 176.300 0.129 0.000 1.004 751 D CA 0.594 54.642 54.000 0.081 0.000 0.880 751 D CB 0.213 41.072 40.800 0.098 0.000 0.911 751 D HN 0.057 nan 8.370 nan 0.000 0.528 752 T N 1.028 115.663 114.554 0.136 0.000 2.780 752 T HA 0.155 4.506 4.350 0.001 0.000 0.294 752 T C 1.227 176.009 174.700 0.137 0.000 0.949 752 T CA -0.387 61.838 62.100 0.209 0.000 1.074 752 T CB 1.668 70.668 68.868 0.220 0.000 0.910 752 T HN -0.211 nan 8.240 nan 0.000 0.501 753 K N 1.812 122.285 120.400 0.121 0.000 2.335 753 K HA 0.294 4.615 4.320 0.001 0.000 0.195 753 K C 0.219 176.884 176.600 0.109 0.000 1.058 753 K CA 0.331 56.568 56.287 -0.083 0.000 0.988 753 K CB 0.674 32.789 32.500 -0.642 0.000 0.880 753 K HN 0.368 nan 8.250 nan 0.000 0.513 754 V N 1.178 121.285 119.914 0.322 0.000 2.760 754 V HA 0.437 4.558 4.120 0.001 0.000 0.309 754 V C -1.512 174.830 176.094 0.414 0.000 1.077 754 V CA -1.022 61.530 62.300 0.421 0.000 0.910 754 V CB 2.346 34.514 31.823 0.576 0.000 1.008 754 V HN 0.065 nan 8.190 nan 0.000 0.424 755 F N 4.780 124.870 119.950 0.232 0.000 2.536 755 F HA 0.669 5.197 4.527 0.001 0.000 0.322 755 F C -0.462 175.419 175.800 0.135 0.000 1.144 755 F CA -0.502 57.587 58.000 0.149 0.000 0.924 755 F CB 1.251 40.306 39.000 0.093 0.000 1.181 755 F HN 0.349 nan 8.300 nan 0.000 0.438 756 I N 5.193 125.739 120.570 -0.040 0.000 2.396 756 I HA 0.177 4.348 4.170 0.001 0.000 0.292 756 I C -0.858 175.284 176.117 0.042 0.000 0.999 756 I CA -0.547 60.710 61.300 -0.071 0.000 1.310 756 I CB 1.205 38.949 38.000 -0.426 0.000 1.404 756 I HN 0.581 nan 8.210 nan 0.000 0.496 757 H N 4.965 124.034 119.070 -0.000 0.000 2.587 757 H HA 0.738 5.295 4.556 0.001 0.000 0.325 757 H C -0.370 174.888 175.328 -0.115 0.000 1.012 757 H CA -0.086 55.959 56.048 -0.005 0.000 1.213 757 H CB 1.063 30.859 29.762 0.057 0.000 1.431 757 H HN 0.777 nan 8.280 nan 0.000 0.492 758 G N 3.352 111.783 108.800 -0.614 0.000 2.361 758 G HA2 0.059 4.020 3.960 0.001 0.000 0.305 758 G HA3 0.059 4.020 3.960 0.001 0.000 0.305 758 G C -1.747 172.890 174.900 -0.437 0.000 1.367 758 G CA -1.009 43.769 45.100 -0.536 0.000 0.951 758 G HN 0.533 nan 8.290 nan 0.000 0.615 759 D N 0.286 120.492 120.400 -0.323 0.000 2.347 759 D HA 0.378 5.018 4.640 0.001 0.000 0.235 759 D C 0.656 176.822 176.300 -0.223 0.000 1.149 759 D CA -0.255 53.633 54.000 -0.188 0.000 0.850 759 D CB 0.984 41.714 40.800 -0.117 0.000 1.061 759 D HN 0.319 nan 8.370 nan 0.000 0.487 760 Y N 1.188 121.402 120.300 -0.144 0.000 2.333 760 Y HA -0.221 4.330 4.550 0.001 0.000 0.290 760 Y C 2.553 178.365 175.900 -0.146 0.000 1.144 760 Y CA 0.991 58.916 58.100 -0.291 0.000 1.228 760 Y CB -0.427 37.781 38.460 -0.419 0.000 0.985 760 Y HN 0.355 nan 8.280 nan 0.000 0.542 761 S N -0.615 115.125 115.700 0.067 0.000 2.442 761 S HA -0.192 4.279 4.470 0.001 0.000 0.236 761 S C 1.631 176.237 174.600 0.009 0.000 1.007 761 S CA 1.416 59.633 58.200 0.028 0.000 0.965 761 S CB -0.422 62.785 63.200 0.011 0.000 0.773 761 S HN 0.463 nan 8.310 nan 0.000 0.504 762 N N 0.795 119.490 118.700 -0.008 0.000 2.236 762 N HA 0.163 4.904 4.740 0.001 0.000 0.196 762 N C 0.132 175.649 175.510 0.012 0.000 1.114 762 N CA 0.149 53.193 53.050 -0.010 0.000 0.859 762 N CB 0.187 38.654 38.487 -0.034 0.000 0.982 762 N HN 0.080 nan 8.380 nan 0.000 0.493 763 K N -0.501 119.923 120.400 0.039 0.000 2.972 763 K HA 0.357 4.678 4.320 0.001 0.000 0.209 763 K C 0.217 176.909 176.600 0.153 0.000 1.128 763 K CA 0.027 56.385 56.287 0.118 0.000 1.024 763 K CB 0.401 33.025 32.500 0.207 0.000 0.754 763 K HN 0.126 nan 8.250 nan 0.000 0.454 764 G N 1.492 110.338 108.800 0.076 0.000 2.157 764 G HA2 -0.345 3.615 3.960 0.001 0.000 0.248 764 G HA3 -0.345 3.615 3.960 0.001 0.000 0.248 764 G C 0.441 175.361 174.900 0.033 0.000 0.979 764 G CA 0.233 45.363 45.100 0.050 0.000 0.650 764 G HN 0.340 nan 8.290 nan 0.000 0.529 765 N N -0.993 117.724 118.700 0.029 0.000 1.188 765 N HA -0.299 4.442 4.740 0.001 0.000 0.128 765 N C 1.820 177.286 175.510 -0.073 0.000 0.759 765 N CA 2.654 55.683 53.050 -0.036 0.000 0.905 765 N CB -1.404 37.063 38.487 -0.034 0.000 1.156 765 N HN 1.294 nan 8.380 nan 0.000 0.553 766 G N 0.611 109.367 108.800 -0.074 0.000 2.471 766 G HA2 -0.207 3.754 3.960 0.001 0.000 0.219 766 G HA3 -0.207 3.754 3.960 0.001 0.000 0.219 766 G C 1.425 176.325 174.900 0.001 0.000 1.125 766 G CA 1.402 46.472 45.100 -0.051 0.000 0.775 766 G HN 0.557 nan 8.290 nan 0.000 0.548 767 K N -0.522 119.875 120.400 -0.004 0.000 2.286 767 K HA -0.128 4.192 4.320 0.001 0.000 0.203 767 K C 1.938 178.520 176.600 -0.030 0.000 1.045 767 K CA 0.887 57.169 56.287 -0.009 0.000 0.935 767 K CB -0.278 32.214 32.500 -0.013 0.000 0.737 767 K HN 0.406 nan 8.250 nan 0.000 0.460 768 F N 0.086 119.910 119.950 -0.212 0.000 2.171 768 F HA -0.179 4.349 4.527 0.001 0.000 0.300 768 F C 1.284 176.783 175.800 -0.502 0.000 1.090 768 F CA 1.402 59.170 58.000 -0.386 0.000 1.293 768 F CB 0.118 38.788 39.000 -0.549 0.000 1.013 768 F HN -0.099 nan 8.300 nan 0.000 0.486 769 F N -0.716 119.287 119.950 0.088 0.000 2.695 769 F HA 0.219 4.747 4.527 0.001 0.000 0.303 769 F C 0.556 176.353 175.800 -0.004 0.000 1.091 769 F CA -0.359 57.664 58.000 0.039 0.000 1.300 769 F CB -0.599 38.443 39.000 0.070 0.000 1.071 769 F HN -0.433 nan 8.300 nan 0.000 0.578 770 V N 1.598 121.572 119.914 0.100 0.000 2.585 770 V HA -0.027 4.093 4.120 0.001 0.000 0.296 770 V C 0.641 176.756 176.094 0.034 0.000 1.035 770 V CA 0.214 62.546 62.300 0.054 0.000 1.084 770 V CB -0.200 31.633 31.823 0.016 0.000 0.953 770 V HN 0.619 nan 8.190 nan 0.000 0.483 771 N N 1.315 120.041 118.700 0.044 0.000 2.828 771 N HA -0.190 4.551 4.740 0.001 0.000 0.248 771 N C 0.455 176.004 175.510 0.066 0.000 1.044 771 N CA 0.731 53.805 53.050 0.040 0.000 0.851 771 N CB -0.827 37.670 38.487 0.017 0.000 1.136 771 N HN 0.487 nan 8.380 nan 0.000 0.572 772 V N -0.001 119.980 119.914 0.113 0.000 2.784 772 V HA 0.109 4.230 4.120 0.001 0.000 0.231 772 V C 1.363 177.639 176.094 0.303 0.000 1.128 772 V CA 1.687 64.095 62.300 0.181 0.000 1.178 772 V CB 0.004 31.929 31.823 0.170 0.000 0.943 772 V HN 0.556 nan 8.190 nan 0.000 0.500 773 N N 0.261 119.149 118.700 0.314 0.000 2.167 773 N HA 0.069 4.810 4.740 0.001 0.000 0.234 773 N C -0.035 175.618 175.510 0.239 0.000 1.312 773 N CA 0.479 53.707 53.050 0.297 0.000 0.861 773 N CB 0.216 38.916 38.487 0.355 0.000 1.217 773 N HN 0.563 nan 8.380 nan 0.000 0.504 774 T N -2.413 112.226 114.554 0.142 0.000 2.908 774 T HA 0.378 4.728 4.350 0.001 0.000 0.290 774 T C 0.104 174.794 174.700 -0.017 0.000 1.034 774 T CA -0.603 61.500 62.100 0.005 0.000 1.010 774 T CB 2.094 70.935 68.868 -0.045 0.000 1.068 774 T HN 0.038 nan 8.240 nan 0.000 0.481 775 D N 0.496 120.867 120.400 -0.049 0.000 2.350 775 D HA 0.061 4.702 4.640 0.001 0.000 0.213 775 D C 0.666 176.991 176.300 0.042 0.000 1.031 775 D CA -0.141 53.864 54.000 0.008 0.000 0.861 775 D CB 0.277 41.133 40.800 0.093 0.000 0.926 775 D HN 0.873 nan 8.370 nan 0.000 0.520 776 R N -1.704 118.807 120.500 0.018 0.000 2.728 776 R HA 0.262 4.603 4.340 0.001 0.000 0.274 776 R C -0.013 176.279 176.300 -0.013 0.000 1.032 776 R CA -0.769 55.337 56.100 0.011 0.000 0.866 776 R CB 0.458 30.770 30.300 0.019 0.000 1.263 776 R HN -0.201 nan 8.270 nan 0.000 0.475 777 E N 0.428 120.617 120.200 -0.018 0.000 2.106 777 E HA -0.100 4.251 4.350 0.001 0.000 0.192 777 E C -0.061 176.508 176.600 -0.051 0.000 0.984 777 E CA 1.172 57.553 56.400 -0.032 0.000 0.806 777 E CB 0.274 29.956 29.700 -0.028 0.000 0.750 777 E HN 0.478 nan 8.360 nan 0.000 0.458 778 Q N 0.674 120.445 119.800 -0.048 0.000 2.810 778 Q HA 0.179 4.519 4.340 0.001 0.000 0.236 778 Q C -0.990 174.976 176.000 -0.056 0.000 1.278 778 Q CA -0.099 55.670 55.803 -0.057 0.000 1.065 778 Q CB 1.399 30.103 28.738 -0.057 0.000 1.364 778 Q HN -0.073 nan 8.270 nan 0.000 0.570 779 T N 0.055 114.561 114.554 -0.079 0.000 2.942 779 T HA 0.387 4.738 4.350 0.001 0.000 0.327 779 T C -2.525 172.080 174.700 -0.158 0.000 1.360 779 T CA -1.454 60.599 62.100 -0.078 0.000 1.055 779 T CB 1.655 70.494 68.868 -0.049 0.000 1.261 779 T HN 0.120 nan 8.240 nan 0.000 0.485 780 P HA 0.352 nan 4.420 nan 0.000 0.268 780 P C -0.176 176.956 177.300 -0.280 0.000 1.329 780 P CA -0.113 62.857 63.100 -0.217 0.000 0.899 780 P CB 0.281 31.925 31.700 -0.093 0.000 1.378 781 L N -0.702 120.369 121.223 -0.253 0.000 2.304 781 L HA 0.499 4.839 4.340 0.001 0.000 0.268 781 L C -0.043 176.597 176.870 -0.385 0.000 1.010 781 L CA -1.353 53.384 54.840 -0.172 0.000 0.813 781 L CB 0.828 42.930 42.059 0.073 0.000 1.315 781 L HN -0.184 nan 8.230 nan 0.000 0.445 782 Y N -0.275 120.074 120.300 0.082 0.000 2.549 782 Y HA 0.321 4.872 4.550 0.001 0.000 0.339 782 Y C 0.609 176.544 175.900 0.058 0.000 1.053 782 Y CA -0.870 57.241 58.100 0.018 0.000 1.105 782 Y CB 1.845 40.307 38.460 0.003 0.000 1.258 782 Y HN 0.531 nan 8.280 nan 0.000 0.478 783 M N -1.199 118.427 119.600 0.043 0.000 2.313 783 M HA 0.353 4.834 4.480 0.001 0.000 0.273 783 M C 0.016 176.319 176.300 0.004 0.000 1.049 783 M CA 0.089 55.109 55.300 -0.468 0.000 1.004 783 M CB 0.733 32.596 32.600 -1.228 0.000 1.461 783 M HN 0.383 nan 8.290 nan 0.000 0.514 784 T N -0.595 114.098 114.554 0.233 0.000 2.932 784 T HA 0.638 4.988 4.350 0.001 0.000 0.318 784 T C 0.235 174.970 174.700 0.058 0.000 1.265 784 T CA -0.309 61.856 62.100 0.109 0.000 1.036 784 T CB 1.637 70.478 68.868 -0.044 0.000 1.209 784 T HN 0.273 nan 8.240 nan 0.000 0.484 785 G N 1.978 110.601 108.800 -0.295 0.000 3.233 785 G HA2 0.108 4.069 3.960 0.001 0.000 0.234 785 G HA3 0.108 4.069 3.960 0.001 0.000 0.234 785 G C 1.188 175.972 174.900 -0.192 0.000 1.137 785 G CA 0.036 44.970 45.100 -0.277 0.000 0.763 785 G HN 0.770 nan 8.290 nan 0.000 0.549 786 R N -0.264 120.068 120.500 -0.281 0.000 2.119 786 R HA -0.183 4.157 4.340 0.001 0.000 0.246 786 R C 0.976 176.953 176.300 -0.538 0.000 1.146 786 R CA 1.641 57.469 56.100 -0.453 0.000 0.962 786 R CB -0.194 29.619 30.300 -0.812 0.000 0.863 786 R HN 0.469 nan 8.270 nan 0.000 0.442 787 Y N 1.165 121.304 120.300 -0.268 0.000 2.485 787 Y HA 0.167 4.717 4.550 0.001 0.000 0.260 787 Y C 0.694 176.313 175.900 -0.468 0.000 1.173 787 Y CA -0.305 57.376 58.100 -0.698 0.000 1.252 787 Y CB -0.722 37.364 38.460 -0.624 0.000 1.123 787 Y HN 0.255 nan 8.280 nan 0.000 0.524 788 N N -0.439 118.159 118.700 -0.171 0.000 1.147 788 N HA -0.292 4.448 4.740 0.001 0.000 0.110 788 N C -0.432 174.918 175.510 -0.266 0.000 0.748 788 N CA 1.137 54.108 53.050 -0.133 0.000 0.836 788 N CB -1.033 37.431 38.487 -0.038 0.000 1.055 788 N HN 0.024 nan 8.380 nan 0.000 0.639 789 V N 1.024 120.789 119.914 -0.248 0.000 2.370 789 V HA 0.408 4.528 4.120 0.001 0.000 0.279 789 V C 0.532 176.499 176.094 -0.213 0.000 1.029 789 V CA -0.563 61.531 62.300 -0.343 0.000 0.870 789 V CB 0.743 32.396 31.823 -0.284 0.000 0.984 789 V HN 0.375 nan 8.190 nan 0.000 0.451 790 I N 9.293 129.721 120.570 -0.238 0.000 2.505 790 I HA 0.181 4.352 4.170 0.001 0.000 0.287 790 I C -1.790 174.237 176.117 -0.149 0.000 1.104 790 I CA -1.170 60.075 61.300 -0.092 0.000 1.387 790 I CB 0.929 38.968 38.000 0.064 0.000 1.404 790 I HN 0.444 nan 8.210 nan 0.000 0.528 791 P HA 0.407 nan 4.420 nan 0.000 0.277 791 P C -1.078 175.785 177.300 -0.728 0.000 1.240 791 P CA -0.330 62.513 63.100 -0.429 0.000 0.798 791 P CB 1.757 33.198 31.700 -0.431 0.000 0.979 792 A N 2.341 124.789 122.820 -0.620 0.000 2.606 792 A HA 0.817 5.137 4.320 0.001 0.000 0.293 792 A C -0.698 176.792 177.584 -0.156 0.000 1.082 792 A CA -0.789 50.947 52.037 -0.501 0.000 0.685 792 A CB 1.192 20.001 19.000 -0.317 0.000 1.284 792 A HN 0.589 nan 8.150 nan 0.000 0.408 793 I N -1.894 118.678 120.570 0.004 0.000 2.828 793 I HA 0.724 4.895 4.170 0.001 0.000 0.302 793 I C -2.983 173.012 176.117 -0.204 0.000 1.101 793 I CA -3.013 58.250 61.300 -0.062 0.000 1.031 793 I CB 2.229 40.197 38.000 -0.052 0.000 1.231 793 I HN 0.245 nan 8.210 nan 0.000 0.427 794 P HA 0.088 nan 4.420 nan 0.000 0.269 794 P C 0.892 177.962 177.300 -0.384 0.000 1.217 794 P CA 0.101 62.897 63.100 -0.508 0.000 0.783 794 P CB 0.716 32.073 31.700 -0.570 0.000 0.898 795 G N 0.937 109.490 108.800 -0.413 0.000 2.470 795 G HA2 -0.208 3.753 3.960 0.001 0.000 0.220 795 G HA3 -0.208 3.753 3.960 0.001 0.000 0.220 795 G C 1.444 176.256 174.900 -0.146 0.000 1.121 795 G CA 0.403 45.201 45.100 -0.502 0.000 0.766 795 G HN 0.481 nan 8.290 nan 0.000 0.553 796 V N 0.268 120.125 119.914 -0.094 0.000 2.759 796 V HA 0.185 4.305 4.120 0.001 0.000 0.256 796 V C 1.352 177.466 176.094 0.034 0.000 1.080 796 V CA 0.631 62.931 62.300 0.000 0.000 1.101 796 V CB -0.242 31.597 31.823 0.028 0.000 0.698 796 V HN 0.226 nan 8.190 nan 0.000 0.477 797 L N 0.144 121.364 121.223 -0.004 0.000 2.454 797 L HA 0.389 4.730 4.340 0.001 0.000 0.256 797 L C 0.167 177.083 176.870 0.077 0.000 1.136 797 L CA -0.430 54.389 54.840 -0.035 0.000 0.804 797 L CB 0.744 42.598 42.059 -0.343 0.000 1.181 797 L HN -0.023 nan 8.230 nan 0.000 0.469 798 K N 0.214 120.617 120.400 0.005 0.000 2.183 798 K HA 0.269 4.589 4.320 0.001 0.000 0.274 798 K C 0.653 177.199 176.600 -0.090 0.000 1.009 798 K CA -0.088 56.150 56.287 -0.081 0.000 0.888 798 K CB 1.630 34.101 32.500 -0.048 0.000 1.078 798 K HN 0.815 nan 8.250 nan 0.000 0.459 799 T N 1.042 115.472 114.554 -0.207 0.000 1.595 799 T HA -0.412 3.938 4.350 0.001 0.000 0.080 799 T C 0.647 175.236 174.700 -0.185 0.000 1.869 799 T CA 1.593 63.542 62.100 -0.251 0.000 0.758 799 T CB -1.504 67.177 68.868 -0.312 0.000 0.789 799 T HN 1.080 nan 8.240 nan 0.000 0.384 813 I N 3.302 123.879 120.570 0.012 0.000 2.395 813 I HA 0.289 4.460 4.170 0.001 0.000 0.289 813 I C -0.046 176.115 176.117 0.072 0.000 1.023 813 I CA -0.445 60.886 61.300 0.051 0.000 1.350 813 I CB 1.773 39.811 38.000 0.063 0.000 1.409 813 I HN 0.464 nan 8.210 nan 0.000 0.507 814 Q N 6.243 126.117 119.800 0.124 0.000 2.314 814 Q HA 0.420 4.760 4.340 0.001 0.000 0.257 814 Q C -0.692 175.443 176.000 0.223 0.000 0.975 814 Q CA -0.311 55.590 55.803 0.163 0.000 0.933 814 Q CB 1.366 30.238 28.738 0.222 0.000 1.195 814 Q HN 0.530 nan 8.270 nan 0.000 0.426 815 I N 3.667 124.332 120.570 0.158 0.000 2.395 815 I HA 0.214 4.384 4.170 0.001 0.000 0.289 815 I C 0.009 176.248 176.117 0.204 0.000 1.023 815 I CA -0.214 61.202 61.300 0.194 0.000 1.350 815 I CB 0.537 38.571 38.000 0.057 0.000 1.409 815 I HN 0.232 nan 8.210 nan 0.000 0.507 816 K N 5.752 126.328 120.400 0.294 0.000 2.482 816 K HA 0.380 4.701 4.320 0.001 0.000 0.251 816 K C -0.765 176.020 176.600 0.309 0.000 0.936 816 K CA -0.864 55.598 56.287 0.292 0.000 0.791 816 K CB 2.046 34.818 32.500 0.453 0.000 1.213 816 K HN 0.373 nan 8.250 nan 0.000 0.428 817 E N 2.300 122.633 120.200 0.221 0.000 2.373 817 E HA 0.037 4.388 4.350 0.001 0.000 0.267 817 E C 1.114 177.837 176.600 0.205 0.000 1.032 817 E CA -0.043 56.465 56.400 0.181 0.000 0.889 817 E CB 1.149 30.924 29.700 0.125 0.000 0.984 817 E HN 0.570 nan 8.360 nan 0.000 0.425 818 I N 2.018 122.606 120.570 0.030 0.000 2.614 818 I HA -0.246 3.925 4.170 0.001 0.000 0.258 818 I C 1.680 177.876 176.117 0.131 0.000 1.189 818 I CA 1.356 62.643 61.300 -0.023 0.000 1.462 818 I CB 0.159 37.957 38.000 -0.337 0.000 1.092 818 I HN 0.478 nan 8.210 nan 0.000 0.442 819 T N -1.823 112.777 114.554 0.077 0.000 3.148 819 T HA 0.093 4.444 4.350 0.001 0.000 0.253 819 T C 0.936 175.676 174.700 0.066 0.000 1.134 819 T CA 0.225 62.364 62.100 0.064 0.000 1.051 819 T CB -0.739 68.142 68.868 0.022 0.000 0.959 819 T HN 0.423 nan 8.240 nan 0.000 0.525 820 S N 1.833 117.589 115.700 0.094 0.000 2.579 820 S HA 0.225 4.695 4.470 0.001 0.000 0.275 820 S C -1.679 172.884 174.600 -0.062 0.000 1.345 820 S CA -1.074 57.121 58.200 -0.009 0.000 1.031 820 S CB 0.896 64.050 63.200 -0.077 0.000 0.892 820 S HN -0.015 nan 8.310 nan 0.000 0.529 821 P HA -0.111 nan 4.420 nan 0.000 0.217 821 P C 0.900 178.080 177.300 -0.199 0.000 1.148 821 P CA 1.308 64.336 63.100 -0.119 0.000 0.828 821 P CB -0.030 31.604 31.700 -0.111 0.000 0.783 822 E N -2.014 117.953 120.200 -0.389 0.000 2.268 822 E HA -0.081 4.270 4.350 0.001 0.000 0.195 822 E C 0.780 177.029 176.600 -0.585 0.000 0.995 822 E CA 0.863 56.901 56.400 -0.603 0.000 0.836 822 E CB -0.537 28.443 29.700 -1.201 0.000 0.763 822 E HN 0.328 nan 8.360 nan 0.000 0.491 823 F N -0.339 119.533 119.950 -0.130 0.000 2.647 823 F HA 0.183 4.711 4.527 0.001 0.000 0.300 823 F C 1.769 177.497 175.800 -0.120 0.000 1.106 823 F CA -0.146 57.802 58.000 -0.087 0.000 1.313 823 F CB -0.063 38.996 39.000 0.098 0.000 1.007 823 F HN -0.043 nan 8.300 nan 0.000 0.536 824 S N -1.089 114.621 115.700 0.016 0.000 2.428 824 S HA 0.024 4.495 4.470 0.001 0.000 0.230 824 S C 0.880 175.449 174.600 -0.052 0.000 1.014 824 S CA 0.614 58.811 58.200 -0.005 0.000 0.957 824 S CB -0.348 62.837 63.200 -0.024 0.000 0.784 824 S HN 0.241 nan 8.310 nan 0.000 0.499 825 S N -1.189 114.456 115.700 -0.092 0.000 2.638 825 S HA 0.503 4.974 4.470 0.001 0.000 0.274 825 S C 0.561 175.066 174.600 -0.158 0.000 1.157 825 S CA -0.203 57.929 58.200 -0.113 0.000 0.826 825 S CB 0.947 64.104 63.200 -0.072 0.000 1.139 825 S HN 0.035 nan 8.310 nan 0.000 0.474 826 T N 1.301 115.761 114.554 -0.157 0.000 2.665 826 T HA -0.206 4.145 4.350 0.001 0.000 0.268 826 T C 1.771 176.417 174.700 -0.090 0.000 1.035 826 T CA 2.215 64.225 62.100 -0.149 0.000 1.151 826 T CB -0.601 68.206 68.868 -0.102 0.000 0.862 826 T HN 0.741 nan 8.240 nan 0.000 0.438 827 Q N 0.608 120.371 119.800 -0.062 0.000 2.050 827 Q HA -0.063 4.278 4.340 0.001 0.000 0.202 827 Q C 2.480 178.462 176.000 -0.031 0.000 0.980 827 Q CA 1.529 57.311 55.803 -0.035 0.000 0.840 827 Q CB -0.356 28.365 28.738 -0.028 0.000 0.898 827 Q HN 0.541 nan 8.270 nan 0.000 0.424 828 A N 0.684 123.476 122.820 -0.047 0.000 1.933 828 A HA -0.190 4.130 4.320 0.001 0.000 0.218 828 A C 2.038 179.606 177.584 -0.027 0.000 1.175 828 A CA 1.459 53.469 52.037 -0.045 0.000 0.628 828 A CB -0.482 18.474 19.000 -0.074 0.000 0.814 828 A HN 0.371 nan 8.150 nan 0.000 0.444 829 R N -0.233 120.243 120.500 -0.038 0.000 2.083 829 R HA -0.133 4.207 4.340 0.001 0.000 0.237 829 R C 2.250 178.570 176.300 0.034 0.000 1.137 829 R CA 1.844 57.961 56.100 0.028 0.000 0.951 829 R CB -0.280 29.974 30.300 -0.076 0.000 0.851 829 R HN 0.483 nan 8.270 nan 0.000 0.434 830 K N 0.462 120.858 120.400 -0.007 0.000 2.057 830 K HA -0.154 4.167 4.320 0.001 0.000 0.206 830 K C 2.033 178.663 176.600 0.050 0.000 1.050 830 K CA 1.340 57.635 56.287 0.013 0.000 0.935 830 K CB 0.001 32.526 32.500 0.042 0.000 0.715 830 K HN 0.290 nan 8.250 nan 0.000 0.439 831 E N -0.171 120.057 120.200 0.047 0.000 2.051 831 E HA -0.226 4.125 4.350 0.001 0.000 0.192 831 E C 1.914 178.561 176.600 0.079 0.000 0.991 831 E CA 1.323 57.755 56.400 0.053 0.000 0.799 831 E CB -0.172 29.549 29.700 0.035 0.000 0.748 831 E HN 0.302 nan 8.360 nan 0.000 0.449 832 Y N 1.380 121.652 120.300 -0.046 0.000 2.133 832 Y HA -0.174 4.376 4.550 0.001 0.000 0.287 832 Y C 1.971 177.887 175.900 0.026 0.000 1.134 832 Y CA 1.372 59.439 58.100 -0.054 0.000 1.133 832 Y CB -0.286 38.072 38.460 -0.170 0.000 0.987 832 Y HN -0.075 nan 8.280 nan 0.000 0.502 833 L N 0.306 121.516 121.223 -0.022 0.000 2.083 833 L HA -0.245 4.095 4.340 0.001 0.000 0.209 833 L C 1.986 178.951 176.870 0.159 0.000 1.083 833 L CA 1.396 56.230 54.840 -0.010 0.000 0.752 833 L CB -0.652 41.281 42.059 -0.210 0.000 0.899 833 L HN 0.229 nan 8.230 nan 0.000 0.433 834 N N -0.212 118.576 118.700 0.148 0.000 2.381 834 N HA -0.120 4.621 4.740 0.001 0.000 0.182 834 N C 1.569 177.136 175.510 0.094 0.000 1.025 834 N CA 0.800 53.969 53.050 0.198 0.000 0.888 834 N CB -0.029 38.547 38.487 0.149 0.000 0.965 834 N HN 0.185 nan 8.380 nan 0.000 0.438 835 K N 0.120 120.523 120.400 0.005 0.000 2.365 835 K HA 0.166 4.487 4.320 0.001 0.000 0.197 835 K C 1.646 178.195 176.600 -0.085 0.000 1.042 835 K CA 0.296 56.559 56.287 -0.040 0.000 0.987 835 K CB 0.049 32.512 32.500 -0.061 0.000 0.779 835 K HN 0.259 nan 8.250 nan 0.000 0.484 836 L N -1.287 119.864 121.223 -0.120 0.000 2.470 836 L HA 0.155 4.495 4.340 0.001 0.000 0.219 836 L C -0.196 176.502 176.870 -0.286 0.000 1.071 836 L CA 0.110 54.807 54.840 -0.238 0.000 0.850 836 L CB 0.308 42.140 42.059 -0.378 0.000 1.040 836 L HN -0.040 nan 8.230 nan 0.000 0.475 837 Y N 1.232 121.565 120.300 0.056 0.000 2.376 837 Y HA 0.360 4.911 4.550 0.001 0.000 0.326 837 Y C -2.225 173.709 175.900 0.056 0.000 0.970 837 Y CA -2.887 55.269 58.100 0.094 0.000 1.248 837 Y CB 0.866 39.470 38.460 0.239 0.000 1.117 837 Y HN -0.136 nan 8.280 nan 0.000 0.476 838 P HA 0.099 nan 4.420 nan 0.000 0.276 838 P C -0.255 177.076 177.300 0.052 0.000 1.244 838 P CA -0.572 62.572 63.100 0.073 0.000 0.801 838 P CB 1.155 32.880 31.700 0.041 0.000 1.006 839 M N 3.324 122.929 119.600 0.008 0.000 2.268 839 M HA 0.004 4.485 4.480 0.001 0.000 0.349 839 M C 0.739 177.037 176.300 -0.003 0.000 1.485 839 M CA 0.256 55.523 55.300 -0.055 0.000 1.094 839 M CB -0.013 32.532 32.600 -0.091 0.000 1.843 839 M HN 0.319 nan 8.290 nan 0.000 0.460 840 N N 4.861 123.597 118.700 0.061 0.000 2.197 840 N HA 0.093 4.833 4.740 0.001 0.000 0.228 840 N C -1.200 174.518 175.510 0.347 0.000 1.212 840 N CA -0.155 53.020 53.050 0.208 0.000 0.883 840 N CB 0.209 38.849 38.487 0.255 0.000 1.107 840 N HN 0.715 nan 8.380 nan 0.000 0.519 841 Y N -2.014 118.262 120.300 -0.040 0.000 2.750 841 Y HA 0.644 5.195 4.550 0.001 0.000 0.335 841 Y C -1.593 174.196 175.900 -0.184 0.000 1.252 841 Y CA -1.254 56.719 58.100 -0.212 0.000 1.064 841 Y CB 0.726 38.895 38.460 -0.485 0.000 1.321 841 Y HN -0.157 nan 8.280 nan 0.000 0.451 842 E N 0.706 120.810 120.200 -0.160 0.000 2.227 842 E HA 0.668 5.019 4.350 0.001 0.000 0.268 842 E C -0.672 175.852 176.600 -0.126 0.000 0.907 842 E CA -0.809 55.462 56.400 -0.216 0.000 0.786 842 E CB 2.169 31.790 29.700 -0.133 0.000 1.191 842 E HN 1.209 nan 8.360 nan 0.000 0.411 843 G N 1.814 110.525 108.800 -0.148 0.000 2.484 843 G HA2 -0.118 3.843 3.960 0.001 0.000 0.685 843 G HA3 -0.118 3.843 3.960 0.001 0.000 0.685 843 G C -1.434 173.469 174.900 0.005 0.000 1.294 843 G CA -0.973 44.098 45.100 -0.050 0.000 0.879 843 G HN 0.576 nan 8.290 nan 0.000 0.646 844 D N 0.222 120.654 120.400 0.054 0.000 2.494 844 D HA 0.619 5.260 4.640 0.001 0.000 0.217 844 D C 0.216 176.663 176.300 0.245 0.000 1.153 844 D CA 0.133 54.227 54.000 0.157 0.000 0.954 844 D CB -0.161 40.714 40.800 0.125 0.000 1.034 844 D HN 0.773 nan 8.370 nan 0.000 0.518 845 I N 2.040 122.824 120.570 0.356 0.000 2.842 845 I HA 0.286 4.457 4.170 0.001 0.000 0.296 845 I C -1.600 174.752 176.117 0.392 0.000 1.538 845 I CA -1.165 60.339 61.300 0.340 0.000 0.994 845 I CB 1.385 39.430 38.000 0.075 0.000 1.372 845 I HN 0.027 nan 8.210 nan 0.000 0.478 846 F N 6.330 126.417 119.950 0.229 0.000 2.467 846 F HA 0.738 5.266 4.527 0.001 0.000 0.362 846 F C -0.110 175.551 175.800 -0.231 0.000 1.090 846 F CA 0.177 58.144 58.000 -0.055 0.000 1.202 846 F CB 0.773 39.455 39.000 -0.530 0.000 1.113 846 F HN 0.462 nan 8.300 nan 0.000 0.541 847 A N 6.062 128.093 122.820 -1.315 0.000 2.549 847 A HA 0.633 4.954 4.320 0.001 0.000 0.297 847 A C -1.523 175.496 177.584 -0.941 0.000 1.061 847 A CA -0.686 50.685 52.037 -1.110 0.000 0.690 847 A CB 1.767 19.945 19.000 -1.371 0.000 1.287 847 A HN 0.757 nan 8.150 nan 0.000 0.402 848 Q N 0.716 120.358 119.800 -0.263 0.000 2.309 848 Q HA 0.493 4.833 4.340 0.001 0.000 0.273 848 Q C -1.511 174.451 176.000 -0.063 0.000 1.040 848 Q CA -0.586 55.152 55.803 -0.109 0.000 0.834 848 Q CB 2.075 30.784 28.738 -0.048 0.000 1.345 848 Q HN 0.712 nan 8.270 nan 0.000 0.414 849 K N 3.873 123.970 120.400 -0.504 0.000 2.206 849 K HA 0.560 4.880 4.320 0.001 0.000 0.264 849 K C -1.420 175.029 176.600 -0.251 0.000 0.967 849 K CA -0.463 55.366 56.287 -0.764 0.000 0.844 849 K CB 0.895 32.439 32.500 -1.593 0.000 1.099 849 K HN 0.595 nan 8.250 nan 0.000 0.441 850 L N 4.726 125.939 121.223 -0.016 0.000 2.381 850 L HA 0.216 4.556 4.340 0.001 0.000 0.274 850 L C -0.017 176.897 176.870 0.073 0.000 0.988 850 L CA -0.479 54.401 54.840 0.066 0.000 0.824 850 L CB 1.668 43.842 42.059 0.192 0.000 1.263 850 L HN 1.047 nan 8.230 nan 0.000 0.410 851 D N 1.973 122.390 120.400 0.028 0.000 3.740 851 D HA -0.384 4.256 4.640 0.001 0.000 0.147 851 D C 0.291 176.616 176.300 0.043 0.000 0.885 851 D CA 1.963 55.990 54.000 0.045 0.000 1.051 851 D CB -0.401 40.448 40.800 0.081 0.000 0.480 851 D HN 0.662 nan 8.370 nan 0.000 0.469 852 N N 0.119 118.879 118.700 0.100 0.000 2.295 852 N HA 0.221 4.962 4.740 0.001 0.000 0.221 852 N C -0.552 175.111 175.510 0.255 0.000 1.129 852 N CA -0.223 52.930 53.050 0.172 0.000 0.836 852 N CB 0.195 38.759 38.487 0.128 0.000 1.040 852 N HN 0.185 nan 8.380 nan 0.000 0.494 853 R N -0.034 120.557 120.500 0.153 0.000 2.480 853 R HA 0.265 4.606 4.340 0.001 0.000 0.306 853 R C -1.376 174.929 176.300 0.008 0.000 0.958 853 R CA -0.614 55.561 56.100 0.125 0.000 0.861 853 R CB 1.389 31.702 30.300 0.023 0.000 1.171 853 R HN 0.157 nan 8.270 nan 0.000 0.445 854 W N 3.457 124.837 121.300 0.135 0.000 2.361 854 W HA 0.356 5.017 4.660 0.001 0.000 0.309 854 W C -0.543 175.997 176.519 0.036 0.000 1.122 854 W CA -0.334 57.050 57.345 0.065 0.000 1.208 854 W CB 0.848 30.263 29.460 -0.075 0.000 1.246 854 W HN 0.418 nan 8.180 nan 0.000 0.490 855 F N 3.497 123.700 119.950 0.421 0.000 2.436 855 F HA 0.626 5.153 4.527 0.001 0.000 0.340 855 F C -0.027 176.004 175.800 0.386 0.000 1.113 855 F CA -1.057 57.178 58.000 0.393 0.000 1.022 855 F CB 1.072 40.291 39.000 0.365 0.000 1.128 855 F HN -0.193 nan 8.300 nan 0.000 0.466 856 V N 3.707 123.988 119.914 0.613 0.000 2.808 856 V HA 0.518 4.638 4.120 0.001 0.000 0.308 856 V C -1.299 175.221 176.094 0.710 0.000 1.099 856 V CA -0.985 61.558 62.300 0.405 0.000 0.920 856 V CB 1.940 33.825 31.823 0.104 0.000 1.014 856 V HN 0.627 nan 8.190 nan 0.000 0.425 857 Y N 1.604 122.283 120.300 0.631 0.000 2.597 857 Y HA 0.615 5.165 4.550 0.001 0.000 0.340 857 Y C -0.779 175.435 175.900 0.525 0.000 1.097 857 Y CA -1.718 56.783 58.100 0.669 0.000 1.037 857 Y CB 1.383 40.188 38.460 0.576 0.000 1.305 857 Y HN 0.556 nan 8.280 nan 0.000 0.463 858 N N 1.811 120.982 118.700 0.785 0.000 2.458 858 N HA 0.024 4.765 4.740 0.001 0.000 0.270 858 N C -0.162 175.651 175.510 0.505 0.000 1.102 858 N CA -0.198 53.124 53.050 0.453 0.000 0.967 858 N CB 0.565 39.236 38.487 0.306 0.000 1.078 858 N HN 0.910 nan 8.380 nan 0.000 0.471 859 Y N 1.982 122.548 120.300 0.444 0.000 2.466 859 Y HA 0.375 4.926 4.550 0.001 0.000 0.272 859 Y C 0.231 176.266 175.900 0.224 0.000 1.169 859 Y CA -0.607 57.746 58.100 0.422 0.000 1.285 859 Y CB 0.044 38.757 38.460 0.421 0.000 1.078 859 Y HN 0.096 nan 8.280 nan 0.000 0.523 860 K N 1.321 121.723 120.400 0.004 0.000 2.401 860 K HA 0.098 4.419 4.320 0.001 0.000 0.278 860 K C 0.768 177.446 176.600 0.130 0.000 1.018 860 K CA 0.144 56.455 56.287 0.040 0.000 0.981 860 K CB 2.366 34.835 32.500 -0.052 0.000 0.933 860 K HN 0.198 nan 8.250 nan 0.000 0.477 861 V N 1.820 121.855 119.914 0.201 0.000 2.436 861 V HA -0.058 4.063 4.120 0.001 0.000 0.240 861 V C 1.256 177.599 176.094 0.415 0.000 1.040 861 V CA 1.203 63.675 62.300 0.287 0.000 1.052 861 V CB -0.206 31.719 31.823 0.169 0.000 0.707 861 V HN 0.860 nan 8.190 nan 0.000 0.469 862 N N 0.203 119.076 118.700 0.288 0.000 2.475 862 N HA 0.152 4.892 4.740 0.001 0.000 0.272 862 N C -0.985 174.783 175.510 0.431 0.000 1.482 862 N CA -0.001 53.230 53.050 0.302 0.000 0.863 862 N CB 0.564 39.050 38.487 -0.002 0.000 1.400 862 N HN 0.348 nan 8.380 nan 0.000 0.489 863 E N 0.324 120.783 120.200 0.431 0.000 2.246 863 E HA 0.205 4.555 4.350 0.001 0.000 0.266 863 E C -1.056 175.506 176.600 -0.064 0.000 0.880 863 E CA -0.699 55.809 56.400 0.179 0.000 0.762 863 E CB 1.196 30.934 29.700 0.062 0.000 1.180 863 E HN 0.041 nan 8.360 nan 0.000 0.416 864 N N 2.577 120.928 118.700 -0.581 0.000 2.968 864 N HA 0.171 4.912 4.740 0.001 0.000 0.271 864 N C -1.581 173.691 175.510 -0.396 0.000 1.174 864 N CA -0.033 52.447 53.050 -0.948 0.000 1.096 864 N CB 0.144 37.710 38.487 -1.535 0.000 1.403 864 N HN 0.211 nan 8.380 nan 0.000 0.522 865 V N 2.464 122.243 119.914 -0.225 0.000 2.577 865 V HA 0.294 4.415 4.120 0.001 0.000 0.303 865 V C 0.175 176.210 176.094 -0.098 0.000 1.042 865 V CA -1.002 61.214 62.300 -0.141 0.000 0.872 865 V CB 1.841 33.595 31.823 -0.114 0.000 0.998 865 V HN 0.283 nan 8.190 nan 0.000 0.423 866 K N 2.985 123.347 120.400 -0.063 0.000 2.295 866 K HA 0.444 4.765 4.320 0.001 0.000 0.270 866 K C -0.209 176.380 176.600 -0.018 0.000 1.011 866 K CA 0.188 56.467 56.287 -0.013 0.000 0.953 866 K CB 0.502 33.004 32.500 0.002 0.000 0.956 866 K HN 0.685 nan 8.250 nan 0.000 0.477 867 Q N 0.197 120.009 119.800 0.019 0.000 2.413 867 Q HA 0.508 4.849 4.340 0.001 0.000 0.276 867 Q C -1.098 174.901 176.000 -0.001 0.000 1.099 867 Q CA -1.006 54.791 55.803 -0.009 0.000 0.814 867 Q CB 2.415 31.130 28.738 -0.038 0.000 1.379 867 Q HN 0.783 nan 8.270 nan 0.000 0.436 868 T N -2.214 112.322 114.554 -0.031 0.000 2.909 868 T HA 0.897 5.248 4.350 0.001 0.000 0.299 868 T C -0.318 174.330 174.700 -0.086 0.000 1.073 868 T CA -0.728 61.333 62.100 -0.065 0.000 0.999 868 T CB 1.991 70.834 68.868 -0.043 0.000 1.098 868 T HN 0.742 nan 8.240 nan 0.000 0.477 869 G N 0.565 109.275 108.800 -0.150 0.000 2.677 869 G HA2 0.605 4.566 3.960 0.001 0.000 0.291 869 G HA3 0.605 4.566 3.960 0.001 0.000 0.291 869 G C -2.011 172.759 174.900 -0.217 0.000 1.435 869 G CA -1.065 43.948 45.100 -0.145 0.000 0.826 869 G HN 0.835 nan 8.290 nan 0.000 0.491 870 K N 0.733 121.013 120.400 -0.201 0.000 2.413 870 K HA 0.645 4.965 4.320 0.001 0.000 0.257 870 K C -1.042 175.335 176.600 -0.372 0.000 0.946 870 K CA -0.748 55.389 56.287 -0.250 0.000 0.823 870 K CB 1.091 33.495 32.500 -0.159 0.000 1.109 870 K HN 0.223 nan 8.250 nan 0.000 0.427 871 L N 3.300 124.189 121.223 -0.558 0.000 2.342 871 L HA 0.559 4.900 4.340 0.001 0.000 0.271 871 L C -0.461 176.063 176.870 -0.576 0.000 1.008 871 L CA -0.744 53.511 54.840 -0.974 0.000 0.818 871 L CB 1.514 42.593 42.059 -1.634 0.000 1.296 871 L HN 0.695 nan 8.230 nan 0.000 0.427 872 K N 1.895 122.072 120.400 -0.372 0.000 2.316 872 K HA 0.625 4.946 4.320 0.001 0.000 0.251 872 K C -1.447 175.162 176.600 0.016 0.000 0.934 872 K CA -0.341 55.904 56.287 -0.070 0.000 0.802 872 K CB 2.145 34.666 32.500 0.036 0.000 1.171 872 K HN 0.236 nan 8.250 nan 0.000 0.426 873 F N 2.730 122.821 119.950 0.235 0.000 2.451 873 F HA 0.253 4.781 4.527 0.001 0.000 0.367 873 F C 0.448 176.335 175.800 0.146 0.000 1.100 873 F CA -0.640 57.495 58.000 0.223 0.000 1.171 873 F CB 0.221 39.348 39.000 0.212 0.000 1.405 873 F HN 0.725 nan 8.300 nan 0.000 0.482 874 N N 0.233 119.089 118.700 0.261 0.000 1.188 874 N HA -0.339 4.402 4.740 0.001 0.000 0.128 874 N C 1.409 177.014 175.510 0.159 0.000 0.759 874 N CA 2.074 55.229 53.050 0.175 0.000 0.905 874 N CB -0.906 37.676 38.487 0.158 0.000 1.156 874 N HN 0.371 nan 8.380 nan 0.000 0.553 875 S N -0.733 115.050 115.700 0.138 0.000 2.382 875 S HA -0.057 4.414 4.470 0.001 0.000 0.228 875 S C 0.640 175.315 174.600 0.126 0.000 1.027 875 S CA 0.649 58.914 58.200 0.108 0.000 0.991 875 S CB -0.209 63.043 63.200 0.087 0.000 0.823 875 S HN 0.385 nan 8.310 nan 0.000 0.469 876 L N 2.940 124.277 121.223 0.189 0.000 2.462 876 L HA 0.161 4.502 4.340 0.001 0.000 0.272 876 L C -0.081 176.918 176.870 0.216 0.000 1.166 876 L CA 0.414 55.378 54.840 0.206 0.000 0.880 876 L CB 0.068 42.295 42.059 0.280 0.000 1.142 876 L HN 0.092 nan 8.230 nan 0.000 0.473 877 E N 5.720 125.988 120.200 0.114 0.000 2.179 877 E HA 0.437 4.788 4.350 0.001 0.000 0.275 877 E C -0.843 175.769 176.600 0.019 0.000 0.945 877 E CA -0.503 55.922 56.400 0.043 0.000 0.792 877 E CB 1.977 31.676 29.700 -0.001 0.000 1.125 877 E HN 0.618 nan 8.360 nan 0.000 0.397 878 M N 3.931 123.496 119.600 -0.058 0.000 2.151 878 M HA 0.338 4.819 4.480 0.001 0.000 0.290 878 M C -1.720 174.448 176.300 -0.219 0.000 0.965 878 M CA -0.496 54.740 55.300 -0.106 0.000 0.930 878 M CB 0.991 33.550 32.600 -0.069 0.000 1.560 878 M HN 0.371 nan 8.290 nan 0.000 0.438 879 N N 4.152 122.753 118.700 -0.166 0.000 2.430 879 N HA 0.609 5.349 4.740 0.001 0.000 0.292 879 N C -0.966 174.438 175.510 -0.178 0.000 1.051 879 N CA -0.350 52.595 53.050 -0.176 0.000 0.917 879 N CB 2.524 40.946 38.487 -0.107 0.000 1.164 879 N HN 0.572 nan 8.380 nan 0.000 0.484 880 V N -1.024 118.759 119.914 -0.218 0.000 2.914 880 V HA 0.628 4.749 4.120 0.001 0.000 0.314 880 V C -0.519 175.533 176.094 -0.069 0.000 1.084 880 V CA -0.870 61.338 62.300 -0.152 0.000 0.963 880 V CB 2.211 33.830 31.823 -0.340 0.000 1.025 880 V HN 0.726 nan 8.190 nan 0.000 0.432 881 E N 2.199 122.466 120.200 0.112 0.000 2.244 881 E HA 0.596 4.947 4.350 0.001 0.000 0.260 881 E C -2.216 174.634 176.600 0.416 0.000 0.884 881 E CA -0.567 55.926 56.400 0.155 0.000 0.777 881 E CB 1.591 31.349 29.700 0.098 0.000 1.197 881 E HN 0.636 nan 8.360 nan 0.000 0.416 882 F N 2.417 122.398 119.950 0.051 0.000 2.493 882 F HA 0.355 4.883 4.527 0.001 0.000 0.329 882 F C 0.610 176.440 175.800 0.050 0.000 1.126 882 F CA -1.113 56.936 58.000 0.081 0.000 0.937 882 F CB 1.672 40.748 39.000 0.127 0.000 1.146 882 F HN 0.450 nan 8.300 nan 0.000 0.442 883 E N 3.814 124.114 120.200 0.167 0.000 2.391 883 E HA 0.182 4.533 4.350 0.001 0.000 0.255 883 E C -2.260 174.393 176.600 0.088 0.000 1.187 883 E CA -1.529 54.926 56.400 0.092 0.000 0.941 883 E CB 0.242 29.982 29.700 0.068 0.000 1.010 883 E HN 0.214 nan 8.360 nan 0.000 0.458 884 P HA -0.096 nan 4.420 nan 0.000 0.267 884 P C -1.195 176.022 177.300 -0.139 0.000 1.201 884 P CA 0.721 63.720 63.100 -0.168 0.000 0.775 884 P CB 0.128 31.675 31.700 -0.254 0.000 0.854 885 H N -2.040 117.148 119.070 0.197 0.000 2.748 885 H HA -0.111 4.446 4.556 0.001 0.000 0.322 885 H C -0.682 174.724 175.328 0.129 0.000 1.208 885 H CA 0.520 56.659 56.048 0.151 0.000 1.151 885 H CB -2.622 27.200 29.762 0.101 0.000 1.505 885 H HN 0.243 nan 8.280 nan 0.000 0.429 886 T N 0.984 115.659 114.554 0.203 0.000 2.991 886 T HA 0.488 4.839 4.350 0.001 0.000 0.303 886 T C -0.611 174.253 174.700 0.274 0.000 1.015 886 T CA -0.934 61.187 62.100 0.035 0.000 1.007 886 T CB 1.214 69.943 68.868 -0.232 0.000 1.034 886 T HN 0.400 nan 8.240 nan 0.000 0.446 887 Y N 0.173 120.566 120.300 0.155 0.000 2.536 887 Y HA 0.939 5.489 4.550 0.001 0.000 0.347 887 Y C -0.061 175.988 175.900 0.249 0.000 1.000 887 Y CA -1.357 56.986 58.100 0.404 0.000 1.051 887 Y CB 1.534 40.230 38.460 0.395 0.000 1.259 887 Y HN 0.813 nan 8.280 nan 0.000 0.468 888 G N 1.713 110.855 108.800 0.570 0.000 2.619 888 G HA2 0.694 4.655 3.960 0.001 0.000 0.296 888 G HA3 0.694 4.655 3.960 0.001 0.000 0.296 888 G C -2.042 172.759 174.900 -0.165 0.000 1.334 888 G CA -1.162 43.966 45.100 0.047 0.000 0.934 888 G HN 0.740 nan 8.290 nan 0.000 0.476 889 I N 0.323 120.461 120.570 -0.719 0.000 2.478 889 I HA 0.402 4.573 4.170 0.001 0.000 0.287 889 I C -1.374 174.258 176.117 -0.808 0.000 1.042 889 I CA -0.507 60.371 61.300 -0.703 0.000 1.067 889 I CB 2.065 39.591 38.000 -0.790 0.000 1.233 889 I HN 0.253 nan 8.210 nan 0.000 0.431 890 F N 4.451 124.355 119.950 -0.077 0.000 2.445 890 F HA 0.422 4.950 4.527 0.001 0.000 0.348 890 F C 0.192 176.083 175.800 0.152 0.000 1.125 890 F CA -0.593 57.463 58.000 0.094 0.000 0.983 890 F CB 1.469 40.654 39.000 0.307 0.000 1.198 890 F HN 0.392 nan 8.300 nan 0.000 0.436 891 E N 3.077 123.340 120.200 0.105 0.000 2.165 891 E HA 0.419 4.770 4.350 0.001 0.000 0.266 891 E C -0.622 175.911 176.600 -0.112 0.000 0.889 891 E CA -1.190 55.234 56.400 0.040 0.000 0.756 891 E CB 1.039 30.731 29.700 -0.012 0.000 1.131 891 E HN 0.461 nan 8.360 nan 0.000 0.411 892 R N 4.883 125.238 120.500 -0.242 0.000 2.316 892 R HA 0.264 4.605 4.340 0.001 0.000 0.314 892 R C -0.416 175.794 176.300 -0.150 0.000 1.069 892 R CA 0.095 55.982 56.100 -0.354 0.000 0.959 892 R CB -0.107 29.934 30.300 -0.432 0.000 0.987 892 R HN 0.560 nan 8.270 nan 0.000 0.446 893 I N 0.607 121.078 120.570 -0.166 0.000 3.067 893 I HA 0.452 4.623 4.170 0.001 0.000 0.312 893 I C 0.982 176.992 176.117 -0.177 0.000 1.073 893 I CA -0.809 60.411 61.300 -0.133 0.000 1.016 893 I CB 2.255 40.186 38.000 -0.114 0.000 1.227 893 I HN 0.617 nan 8.210 nan 0.000 0.456 894 S N 1.120 116.726 115.700 -0.156 0.000 2.399 894 S HA -0.180 4.290 4.470 0.001 0.000 0.231 894 S C 1.090 175.548 174.600 -0.238 0.000 1.022 894 S CA 1.346 59.450 58.200 -0.160 0.000 0.983 894 S CB -0.830 62.294 63.200 -0.128 0.000 0.803 894 S HN 0.898 nan 8.310 nan 0.000 0.480 895 N N 1.484 119.994 118.700 -0.316 0.000 2.238 895 N HA 0.429 5.170 4.740 0.001 0.000 0.222 895 N C 0.703 175.876 175.510 -0.561 0.000 1.133 895 N CA 0.411 53.206 53.050 -0.427 0.000 0.854 895 N CB 0.471 38.633 38.487 -0.541 0.000 1.041 895 N HN 0.576 nan 8.380 nan 0.000 0.510 896 G N -0.125 108.283 108.800 -0.653 0.000 2.451 896 G HA2 0.209 4.170 3.960 0.001 0.000 0.083 896 G HA3 0.209 4.170 3.960 0.001 0.000 0.083 896 G C -2.193 172.409 174.900 -0.497 0.000 1.107 896 G CA -0.421 43.997 45.100 -1.138 0.000 1.117 896 G HN 0.290 nan 8.290 nan 0.000 0.454 897 L N 0.288 121.447 121.223 -0.107 0.000 2.470 897 L HA 0.838 5.179 4.340 0.001 0.000 0.268 897 L C -0.688 176.195 176.870 0.021 0.000 0.964 897 L CA -0.732 54.122 54.840 0.024 0.000 0.839 897 L CB 2.053 44.257 42.059 0.241 0.000 1.276 897 L HN 0.732 nan 8.230 nan 0.000 0.403 898 K N 3.386 123.761 120.400 -0.042 0.000 2.172 898 K HA 0.732 5.053 4.320 0.001 0.000 0.276 898 K C -1.629 174.849 176.600 -0.202 0.000 1.013 898 K CA -0.300 55.928 56.287 -0.099 0.000 0.913 898 K CB 1.385 33.847 32.500 -0.063 0.000 1.055 898 K HN 0.384 nan 8.250 nan 0.000 0.461 899 V N 5.219 124.877 119.914 -0.426 0.000 2.531 899 V HA 0.450 4.570 4.120 0.001 0.000 0.301 899 V C -0.701 175.029 176.094 -0.607 0.000 1.034 899 V CA -0.949 60.969 62.300 -0.635 0.000 0.865 899 V CB 1.817 33.035 31.823 -1.009 0.000 0.995 899 V HN 0.842 nan 8.190 nan 0.000 0.424 900 N N 3.817 122.178 118.700 -0.565 0.000 2.314 900 N HA 0.691 5.431 4.740 0.001 0.000 0.294 900 N C -1.590 173.645 175.510 -0.459 0.000 1.029 900 N CA -0.488 52.313 53.050 -0.415 0.000 0.845 900 N CB 3.000 41.289 38.487 -0.332 0.000 1.321 900 N HN 0.479 nan 8.380 nan 0.000 0.481 901 L N 2.577 123.587 121.223 -0.354 0.000 2.436 901 L HA 0.509 4.849 4.340 0.001 0.000 0.268 901 L C -1.340 175.297 176.870 -0.388 0.000 0.974 901 L CA -0.485 54.142 54.840 -0.355 0.000 0.826 901 L CB 1.841 43.773 42.059 -0.212 0.000 1.291 901 L HN 0.454 nan 8.230 nan 0.000 0.406 902 N N 3.073 121.405 118.700 -0.614 0.000 2.461 902 N HA 0.403 5.143 4.740 0.001 0.000 0.284 902 N C -1.189 174.069 175.510 -0.420 0.000 1.049 902 N CA -0.254 52.461 53.050 -0.558 0.000 0.889 902 N CB 1.463 39.465 38.487 -0.808 0.000 1.365 902 N HN 0.756 nan 8.380 nan 0.000 0.499 903 N N 3.305 121.920 118.700 -0.143 0.000 2.377 903 N HA 0.059 4.800 4.740 0.001 0.000 0.259 903 N C -0.672 174.906 175.510 0.113 0.000 1.332 903 N CA -0.442 52.595 53.050 -0.022 0.000 0.877 903 N CB -0.606 37.848 38.487 -0.054 0.000 1.299 903 N HN 0.224 nan 8.380 nan 0.000 0.501 904 F N 2.534 122.478 119.950 -0.010 0.000 2.571 904 F HA 0.299 4.827 4.527 0.001 0.000 0.384 904 F C 0.462 176.307 175.800 0.076 0.000 1.058 904 F CA -0.205 57.823 58.000 0.047 0.000 1.200 904 F CB 0.410 39.437 39.000 0.045 0.000 1.077 904 F HN 0.180 nan 8.300 nan 0.000 0.558 905 R N 4.670 124.925 120.500 -0.408 0.000 2.549 905 R HA 0.243 4.584 4.340 0.001 0.000 0.291 905 R C -0.915 175.158 176.300 -0.379 0.000 1.164 905 R CA -0.378 55.508 56.100 -0.357 0.000 0.973 905 R CB 0.919 31.144 30.300 -0.125 0.000 1.210 905 R HN 0.794 nan 8.270 nan 0.000 0.422 906 T N 0.400 114.700 114.554 -0.424 0.000 2.847 906 T HA 0.242 4.593 4.350 0.001 0.000 0.279 906 T C 0.221 174.851 174.700 -0.116 0.000 0.984 906 T CA -0.728 61.238 62.100 -0.224 0.000 0.988 906 T CB 1.110 69.888 68.868 -0.150 0.000 1.040 906 T HN 0.453 nan 8.240 nan 0.000 0.528 907 N N 0.716 119.385 118.700 -0.051 0.000 2.414 907 N HA 0.229 4.970 4.740 0.001 0.000 0.256 907 N C 0.312 175.811 175.510 -0.019 0.000 1.029 907 N CA -0.603 52.427 53.050 -0.033 0.000 0.948 907 N CB 0.751 39.242 38.487 0.005 0.000 1.102 907 N HN 0.463 nan 8.380 nan 0.000 0.496 908 K N 2.190 122.546 120.400 -0.073 0.000 2.372 908 K HA 0.091 4.412 4.320 0.001 0.000 0.200 908 K C 0.045 176.620 176.600 -0.041 0.000 1.022 908 K CA -0.051 56.168 56.287 -0.114 0.000 1.125 908 K CB 0.509 32.867 32.500 -0.236 0.000 0.855 908 K HN 0.522 nan 8.250 nan 0.000 0.524 909 D N 1.068 121.474 120.400 0.011 0.000 2.182 909 D HA -0.139 4.502 4.640 0.001 0.000 0.201 909 D C 1.779 178.106 176.300 0.045 0.000 0.986 909 D CA 1.362 55.403 54.000 0.069 0.000 0.847 909 D CB 0.040 40.862 40.800 0.037 0.000 0.942 909 D HN 0.205 nan 8.370 nan 0.000 0.467 910 S N 0.000 115.691 115.700 -0.015 0.000 2.419 910 S HA -0.128 4.343 4.470 0.001 0.000 0.235 910 S C 2.108 176.598 174.600 -0.183 0.000 1.019 910 S CA 0.565 58.736 58.200 -0.049 0.000 0.982 910 S CB -0.605 62.594 63.200 -0.002 0.000 0.789 910 S HN 0.275 nan 8.310 nan 0.000 0.490 911 L N -1.416 119.566 121.223 -0.401 0.000 2.201 911 L HA 0.095 4.436 4.340 0.001 0.000 0.212 911 L C 1.701 178.098 176.870 -0.789 0.000 1.105 911 L CA 0.915 55.269 54.840 -0.810 0.000 0.775 911 L CB -0.338 40.952 42.059 -1.281 0.000 0.913 911 L HN 0.427 nan 8.230 nan 0.000 0.440 912 W N -0.812 120.420 121.300 -0.114 0.000 3.123 912 W HA 0.184 4.845 4.660 0.001 0.000 0.383 912 W C 1.412 177.964 176.519 0.054 0.000 1.102 912 W CA -0.518 56.843 57.345 0.025 0.000 1.865 912 W CB 0.064 29.585 29.460 0.102 0.000 1.111 912 W HN -0.060 nan 8.180 nan 0.000 0.621 913 S N 1.174 116.947 115.700 0.121 0.000 2.576 913 S HA 0.026 4.497 4.470 0.001 0.000 0.272 913 S C 1.028 175.684 174.600 0.093 0.000 1.352 913 S CA 0.205 58.462 58.200 0.096 0.000 1.021 913 S CB 0.485 63.702 63.200 0.028 0.000 0.887 913 S HN 0.430 nan 8.310 nan 0.000 0.542 914 N N -1.146 117.604 118.700 0.084 0.000 2.909 914 N HA -0.150 4.591 4.740 0.001 0.000 0.242 914 N C -0.345 175.217 175.510 0.086 0.000 0.975 914 N CA 1.451 54.540 53.050 0.065 0.000 0.921 914 N CB -1.813 36.692 38.487 0.031 0.000 1.112 914 N HN 1.169 nan 8.380 nan 0.000 0.581 915 A N 0.285 123.199 122.820 0.155 0.000 2.375 915 A HA 0.569 4.889 4.320 0.001 0.000 0.291 915 A C 0.869 178.591 177.584 0.231 0.000 1.160 915 A CA -0.545 51.582 52.037 0.151 0.000 0.747 915 A CB 0.979 20.089 19.000 0.183 0.000 1.170 915 A HN 0.002 nan 8.150 nan 0.000 0.458 916 Q N 0.893 120.782 119.800 0.148 0.000 2.398 916 Q HA 0.090 4.431 4.340 0.001 0.000 0.204 916 Q C -0.206 175.950 176.000 0.260 0.000 0.932 916 Q CA 1.030 56.948 55.803 0.191 0.000 0.916 916 Q CB 0.230 29.032 28.738 0.108 0.000 1.024 916 Q HN 0.944 nan 8.270 nan 0.000 0.504 917 D N -2.386 118.079 120.400 0.107 0.000 2.626 917 D HA 0.441 5.082 4.640 0.001 0.000 0.278 917 D C 0.285 176.280 176.300 -0.508 0.000 1.211 917 D CA -0.232 53.776 54.000 0.014 0.000 0.903 917 D CB 0.193 41.003 40.800 0.017 0.000 1.408 917 D HN -0.159 nan 8.370 nan 0.000 0.454 918 A N 0.192 122.701 122.820 -0.517 0.000 1.933 918 A HA -0.219 4.101 4.320 0.001 0.000 0.218 918 A C 1.816 179.084 177.584 -0.528 0.000 1.175 918 A CA 1.750 53.274 52.037 -0.855 0.000 0.628 918 A CB -1.090 17.637 19.000 -0.454 0.000 0.814 918 A HN 0.713 nan 8.150 nan 0.000 0.444 919 N N -0.441 118.083 118.700 -0.293 0.000 2.069 919 N HA -0.240 4.500 4.740 0.001 0.000 0.191 919 N C 1.940 177.337 175.510 -0.187 0.000 1.031 919 N CA 1.908 54.843 53.050 -0.192 0.000 0.852 919 N CB -0.156 38.261 38.487 -0.116 0.000 1.018 919 N HN 0.695 nan 8.380 nan 0.000 0.423 920 Q N 0.144 119.828 119.800 -0.193 0.000 2.079 920 Q HA -0.033 4.307 4.340 0.001 0.000 0.200 920 Q C 2.239 178.147 176.000 -0.153 0.000 0.974 920 Q CA 1.382 57.104 55.803 -0.135 0.000 0.840 920 Q CB -0.141 28.549 28.738 -0.081 0.000 0.898 920 Q HN 0.432 nan 8.270 nan 0.000 0.430 921 A N 1.821 124.447 122.820 -0.323 0.000 1.908 921 A HA -0.255 4.066 4.320 0.001 0.000 0.218 921 A C 2.032 179.571 177.584 -0.076 0.000 1.181 921 A CA 1.737 53.639 52.037 -0.224 0.000 0.627 921 A CB -0.510 18.027 19.000 -0.771 0.000 0.818 921 A HN 0.238 nan 8.150 nan 0.000 0.445 922 K N -0.173 120.122 120.400 -0.176 0.000 2.152 922 K HA -0.143 4.178 4.320 0.001 0.000 0.206 922 K C 1.470 178.053 176.600 -0.027 0.000 1.048 922 K CA 1.667 57.908 56.287 -0.076 0.000 0.933 922 K CB -0.119 32.314 32.500 -0.113 0.000 0.721 922 K HN 0.453 nan 8.250 nan 0.000 0.447 923 K N 0.381 120.755 120.400 -0.044 0.000 2.404 923 K HA 0.146 4.467 4.320 0.001 0.000 0.194 923 K C 0.131 176.722 176.600 -0.016 0.000 1.023 923 K CA -0.256 56.014 56.287 -0.027 0.000 1.094 923 K CB 0.219 32.697 32.500 -0.037 0.000 0.841 923 K HN 0.093 nan 8.250 nan 0.000 0.523 924 L N 3.105 124.324 121.223 -0.008 0.000 2.492 924 L HA 0.036 4.376 4.340 0.001 0.000 0.280 924 L C -1.847 175.004 176.870 -0.031 0.000 1.240 924 L CA -1.588 53.241 54.840 -0.018 0.000 0.831 924 L CB -0.214 41.834 42.059 -0.018 0.000 1.100 924 L HN -0.025 nan 8.230 nan 0.000 0.505 925 P HA -0.022 nan 4.420 nan 0.000 0.268 925 P C -1.086 176.174 177.300 -0.066 0.000 1.204 925 P CA -0.328 62.746 63.100 -0.043 0.000 0.768 925 P CB 0.442 32.117 31.700 -0.042 0.000 0.842 926 Q N 1.857 121.628 119.800 -0.047 0.000 2.286 926 Q HA -0.031 4.310 4.340 0.001 0.000 0.290 926 Q C 1.103 177.041 176.000 -0.103 0.000 1.049 926 Q CA -0.022 55.744 55.803 -0.063 0.000 0.923 926 Q CB 0.530 29.254 28.738 -0.024 0.000 1.183 926 Q HN 0.432 nan 8.270 nan 0.000 0.383 927 L N 3.255 124.374 121.223 -0.173 0.000 2.093 927 L HA -0.146 4.194 4.340 0.001 0.000 0.208 927 L C 0.455 177.248 176.870 -0.129 0.000 1.085 927 L CA 2.215 56.931 54.840 -0.208 0.000 0.755 927 L CB -0.534 41.298 42.059 -0.379 0.000 0.904 927 L HN 1.106 nan 8.230 nan 0.000 0.435 928 T N -4.654 109.842 114.554 -0.096 0.000 0.541 928 T HA -0.302 4.048 4.350 0.001 0.000 0.774 928 T C 0.755 175.449 174.700 -0.010 0.000 0.992 928 T CA 0.863 62.945 62.100 -0.029 0.000 4.077 928 T CB -1.031 67.836 68.868 -0.003 0.000 2.303 928 T HN 0.549 nan 8.240 nan 0.000 0.398 929 K N 1.387 121.808 120.400 0.035 0.000 2.002 929 K HA -0.058 4.263 4.320 0.001 0.000 0.209 929 K C 2.386 179.028 176.600 0.071 0.000 1.048 929 K CA 1.682 58.011 56.287 0.070 0.000 0.930 929 K CB -0.287 32.169 32.500 -0.074 0.000 0.714 929 K HN 0.666 nan 8.250 nan 0.000 0.438 930 K N -0.302 120.136 120.400 0.064 0.000 2.063 930 K HA -0.109 4.211 4.320 0.001 0.000 0.208 930 K C 2.191 178.858 176.600 0.111 0.000 1.048 930 K CA 1.422 57.795 56.287 0.143 0.000 0.928 930 K CB -0.306 32.296 32.500 0.169 0.000 0.713 930 K HN 0.398 nan 8.250 nan 0.000 0.442 931 G N 0.977 109.810 108.800 0.055 0.000 2.422 931 G HA2 -0.248 3.712 3.960 0.001 0.000 0.218 931 G HA3 -0.248 3.712 3.960 0.001 0.000 0.218 931 G C 1.598 176.507 174.900 0.016 0.000 1.146 931 G CA 0.918 46.035 45.100 0.028 0.000 0.769 931 G HN 0.358 nan 8.290 nan 0.000 0.547 932 A N 0.679 123.466 122.820 -0.055 0.000 1.898 932 A HA 0.122 4.442 4.320 0.001 0.000 0.216 932 A C 2.378 180.002 177.584 0.066 0.000 1.181 932 A CA 1.073 53.015 52.037 -0.158 0.000 0.620 932 A CB -0.316 18.384 19.000 -0.501 0.000 0.819 932 A HN 0.360 nan 8.150 nan 0.000 0.442 933 I N -0.416 120.250 120.570 0.161 0.000 2.208 933 I HA -0.280 3.891 4.170 0.001 0.000 0.245 933 I C 2.513 178.733 176.117 0.171 0.000 1.097 933 I CA 1.935 63.363 61.300 0.214 0.000 1.363 933 I CB -0.160 37.997 38.000 0.262 0.000 1.051 933 I HN 0.313 nan 8.210 nan 0.000 0.413 934 K N 0.498 120.984 120.400 0.145 0.000 2.097 934 K HA -0.256 4.064 4.320 0.001 0.000 0.206 934 K C 1.953 178.614 176.600 0.101 0.000 1.049 934 K CA 1.473 57.822 56.287 0.104 0.000 0.933 934 K CB -0.604 31.952 32.500 0.093 0.000 0.717 934 K HN 0.391 nan 8.250 nan 0.000 0.442 935 W N 0.790 122.078 121.300 -0.020 0.000 2.358 935 W HA -0.095 4.566 4.660 0.001 0.000 0.303 935 W C 1.477 178.005 176.519 0.015 0.000 1.208 935 W CA 1.835 59.184 57.345 0.007 0.000 1.274 935 W CB -0.127 29.256 29.460 -0.128 0.000 1.138 935 W HN 0.047 nan 8.180 nan 0.000 0.515 936 I N 0.651 121.340 120.570 0.198 0.000 2.127 936 I HA -0.341 3.829 4.170 0.001 0.000 0.241 936 I C 2.353 178.458 176.117 -0.021 0.000 1.075 936 I CA 1.999 63.366 61.300 0.112 0.000 1.334 936 I CB -0.746 37.395 38.000 0.236 0.000 1.040 936 I HN 0.038 nan 8.210 nan 0.000 0.405 937 E N 0.470 120.668 120.200 -0.003 0.000 2.049 937 E HA -0.246 4.104 4.350 0.001 0.000 0.198 937 E C 1.941 178.433 176.600 -0.180 0.000 1.007 937 E CA 1.431 57.800 56.400 -0.050 0.000 0.809 937 E CB -0.053 29.638 29.700 -0.015 0.000 0.749 937 E HN 0.490 nan 8.360 nan 0.000 0.450 938 E N -0.754 119.257 120.200 -0.315 0.000 2.400 938 E HA 0.001 4.352 4.350 0.001 0.000 0.195 938 E C 1.157 177.256 176.600 -0.836 0.000 1.012 938 E CA 0.579 56.650 56.400 -0.549 0.000 0.875 938 E CB 0.470 29.779 29.700 -0.652 0.000 0.859 938 E HN 0.433 nan 8.360 nan 0.000 0.498 939 H N -2.271 116.442 119.070 -0.595 0.000 3.398 939 H HA 0.135 4.692 4.556 0.001 0.000 0.260 939 H C 0.440 175.271 175.328 -0.828 0.000 1.189 939 H CA -0.014 55.548 56.048 -0.810 0.000 1.145 939 H CB 0.712 29.712 29.762 -1.271 0.000 1.599 939 H HN 0.095 nan 8.280 nan 0.000 0.615 940 Y N 0.569 120.450 120.300 -0.697 0.000 2.769 940 Y HA 0.151 4.701 4.550 0.001 0.000 0.266 940 Y C 1.996 177.765 175.900 -0.218 0.000 1.091 940 Y CA 0.041 57.870 58.100 -0.453 0.000 1.272 940 Y CB 0.122 38.391 38.460 -0.318 0.000 1.469 940 Y HN -0.131 nan 8.280 nan 0.000 0.475 941 I N 1.903 122.406 120.570 -0.112 0.000 2.286 941 I HA -0.185 3.986 4.170 0.001 0.000 0.248 941 I C 0.556 176.585 176.117 -0.146 0.000 1.115 941 I CA 1.593 62.831 61.300 -0.102 0.000 1.392 941 I CB -1.211 36.777 38.000 -0.020 0.000 1.065 941 I HN 0.262 nan 8.210 nan 0.000 0.418 942 K N -0.305 119.987 120.400 -0.181 0.000 2.480 942 K HA 0.266 4.587 4.320 0.001 0.000 0.258 942 K C -0.688 175.793 176.600 -0.199 0.000 0.990 942 K CA -0.586 55.605 56.287 -0.159 0.000 0.857 942 K CB 2.109 34.536 32.500 -0.122 0.000 1.384 942 K HN -0.185 nan 8.250 nan 0.000 0.446 943 D N 0.407 120.727 120.400 -0.134 0.000 2.751 943 D HA -0.129 4.512 4.640 0.001 0.000 0.233 943 D C -0.798 175.405 176.300 -0.162 0.000 1.149 943 D CA 1.381 55.318 54.000 -0.105 0.000 0.682 943 D CB -1.712 39.035 40.800 -0.087 0.000 1.068 943 D HN 0.704 nan 8.370 nan 0.000 0.429 944 T N 1.287 115.668 114.554 -0.288 0.000 2.928 944 T HA 0.051 4.401 4.350 0.001 0.000 0.305 944 T C 0.908 175.345 174.700 -0.439 0.000 1.035 944 T CA -0.131 61.657 62.100 -0.521 0.000 1.145 944 T CB 0.872 69.107 68.868 -1.055 0.000 0.963 944 T HN -0.028 nan 8.240 nan 0.000 0.545 945 Q N 2.969 122.594 119.800 -0.293 0.000 2.566 945 Q HA 0.255 4.596 4.340 0.001 0.000 0.221 945 Q C -0.436 175.485 176.000 -0.132 0.000 1.195 945 Q CA -0.145 55.583 55.803 -0.125 0.000 0.967 945 Q CB -0.104 28.621 28.738 -0.022 0.000 1.337 945 Q HN 0.542 nan 8.270 nan 0.000 0.553 946 F N 0.311 120.267 119.950 0.009 0.000 2.496 946 F HA 0.205 4.733 4.527 0.001 0.000 0.344 946 F C 1.711 177.503 175.800 -0.013 0.000 1.155 946 F CA 0.353 58.353 58.000 0.001 0.000 1.302 946 F CB 0.408 39.431 39.000 0.039 0.000 1.159 946 F HN 0.402 nan 8.300 nan 0.000 0.595 947 G N 1.099 109.992 108.800 0.155 0.000 2.684 947 G HA2 0.180 4.141 3.960 0.001 0.000 0.255 947 G HA3 0.180 4.141 3.960 0.001 0.000 0.255 947 G C -0.473 174.494 174.900 0.112 0.000 1.219 947 G CA -0.737 44.416 45.100 0.087 0.000 0.901 947 G HN 0.530 nan 8.290 nan 0.000 0.548 948 E N 0.216 120.464 120.200 0.081 0.000 2.343 948 E HA 0.123 4.473 4.350 0.001 0.000 0.269 948 E C 0.048 176.686 176.600 0.064 0.000 1.047 948 E CA -0.280 56.160 56.400 0.067 0.000 0.874 948 E CB 1.288 31.021 29.700 0.056 0.000 1.033 948 E HN 0.328 nan 8.360 nan 0.000 0.409 949 K N 2.441 122.871 120.400 0.050 0.000 2.485 949 K HA 0.001 4.322 4.320 0.001 0.000 0.277 949 K C 0.536 177.165 176.600 0.048 0.000 0.990 949 K CA 0.579 56.896 56.287 0.050 0.000 0.994 949 K CB 0.373 32.893 32.500 0.033 0.000 0.906 949 K HN 0.490 nan 8.250 nan 0.000 0.488 950 R N -0.103 120.428 120.500 0.051 0.000 2.808 950 R HA 0.455 4.796 4.340 0.001 0.000 0.272 950 R C -1.162 175.162 176.300 0.039 0.000 0.995 950 R CA -0.981 55.147 56.100 0.046 0.000 0.917 950 R CB 0.784 31.118 30.300 0.056 0.000 1.217 950 R HN 0.191 nan 8.270 nan 0.000 0.471 951 V N 1.454 121.390 119.914 0.038 0.000 2.509 951 V HA 0.345 4.465 4.120 0.001 0.000 0.284 951 V C -0.116 176.008 176.094 0.049 0.000 1.047 951 V CA -0.091 62.234 62.300 0.042 0.000 0.952 951 V CB 1.677 33.524 31.823 0.039 0.000 0.988 951 V HN 0.831 nan 8.190 nan 0.000 0.469 952 T N 5.527 120.116 114.554 0.059 0.000 2.841 952 T HA 0.489 4.840 4.350 0.001 0.000 0.283 952 T C -0.528 174.254 174.700 0.136 0.000 1.000 952 T CA -0.793 61.365 62.100 0.097 0.000 0.977 952 T CB 1.265 70.156 68.868 0.038 0.000 0.979 952 T HN 0.560 nan 8.240 nan 0.000 0.446 953 K N 2.683 123.185 120.400 0.170 0.000 2.292 953 K HA 0.690 5.011 4.320 0.001 0.000 0.257 953 K C -0.964 175.724 176.600 0.146 0.000 0.940 953 K CA -0.690 55.676 56.287 0.132 0.000 0.811 953 K CB 1.971 34.523 32.500 0.086 0.000 1.120 953 K HN 0.479 nan 8.250 nan 0.000 0.428 954 I N 2.404 123.046 120.570 0.120 0.000 2.499 954 I HA 0.270 4.440 4.170 0.001 0.000 0.288 954 I C -0.943 175.199 176.117 0.041 0.000 1.048 954 I CA -1.124 60.221 61.300 0.075 0.000 1.062 954 I CB 2.153 40.236 38.000 0.137 0.000 1.238 954 I HN 0.177 nan 8.210 nan 0.000 0.426 955 V N 7.103 127.014 119.914 -0.006 0.000 2.409 955 V HA 0.459 4.580 4.120 0.001 0.000 0.291 955 V C -0.150 175.930 176.094 -0.024 0.000 1.020 955 V CA -0.501 61.795 62.300 -0.007 0.000 0.848 955 V CB 1.843 33.657 31.823 -0.016 0.000 0.990 955 V HN 0.467 nan 8.190 nan 0.000 0.430 956 L N 5.940 127.152 121.223 -0.018 0.000 2.307 956 L HA 0.655 4.995 4.340 0.001 0.000 0.284 956 L C 0.130 176.985 176.870 -0.025 0.000 1.023 956 L CA -0.540 54.276 54.840 -0.041 0.000 0.810 956 L CB 1.484 43.474 42.059 -0.114 0.000 1.231 956 L HN 0.527 nan 8.230 nan 0.000 0.423 957 R N 1.633 122.128 120.500 -0.009 0.000 2.637 957 R HA 0.597 4.937 4.340 0.001 0.000 0.291 957 R C 0.335 176.652 176.300 0.029 0.000 0.963 957 R CA -0.410 55.701 56.100 0.018 0.000 0.901 957 R CB 1.882 32.190 30.300 0.013 0.000 1.160 957 R HN 0.880 nan 8.270 nan 0.000 0.457 958 G N 2.359 111.193 108.800 0.057 0.000 2.164 958 G HA2 -0.170 3.791 3.960 0.001 0.000 0.212 958 G HA3 -0.170 3.791 3.960 0.001 0.000 0.212 958 G C -0.243 174.692 174.900 0.059 0.000 1.031 958 G CA -0.639 44.492 45.100 0.052 0.000 0.730 958 G HN 0.418 nan 8.290 nan 0.000 0.501 959 I N 0.560 121.188 120.570 0.097 0.000 2.436 959 I HA 0.334 4.505 4.170 0.001 0.000 0.289 959 I C -0.212 176.072 176.117 0.278 0.000 1.010 959 I CA -0.528 60.816 61.300 0.074 0.000 1.098 959 I CB 1.772 39.744 38.000 -0.046 0.000 1.266 959 I HN -0.032 nan 8.210 nan 0.000 0.434 960 D N 4.645 125.178 120.400 0.222 0.000 2.389 960 D HA 0.075 4.716 4.640 0.001 0.000 0.206 960 D C 0.434 176.849 176.300 0.193 0.000 1.055 960 D CA 0.650 54.833 54.000 0.305 0.000 0.856 960 D CB 0.908 41.840 40.800 0.218 0.000 0.957 960 D HN 0.528 nan 8.370 nan 0.000 0.509 961 K N 0.201 120.521 120.400 -0.134 0.000 2.508 961 K HA 0.346 4.667 4.320 0.001 0.000 0.260 961 K C -0.681 175.267 176.600 -1.086 0.000 0.949 961 K CA -1.003 54.975 56.287 -0.515 0.000 0.834 961 K CB 2.139 34.540 32.500 -0.166 0.000 1.365 961 K HN -0.187 nan 8.250 nan 0.000 0.437 962 L N 2.836 123.230 121.223 -1.382 0.000 2.660 962 L HA 0.134 4.475 4.340 0.001 0.000 0.272 962 L C -2.383 174.325 176.870 -0.271 0.000 1.194 962 L CA -0.447 53.924 54.840 -0.782 0.000 0.945 962 L CB -0.359 41.477 42.059 -0.373 0.000 1.212 962 L HN 0.522 nan 8.230 nan 0.000 0.490 963 P HA 0.266 nan 4.420 nan 0.000 0.272 963 P C -1.063 176.287 177.300 0.084 0.000 1.230 963 P CA -0.397 62.768 63.100 0.108 0.000 0.788 963 P CB 0.553 32.387 31.700 0.222 0.000 0.949 964 T N -1.244 113.399 114.554 0.149 0.000 2.925 964 T HA 0.668 5.019 4.350 0.001 0.000 0.285 964 T C 0.052 174.761 174.700 0.015 0.000 1.021 964 T CA -0.809 61.328 62.100 0.061 0.000 1.042 964 T CB 0.584 69.531 68.868 0.132 0.000 1.037 964 T HN 0.134 nan 8.240 nan 0.000 0.481 965 I N 2.385 122.841 120.570 -0.191 0.000 2.353 965 I HA 0.426 4.596 4.170 0.001 0.000 0.293 965 I C -0.264 175.566 176.117 -0.478 0.000 0.992 965 I CA -0.688 60.502 61.300 -0.184 0.000 1.268 965 I CB 0.827 38.710 38.000 -0.195 0.000 1.387 965 I HN 0.719 nan 8.210 nan 0.000 0.478 966 H N 2.637 121.628 119.070 -0.131 0.000 2.865 966 H HA 0.369 4.925 4.556 0.001 0.000 0.372 966 H C -0.068 175.243 175.328 -0.028 0.000 1.173 966 H CA -0.825 55.141 56.048 -0.138 0.000 1.147 966 H CB 1.828 31.388 29.762 -0.337 0.000 1.805 966 H HN 0.543 nan 8.280 nan 0.000 0.553 967 S N 0.621 116.385 115.700 0.106 0.000 3.631 967 S HA -0.200 4.271 4.470 0.001 0.000 0.366 967 S C -0.187 174.459 174.600 0.077 0.000 0.993 967 S CA 0.146 58.395 58.200 0.083 0.000 1.167 967 S CB -1.263 61.989 63.200 0.085 0.000 0.909 967 S HN 0.479 nan 8.310 nan 0.000 0.478 968 L N 2.165 123.422 121.223 0.057 0.000 2.319 968 L HA 0.661 5.002 4.340 0.001 0.000 0.280 968 L C 0.313 177.187 176.870 0.007 0.000 1.099 968 L CA 0.937 55.799 54.840 0.035 0.000 0.828 968 L CB 0.988 43.037 42.059 -0.016 0.000 1.150 968 L HN 0.481 nan 8.230 nan 0.000 0.442 969 S N 2.858 118.515 115.700 -0.072 0.000 2.615 969 S HA 1.028 5.499 4.470 0.001 0.000 0.269 969 S C -0.520 173.940 174.600 -0.235 0.000 1.161 969 S CA -0.144 58.020 58.200 -0.060 0.000 0.817 969 S CB 1.472 64.670 63.200 -0.004 0.000 1.131 969 S HN 1.301 nan 8.310 nan 0.000 0.467 970 G N -0.044 108.698 108.800 -0.097 0.000 2.317 970 G HA2 0.451 4.412 3.960 0.001 0.000 0.293 970 G HA3 0.451 4.412 3.960 0.001 0.000 0.293 970 G C -0.946 174.007 174.900 0.088 0.000 1.287 970 G CA -0.316 44.709 45.100 -0.125 0.000 0.850 970 G HN 0.959 nan 8.290 nan 0.000 0.515 971 T N 2.180 116.755 114.554 0.036 0.000 2.933 971 T HA 0.156 4.506 4.350 0.001 0.000 0.306 971 T C 0.659 175.394 174.700 0.059 0.000 1.045 971 T CA 0.133 62.224 62.100 -0.015 0.000 1.143 971 T CB -0.020 68.777 68.868 -0.119 0.000 1.003 971 T HN 0.466 nan 8.240 nan 0.000 0.540 972 N N 3.332 122.018 118.700 -0.024 0.000 2.412 972 N HA -0.022 4.718 4.740 0.001 0.000 0.254 972 N C 0.800 176.216 175.510 -0.156 0.000 1.232 972 N CA 0.299 53.310 53.050 -0.066 0.000 0.880 972 N CB -0.317 38.124 38.487 -0.077 0.000 1.076 972 N HN 0.669 nan 8.380 nan 0.000 0.458 973 N N -1.248 117.316 118.700 -0.227 0.000 2.741 973 N HA -0.234 4.506 4.740 0.001 0.000 0.250 973 N C -0.216 175.136 175.510 -0.263 0.000 1.115 973 N CA 0.883 53.769 53.050 -0.274 0.000 0.724 973 N CB -0.934 37.411 38.487 -0.236 0.000 1.090 973 N HN 0.625 nan 8.380 nan 0.000 0.558 974 S N -1.460 114.117 115.700 -0.205 0.000 2.603 974 S HA 0.228 4.699 4.470 0.001 0.000 0.232 974 S C -0.136 174.510 174.600 0.077 0.000 1.016 974 S CA -0.471 57.702 58.200 -0.044 0.000 0.976 974 S CB 0.118 63.351 63.200 0.056 0.000 0.921 974 S HN 0.468 nan 8.310 nan 0.000 0.516 975 Y N -1.087 119.179 120.300 -0.057 0.000 2.571 975 Y HA 0.813 5.364 4.550 0.001 0.000 0.341 975 Y C -1.221 174.645 175.900 -0.057 0.000 1.076 975 Y CA -1.426 56.647 58.100 -0.046 0.000 1.029 975 Y CB 0.354 38.790 38.460 -0.041 0.000 1.308 975 Y HN -0.176 nan 8.280 nan 0.000 0.461 976 D N 1.002 121.444 120.400 0.070 0.000 2.387 976 D HA 0.138 4.779 4.640 0.001 0.000 0.251 976 D C -0.733 175.623 176.300 0.092 0.000 1.141 976 D CA -0.547 53.457 54.000 0.006 0.000 0.987 976 D CB 1.133 41.929 40.800 -0.007 0.000 1.116 976 D HN 0.683 nan 8.370 nan 0.000 0.491 977 Q N 0.875 120.685 119.800 0.017 0.000 2.274 977 Q HA 0.146 4.487 4.340 0.001 0.000 0.280 977 Q C -2.381 173.576 176.000 -0.071 0.000 1.047 977 Q CA -0.675 55.118 55.803 -0.017 0.000 0.907 977 Q CB 0.444 29.152 28.738 -0.050 0.000 1.171 977 Q HN 0.006 nan 8.270 nan 0.000 0.381 978 P HA 0.005 nan 4.420 nan 0.000 0.264 978 P C -1.160 176.064 177.300 -0.125 0.000 1.193 978 P CA 0.251 63.233 63.100 -0.197 0.000 0.763 978 P CB 0.853 32.271 31.700 -0.470 0.000 0.810 979 S N 2.876 118.541 115.700 -0.059 0.000 2.525 979 S HA 0.442 4.912 4.470 0.001 0.000 0.278 979 S C -0.332 174.263 174.600 -0.008 0.000 1.234 979 S CA -0.380 57.803 58.200 -0.029 0.000 1.058 979 S CB 0.208 63.402 63.200 -0.010 0.000 0.983 979 S HN 0.178 nan 8.310 nan 0.000 0.495 980 L N 3.694 124.919 121.223 0.003 0.000 2.333 980 L HA 0.500 4.841 4.340 0.001 0.000 0.280 980 L C -0.083 176.821 176.870 0.057 0.000 1.004 980 L CA -0.457 54.404 54.840 0.035 0.000 0.820 980 L CB 1.169 43.248 42.059 0.032 0.000 1.247 980 L HN 0.566 nan 8.230 nan 0.000 0.416 981 N N 3.247 121.989 118.700 0.070 0.000 2.696 981 N HA 0.189 4.930 4.740 0.001 0.000 0.246 981 N C -1.292 174.282 175.510 0.107 0.000 1.057 981 N CA -0.400 52.691 53.050 0.068 0.000 0.867 981 N CB 0.371 38.874 38.487 0.028 0.000 1.141 981 N HN 0.283 nan 8.380 nan 0.000 0.517 982 F N 2.583 122.522 119.950 -0.018 0.000 2.445 982 F HA 0.300 4.828 4.527 0.001 0.000 0.359 982 F C 0.129 175.908 175.800 -0.035 0.000 1.101 982 F CA -0.836 57.149 58.000 -0.024 0.000 1.177 982 F CB 0.678 39.669 39.000 -0.015 0.000 1.110 982 F HN 0.301 nan 8.300 nan 0.000 0.522 983 D N 5.449 125.451 120.400 -0.663 0.000 2.485 983 D HA 0.085 4.725 4.640 0.001 0.000 0.229 983 D C 0.968 176.653 176.300 -1.025 0.000 1.101 983 D CA -0.198 53.409 54.000 -0.656 0.000 0.906 983 D CB 1.091 41.700 40.800 -0.318 0.000 1.019 983 D HN 0.753 nan 8.370 nan 0.000 0.516 984 Q N 4.406 123.478 119.800 -1.213 0.000 2.096 984 Q HA -0.275 4.066 4.340 0.001 0.000 0.208 984 Q C 1.521 177.124 176.000 -0.662 0.000 0.993 984 Q CA 2.458 57.713 55.803 -0.913 0.000 0.862 984 Q CB -0.016 28.490 28.738 -0.386 0.000 0.915 984 Q HN 0.543 nan 8.270 nan 0.000 0.416 985 K N -1.080 119.039 120.400 -0.468 0.000 2.148 985 K HA -0.057 4.263 4.320 0.001 0.000 0.204 985 K C 1.085 177.462 176.600 -0.372 0.000 1.050 985 K CA 1.660 57.730 56.287 -0.362 0.000 0.942 985 K CB -0.166 32.218 32.500 -0.193 0.000 0.724 985 K HN 0.255 nan 8.250 nan 0.000 0.446 986 N N 0.396 118.901 118.700 -0.325 0.000 2.230 986 N HA 0.051 4.792 4.740 0.001 0.000 0.202 986 N C -0.930 174.564 175.510 -0.028 0.000 1.119 986 N CA -0.219 52.757 53.050 -0.124 0.000 0.851 986 N CB 0.206 38.633 38.487 -0.101 0.000 0.990 986 N HN 0.210 nan 8.380 nan 0.000 0.497 987 H N 0.366 119.383 119.070 -0.088 0.000 2.506 987 H HA -0.181 4.375 4.556 0.001 0.000 0.323 987 H C -0.335 175.018 175.328 0.041 0.000 1.076 987 H CA 0.944 57.006 56.048 0.022 0.000 1.108 987 H CB -1.780 28.016 29.762 0.056 0.000 1.569 987 H HN 0.475 nan 8.280 nan 0.000 0.399 988 M N -2.282 117.342 119.600 0.040 0.000 2.520 988 M HA 0.723 5.204 4.480 0.001 0.000 0.283 988 M C -1.542 174.815 176.300 0.095 0.000 1.237 988 M CA -1.148 54.184 55.300 0.054 0.000 0.885 988 M CB 3.355 35.954 32.600 -0.002 0.000 1.727 988 M HN -0.028 nan 8.290 nan 0.000 0.468 989 V N 1.185 121.163 119.914 0.106 0.000 2.709 989 V HA 0.678 4.799 4.120 0.001 0.000 0.308 989 V C -1.032 175.097 176.094 0.059 0.000 1.062 989 V CA -0.021 62.359 62.300 0.133 0.000 0.901 989 V CB 2.565 34.486 31.823 0.163 0.000 1.003 989 V HN 1.038 nan 8.190 nan 0.000 0.425 990 T N 8.076 122.662 114.554 0.053 0.000 2.749 990 T HA 0.609 4.960 4.350 0.001 0.000 0.287 990 T C -0.332 174.400 174.700 0.054 0.000 0.970 990 T CA 0.068 62.193 62.100 0.041 0.000 0.980 990 T CB 0.575 69.457 68.868 0.022 0.000 0.924 990 T HN 0.494 nan 8.240 nan 0.000 0.456 991 I N 3.071 123.682 120.570 0.068 0.000 2.339 991 I HA 0.330 4.501 4.170 0.001 0.000 0.290 991 I C 0.308 176.473 176.117 0.080 0.000 0.994 991 I CA -0.505 60.844 61.300 0.081 0.000 1.191 991 I CB 1.626 39.709 38.000 0.139 0.000 1.343 991 I HN 0.470 nan 8.210 nan 0.000 0.458 992 T N 7.133 121.718 114.554 0.052 0.000 2.770 992 T HA 0.625 4.975 4.350 0.001 0.000 0.283 992 T C -0.167 174.557 174.700 0.040 0.000 0.988 992 T CA -0.323 61.807 62.100 0.050 0.000 0.957 992 T CB 0.886 69.773 68.868 0.032 0.000 0.930 992 T HN 0.257 nan 8.240 nan 0.000 0.443 993 I N 3.512 124.120 120.570 0.063 0.000 2.404 993 I HA 0.417 4.588 4.170 0.001 0.000 0.293 993 I C 0.237 176.383 176.117 0.049 0.000 0.992 993 I CA -0.720 60.612 61.300 0.053 0.000 1.149 993 I CB 1.604 39.663 38.000 0.097 0.000 1.315 993 I HN 0.525 nan 8.210 nan 0.000 0.446 994 N N 5.097 123.825 118.700 0.047 0.000 2.524 994 N HA 0.478 5.219 4.740 0.001 0.000 0.261 994 N C -1.281 174.270 175.510 0.069 0.000 0.998 994 N CA -0.078 53.000 53.050 0.046 0.000 0.915 994 N CB 1.154 39.658 38.487 0.030 0.000 1.187 994 N HN 0.796 nan 8.380 nan 0.000 0.507 995 S N 2.285 118.027 115.700 0.070 0.000 2.588 995 S HA 0.414 4.885 4.470 0.001 0.000 0.269 995 S C -1.279 173.376 174.600 0.091 0.000 1.157 995 S CA -0.975 57.285 58.200 0.101 0.000 0.824 995 S CB 1.855 65.121 63.200 0.111 0.000 1.126 995 S HN 0.630 nan 8.310 nan 0.000 0.464 996 N N -0.243 118.533 118.700 0.126 0.000 2.701 996 N HA 0.577 5.318 4.740 0.001 0.000 0.258 996 N C -0.454 175.238 175.510 0.303 0.000 1.262 996 N CA 0.250 53.402 53.050 0.170 0.000 0.780 996 N CB 0.883 39.458 38.487 0.147 0.000 1.380 996 N HN 1.293 nan 8.380 nan 0.000 0.548 997 G N 1.249 110.219 108.800 0.283 0.000 2.345 997 G HA2 0.008 3.969 3.960 0.001 0.000 0.285 997 G HA3 0.008 3.969 3.960 0.001 0.000 0.285 997 G C -1.916 172.999 174.900 0.026 0.000 1.297 997 G CA -0.973 44.256 45.100 0.215 0.000 0.875 997 G HN 0.443 nan 8.290 nan 0.000 0.506 998 N N -0.576 118.068 118.700 -0.094 0.000 2.524 998 N HA 0.590 5.330 4.740 0.001 0.000 0.283 998 N C -1.388 174.036 175.510 -0.143 0.000 1.142 998 N CA -0.281 52.689 53.050 -0.134 0.000 0.984 998 N CB 1.471 39.871 38.487 -0.144 0.000 1.155 998 N HN 0.509 nan 8.380 nan 0.000 0.467 999 L N 1.911 123.029 121.223 -0.174 0.000 2.455 999 L HA 0.422 4.762 4.340 0.001 0.000 0.264 999 L C -1.473 175.306 176.870 -0.153 0.000 0.968 999 L CA -0.396 54.323 54.840 -0.202 0.000 0.827 999 L CB 1.879 43.847 42.059 -0.152 0.000 1.317 999 L HN 0.708 nan 8.230 nan 0.000 0.407 1000 E N 3.445 123.579 120.200 -0.110 0.000 2.356 1000 E HA 0.782 5.133 4.350 0.001 0.000 0.275 1000 E C -1.551 175.095 176.600 0.076 0.000 0.904 1000 E CA -0.745 55.593 56.400 -0.103 0.000 0.757 1000 E CB 2.392 32.029 29.700 -0.106 0.000 1.232 1000 E HN 0.429 nan 8.360 nan 0.000 0.442 1001 F N -1.658 118.236 119.950 -0.092 0.000 2.842 1001 F HA 0.540 5.068 4.527 0.001 0.000 0.319 1001 F C -1.647 174.146 175.800 -0.012 0.000 1.159 1001 F CA -1.113 56.852 58.000 -0.058 0.000 0.902 1001 F CB 1.241 40.198 39.000 -0.071 0.000 1.311 1001 F HN 0.369 nan 8.300 nan 0.000 0.453 1002 E N 1.739 122.054 120.200 0.192 0.000 2.212 1002 E HA 0.606 4.957 4.350 0.001 0.000 0.268 1002 E C -1.491 175.257 176.600 0.245 0.000 0.902 1002 E CA -0.986 55.487 56.400 0.122 0.000 0.779 1002 E CB 2.978 32.739 29.700 0.102 0.000 1.172 1002 E HN 0.549 nan 8.360 nan 0.000 0.409 1003 L N 2.950 124.346 121.223 0.288 0.000 2.289 1003 L HA 0.371 4.712 4.340 0.001 0.000 0.285 1003 L C -0.218 176.853 176.870 0.336 0.000 1.049 1003 L CA -0.429 54.629 54.840 0.363 0.000 0.804 1003 L CB 0.696 43.062 42.059 0.512 0.000 1.195 1003 L HN 0.450 nan 8.230 nan 0.000 0.428 1004 H N 4.211 123.410 119.070 0.214 0.000 2.476 1004 H HA 0.598 5.154 4.556 0.001 0.000 0.328 1004 H C -0.822 174.560 175.328 0.091 0.000 1.073 1004 H CA -0.634 55.403 56.048 -0.018 0.000 1.229 1004 H CB 1.307 31.026 29.762 -0.071 0.000 1.432 1004 H HN 0.503 nan 8.280 nan 0.000 0.477 1005 F N 0.000 120.015 119.950 0.109 0.000 2.286 1005 F HA 0.000 4.528 4.527 0.001 0.000 0.279 1005 F CA 0.000 58.022 58.000 0.036 0.000 1.383 1005 F CB 0.000 39.013 39.000 0.021 0.000 1.145 1005 F HN 0.000 nan 8.300 nan 0.000 0.574