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 2fnq_1_A DATA FIRST_RESID 374 DATA SEQUENCE AIYNVEVETG DREHAGTDAT ITIRITGAKG RTDYLKLDKW FHNDFEAGSK DATA SEQUENCE EQYTVQGFDV GDIQLIELHS DGGGYWXXDP DWFVNRVIII SSTQDRVYSF DATA SEQUENCE PCFRWVIKDM VLFPGEATLP FNEVPAIVSE QRQKELEQRK LTYQWDYVSD DATA SEQUENCE DMPGNIKAKT HDDLPRDVQF TDEKSRSYQE SRKAALVNLG IGSLFTMFEN DATA SEQUENCE WDSYDDYHIL YRNWILGGTP NMADRWHEDR WFGYQFLNGA NPVILTRCDA DATA SEQUENCE LPSNFPVTNE HVNASLDRXX NLDEEIKDGH IYIVDFKVLV GAKSYXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXADIRY CAAPLALFYV NKLGHLMPIA IQINQEPGPE DATA SEQUENCE NPIWTPHEEN EHDWMMAKFW LGVAESNFHQ LNTHLLRTHL TTESFALSTW DATA SEQUENCE RNLASAHPVF KLLQPHIYGV LAIDTIGRKE LIGSGGIVDQ SLSLGGGGHV DATA SEQUENCE TFMEKCFKEV NLQDYHLPNA LKKRGVDDPS KLPGFYYRDD GLALWEAIET DATA SEQUENCE FIGEIIAIFY KNDDDVKRDN EIQSWIYDVH KNGWRVNPGH QDHGVPASFE DATA SEQUENCE SREQLKEVLT SLVFTFSCQH AAVNFSQKDH YGFTPNAPAV LRHPPPKKKG DATA SEQUENCE EATLQSILST LPSKSQAAKA IATVYILTKF SEDERYLGNY SATAWEDKDA DATA SEQUENCE LDAINRFQDK LEDISKKIKQ RNENLEVPYI YLLPERIPNG TAI 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 374 A HA 0.000 nan 4.320 nan 0.000 0.244 374 A C 0.000 177.287 177.584 -0.495 0.000 1.274 374 A CA 0.000 51.851 52.037 -0.311 0.000 0.836 374 A CB 0.000 18.916 19.000 -0.141 0.000 0.831 375 I N 1.767 122.115 120.570 -0.370 0.000 8.182 375 I HA -0.268 3.796 4.170 -0.177 0.000 0.126 375 I C -1.191 174.704 176.117 -0.369 0.000 1.835 375 I CA 0.951 62.097 61.300 -0.257 0.000 2.072 375 I CB -0.864 37.047 38.000 -0.149 0.000 3.753 375 I HN 0.652 nan 8.210 nan 0.000 0.180 376 Y N 5.103 125.410 120.300 0.011 0.000 2.446 376 Y HA 0.459 4.903 4.550 -0.176 0.000 0.345 376 Y C 0.630 176.552 175.900 0.036 0.000 0.984 376 Y CA -0.720 57.392 58.100 0.019 0.000 1.058 376 Y CB 1.459 39.914 38.460 -0.009 0.000 1.220 376 Y HN 0.345 nan 8.280 nan 0.000 0.455 377 N N 1.787 120.615 118.700 0.213 0.000 2.426 377 N HA 0.444 5.078 4.740 -0.177 0.000 0.257 377 N C -1.558 174.055 175.510 0.172 0.000 1.002 377 N CA -0.409 52.735 53.050 0.157 0.000 0.942 377 N CB 1.251 39.809 38.487 0.119 0.000 1.112 377 N HN 0.242 nan 8.380 nan 0.000 0.499 378 V N 2.464 122.483 119.914 0.174 0.000 2.313 378 V HA 0.164 4.178 4.120 -0.177 0.000 0.278 378 V C 0.141 176.371 176.094 0.227 0.000 1.017 378 V CA -0.703 61.696 62.300 0.164 0.000 0.823 378 V CB 1.036 32.928 31.823 0.114 0.000 1.010 378 V HN 0.664 nan 8.190 nan 0.000 0.443 379 E N 4.358 124.670 120.200 0.188 0.000 2.152 379 E HA 0.416 4.660 4.350 -0.177 0.000 0.285 379 E C -1.144 175.580 176.600 0.206 0.000 1.043 379 E CA -0.396 56.119 56.400 0.192 0.000 0.839 379 E CB 1.346 31.129 29.700 0.138 0.000 1.069 379 E HN 0.522 nan 8.360 nan 0.000 0.399 380 V N 5.788 125.887 119.914 0.308 0.000 2.266 380 V HA 0.160 4.174 4.120 -0.177 0.000 0.271 380 V C -0.026 176.264 176.094 0.327 0.000 1.032 380 V CA -0.701 61.795 62.300 0.327 0.000 0.806 380 V CB 0.766 32.933 31.823 0.573 0.000 1.052 380 V HN 0.715 nan 8.190 nan 0.000 0.449 381 E N 3.062 123.353 120.200 0.151 0.000 2.259 381 E HA 0.322 4.566 4.350 -0.177 0.000 0.281 381 E C -0.477 176.159 176.600 0.061 0.000 1.037 381 E CA -0.296 56.172 56.400 0.114 0.000 0.854 381 E CB 0.944 30.667 29.700 0.038 0.000 1.051 381 E HN 0.586 nan 8.360 nan 0.000 0.409 382 T N 3.472 118.128 114.554 0.170 0.000 2.829 382 T HA 0.406 4.650 4.350 -0.177 0.000 0.282 382 T C 0.288 175.053 174.700 0.108 0.000 0.990 382 T CA -0.383 61.816 62.100 0.164 0.000 1.028 382 T CB 1.505 70.633 68.868 0.433 0.000 0.951 382 T HN 0.628 nan 8.240 nan 0.000 0.460 383 G N 1.260 110.116 108.800 0.094 0.000 2.630 383 G HA2 0.125 3.979 3.960 -0.177 0.000 0.236 383 G HA3 0.125 3.979 3.960 -0.177 0.000 0.236 383 G C 0.678 175.641 174.900 0.104 0.000 1.248 383 G CA -0.558 44.642 45.100 0.166 0.000 0.844 383 G HN 0.858 nan 8.290 nan 0.000 0.588 384 D N 0.056 120.494 120.400 0.063 0.000 2.340 384 D HA -0.017 4.517 4.640 -0.177 0.000 0.217 384 D C 0.750 177.057 176.300 0.012 0.000 1.081 384 D CA -0.239 53.788 54.000 0.046 0.000 0.842 384 D CB 0.273 41.100 40.800 0.046 0.000 0.934 384 D HN 0.275 nan 8.370 nan 0.000 0.511 385 R N 1.005 121.477 120.500 -0.047 0.000 2.679 385 R HA 0.263 4.497 4.340 -0.177 0.000 0.268 385 R C 0.684 177.025 176.300 0.070 0.000 1.044 385 R CA 0.320 56.394 56.100 -0.043 0.000 1.105 385 R CB 0.120 30.296 30.300 -0.208 0.000 0.989 385 R HN 0.265 nan 8.270 nan 0.000 0.447 386 E N 2.670 122.919 120.200 0.082 0.000 2.415 386 E HA -0.047 4.197 4.350 -0.177 0.000 0.260 386 E C 0.303 176.973 176.600 0.118 0.000 1.016 386 E CA 0.087 56.468 56.400 -0.031 0.000 0.924 386 E CB -0.348 29.296 29.700 -0.093 0.000 0.961 386 E HN 0.915 nan 8.360 nan 0.000 0.459 387 H N -0.122 119.081 119.070 0.223 0.000 4.035 387 H HA -0.226 4.224 4.556 -0.177 0.000 0.138 387 H C 1.849 177.468 175.328 0.485 0.000 0.736 387 H CA 1.279 57.512 56.048 0.308 0.000 1.252 387 H CB -1.864 28.063 29.762 0.274 0.000 0.742 387 H HN 1.038 nan 8.280 nan 0.000 0.535 388 A N 1.698 124.790 122.820 0.455 0.000 2.054 388 A HA -0.005 4.209 4.320 -0.177 0.000 0.223 388 A C 1.858 179.668 177.584 0.378 0.000 1.169 388 A CA 1.959 54.137 52.037 0.235 0.000 0.655 388 A CB -0.642 18.403 19.000 0.075 0.000 0.812 388 A HN 0.553 nan 8.150 nan 0.000 0.462 389 G N -2.112 106.894 108.800 0.344 0.000 2.502 389 G HA2 0.509 4.363 3.960 -0.177 0.000 0.305 389 G HA3 0.509 4.363 3.960 -0.177 0.000 0.305 389 G C -0.006 175.046 174.900 0.254 0.000 1.190 389 G CA 0.392 45.684 45.100 0.321 0.000 0.933 389 G HN 0.664 nan 8.290 nan 0.000 0.503 390 T N -2.840 111.767 114.554 0.088 0.000 2.669 390 T HA 0.626 4.870 4.350 -0.177 0.000 0.283 390 T C -0.881 173.791 174.700 -0.047 0.000 1.019 390 T CA -0.631 61.467 62.100 -0.004 0.000 1.039 390 T CB 2.437 71.212 68.868 -0.154 0.000 1.374 390 T HN 0.247 nan 8.240 nan 0.000 0.523 391 D N -0.404 119.959 120.400 -0.061 0.000 2.704 391 D HA 0.442 4.976 4.640 -0.177 0.000 0.291 391 D C 0.095 176.363 176.300 -0.054 0.000 1.610 391 D CA -0.277 53.697 54.000 -0.044 0.000 0.807 391 D CB 0.739 41.528 40.800 -0.018 0.000 1.233 391 D HN 0.866 nan 8.370 nan 0.000 0.445 392 A N -0.127 122.626 122.820 -0.112 0.000 2.304 392 A HA 0.565 4.779 4.320 -0.177 0.000 0.271 392 A C 0.477 177.974 177.584 -0.144 0.000 1.091 392 A CA -0.049 51.915 52.037 -0.122 0.000 0.812 392 A CB 0.403 19.311 19.000 -0.154 0.000 1.056 392 A HN 0.032 nan 8.150 nan 0.000 0.489 393 T N 2.099 116.587 114.554 -0.110 0.000 2.727 393 T HA 0.387 4.631 4.350 -0.177 0.000 0.295 393 T C -0.170 174.444 174.700 -0.144 0.000 0.915 393 T CA 0.358 62.408 62.100 -0.082 0.000 1.066 393 T CB -0.499 68.348 68.868 -0.035 0.000 0.891 393 T HN 0.327 nan 8.240 nan 0.000 0.516 394 I N 4.167 124.632 120.570 -0.174 0.000 2.385 394 I HA 0.442 4.506 4.170 -0.177 0.000 0.294 394 I C 0.848 176.922 176.117 -0.072 0.000 0.988 394 I CA -0.129 61.020 61.300 -0.252 0.000 1.265 394 I CB 1.534 39.102 38.000 -0.719 0.000 1.388 394 I HN 0.732 nan 8.210 nan 0.000 0.480 395 T N 4.696 119.264 114.554 0.023 0.000 2.909 395 T HA 0.728 4.972 4.350 -0.177 0.000 0.299 395 T C -0.653 174.167 174.700 0.200 0.000 1.073 395 T CA -0.675 61.505 62.100 0.133 0.000 0.999 395 T CB 1.410 70.413 68.868 0.224 0.000 1.098 395 T HN 0.483 nan 8.240 nan 0.000 0.477 396 I N 1.119 121.727 120.570 0.063 0.000 2.693 396 I HA 0.711 4.775 4.170 -0.177 0.000 0.303 396 I C -0.725 175.171 176.117 -0.368 0.000 1.025 396 I CA -1.465 59.767 61.300 -0.113 0.000 1.086 396 I CB 1.918 39.817 38.000 -0.168 0.000 1.268 396 I HN 0.821 nan 8.210 nan 0.000 0.440 397 R N 7.843 127.940 120.500 -0.671 0.000 2.468 397 R HA 0.510 4.744 4.340 -0.177 0.000 0.302 397 R C -1.552 174.429 176.300 -0.532 0.000 1.041 397 R CA -0.583 55.037 56.100 -0.799 0.000 0.899 397 R CB 0.969 30.363 30.300 -1.510 0.000 1.167 397 R HN 0.617 nan 8.270 nan 0.000 0.483 398 I N 3.484 123.779 120.570 -0.458 0.000 2.474 398 I HA 0.197 4.261 4.170 -0.177 0.000 0.287 398 I C 0.030 175.964 176.117 -0.304 0.000 1.048 398 I CA 0.133 61.166 61.300 -0.446 0.000 1.383 398 I CB 1.732 39.334 38.000 -0.663 0.000 1.412 398 I HN 0.538 nan 8.210 nan 0.000 0.531 399 T N 4.000 118.419 114.554 -0.225 0.000 2.893 399 T HA 0.763 5.007 4.350 -0.177 0.000 0.291 399 T C 0.112 174.766 174.700 -0.077 0.000 1.028 399 T CA -0.611 61.414 62.100 -0.124 0.000 0.995 399 T CB 2.140 70.959 68.868 -0.082 0.000 1.051 399 T HN 0.941 nan 8.240 nan 0.000 0.470 400 G N 0.112 108.888 108.800 -0.040 0.000 2.529 400 G HA2 0.608 4.462 3.960 -0.177 0.000 0.238 400 G HA3 0.608 4.462 3.960 -0.177 0.000 0.238 400 G C 0.731 175.635 174.900 0.008 0.000 1.207 400 G CA 0.148 45.242 45.100 -0.011 0.000 0.928 400 G HN 0.760 nan 8.290 nan 0.000 0.495 401 A N 0.130 122.963 122.820 0.022 0.000 1.836 401 A HA 0.034 4.248 4.320 -0.177 0.000 0.215 401 A C 2.070 179.666 177.584 0.021 0.000 1.214 401 A CA 2.382 54.435 52.037 0.026 0.000 0.636 401 A CB -0.721 18.302 19.000 0.037 0.000 0.847 401 A HN 0.398 nan 8.150 nan 0.000 0.451 402 K N 0.007 120.423 120.400 0.026 0.000 2.519 402 K HA 0.104 4.318 4.320 -0.177 0.000 0.196 402 K C 0.932 177.542 176.600 0.017 0.000 1.041 402 K CA 0.885 57.186 56.287 0.022 0.000 0.954 402 K CB -0.626 31.891 32.500 0.028 0.000 0.774 402 K HN 0.836 nan 8.250 nan 0.000 0.480 403 G N -0.945 107.863 108.800 0.012 0.000 2.302 403 G HA2 0.259 4.113 3.960 -0.177 0.000 0.276 403 G HA3 0.259 4.113 3.960 -0.177 0.000 0.276 403 G C -1.393 173.500 174.900 -0.011 0.000 1.316 403 G CA -0.439 44.663 45.100 0.003 0.000 0.988 403 G HN 0.387 nan 8.290 nan 0.000 0.479 404 R N -1.095 119.392 120.500 -0.022 0.000 2.854 404 R HA 0.973 5.207 4.340 -0.177 0.000 0.271 404 R C 0.993 177.264 176.300 -0.048 0.000 0.996 404 R CA 0.830 56.896 56.100 -0.057 0.000 0.961 404 R CB 0.768 31.026 30.300 -0.069 0.000 1.182 404 R HN 2.139 nan 8.270 nan 0.000 0.479 405 T N -1.655 112.848 114.554 -0.085 0.000 3.204 405 T HA 0.544 4.788 4.350 -0.177 0.000 0.312 405 T C -0.489 174.175 174.700 -0.061 0.000 1.254 405 T CA -0.220 61.850 62.100 -0.049 0.000 0.913 405 T CB 0.685 69.525 68.868 -0.046 0.000 2.143 405 T HN 0.534 nan 8.240 nan 0.000 0.569 406 D N -0.294 120.082 120.400 -0.039 0.000 2.575 406 D HA 0.319 4.853 4.640 -0.177 0.000 0.236 406 D C -1.099 175.203 176.300 0.002 0.000 1.075 406 D CA -0.433 53.576 54.000 0.015 0.000 0.860 406 D CB 1.013 41.852 40.800 0.065 0.000 1.475 406 D HN 0.513 nan 8.370 nan 0.000 0.474 407 Y N 0.796 121.079 120.300 -0.027 0.000 2.865 407 Y HA -0.049 4.395 4.550 -0.177 0.000 0.338 407 Y C 0.616 176.515 175.900 -0.001 0.000 1.269 407 Y CA 0.507 58.594 58.100 -0.022 0.000 1.585 407 Y CB -0.103 38.351 38.460 -0.010 0.000 1.224 407 Y HN 0.046 nan 8.280 nan 0.000 0.554 408 L N 4.911 126.177 121.223 0.072 0.000 2.282 408 L HA 0.367 4.601 4.340 -0.177 0.000 0.288 408 L C 0.234 177.150 176.870 0.077 0.000 1.033 408 L CA -1.039 53.842 54.840 0.068 0.000 0.807 408 L CB 1.233 43.313 42.059 0.036 0.000 1.209 408 L HN 0.474 nan 8.230 nan 0.000 0.423 409 K N 4.102 124.555 120.400 0.087 0.000 2.412 409 K HA 0.278 4.492 4.320 -0.177 0.000 0.284 409 K C -0.958 175.684 176.600 0.070 0.000 1.046 409 K CA -0.328 56.007 56.287 0.080 0.000 0.999 409 K CB 0.408 32.963 32.500 0.093 0.000 0.941 409 K HN 0.525 nan 8.250 nan 0.000 0.474 410 L N 4.633 125.868 121.223 0.020 0.000 2.257 410 L HA 0.276 4.510 4.340 -0.177 0.000 0.290 410 L C -0.635 176.250 176.870 0.025 0.000 1.044 410 L CA -0.212 54.577 54.840 -0.086 0.000 0.810 410 L CB 0.991 42.822 42.059 -0.380 0.000 1.193 410 L HN 0.736 nan 8.230 nan 0.000 0.425 411 D N 2.136 122.751 120.400 0.357 0.000 2.301 411 D HA 0.127 4.661 4.640 -0.177 0.000 0.187 411 D C -1.168 175.248 176.300 0.193 0.000 1.264 411 D CA -0.662 53.561 54.000 0.371 0.000 0.849 411 D CB 1.050 41.961 40.800 0.184 0.000 1.828 411 D HN -0.002 nan 8.370 nan 0.000 0.526 412 K N 2.924 123.399 120.400 0.125 0.000 2.322 412 K HA 0.230 4.444 4.320 -0.177 0.000 0.283 412 K C 0.178 176.841 176.600 0.104 0.000 1.042 412 K CA -0.376 55.849 56.287 -0.103 0.000 0.958 412 K CB 0.444 32.781 32.500 -0.272 0.000 0.984 412 K HN 0.423 nan 8.250 nan 0.000 0.473 413 W N 2.225 123.543 121.300 0.029 0.000 2.079 413 W HA 0.047 4.602 4.660 -0.176 0.000 0.354 413 W C 0.647 177.183 176.519 0.029 0.000 1.302 413 W CA -0.964 56.335 57.345 -0.076 0.000 1.281 413 W CB -0.643 28.805 29.460 -0.019 0.000 1.165 413 W HN 0.545 nan 8.180 nan 0.000 0.603 414 F N 0.226 120.354 119.950 0.296 0.000 2.925 414 F HA -0.288 4.133 4.527 -0.177 0.000 0.239 414 F C 0.284 176.204 175.800 0.200 0.000 1.009 414 F CA 1.647 59.755 58.000 0.180 0.000 0.847 414 F CB -2.224 36.861 39.000 0.142 0.000 0.719 414 F HN 0.362 nan 8.300 nan 0.000 0.826 415 H N -0.294 118.838 119.070 0.104 0.000 3.038 415 H HA 0.394 4.844 4.556 -0.177 0.000 0.362 415 H C -0.864 174.468 175.328 0.006 0.000 1.167 415 H CA -1.311 54.766 56.048 0.048 0.000 1.197 415 H CB 1.045 30.808 29.762 0.001 0.000 1.840 415 H HN 0.039 nan 8.280 nan 0.000 0.540 416 N N 3.528 121.848 118.700 -0.632 0.000 2.521 416 N HA 0.090 4.724 4.740 -0.177 0.000 0.236 416 N C -1.165 173.841 175.510 -0.840 0.000 1.067 416 N CA -0.208 52.535 53.050 -0.511 0.000 0.939 416 N CB 0.209 38.548 38.487 -0.247 0.000 1.201 416 N HN 0.649 nan 8.380 nan 0.000 0.511 417 D N 1.774 121.806 120.400 -0.612 0.000 2.357 417 D HA 0.138 4.672 4.640 -0.177 0.000 0.242 417 D C 0.249 176.362 176.300 -0.311 0.000 1.153 417 D CA 0.197 53.890 54.000 -0.512 0.000 0.918 417 D CB 0.216 40.737 40.800 -0.464 0.000 1.181 417 D HN 0.396 nan 8.370 nan 0.000 0.435 418 F N -0.911 119.075 119.950 0.060 0.000 2.866 418 F HA -0.231 4.190 4.527 -0.177 0.000 0.254 418 F C 0.791 176.600 175.800 0.016 0.000 1.009 418 F CA 0.264 58.282 58.000 0.031 0.000 0.907 418 F CB -1.053 37.742 39.000 -0.342 0.000 0.859 418 F HN 0.249 nan 8.300 nan 0.000 0.842 419 E N 0.155 120.447 120.200 0.152 0.000 2.284 419 E HA 0.746 4.990 4.350 -0.177 0.000 0.255 419 E C 1.368 178.054 176.600 0.144 0.000 1.052 419 E CA 0.268 56.733 56.400 0.108 0.000 0.904 419 E CB 0.857 30.574 29.700 0.028 0.000 1.217 419 E HN 0.189 nan 8.360 nan 0.000 0.438 420 A N 0.813 123.693 122.820 0.099 0.000 2.028 420 A HA -0.301 3.913 4.320 -0.177 0.000 0.296 420 A C 1.239 178.892 177.584 0.115 0.000 3.464 420 A CA 3.036 55.126 52.037 0.088 0.000 1.008 420 A CB -1.407 17.625 19.000 0.054 0.000 0.658 420 A HN 0.628 nan 8.150 nan 0.000 0.482 421 G N -1.657 107.207 108.800 0.108 0.000 4.904 421 G HA2 0.516 4.370 3.960 -0.177 0.000 0.265 421 G HA3 0.516 4.370 3.960 -0.177 0.000 0.265 421 G C 0.105 175.079 174.900 0.123 0.000 1.227 421 G CA 1.101 46.269 45.100 0.113 0.000 0.926 421 G HN 1.377 nan 8.290 nan 0.000 0.581 422 S N 0.013 115.809 115.700 0.160 0.000 2.598 422 S HA 0.520 4.884 4.470 -0.177 0.000 0.256 422 S C 0.026 174.729 174.600 0.171 0.000 1.350 422 S CA -0.064 58.234 58.200 0.163 0.000 0.984 422 S CB 1.787 65.105 63.200 0.196 0.000 0.930 422 S HN 0.388 nan 8.310 nan 0.000 0.577 423 K N 0.629 121.119 120.400 0.151 0.000 2.670 423 K HA 0.315 4.529 4.320 -0.177 0.000 0.274 423 K C -1.852 174.815 176.600 0.111 0.000 1.068 423 K CA -0.171 56.201 56.287 0.142 0.000 0.967 423 K CB 1.248 33.805 32.500 0.096 0.000 1.297 423 K HN 0.723 nan 8.250 nan 0.000 0.477 424 E N 1.918 122.214 120.200 0.161 0.000 2.277 424 E HA 0.252 4.496 4.350 -0.177 0.000 0.266 424 E C -1.658 174.984 176.600 0.070 0.000 0.901 424 E CA -0.535 55.886 56.400 0.034 0.000 0.782 424 E CB 1.865 31.536 29.700 -0.047 0.000 1.228 424 E HN 0.410 nan 8.360 nan 0.000 0.424 425 Q N 2.759 122.492 119.800 -0.112 0.000 2.466 425 Q HA 0.295 4.529 4.340 -0.177 0.000 0.242 425 Q C -1.861 174.062 176.000 -0.129 0.000 1.046 425 Q CA -0.315 55.470 55.803 -0.029 0.000 0.841 425 Q CB 0.179 28.891 28.738 -0.043 0.000 1.193 425 Q HN 0.444 nan 8.270 nan 0.000 0.508 426 Y N 1.715 122.019 120.300 0.007 0.000 2.341 426 Y HA 0.382 4.826 4.550 -0.177 0.000 0.340 426 Y C 0.290 176.194 175.900 0.006 0.000 0.997 426 Y CA -0.540 57.554 58.100 -0.010 0.000 1.149 426 Y CB 1.735 40.216 38.460 0.035 0.000 1.171 426 Y HN 0.385 nan 8.280 nan 0.000 0.494 427 T N 4.357 118.961 114.554 0.084 0.000 2.744 427 T HA 0.486 4.730 4.350 -0.177 0.000 0.291 427 T C -0.751 173.995 174.700 0.076 0.000 0.957 427 T CA -0.416 61.724 62.100 0.066 0.000 1.002 427 T CB 0.663 69.531 68.868 0.000 0.000 0.919 427 T HN 0.447 nan 8.240 nan 0.000 0.468 428 V N 3.554 123.537 119.914 0.116 0.000 3.040 428 V HA 0.676 4.690 4.120 -0.177 0.000 0.312 428 V C -1.348 174.825 176.094 0.131 0.000 1.115 428 V CA -0.785 61.585 62.300 0.116 0.000 0.998 428 V CB 2.342 34.242 31.823 0.128 0.000 1.042 428 V HN 0.866 nan 8.190 nan 0.000 0.433 429 Q N 2.294 122.156 119.800 0.103 0.000 2.323 429 Q HA 0.739 4.973 4.340 -0.177 0.000 0.271 429 Q C -0.673 175.388 176.000 0.101 0.000 1.048 429 Q CA -0.027 55.817 55.803 0.069 0.000 0.792 429 Q CB 2.027 30.774 28.738 0.015 0.000 1.280 429 Q HN 1.105 nan 8.270 nan 0.000 0.441 430 G N 0.846 109.724 108.800 0.130 0.000 2.706 430 G HA2 0.620 4.474 3.960 -0.177 0.000 0.307 430 G HA3 0.620 4.474 3.960 -0.177 0.000 0.307 430 G C -0.849 174.123 174.900 0.120 0.000 1.307 430 G CA -0.299 44.885 45.100 0.139 0.000 0.790 430 G HN 0.679 nan 8.290 nan 0.000 0.503 431 F N -0.337 119.677 119.950 0.107 0.000 2.633 431 F HA 0.416 4.837 4.527 -0.177 0.000 0.338 431 F C 0.594 176.467 175.800 0.121 0.000 1.206 431 F CA 0.838 58.886 58.000 0.080 0.000 1.378 431 F CB 0.167 39.202 39.000 0.059 0.000 1.116 431 F HN 0.461 nan 8.300 nan 0.000 0.615 432 D N 2.053 122.495 120.400 0.070 0.000 2.494 432 D HA 0.388 4.922 4.640 -0.177 0.000 0.217 432 D C -0.119 176.250 176.300 0.114 0.000 1.153 432 D CA 0.049 54.095 54.000 0.077 0.000 0.954 432 D CB 0.300 41.106 40.800 0.009 0.000 1.034 432 D HN 0.334 nan 8.370 nan 0.000 0.518 433 V N 3.725 123.755 119.914 0.194 0.000 2.599 433 V HA 0.163 4.177 4.120 -0.177 0.000 0.300 433 V C 1.995 178.141 176.094 0.088 0.000 1.034 433 V CA 0.599 62.955 62.300 0.094 0.000 1.115 433 V CB 1.085 32.918 31.823 0.018 0.000 0.934 433 V HN 0.666 nan 8.190 nan 0.000 0.485 434 G N 3.723 112.555 108.800 0.054 0.000 2.982 434 G HA2 -0.298 3.556 3.960 -0.177 0.000 0.193 434 G HA3 -0.298 3.556 3.960 -0.177 0.000 0.193 434 G C 0.914 175.864 174.900 0.084 0.000 1.431 434 G CA 1.225 46.361 45.100 0.060 0.000 0.787 434 G HN 0.812 nan 8.290 nan 0.000 0.720 435 D N -0.265 120.187 120.400 0.087 0.000 2.363 435 D HA 0.133 4.667 4.640 -0.177 0.000 0.214 435 D C 0.581 176.947 176.300 0.110 0.000 1.093 435 D CA -0.602 53.494 54.000 0.160 0.000 0.837 435 D CB -0.202 40.696 40.800 0.164 0.000 0.948 435 D HN 0.214 nan 8.370 nan 0.000 0.507 436 I N 1.356 121.896 120.570 -0.050 0.000 8.192 436 I HA -0.283 3.781 4.170 -0.177 0.000 0.126 436 I C 0.520 176.646 176.117 0.016 0.000 1.847 436 I CA 0.467 61.652 61.300 -0.191 0.000 2.049 436 I CB -1.317 36.200 38.000 -0.806 0.000 3.776 436 I HN 0.379 nan 8.210 nan 0.000 0.173 437 Q N 4.581 124.409 119.800 0.047 0.000 2.352 437 Q HA 0.341 4.575 4.340 -0.177 0.000 0.212 437 Q C 0.051 176.165 176.000 0.190 0.000 0.888 437 Q CA 0.372 56.236 55.803 0.102 0.000 0.934 437 Q CB 0.698 29.468 28.738 0.054 0.000 1.093 437 Q HN 0.671 nan 8.270 nan 0.000 0.523 438 L N -2.293 119.049 121.223 0.198 0.000 2.948 438 L HA 0.413 4.647 4.340 -0.177 0.000 0.248 438 L C -1.363 175.523 176.870 0.027 0.000 0.977 438 L CA -1.069 53.946 54.840 0.291 0.000 1.002 438 L CB 0.571 42.846 42.059 0.360 0.000 1.519 438 L HN 0.033 nan 8.230 nan 0.000 0.422 439 I N -1.585 118.908 120.570 -0.129 0.000 3.100 439 I HA 0.904 4.968 4.170 -0.177 0.000 0.312 439 I C -0.893 175.056 176.117 -0.281 0.000 1.063 439 I CA -0.574 60.501 61.300 -0.374 0.000 1.031 439 I CB 2.284 39.830 38.000 -0.757 0.000 1.243 439 I HN 0.795 nan 8.210 nan 0.000 0.483 440 E N 2.792 122.810 120.200 -0.303 0.000 2.302 440 E HA 0.472 4.716 4.350 -0.177 0.000 0.263 440 E C -1.538 174.998 176.600 -0.107 0.000 0.897 440 E CA -0.509 55.782 56.400 -0.182 0.000 0.809 440 E CB 2.516 32.131 29.700 -0.142 0.000 1.270 440 E HN 0.456 nan 8.360 nan 0.000 0.410 441 L N 2.747 123.947 121.223 -0.038 0.000 2.312 441 L HA 0.466 4.700 4.340 -0.177 0.000 0.281 441 L C -0.393 176.614 176.870 0.228 0.000 1.070 441 L CA -0.680 54.194 54.840 0.058 0.000 0.805 441 L CB 0.648 42.686 42.059 -0.035 0.000 1.174 441 L HN 0.543 nan 8.230 nan 0.000 0.434 442 H N 1.711 120.880 119.070 0.165 0.000 2.689 442 H HA 0.399 4.848 4.556 -0.177 0.000 0.346 442 H C -0.614 174.727 175.328 0.020 0.000 1.037 442 H CA -0.256 55.844 56.048 0.087 0.000 1.234 442 H CB 1.963 31.722 29.762 -0.005 0.000 1.572 442 H HN 0.571 nan 8.280 nan 0.000 0.524 443 S N 2.463 117.859 115.700 -0.508 0.000 2.647 443 S HA 0.459 4.823 4.470 -0.177 0.000 0.284 443 S C -1.134 173.119 174.600 -0.578 0.000 1.134 443 S CA -0.105 57.848 58.200 -0.411 0.000 1.027 443 S CB 0.524 63.627 63.200 -0.162 0.000 1.180 443 S HN 0.856 nan 8.310 nan 0.000 0.521 444 D N -1.043 119.180 120.400 -0.295 0.000 2.362 444 D HA 0.213 4.747 4.640 -0.177 0.000 0.228 444 D C 0.616 176.853 176.300 -0.105 0.000 1.326 444 D CA 0.159 54.038 54.000 -0.201 0.000 0.927 444 D CB -0.157 40.547 40.800 -0.160 0.000 1.501 444 D HN 0.911 nan 8.370 nan 0.000 0.519 445 G N 1.337 110.090 108.800 -0.078 0.000 2.298 445 G HA2 -0.029 3.825 3.960 -0.177 0.000 0.271 445 G HA3 -0.029 3.825 3.960 -0.177 0.000 0.271 445 G C 1.101 175.981 174.900 -0.034 0.000 1.004 445 G CA 1.617 46.689 45.100 -0.046 0.000 0.664 445 G HN 1.884 nan 8.290 nan 0.000 0.553 446 G N -2.049 106.725 108.800 -0.043 0.000 2.587 446 G HA2 0.454 4.308 3.960 -0.177 0.000 0.212 446 G HA3 0.454 4.308 3.960 -0.177 0.000 0.212 446 G C 0.443 175.341 174.900 -0.003 0.000 1.327 446 G CA 0.473 45.558 45.100 -0.024 0.000 0.898 446 G HN 2.063 nan 8.290 nan 0.000 0.551 447 G N -2.362 106.454 108.800 0.027 0.000 2.511 447 G HA2 0.656 4.510 3.960 -0.177 0.000 0.318 447 G HA3 0.656 4.510 3.960 -0.177 0.000 0.318 447 G C 0.412 175.414 174.900 0.170 0.000 1.210 447 G CA 0.610 45.759 45.100 0.082 0.000 0.969 447 G HN 1.107 nan 8.290 nan 0.000 0.484 448 Y N 0.197 120.545 120.300 0.080 0.000 2.009 448 Y HA -0.025 4.419 4.550 -0.177 0.000 0.260 448 Y C 1.497 177.539 175.900 0.237 0.000 1.118 448 Y CA 0.642 58.823 58.100 0.134 0.000 1.087 448 Y CB -0.460 38.080 38.460 0.133 0.000 0.970 448 Y HN 0.507 nan 8.280 nan 0.000 0.481 453 P HA 0.102 nan 4.420 nan 0.000 0.278 453 P C -0.693 176.688 177.300 0.135 0.000 1.366 453 P CA 0.446 63.586 63.100 0.066 0.000 0.750 453 P CB -0.195 31.514 31.700 0.015 0.000 1.271 454 D N 0.362 120.893 120.400 0.219 0.000 2.313 454 D HA 0.141 4.675 4.640 -0.177 0.000 0.239 454 D C -0.682 176.008 176.300 0.650 0.000 1.142 454 D CA -0.121 54.106 54.000 0.378 0.000 0.847 454 D CB 0.327 41.281 40.800 0.257 0.000 1.082 454 D HN 0.077 nan 8.370 nan 0.000 0.480 455 W N 5.000 126.473 121.300 0.289 0.000 2.349 455 W HA 0.370 4.925 4.660 -0.174 0.000 0.309 455 W C -1.334 175.186 176.519 0.001 0.000 1.083 455 W CA -1.563 55.862 57.345 0.133 0.000 1.224 455 W CB 0.363 29.795 29.460 -0.048 0.000 1.256 455 W HN 0.206 nan 8.180 nan 0.000 0.461 456 F N 7.728 127.471 119.950 -0.346 0.000 2.384 456 F HA 0.369 4.789 4.527 -0.178 0.000 0.359 456 F C -0.219 175.122 175.800 -0.765 0.000 1.143 456 F CA -0.648 56.820 58.000 -0.886 0.000 1.216 456 F CB 0.134 38.289 39.000 -1.408 0.000 1.512 456 F HN -0.042 nan 8.300 nan 0.000 0.573 457 V N 6.548 125.712 119.914 -1.251 0.000 2.479 457 V HA -0.044 3.970 4.120 -0.177 0.000 0.281 457 V C 1.078 176.552 176.094 -1.033 0.000 1.031 457 V CA 0.420 62.017 62.300 -1.172 0.000 1.038 457 V CB 0.684 31.745 31.823 -1.270 0.000 0.981 457 V HN 0.784 nan 8.190 nan 0.000 0.478 458 N N 3.348 121.580 118.700 -0.781 0.000 2.220 458 N HA 0.125 4.759 4.740 -0.177 0.000 0.182 458 N C 0.864 175.740 175.510 -1.056 0.000 1.023 458 N CA 0.368 52.784 53.050 -1.056 0.000 0.856 458 N CB 0.352 38.481 38.487 -0.596 0.000 0.997 458 N HN 0.603 nan 8.380 nan 0.000 0.429 459 R N -0.186 119.983 120.500 -0.551 0.000 2.690 459 R HA 0.436 4.670 4.340 -0.177 0.000 0.269 459 R C -2.209 174.002 176.300 -0.147 0.000 1.037 459 R CA -0.477 55.439 56.100 -0.306 0.000 0.877 459 R CB 1.665 31.855 30.300 -0.184 0.000 1.255 459 R HN -0.210 nan 8.270 nan 0.000 0.467 460 V N 3.878 123.783 119.914 -0.015 0.000 2.686 460 V HA 0.532 4.546 4.120 -0.177 0.000 0.306 460 V C -0.744 175.493 176.094 0.237 0.000 1.065 460 V CA -0.589 61.737 62.300 0.044 0.000 0.894 460 V CB 1.998 33.766 31.823 -0.092 0.000 1.004 460 V HN 0.573 nan 8.190 nan 0.000 0.424 461 I N 6.430 127.128 120.570 0.212 0.000 2.476 461 I HA 0.526 4.590 4.170 -0.177 0.000 0.281 461 I C -0.305 175.969 176.117 0.263 0.000 1.040 461 I CA -0.342 61.130 61.300 0.286 0.000 1.094 461 I CB 1.522 39.633 38.000 0.185 0.000 1.219 461 I HN 0.618 nan 8.210 nan 0.000 0.450 462 I N 4.873 125.653 120.570 0.350 0.000 2.707 462 I HA 0.674 4.738 4.170 -0.177 0.000 0.309 462 I C -1.125 175.217 176.117 0.376 0.000 1.001 462 I CA -0.630 60.824 61.300 0.257 0.000 1.129 462 I CB 2.237 40.279 38.000 0.070 0.000 1.308 462 I HN 0.415 nan 8.210 nan 0.000 0.466 463 I N 3.870 124.632 120.570 0.320 0.000 2.499 463 I HA 0.218 4.282 4.170 -0.177 0.000 0.288 463 I C -0.259 176.061 176.117 0.338 0.000 1.048 463 I CA -0.505 61.006 61.300 0.352 0.000 1.062 463 I CB 2.095 40.230 38.000 0.225 0.000 1.238 463 I HN 0.640 nan 8.210 nan 0.000 0.426 464 S N 2.798 118.724 115.700 0.378 0.000 2.489 464 S HA 0.135 4.499 4.470 -0.177 0.000 0.277 464 S C 1.057 175.712 174.600 0.092 0.000 1.230 464 S CA -0.587 57.765 58.200 0.253 0.000 1.053 464 S CB 0.746 64.119 63.200 0.289 0.000 0.955 464 S HN 0.720 nan 8.310 nan 0.000 0.488 465 S N 2.778 118.438 115.700 -0.067 0.000 2.881 465 S HA 0.027 4.391 4.470 -0.177 0.000 0.228 465 S C 1.031 175.608 174.600 -0.039 0.000 0.965 465 S CA 0.463 58.631 58.200 -0.053 0.000 0.998 465 S CB -0.639 62.497 63.200 -0.108 0.000 0.795 465 S HN 0.876 nan 8.310 nan 0.000 0.518 466 T N -3.504 111.048 114.554 -0.004 0.000 3.186 466 T HA 0.256 4.500 4.350 -0.177 0.000 0.292 466 T C -0.274 174.465 174.700 0.065 0.000 0.915 466 T CA -0.448 61.661 62.100 0.015 0.000 0.902 466 T CB 0.228 69.092 68.868 -0.008 0.000 1.192 466 T HN 0.205 nan 8.240 nan 0.000 0.563 467 Q N 1.035 120.904 119.800 0.116 0.000 2.321 467 Q HA 0.441 4.675 4.340 -0.177 0.000 0.270 467 Q C -0.377 175.699 176.000 0.127 0.000 1.032 467 Q CA 0.176 56.075 55.803 0.159 0.000 0.784 467 Q CB 1.437 30.364 28.738 0.315 0.000 1.264 467 Q HN 0.507 nan 8.270 nan 0.000 0.448 468 D N 0.464 120.904 120.400 0.066 0.000 2.494 468 D HA 0.329 4.863 4.640 -0.177 0.000 0.249 468 D C 0.691 176.979 176.300 -0.020 0.000 1.223 468 D CA 0.770 54.786 54.000 0.026 0.000 0.865 468 D CB -0.209 40.599 40.800 0.012 0.000 0.974 468 D HN 0.526 nan 8.370 nan 0.000 0.491 469 R N -0.872 119.595 120.500 -0.055 0.000 2.919 469 R HA 0.877 5.111 4.340 -0.177 0.000 0.260 469 R C -0.338 175.815 176.300 -0.244 0.000 1.067 469 R CA -0.074 55.882 56.100 -0.239 0.000 1.003 469 R CB 1.356 31.353 30.300 -0.506 0.000 1.192 469 R HN 0.763 nan 8.270 nan 0.000 0.488 470 V N 2.367 122.112 119.914 -0.281 0.000 2.289 470 V HA 0.522 4.536 4.120 -0.177 0.000 0.272 470 V C -1.313 174.685 176.094 -0.160 0.000 1.026 470 V CA -0.884 61.354 62.300 -0.103 0.000 0.807 470 V CB 0.141 31.951 31.823 -0.021 0.000 1.044 470 V HN 0.716 nan 8.190 nan 0.000 0.443 471 Y N 3.909 124.250 120.300 0.069 0.000 2.605 471 Y HA 0.384 4.828 4.550 -0.177 0.000 0.336 471 Y C 1.257 177.125 175.900 -0.054 0.000 1.111 471 Y CA 0.321 58.412 58.100 -0.015 0.000 1.422 471 Y CB 0.415 38.988 38.460 0.188 0.000 1.193 471 Y HN 0.625 nan 8.280 nan 0.000 0.526 472 S N 3.853 119.458 115.700 -0.158 0.000 2.541 472 S HA 0.541 4.905 4.470 -0.177 0.000 0.283 472 S C -0.713 173.646 174.600 -0.400 0.000 1.196 472 S CA -0.660 57.484 58.200 -0.093 0.000 1.062 472 S CB 0.467 63.640 63.200 -0.046 0.000 1.009 472 S HN 0.476 nan 8.310 nan 0.000 0.502 473 F N 2.543 122.513 119.950 0.033 0.000 2.593 473 F HA 0.297 4.719 4.527 -0.174 0.000 0.336 473 F C -2.325 173.436 175.800 -0.064 0.000 1.491 473 F CA -1.953 56.040 58.000 -0.011 0.000 1.114 473 F CB 0.759 39.729 39.000 -0.051 0.000 1.468 473 F HN 0.288 nan 8.300 nan 0.000 0.579 474 P HA -0.068 nan 4.420 nan 0.000 0.263 474 P C 0.201 177.503 177.300 0.004 0.000 1.175 474 P CA 0.470 63.606 63.100 0.060 0.000 0.761 474 P CB 2.183 33.985 31.700 0.170 0.000 0.794 475 C N 3.329 122.539 119.300 -0.150 0.000 3.226 475 C HA 0.354 4.708 4.460 -0.177 0.000 0.173 475 C C 0.194 175.127 174.990 -0.096 0.000 2.588 475 C CA 0.109 59.004 59.018 -0.204 0.000 1.088 475 C CB -1.148 26.343 27.740 -0.414 0.000 1.236 475 C HN 0.532 nan 8.230 nan 0.000 0.720 476 F N 1.682 121.362 119.950 -0.451 0.000 2.985 476 F HA -0.068 4.354 4.527 -0.174 0.000 0.303 476 F C 0.056 175.471 175.800 -0.641 0.000 0.976 476 F CA 0.809 58.472 58.000 -0.561 0.000 1.013 476 F CB -1.391 37.534 39.000 -0.125 0.000 1.060 476 F HN 0.475 nan 8.300 nan 0.000 0.780 477 R N -1.751 118.189 120.500 -0.932 0.000 2.734 477 R HA 0.580 4.814 4.340 -0.177 0.000 0.271 477 R C -1.305 174.591 176.300 -0.673 0.000 1.021 477 R CA -0.932 54.914 56.100 -0.424 0.000 0.893 477 R CB 0.880 31.167 30.300 -0.022 0.000 1.244 477 R HN 0.135 nan 8.270 nan 0.000 0.464 478 W N 0.697 121.983 121.300 -0.022 0.000 2.202 478 W HA 0.400 4.954 4.660 -0.177 0.000 0.332 478 W C -0.196 176.285 176.519 -0.064 0.000 1.263 478 W CA -0.248 57.121 57.345 0.040 0.000 1.223 478 W CB 0.756 30.319 29.460 0.172 0.000 1.128 478 W HN 0.047 nan 8.180 nan 0.000 0.573 479 V N 6.181 126.180 119.914 0.141 0.000 2.275 479 V HA 0.063 4.077 4.120 -0.177 0.000 0.272 479 V C 0.632 176.833 176.094 0.179 0.000 1.028 479 V CA -0.681 61.665 62.300 0.078 0.000 0.810 479 V CB -0.628 31.178 31.823 -0.027 0.000 1.043 479 V HN 0.469 nan 8.190 nan 0.000 0.453 480 I N 4.439 125.090 120.570 0.135 0.000 2.623 480 I HA 0.124 4.188 4.170 -0.177 0.000 0.214 480 I C 2.374 178.520 176.117 0.048 0.000 1.055 480 I CA 1.800 63.157 61.300 0.095 0.000 1.386 480 I CB -1.170 36.866 38.000 0.059 0.000 1.217 480 I HN 0.455 nan 8.210 nan 0.000 0.405 481 K N -0.325 120.096 120.400 0.034 0.000 2.121 481 K HA 0.223 4.437 4.320 -0.177 0.000 0.203 481 K C 0.577 177.221 176.600 0.075 0.000 1.041 481 K CA 1.392 57.688 56.287 0.015 0.000 0.969 481 K CB -1.137 31.397 32.500 0.057 0.000 0.799 481 K HN 0.623 nan 8.250 nan 0.000 0.456 482 D N -2.130 118.338 120.400 0.113 0.000 2.531 482 D HA 0.637 5.171 4.640 -0.177 0.000 0.244 482 D C -0.998 175.332 176.300 0.051 0.000 1.090 482 D CA -0.475 53.611 54.000 0.143 0.000 0.989 482 D CB 1.970 42.863 40.800 0.154 0.000 1.433 482 D HN 0.069 nan 8.370 nan 0.000 0.492 483 M N 2.056 121.666 119.600 0.017 0.000 2.457 483 M HA 0.166 4.540 4.480 -0.177 0.000 0.186 483 M C -1.977 174.250 176.300 -0.123 0.000 0.962 483 M CA -0.382 54.876 55.300 -0.070 0.000 0.909 483 M CB 1.300 33.828 32.600 -0.120 0.000 2.798 483 M HN 0.190 nan 8.290 nan 0.000 0.412 484 V N 5.158 124.981 119.914 -0.152 0.000 2.555 484 V HA 0.385 4.399 4.120 -0.177 0.000 0.286 484 V C 0.114 175.996 176.094 -0.353 0.000 1.044 484 V CA -0.018 62.147 62.300 -0.227 0.000 1.026 484 V CB 1.137 32.820 31.823 -0.233 0.000 0.981 484 V HN 0.643 nan 8.190 nan 0.000 0.480 485 L N 5.833 126.884 121.223 -0.287 0.000 2.376 485 L HA 0.555 4.789 4.340 -0.177 0.000 0.275 485 L C -0.528 176.392 176.870 0.083 0.000 0.987 485 L CA -0.255 54.474 54.840 -0.185 0.000 0.828 485 L CB 1.527 43.577 42.059 -0.015 0.000 1.249 485 L HN 0.458 nan 8.230 nan 0.000 0.409 486 F N 3.513 123.555 119.950 0.153 0.000 2.382 486 F HA 0.336 4.756 4.527 -0.178 0.000 0.331 486 F C -1.246 174.550 175.800 -0.007 0.000 1.121 486 F CA -1.816 56.251 58.000 0.111 0.000 1.183 486 F CB 0.477 39.481 39.000 0.007 0.000 1.207 486 F HN 0.333 nan 8.300 nan 0.000 0.555 487 P HA -0.043 nan 4.420 nan 0.000 0.293 487 P C 0.697 177.845 177.300 -0.253 0.000 1.285 487 P CA 0.168 62.968 63.100 -0.499 0.000 0.775 487 P CB 0.012 31.560 31.700 -0.252 0.000 1.351 488 G N -0.102 108.554 108.800 -0.240 0.000 2.941 488 G HA2 -0.168 3.686 3.960 -0.177 0.000 0.206 488 G HA3 -0.168 3.686 3.960 -0.177 0.000 0.206 488 G C 0.047 174.953 174.900 0.010 0.000 1.403 488 G CA 0.377 45.422 45.100 -0.093 0.000 0.805 488 G HN 0.566 nan 8.290 nan 0.000 0.689 489 E N 1.337 121.557 120.200 0.033 0.000 3.056 489 E HA 0.161 4.405 4.350 -0.177 0.000 0.264 489 E C 0.638 177.316 176.600 0.131 0.000 0.899 489 E CA 0.502 56.967 56.400 0.109 0.000 0.966 489 E CB -0.157 29.581 29.700 0.064 0.000 0.913 489 E HN 0.501 nan 8.360 nan 0.000 0.522 490 A N 3.704 126.672 122.820 0.246 0.000 2.407 490 A HA 0.452 4.666 4.320 -0.177 0.000 0.248 490 A C 0.571 178.224 177.584 0.115 0.000 1.082 490 A CA 0.050 52.150 52.037 0.105 0.000 0.785 490 A CB 0.368 19.340 19.000 -0.048 0.000 1.020 490 A HN 0.657 nan 8.150 nan 0.000 0.489 491 T N -0.141 114.373 114.554 -0.067 0.000 2.896 491 T HA 0.664 4.908 4.350 -0.177 0.000 0.297 491 T C -0.415 174.059 174.700 -0.377 0.000 1.108 491 T CA -0.775 61.234 62.100 -0.152 0.000 1.004 491 T CB 0.719 69.479 68.868 -0.180 0.000 1.159 491 T HN 0.463 nan 8.240 nan 0.000 0.499 492 L N 2.512 123.397 121.223 -0.562 0.000 2.399 492 L HA 0.389 4.623 4.340 -0.177 0.000 0.266 492 L C -0.944 175.470 176.870 -0.759 0.000 1.114 492 L CA -2.609 51.680 54.840 -0.919 0.000 0.804 492 L CB 1.297 42.486 42.059 -1.451 0.000 1.146 492 L HN 0.546 nan 8.230 nan 0.000 0.451 493 P HA -0.222 nan 4.420 nan 0.000 0.218 493 P C 1.128 178.308 177.300 -0.200 0.000 1.146 493 P CA 1.637 64.559 63.100 -0.297 0.000 0.813 493 P CB 0.002 31.618 31.700 -0.139 0.000 0.778 494 F N -0.920 118.956 119.950 -0.123 0.000 2.698 494 F HA 0.251 4.665 4.527 -0.189 0.000 0.295 494 F C 1.205 176.946 175.800 -0.098 0.000 1.124 494 F CA -0.859 57.084 58.000 -0.096 0.000 1.426 494 F CB -2.206 36.745 39.000 -0.082 0.000 1.120 494 F HN -0.165 nan 8.300 nan 0.000 0.583 495 N N 1.638 120.238 118.700 -0.167 0.000 2.237 495 N HA 0.307 4.941 4.740 -0.177 0.000 0.222 495 N C 0.471 175.968 175.510 -0.021 0.000 1.311 495 N CA 0.344 53.372 53.050 -0.037 0.000 0.880 495 N CB -0.483 37.888 38.487 -0.193 0.000 1.106 495 N HN 0.784 nan 8.380 nan 0.000 0.435 496 E N -0.254 119.940 120.200 -0.011 0.000 2.341 496 E HA 0.457 4.701 4.350 -0.177 0.000 0.256 496 E C -0.470 176.093 176.600 -0.062 0.000 1.125 496 E CA -0.199 56.187 56.400 -0.024 0.000 0.939 496 E CB -0.521 29.169 29.700 -0.017 0.000 0.991 496 E HN 0.770 nan 8.360 nan 0.000 0.458 497 V N 5.932 125.801 119.914 -0.075 0.000 2.531 497 V HA 0.474 4.488 4.120 -0.177 0.000 0.301 497 V C -2.056 173.984 176.094 -0.090 0.000 1.034 497 V CA -1.652 60.579 62.300 -0.116 0.000 0.865 497 V CB 1.963 33.680 31.823 -0.178 0.000 0.995 497 V HN 0.840 nan 8.190 nan 0.000 0.424 498 P HA 0.066 nan 4.420 nan 0.000 0.265 498 P C 0.884 178.151 177.300 -0.055 0.000 1.187 498 P CA 0.344 63.413 63.100 -0.052 0.000 0.766 498 P CB 0.899 32.577 31.700 -0.037 0.000 0.820 499 A N 3.751 126.552 122.820 -0.033 0.000 1.893 499 A HA -0.295 3.919 4.320 -0.177 0.000 0.222 499 A C 2.056 179.625 177.584 -0.026 0.000 1.309 499 A CA 2.446 54.468 52.037 -0.025 0.000 0.681 499 A CB -1.621 17.372 19.000 -0.011 0.000 0.842 499 A HN 0.567 nan 8.150 nan 0.000 0.468 500 I N -0.434 120.128 120.570 -0.014 0.000 2.264 500 I HA -0.166 3.898 4.170 -0.177 0.000 0.248 500 I C 2.227 178.345 176.117 0.002 0.000 1.111 500 I CA 1.367 62.669 61.300 0.004 0.000 1.382 500 I CB -0.226 37.783 38.000 0.016 0.000 1.060 500 I HN 0.123 nan 8.210 nan 0.000 0.418 501 V N -0.025 119.852 119.914 -0.061 0.000 2.759 501 V HA -0.133 3.881 4.120 -0.177 0.000 0.256 501 V C 1.342 177.268 176.094 -0.281 0.000 1.080 501 V CA 1.052 63.232 62.300 -0.201 0.000 1.101 501 V CB -0.932 30.688 31.823 -0.340 0.000 0.698 501 V HN 0.362 nan 8.190 nan 0.000 0.477 502 S N -1.207 114.405 115.700 -0.146 0.000 2.738 502 S HA 0.442 4.806 4.470 -0.177 0.000 0.284 502 S C 0.959 175.550 174.600 -0.015 0.000 1.146 502 S CA 0.084 58.225 58.200 -0.099 0.000 0.997 502 S CB 1.759 64.912 63.200 -0.079 0.000 1.081 502 S HN 0.393 nan 8.310 nan 0.000 0.553 503 E N -0.293 119.913 120.200 0.010 0.000 4.586 503 E HA -0.292 3.952 4.350 -0.177 0.000 0.271 503 E C 0.999 177.637 176.600 0.062 0.000 0.767 503 E CA 2.004 58.422 56.400 0.030 0.000 1.491 503 E CB -1.094 28.618 29.700 0.021 0.000 1.758 503 E HN 0.550 nan 8.360 nan 0.000 0.398 504 Q N -0.281 119.579 119.800 0.100 0.000 2.373 504 Q HA 0.294 4.528 4.340 -0.177 0.000 0.210 504 Q C 1.974 178.145 176.000 0.286 0.000 0.913 504 Q CA 1.428 57.343 55.803 0.187 0.000 0.911 504 Q CB 0.062 28.967 28.738 0.279 0.000 1.040 504 Q HN 0.389 nan 8.270 nan 0.000 0.521 505 R N -0.151 120.507 120.500 0.263 0.000 2.055 505 R HA -0.099 4.135 4.340 -0.177 0.000 0.221 505 R C 2.206 178.574 176.300 0.113 0.000 1.154 505 R CA 1.335 57.593 56.100 0.264 0.000 0.975 505 R CB -0.133 30.216 30.300 0.083 0.000 0.869 505 R HN 0.348 nan 8.270 nan 0.000 0.437 506 Q N 0.757 120.595 119.800 0.063 0.000 2.248 506 Q HA -0.228 4.006 4.340 -0.177 0.000 0.208 506 Q C 1.741 177.773 176.000 0.053 0.000 0.984 506 Q CA 1.905 57.736 55.803 0.046 0.000 0.875 506 Q CB -0.093 28.665 28.738 0.034 0.000 0.910 506 Q HN 0.094 nan 8.270 nan 0.000 0.433 507 K N 1.525 121.965 120.400 0.066 0.000 1.977 507 K HA -0.274 3.940 4.320 -0.177 0.000 0.218 507 K C 1.952 178.579 176.600 0.047 0.000 1.051 507 K CA 2.357 58.679 56.287 0.057 0.000 0.953 507 K CB -0.412 32.129 32.500 0.068 0.000 0.727 507 K HN 0.648 nan 8.250 nan 0.000 0.445 508 E N 0.482 120.709 120.200 0.043 0.000 2.130 508 E HA -0.240 4.004 4.350 -0.177 0.000 0.196 508 E C 2.106 178.719 176.600 0.021 0.000 0.998 508 E CA 1.671 58.081 56.400 0.017 0.000 0.806 508 E CB -0.637 29.049 29.700 -0.023 0.000 0.738 508 E HN 0.345 nan 8.360 nan 0.000 0.459 509 L N 0.815 122.052 121.223 0.024 0.000 2.079 509 L HA -0.205 4.029 4.340 -0.177 0.000 0.210 509 L C 3.107 180.006 176.870 0.048 0.000 1.081 509 L CA 1.903 56.760 54.840 0.028 0.000 0.752 509 L CB -0.979 41.102 42.059 0.036 0.000 0.896 509 L HN 0.478 nan 8.230 nan 0.000 0.433 510 E N -0.044 120.185 120.200 0.049 0.000 2.150 510 E HA -0.236 4.008 4.350 -0.177 0.000 0.193 510 E C 2.190 178.824 176.600 0.057 0.000 0.985 510 E CA 1.615 58.048 56.400 0.054 0.000 0.814 510 E CB -0.958 28.770 29.700 0.047 0.000 0.752 510 E HN 0.653 nan 8.360 nan 0.000 0.466 511 Q N 0.639 120.472 119.800 0.054 0.000 2.083 511 Q HA -0.081 4.153 4.340 -0.177 0.000 0.198 511 Q C 2.383 178.441 176.000 0.097 0.000 0.969 511 Q CA 1.411 57.252 55.803 0.063 0.000 0.838 511 Q CB -0.378 28.391 28.738 0.052 0.000 0.900 511 Q HN 0.519 nan 8.270 nan 0.000 0.436 512 R N 0.709 121.266 120.500 0.095 0.000 2.073 512 R HA -0.049 4.185 4.340 -0.177 0.000 0.234 512 R C 1.956 178.347 176.300 0.152 0.000 1.134 512 R CA 1.492 57.666 56.100 0.123 0.000 0.952 512 R CB -0.318 29.996 30.300 0.022 0.000 0.850 512 R HN 0.533 nan 8.270 nan 0.000 0.433 513 K N 0.714 121.175 120.400 0.102 0.000 2.611 513 K HA -0.032 4.182 4.320 -0.177 0.000 0.193 513 K C 1.153 177.811 176.600 0.097 0.000 1.026 513 K CA 0.222 56.568 56.287 0.099 0.000 1.063 513 K CB 0.109 32.665 32.500 0.094 0.000 0.839 513 K HN -0.027 nan 8.250 nan 0.000 0.505 514 L N -0.604 120.682 121.223 0.105 0.000 2.653 514 L HA 0.018 4.252 4.340 -0.177 0.000 0.230 514 L C 1.623 178.523 176.870 0.050 0.000 1.055 514 L CA 1.194 56.077 54.840 0.070 0.000 0.880 514 L CB 0.472 42.564 42.059 0.056 0.000 1.195 514 L HN 0.066 nan 8.230 nan 0.000 0.492 515 T N -3.400 111.211 114.554 0.096 0.000 3.145 515 T HA 0.223 4.468 4.350 -0.177 0.000 0.255 515 T C -0.435 174.154 174.700 -0.184 0.000 1.039 515 T CA 0.099 62.181 62.100 -0.030 0.000 0.928 515 T CB -0.351 68.498 68.868 -0.033 0.000 1.029 515 T HN 0.058 nan 8.240 nan 0.000 0.554 516 Y N 2.441 122.678 120.300 -0.105 0.000 2.484 516 Y HA 0.353 4.799 4.550 -0.173 0.000 0.348 516 Y C -0.294 175.498 175.900 -0.179 0.000 1.103 516 Y CA -1.432 56.576 58.100 -0.154 0.000 1.317 516 Y CB 0.836 39.225 38.460 -0.118 0.000 1.096 516 Y HN 0.310 nan 8.280 nan 0.000 0.568 517 Q N -0.454 119.308 119.800 -0.065 0.000 2.348 517 Q HA 0.516 4.750 4.340 -0.177 0.000 0.271 517 Q C -0.954 174.982 176.000 -0.107 0.000 1.067 517 Q CA -1.164 54.596 55.803 -0.071 0.000 0.839 517 Q CB 2.103 30.857 28.738 0.026 0.000 1.354 517 Q HN 0.468 nan 8.270 nan 0.000 0.447 518 W N 1.175 122.470 121.300 -0.008 0.000 2.123 518 W HA 0.246 4.798 4.660 -0.180 0.000 0.351 518 W C 0.335 176.755 176.519 -0.166 0.000 1.292 518 W CA 0.808 58.069 57.345 -0.140 0.000 1.263 518 W CB 0.531 29.922 29.460 -0.116 0.000 1.165 518 W HN 0.592 nan 8.180 nan 0.000 0.590 519 D N -0.044 120.300 120.400 -0.094 0.000 2.717 519 D HA 0.278 4.812 4.640 -0.177 0.000 0.223 519 D C -1.910 174.155 176.300 -0.392 0.000 1.240 519 D CA -0.847 53.107 54.000 -0.077 0.000 0.801 519 D CB 1.214 42.001 40.800 -0.020 0.000 1.556 519 D HN 0.184 nan 8.370 nan 0.000 0.462 520 Y N 0.676 121.015 120.300 0.065 0.000 2.499 520 Y HA 0.349 4.793 4.550 -0.177 0.000 0.347 520 Y C 1.172 177.072 175.900 0.001 0.000 0.987 520 Y CA -0.898 57.216 58.100 0.025 0.000 1.044 520 Y CB 2.051 40.508 38.460 -0.004 0.000 1.245 520 Y HN 0.106 nan 8.280 nan 0.000 0.461 521 V N 0.359 120.333 119.914 0.100 0.000 2.725 521 V HA 0.042 4.056 4.120 -0.177 0.000 0.247 521 V C 0.436 176.561 176.094 0.051 0.000 1.058 521 V CA 1.319 63.645 62.300 0.043 0.000 1.080 521 V CB 0.036 31.853 31.823 -0.009 0.000 0.713 521 V HN 0.805 nan 8.190 nan 0.000 0.465 522 S N -2.268 113.476 115.700 0.072 0.000 2.615 522 S HA 0.290 4.654 4.470 -0.177 0.000 0.269 522 S C -0.191 174.455 174.600 0.076 0.000 1.161 522 S CA -0.519 57.714 58.200 0.055 0.000 0.817 522 S CB 1.430 64.646 63.200 0.027 0.000 1.131 522 S HN 0.085 nan 8.310 nan 0.000 0.467 523 D N 0.475 120.910 120.400 0.058 0.000 2.312 523 D HA 0.023 4.557 4.640 -0.177 0.000 0.211 523 D C -0.260 176.174 176.300 0.224 0.000 0.964 523 D CA 1.019 55.053 54.000 0.056 0.000 0.877 523 D CB -0.100 40.703 40.800 0.005 0.000 0.924 523 D HN 0.552 nan 8.370 nan 0.000 0.515 524 D N -0.023 120.527 120.400 0.250 0.000 2.615 524 D HA 0.142 4.676 4.640 -0.177 0.000 0.236 524 D C 0.312 176.721 176.300 0.180 0.000 1.233 524 D CA 0.004 54.245 54.000 0.401 0.000 0.829 524 D CB 0.524 41.487 40.800 0.272 0.000 1.024 524 D HN 0.036 nan 8.370 nan 0.000 0.490 525 M N 1.253 120.806 119.600 -0.078 0.000 2.446 525 M HA 0.316 4.690 4.480 -0.177 0.000 0.294 525 M C -2.664 173.215 176.300 -0.701 0.000 1.158 525 M CA -2.155 52.777 55.300 -0.614 0.000 0.899 525 M CB 2.731 35.153 32.600 -0.296 0.000 1.687 525 M HN -0.311 nan 8.290 nan 0.000 0.455 526 P HA 0.074 nan 4.420 nan 0.000 0.267 526 P C 0.216 177.444 177.300 -0.119 0.000 1.200 526 P CA 0.084 62.868 63.100 -0.527 0.000 0.772 526 P CB 0.322 31.694 31.700 -0.546 0.000 0.855 527 G N 2.841 111.657 108.800 0.025 0.000 2.554 527 G HA2 0.193 4.047 3.960 -0.177 0.000 0.238 527 G HA3 0.193 4.047 3.960 -0.177 0.000 0.238 527 G C 0.115 175.127 174.900 0.187 0.000 1.259 527 G CA -0.425 44.569 45.100 -0.177 0.000 0.843 527 G HN 0.792 nan 8.290 nan 0.000 0.582 528 N N 0.340 119.069 118.700 0.048 0.000 2.761 528 N HA 0.314 4.948 4.740 -0.177 0.000 0.283 528 N C -0.685 174.805 175.510 -0.034 0.000 1.377 528 N CA -1.085 52.001 53.050 0.060 0.000 0.791 528 N CB 1.756 40.232 38.487 -0.017 0.000 1.540 528 N HN 0.475 nan 8.380 nan 0.000 0.539 529 I N 0.107 120.622 120.570 -0.092 0.000 2.556 529 I HA 0.064 4.128 4.170 -0.177 0.000 0.284 529 I C 0.623 176.661 176.117 -0.131 0.000 1.114 529 I CA -0.428 60.781 61.300 -0.151 0.000 1.418 529 I CB 0.434 38.347 38.000 -0.144 0.000 1.394 529 I HN 0.552 nan 8.210 nan 0.000 0.552 530 K N 6.938 127.260 120.400 -0.129 0.000 2.368 530 K HA 0.554 4.768 4.320 -0.177 0.000 0.282 530 K C -1.025 175.492 176.600 -0.137 0.000 1.035 530 K CA -0.038 56.188 56.287 -0.101 0.000 0.973 530 K CB 0.578 33.038 32.500 -0.067 0.000 0.957 530 K HN 0.794 nan 8.250 nan 0.000 0.474 531 A N 4.064 126.813 122.820 -0.118 0.000 2.319 531 A HA 0.107 4.321 4.320 -0.177 0.000 0.298 531 A C -0.204 177.316 177.584 -0.106 0.000 1.003 531 A CA -0.914 51.041 52.037 -0.137 0.000 0.901 531 A CB 0.412 19.298 19.000 -0.189 0.000 1.042 531 A HN 0.726 nan 8.150 nan 0.000 0.352 532 K N 0.755 121.101 120.400 -0.090 0.000 1.984 532 K HA 0.059 4.273 4.320 -0.177 0.000 0.209 532 K C 0.737 177.295 176.600 -0.070 0.000 1.046 532 K CA 2.149 58.395 56.287 -0.068 0.000 0.934 532 K CB -0.630 31.837 32.500 -0.056 0.000 0.717 532 K HN 0.753 nan 8.250 nan 0.000 0.438 533 T N 0.070 114.577 114.554 -0.078 0.000 2.926 533 T HA 0.143 4.387 4.350 -0.177 0.000 0.289 533 T C 0.928 175.578 174.700 -0.084 0.000 1.054 533 T CA -0.697 61.367 62.100 -0.061 0.000 1.015 533 T CB 1.966 70.814 68.868 -0.035 0.000 1.167 533 T HN 0.272 nan 8.240 nan 0.000 0.526 534 H N 1.382 120.360 119.070 -0.154 0.000 2.265 534 H HA -0.143 4.307 4.556 -0.177 0.000 0.295 534 H C 0.732 175.960 175.328 -0.166 0.000 1.084 534 H CA 2.521 58.455 56.048 -0.189 0.000 1.261 534 H CB -0.304 29.333 29.762 -0.209 0.000 1.360 534 H HN 0.607 nan 8.280 nan 0.000 0.487 535 D N 0.174 120.565 120.400 -0.015 0.000 2.403 535 D HA -0.094 4.440 4.640 -0.177 0.000 0.227 535 D C 1.658 177.848 176.300 -0.183 0.000 0.995 535 D CA 0.775 54.718 54.000 -0.094 0.000 0.928 535 D CB -0.165 40.647 40.800 0.019 0.000 0.887 535 D HN 0.454 nan 8.370 nan 0.000 0.529 536 D N -0.073 120.210 120.400 -0.195 0.000 2.301 536 D HA -0.025 4.509 4.640 -0.177 0.000 0.206 536 D C 0.389 176.540 176.300 -0.248 0.000 0.979 536 D CA 0.082 53.971 54.000 -0.185 0.000 0.874 536 D CB 0.428 41.142 40.800 -0.143 0.000 0.968 536 D HN 0.141 nan 8.370 nan 0.000 0.510 537 L N 0.240 121.269 121.223 -0.324 0.000 2.439 537 L HA 0.482 4.716 4.340 -0.177 0.000 0.261 537 L C -2.327 174.295 176.870 -0.412 0.000 1.153 537 L CA -2.131 52.481 54.840 -0.381 0.000 0.808 537 L CB -1.133 40.691 42.059 -0.393 0.000 1.126 537 L HN -0.250 nan 8.230 nan 0.000 0.460 538 P HA -0.071 nan 4.420 nan 0.000 0.261 538 P C 0.296 177.397 177.300 -0.331 0.000 1.165 538 P CA 0.203 63.029 63.100 -0.457 0.000 0.759 538 P CB 0.482 31.733 31.700 -0.748 0.000 0.772 539 R N 3.098 123.439 120.500 -0.264 0.000 2.139 539 R HA -0.182 4.052 4.340 -0.177 0.000 0.243 539 R C 1.429 177.713 176.300 -0.026 0.000 1.145 539 R CA 1.723 57.656 56.100 -0.278 0.000 0.976 539 R CB -0.327 29.685 30.300 -0.480 0.000 0.866 539 R HN 0.438 nan 8.270 nan 0.000 0.449 540 D N -0.355 120.106 120.400 0.101 0.000 2.221 540 D HA -0.140 4.394 4.640 -0.177 0.000 0.204 540 D C 1.640 178.108 176.300 0.281 0.000 0.982 540 D CA 1.730 55.911 54.000 0.301 0.000 0.857 540 D CB 0.179 41.019 40.800 0.068 0.000 0.934 540 D HN 0.352 nan 8.370 nan 0.000 0.475 541 V N -2.123 117.827 119.914 0.060 0.000 3.660 541 V HA 0.149 4.163 4.120 -0.177 0.000 0.276 541 V C 0.897 177.058 176.094 0.112 0.000 1.317 541 V CA -0.196 62.184 62.300 0.134 0.000 1.097 541 V CB -0.140 31.632 31.823 -0.085 0.000 0.863 541 V HN -0.094 nan 8.190 nan 0.000 0.438 542 Q N 0.311 120.136 119.800 0.042 0.000 2.492 542 Q HA 0.252 4.486 4.340 -0.177 0.000 0.238 542 Q C -0.590 175.678 176.000 0.447 0.000 1.045 542 Q CA -0.472 55.336 55.803 0.009 0.000 0.934 542 Q CB 0.545 29.188 28.738 -0.158 0.000 1.276 542 Q HN 0.469 nan 8.270 nan 0.000 0.521 543 F N 1.021 121.259 119.950 0.480 0.000 2.484 543 F HA 0.037 4.457 4.527 -0.178 0.000 0.360 543 F C 0.711 176.674 175.800 0.270 0.000 1.101 543 F CA -0.267 57.914 58.000 0.303 0.000 1.251 543 F CB 0.581 39.636 39.000 0.092 0.000 1.132 543 F HN 0.375 nan 8.300 nan 0.000 0.570 544 T N 3.947 118.738 114.554 0.395 0.000 2.903 544 T HA -0.075 4.169 4.350 -0.177 0.000 0.314 544 T C 1.259 176.045 174.700 0.144 0.000 1.078 544 T CA -0.075 62.166 62.100 0.236 0.000 1.114 544 T CB 0.455 69.410 68.868 0.144 0.000 0.987 544 T HN 0.621 nan 8.240 nan 0.000 0.548 545 D N 1.023 121.523 120.400 0.167 0.000 2.149 545 D HA -0.180 4.354 4.640 -0.177 0.000 0.194 545 D C 1.925 178.262 176.300 0.062 0.000 1.001 545 D CA 1.532 55.616 54.000 0.140 0.000 0.849 545 D CB 0.061 40.974 40.800 0.187 0.000 0.939 545 D HN 0.621 nan 8.370 nan 0.000 0.449 546 E N 0.350 120.571 120.200 0.036 0.000 2.051 546 E HA -0.183 4.061 4.350 -0.177 0.000 0.192 546 E C 1.842 178.393 176.600 -0.082 0.000 0.991 546 E CA 1.301 57.698 56.400 -0.005 0.000 0.799 546 E CB -0.099 29.602 29.700 0.003 0.000 0.748 546 E HN 0.086 nan 8.360 nan 0.000 0.449 547 K N 0.153 120.426 120.400 -0.210 0.000 2.057 547 K HA -0.028 4.186 4.320 -0.177 0.000 0.207 547 K C 2.400 178.704 176.600 -0.493 0.000 1.049 547 K CA 1.279 57.200 56.287 -0.610 0.000 0.931 547 K CB -0.549 31.129 32.500 -1.369 0.000 0.714 547 K HN 0.080 nan 8.250 nan 0.000 0.440 548 S N 0.367 115.957 115.700 -0.184 0.000 2.345 548 S HA -0.159 4.205 4.470 -0.177 0.000 0.220 548 S C 2.434 177.098 174.600 0.108 0.000 1.031 548 S CA 1.805 60.056 58.200 0.086 0.000 0.996 548 S CB -0.277 62.972 63.200 0.082 0.000 0.882 548 S HN 0.505 nan 8.310 nan 0.000 0.445 549 R N 1.159 121.689 120.500 0.049 0.000 2.096 549 R HA -0.050 4.184 4.340 -0.177 0.000 0.240 549 R C 2.423 178.746 176.300 0.039 0.000 1.139 549 R CA 2.209 58.337 56.100 0.046 0.000 0.952 549 R CB -1.681 28.640 30.300 0.035 0.000 0.854 549 R HN 0.422 nan 8.270 nan 0.000 0.436 550 S N -1.092 114.622 115.700 0.023 0.000 2.355 550 S HA -0.141 4.223 4.470 -0.177 0.000 0.222 550 S C 1.916 176.546 174.600 0.050 0.000 1.031 550 S CA 1.424 59.642 58.200 0.031 0.000 0.993 550 S CB -0.530 62.680 63.200 0.018 0.000 0.859 550 S HN 0.709 nan 8.310 nan 0.000 0.453 551 Y N 1.963 122.251 120.300 -0.019 0.000 2.053 551 Y HA -0.236 4.208 4.550 -0.176 0.000 0.277 551 Y C 2.375 178.308 175.900 0.056 0.000 1.159 551 Y CA 2.457 60.587 58.100 0.051 0.000 1.125 551 Y CB -0.875 37.667 38.460 0.137 0.000 0.969 551 Y HN 0.349 nan 8.280 nan 0.000 0.492 552 Q N -0.211 119.558 119.800 -0.052 0.000 2.020 552 Q HA -0.150 4.084 4.340 -0.177 0.000 0.202 552 Q C 2.565 178.485 176.000 -0.133 0.000 0.982 552 Q CA 2.466 58.190 55.803 -0.131 0.000 0.838 552 Q CB -0.560 28.208 28.738 0.050 0.000 0.899 552 Q HN 0.688 nan 8.270 nan 0.000 0.423 553 E N 0.648 120.816 120.200 -0.053 0.000 2.049 553 E HA -0.245 3.999 4.350 -0.177 0.000 0.198 553 E C 1.987 178.562 176.600 -0.042 0.000 1.007 553 E CA 1.842 58.223 56.400 -0.033 0.000 0.809 553 E CB -1.134 28.569 29.700 0.005 0.000 0.749 553 E HN 0.377 nan 8.360 nan 0.000 0.450 554 S N -0.059 115.623 115.700 -0.029 0.000 2.419 554 S HA -0.002 4.362 4.470 -0.177 0.000 0.233 554 S C 1.503 176.081 174.600 -0.037 0.000 1.016 554 S CA 0.711 58.948 58.200 0.062 0.000 0.974 554 S CB -0.235 62.981 63.200 0.028 0.000 0.786 554 S HN 0.574 nan 8.310 nan 0.000 0.492 555 R N 2.249 122.593 120.500 -0.261 0.000 3.157 555 R HA 0.100 4.334 4.340 -0.177 0.000 0.290 555 R C 1.472 177.674 176.300 -0.163 0.000 1.050 555 R CA 1.400 57.304 56.100 -0.326 0.000 1.189 555 R CB -0.244 29.819 30.300 -0.395 0.000 1.179 555 R HN 0.093 nan 8.270 nan 0.000 0.536 556 K N 1.042 121.360 120.400 -0.138 0.000 2.588 556 K HA -0.112 4.102 4.320 -0.177 0.000 0.196 556 K C 1.833 178.341 176.600 -0.154 0.000 1.044 556 K CA 1.986 58.198 56.287 -0.126 0.000 0.934 556 K CB -1.236 31.193 32.500 -0.118 0.000 0.773 556 K HN 0.683 nan 8.250 nan 0.000 0.489 557 A N 0.519 123.253 122.820 -0.142 0.000 1.897 557 A HA 0.349 4.563 4.320 -0.177 0.000 0.215 557 A C 2.687 180.180 177.584 -0.152 0.000 1.181 557 A CA 1.425 53.386 52.037 -0.127 0.000 0.620 557 A CB -0.473 18.468 19.000 -0.098 0.000 0.821 557 A HN 0.989 nan 8.150 nan 0.000 0.443 558 A N -0.130 122.581 122.820 -0.181 0.000 2.239 558 A HA 0.226 4.440 4.320 -0.177 0.000 0.209 558 A C 1.919 179.243 177.584 -0.433 0.000 1.171 558 A CA 1.110 52.959 52.037 -0.313 0.000 0.768 558 A CB -0.722 18.083 19.000 -0.326 0.000 0.790 558 A HN 0.946 nan 8.150 nan 0.000 0.478 559 L N -1.718 119.343 121.223 -0.270 0.000 2.072 559 L HA -0.032 4.202 4.340 -0.177 0.000 0.205 559 L C 1.939 178.723 176.870 -0.143 0.000 1.079 559 L CA 1.926 56.656 54.840 -0.184 0.000 0.752 559 L CB -1.174 40.803 42.059 -0.137 0.000 0.906 559 L HN 0.008 nan 8.230 nan 0.000 0.436 560 V N 1.004 120.825 119.914 -0.156 0.000 2.407 560 V HA -0.206 3.808 4.120 -0.177 0.000 0.248 560 V C 2.070 178.108 176.094 -0.094 0.000 1.055 560 V CA 1.973 64.206 62.300 -0.111 0.000 1.049 560 V CB -1.322 30.436 31.823 -0.109 0.000 0.662 560 V HN 0.519 nan 8.190 nan 0.000 0.455 561 N N -0.035 118.584 118.700 -0.135 0.000 2.515 561 N HA 0.052 4.686 4.740 -0.177 0.000 0.185 561 N C 1.395 176.839 175.510 -0.110 0.000 1.109 561 N CA 0.647 53.630 53.050 -0.112 0.000 0.903 561 N CB -0.189 38.221 38.487 -0.129 0.000 0.969 561 N HN 0.428 nan 8.380 nan 0.000 0.450 562 L N -1.073 120.064 121.223 -0.143 0.000 2.477 562 L HA 0.225 4.459 4.340 -0.177 0.000 0.220 562 L C 0.830 177.711 176.870 0.017 0.000 1.106 562 L CA 0.055 54.845 54.840 -0.082 0.000 0.851 562 L CB -0.121 41.846 42.059 -0.153 0.000 0.994 562 L HN 0.193 nan 8.230 nan 0.000 0.462 563 G N 0.914 109.720 108.800 0.009 0.000 2.256 563 G HA2 -0.264 3.590 3.960 -0.177 0.000 0.272 563 G HA3 -0.264 3.590 3.960 -0.177 0.000 0.272 563 G C 0.444 175.384 174.900 0.067 0.000 1.076 563 G CA 0.467 45.588 45.100 0.035 0.000 0.882 563 G HN 0.426 nan 8.290 nan 0.000 0.497 564 I N -0.799 119.839 120.570 0.113 0.000 4.323 564 I HA 0.183 4.247 4.170 -0.177 0.000 0.328 564 I C 2.720 179.037 176.117 0.333 0.000 1.310 564 I CA 0.344 61.746 61.300 0.170 0.000 1.186 564 I CB -0.299 37.803 38.000 0.170 0.000 1.130 564 I HN 0.233 nan 8.210 nan 0.000 0.411 565 G N 2.374 111.347 108.800 0.288 0.000 2.728 565 G HA2 -0.450 3.404 3.960 -0.177 0.000 0.224 565 G HA3 -0.450 3.404 3.960 -0.177 0.000 0.224 565 G C 1.785 176.826 174.900 0.234 0.000 1.139 565 G CA 2.057 47.257 45.100 0.167 0.000 0.761 565 G HN 0.524 nan 8.290 nan 0.000 0.621 566 S N 0.615 116.386 115.700 0.118 0.000 2.368 566 S HA 0.024 4.388 4.470 -0.177 0.000 0.224 566 S C 2.401 177.004 174.600 0.006 0.000 1.029 566 S CA 1.306 59.531 58.200 0.042 0.000 0.988 566 S CB -0.465 62.727 63.200 -0.013 0.000 0.838 566 S HN 0.360 nan 8.310 nan 0.000 0.462 567 L N -0.310 120.892 121.223 -0.036 0.000 2.189 567 L HA -0.113 4.121 4.340 -0.177 0.000 0.214 567 L C 2.454 179.152 176.870 -0.285 0.000 1.097 567 L CA 1.437 56.148 54.840 -0.215 0.000 0.764 567 L CB -0.985 40.924 42.059 -0.249 0.000 0.900 567 L HN 0.255 nan 8.230 nan 0.000 0.436 568 F N 0.450 120.264 119.950 -0.226 0.000 2.095 568 F HA -0.194 4.227 4.527 -0.177 0.000 0.298 568 F C 2.526 178.054 175.800 -0.452 0.000 1.104 568 F CA 1.661 59.501 58.000 -0.267 0.000 1.232 568 F CB -1.053 37.858 39.000 -0.147 0.000 0.987 568 F HN -0.036 nan 8.300 nan 0.000 0.475 569 T N 0.484 114.978 114.554 -0.101 0.000 3.194 569 T HA 0.089 4.333 4.350 -0.177 0.000 0.251 569 T C 0.600 175.130 174.700 -0.284 0.000 1.132 569 T CA 0.404 62.448 62.100 -0.093 0.000 1.028 569 T CB -0.503 68.415 68.868 0.083 0.000 0.976 569 T HN 0.015 nan 8.240 nan 0.000 0.535 570 M N 1.514 120.782 119.600 -0.554 0.000 2.047 570 M HA 0.370 4.744 4.480 -0.177 0.000 0.342 570 M C -0.648 175.257 176.300 -0.658 0.000 1.058 570 M CA -0.421 54.622 55.300 -0.428 0.000 0.991 570 M CB 0.861 33.260 32.600 -0.334 0.000 1.474 570 M HN 0.054 nan 8.290 nan 0.000 0.419 571 F N -0.041 119.838 119.950 -0.118 0.000 2.668 571 F HA 0.277 4.698 4.527 -0.177 0.000 0.297 571 F C 1.524 177.247 175.800 -0.129 0.000 1.124 571 F CA -0.332 57.604 58.000 -0.108 0.000 1.353 571 F CB -0.820 38.140 39.000 -0.068 0.000 0.992 571 F HN 0.601 nan 8.300 nan 0.000 0.524 572 E N 0.460 120.610 120.200 -0.083 0.000 2.620 572 E HA 0.420 4.664 4.350 -0.177 0.000 0.255 572 E C -0.109 176.371 176.600 -0.200 0.000 1.346 572 E CA -0.364 55.958 56.400 -0.129 0.000 1.013 572 E CB 0.252 29.839 29.700 -0.189 0.000 1.131 572 E HN 0.311 nan 8.360 nan 0.000 0.608 573 N N -1.879 116.712 118.700 -0.182 0.000 2.593 573 N HA 0.605 5.239 4.740 -0.177 0.000 0.304 573 N C -1.044 174.292 175.510 -0.290 0.000 1.296 573 N CA -0.414 52.556 53.050 -0.133 0.000 0.950 573 N CB 0.470 38.937 38.487 -0.034 0.000 1.127 573 N HN 0.688 nan 8.380 nan 0.000 0.587 574 W N -0.395 120.759 121.300 -0.243 0.000 2.719 574 W HA 0.389 4.943 4.660 -0.176 0.000 0.352 574 W C 0.503 176.899 176.519 -0.206 0.000 1.085 574 W CA -0.511 56.636 57.345 -0.331 0.000 1.187 574 W CB 0.945 29.996 29.460 -0.682 0.000 1.417 574 W HN 0.417 nan 8.180 nan 0.000 0.557 575 D N 0.379 120.818 120.400 0.065 0.000 2.289 575 D HA -0.009 4.525 4.640 -0.177 0.000 0.207 575 D C 0.381 176.690 176.300 0.016 0.000 0.966 575 D CA 0.967 54.979 54.000 0.019 0.000 0.868 575 D CB 0.338 41.143 40.800 0.009 0.000 0.943 575 D HN 0.241 nan 8.370 nan 0.000 0.514 576 S N -1.814 113.921 115.700 0.058 0.000 2.587 576 S HA 0.246 4.610 4.470 -0.177 0.000 0.269 576 S C 0.360 175.044 174.600 0.140 0.000 1.154 576 S CA -0.873 57.335 58.200 0.014 0.000 0.824 576 S CB 0.452 63.695 63.200 0.071 0.000 1.118 576 S HN -0.003 nan 8.310 nan 0.000 0.462 577 Y N 0.784 121.231 120.300 0.245 0.000 2.070 577 Y HA -0.181 4.263 4.550 -0.176 0.000 0.280 577 Y C 2.184 178.279 175.900 0.325 0.000 1.148 577 Y CA 1.546 59.785 58.100 0.231 0.000 1.125 577 Y CB -0.327 38.364 38.460 0.385 0.000 0.975 577 Y HN 0.633 nan 8.280 nan 0.000 0.492 578 D N 0.053 120.780 120.400 0.545 0.000 2.311 578 D HA -0.169 4.365 4.640 -0.177 0.000 0.212 578 D C 1.513 178.066 176.300 0.422 0.000 0.972 578 D CA 1.057 55.375 54.000 0.530 0.000 0.887 578 D CB -0.393 40.672 40.800 0.443 0.000 0.915 578 D HN 0.395 nan 8.370 nan 0.000 0.497 579 D N -0.290 120.278 120.400 0.281 0.000 2.097 579 D HA -0.165 4.369 4.640 -0.177 0.000 0.195 579 D C 1.848 178.209 176.300 0.101 0.000 0.989 579 D CA 0.691 54.833 54.000 0.236 0.000 0.827 579 D CB -0.256 40.726 40.800 0.303 0.000 0.966 579 D HN 0.318 nan 8.370 nan 0.000 0.456 580 Y N 0.893 120.945 120.300 -0.414 0.000 2.219 580 Y HA -0.266 4.178 4.550 -0.176 0.000 0.283 580 Y C 2.449 178.119 175.900 -0.382 0.000 1.191 580 Y CA 1.363 58.865 58.100 -0.998 0.000 1.199 580 Y CB -0.590 37.155 38.460 -1.191 0.000 0.972 580 Y HN 0.279 nan 8.280 nan 0.000 0.527 581 H N -0.095 119.031 119.070 0.094 0.000 2.478 581 H HA -0.235 4.215 4.556 -0.177 0.000 0.294 581 H C 2.109 177.086 175.328 -0.585 0.000 1.125 581 H CA 1.938 57.784 56.048 -0.336 0.000 1.225 581 H CB -0.575 29.031 29.762 -0.259 0.000 1.360 581 H HN 0.450 nan 8.280 nan 0.000 0.519 582 I N 0.492 121.015 120.570 -0.078 0.000 2.099 582 I HA -0.304 3.760 4.170 -0.177 0.000 0.239 582 I C 2.460 178.560 176.117 -0.029 0.000 1.066 582 I CA 1.082 62.368 61.300 -0.024 0.000 1.324 582 I CB -0.733 37.340 38.000 0.123 0.000 1.037 582 I HN 0.075 nan 8.210 nan 0.000 0.401 583 L N 0.362 121.612 121.223 0.045 0.000 2.408 583 L HA -0.262 3.972 4.340 -0.177 0.000 0.220 583 L C 2.048 179.083 176.870 0.276 0.000 1.112 583 L CA 1.517 56.441 54.840 0.139 0.000 0.782 583 L CB -0.812 41.325 42.059 0.131 0.000 0.898 583 L HN 0.588 nan 8.230 nan 0.000 0.442 584 Y N -3.629 116.829 120.300 0.264 0.000 2.588 584 Y HA 0.457 4.902 4.550 -0.176 0.000 0.247 584 Y C 2.123 178.177 175.900 0.256 0.000 1.157 584 Y CA -0.119 58.172 58.100 0.318 0.000 1.215 584 Y CB -1.130 37.446 38.460 0.193 0.000 1.245 584 Y HN -0.109 nan 8.280 nan 0.000 0.534 585 R N 1.631 122.331 120.500 0.333 0.000 2.073 585 R HA -0.075 4.159 4.340 -0.177 0.000 0.234 585 R C 1.107 177.570 176.300 0.271 0.000 1.134 585 R CA 2.059 58.327 56.100 0.280 0.000 0.952 585 R CB -1.579 28.799 30.300 0.130 0.000 0.850 585 R HN 0.555 nan 8.270 nan 0.000 0.433 586 N N -0.724 118.124 118.700 0.248 0.000 2.362 586 N HA -0.023 4.611 4.740 -0.177 0.000 0.211 586 N C -0.496 175.191 175.510 0.295 0.000 1.170 586 N CA -0.070 53.105 53.050 0.209 0.000 0.828 586 N CB 0.236 38.798 38.487 0.125 0.000 1.034 586 N HN 0.675 nan 8.380 nan 0.000 0.475 587 W N 1.692 123.094 121.300 0.169 0.000 1.843 587 W HA 0.413 4.966 4.660 -0.178 0.000 0.309 587 W C 1.206 177.830 176.519 0.176 0.000 0.773 587 W CA -1.697 55.772 57.345 0.207 0.000 2.405 587 W CB -1.031 28.589 29.460 0.266 0.000 2.324 587 W HN -0.078 nan 8.180 nan 0.000 0.517 588 I N 1.272 122.088 120.570 0.410 0.000 2.236 588 I HA -0.236 3.828 4.170 -0.177 0.000 0.249 588 I C 1.446 177.705 176.117 0.236 0.000 1.102 588 I CA 1.436 62.889 61.300 0.255 0.000 1.365 588 I CB -1.074 37.037 38.000 0.185 0.000 1.051 588 I HN 0.190 nan 8.210 nan 0.000 0.420 589 L N -0.104 121.338 121.223 0.364 0.000 2.483 589 L HA 0.383 4.617 4.340 -0.177 0.000 0.277 589 L C 1.899 178.870 176.870 0.167 0.000 1.248 589 L CA 1.035 56.050 54.840 0.292 0.000 0.825 589 L CB 0.300 42.593 42.059 0.391 0.000 1.096 589 L HN 0.712 nan 8.230 nan 0.000 0.512 590 G N 1.241 110.109 108.800 0.113 0.000 2.343 590 G HA2 -0.254 3.600 3.960 -0.177 0.000 0.264 590 G HA3 -0.254 3.600 3.960 -0.177 0.000 0.264 590 G C 0.764 175.617 174.900 -0.078 0.000 0.989 590 G CA 0.676 45.788 45.100 0.020 0.000 0.627 590 G HN 1.638 nan 8.290 nan 0.000 0.549 591 G N -2.131 106.614 108.800 -0.090 0.000 2.660 591 G HA2 0.249 4.103 3.960 -0.177 0.000 0.215 591 G HA3 0.249 4.103 3.960 -0.177 0.000 0.215 591 G C -0.055 174.691 174.900 -0.256 0.000 1.345 591 G CA 0.191 45.215 45.100 -0.125 0.000 0.877 591 G HN 1.544 nan 8.290 nan 0.000 0.549 592 T N 3.009 117.411 114.554 -0.255 0.000 2.907 592 T HA 0.526 4.770 4.350 -0.177 0.000 0.298 592 T C -2.012 172.428 174.700 -0.433 0.000 1.017 592 T CA -0.158 61.691 62.100 -0.418 0.000 1.118 592 T CB 1.207 69.913 68.868 -0.270 0.000 0.948 592 T HN 0.547 nan 8.240 nan 0.000 0.531 593 P HA 0.091 nan 4.420 nan 0.000 0.266 593 P C 0.785 177.943 177.300 -0.236 0.000 1.195 593 P CA -0.308 62.564 63.100 -0.379 0.000 0.768 593 P CB 0.483 31.957 31.700 -0.377 0.000 0.838 594 N N 2.526 121.128 118.700 -0.164 0.000 2.000 594 N HA -0.168 4.466 4.740 -0.177 0.000 0.198 594 N C 1.242 176.641 175.510 -0.186 0.000 1.057 594 N CA 1.652 54.596 53.050 -0.177 0.000 0.858 594 N CB -0.814 37.588 38.487 -0.142 0.000 1.057 594 N HN 0.352 nan 8.380 nan 0.000 0.423 595 M N 1.138 120.672 119.600 -0.110 0.000 2.706 595 M HA 0.077 4.451 4.480 -0.177 0.000 0.251 595 M C 1.671 178.061 176.300 0.151 0.000 1.070 595 M CA -0.153 55.141 55.300 -0.010 0.000 1.073 595 M CB -1.007 31.636 32.600 0.072 0.000 1.449 595 M HN 0.233 nan 8.290 nan 0.000 0.531 596 A N 0.382 123.229 122.820 0.045 0.000 2.234 596 A HA -0.130 4.084 4.320 -0.177 0.000 0.216 596 A C 1.282 178.923 177.584 0.094 0.000 1.167 596 A CA 1.886 53.932 52.037 0.017 0.000 0.698 596 A CB -0.760 18.232 19.000 -0.012 0.000 0.779 596 A HN 0.614 nan 8.150 nan 0.000 0.475 597 D N -2.595 117.874 120.400 0.115 0.000 2.538 597 D HA 0.029 4.563 4.640 -0.177 0.000 0.241 597 D C 0.960 177.321 176.300 0.102 0.000 1.297 597 D CA 0.178 54.254 54.000 0.127 0.000 0.804 597 D CB -0.352 40.438 40.800 -0.016 0.000 1.122 597 D HN 0.567 nan 8.370 nan 0.000 0.519 598 R N 0.099 120.598 120.500 -0.002 0.000 2.555 598 R HA 0.171 4.405 4.340 -0.177 0.000 0.312 598 R C 1.566 177.710 176.300 -0.260 0.000 0.938 598 R CA -0.385 55.533 56.100 -0.303 0.000 1.112 598 R CB -0.854 29.029 30.300 -0.696 0.000 1.535 598 R HN 0.124 nan 8.270 nan 0.000 0.525 599 W N 4.156 125.468 121.300 0.020 0.000 2.305 599 W HA -0.273 4.281 4.660 -0.177 0.000 0.308 599 W C 1.390 177.951 176.519 0.069 0.000 1.226 599 W CA 1.960 59.368 57.345 0.106 0.000 1.253 599 W CB -1.377 28.210 29.460 0.210 0.000 1.146 599 W HN 0.259 nan 8.180 nan 0.000 0.507 600 H N 0.627 118.728 119.070 -1.615 0.000 2.456 600 H HA 0.081 4.531 4.556 -0.176 0.000 0.296 600 H C -0.233 174.753 175.328 -0.570 0.000 1.079 600 H CA 1.203 56.333 56.048 -1.529 0.000 1.322 600 H CB -1.088 27.662 29.762 -1.686 0.000 1.388 600 H HN 0.231 nan 8.280 nan 0.000 0.538 601 E N 1.846 121.584 120.200 -0.770 0.000 2.257 601 E HA -0.007 4.237 4.350 -0.177 0.000 0.278 601 E C 0.074 176.670 176.600 -0.007 0.000 1.049 601 E CA -0.285 55.927 56.400 -0.312 0.000 0.876 601 E CB 0.933 30.504 29.700 -0.216 0.000 1.035 601 E HN 0.242 nan 8.360 nan 0.000 0.419 602 D N 2.429 122.860 120.400 0.051 0.000 2.154 602 D HA -0.268 4.266 4.640 -0.177 0.000 0.190 602 D C 1.790 178.229 176.300 0.232 0.000 1.003 602 D CA 1.444 55.573 54.000 0.215 0.000 0.849 602 D CB 0.022 40.943 40.800 0.201 0.000 0.942 602 D HN 0.395 nan 8.370 nan 0.000 0.446 603 R N -0.419 120.099 120.500 0.030 0.000 2.113 603 R HA -0.191 4.043 4.340 -0.177 0.000 0.244 603 R C 2.004 178.161 176.300 -0.239 0.000 1.142 603 R CA 1.753 57.739 56.100 -0.189 0.000 0.953 603 R CB -0.540 29.454 30.300 -0.510 0.000 0.860 603 R HN 0.346 nan 8.270 nan 0.000 0.438 604 W N -0.738 120.596 121.300 0.057 0.000 2.678 604 W HA -0.011 4.542 4.660 -0.177 0.000 0.256 604 W C 1.826 178.457 176.519 0.187 0.000 1.280 604 W CA -0.303 57.082 57.345 0.067 0.000 1.345 604 W CB -0.229 29.182 29.460 -0.080 0.000 1.118 604 W HN 0.111 nan 8.180 nan 0.000 0.629 605 F N 0.813 120.910 119.950 0.245 0.000 2.259 605 F HA 0.053 4.475 4.527 -0.176 0.000 0.298 605 F C 2.093 178.139 175.800 0.410 0.000 1.088 605 F CA 1.956 60.117 58.000 0.268 0.000 1.358 605 F CB -0.699 38.441 39.000 0.233 0.000 1.040 605 F HN -0.153 nan 8.300 nan 0.000 0.505 606 G N -1.298 107.731 108.800 0.382 0.000 2.396 606 G HA2 -0.286 3.568 3.960 -0.177 0.000 0.214 606 G HA3 -0.286 3.568 3.960 -0.177 0.000 0.214 606 G C 1.607 176.585 174.900 0.130 0.000 1.166 606 G CA 0.612 45.882 45.100 0.283 0.000 0.793 606 G HN 0.494 nan 8.290 nan 0.000 0.533 607 Y N 1.528 121.822 120.300 -0.009 0.000 2.096 607 Y HA -0.348 4.097 4.550 -0.176 0.000 0.278 607 Y C 3.012 178.919 175.900 0.011 0.000 1.192 607 Y CA 2.586 60.674 58.100 -0.020 0.000 1.143 607 Y CB -0.037 38.470 38.460 0.080 0.000 0.963 607 Y HN 0.286 nan 8.280 nan 0.000 0.505 608 Q N -1.191 118.780 119.800 0.286 0.000 2.291 608 Q HA -0.179 4.055 4.340 -0.177 0.000 0.206 608 Q C 1.764 177.640 176.000 -0.206 0.000 0.976 608 Q CA 1.256 57.109 55.803 0.082 0.000 0.875 608 Q CB -0.332 28.367 28.738 -0.065 0.000 0.927 608 Q HN 0.553 nan 8.270 nan 0.000 0.450 609 F N -0.149 119.660 119.950 -0.234 0.000 2.699 609 F HA -0.037 4.384 4.527 -0.177 0.000 0.298 609 F C 1.666 177.259 175.800 -0.345 0.000 1.154 609 F CA 0.728 58.521 58.000 -0.346 0.000 1.457 609 F CB 0.259 38.864 39.000 -0.658 0.000 1.106 609 F HN 0.022 nan 8.300 nan 0.000 0.585 610 L N -1.466 119.650 121.223 -0.177 0.000 2.526 610 L HA 0.139 4.373 4.340 -0.177 0.000 0.210 610 L C 1.070 178.028 176.870 0.145 0.000 1.048 610 L CA 0.390 55.140 54.840 -0.150 0.000 0.852 610 L CB -0.049 41.766 42.059 -0.408 0.000 1.128 610 L HN -0.076 nan 8.230 nan 0.000 0.482 611 N N 0.188 118.867 118.700 -0.036 0.000 2.200 611 N HA 0.148 4.782 4.740 -0.177 0.000 0.224 611 N C 0.627 176.348 175.510 0.352 0.000 1.179 611 N CA 0.221 53.333 53.050 0.104 0.000 0.877 611 N CB 1.385 39.919 38.487 0.079 0.000 1.072 611 N HN 0.159 nan 8.380 nan 0.000 0.519 612 G N 0.368 109.273 108.800 0.175 0.000 2.546 612 G HA2 0.392 4.246 3.960 -0.177 0.000 0.239 612 G HA3 0.392 4.246 3.960 -0.177 0.000 0.239 612 G C 0.817 175.683 174.900 -0.056 0.000 1.476 612 G CA 0.350 45.538 45.100 0.146 0.000 1.064 612 G HN 0.138 nan 8.290 nan 0.000 0.561 613 A N -1.378 121.220 122.820 -0.371 0.000 2.195 613 A HA 0.222 4.436 4.320 -0.177 0.000 0.210 613 A C 1.319 178.693 177.584 -0.350 0.000 1.165 613 A CA 0.269 51.942 52.037 -0.606 0.000 0.806 613 A CB -0.163 18.063 19.000 -1.291 0.000 0.847 613 A HN 0.529 nan 8.150 nan 0.000 0.482 614 N N 0.319 118.860 118.700 -0.266 0.000 2.735 614 N HA 0.212 4.846 4.740 -0.177 0.000 0.312 614 N C -2.403 173.074 175.510 -0.056 0.000 1.843 614 N CA -1.359 51.674 53.050 -0.029 0.000 0.945 614 N CB 0.799 39.332 38.487 0.078 0.000 1.299 614 N HN 0.031 nan 8.380 nan 0.000 0.489 615 P HA -0.049 nan 4.420 nan 0.000 0.242 615 P C 0.752 178.033 177.300 -0.032 0.000 1.198 615 P CA 0.431 63.425 63.100 -0.176 0.000 0.756 615 P CB 0.331 31.557 31.700 -0.790 0.000 0.911 616 V N 0.070 119.993 119.914 0.015 0.000 6.227 616 V HA -0.048 3.966 4.120 -0.177 0.000 0.208 616 V C 2.352 178.485 176.094 0.064 0.000 1.547 616 V CA 0.297 62.657 62.300 0.101 0.000 0.816 616 V CB -1.221 30.708 31.823 0.177 0.000 1.454 616 V HN 0.057 nan 8.190 nan 0.000 0.355 617 I N -1.076 119.516 120.570 0.036 0.000 4.613 617 I HA -0.421 3.643 4.170 -0.177 0.000 0.067 617 I C 1.135 177.190 176.117 -0.103 0.000 0.627 617 I CA 1.570 62.788 61.300 -0.138 0.000 0.700 617 I CB -1.771 36.005 38.000 -0.375 0.000 0.645 617 I HN 0.417 nan 8.210 nan 0.000 0.174 618 L N 3.188 124.359 121.223 -0.087 0.000 2.776 618 L HA 0.030 4.264 4.340 -0.177 0.000 0.283 618 L C 0.438 177.285 176.870 -0.037 0.000 1.194 618 L CA 1.848 56.624 54.840 -0.107 0.000 0.947 618 L CB -0.128 41.791 42.059 -0.233 0.000 1.255 618 L HN 0.700 nan 8.230 nan 0.000 0.481 619 T N 3.066 117.635 114.554 0.026 0.000 2.900 619 T HA 0.424 4.668 4.350 -0.177 0.000 0.295 619 T C -0.195 174.575 174.700 0.117 0.000 1.044 619 T CA -1.112 61.029 62.100 0.069 0.000 0.995 619 T CB 1.330 70.213 68.868 0.024 0.000 1.072 619 T HN 0.681 nan 8.240 nan 0.000 0.473 620 R N 0.698 121.253 120.500 0.091 0.000 2.537 620 R HA 0.327 4.561 4.340 -0.177 0.000 0.280 620 R C -0.425 175.779 176.300 -0.161 0.000 1.058 620 R CA -0.480 55.502 56.100 -0.197 0.000 1.057 620 R CB 0.065 30.229 30.300 -0.227 0.000 0.973 620 R HN 0.828 nan 8.270 nan 0.000 0.438 621 C N 5.910 125.079 119.300 -0.218 0.000 2.256 621 C HA 0.205 4.559 4.460 -0.177 0.000 0.333 621 C C 0.816 175.738 174.990 -0.112 0.000 1.183 621 C CA -0.786 58.172 59.018 -0.100 0.000 1.692 621 C CB -0.471 27.245 27.740 -0.039 0.000 2.274 621 C HN 0.828 nan 8.230 nan 0.000 0.509 622 D N 3.146 123.501 120.400 -0.075 0.000 2.289 622 D HA 0.194 4.728 4.640 -0.177 0.000 0.207 622 D C 0.615 176.887 176.300 -0.047 0.000 0.966 622 D CA 0.957 54.916 54.000 -0.067 0.000 0.868 622 D CB 0.423 41.193 40.800 -0.050 0.000 0.943 622 D HN 0.756 nan 8.370 nan 0.000 0.514 623 A N 0.191 122.993 122.820 -0.030 0.000 2.547 623 A HA 0.383 4.597 4.320 -0.177 0.000 0.298 623 A C -0.948 176.639 177.584 0.005 0.000 1.062 623 A CA -0.675 51.351 52.037 -0.018 0.000 0.748 623 A CB 0.601 19.593 19.000 -0.014 0.000 1.288 623 A HN 0.047 nan 8.150 nan 0.000 0.396 624 L N 4.044 125.268 121.223 0.002 0.000 2.559 624 L HA 0.193 4.427 4.340 -0.177 0.000 0.274 624 L C -1.388 175.524 176.870 0.071 0.000 1.205 624 L CA -0.985 53.875 54.840 0.032 0.000 0.907 624 L CB 0.492 42.534 42.059 -0.027 0.000 1.153 624 L HN 0.556 nan 8.230 nan 0.000 0.490 625 P HA -0.010 nan 4.420 nan 0.000 0.264 625 P C 0.655 178.028 177.300 0.123 0.000 1.193 625 P CA -0.204 62.969 63.100 0.121 0.000 0.763 625 P CB 0.804 32.589 31.700 0.141 0.000 0.810 626 S N 2.509 118.256 115.700 0.079 0.000 2.461 626 S HA -0.261 4.103 4.470 -0.177 0.000 0.246 626 S C 1.031 175.681 174.600 0.084 0.000 1.007 626 S CA 1.610 59.849 58.200 0.066 0.000 0.976 626 S CB -1.245 61.982 63.200 0.045 0.000 0.763 626 S HN 0.744 nan 8.310 nan 0.000 0.508 627 N N -0.998 117.770 118.700 0.113 0.000 2.204 627 N HA 0.228 4.862 4.740 -0.177 0.000 0.219 627 N C -0.337 175.299 175.510 0.210 0.000 1.151 627 N CA -0.527 52.594 53.050 0.119 0.000 0.867 627 N CB 0.182 38.717 38.487 0.081 0.000 1.043 627 N HN 0.303 nan 8.380 nan 0.000 0.516 628 F N 1.724 121.685 119.950 0.019 0.000 2.449 628 F HA 0.534 4.955 4.527 -0.177 0.000 0.344 628 F C -2.652 173.159 175.800 0.018 0.000 1.180 628 F CA -3.510 54.500 58.000 0.016 0.000 1.209 628 F CB 1.331 40.342 39.000 0.018 0.000 1.440 628 F HN -0.084 nan 8.300 nan 0.000 0.526 629 P HA -0.009 nan 4.420 nan 0.000 0.262 629 P C -0.153 177.128 177.300 -0.031 0.000 1.647 629 P CA 0.466 63.576 63.100 0.017 0.000 0.865 629 P CB -0.360 31.382 31.700 0.070 0.000 1.834 630 V N 0.685 120.435 119.914 -0.274 0.000 2.585 630 V HA 0.139 4.153 4.120 -0.177 0.000 0.296 630 V C 1.105 177.217 176.094 0.030 0.000 1.035 630 V CA 0.372 62.544 62.300 -0.214 0.000 1.084 630 V CB 0.314 31.783 31.823 -0.589 0.000 0.953 630 V HN 0.314 nan 8.190 nan 0.000 0.483 631 T N 0.705 115.420 114.554 0.270 0.000 2.924 631 T HA 0.298 4.542 4.350 -0.177 0.000 0.291 631 T C 0.922 175.550 174.700 -0.120 0.000 1.045 631 T CA -0.741 61.306 62.100 -0.089 0.000 1.015 631 T CB 1.559 70.228 68.868 -0.331 0.000 1.103 631 T HN 0.426 nan 8.240 nan 0.000 0.496 632 N N 0.690 119.309 118.700 -0.134 0.000 2.205 632 N HA -0.160 4.474 4.740 -0.177 0.000 0.186 632 N C 1.996 177.419 175.510 -0.145 0.000 1.015 632 N CA 1.749 54.724 53.050 -0.124 0.000 0.862 632 N CB -0.383 38.036 38.487 -0.114 0.000 0.986 632 N HN 0.938 nan 8.380 nan 0.000 0.429 633 E N 0.261 120.334 120.200 -0.211 0.000 2.472 633 E HA -0.147 4.097 4.350 -0.177 0.000 0.200 633 E C 1.422 177.890 176.600 -0.220 0.000 1.046 633 E CA 0.822 57.086 56.400 -0.228 0.000 0.871 633 E CB -0.639 28.902 29.700 -0.266 0.000 0.806 633 E HN 0.521 nan 8.360 nan 0.000 0.533 634 H N -0.791 118.214 119.070 -0.109 0.000 2.297 634 H HA 0.118 4.568 4.556 -0.177 0.000 0.317 634 H C 2.430 177.704 175.328 -0.090 0.000 1.062 634 H CA 1.500 57.489 56.048 -0.099 0.000 1.431 634 H CB -0.305 29.390 29.762 -0.113 0.000 1.452 634 H HN 0.307 nan 8.280 nan 0.000 0.565 635 V N 1.407 121.352 119.914 0.053 0.000 2.229 635 V HA -0.233 3.781 4.120 -0.177 0.000 0.243 635 V C 2.414 178.460 176.094 -0.080 0.000 1.042 635 V CA 2.191 64.480 62.300 -0.019 0.000 1.000 635 V CB -1.519 30.259 31.823 -0.076 0.000 0.637 635 V HN 0.759 nan 8.190 nan 0.000 0.446 636 N N 0.319 118.945 118.700 -0.124 0.000 1.972 636 N HA -0.495 4.139 4.740 -0.177 0.000 0.131 636 N C 1.950 177.366 175.510 -0.156 0.000 0.187 636 N CA 4.072 57.033 53.050 -0.148 0.000 1.494 636 N CB -1.738 36.665 38.487 -0.140 0.000 1.036 636 N HN 1.037 nan 8.380 nan 0.000 0.738 637 A N -0.183 122.513 122.820 -0.207 0.000 1.923 637 A HA -0.079 4.135 4.320 -0.177 0.000 0.222 637 A C 2.126 179.667 177.584 -0.072 0.000 1.258 637 A CA 3.532 55.415 52.037 -0.258 0.000 0.670 637 A CB -1.250 17.286 19.000 -0.773 0.000 0.834 637 A HN 1.972 nan 8.150 nan 0.000 0.470 638 S N -0.734 115.002 115.700 0.060 0.000 3.324 638 S HA 0.617 4.981 4.470 -0.177 0.000 0.229 638 S C -0.333 174.221 174.600 -0.076 0.000 1.417 638 S CA -0.313 57.943 58.200 0.093 0.000 1.211 638 S CB -0.499 62.793 63.200 0.153 0.000 1.157 638 S HN 0.326 nan 8.310 nan 0.000 0.491 639 L N 1.465 122.601 121.223 -0.145 0.000 2.457 639 L HA 0.503 4.737 4.340 -0.177 0.000 0.266 639 L C 0.389 177.240 176.870 -0.032 0.000 0.979 639 L CA -0.330 54.303 54.840 -0.345 0.000 0.857 639 L CB 1.278 43.088 42.059 -0.414 0.000 1.213 639 L HN 0.489 nan 8.230 nan 0.000 0.418 640 D N 1.747 122.273 120.400 0.211 0.000 2.414 640 D HA 0.794 5.328 4.640 -0.177 0.000 0.259 640 D C 0.735 177.123 176.300 0.148 0.000 1.269 640 D CA 0.676 54.773 54.000 0.162 0.000 1.028 640 D CB 0.459 41.359 40.800 0.167 0.000 1.093 640 D HN 0.915 nan 8.370 nan 0.000 0.545 645 L N 2.141 123.304 121.223 -0.101 0.000 2.062 645 L HA 0.429 4.663 4.340 -0.177 0.000 0.202 645 L C 0.953 177.782 176.870 -0.069 0.000 1.079 645 L CA 1.987 56.767 54.840 -0.102 0.000 0.755 645 L CB -1.048 40.945 42.059 -0.110 0.000 0.913 645 L HN 0.815 nan 8.230 nan 0.000 0.445 646 D N -0.358 120.003 120.400 -0.065 0.000 2.265 646 D HA -0.169 4.365 4.640 -0.177 0.000 0.208 646 D C 1.911 178.182 176.300 -0.048 0.000 0.977 646 D CA 1.233 55.200 54.000 -0.055 0.000 0.871 646 D CB 0.158 40.925 40.800 -0.054 0.000 0.925 646 D HN 0.556 nan 8.370 nan 0.000 0.485 647 E N 0.110 120.283 120.200 -0.044 0.000 2.086 647 E HA -0.126 4.118 4.350 -0.177 0.000 0.190 647 E C 1.746 178.327 176.600 -0.031 0.000 0.975 647 E CA 0.535 56.913 56.400 -0.036 0.000 0.813 647 E CB 0.095 29.779 29.700 -0.027 0.000 0.768 647 E HN 0.114 nan 8.360 nan 0.000 0.457 648 E N 1.163 121.358 120.200 -0.009 0.000 2.023 648 E HA -0.133 4.111 4.350 -0.177 0.000 0.196 648 E C 1.033 177.636 176.600 0.005 0.000 1.003 648 E CA 0.990 57.421 56.400 0.051 0.000 0.809 648 E CB -0.500 29.252 29.700 0.086 0.000 0.755 648 E HN 0.222 nan 8.360 nan 0.000 0.449 649 I N -0.576 119.983 120.570 -0.018 0.000 2.813 649 I HA 0.408 4.472 4.170 -0.177 0.000 0.287 649 I C 1.296 177.367 176.117 -0.076 0.000 1.196 649 I CA 0.886 62.153 61.300 -0.055 0.000 1.421 649 I CB -1.367 36.600 38.000 -0.054 0.000 1.365 649 I HN 0.510 nan 8.210 nan 0.000 0.591 650 K N 2.412 122.752 120.400 -0.101 0.000 3.512 650 K HA -0.219 3.995 4.320 -0.177 0.000 0.309 650 K C 0.649 177.179 176.600 -0.117 0.000 1.350 650 K CA 1.839 58.069 56.287 -0.094 0.000 0.960 650 K CB -2.494 29.965 32.500 -0.068 0.000 1.290 650 K HN 1.700 nan 8.250 nan 0.000 0.454 651 D N -1.818 118.479 120.400 -0.172 0.000 2.539 651 D HA 0.372 4.906 4.640 -0.177 0.000 0.232 651 D C 1.077 177.103 176.300 -0.457 0.000 1.256 651 D CA 1.668 55.505 54.000 -0.272 0.000 0.810 651 D CB 0.338 40.981 40.800 -0.262 0.000 1.090 651 D HN 1.426 nan 8.370 nan 0.000 0.519 652 G N 1.385 110.016 108.800 -0.281 0.000 2.198 652 G HA2 -0.287 3.567 3.960 -0.177 0.000 0.260 652 G HA3 -0.287 3.567 3.960 -0.177 0.000 0.260 652 G C 0.431 175.326 174.900 -0.008 0.000 1.025 652 G CA 0.403 45.381 45.100 -0.203 0.000 0.769 652 G HN 0.466 nan 8.290 nan 0.000 0.507 653 H N -0.954 118.129 119.070 0.021 0.000 2.581 653 H HA 0.455 4.905 4.556 -0.177 0.000 0.275 653 H C 0.841 176.298 175.328 0.216 0.000 1.126 653 H CA -0.423 55.723 56.048 0.162 0.000 1.097 653 H CB 0.453 30.324 29.762 0.183 0.000 1.626 653 H HN 0.481 nan 8.280 nan 0.000 0.565 654 I N 1.111 121.700 120.570 0.031 0.000 2.534 654 I HA 0.222 4.286 4.170 -0.177 0.000 0.288 654 I C -1.194 174.716 176.117 -0.344 0.000 1.077 654 I CA -0.758 60.569 61.300 0.045 0.000 1.051 654 I CB 1.869 39.907 38.000 0.063 0.000 1.234 654 I HN -0.090 nan 8.210 nan 0.000 0.425 655 Y N 6.049 126.434 120.300 0.143 0.000 2.570 655 Y HA 0.679 5.123 4.550 -0.177 0.000 0.345 655 Y C -0.274 175.745 175.900 0.198 0.000 1.014 655 Y CA -0.890 57.270 58.100 0.101 0.000 1.063 655 Y CB 2.289 40.749 38.460 0.001 0.000 1.272 655 Y HN 0.345 nan 8.280 nan 0.000 0.477 656 I N 1.002 121.724 120.570 0.254 0.000 2.969 656 I HA 0.747 4.811 4.170 -0.177 0.000 0.307 656 I C -1.813 174.376 176.117 0.120 0.000 1.149 656 I CA -1.050 60.395 61.300 0.241 0.000 1.008 656 I CB 2.018 40.132 38.000 0.188 0.000 1.232 656 I HN 0.393 nan 8.210 nan 0.000 0.435 657 V N 4.178 124.145 119.914 0.088 0.000 2.540 657 V HA 0.440 4.454 4.120 -0.177 0.000 0.302 657 V C -1.260 174.730 176.094 -0.173 0.000 1.035 657 V CA -0.378 61.860 62.300 -0.104 0.000 0.873 657 V CB 1.716 33.506 31.823 -0.055 0.000 0.992 657 V HN 0.709 nan 8.190 nan 0.000 0.428 658 D N 2.828 123.037 120.400 -0.318 0.000 2.363 658 D HA 0.373 4.907 4.640 -0.177 0.000 0.258 658 D C -0.273 175.864 176.300 -0.272 0.000 1.259 658 D CA -0.390 53.474 54.000 -0.227 0.000 0.921 658 D CB 0.502 41.225 40.800 -0.127 0.000 1.201 658 D HN 0.341 nan 8.370 nan 0.000 0.524 659 F N 2.526 122.433 119.950 -0.071 0.000 2.730 659 F HA 0.079 4.501 4.527 -0.176 0.000 0.333 659 F C 2.104 177.944 175.800 0.067 0.000 1.215 659 F CA 0.013 57.997 58.000 -0.028 0.000 1.388 659 F CB -0.073 38.923 39.000 -0.007 0.000 1.418 659 F HN 0.372 nan 8.300 nan 0.000 0.576 660 K N -1.164 119.322 120.400 0.143 0.000 2.209 660 K HA -0.139 4.075 4.320 -0.177 0.000 0.204 660 K C 1.994 178.721 176.600 0.213 0.000 1.048 660 K CA 1.370 57.742 56.287 0.143 0.000 0.940 660 K CB -0.686 31.863 32.500 0.082 0.000 0.729 660 K HN 0.360 nan 8.250 nan 0.000 0.451 661 V N 1.630 121.723 119.914 0.298 0.000 2.688 661 V HA -0.061 3.953 4.120 -0.177 0.000 0.256 661 V C 0.632 177.027 176.094 0.501 0.000 1.084 661 V CA 0.928 63.462 62.300 0.389 0.000 1.103 661 V CB -0.334 31.787 31.823 0.497 0.000 0.688 661 V HN 0.232 nan 8.190 nan 0.000 0.480 662 L N 0.190 121.662 121.223 0.414 0.000 2.417 662 L HA 0.334 4.568 4.340 -0.177 0.000 0.268 662 L C 0.736 177.699 176.870 0.154 0.000 1.158 662 L CA 0.655 55.624 54.840 0.216 0.000 0.819 662 L CB 1.173 43.297 42.059 0.108 0.000 1.112 662 L HN 0.107 nan 8.230 nan 0.000 0.458 663 V N 1.370 121.340 119.914 0.093 0.000 5.892 663 V HA 0.019 4.033 4.120 -0.177 0.000 0.943 663 V C 0.674 176.804 176.094 0.061 0.000 2.652 663 V CA 0.310 62.659 62.300 0.082 0.000 4.634 663 V CB 0.208 32.097 31.823 0.110 0.000 0.644 663 V HN 0.914 nan 8.190 nan 0.000 0.634 664 G N 0.404 109.219 108.800 0.026 0.000 2.611 664 G HA2 0.554 4.408 3.960 -0.177 0.000 0.273 664 G HA3 0.554 4.408 3.960 -0.177 0.000 0.273 664 G C 0.160 175.058 174.900 -0.003 0.000 1.305 664 G CA 0.357 45.472 45.100 0.024 0.000 1.010 664 G HN 0.865 nan 8.290 nan 0.000 0.509 665 A N 0.102 122.927 122.820 0.009 0.000 2.252 665 A HA 0.635 4.849 4.320 -0.177 0.000 0.309 665 A C 0.417 177.990 177.584 -0.018 0.000 1.285 665 A CA -0.553 51.479 52.037 -0.008 0.000 0.900 665 A CB 0.705 19.709 19.000 0.007 0.000 1.157 665 A HN 0.553 nan 8.150 nan 0.000 0.536 666 K N 1.262 121.626 120.400 -0.059 0.000 2.952 666 K HA 0.661 4.875 4.320 -0.177 0.000 0.323 666 K C 0.927 177.488 176.600 -0.065 0.000 1.003 666 K CA 0.505 56.751 56.287 -0.069 0.000 1.156 666 K CB -0.235 32.193 32.500 -0.120 0.000 1.339 666 K HN 1.208 nan 8.250 nan 0.000 0.516 667 S N -2.809 112.845 115.700 -0.078 0.000 3.795 667 S HA -0.016 4.348 4.470 -0.177 0.000 0.682 667 S C -0.840 173.751 174.600 -0.015 0.000 1.792 667 S CA 0.483 58.653 58.200 -0.051 0.000 1.892 667 S CB -1.628 61.532 63.200 -0.068 0.000 0.343 667 S HN 1.260 nan 8.310 nan 0.000 1.341 690 D N 3.424 123.827 120.400 0.005 0.000 2.367 690 D HA 0.313 4.847 4.640 -0.177 0.000 0.255 690 D C -0.393 175.921 176.300 0.023 0.000 1.300 690 D CA 0.598 54.611 54.000 0.023 0.000 0.959 690 D CB 0.134 40.953 40.800 0.032 0.000 1.064 690 D HN 0.477 nan 8.370 nan 0.000 0.509 691 I N 3.994 124.590 120.570 0.042 0.000 2.418 691 I HA 0.358 4.422 4.170 -0.177 0.000 0.287 691 I C 0.549 176.730 176.117 0.107 0.000 1.008 691 I CA -0.828 60.505 61.300 0.055 0.000 1.104 691 I CB 1.689 39.759 38.000 0.118 0.000 1.264 691 I HN 0.026 nan 8.210 nan 0.000 0.438 692 R N 4.440 124.954 120.500 0.024 0.000 2.782 692 R HA 0.747 4.981 4.340 -0.177 0.000 0.258 692 R C -1.535 174.775 176.300 0.016 0.000 1.055 692 R CA -0.825 55.330 56.100 0.091 0.000 1.065 692 R CB 1.717 32.025 30.300 0.013 0.000 1.172 692 R HN 0.362 nan 8.270 nan 0.000 0.510 693 Y N -1.057 119.267 120.300 0.040 0.000 2.588 693 Y HA 0.578 5.022 4.550 -0.177 0.000 0.343 693 Y C -0.505 175.499 175.900 0.173 0.000 1.065 693 Y CA -0.858 57.334 58.100 0.153 0.000 1.038 693 Y CB 2.295 40.962 38.460 0.344 0.000 1.297 693 Y HN 0.551 nan 8.280 nan 0.000 0.467 694 C N 1.285 120.820 119.300 0.393 0.000 3.241 694 C HA 0.918 5.272 4.460 -0.177 0.000 0.348 694 C C -1.012 174.134 174.990 0.261 0.000 1.180 694 C CA -0.194 59.002 59.018 0.298 0.000 1.273 694 C CB 0.265 28.048 27.740 0.072 0.000 1.620 694 C HN 1.084 nan 8.230 nan 0.000 0.510 695 A N 2.107 125.070 122.820 0.239 0.000 2.389 695 A HA 0.974 5.188 4.320 -0.177 0.000 0.293 695 A C -0.377 177.256 177.584 0.082 0.000 1.186 695 A CA 0.087 52.193 52.037 0.115 0.000 0.828 695 A CB 1.289 20.335 19.000 0.076 0.000 1.369 695 A HN 2.178 nan 8.150 nan 0.000 0.446 696 A N 1.218 124.087 122.820 0.082 0.000 3.258 696 A HA 0.639 4.853 4.320 -0.177 0.000 0.318 696 A C -2.658 174.998 177.584 0.120 0.000 0.990 696 A CA -1.229 50.889 52.037 0.135 0.000 0.885 696 A CB 0.120 19.194 19.000 0.124 0.000 1.090 696 A HN 0.524 nan 8.150 nan 0.000 0.479 697 P HA 0.693 nan 4.420 nan 0.000 0.302 697 P C -0.667 176.677 177.300 0.073 0.000 1.307 697 P CA -0.481 62.672 63.100 0.088 0.000 0.754 697 P CB 1.196 32.968 31.700 0.121 0.000 1.298 698 L N -4.044 117.106 121.223 -0.121 0.000 2.565 698 L HA 0.890 5.124 4.340 -0.177 0.000 0.261 698 L C -1.435 175.174 176.870 -0.435 0.000 0.932 698 L CA -1.119 53.535 54.840 -0.310 0.000 0.878 698 L CB 1.626 43.341 42.059 -0.574 0.000 1.333 698 L HN 0.366 nan 8.230 nan 0.000 0.409 699 A N 3.311 126.061 122.820 -0.117 0.000 2.380 699 A HA 0.886 5.100 4.320 -0.177 0.000 0.315 699 A C -1.413 176.225 177.584 0.091 0.000 1.101 699 A CA -0.679 51.368 52.037 0.018 0.000 0.771 699 A CB 2.181 21.125 19.000 -0.094 0.000 1.287 699 A HN 0.677 nan 8.150 nan 0.000 0.436 700 L N 1.772 123.020 121.223 0.042 0.000 2.313 700 L HA 0.687 4.921 4.340 -0.177 0.000 0.283 700 L C -1.681 175.017 176.870 -0.287 0.000 1.013 700 L CA -0.209 54.651 54.840 0.033 0.000 0.816 700 L CB 0.749 42.845 42.059 0.061 0.000 1.236 700 L HN 0.698 nan 8.230 nan 0.000 0.419 701 F N 4.588 124.627 119.950 0.148 0.000 2.523 701 F HA 0.475 4.896 4.527 -0.176 0.000 0.329 701 F C -0.531 175.429 175.800 0.266 0.000 1.061 701 F CA -0.651 57.446 58.000 0.161 0.000 0.967 701 F CB 1.690 40.718 39.000 0.047 0.000 1.218 701 F HN 0.376 nan 8.300 nan 0.000 0.480 702 Y N 1.101 121.575 120.300 0.291 0.000 2.386 702 Y HA 0.623 5.067 4.550 -0.176 0.000 0.334 702 Y C -1.502 174.494 175.900 0.160 0.000 1.002 702 Y CA -1.547 56.680 58.100 0.212 0.000 1.068 702 Y CB 1.306 39.840 38.460 0.124 0.000 1.203 702 Y HN 0.353 nan 8.280 nan 0.000 0.443 703 V N 6.484 126.097 119.914 -0.501 0.000 2.397 703 V HA 0.078 4.092 4.120 -0.177 0.000 0.262 703 V C 0.704 176.184 176.094 -1.023 0.000 1.047 703 V CA -0.258 61.687 62.300 -0.592 0.000 1.003 703 V CB -0.585 31.019 31.823 -0.365 0.000 1.037 703 V HN 0.914 nan 8.190 nan 0.000 0.480 704 N N 3.312 121.603 118.700 -0.682 0.000 2.146 704 N HA -0.059 4.575 4.740 -0.177 0.000 0.215 704 N C 1.564 176.840 175.510 -0.389 0.000 1.313 704 N CA 0.618 53.395 53.050 -0.454 0.000 0.877 704 N CB 0.304 38.636 38.487 -0.258 0.000 1.076 704 N HN 0.755 nan 8.380 nan 0.000 0.437 705 K N 0.893 121.177 120.400 -0.193 0.000 2.283 705 K HA -0.053 4.161 4.320 -0.177 0.000 0.202 705 K C 0.982 177.457 176.600 -0.209 0.000 1.048 705 K CA 1.306 57.507 56.287 -0.143 0.000 0.948 705 K CB -0.935 31.536 32.500 -0.049 0.000 0.742 705 K HN 0.552 nan 8.250 nan 0.000 0.458 706 L N -2.427 118.615 121.223 -0.302 0.000 2.599 706 L HA 0.603 4.837 4.340 -0.177 0.000 0.241 706 L C 1.063 177.548 176.870 -0.642 0.000 1.207 706 L CA -0.633 53.958 54.840 -0.416 0.000 0.987 706 L CB 0.051 41.849 42.059 -0.435 0.000 1.318 706 L HN 0.206 nan 8.230 nan 0.000 0.458 707 G N 0.351 108.904 108.800 -0.411 0.000 2.424 707 G HA2 -0.328 3.526 3.960 -0.177 0.000 0.323 707 G HA3 -0.328 3.526 3.960 -0.177 0.000 0.323 707 G C 0.255 174.999 174.900 -0.260 0.000 0.949 707 G CA 0.805 45.708 45.100 -0.329 0.000 0.769 707 G HN 0.823 nan 8.290 nan 0.000 0.512 708 H N -1.400 117.549 119.070 -0.202 0.000 2.668 708 H HA 0.410 4.859 4.556 -0.177 0.000 0.303 708 H C 0.230 175.445 175.328 -0.188 0.000 1.074 708 H CA -1.362 54.570 56.048 -0.193 0.000 1.406 708 H CB 1.495 31.155 29.762 -0.171 0.000 1.442 708 H HN 0.136 nan 8.280 nan 0.000 0.482 709 L N 4.525 125.710 121.223 -0.063 0.000 2.418 709 L HA 0.100 4.334 4.340 -0.177 0.000 0.274 709 L C -0.733 176.213 176.870 0.125 0.000 1.135 709 L CA 0.265 55.070 54.840 -0.059 0.000 0.870 709 L CB 0.027 41.960 42.059 -0.210 0.000 1.154 709 L HN 0.626 nan 8.230 nan 0.000 0.462 710 M N 7.747 127.486 119.600 0.231 0.000 2.436 710 M HA 0.480 4.854 4.480 -0.177 0.000 0.331 710 M C -2.468 174.108 176.300 0.460 0.000 1.135 710 M CA -2.124 53.376 55.300 0.333 0.000 0.987 710 M CB 1.730 34.477 32.600 0.245 0.000 1.687 710 M HN 0.370 nan 8.290 nan 0.000 0.445 711 P HA 0.284 nan 4.420 nan 0.000 0.287 711 P C 0.181 177.578 177.300 0.162 0.000 1.307 711 P CA -0.148 63.080 63.100 0.213 0.000 0.777 711 P CB 0.292 32.395 31.700 0.673 0.000 0.883 712 I N 0.832 121.402 120.570 -0.000 0.000 4.139 712 I HA 0.573 4.637 4.170 -0.177 0.000 0.320 712 I C 0.290 176.385 176.117 -0.037 0.000 1.290 712 I CA -0.301 60.975 61.300 -0.041 0.000 1.253 712 I CB 0.599 38.602 38.000 0.005 0.000 1.122 712 I HN 0.130 nan 8.210 nan 0.000 0.421 713 A N 1.900 124.761 122.820 0.068 0.000 2.465 713 A HA 0.784 4.998 4.320 -0.177 0.000 0.292 713 A C -1.137 176.677 177.584 0.384 0.000 1.041 713 A CA -0.299 51.849 52.037 0.185 0.000 0.718 713 A CB 1.175 20.168 19.000 -0.012 0.000 1.266 713 A HN 0.257 nan 8.150 nan 0.000 0.403 714 I N 2.162 123.028 120.570 0.494 0.000 2.439 714 I HA 0.312 4.376 4.170 -0.177 0.000 0.283 714 I C -0.181 176.207 176.117 0.451 0.000 1.023 714 I CA -0.219 61.325 61.300 0.406 0.000 1.100 714 I CB 1.971 40.144 38.000 0.288 0.000 1.238 714 I HN 0.813 nan 8.210 nan 0.000 0.445 715 Q N 6.082 126.053 119.800 0.284 0.000 2.368 715 Q HA 0.402 4.636 4.340 -0.177 0.000 0.256 715 Q C 0.621 176.692 176.000 0.118 0.000 0.980 715 Q CA -0.402 55.539 55.803 0.230 0.000 0.887 715 Q CB 1.436 30.250 28.738 0.127 0.000 1.221 715 Q HN 0.738 nan 8.270 nan 0.000 0.458 716 I N 2.506 123.195 120.570 0.197 0.000 2.335 716 I HA -0.185 3.879 4.170 -0.177 0.000 0.251 716 I C 0.602 176.729 176.117 0.017 0.000 1.129 716 I CA 0.910 62.254 61.300 0.074 0.000 1.402 716 I CB 0.020 37.994 38.000 -0.043 0.000 1.069 716 I HN 0.586 nan 8.210 nan 0.000 0.424 717 N N -0.482 118.232 118.700 0.022 0.000 2.242 717 N HA 0.138 4.772 4.740 -0.177 0.000 0.292 717 N C 0.314 175.831 175.510 0.012 0.000 1.125 717 N CA -0.478 52.577 53.050 0.008 0.000 0.783 717 N CB 1.950 40.430 38.487 -0.010 0.000 1.558 717 N HN -0.071 nan 8.380 nan 0.000 0.472 718 Q N 0.388 120.196 119.800 0.014 0.000 2.103 718 Q HA -0.211 4.023 4.340 -0.177 0.000 0.213 718 Q C 0.310 176.328 176.000 0.030 0.000 1.008 718 Q CA 1.948 57.760 55.803 0.015 0.000 0.879 718 Q CB -0.882 27.875 28.738 0.032 0.000 0.946 718 Q HN 0.813 nan 8.270 nan 0.000 0.413 719 E N 3.931 124.150 120.200 0.033 0.000 2.029 719 E HA 0.232 4.476 4.350 -0.177 0.000 0.276 719 E C -2.267 174.358 176.600 0.041 0.000 1.163 719 E CA -1.767 54.655 56.400 0.037 0.000 0.909 719 E CB -0.487 29.231 29.700 0.031 0.000 1.046 719 E HN 0.155 nan 8.360 nan 0.000 0.406 720 P HA 0.434 nan 4.420 nan 0.000 0.267 720 P C 0.409 177.729 177.300 0.034 0.000 1.200 720 P CA 0.635 63.769 63.100 0.057 0.000 0.772 720 P CB 1.267 33.013 31.700 0.077 0.000 0.855 721 G N 1.877 110.688 108.800 0.020 0.000 2.325 721 G HA2 0.246 4.100 3.960 -0.177 0.000 0.297 721 G HA3 0.246 4.100 3.960 -0.177 0.000 0.297 721 G C -2.627 172.266 174.900 -0.011 0.000 1.448 721 G CA -0.734 44.370 45.100 0.008 0.000 0.838 721 G HN 0.208 nan 8.290 nan 0.000 0.579 722 P HA -0.011 nan 4.420 nan 0.000 0.221 722 P C 1.379 178.665 177.300 -0.024 0.000 1.145 722 P CA 2.342 65.426 63.100 -0.027 0.000 0.795 722 P CB 0.167 31.858 31.700 -0.014 0.000 0.775 723 E N -0.033 120.166 120.200 -0.002 0.000 2.102 723 E HA -0.009 4.235 4.350 -0.177 0.000 0.190 723 E C 1.564 178.183 176.600 0.032 0.000 0.971 723 E CA 1.064 57.475 56.400 0.018 0.000 0.821 723 E CB -1.512 28.200 29.700 0.021 0.000 0.777 723 E HN 0.489 nan 8.360 nan 0.000 0.460 724 N N 2.607 121.320 118.700 0.022 0.000 3.105 724 N HA 0.405 5.039 4.740 -0.177 0.000 0.256 724 N C -2.394 173.114 175.510 -0.002 0.000 1.174 724 N CA -1.102 51.978 53.050 0.049 0.000 1.030 724 N CB 0.312 38.827 38.487 0.046 0.000 1.305 724 N HN 0.310 nan 8.380 nan 0.000 0.509 725 P HA 0.343 nan 4.420 nan 0.000 0.274 725 P C -0.621 176.450 177.300 -0.382 0.000 1.256 725 P CA -0.436 62.464 63.100 -0.333 0.000 0.795 725 P CB 1.251 32.572 31.700 -0.632 0.000 1.038 726 I N 1.131 121.471 120.570 -0.384 0.000 2.301 726 I HA 0.142 4.206 4.170 -0.177 0.000 0.292 726 I C -0.058 175.872 176.117 -0.311 0.000 1.046 726 I CA -0.397 60.749 61.300 -0.258 0.000 1.282 726 I CB -0.698 37.029 38.000 -0.456 0.000 1.409 726 I HN 0.338 nan 8.210 nan 0.000 0.484 727 W N 5.501 126.869 121.300 0.113 0.000 2.351 727 W HA 0.410 4.964 4.660 -0.177 0.000 0.311 727 W C 0.908 177.573 176.519 0.244 0.000 1.168 727 W CA -0.350 57.121 57.345 0.209 0.000 1.200 727 W CB 0.831 30.480 29.460 0.315 0.000 1.221 727 W HN 0.348 nan 8.180 nan 0.000 0.519 728 T N 3.551 118.249 114.554 0.241 0.000 2.950 728 T HA 0.384 4.628 4.350 -0.177 0.000 0.288 728 T C -1.783 172.398 174.700 -0.865 0.000 1.035 728 T CA -2.605 59.379 62.100 -0.194 0.000 1.028 728 T CB 1.458 70.283 68.868 -0.072 0.000 1.109 728 T HN 0.242 nan 8.240 nan 0.000 0.514 729 P HA 0.113 nan 4.420 nan 0.000 0.263 729 P C 0.162 176.646 177.300 -1.360 0.000 1.386 729 P CA 0.427 62.064 63.100 -2.438 0.000 0.797 729 P CB -0.109 30.510 31.700 -1.801 0.000 1.381 730 H N -1.321 117.461 119.070 -0.481 0.000 2.893 730 H HA 0.166 4.616 4.556 -0.177 0.000 0.270 730 H C 0.283 175.557 175.328 -0.089 0.000 1.095 730 H CA -0.270 55.644 56.048 -0.224 0.000 1.186 730 H CB 0.436 30.097 29.762 -0.167 0.000 1.562 730 H HN 0.153 nan 8.280 nan 0.000 0.536 731 E N 2.657 122.876 120.200 0.031 0.000 2.924 731 E HA -0.144 4.100 4.350 -0.177 0.000 0.236 731 E C 1.419 178.098 176.600 0.132 0.000 1.028 731 E CA 0.247 56.751 56.400 0.173 0.000 0.952 731 E CB 0.394 30.313 29.700 0.365 0.000 0.918 731 E HN 0.591 nan 8.360 nan 0.000 0.536 732 E N 3.185 123.449 120.200 0.107 0.000 2.301 732 E HA -0.305 3.939 4.350 -0.177 0.000 0.202 732 E C 0.388 177.036 176.600 0.081 0.000 1.017 732 E CA 1.514 57.961 56.400 0.078 0.000 0.831 732 E CB -0.009 29.730 29.700 0.064 0.000 0.742 732 E HN 0.468 nan 8.360 nan 0.000 0.491 733 N N 0.259 119.033 118.700 0.124 0.000 3.234 733 N HA 0.328 4.962 4.740 -0.177 0.000 0.272 733 N C 0.863 176.441 175.510 0.113 0.000 1.254 733 N CA 0.861 53.980 53.050 0.116 0.000 1.087 733 N CB -0.393 38.194 38.487 0.167 0.000 1.356 733 N HN 0.439 nan 8.380 nan 0.000 0.511 734 E N -0.131 120.091 120.200 0.037 0.000 2.446 734 E HA -0.416 3.828 4.350 -0.177 0.000 0.248 734 E C 1.394 178.062 176.600 0.113 0.000 1.081 734 E CA 2.624 59.040 56.400 0.027 0.000 1.143 734 E CB -1.891 27.735 29.700 -0.123 0.000 1.012 734 E HN 1.002 nan 8.360 nan 0.000 0.487 735 H N 0.331 119.488 119.070 0.145 0.000 2.394 735 H HA -0.099 4.351 4.556 -0.177 0.000 0.297 735 H C 2.226 177.602 175.328 0.081 0.000 1.113 735 H CA 0.972 57.098 56.048 0.131 0.000 1.277 735 H CB 0.089 29.932 29.762 0.134 0.000 1.370 735 H HN 0.573 nan 8.280 nan 0.000 0.506 736 D N -0.063 120.472 120.400 0.224 0.000 2.144 736 D HA -0.189 4.345 4.640 -0.177 0.000 0.200 736 D C 1.946 178.249 176.300 0.005 0.000 0.978 736 D CA 0.795 54.844 54.000 0.082 0.000 0.833 736 D CB -0.322 40.664 40.800 0.310 0.000 0.961 736 D HN 0.605 nan 8.370 nan 0.000 0.470 737 W N 1.131 122.424 121.300 -0.013 0.000 2.453 737 W HA -0.098 4.455 4.660 -0.177 0.000 0.289 737 W C 2.032 178.438 176.519 -0.189 0.000 1.215 737 W CA 0.212 57.520 57.345 -0.061 0.000 1.297 737 W CB -0.072 29.369 29.460 -0.032 0.000 1.113 737 W HN -0.111 nan 8.180 nan 0.000 0.551 738 M N 1.072 120.506 119.600 -0.277 0.000 2.132 738 M HA -0.212 4.162 4.480 -0.177 0.000 0.263 738 M C 2.278 178.217 176.300 -0.603 0.000 1.065 738 M CA 1.972 56.937 55.300 -0.559 0.000 1.122 738 M CB -0.660 31.800 32.600 -0.234 0.000 1.365 738 M HN -0.037 nan 8.290 nan 0.000 0.411 739 M N 0.124 119.593 119.600 -0.218 0.000 2.159 739 M HA -0.012 4.362 4.480 -0.177 0.000 0.263 739 M C 1.985 178.228 176.300 -0.095 0.000 1.063 739 M CA 1.931 57.220 55.300 -0.019 0.000 1.110 739 M CB -0.752 31.858 32.600 0.018 0.000 1.374 739 M HN 0.367 nan 8.290 nan 0.000 0.411 740 A N 0.150 122.741 122.820 -0.383 0.000 1.845 740 A HA -0.226 3.988 4.320 -0.177 0.000 0.215 740 A C 2.141 179.557 177.584 -0.280 0.000 1.195 740 A CA 2.143 53.949 52.037 -0.383 0.000 0.616 740 A CB -0.724 17.985 19.000 -0.486 0.000 0.832 740 A HN 0.573 nan 8.150 nan 0.000 0.443 741 K N -1.076 118.926 120.400 -0.664 0.000 2.074 741 K HA -0.180 4.035 4.320 -0.177 0.000 0.209 741 K C 1.802 178.309 176.600 -0.154 0.000 1.048 741 K CA 1.815 57.731 56.287 -0.618 0.000 0.926 741 K CB -0.506 31.143 32.500 -1.418 0.000 0.713 741 K HN 0.581 nan 8.250 nan 0.000 0.444 742 F N -0.240 119.571 119.950 -0.232 0.000 2.065 742 F HA -0.272 4.149 4.527 -0.177 0.000 0.298 742 F C 2.348 178.022 175.800 -0.210 0.000 1.112 742 F CA 0.875 58.737 58.000 -0.231 0.000 1.212 742 F CB -0.399 38.396 39.000 -0.343 0.000 0.975 742 F HN 0.145 nan 8.300 nan 0.000 0.476 743 W N -0.002 121.343 121.300 0.075 0.000 2.318 743 W HA -0.254 4.299 4.660 -0.177 0.000 0.313 743 W C 2.309 178.828 176.519 0.000 0.000 1.221 743 W CA 0.760 58.109 57.345 0.006 0.000 1.266 743 W CB -0.838 28.596 29.460 -0.042 0.000 1.150 743 W HN 0.010 nan 8.180 nan 0.000 0.496 744 L N 0.929 122.309 121.223 0.262 0.000 2.129 744 L HA -0.070 4.164 4.340 -0.177 0.000 0.212 744 L C 2.183 179.134 176.870 0.134 0.000 1.087 744 L CA 2.487 57.460 54.840 0.222 0.000 0.757 744 L CB -1.340 40.950 42.059 0.385 0.000 0.896 744 L HN 0.003 nan 8.230 nan 0.000 0.434 745 G N -1.388 107.520 108.800 0.180 0.000 2.414 745 G HA2 -0.218 3.636 3.960 -0.177 0.000 0.215 745 G HA3 -0.218 3.636 3.960 -0.177 0.000 0.215 745 G C 1.638 176.544 174.900 0.009 0.000 1.188 745 G CA 0.816 45.992 45.100 0.127 0.000 0.783 745 G HN 0.302 nan 8.290 nan 0.000 0.537 746 V N 1.493 121.378 119.914 -0.048 0.000 2.380 746 V HA -0.134 3.880 4.120 -0.177 0.000 0.251 746 V C 3.159 179.212 176.094 -0.068 0.000 1.063 746 V CA 2.631 64.877 62.300 -0.090 0.000 1.055 746 V CB -0.688 31.037 31.823 -0.163 0.000 0.657 746 V HN 0.458 nan 8.190 nan 0.000 0.455 747 A N -0.638 122.113 122.820 -0.114 0.000 1.845 747 A HA -0.279 3.935 4.320 -0.177 0.000 0.215 747 A C 2.247 179.580 177.584 -0.418 0.000 1.195 747 A CA 2.029 53.893 52.037 -0.288 0.000 0.616 747 A CB -0.831 17.887 19.000 -0.471 0.000 0.832 747 A HN 0.703 nan 8.150 nan 0.000 0.443 748 E N 0.045 119.891 120.200 -0.590 0.000 2.049 748 E HA -0.208 4.036 4.350 -0.177 0.000 0.198 748 E C 2.189 178.925 176.600 0.227 0.000 1.007 748 E CA 1.701 57.989 56.400 -0.187 0.000 0.809 748 E CB -0.194 29.534 29.700 0.048 0.000 0.749 748 E HN 0.535 nan 8.360 nan 0.000 0.450 749 S N 1.048 116.852 115.700 0.173 0.000 2.378 749 S HA -0.247 4.117 4.470 -0.177 0.000 0.229 749 S C 1.685 176.456 174.600 0.285 0.000 1.052 749 S CA 1.964 60.324 58.200 0.266 0.000 1.084 749 S CB -0.616 62.641 63.200 0.094 0.000 0.950 749 S HN 0.369 nan 8.310 nan 0.000 0.440 750 N N 0.546 119.346 118.700 0.166 0.000 2.216 750 N HA 0.044 4.678 4.740 -0.177 0.000 0.183 750 N C 1.438 177.139 175.510 0.319 0.000 1.017 750 N CA 0.880 54.023 53.050 0.156 0.000 0.861 750 N CB -0.434 38.051 38.487 -0.003 0.000 0.986 750 N HN 0.429 nan 8.380 nan 0.000 0.428 751 F N 1.555 121.660 119.950 0.258 0.000 2.069 751 F HA -0.258 4.163 4.527 -0.177 0.000 0.298 751 F C 2.693 178.741 175.800 0.414 0.000 1.113 751 F CA 1.721 60.010 58.000 0.481 0.000 1.214 751 F CB -0.417 38.942 39.000 0.598 0.000 0.978 751 F HN 0.226 nan 8.300 nan 0.000 0.474 752 H N -0.011 119.375 119.070 0.526 0.000 2.293 752 H HA -0.190 4.260 4.556 -0.177 0.000 0.300 752 H C 2.187 177.641 175.328 0.210 0.000 1.082 752 H CA 2.060 58.309 56.048 0.335 0.000 1.308 752 H CB -0.670 29.261 29.762 0.282 0.000 1.375 752 H HN 0.376 nan 8.280 nan 0.000 0.495 753 Q N 0.873 120.762 119.800 0.149 0.000 2.002 753 Q HA -0.095 4.139 4.340 -0.177 0.000 0.204 753 Q C 2.861 178.862 176.000 0.002 0.000 0.988 753 Q CA 2.228 58.063 55.803 0.052 0.000 0.843 753 Q CB -0.530 28.337 28.738 0.216 0.000 0.908 753 Q HN 0.593 nan 8.270 nan 0.000 0.420 754 L N -0.062 121.206 121.223 0.074 0.000 2.027 754 L HA -0.097 4.137 4.340 -0.177 0.000 0.206 754 L C 2.297 179.123 176.870 -0.073 0.000 1.074 754 L CA 1.370 56.240 54.840 0.050 0.000 0.745 754 L CB -0.632 41.565 42.059 0.230 0.000 0.898 754 L HN 0.312 nan 8.230 nan 0.000 0.433 755 N N 0.063 118.678 118.700 -0.142 0.000 2.187 755 N HA -0.145 4.489 4.740 -0.177 0.000 0.190 755 N C 1.814 177.185 175.510 -0.232 0.000 1.052 755 N CA 2.066 54.927 53.050 -0.315 0.000 0.863 755 N CB -0.312 37.784 38.487 -0.652 0.000 1.041 755 N HN 0.235 nan 8.380 nan 0.000 0.447 756 T N -2.341 112.072 114.554 -0.234 0.000 3.098 756 T HA -0.064 4.181 4.350 -0.177 0.000 0.266 756 T C 1.491 176.190 174.700 -0.001 0.000 1.145 756 T CA 1.050 63.101 62.100 -0.082 0.000 1.092 756 T CB -0.398 68.496 68.868 0.042 0.000 0.908 756 T HN 0.435 nan 8.240 nan 0.000 0.526 757 H N -0.529 118.438 119.070 -0.172 0.000 2.570 757 H HA 0.253 4.702 4.556 -0.178 0.000 0.268 757 H C 1.680 177.064 175.328 0.092 0.000 1.175 757 H CA -0.263 55.739 56.048 -0.078 0.000 1.686 757 H CB 0.010 29.632 29.762 -0.233 0.000 1.456 757 H HN 0.115 nan 8.280 nan 0.000 0.592 758 L N 1.074 122.115 121.223 -0.303 0.000 1.997 758 L HA -0.211 4.023 4.340 -0.177 0.000 0.216 758 L C 2.672 179.489 176.870 -0.089 0.000 1.074 758 L CA 1.410 56.058 54.840 -0.320 0.000 0.763 758 L CB -0.901 40.984 42.059 -0.290 0.000 0.890 758 L HN 0.395 nan 8.230 nan 0.000 0.434 759 L N -0.658 120.513 121.223 -0.086 0.000 2.022 759 L HA -0.083 4.151 4.340 -0.177 0.000 0.204 759 L C 2.559 179.431 176.870 0.004 0.000 1.076 759 L CA 1.539 56.331 54.840 -0.082 0.000 0.749 759 L CB -0.553 41.421 42.059 -0.142 0.000 0.903 759 L HN 0.101 nan 8.230 nan 0.000 0.439 760 R N -1.028 119.490 120.500 0.029 0.000 2.341 760 R HA -0.073 4.161 4.340 -0.177 0.000 0.213 760 R C 1.574 178.053 176.300 0.298 0.000 1.082 760 R CA 1.352 57.533 56.100 0.135 0.000 1.017 760 R CB -0.394 29.912 30.300 0.010 0.000 0.860 760 R HN 0.719 nan 8.270 nan 0.000 0.473 761 T N -4.277 110.430 114.554 0.254 0.000 3.174 761 T HA 0.101 4.345 4.350 -0.177 0.000 0.252 761 T C 1.537 176.338 174.700 0.168 0.000 0.984 761 T CA -0.232 62.028 62.100 0.267 0.000 1.113 761 T CB -0.029 69.061 68.868 0.370 0.000 1.088 761 T HN 0.073 nan 8.240 nan 0.000 0.442 762 H N 1.472 120.623 119.070 0.136 0.000 2.501 762 H HA 0.309 4.760 4.556 -0.175 0.000 0.317 762 H C 2.373 177.744 175.328 0.072 0.000 1.057 762 H CA 1.225 57.322 56.048 0.081 0.000 1.371 762 H CB -0.513 29.235 29.762 -0.024 0.000 1.501 762 H HN 0.106 nan 8.280 nan 0.000 0.620 763 L N 0.661 121.984 121.223 0.166 0.000 2.058 763 L HA -0.309 3.925 4.340 -0.177 0.000 0.226 763 L C 2.878 179.772 176.870 0.040 0.000 1.089 763 L CA 2.379 57.242 54.840 0.038 0.000 0.799 763 L CB -1.162 40.847 42.059 -0.083 0.000 0.900 763 L HN 0.540 nan 8.230 nan 0.000 0.442 764 T N -3.898 110.672 114.554 0.026 0.000 2.701 764 T HA -0.202 4.042 4.350 -0.177 0.000 0.263 764 T C 1.814 176.778 174.700 0.440 0.000 1.040 764 T CA 1.672 63.811 62.100 0.065 0.000 1.147 764 T CB -1.124 67.684 68.868 -0.099 0.000 0.865 764 T HN 0.511 nan 8.240 nan 0.000 0.426 765 T N -0.116 114.613 114.554 0.292 0.000 3.051 765 T HA -0.024 4.220 4.350 -0.177 0.000 0.269 765 T C 1.758 176.692 174.700 0.390 0.000 1.127 765 T CA 1.299 63.518 62.100 0.198 0.000 1.107 765 T CB -0.563 68.115 68.868 -0.317 0.000 0.898 765 T HN 0.641 nan 8.240 nan 0.000 0.517 766 E N 1.085 121.506 120.200 0.368 0.000 2.051 766 E HA -0.150 4.094 4.350 -0.177 0.000 0.192 766 E C 2.288 179.103 176.600 0.360 0.000 0.991 766 E CA 1.363 57.966 56.400 0.339 0.000 0.799 766 E CB -0.303 29.525 29.700 0.213 0.000 0.748 766 E HN 0.616 nan 8.360 nan 0.000 0.449 767 S N 0.276 116.241 115.700 0.441 0.000 2.368 767 S HA -0.210 4.154 4.470 -0.177 0.000 0.226 767 S C 1.618 176.406 174.600 0.314 0.000 1.044 767 S CA 1.616 60.132 58.200 0.527 0.000 1.062 767 S CB -0.584 62.989 63.200 0.622 0.000 0.931 767 S HN 0.292 nan 8.310 nan 0.000 0.440 768 F N 1.759 121.790 119.950 0.135 0.000 2.126 768 F HA -0.154 4.264 4.527 -0.182 0.000 0.299 768 F C 2.599 178.519 175.800 0.199 0.000 1.096 768 F CA 0.981 58.966 58.000 -0.026 0.000 1.255 768 F CB -0.817 38.133 39.000 -0.084 0.000 0.997 768 F HN 0.198 nan 8.300 nan 0.000 0.479 769 A N -0.523 122.618 122.820 0.535 0.000 1.972 769 A HA -0.160 4.054 4.320 -0.177 0.000 0.219 769 A C 2.079 179.879 177.584 0.360 0.000 1.169 769 A CA 1.530 53.850 52.037 0.472 0.000 0.635 769 A CB -0.965 18.303 19.000 0.447 0.000 0.810 769 A HN 0.379 nan 8.150 nan 0.000 0.446 770 L N -0.602 120.733 121.223 0.186 0.000 2.109 770 L HA -0.024 4.210 4.340 -0.177 0.000 0.207 770 L C 2.567 179.409 176.870 -0.047 0.000 1.086 770 L CA 2.255 57.097 54.840 0.003 0.000 0.760 770 L CB -0.530 41.267 42.059 -0.437 0.000 0.910 770 L HN 0.318 nan 8.230 nan 0.000 0.437 771 S N -1.588 114.078 115.700 -0.056 0.000 2.399 771 S HA -0.194 4.170 4.470 -0.177 0.000 0.231 771 S C 1.869 176.671 174.600 0.335 0.000 1.022 771 S CA 1.807 60.008 58.200 0.002 0.000 0.983 771 S CB -0.419 62.597 63.200 -0.306 0.000 0.803 771 S HN 0.656 nan 8.310 nan 0.000 0.480 772 T N 0.162 115.018 114.554 0.503 0.000 2.708 772 T HA -0.094 4.150 4.350 -0.177 0.000 0.266 772 T C 1.164 175.970 174.700 0.177 0.000 1.037 772 T CA 1.558 63.957 62.100 0.498 0.000 1.146 772 T CB -0.430 68.633 68.868 0.326 0.000 0.865 772 T HN 0.642 nan 8.240 nan 0.000 0.435 773 W N 1.513 122.849 121.300 0.061 0.000 2.418 773 W HA 0.098 4.658 4.660 -0.167 0.000 0.292 773 W C 2.616 178.965 176.519 -0.283 0.000 1.213 773 W CA 0.232 57.445 57.345 -0.220 0.000 1.283 773 W CB -0.102 28.858 29.460 -0.832 0.000 1.119 773 W HN 0.092 nan 8.180 nan 0.000 0.542 774 R N -0.169 120.367 120.500 0.059 0.000 2.115 774 R HA -0.047 4.187 4.340 -0.177 0.000 0.226 774 R C 1.341 177.699 176.300 0.097 0.000 1.100 774 R CA 1.176 57.303 56.100 0.045 0.000 0.980 774 R CB -0.302 30.008 30.300 0.017 0.000 0.875 774 R HN 0.240 nan 8.270 nan 0.000 0.445 775 N N -0.494 118.305 118.700 0.165 0.000 2.317 775 N HA 0.120 4.754 4.740 -0.177 0.000 0.199 775 N C 0.064 175.652 175.510 0.130 0.000 1.145 775 N CA 0.178 53.340 53.050 0.187 0.000 0.882 775 N CB 1.035 39.702 38.487 0.301 0.000 1.113 775 N HN 0.036 nan 8.380 nan 0.000 0.486 776 L N 1.221 122.479 121.223 0.057 0.000 2.325 776 L HA 0.608 4.842 4.340 -0.177 0.000 0.279 776 L C 0.179 176.925 176.870 -0.205 0.000 1.054 776 L CA -0.800 54.009 54.840 -0.052 0.000 0.804 776 L CB 1.565 43.509 42.059 -0.191 0.000 1.200 776 L HN -0.082 nan 8.230 nan 0.000 0.436 777 A N 1.465 124.178 122.820 -0.179 0.000 2.303 777 A HA 0.404 4.618 4.320 -0.177 0.000 0.317 777 A C 1.119 178.359 177.584 -0.573 0.000 1.149 777 A CA -0.401 51.443 52.037 -0.323 0.000 0.822 777 A CB 1.064 20.005 19.000 -0.099 0.000 1.131 777 A HN 0.819 nan 8.150 nan 0.000 0.493 778 S N 1.084 116.334 115.700 -0.750 0.000 2.434 778 S HA -0.292 4.072 4.470 -0.177 0.000 0.243 778 S C 1.928 176.387 174.600 -0.236 0.000 1.045 778 S CA 2.055 59.844 58.200 -0.684 0.000 1.019 778 S CB -0.323 62.662 63.200 -0.358 0.000 0.811 778 S HN 1.057 nan 8.310 nan 0.000 0.485 779 A N 0.321 123.078 122.820 -0.105 0.000 1.975 779 A HA 0.083 4.297 4.320 -0.177 0.000 0.215 779 A C 0.868 178.407 177.584 -0.074 0.000 1.170 779 A CA 0.155 52.182 52.037 -0.016 0.000 0.656 779 A CB -0.551 18.493 19.000 0.073 0.000 0.821 779 A HN 0.623 nan 8.150 nan 0.000 0.449 780 H N 0.495 119.451 119.070 -0.190 0.000 3.107 780 H HA 0.094 4.537 4.556 -0.190 0.000 0.301 780 H C -1.632 173.517 175.328 -0.298 0.000 0.981 780 H CA -1.354 54.566 56.048 -0.214 0.000 1.443 780 H CB 0.947 30.610 29.762 -0.166 0.000 1.479 780 H HN 0.077 nan 8.280 nan 0.000 0.564 781 P HA -0.285 nan 4.420 nan 0.000 0.217 781 P C 1.346 178.481 177.300 -0.276 0.000 1.158 781 P CA 1.304 64.143 63.100 -0.435 0.000 0.887 781 P CB 0.189 31.391 31.700 -0.830 0.000 0.792 782 V N -1.459 118.359 119.914 -0.161 0.000 2.427 782 V HA -0.220 3.794 4.120 -0.177 0.000 0.248 782 V C 2.167 177.970 176.094 -0.484 0.000 1.051 782 V CA 1.586 63.662 62.300 -0.373 0.000 1.048 782 V CB -1.426 30.038 31.823 -0.598 0.000 0.666 782 V HN 0.022 nan 8.190 nan 0.000 0.456 783 F N 1.630 121.216 119.950 -0.607 0.000 2.126 783 F HA -0.193 4.226 4.527 -0.180 0.000 0.299 783 F C 2.338 177.793 175.800 -0.575 0.000 1.096 783 F CA 1.807 59.465 58.000 -0.570 0.000 1.255 783 F CB -0.228 38.477 39.000 -0.492 0.000 0.997 783 F HN 0.027 nan 8.300 nan 0.000 0.479 784 K N -0.193 119.825 120.400 -0.636 0.000 2.211 784 K HA -0.127 4.087 4.320 -0.177 0.000 0.203 784 K C 1.902 177.903 176.600 -0.997 0.000 1.050 784 K CA 1.349 57.017 56.287 -1.031 0.000 0.945 784 K CB -0.402 31.139 32.500 -1.597 0.000 0.732 784 K HN 0.340 nan 8.250 nan 0.000 0.451 785 L N 0.759 121.650 121.223 -0.553 0.000 2.162 785 L HA -0.009 4.225 4.340 -0.177 0.000 0.205 785 L C 1.744 178.556 176.870 -0.097 0.000 1.086 785 L CA 1.256 56.055 54.840 -0.068 0.000 0.778 785 L CB -0.014 42.101 42.059 0.093 0.000 0.928 785 L HN 0.041 nan 8.230 nan 0.000 0.446 786 L N -0.990 120.069 121.223 -0.273 0.000 2.127 786 L HA -0.079 4.155 4.340 -0.177 0.000 0.203 786 L C 2.537 179.253 176.870 -0.257 0.000 1.080 786 L CA 1.098 55.837 54.840 -0.168 0.000 0.768 786 L CB -0.656 41.272 42.059 -0.217 0.000 0.924 786 L HN 0.416 nan 8.230 nan 0.000 0.444 787 Q N 1.238 120.674 119.800 -0.608 0.000 2.146 787 Q HA -0.252 3.982 4.340 -0.177 0.000 0.217 787 Q C -0.802 175.014 176.000 -0.307 0.000 1.023 787 Q CA 2.816 58.242 55.803 -0.630 0.000 0.903 787 Q CB -1.029 27.208 28.738 -0.836 0.000 0.990 787 Q HN 0.310 nan 8.270 nan 0.000 0.413 788 P HA -0.109 nan 4.420 nan 0.000 0.242 788 P C 0.159 177.267 177.300 -0.320 0.000 1.197 788 P CA 1.249 64.210 63.100 -0.232 0.000 0.765 788 P CB 0.039 31.635 31.700 -0.174 0.000 0.936 789 H N -0.610 118.411 119.070 -0.081 0.000 2.800 789 H HA 0.212 4.666 4.556 -0.170 0.000 0.257 789 H C 1.966 176.954 175.328 -0.567 0.000 0.967 789 H CA 0.357 56.324 56.048 -0.136 0.000 1.192 789 H CB 0.429 30.221 29.762 0.050 0.000 1.441 789 H HN 0.195 nan 8.280 nan 0.000 0.461 790 I N -1.573 118.756 120.570 -0.401 0.000 3.428 790 I HA 0.024 4.088 4.170 -0.177 0.000 0.286 790 I C 0.681 176.665 176.117 -0.221 0.000 1.287 790 I CA -0.056 60.881 61.300 -0.606 0.000 1.396 790 I CB -0.397 37.497 38.000 -0.177 0.000 1.062 790 I HN -0.136 nan 8.210 nan 0.000 0.471 791 Y N 3.211 123.405 120.300 -0.177 0.000 2.497 791 Y HA 0.409 4.851 4.550 -0.179 0.000 0.334 791 Y C 1.384 177.281 175.900 -0.005 0.000 1.199 791 Y CA 0.809 58.902 58.100 -0.011 0.000 1.425 791 Y CB 0.794 39.269 38.460 0.025 0.000 1.291 791 Y HN 0.385 nan 8.280 nan 0.000 0.562 792 G N 2.701 111.027 108.800 -0.791 0.000 2.268 792 G HA2 -0.324 3.530 3.960 -0.177 0.000 0.240 792 G HA3 -0.324 3.530 3.960 -0.177 0.000 0.240 792 G C 0.803 175.555 174.900 -0.247 0.000 1.010 792 G CA 0.409 45.194 45.100 -0.526 0.000 0.618 792 G HN 0.730 nan 8.290 nan 0.000 0.516 793 V N 1.836 121.654 119.914 -0.161 0.000 2.229 793 V HA -0.068 3.946 4.120 -0.177 0.000 0.243 793 V C 2.900 178.965 176.094 -0.049 0.000 1.042 793 V CA 2.315 64.597 62.300 -0.030 0.000 1.000 793 V CB -1.011 30.866 31.823 0.091 0.000 0.637 793 V HN 0.426 nan 8.190 nan 0.000 0.446 794 L N 0.360 121.557 121.223 -0.042 0.000 2.010 794 L HA -0.315 3.919 4.340 -0.177 0.000 0.219 794 L C 2.766 179.527 176.870 -0.180 0.000 1.077 794 L CA 2.116 56.912 54.840 -0.073 0.000 0.773 794 L CB -0.998 41.034 42.059 -0.045 0.000 0.892 794 L HN 0.421 nan 8.230 nan 0.000 0.436 795 A N -0.177 122.475 122.820 -0.279 0.000 1.835 795 A HA -0.224 3.990 4.320 -0.177 0.000 0.215 795 A C 2.237 179.520 177.584 -0.502 0.000 1.199 795 A CA 1.758 53.546 52.037 -0.415 0.000 0.615 795 A CB -0.783 17.856 19.000 -0.602 0.000 0.838 795 A HN 0.314 nan 8.150 nan 0.000 0.444 796 I N 0.366 120.584 120.570 -0.586 0.000 2.335 796 I HA -0.195 3.869 4.170 -0.177 0.000 0.251 796 I C 1.388 177.362 176.117 -0.237 0.000 1.129 796 I CA 1.761 62.799 61.300 -0.437 0.000 1.402 796 I CB -1.136 36.767 38.000 -0.161 0.000 1.069 796 I HN 0.302 nan 8.210 nan 0.000 0.424 797 D N -0.260 120.052 120.400 -0.147 0.000 2.149 797 D HA -0.100 4.434 4.640 -0.177 0.000 0.201 797 D C 2.103 178.323 176.300 -0.133 0.000 0.972 797 D CA 1.282 55.218 54.000 -0.106 0.000 0.835 797 D CB -0.109 40.673 40.800 -0.029 0.000 0.966 797 D HN 0.260 nan 8.370 nan 0.000 0.476 798 T N 1.409 115.870 114.554 -0.155 0.000 2.569 798 T HA -0.145 4.099 4.350 -0.177 0.000 0.263 798 T C 2.231 176.846 174.700 -0.141 0.000 1.074 798 T CA 0.965 62.981 62.100 -0.141 0.000 1.176 798 T CB -0.532 68.241 68.868 -0.158 0.000 0.863 798 T HN 0.131 nan 8.240 nan 0.000 0.410 799 I N 1.530 121.984 120.570 -0.193 0.000 2.143 799 I HA -0.243 3.821 4.170 -0.177 0.000 0.245 799 I C 2.912 178.934 176.117 -0.158 0.000 1.068 799 I CA 1.640 62.809 61.300 -0.218 0.000 1.326 799 I CB -0.998 36.749 38.000 -0.422 0.000 1.028 799 I HN 0.387 nan 8.210 nan 0.000 0.412 800 G N 0.536 109.237 108.800 -0.166 0.000 2.440 800 G HA2 -0.242 3.612 3.960 -0.177 0.000 0.218 800 G HA3 -0.242 3.612 3.960 -0.177 0.000 0.218 800 G C 1.772 176.623 174.900 -0.082 0.000 1.154 800 G CA 0.562 45.590 45.100 -0.121 0.000 0.767 800 G HN 0.334 nan 8.290 nan 0.000 0.552 801 R N 0.648 121.099 120.500 -0.081 0.000 2.159 801 R HA 0.008 4.242 4.340 -0.177 0.000 0.237 801 R C 2.892 179.175 176.300 -0.029 0.000 1.131 801 R CA 1.670 57.739 56.100 -0.052 0.000 0.982 801 R CB -0.226 30.041 30.300 -0.055 0.000 0.868 801 R HN 0.488 nan 8.270 nan 0.000 0.453 802 K N 1.489 121.868 120.400 -0.036 0.000 2.079 802 K HA -0.050 4.164 4.320 -0.177 0.000 0.214 802 K C 1.780 178.380 176.600 -0.000 0.000 1.024 802 K CA 0.996 57.273 56.287 -0.016 0.000 0.948 802 K CB -0.862 31.626 32.500 -0.021 0.000 0.830 802 K HN 0.210 nan 8.250 nan 0.000 0.452 803 E N 0.885 121.088 120.200 0.006 0.000 2.114 803 E HA -0.179 4.065 4.350 -0.177 0.000 0.199 803 E C 2.123 178.746 176.600 0.039 0.000 1.008 803 E CA 1.330 57.756 56.400 0.044 0.000 0.810 803 E CB -0.291 29.473 29.700 0.108 0.000 0.739 803 E HN 0.315 nan 8.360 nan 0.000 0.456 804 L N 0.525 121.756 121.223 0.012 0.000 2.004 804 L HA -0.010 4.224 4.340 -0.177 0.000 0.205 804 L C 2.608 179.467 176.870 -0.018 0.000 1.089 804 L CA 1.250 56.087 54.840 -0.004 0.000 0.756 804 L CB -0.732 41.299 42.059 -0.047 0.000 0.900 804 L HN 0.193 nan 8.230 nan 0.000 0.440 805 I N -2.879 117.685 120.570 -0.009 0.000 3.883 805 I HA 0.273 4.337 4.170 -0.177 0.000 0.326 805 I C 1.161 177.351 176.117 0.122 0.000 1.283 805 I CA -0.213 61.114 61.300 0.046 0.000 1.161 805 I CB -0.554 37.496 38.000 0.084 0.000 1.012 805 I HN 0.056 nan 8.210 nan 0.000 0.421 806 G N 1.045 109.880 108.800 0.058 0.000 2.611 806 G HA2 0.183 4.037 3.960 -0.177 0.000 0.273 806 G HA3 0.183 4.037 3.960 -0.177 0.000 0.273 806 G C -0.268 174.676 174.900 0.073 0.000 1.305 806 G CA -0.248 44.891 45.100 0.065 0.000 1.010 806 G HN 0.262 nan 8.290 nan 0.000 0.509 807 S N -1.476 114.262 115.700 0.062 0.000 2.572 807 S HA 0.406 4.770 4.470 -0.177 0.000 0.279 807 S C 1.654 176.271 174.600 0.028 0.000 1.341 807 S CA 0.962 59.195 58.200 0.055 0.000 1.043 807 S CB 0.192 63.419 63.200 0.046 0.000 0.887 807 S HN 2.165 nan 8.310 nan 0.000 0.516 808 G N 2.782 111.594 108.800 0.019 0.000 2.200 808 G HA2 -0.216 3.638 3.960 -0.177 0.000 0.268 808 G HA3 -0.216 3.638 3.960 -0.177 0.000 0.268 808 G C 0.555 175.460 174.900 0.009 0.000 0.986 808 G CA 0.415 45.524 45.100 0.014 0.000 0.677 808 G HN 1.265 nan 8.290 nan 0.000 0.532 809 G N -0.088 108.712 108.800 -0.000 0.000 2.491 809 G HA2 0.511 4.365 3.960 -0.177 0.000 0.242 809 G HA3 0.511 4.365 3.960 -0.177 0.000 0.242 809 G C 1.238 176.132 174.900 -0.010 0.000 1.266 809 G CA -0.060 45.040 45.100 0.000 0.000 0.844 809 G HN 0.832 nan 8.290 nan 0.000 0.571 810 I N 1.769 122.347 120.570 0.012 0.000 2.381 810 I HA -0.189 3.876 4.170 -0.177 0.000 0.255 810 I C 2.137 178.248 176.117 -0.009 0.000 1.140 810 I CA 0.813 62.125 61.300 0.020 0.000 1.404 810 I CB -1.092 36.934 38.000 0.043 0.000 1.075 810 I HN 0.235 nan 8.210 nan 0.000 0.433 811 V N 1.240 121.131 119.914 -0.038 0.000 2.300 811 V HA -0.204 3.810 4.120 -0.177 0.000 0.241 811 V C 2.469 178.473 176.094 -0.150 0.000 1.034 811 V CA 1.952 64.206 62.300 -0.076 0.000 1.021 811 V CB -0.813 30.963 31.823 -0.078 0.000 0.662 811 V HN 0.557 nan 8.190 nan 0.000 0.458 812 D N 1.313 121.578 120.400 -0.225 0.000 2.191 812 D HA -0.288 4.246 4.640 -0.177 0.000 0.190 812 D C 1.513 177.709 176.300 -0.173 0.000 1.007 812 D CA 2.231 56.033 54.000 -0.330 0.000 0.865 812 D CB -0.017 40.656 40.800 -0.212 0.000 0.929 812 D HN 0.729 nan 8.370 nan 0.000 0.447 813 Q N -0.346 119.402 119.800 -0.088 0.000 2.526 813 Q HA 0.324 4.558 4.340 -0.177 0.000 0.353 813 Q C 0.619 176.594 176.000 -0.043 0.000 0.977 813 Q CA -0.267 55.511 55.803 -0.042 0.000 1.027 813 Q CB 1.028 29.767 28.738 0.003 0.000 1.272 813 Q HN 0.002 nan 8.270 nan 0.000 0.420 814 S N -0.364 115.291 115.700 -0.075 0.000 3.084 814 S HA 0.243 4.607 4.470 -0.177 0.000 0.262 814 S C 0.102 174.638 174.600 -0.108 0.000 1.081 814 S CA -0.250 57.899 58.200 -0.085 0.000 0.855 814 S CB 0.442 63.593 63.200 -0.080 0.000 0.857 814 S HN 0.316 nan 8.310 nan 0.000 0.449 815 L N 2.064 123.224 121.223 -0.104 0.000 2.431 815 L HA 0.580 4.814 4.340 -0.177 0.000 0.260 815 L C 1.338 178.164 176.870 -0.073 0.000 1.098 815 L CA 0.125 54.909 54.840 -0.093 0.000 0.800 815 L CB 0.446 42.465 42.059 -0.066 0.000 1.210 815 L HN 0.161 nan 8.230 nan 0.000 0.465 816 S N 0.423 116.087 115.700 -0.060 0.000 2.561 816 S HA 0.158 4.523 4.470 -0.177 0.000 0.225 816 S C 1.355 175.938 174.600 -0.028 0.000 0.977 816 S CA 0.310 58.487 58.200 -0.038 0.000 0.926 816 S CB -0.056 63.133 63.200 -0.019 0.000 0.769 816 S HN 0.412 nan 8.310 nan 0.000 0.533 817 L N 0.677 121.888 121.223 -0.021 0.000 2.818 817 L HA 0.280 4.514 4.340 -0.177 0.000 0.243 817 L C 1.992 178.918 176.870 0.094 0.000 1.185 817 L CA -0.108 54.751 54.840 0.030 0.000 0.988 817 L CB -0.281 41.795 42.059 0.028 0.000 1.292 817 L HN 0.295 nan 8.230 nan 0.000 0.519 818 G N 0.158 108.948 108.800 -0.017 0.000 2.559 818 G HA2 -0.131 3.723 3.960 -0.177 0.000 0.216 818 G HA3 -0.131 3.723 3.960 -0.177 0.000 0.216 818 G C 1.484 176.393 174.900 0.016 0.000 1.126 818 G CA 0.666 45.690 45.100 -0.126 0.000 0.778 818 G HN 0.476 nan 8.290 nan 0.000 0.543 819 G N -0.012 108.845 108.800 0.095 0.000 2.432 819 G HA2 0.273 4.127 3.960 -0.177 0.000 0.219 819 G HA3 0.273 4.127 3.960 -0.177 0.000 0.219 819 G C 1.191 176.205 174.900 0.190 0.000 1.135 819 G CA 1.120 46.282 45.100 0.103 0.000 0.767 819 G HN 1.259 nan 8.290 nan 0.000 0.550 820 G N -1.801 107.194 108.800 0.326 0.000 3.578 820 G HA2 0.035 3.889 3.960 -0.177 0.000 0.220 820 G HA3 0.035 3.889 3.960 -0.177 0.000 0.220 820 G C 1.290 176.167 174.900 -0.039 0.000 0.933 820 G CA 0.470 45.638 45.100 0.113 0.000 0.847 820 G HN 0.781 nan 8.290 nan 0.000 0.612 821 G N 1.233 110.104 108.800 0.118 0.000 2.479 821 G HA2 -0.147 3.707 3.960 -0.177 0.000 0.220 821 G HA3 -0.147 3.707 3.960 -0.177 0.000 0.220 821 G C 1.522 176.497 174.900 0.125 0.000 1.115 821 G CA 1.949 47.099 45.100 0.084 0.000 0.757 821 G HN 0.814 nan 8.290 nan 0.000 0.560 822 H N 0.646 119.769 119.070 0.088 0.000 2.387 822 H HA -0.084 4.365 4.556 -0.177 0.000 0.299 822 H C 2.545 177.950 175.328 0.128 0.000 1.090 822 H CA 1.696 57.827 56.048 0.139 0.000 1.332 822 H CB -1.172 28.637 29.762 0.080 0.000 1.386 822 H HN 0.373 nan 8.280 nan 0.000 0.516 823 V N 1.100 120.661 119.914 -0.588 0.000 2.307 823 V HA -0.196 3.818 4.120 -0.177 0.000 0.245 823 V C 2.569 178.586 176.094 -0.128 0.000 1.045 823 V CA 2.526 64.606 62.300 -0.368 0.000 1.024 823 V CB -1.299 30.282 31.823 -0.404 0.000 0.651 823 V HN 0.561 nan 8.190 nan 0.000 0.449 824 T N -0.982 113.531 114.554 -0.068 0.000 2.708 824 T HA -0.196 4.048 4.350 -0.177 0.000 0.266 824 T C 1.836 176.581 174.700 0.076 0.000 1.037 824 T CA 1.764 63.870 62.100 0.011 0.000 1.146 824 T CB -0.915 67.973 68.868 0.034 0.000 0.865 824 T HN 0.516 nan 8.240 nan 0.000 0.435 825 F N 2.121 122.062 119.950 -0.015 0.000 2.154 825 F HA -0.039 4.383 4.527 -0.176 0.000 0.301 825 F C 2.241 178.041 175.800 -0.000 0.000 1.087 825 F CA 0.892 58.902 58.000 0.016 0.000 1.274 825 F CB -0.577 38.450 39.000 0.044 0.000 1.009 825 F HN 0.018 nan 8.300 nan 0.000 0.485 826 M N -0.002 119.506 119.600 -0.152 0.000 2.159 826 M HA -0.197 4.177 4.480 -0.177 0.000 0.263 826 M C 2.010 178.182 176.300 -0.213 0.000 1.063 826 M CA 1.754 56.898 55.300 -0.261 0.000 1.110 826 M CB -0.807 31.711 32.600 -0.136 0.000 1.374 826 M HN 0.259 nan 8.290 nan 0.000 0.411 827 E N 0.154 120.284 120.200 -0.117 0.000 2.110 827 E HA -0.206 4.038 4.350 -0.177 0.000 0.193 827 E C 1.988 178.548 176.600 -0.066 0.000 0.988 827 E CA 0.959 57.331 56.400 -0.046 0.000 0.804 827 E CB -0.220 29.480 29.700 -0.001 0.000 0.745 827 E HN 0.484 nan 8.360 nan 0.000 0.458 828 K N 0.975 121.312 120.400 -0.104 0.000 2.002 828 K HA -0.153 4.061 4.320 -0.177 0.000 0.209 828 K C 2.298 178.799 176.600 -0.164 0.000 1.048 828 K CA 1.647 57.879 56.287 -0.092 0.000 0.930 828 K CB -0.171 32.314 32.500 -0.024 0.000 0.714 828 K HN 0.134 nan 8.250 nan 0.000 0.438 829 C N 0.436 119.547 119.300 -0.315 0.000 2.398 829 C HA -0.157 4.197 4.460 -0.177 0.000 0.276 829 C C 2.467 177.354 174.990 -0.172 0.000 1.222 829 C CA 0.632 59.471 59.018 -0.298 0.000 1.746 829 C CB -1.143 26.301 27.740 -0.495 0.000 2.039 829 C HN 0.569 nan 8.230 nan 0.000 0.470 830 F N 2.057 121.818 119.950 -0.315 0.000 2.186 830 F HA -0.076 4.344 4.527 -0.179 0.000 0.299 830 F C 2.221 177.844 175.800 -0.296 0.000 1.090 830 F CA 1.487 59.284 58.000 -0.338 0.000 1.307 830 F CB -0.573 38.195 39.000 -0.386 0.000 1.019 830 F HN 0.152 nan 8.300 nan 0.000 0.489 831 K N 0.068 120.205 120.400 -0.438 0.000 2.442 831 K HA -0.190 4.024 4.320 -0.177 0.000 0.200 831 K C 1.112 177.548 176.600 -0.274 0.000 1.045 831 K CA 1.638 57.606 56.287 -0.532 0.000 0.937 831 K CB -0.236 32.114 32.500 -0.249 0.000 0.757 831 K HN 0.484 nan 8.250 nan 0.000 0.474 832 E N 0.073 120.142 120.200 -0.217 0.000 2.562 832 E HA 0.043 4.287 4.350 -0.177 0.000 0.214 832 E C -0.352 176.202 176.600 -0.076 0.000 0.979 832 E CA -0.232 56.095 56.400 -0.121 0.000 1.002 832 E CB 1.151 30.809 29.700 -0.071 0.000 1.048 832 E HN -0.062 nan 8.360 nan 0.000 0.488 833 V N 1.488 121.323 119.914 -0.132 0.000 2.811 833 V HA 0.174 4.188 4.120 -0.177 0.000 0.302 833 V C -0.568 175.615 176.094 0.148 0.000 1.063 833 V CA 0.216 62.483 62.300 -0.055 0.000 1.088 833 V CB 1.097 32.815 31.823 -0.176 0.000 0.982 833 V HN 0.223 nan 8.190 nan 0.000 0.485 834 N N 3.492 122.342 118.700 0.249 0.000 2.264 834 N HA 0.327 4.961 4.740 -0.177 0.000 0.288 834 N C 0.152 176.022 175.510 0.601 0.000 1.094 834 N CA -0.789 52.500 53.050 0.398 0.000 0.817 834 N CB 1.491 40.115 38.487 0.229 0.000 1.604 834 N HN 0.587 nan 8.380 nan 0.000 0.473 835 L N 2.764 124.430 121.223 0.738 0.000 2.261 835 L HA -0.070 4.164 4.340 -0.177 0.000 0.216 835 L C 1.473 178.668 176.870 0.542 0.000 1.114 835 L CA 1.893 57.159 54.840 0.709 0.000 0.777 835 L CB -0.538 41.747 42.059 0.377 0.000 0.910 835 L HN 0.744 nan 8.230 nan 0.000 0.440 836 Q N -1.005 119.017 119.800 0.370 0.000 2.488 836 Q HA -0.129 4.105 4.340 -0.177 0.000 0.211 836 Q C 1.234 177.364 176.000 0.217 0.000 0.967 836 Q CA 0.983 56.940 55.803 0.257 0.000 0.926 836 Q CB -0.010 28.824 28.738 0.159 0.000 0.992 836 Q HN 0.585 nan 8.270 nan 0.000 0.506 837 D N -0.329 120.207 120.400 0.226 0.000 2.194 837 D HA -0.103 4.431 4.640 -0.177 0.000 0.204 837 D C 0.843 177.144 176.300 0.002 0.000 0.964 837 D CA 0.939 54.964 54.000 0.041 0.000 0.846 837 D CB 0.001 40.735 40.800 -0.111 0.000 0.962 837 D HN 0.360 nan 8.370 nan 0.000 0.490 838 Y N 0.044 120.484 120.300 0.234 0.000 2.578 838 Y HA 0.001 4.445 4.550 -0.177 0.000 0.297 838 Y C 0.736 176.784 175.900 0.245 0.000 1.176 838 Y CA 0.210 58.465 58.100 0.258 0.000 1.315 838 Y CB -0.715 37.900 38.460 0.257 0.000 1.031 838 Y HN 0.048 nan 8.280 nan 0.000 0.524 839 H N 0.533 119.681 119.070 0.130 0.000 2.787 839 H HA 0.157 4.607 4.556 -0.177 0.000 0.275 839 H C 1.211 176.233 175.328 -0.511 0.000 1.183 839 H CA -0.597 55.339 56.048 -0.186 0.000 1.290 839 H CB 0.472 30.206 29.762 -0.046 0.000 1.438 839 H HN 0.199 nan 8.280 nan 0.000 0.487 840 L N 7.115 127.861 121.223 -0.795 0.000 1.978 840 L HA -0.100 4.135 4.340 -0.177 0.000 0.218 840 L C -0.973 175.637 176.870 -0.434 0.000 1.075 840 L CA 1.885 56.365 54.840 -0.601 0.000 0.767 840 L CB -0.923 40.597 42.059 -0.897 0.000 0.890 840 L HN 0.594 nan 8.230 nan 0.000 0.434 841 P HA -0.181 nan 4.420 nan 0.000 0.215 841 P C 1.083 178.290 177.300 -0.155 0.000 1.163 841 P CA 2.202 65.126 63.100 -0.293 0.000 0.894 841 P CB -0.214 31.341 31.700 -0.242 0.000 0.791 842 N N -0.908 117.675 118.700 -0.195 0.000 2.039 842 N HA -0.163 4.471 4.740 -0.177 0.000 0.193 842 N C 1.828 177.271 175.510 -0.113 0.000 1.044 842 N CA 1.073 53.964 53.050 -0.265 0.000 0.847 842 N CB -0.602 37.601 38.487 -0.473 0.000 1.030 842 N HN -0.003 nan 8.380 nan 0.000 0.422 843 A N 1.864 124.642 122.820 -0.069 0.000 1.859 843 A HA -0.219 3.995 4.320 -0.177 0.000 0.218 843 A C 2.211 179.805 177.584 0.017 0.000 1.209 843 A CA 1.453 53.486 52.037 -0.007 0.000 0.639 843 A CB -1.242 17.770 19.000 0.019 0.000 0.835 843 A HN 0.243 nan 8.150 nan 0.000 0.450 844 L N -0.734 120.498 121.223 0.016 0.000 1.991 844 L HA -0.317 3.917 4.340 -0.177 0.000 0.221 844 L C 2.779 179.681 176.870 0.052 0.000 1.079 844 L CA 2.419 57.300 54.840 0.068 0.000 0.778 844 L CB -0.509 41.565 42.059 0.025 0.000 0.893 844 L HN 0.563 nan 8.230 nan 0.000 0.437 845 K N 0.612 121.014 120.400 0.003 0.000 2.032 845 K HA -0.234 3.980 4.320 -0.177 0.000 0.209 845 K C 2.195 178.799 176.600 0.007 0.000 1.048 845 K CA 2.052 58.340 56.287 0.002 0.000 0.927 845 K CB -0.110 32.373 32.500 -0.030 0.000 0.712 845 K HN 0.222 nan 8.250 nan 0.000 0.441 846 K N 1.555 121.952 120.400 -0.005 0.000 2.585 846 K HA -0.092 4.122 4.320 -0.177 0.000 0.194 846 K C 1.639 178.250 176.600 0.018 0.000 1.037 846 K CA 1.289 57.576 56.287 0.000 0.000 0.964 846 K CB -0.467 32.029 32.500 -0.008 0.000 0.787 846 K HN 0.377 nan 8.250 nan 0.000 0.488 847 R N -1.947 118.575 120.500 0.038 0.000 2.335 847 R HA 0.196 4.430 4.340 -0.177 0.000 0.210 847 R C 1.072 177.410 176.300 0.065 0.000 0.892 847 R CA 0.398 56.528 56.100 0.051 0.000 1.048 847 R CB 0.655 30.998 30.300 0.072 0.000 1.067 847 R HN 0.494 nan 8.270 nan 0.000 0.524 848 G N 1.316 110.155 108.800 0.066 0.000 2.160 848 G HA2 -0.225 3.629 3.960 -0.177 0.000 0.244 848 G HA3 -0.225 3.629 3.960 -0.177 0.000 0.244 848 G C 0.463 175.472 174.900 0.180 0.000 1.022 848 G CA 0.292 45.441 45.100 0.080 0.000 0.741 848 G HN 0.226 nan 8.290 nan 0.000 0.508 849 V N -0.165 119.840 119.914 0.152 0.000 3.528 849 V HA 0.115 4.129 4.120 -0.177 0.000 0.294 849 V C 2.037 178.227 176.094 0.159 0.000 1.404 849 V CA 0.944 63.326 62.300 0.136 0.000 1.065 849 V CB 0.784 32.661 31.823 0.091 0.000 0.904 849 V HN 0.450 nan 8.190 nan 0.000 0.435 850 D N 0.976 121.451 120.400 0.125 0.000 2.178 850 D HA -0.142 4.392 4.640 -0.177 0.000 0.201 850 D C 0.866 177.214 176.300 0.080 0.000 0.980 850 D CA 0.930 54.984 54.000 0.091 0.000 0.842 850 D CB 0.203 41.035 40.800 0.053 0.000 0.948 850 D HN 0.456 nan 8.370 nan 0.000 0.472 851 D N -0.337 120.115 120.400 0.087 0.000 2.295 851 D HA 0.070 4.604 4.640 -0.177 0.000 0.248 851 D C -1.843 174.497 176.300 0.066 0.000 1.154 851 D CA -1.824 52.220 54.000 0.072 0.000 0.857 851 D CB 2.183 43.027 40.800 0.074 0.000 1.117 851 D HN -0.041 nan 8.370 nan 0.000 0.468 852 P HA -0.140 nan 4.420 nan 0.000 0.215 852 P C 1.527 178.843 177.300 0.026 0.000 1.157 852 P CA 1.224 64.343 63.100 0.032 0.000 0.863 852 P CB 0.129 31.848 31.700 0.033 0.000 0.787 853 S N -0.658 115.067 115.700 0.042 0.000 2.382 853 S HA -0.134 4.230 4.470 -0.177 0.000 0.228 853 S C 1.788 176.440 174.600 0.086 0.000 1.027 853 S CA 1.083 59.313 58.200 0.051 0.000 0.991 853 S CB -0.816 62.417 63.200 0.056 0.000 0.823 853 S HN 0.065 nan 8.310 nan 0.000 0.469 854 K N 0.367 120.841 120.400 0.124 0.000 2.099 854 K HA 0.301 4.515 4.320 -0.177 0.000 0.203 854 K C 0.356 177.048 176.600 0.154 0.000 1.047 854 K CA 0.258 56.687 56.287 0.236 0.000 0.963 854 K CB -0.554 32.100 32.500 0.256 0.000 0.759 854 K HN 0.364 nan 8.250 nan 0.000 0.451 855 L N 4.051 125.297 121.223 0.039 0.000 2.335 855 L HA 0.304 4.538 4.340 -0.177 0.000 0.268 855 L C -2.642 174.132 176.870 -0.159 0.000 1.037 855 L CA -2.243 52.473 54.840 -0.206 0.000 0.895 855 L CB 1.189 43.006 42.059 -0.403 0.000 1.266 855 L HN -0.085 nan 8.230 nan 0.000 0.439 856 P HA 0.414 nan 4.420 nan 0.000 0.283 856 P C 0.288 177.462 177.300 -0.210 0.000 1.271 856 P CA -0.128 62.896 63.100 -0.127 0.000 0.841 856 P CB 1.622 33.264 31.700 -0.097 0.000 1.122 857 G N 0.182 108.845 108.800 -0.228 0.000 2.147 857 G HA2 -0.258 3.596 3.960 -0.177 0.000 0.244 857 G HA3 -0.258 3.596 3.960 -0.177 0.000 0.244 857 G C -0.402 173.939 174.900 -0.932 0.000 1.005 857 G CA -0.274 44.510 45.100 -0.526 0.000 0.713 857 G HN 0.503 nan 8.290 nan 0.000 0.515 858 F N 2.108 121.580 119.950 -0.796 0.000 2.359 858 F HA 0.614 5.036 4.527 -0.175 0.000 0.355 858 F C 1.204 176.673 175.800 -0.551 0.000 1.132 858 F CA -2.562 55.049 58.000 -0.648 0.000 1.246 858 F CB -0.231 38.553 39.000 -0.360 0.000 1.569 858 F HN 0.195 nan 8.300 nan 0.000 0.561 859 Y N 2.487 122.629 120.300 -0.263 0.000 2.314 859 Y HA -0.257 4.186 4.550 -0.178 0.000 0.293 859 Y C 2.150 177.699 175.900 -0.584 0.000 1.129 859 Y CA 1.189 59.065 58.100 -0.373 0.000 1.201 859 Y CB -0.628 37.648 38.460 -0.306 0.000 0.999 859 Y HN 0.564 nan 8.280 nan 0.000 0.541 860 Y N 1.983 121.735 120.300 -0.914 0.000 2.114 860 Y HA -0.325 4.120 4.550 -0.175 0.000 0.282 860 Y C 2.704 178.314 175.900 -0.483 0.000 1.165 860 Y CA 1.901 59.643 58.100 -0.597 0.000 1.148 860 Y CB -0.494 37.682 38.460 -0.473 0.000 0.972 860 Y HN 0.013 nan 8.280 nan 0.000 0.504 861 R N 0.360 120.194 120.500 -1.110 0.000 2.075 861 R HA -0.184 4.050 4.340 -0.177 0.000 0.230 861 R C 1.782 177.838 176.300 -0.406 0.000 1.140 861 R CA 2.245 57.836 56.100 -0.847 0.000 0.928 861 R CB -0.678 29.100 30.300 -0.870 0.000 0.834 861 R HN 0.345 nan 8.270 nan 0.000 0.429 862 D N 0.859 121.098 120.400 -0.269 0.000 2.137 862 D HA -0.190 4.344 4.640 -0.177 0.000 0.189 862 D C 1.681 177.968 176.300 -0.022 0.000 0.998 862 D CA 1.870 55.826 54.000 -0.074 0.000 0.839 862 D CB -0.799 40.023 40.800 0.036 0.000 0.962 862 D HN 0.348 nan 8.370 nan 0.000 0.446 863 D N -0.229 120.189 120.400 0.031 0.000 2.149 863 D HA -0.070 4.464 4.640 -0.177 0.000 0.198 863 D C 2.130 178.491 176.300 0.102 0.000 0.990 863 D CA 1.482 55.557 54.000 0.126 0.000 0.839 863 D CB -0.644 40.342 40.800 0.309 0.000 0.948 863 D HN 0.308 nan 8.370 nan 0.000 0.460 864 G N 0.372 109.147 108.800 -0.042 0.000 2.414 864 G HA2 -0.185 3.669 3.960 -0.177 0.000 0.215 864 G HA3 -0.185 3.669 3.960 -0.177 0.000 0.215 864 G C 1.667 176.613 174.900 0.077 0.000 1.188 864 G CA 0.324 45.436 45.100 0.019 0.000 0.783 864 G HN 0.249 nan 8.290 nan 0.000 0.537 865 L N 0.832 122.018 121.223 -0.062 0.000 2.046 865 L HA -0.084 4.150 4.340 -0.177 0.000 0.208 865 L C 3.444 180.381 176.870 0.112 0.000 1.077 865 L CA 0.975 55.804 54.840 -0.019 0.000 0.747 865 L CB -0.518 41.502 42.059 -0.065 0.000 0.896 865 L HN 0.309 nan 8.230 nan 0.000 0.432 866 A N 0.568 123.449 122.820 0.101 0.000 1.873 866 A HA -0.220 3.994 4.320 -0.177 0.000 0.218 866 A C 2.254 179.947 177.584 0.182 0.000 1.193 866 A CA 1.844 53.956 52.037 0.125 0.000 0.629 866 A CB -0.859 18.203 19.000 0.104 0.000 0.826 866 A HN 0.369 nan 8.150 nan 0.000 0.447 867 L N -1.868 119.498 121.223 0.239 0.000 2.017 867 L HA -0.202 4.032 4.340 -0.177 0.000 0.208 867 L C 2.674 179.758 176.870 0.358 0.000 1.073 867 L CA 1.526 56.553 54.840 0.311 0.000 0.745 867 L CB -0.667 41.623 42.059 0.384 0.000 0.894 867 L HN 0.803 nan 8.230 nan 0.000 0.432 868 W N 1.903 123.288 121.300 0.142 0.000 2.321 868 W HA -0.268 4.300 4.660 -0.153 0.000 0.306 868 W C 2.156 178.668 176.519 -0.012 0.000 1.217 868 W CA 2.161 59.468 57.345 -0.063 0.000 1.257 868 W CB -0.178 29.013 29.460 -0.449 0.000 1.145 868 W HN 0.322 nan 8.180 nan 0.000 0.509 869 E N 0.119 120.475 120.200 0.260 0.000 2.268 869 E HA -0.119 4.125 4.350 -0.177 0.000 0.195 869 E C 2.185 178.839 176.600 0.091 0.000 0.995 869 E CA 1.123 57.626 56.400 0.171 0.000 0.836 869 E CB -0.085 29.721 29.700 0.177 0.000 0.763 869 E HN 0.229 nan 8.360 nan 0.000 0.491 870 A N 0.579 123.482 122.820 0.139 0.000 1.887 870 A HA 0.017 4.231 4.320 -0.177 0.000 0.212 870 A C 2.022 179.694 177.584 0.146 0.000 1.198 870 A CA 0.317 52.482 52.037 0.214 0.000 0.628 870 A CB -0.331 18.862 19.000 0.321 0.000 0.847 870 A HN 0.217 nan 8.150 nan 0.000 0.449 871 I N 0.020 120.652 120.570 0.104 0.000 2.208 871 I HA -0.301 3.763 4.170 -0.177 0.000 0.245 871 I C 2.559 178.510 176.117 -0.276 0.000 1.097 871 I CA 1.995 63.232 61.300 -0.106 0.000 1.363 871 I CB -0.297 37.682 38.000 -0.035 0.000 1.051 871 I HN 0.577 nan 8.210 nan 0.000 0.413 872 E N 0.629 120.590 120.200 -0.398 0.000 2.051 872 E HA -0.213 4.031 4.350 -0.177 0.000 0.192 872 E C 2.080 178.552 176.600 -0.213 0.000 0.991 872 E CA 1.965 58.107 56.400 -0.430 0.000 0.799 872 E CB 0.021 29.424 29.700 -0.495 0.000 0.748 872 E HN 0.368 nan 8.360 nan 0.000 0.449 873 T N 0.774 115.263 114.554 -0.109 0.000 2.580 873 T HA -0.219 4.025 4.350 -0.177 0.000 0.265 873 T C 1.371 176.025 174.700 -0.077 0.000 1.063 873 T CA 1.661 63.734 62.100 -0.044 0.000 1.170 873 T CB -0.642 68.252 68.868 0.044 0.000 0.863 873 T HN 0.276 nan 8.240 nan 0.000 0.418 874 F N 1.828 121.618 119.950 -0.266 0.000 2.015 874 F HA -0.173 4.274 4.527 -0.133 0.000 0.297 874 F C 2.169 177.784 175.800 -0.309 0.000 1.141 874 F CA 1.304 59.078 58.000 -0.376 0.000 1.192 874 F CB -0.803 37.612 39.000 -0.975 0.000 0.957 874 F HN 0.104 nan 8.300 nan 0.000 0.491 875 I N 0.566 120.933 120.570 -0.339 0.000 2.181 875 I HA -0.399 3.665 4.170 -0.177 0.000 0.247 875 I C 2.683 178.590 176.117 -0.349 0.000 1.081 875 I CA 1.592 62.673 61.300 -0.365 0.000 1.340 875 I CB -1.651 36.203 38.000 -0.243 0.000 1.036 875 I HN 0.455 nan 8.210 nan 0.000 0.417 876 G N 0.793 109.434 108.800 -0.266 0.000 2.639 876 G HA2 -0.285 3.569 3.960 -0.177 0.000 0.216 876 G HA3 -0.285 3.569 3.960 -0.177 0.000 0.216 876 G C 1.365 176.142 174.900 -0.204 0.000 1.267 876 G CA 1.072 46.054 45.100 -0.198 0.000 0.801 876 G HN 0.494 nan 8.290 nan 0.000 0.592 877 E N 0.150 120.217 120.200 -0.220 0.000 2.169 877 E HA -0.225 4.019 4.350 -0.177 0.000 0.202 877 E C 2.497 178.958 176.600 -0.232 0.000 1.016 877 E CA 1.246 57.522 56.400 -0.208 0.000 0.817 877 E CB -0.277 29.298 29.700 -0.208 0.000 0.736 877 E HN 0.455 nan 8.360 nan 0.000 0.462 878 I N 1.135 121.493 120.570 -0.354 0.000 2.202 878 I HA -0.250 3.814 4.170 -0.177 0.000 0.242 878 I C 2.372 178.530 176.117 0.068 0.000 1.091 878 I CA 1.171 62.346 61.300 -0.210 0.000 1.368 878 I CB -0.360 37.413 38.000 -0.379 0.000 1.058 878 I HN 0.095 nan 8.210 nan 0.000 0.410 879 I N 0.474 121.024 120.570 -0.034 0.000 2.194 879 I HA -0.371 3.693 4.170 -0.177 0.000 0.246 879 I C 2.670 178.880 176.117 0.155 0.000 1.093 879 I CA 1.475 62.803 61.300 0.047 0.000 1.355 879 I CB -0.796 37.110 38.000 -0.156 0.000 1.046 879 I HN 0.235 nan 8.210 nan 0.000 0.413 880 A N 1.623 124.457 122.820 0.024 0.000 1.851 880 A HA -0.208 4.006 4.320 -0.177 0.000 0.216 880 A C 2.326 179.900 177.584 -0.018 0.000 1.195 880 A CA 1.741 53.781 52.037 0.006 0.000 0.622 880 A CB -0.937 18.030 19.000 -0.055 0.000 0.831 880 A HN 0.369 nan 8.150 nan 0.000 0.444 881 I N -1.771 118.735 120.570 -0.106 0.000 2.113 881 I HA -0.333 3.731 4.170 -0.177 0.000 0.242 881 I C 2.239 178.073 176.117 -0.471 0.000 1.057 881 I CA 2.047 63.138 61.300 -0.348 0.000 1.314 881 I CB -0.497 37.168 38.000 -0.559 0.000 1.022 881 I HN 0.384 nan 8.210 nan 0.000 0.408 882 F N -1.406 118.554 119.950 0.018 0.000 2.656 882 F HA 0.088 4.487 4.527 -0.213 0.000 0.291 882 F C 0.449 176.184 175.800 -0.108 0.000 1.122 882 F CA -0.097 57.885 58.000 -0.031 0.000 1.427 882 F CB -0.172 38.829 39.000 0.002 0.000 1.125 882 F HN -0.124 nan 8.300 nan 0.000 0.583 883 Y N 0.784 121.168 120.300 0.141 0.000 2.593 883 Y HA 0.431 4.917 4.550 -0.106 0.000 0.331 883 Y C 1.268 177.200 175.900 0.053 0.000 0.986 883 Y CA -1.074 57.094 58.100 0.113 0.000 1.262 883 Y CB 0.486 38.998 38.460 0.086 0.000 1.098 883 Y HN -0.011 nan 8.280 nan 0.000 0.506 884 K N 2.128 122.593 120.400 0.108 0.000 2.211 884 K HA -0.050 4.164 4.320 -0.177 0.000 0.203 884 K C 0.289 176.928 176.600 0.065 0.000 1.050 884 K CA 2.079 58.399 56.287 0.055 0.000 0.945 884 K CB -0.677 31.836 32.500 0.021 0.000 0.732 884 K HN 0.897 nan 8.250 nan 0.000 0.451 885 N N -2.866 115.896 118.700 0.103 0.000 3.127 885 N HA 0.141 4.775 4.740 -0.177 0.000 0.239 885 N C -0.808 174.776 175.510 0.122 0.000 1.407 885 N CA -0.209 52.892 53.050 0.085 0.000 0.891 885 N CB 0.408 38.920 38.487 0.041 0.000 1.447 885 N HN -0.119 nan 8.380 nan 0.000 0.507 886 D N -0.788 119.667 120.400 0.092 0.000 2.357 886 D HA -0.131 4.403 4.640 -0.177 0.000 0.216 886 D C 0.546 176.908 176.300 0.103 0.000 0.973 886 D CA 1.178 55.238 54.000 0.099 0.000 0.912 886 D CB 0.029 40.869 40.800 0.067 0.000 0.900 886 D HN 0.594 nan 8.370 nan 0.000 0.501 887 D N 0.041 120.483 120.400 0.069 0.000 2.149 887 D HA -0.103 4.431 4.640 -0.177 0.000 0.206 887 D C 1.345 177.662 176.300 0.027 0.000 0.967 887 D CA 0.688 54.703 54.000 0.025 0.000 0.848 887 D CB 0.010 40.792 40.800 -0.029 0.000 0.998 887 D HN -0.038 nan 8.370 nan 0.000 0.474 888 D N 0.061 120.490 120.400 0.048 0.000 2.158 888 D HA -0.138 4.396 4.640 -0.177 0.000 0.197 888 D C 2.209 178.709 176.300 0.332 0.000 0.995 888 D CA 0.579 54.632 54.000 0.089 0.000 0.846 888 D CB -0.061 40.846 40.800 0.178 0.000 0.941 888 D HN 0.148 nan 8.370 nan 0.000 0.456 889 V N 1.185 121.368 119.914 0.448 0.000 2.223 889 V HA -0.257 3.757 4.120 -0.177 0.000 0.244 889 V C 2.420 178.737 176.094 0.371 0.000 1.045 889 V CA 1.707 64.328 62.300 0.534 0.000 1.000 889 V CB -0.353 31.644 31.823 0.290 0.000 0.635 889 V HN 0.158 nan 8.190 nan 0.000 0.445 890 K N -0.006 120.533 120.400 0.231 0.000 2.074 890 K HA -0.248 3.966 4.320 -0.177 0.000 0.209 890 K C 2.523 179.210 176.600 0.144 0.000 1.048 890 K CA 2.098 58.484 56.287 0.165 0.000 0.926 890 K CB -0.407 32.149 32.500 0.093 0.000 0.713 890 K HN 0.521 nan 8.250 nan 0.000 0.444 891 R N 1.855 122.413 120.500 0.097 0.000 2.096 891 R HA -0.111 4.123 4.340 -0.177 0.000 0.235 891 R C 1.113 177.562 176.300 0.249 0.000 1.127 891 R CA 1.726 57.839 56.100 0.022 0.000 0.968 891 R CB -1.290 28.790 30.300 -0.367 0.000 0.861 891 R HN 0.232 nan 8.270 nan 0.000 0.440 892 D N 1.281 121.935 120.400 0.424 0.000 2.389 892 D HA -0.083 4.451 4.640 -0.177 0.000 0.278 892 D C 0.884 177.366 176.300 0.304 0.000 1.398 892 D CA 0.544 54.790 54.000 0.410 0.000 1.090 892 D CB -0.163 40.909 40.800 0.453 0.000 1.108 892 D HN 0.601 nan 8.370 nan 0.000 0.532 893 N N 3.233 122.073 118.700 0.233 0.000 2.149 893 N HA -0.233 4.401 4.740 -0.177 0.000 0.188 893 N C 1.298 176.928 175.510 0.199 0.000 1.019 893 N CA 1.428 54.583 53.050 0.175 0.000 0.857 893 N CB -0.011 38.552 38.487 0.126 0.000 0.997 893 N HN 0.433 nan 8.380 nan 0.000 0.426 894 E N -0.473 119.858 120.200 0.218 0.000 2.031 894 E HA -0.135 4.109 4.350 -0.177 0.000 0.193 894 E C 1.723 178.531 176.600 0.347 0.000 0.994 894 E CA 1.126 57.686 56.400 0.266 0.000 0.800 894 E CB -0.180 29.701 29.700 0.301 0.000 0.752 894 E HN 0.375 nan 8.360 nan 0.000 0.447 895 I N 1.245 122.086 120.570 0.452 0.000 2.567 895 I HA -0.247 3.817 4.170 -0.177 0.000 0.257 895 I C 1.893 178.312 176.117 0.503 0.000 1.184 895 I CA 1.220 62.807 61.300 0.478 0.000 1.451 895 I CB -0.028 38.292 38.000 0.534 0.000 1.089 895 I HN 0.060 nan 8.210 nan 0.000 0.441 896 Q N -0.190 119.833 119.800 0.371 0.000 2.083 896 Q HA -0.068 4.166 4.340 -0.177 0.000 0.198 896 Q C 2.426 178.554 176.000 0.212 0.000 0.969 896 Q CA 1.747 57.695 55.803 0.241 0.000 0.838 896 Q CB -0.586 28.254 28.738 0.170 0.000 0.900 896 Q HN 0.470 nan 8.270 nan 0.000 0.436 897 S N 0.340 116.186 115.700 0.244 0.000 2.368 897 S HA -0.137 4.227 4.470 -0.177 0.000 0.224 897 S C 1.338 176.127 174.600 0.314 0.000 1.029 897 S CA 0.827 59.182 58.200 0.258 0.000 0.988 897 S CB -0.369 62.966 63.200 0.225 0.000 0.838 897 S HN 0.467 nan 8.310 nan 0.000 0.462 898 W N 2.288 123.665 121.300 0.127 0.000 2.289 898 W HA -0.200 4.358 4.660 -0.171 0.000 0.328 898 W C 1.937 178.467 176.519 0.018 0.000 1.241 898 W CA 1.279 58.676 57.345 0.087 0.000 1.221 898 W CB -1.026 28.498 29.460 0.107 0.000 1.175 898 W HN 0.211 nan 8.180 nan 0.000 0.457 899 I N 0.045 120.676 120.570 0.102 0.000 2.502 899 I HA -0.303 3.761 4.170 -0.177 0.000 0.258 899 I C 2.160 178.117 176.117 -0.266 0.000 1.172 899 I CA 1.803 62.907 61.300 -0.326 0.000 1.430 899 I CB -0.932 36.742 38.000 -0.544 0.000 1.086 899 I HN 0.303 nan 8.210 nan 0.000 0.440 900 Y N 0.324 120.520 120.300 -0.173 0.000 2.314 900 Y HA -0.090 4.352 4.550 -0.180 0.000 0.294 900 Y C 2.146 178.020 175.900 -0.043 0.000 1.119 900 Y CA 1.570 59.622 58.100 -0.080 0.000 1.179 900 Y CB -0.361 38.088 38.460 -0.017 0.000 1.025 900 Y HN 0.218 nan 8.280 nan 0.000 0.541 901 D N -0.543 119.840 120.400 -0.028 0.000 2.149 901 D HA -0.176 4.358 4.640 -0.177 0.000 0.198 901 D C 2.070 178.271 176.300 -0.165 0.000 0.990 901 D CA 1.653 55.655 54.000 0.004 0.000 0.839 901 D CB -0.015 40.909 40.800 0.206 0.000 0.948 901 D HN 0.255 nan 8.370 nan 0.000 0.460 902 V N -0.578 119.110 119.914 -0.377 0.000 2.548 902 V HA -0.164 3.850 4.120 -0.177 0.000 0.249 902 V C 2.122 177.906 176.094 -0.516 0.000 1.055 902 V CA 1.696 63.631 62.300 -0.608 0.000 1.065 902 V CB -0.616 30.429 31.823 -1.296 0.000 0.681 902 V HN 0.333 nan 8.190 nan 0.000 0.462 903 H N 1.622 120.372 119.070 -0.533 0.000 2.326 903 H HA -0.075 4.376 4.556 -0.175 0.000 0.301 903 H C 2.087 177.182 175.328 -0.388 0.000 1.081 903 H CA 2.616 58.421 56.048 -0.405 0.000 1.334 903 H CB 0.021 29.565 29.762 -0.363 0.000 1.385 903 H HN 0.371 nan 8.280 nan 0.000 0.504 904 K N -0.308 119.691 120.400 -0.668 0.000 2.352 904 K HA 0.193 4.407 4.320 -0.177 0.000 0.194 904 K C 1.360 177.683 176.600 -0.461 0.000 1.038 904 K CA 1.004 56.925 56.287 -0.610 0.000 1.023 904 K CB -0.052 32.041 32.500 -0.679 0.000 0.840 904 K HN 0.675 nan 8.250 nan 0.000 0.519 905 N N -1.669 116.721 118.700 -0.516 0.000 2.129 905 N HA 0.130 4.764 4.740 -0.177 0.000 0.222 905 N C 1.741 176.652 175.510 -0.999 0.000 1.303 905 N CA 0.301 52.936 53.050 -0.692 0.000 0.897 905 N CB 0.788 38.767 38.487 -0.847 0.000 1.093 905 N HN 0.290 nan 8.380 nan 0.000 0.501 906 G N 0.018 108.386 108.800 -0.721 0.000 2.551 906 G HA2 -0.083 3.771 3.960 -0.177 0.000 0.214 906 G HA3 -0.083 3.771 3.960 -0.177 0.000 0.214 906 G C -0.453 174.535 174.900 0.146 0.000 1.250 906 G CA 0.244 45.060 45.100 -0.472 0.000 0.825 906 G HN 0.154 nan 8.290 nan 0.000 0.549 907 W N 2.495 123.712 121.300 -0.139 0.000 2.227 907 W HA 0.578 5.136 4.660 -0.169 0.000 0.308 907 W C -0.151 176.398 176.519 0.051 0.000 0.882 907 W CA -1.993 55.388 57.345 0.060 0.000 1.707 907 W CB -0.519 28.972 29.460 0.052 0.000 1.782 907 W HN 0.021 nan 8.180 nan 0.000 0.385 908 R N 0.975 121.604 120.500 0.215 0.000 2.502 908 R HA 0.095 4.329 4.340 -0.177 0.000 0.292 908 R C 0.878 177.292 176.300 0.190 0.000 0.998 908 R CA 0.035 56.166 56.100 0.052 0.000 1.056 908 R CB 0.628 30.880 30.300 -0.081 0.000 0.939 908 R HN 0.149 nan 8.270 nan 0.000 0.411 909 V N 0.735 120.685 119.914 0.060 0.000 3.111 909 V HA 0.029 4.043 4.120 -0.177 0.000 0.381 909 V C 0.431 176.415 176.094 -0.184 0.000 1.387 909 V CA -0.750 61.556 62.300 0.010 0.000 1.550 909 V CB -1.188 30.588 31.823 -0.078 0.000 1.305 909 V HN 0.552 nan 8.190 nan 0.000 0.494 910 N N 2.412 120.902 118.700 -0.350 0.000 2.207 910 N HA 0.042 4.676 4.740 -0.177 0.000 0.220 910 N C -1.270 173.992 175.510 -0.413 0.000 1.303 910 N CA -0.581 52.207 53.050 -0.437 0.000 0.875 910 N CB -0.079 38.093 38.487 -0.526 0.000 1.094 910 N HN 0.174 nan 8.380 nan 0.000 0.435 911 P HA -0.259 nan 4.420 nan 0.000 0.233 911 P C 1.271 178.520 177.300 -0.084 0.000 0.801 911 P CA 2.235 65.254 63.100 -0.136 0.000 1.108 911 P CB -0.388 31.256 31.700 -0.094 0.000 0.711 912 G N -0.958 107.836 108.800 -0.010 0.000 2.556 912 G HA2 -0.281 3.573 3.960 -0.177 0.000 0.220 912 G HA3 -0.281 3.573 3.960 -0.177 0.000 0.220 912 G C 0.328 175.296 174.900 0.113 0.000 1.156 912 G CA 1.142 46.285 45.100 0.073 0.000 0.766 912 G HN 0.544 nan 8.290 nan 0.000 0.583 913 H N 0.568 119.596 119.070 -0.070 0.000 3.119 913 H HA 0.096 4.546 4.556 -0.177 0.000 0.334 913 H C 0.407 175.585 175.328 -0.249 0.000 1.042 913 H CA -0.031 55.918 56.048 -0.165 0.000 1.354 913 H CB 0.349 30.014 29.762 -0.163 0.000 1.285 913 H HN 0.362 nan 8.280 nan 0.000 0.601 914 Q N 1.238 120.920 119.800 -0.198 0.000 2.193 914 Q HA 0.054 4.288 4.340 -0.177 0.000 0.246 914 Q C -0.014 175.758 176.000 -0.381 0.000 0.959 914 Q CA -0.882 54.802 55.803 -0.199 0.000 0.904 914 Q CB 1.195 29.853 28.738 -0.133 0.000 1.238 914 Q HN 0.609 nan 8.270 nan 0.000 0.469 915 D N 0.752 121.016 120.400 -0.226 0.000 2.533 915 D HA -0.120 4.414 4.640 -0.177 0.000 0.236 915 D C -0.054 176.135 176.300 -0.186 0.000 1.137 915 D CA 0.490 54.376 54.000 -0.191 0.000 0.867 915 D CB 0.627 41.404 40.800 -0.038 0.000 1.170 915 D HN 0.532 nan 8.370 nan 0.000 0.474 916 H N 2.908 122.041 119.070 0.104 0.000 2.592 916 H HA 0.142 4.592 4.556 -0.178 0.000 0.291 916 H C 1.572 177.095 175.328 0.324 0.000 1.052 916 H CA 0.550 56.721 56.048 0.206 0.000 1.175 916 H CB 0.022 29.964 29.762 0.300 0.000 1.378 916 H HN 0.735 nan 8.280 nan 0.000 0.576 917 G N 1.260 110.229 108.800 0.282 0.000 2.280 917 G HA2 -0.296 3.558 3.960 -0.177 0.000 0.282 917 G HA3 -0.296 3.558 3.960 -0.177 0.000 0.282 917 G C 0.459 175.507 174.900 0.246 0.000 1.000 917 G CA 0.829 46.080 45.100 0.251 0.000 0.751 917 G HN 0.425 nan 8.290 nan 0.000 0.515 918 V N 0.478 120.540 119.914 0.247 0.000 2.439 918 V HA 0.648 4.662 4.120 -0.177 0.000 0.282 918 V C -0.925 175.233 176.094 0.107 0.000 1.039 918 V CA -1.975 60.403 62.300 0.129 0.000 0.913 918 V CB 1.405 33.211 31.823 -0.028 0.000 0.983 918 V HN 0.106 nan 8.190 nan 0.000 0.460 919 P HA 0.231 nan 4.420 nan 0.000 0.286 919 P C -0.180 176.871 177.300 -0.415 0.000 1.278 919 P CA 0.696 63.704 63.100 -0.153 0.000 0.785 919 P CB 0.531 32.130 31.700 -0.168 0.000 1.269 920 A N -1.838 120.703 122.820 -0.466 0.000 2.701 920 A HA 0.487 4.701 4.320 -0.177 0.000 0.241 920 A C -0.143 177.346 177.584 -0.159 0.000 1.231 920 A CA 0.601 52.344 52.037 -0.490 0.000 1.003 920 A CB -0.155 18.451 19.000 -0.656 0.000 1.281 920 A HN 0.505 nan 8.150 nan 0.000 0.600 921 S N -1.639 113.913 115.700 -0.247 0.000 2.686 921 S HA 0.606 4.970 4.470 -0.177 0.000 0.273 921 S C -1.223 173.252 174.600 -0.209 0.000 1.060 921 S CA -0.703 57.383 58.200 -0.191 0.000 0.845 921 S CB 0.242 63.404 63.200 -0.062 0.000 1.086 921 S HN 0.312 nan 8.310 nan 0.000 0.461 922 F N 1.303 121.312 119.950 0.098 0.000 2.443 922 F HA 0.561 5.031 4.527 -0.096 0.000 0.335 922 F C 1.358 177.205 175.800 0.079 0.000 1.104 922 F CA -0.672 57.385 58.000 0.094 0.000 1.013 922 F CB 1.709 40.776 39.000 0.112 0.000 1.136 922 F HN 0.651 nan 8.300 nan 0.000 0.470 923 E N 0.747 121.118 120.200 0.285 0.000 2.330 923 E HA 0.049 4.293 4.350 -0.177 0.000 0.200 923 E C 0.560 177.244 176.600 0.140 0.000 0.922 923 E CA 0.394 56.895 56.400 0.169 0.000 0.935 923 E CB 0.423 30.196 29.700 0.121 0.000 0.917 923 E HN 0.548 nan 8.360 nan 0.000 0.491 924 S N -0.869 114.909 115.700 0.131 0.000 2.841 924 S HA 0.524 4.888 4.470 -0.177 0.000 0.318 924 S C 0.819 175.417 174.600 -0.004 0.000 1.127 924 S CA -0.722 57.520 58.200 0.069 0.000 0.883 924 S CB 2.264 65.498 63.200 0.056 0.000 1.271 924 S HN -0.119 nan 8.310 nan 0.000 0.567 925 R N -0.181 120.303 120.500 -0.027 0.000 2.123 925 R HA 0.186 4.420 4.340 -0.177 0.000 0.209 925 R C 2.672 178.895 176.300 -0.128 0.000 1.078 925 R CA 0.998 57.032 56.100 -0.110 0.000 1.028 925 R CB -1.012 29.265 30.300 -0.040 0.000 0.939 925 R HN 0.871 nan 8.270 nan 0.000 0.463 926 E N 1.707 121.877 120.200 -0.050 0.000 2.209 926 E HA -0.272 3.972 4.350 -0.177 0.000 0.196 926 E C 1.661 178.254 176.600 -0.012 0.000 0.993 926 E CA 1.658 58.044 56.400 -0.023 0.000 0.819 926 E CB -0.530 29.182 29.700 0.020 0.000 0.745 926 E HN 0.522 nan 8.360 nan 0.000 0.477 927 Q N -1.026 118.766 119.800 -0.013 0.000 2.089 927 Q HA 0.002 4.236 4.340 -0.177 0.000 0.195 927 Q C 2.351 178.284 176.000 -0.111 0.000 0.963 927 Q CA 1.153 56.986 55.803 0.049 0.000 0.834 927 Q CB -0.175 28.663 28.738 0.166 0.000 0.906 927 Q HN 0.503 nan 8.270 nan 0.000 0.452 928 L N 1.736 122.676 121.223 -0.473 0.000 2.013 928 L HA -0.220 4.014 4.340 -0.177 0.000 0.212 928 L C 2.398 178.992 176.870 -0.460 0.000 1.073 928 L CA 2.315 56.553 54.840 -1.003 0.000 0.753 928 L CB -0.639 40.814 42.059 -1.010 0.000 0.890 928 L HN 0.219 nan 8.230 nan 0.000 0.432 929 K N -0.495 119.722 120.400 -0.304 0.000 2.032 929 K HA -0.292 3.922 4.320 -0.177 0.000 0.209 929 K C 2.145 178.669 176.600 -0.127 0.000 1.048 929 K CA 2.086 58.249 56.287 -0.207 0.000 0.927 929 K CB -0.289 32.118 32.500 -0.154 0.000 0.712 929 K HN 0.578 nan 8.250 nan 0.000 0.441 930 E N -0.061 120.126 120.200 -0.022 0.000 2.023 930 E HA -0.181 4.063 4.350 -0.177 0.000 0.196 930 E C 1.948 178.625 176.600 0.129 0.000 1.003 930 E CA 1.791 58.256 56.400 0.109 0.000 0.809 930 E CB 0.053 29.886 29.700 0.221 0.000 0.755 930 E HN 0.173 nan 8.360 nan 0.000 0.449 931 V N 1.423 121.439 119.914 0.170 0.000 2.220 931 V HA -0.325 3.689 4.120 -0.177 0.000 0.246 931 V C 2.511 178.675 176.094 0.115 0.000 1.049 931 V CA 1.950 64.386 62.300 0.228 0.000 1.003 931 V CB -0.731 31.395 31.823 0.504 0.000 0.634 931 V HN 0.366 nan 8.190 nan 0.000 0.444 932 L N -0.168 121.102 121.223 0.079 0.000 2.034 932 L HA -0.293 3.941 4.340 -0.177 0.000 0.217 932 L C 2.645 179.458 176.870 -0.095 0.000 1.077 932 L CA 2.376 57.216 54.840 0.000 0.000 0.769 932 L CB -1.347 40.638 42.059 -0.124 0.000 0.890 932 L HN 0.430 nan 8.230 nan 0.000 0.435 933 T N -0.807 113.625 114.554 -0.204 0.000 2.652 933 T HA -0.186 4.058 4.350 -0.177 0.000 0.267 933 T C 2.112 176.613 174.700 -0.331 0.000 1.039 933 T CA 1.687 63.525 62.100 -0.438 0.000 1.153 933 T CB -0.241 68.123 68.868 -0.839 0.000 0.863 933 T HN 0.317 nan 8.240 nan 0.000 0.428 934 S N 1.634 117.292 115.700 -0.069 0.000 2.377 934 S HA -0.147 4.217 4.470 -0.177 0.000 0.224 934 S C 1.944 176.647 174.600 0.171 0.000 1.042 934 S CA 1.259 59.656 58.200 0.329 0.000 1.086 934 S CB -0.848 62.571 63.200 0.365 0.000 0.995 934 S HN 0.273 nan 8.310 nan 0.000 0.428 935 L N 2.330 123.513 121.223 -0.068 0.000 1.991 935 L HA -0.180 4.054 4.340 -0.177 0.000 0.221 935 L C 2.523 179.321 176.870 -0.121 0.000 1.079 935 L CA 2.433 57.116 54.840 -0.260 0.000 0.778 935 L CB -1.090 40.824 42.059 -0.242 0.000 0.893 935 L HN 0.369 nan 8.230 nan 0.000 0.437 936 V N -2.674 117.251 119.914 0.018 0.000 2.515 936 V HA -0.243 3.771 4.120 -0.177 0.000 0.250 936 V C 2.381 178.559 176.094 0.140 0.000 1.058 936 V CA 1.770 64.106 62.300 0.060 0.000 1.064 936 V CB -1.354 30.305 31.823 -0.274 0.000 0.675 936 V HN 0.480 nan 8.190 nan 0.000 0.461 937 F N 2.349 122.317 119.950 0.031 0.000 2.216 937 F HA -0.081 4.338 4.527 -0.179 0.000 0.300 937 F C 2.215 178.168 175.800 0.256 0.000 1.085 937 F CA 2.273 60.371 58.000 0.163 0.000 1.326 937 F CB -0.500 38.654 39.000 0.257 0.000 1.027 937 F HN 0.193 nan 8.300 nan 0.000 0.497 938 T N 0.136 114.841 114.554 0.252 0.000 2.851 938 T HA -0.098 4.146 4.350 -0.177 0.000 0.262 938 T C 1.867 176.664 174.700 0.162 0.000 1.043 938 T CA 1.305 63.523 62.100 0.197 0.000 1.140 938 T CB -0.641 68.375 68.868 0.247 0.000 0.872 938 T HN 0.282 nan 8.240 nan 0.000 0.446 939 F N 1.835 121.861 119.950 0.128 0.000 2.216 939 F HA -0.156 4.262 4.527 -0.182 0.000 0.300 939 F C 2.612 178.494 175.800 0.138 0.000 1.085 939 F CA 0.860 58.926 58.000 0.111 0.000 1.326 939 F CB 0.024 39.115 39.000 0.152 0.000 1.027 939 F HN 0.260 nan 8.300 nan 0.000 0.497 940 S N -1.273 114.625 115.700 0.329 0.000 2.836 940 S HA -0.070 4.294 4.470 -0.177 0.000 0.164 940 S C 1.957 176.629 174.600 0.121 0.000 0.714 940 S CA 0.436 58.787 58.200 0.251 0.000 0.906 940 S CB -0.759 62.603 63.200 0.270 0.000 0.702 940 S HN 0.271 nan 8.310 nan 0.000 0.571 941 C N 2.009 121.247 119.300 -0.104 0.000 2.349 941 C HA -0.132 4.222 4.460 -0.177 0.000 0.274 941 C C 3.077 177.956 174.990 -0.185 0.000 1.178 941 C CA 1.532 60.396 59.018 -0.256 0.000 1.769 941 C CB -1.632 25.675 27.740 -0.722 0.000 2.047 941 C HN 0.645 nan 8.230 nan 0.000 0.448 942 Q N 0.153 119.723 119.800 -0.383 0.000 2.029 942 Q HA -0.229 4.005 4.340 -0.177 0.000 0.209 942 Q C 1.969 178.077 176.000 0.180 0.000 0.999 942 Q CA 2.333 58.165 55.803 0.048 0.000 0.857 942 Q CB -1.047 27.794 28.738 0.172 0.000 0.926 942 Q HN 0.883 nan 8.270 nan 0.000 0.415 943 H N -0.127 119.015 119.070 0.119 0.000 2.319 943 H HA -0.125 4.325 4.556 -0.177 0.000 0.297 943 H C 1.689 177.117 175.328 0.167 0.000 1.097 943 H CA 2.543 58.675 56.048 0.140 0.000 1.285 943 H CB -0.250 29.604 29.762 0.153 0.000 1.368 943 H HN 0.300 nan 8.280 nan 0.000 0.495 944 A N 0.572 123.579 122.820 0.312 0.000 1.902 944 A HA -0.076 4.138 4.320 -0.177 0.000 0.217 944 A C 2.571 180.318 177.584 0.271 0.000 1.181 944 A CA 1.806 54.123 52.037 0.466 0.000 0.623 944 A CB -1.305 17.964 19.000 0.449 0.000 0.818 944 A HN 0.617 nan 8.150 nan 0.000 0.443 945 A N -1.237 121.720 122.820 0.229 0.000 2.121 945 A HA 0.160 4.374 4.320 -0.177 0.000 0.218 945 A C 2.055 179.655 177.584 0.026 0.000 1.154 945 A CA 1.610 53.792 52.037 0.242 0.000 0.679 945 A CB -0.426 18.895 19.000 0.535 0.000 0.795 945 A HN 0.873 nan 8.150 nan 0.000 0.458 946 V N -0.713 119.174 119.914 -0.045 0.000 3.661 946 V HA 0.079 4.093 4.120 -0.177 0.000 0.271 946 V C 1.454 177.373 176.094 -0.292 0.000 1.315 946 V CA 1.295 63.521 62.300 -0.124 0.000 1.072 946 V CB -0.071 31.730 31.823 -0.036 0.000 0.830 946 V HN 0.703 nan 8.190 nan 0.000 0.443 947 N N -0.156 118.250 118.700 -0.491 0.000 2.724 947 N HA 0.055 4.689 4.740 -0.177 0.000 0.226 947 N C 1.519 176.688 175.510 -0.569 0.000 1.030 947 N CA 0.696 53.284 53.050 -0.770 0.000 1.038 947 N CB -0.133 37.558 38.487 -1.327 0.000 1.475 947 N HN 0.381 nan 8.380 nan 0.000 0.472 948 F N 2.312 122.096 119.950 -0.276 0.000 2.529 948 F HA -0.030 4.390 4.527 -0.178 0.000 0.297 948 F C 2.148 177.852 175.800 -0.161 0.000 1.114 948 F CA 0.912 58.816 58.000 -0.160 0.000 1.467 948 F CB -0.029 38.950 39.000 -0.035 0.000 1.096 948 F HN 0.165 nan 8.300 nan 0.000 0.586 949 S N -1.331 114.168 115.700 -0.335 0.000 2.593 949 S HA -0.030 4.334 4.470 -0.177 0.000 0.217 949 S C 1.521 175.889 174.600 -0.386 0.000 0.966 949 S CA -0.123 57.603 58.200 -0.790 0.000 0.914 949 S CB -0.212 62.177 63.200 -1.351 0.000 0.776 949 S HN 0.454 nan 8.310 nan 0.000 0.523 950 Q N 1.328 120.978 119.800 -0.249 0.000 2.167 950 Q HA -0.043 4.191 4.340 -0.177 0.000 0.202 950 Q C 2.610 178.608 176.000 -0.003 0.000 0.970 950 Q CA 1.624 57.327 55.803 -0.167 0.000 0.855 950 Q CB -0.534 28.190 28.738 -0.024 0.000 0.911 950 Q HN 0.831 nan 8.270 nan 0.000 0.438 951 K N 1.069 121.485 120.400 0.026 0.000 2.097 951 K HA -0.195 4.019 4.320 -0.177 0.000 0.206 951 K C 1.494 177.962 176.600 -0.218 0.000 1.049 951 K CA 1.837 58.041 56.287 -0.137 0.000 0.933 951 K CB -0.602 31.756 32.500 -0.236 0.000 0.717 951 K HN 0.176 nan 8.250 nan 0.000 0.442 952 D N -1.011 119.329 120.400 -0.099 0.000 2.103 952 D HA -0.054 4.480 4.640 -0.177 0.000 0.199 952 D C 1.904 178.166 176.300 -0.063 0.000 0.978 952 D CA 1.285 55.240 54.000 -0.075 0.000 0.829 952 D CB -0.375 40.475 40.800 0.083 0.000 0.981 952 D HN 0.682 nan 8.370 nan 0.000 0.464 953 H N -0.242 118.706 119.070 -0.203 0.000 2.274 953 H HA -0.138 4.312 4.556 -0.176 0.000 0.296 953 H C 1.674 176.888 175.328 -0.190 0.000 1.061 953 H CA 1.938 57.800 56.048 -0.310 0.000 1.226 953 H CB -0.396 28.959 29.762 -0.679 0.000 1.370 953 H HN 0.210 nan 8.280 nan 0.000 0.507 954 Y N -0.320 120.036 120.300 0.093 0.000 2.583 954 Y HA -0.009 4.435 4.550 -0.177 0.000 0.293 954 Y C 2.592 178.497 175.900 0.009 0.000 1.157 954 Y CA -0.294 57.820 58.100 0.023 0.000 1.315 954 Y CB -0.068 38.440 38.460 0.080 0.000 1.021 954 Y HN 0.400 nan 8.280 nan 0.000 0.536 955 G N 1.340 110.210 108.800 0.116 0.000 2.624 955 G HA2 -0.362 3.492 3.960 -0.177 0.000 0.221 955 G HA3 -0.362 3.492 3.960 -0.177 0.000 0.221 955 G C 0.368 175.439 174.900 0.286 0.000 1.169 955 G CA 0.821 45.952 45.100 0.051 0.000 0.771 955 G HN 0.361 nan 8.290 nan 0.000 0.598 956 F N 2.101 122.058 119.950 0.011 0.000 2.319 956 F HA 0.394 4.815 4.527 -0.177 0.000 0.356 956 F C 1.814 177.422 175.800 -0.320 0.000 1.100 956 F CA -0.550 57.398 58.000 -0.087 0.000 1.220 956 F CB 0.261 39.189 39.000 -0.120 0.000 1.506 956 F HN 0.113 nan 8.300 nan 0.000 0.512 957 T N 2.159 116.393 114.554 -0.534 0.000 2.814 957 T HA -0.208 4.036 4.350 -0.177 0.000 0.264 957 T C -0.813 173.291 174.700 -0.993 0.000 1.050 957 T CA 1.620 63.329 62.100 -0.651 0.000 1.147 957 T CB -1.285 67.221 68.868 -0.602 0.000 0.833 957 T HN 0.393 nan 8.240 nan 0.000 0.498 958 P HA 0.039 nan 4.420 nan 0.000 0.230 958 P C 1.356 178.193 177.300 -0.771 0.000 1.158 958 P CA 0.676 62.876 63.100 -1.500 0.000 0.769 958 P CB -0.249 30.114 31.700 -2.228 0.000 0.807 959 N N -0.159 118.194 118.700 -0.578 0.000 2.424 959 N HA 0.008 4.642 4.740 -0.177 0.000 0.178 959 N C 0.034 175.514 175.510 -0.049 0.000 1.060 959 N CA 0.430 53.437 53.050 -0.072 0.000 0.901 959 N CB 0.355 38.871 38.487 0.049 0.000 0.979 959 N HN -0.116 nan 8.380 nan 0.000 0.451 960 A N 1.286 124.043 122.820 -0.105 0.000 3.399 960 A HA 0.384 4.598 4.320 -0.177 0.000 0.262 960 A C -2.785 174.787 177.584 -0.020 0.000 1.145 960 A CA -0.802 51.259 52.037 0.040 0.000 0.916 960 A CB 0.530 19.642 19.000 0.186 0.000 1.360 960 A HN 0.016 nan 8.150 nan 0.000 0.628 961 P HA 0.219 nan 4.420 nan 0.000 0.264 961 P C 0.979 178.140 177.300 -0.232 0.000 1.183 961 P CA 0.789 63.706 63.100 -0.306 0.000 0.763 961 P CB 1.246 32.694 31.700 -0.420 0.000 0.807 962 A N 2.974 125.630 122.820 -0.272 0.000 2.140 962 A HA 0.237 4.451 4.320 -0.177 0.000 0.209 962 A C 0.524 177.999 177.584 -0.182 0.000 1.181 962 A CA 0.837 52.733 52.037 -0.234 0.000 0.824 962 A CB 0.224 19.046 19.000 -0.297 0.000 0.879 962 A HN 0.412 nan 8.150 nan 0.000 0.480 963 V N 0.490 120.281 119.914 -0.204 0.000 2.789 963 V HA 0.465 4.479 4.120 -0.177 0.000 0.311 963 V C -1.106 174.851 176.094 -0.228 0.000 1.073 963 V CA -0.495 61.707 62.300 -0.164 0.000 0.921 963 V CB 2.040 33.791 31.823 -0.120 0.000 1.009 963 V HN 0.321 nan 8.190 nan 0.000 0.426 964 L N 4.264 125.371 121.223 -0.193 0.000 2.376 964 L HA 0.548 4.782 4.340 -0.177 0.000 0.275 964 L C 0.815 177.613 176.870 -0.120 0.000 0.987 964 L CA -0.545 54.113 54.840 -0.303 0.000 0.828 964 L CB 2.285 43.963 42.059 -0.635 0.000 1.249 964 L HN 0.638 nan 8.230 nan 0.000 0.409 965 R N 0.944 121.307 120.500 -0.228 0.000 2.313 965 R HA 0.132 4.366 4.340 -0.177 0.000 0.199 965 R C -0.238 175.691 176.300 -0.619 0.000 0.958 965 R CA 0.303 56.227 56.100 -0.292 0.000 1.047 965 R CB -0.006 30.069 30.300 -0.375 0.000 0.955 965 R HN 0.468 nan 8.270 nan 0.000 0.481 966 H N -1.273 117.590 119.070 -0.344 0.000 2.985 966 H HA 0.351 4.801 4.556 -0.177 0.000 0.360 966 H C -2.502 172.287 175.328 -0.898 0.000 1.221 966 H CA -2.751 52.951 56.048 -0.577 0.000 1.121 966 H CB 1.789 31.429 29.762 -0.203 0.000 1.854 966 H HN -0.256 nan 8.280 nan 0.000 0.551 967 P HA 0.098 nan 4.420 nan 0.000 0.273 967 P C -2.399 174.903 177.300 0.004 0.000 1.250 967 P CA -0.997 61.937 63.100 -0.277 0.000 0.793 967 P CB 0.053 31.744 31.700 -0.014 0.000 1.011 968 P HA 0.315 nan 4.420 nan 0.000 0.284 968 P C -2.567 174.626 177.300 -0.178 0.000 1.258 968 P CA -2.228 60.547 63.100 -0.542 0.000 0.824 968 P CB -0.565 30.328 31.700 -1.344 0.000 1.038 969 P HA -0.085 nan 4.420 nan 0.000 0.255 969 P C 0.439 177.829 177.300 0.150 0.000 1.161 969 P CA 0.620 63.770 63.100 0.083 0.000 0.768 969 P CB 0.026 31.773 31.700 0.077 0.000 0.746 970 K N 2.276 122.747 120.400 0.118 0.000 2.166 970 K HA 0.142 4.356 4.320 -0.177 0.000 0.201 970 K C 1.207 177.882 176.600 0.126 0.000 1.052 970 K CA 1.122 57.468 56.287 0.099 0.000 0.969 970 K CB -0.681 31.854 32.500 0.059 0.000 0.761 970 K HN 0.348 nan 8.250 nan 0.000 0.459 971 K N 1.342 121.834 120.400 0.153 0.000 2.380 971 K HA 0.528 4.742 4.320 -0.177 0.000 0.243 971 K C -0.647 176.105 176.600 0.253 0.000 1.071 971 K CA -0.710 55.659 56.287 0.136 0.000 0.942 971 K CB 0.404 32.962 32.500 0.096 0.000 1.324 971 K HN 0.070 nan 8.250 nan 0.000 0.517 972 K N -1.006 119.507 120.400 0.189 0.000 2.221 972 K HA 0.587 4.801 4.320 -0.177 0.000 0.243 972 K C 0.394 177.141 176.600 0.245 0.000 0.968 972 K CA -0.224 56.239 56.287 0.294 0.000 0.846 972 K CB 1.762 34.315 32.500 0.088 0.000 1.141 972 K HN 1.176 nan 8.250 nan 0.000 0.434 973 G N 0.165 109.145 108.800 0.299 0.000 2.225 973 G HA2 -0.347 3.507 3.960 -0.177 0.000 0.267 973 G HA3 -0.347 3.507 3.960 -0.177 0.000 0.267 973 G C 0.470 175.472 174.900 0.170 0.000 1.024 973 G CA 1.088 46.314 45.100 0.210 0.000 0.784 973 G HN 0.758 nan 8.290 nan 0.000 0.507 974 E N -1.348 118.957 120.200 0.175 0.000 2.413 974 E HA 0.718 4.962 4.350 -0.177 0.000 0.203 974 E C 1.492 178.164 176.600 0.120 0.000 0.957 974 E CA 1.158 57.634 56.400 0.126 0.000 0.950 974 E CB -0.113 29.651 29.700 0.107 0.000 0.957 974 E HN 2.179 nan 8.360 nan 0.000 0.497 975 A N 1.577 124.485 122.820 0.146 0.000 2.563 975 A HA 0.424 4.638 4.320 -0.177 0.000 0.256 975 A C 0.489 178.163 177.584 0.150 0.000 1.056 975 A CA 0.757 52.876 52.037 0.135 0.000 0.775 975 A CB -0.462 18.638 19.000 0.166 0.000 0.973 975 A HN 0.282 nan 8.150 nan 0.000 0.516 976 T N 3.117 117.678 114.554 0.011 0.000 2.940 976 T HA 0.366 4.610 4.350 -0.177 0.000 0.288 976 T C 1.325 175.780 174.700 -0.408 0.000 1.033 976 T CA -0.440 61.606 62.100 -0.089 0.000 1.033 976 T CB 1.305 70.156 68.868 -0.029 0.000 1.079 976 T HN 0.578 nan 8.240 nan 0.000 0.496 977 L N 2.339 123.191 121.223 -0.619 0.000 2.079 977 L HA -0.052 4.182 4.340 -0.177 0.000 0.210 977 L C 2.756 179.478 176.870 -0.247 0.000 1.081 977 L CA 2.547 57.060 54.840 -0.544 0.000 0.752 977 L CB -1.369 40.525 42.059 -0.275 0.000 0.896 977 L HN 0.869 nan 8.230 nan 0.000 0.433 978 Q N -0.408 119.300 119.800 -0.153 0.000 1.942 978 Q HA -0.223 4.011 4.340 -0.177 0.000 0.203 978 Q C 2.481 178.444 176.000 -0.060 0.000 0.987 978 Q CA 2.953 58.708 55.803 -0.081 0.000 0.844 978 Q CB -1.797 26.912 28.738 -0.048 0.000 0.911 978 Q HN 0.810 nan 8.270 nan 0.000 0.423 979 S N 1.233 116.899 115.700 -0.057 0.000 2.380 979 S HA -0.231 4.133 4.470 -0.177 0.000 0.229 979 S C 1.961 176.559 174.600 -0.003 0.000 1.050 979 S CA 2.159 60.340 58.200 -0.031 0.000 1.100 979 S CB -1.134 62.049 63.200 -0.029 0.000 0.984 979 S HN 1.234 nan 8.310 nan 0.000 0.434 980 I N -1.247 119.315 120.570 -0.013 0.000 3.454 980 I HA 0.249 4.313 4.170 -0.177 0.000 0.297 980 I C 1.514 177.629 176.117 -0.004 0.000 1.298 980 I CA 0.663 61.984 61.300 0.035 0.000 1.297 980 I CB -0.130 37.968 38.000 0.164 0.000 1.017 980 I HN 0.267 nan 8.210 nan 0.000 0.528 981 L N 0.602 121.809 121.223 -0.026 0.000 2.781 981 L HA 0.238 4.472 4.340 -0.177 0.000 0.245 981 L C 2.007 178.883 176.870 0.010 0.000 1.118 981 L CA 1.055 55.882 54.840 -0.021 0.000 0.918 981 L CB 0.269 42.294 42.059 -0.057 0.000 1.246 981 L HN 0.386 nan 8.230 nan 0.000 0.526 982 S N -3.753 111.963 115.700 0.027 0.000 2.557 982 S HA 0.132 4.496 4.470 -0.177 0.000 0.223 982 S C 1.175 175.834 174.600 0.098 0.000 0.969 982 S CA 0.409 58.655 58.200 0.077 0.000 0.927 982 S CB 0.037 63.309 63.200 0.120 0.000 0.806 982 S HN 0.233 nan 8.310 nan 0.000 0.489 983 T N 1.683 116.248 114.554 0.018 0.000 3.026 983 T HA 0.408 4.652 4.350 -0.177 0.000 0.245 983 T C 0.545 175.091 174.700 -0.256 0.000 1.004 983 T CA -0.233 61.816 62.100 -0.084 0.000 1.069 983 T CB -0.091 68.749 68.868 -0.047 0.000 1.005 983 T HN 0.269 nan 8.240 nan 0.000 0.472 984 L N 3.329 124.383 121.223 -0.281 0.000 2.483 984 L HA 0.175 4.409 4.340 -0.177 0.000 0.277 984 L C -1.933 174.817 176.870 -0.200 0.000 1.248 984 L CA -1.668 52.938 54.840 -0.390 0.000 0.825 984 L CB -0.183 41.608 42.059 -0.446 0.000 1.096 984 L HN 0.047 nan 8.230 nan 0.000 0.512 985 P HA -0.012 nan 4.420 nan 0.000 0.262 985 P C -0.430 176.940 177.300 0.117 0.000 1.182 985 P CA -0.199 62.849 63.100 -0.087 0.000 0.761 985 P CB 0.571 32.182 31.700 -0.148 0.000 0.795 986 S N 1.934 117.684 115.700 0.083 0.000 2.598 986 S HA 0.210 4.574 4.470 -0.177 0.000 0.256 986 S C 1.867 176.600 174.600 0.222 0.000 1.350 986 S CA 0.377 58.647 58.200 0.117 0.000 0.984 986 S CB -0.029 63.168 63.200 -0.005 0.000 0.930 986 S HN 0.527 nan 8.310 nan 0.000 0.577 987 K N 1.021 121.362 120.400 -0.099 0.000 2.044 987 K HA -0.149 4.065 4.320 -0.177 0.000 0.210 987 K C 2.617 179.109 176.600 -0.179 0.000 1.049 987 K CA 2.469 58.552 56.287 -0.340 0.000 0.927 987 K CB -1.938 29.989 32.500 -0.956 0.000 0.713 987 K HN 1.012 nan 8.250 nan 0.000 0.443 988 S N 0.259 115.765 115.700 -0.325 0.000 2.414 988 S HA -0.145 4.219 4.470 -0.177 0.000 0.227 988 S C 2.249 176.667 174.600 -0.303 0.000 1.022 988 S CA 1.047 58.991 58.200 -0.426 0.000 0.958 988 S CB -0.078 62.742 63.200 -0.633 0.000 0.797 988 S HN 0.708 nan 8.310 nan 0.000 0.493 989 Q N 1.459 121.167 119.800 -0.153 0.000 2.016 989 Q HA 0.058 4.292 4.340 -0.177 0.000 0.200 989 Q C 2.615 178.558 176.000 -0.096 0.000 0.978 989 Q CA 1.420 57.164 55.803 -0.099 0.000 0.833 989 Q CB -0.569 28.138 28.738 -0.052 0.000 0.895 989 Q HN 0.739 nan 8.270 nan 0.000 0.427 990 A N 1.054 123.875 122.820 0.002 0.000 2.024 990 A HA -0.120 4.094 4.320 -0.177 0.000 0.220 990 A C 2.221 179.778 177.584 -0.045 0.000 1.164 990 A CA 1.561 53.607 52.037 0.015 0.000 0.643 990 A CB -0.575 18.542 19.000 0.196 0.000 0.806 990 A HN 0.401 nan 8.150 nan 0.000 0.451 991 A N -0.440 122.286 122.820 -0.157 0.000 1.897 991 A HA 0.147 4.361 4.320 -0.177 0.000 0.215 991 A C 2.351 179.692 177.584 -0.405 0.000 1.181 991 A CA 2.258 54.071 52.037 -0.372 0.000 0.620 991 A CB -0.797 17.717 19.000 -0.810 0.000 0.821 991 A HN 0.673 nan 8.150 nan 0.000 0.443 992 K N -0.245 119.938 120.400 -0.363 0.000 2.280 992 K HA 0.214 4.428 4.320 -0.177 0.000 0.202 992 K C 2.176 178.744 176.600 -0.053 0.000 1.047 992 K CA 1.840 58.043 56.287 -0.140 0.000 0.942 992 K CB -1.211 31.242 32.500 -0.078 0.000 0.739 992 K HN 0.794 nan 8.250 nan 0.000 0.457 993 A N 1.047 123.822 122.820 -0.075 0.000 1.823 993 A HA 0.121 4.335 4.320 -0.177 0.000 0.214 993 A C 2.288 179.908 177.584 0.061 0.000 1.225 993 A CA 1.442 53.449 52.037 -0.050 0.000 0.604 993 A CB -0.416 18.521 19.000 -0.106 0.000 0.878 993 A HN 0.365 nan 8.150 nan 0.000 0.450 994 I N 0.742 121.385 120.570 0.121 0.000 2.143 994 I HA -0.369 3.695 4.170 -0.177 0.000 0.245 994 I C 2.889 179.116 176.117 0.184 0.000 1.068 994 I CA 1.717 63.189 61.300 0.287 0.000 1.326 994 I CB -0.797 37.391 38.000 0.314 0.000 1.028 994 I HN 0.373 nan 8.210 nan 0.000 0.412 995 A N -0.454 122.427 122.820 0.101 0.000 1.873 995 A HA -0.274 3.940 4.320 -0.177 0.000 0.218 995 A C 2.434 180.083 177.584 0.108 0.000 1.193 995 A CA 2.880 54.977 52.037 0.101 0.000 0.629 995 A CB -1.409 17.702 19.000 0.185 0.000 0.826 995 A HN 0.465 nan 8.150 nan 0.000 0.447 996 T N -0.352 114.259 114.554 0.096 0.000 2.674 996 T HA -0.120 4.124 4.350 -0.177 0.000 0.265 996 T C 1.890 176.661 174.700 0.120 0.000 1.039 996 T CA 1.624 63.777 62.100 0.089 0.000 1.150 996 T CB -0.602 68.298 68.868 0.054 0.000 0.864 996 T HN 0.145 nan 8.240 nan 0.000 0.427 997 V N 0.672 120.689 119.914 0.171 0.000 2.332 997 V HA -0.201 3.813 4.120 -0.177 0.000 0.248 997 V C 2.044 178.256 176.094 0.196 0.000 1.055 997 V CA 1.720 64.172 62.300 0.254 0.000 1.038 997 V CB -0.816 31.265 31.823 0.429 0.000 0.651 997 V HN 0.518 nan 8.190 nan 0.000 0.450 998 Y N 0.780 121.039 120.300 -0.068 0.000 2.128 998 Y HA -0.264 4.181 4.550 -0.176 0.000 0.284 998 Y C 2.272 178.058 175.900 -0.189 0.000 1.154 998 Y CA 2.079 59.902 58.100 -0.461 0.000 1.149 998 Y CB -0.173 37.814 38.460 -0.789 0.000 0.976 998 Y HN 0.205 nan 8.280 nan 0.000 0.505 999 I N -0.585 119.999 120.570 0.025 0.000 2.315 999 I HA -0.276 3.788 4.170 -0.177 0.000 0.248 999 I C 2.144 178.254 176.117 -0.012 0.000 1.117 999 I CA 0.595 61.896 61.300 0.001 0.000 1.404 999 I CB -0.497 37.531 38.000 0.047 0.000 1.071 999 I HN 0.275 nan 8.210 nan 0.000 0.419 1000 L N 0.875 122.113 121.223 0.025 0.000 2.083 1000 L HA -0.131 4.103 4.340 -0.177 0.000 0.209 1000 L C 2.039 178.850 176.870 -0.098 0.000 1.083 1000 L CA 2.171 57.030 54.840 0.032 0.000 0.752 1000 L CB -1.409 40.695 42.059 0.075 0.000 0.899 1000 L HN 0.434 nan 8.230 nan 0.000 0.433 1001 T N -3.332 111.148 114.554 -0.123 0.000 3.260 1001 T HA 0.168 4.412 4.350 -0.177 0.000 0.254 1001 T C 0.311 174.943 174.700 -0.114 0.000 0.951 1001 T CA -0.416 61.580 62.100 -0.173 0.000 0.918 1001 T CB 0.079 68.942 68.868 -0.009 0.000 1.098 1001 T HN -0.158 nan 8.240 nan 0.000 0.563 1002 K N 1.512 121.842 120.400 -0.118 0.000 2.263 1002 K HA 0.547 4.761 4.320 -0.177 0.000 0.272 1002 K C -0.949 175.700 176.600 0.082 0.000 1.033 1002 K CA -1.193 55.046 56.287 -0.081 0.000 0.884 1002 K CB 0.114 32.522 32.500 -0.153 0.000 1.107 1002 K HN 0.253 nan 8.250 nan 0.000 0.460 1003 F N 1.974 122.050 119.950 0.210 0.000 2.418 1003 F HA 0.193 4.613 4.527 -0.178 0.000 0.341 1003 F C 1.264 177.125 175.800 0.102 0.000 1.120 1003 F CA -0.094 58.009 58.000 0.173 0.000 1.232 1003 F CB 1.098 40.176 39.000 0.129 0.000 1.175 1003 F HN 0.560 nan 8.300 nan 0.000 0.569 1004 S N 0.946 116.814 115.700 0.279 0.000 2.713 1004 S HA 0.481 4.845 4.470 -0.177 0.000 0.283 1004 S C 0.826 175.502 174.600 0.127 0.000 1.161 1004 S CA -0.210 58.074 58.200 0.140 0.000 0.999 1004 S CB 1.488 64.717 63.200 0.048 0.000 1.039 1004 S HN 0.735 nan 8.310 nan 0.000 0.548 1005 E N 0.742 120.991 120.200 0.081 0.000 2.072 1005 E HA -0.127 4.117 4.350 -0.177 0.000 0.191 1005 E C 1.113 177.745 176.600 0.053 0.000 0.985 1005 E CA 1.395 57.833 56.400 0.064 0.000 0.801 1005 E CB -1.153 28.575 29.700 0.047 0.000 0.750 1005 E HN 0.925 nan 8.360 nan 0.000 0.452 1006 D N 0.387 120.809 120.400 0.038 0.000 2.652 1006 D HA 0.113 4.647 4.640 -0.177 0.000 0.247 1006 D C 0.033 176.344 176.300 0.019 0.000 1.232 1006 D CA 0.024 54.039 54.000 0.025 0.000 0.863 1006 D CB -0.145 40.664 40.800 0.014 0.000 1.023 1006 D HN 0.356 nan 8.370 nan 0.000 0.474 1007 E N 0.589 120.802 120.200 0.023 0.000 2.319 1007 E HA 0.424 4.668 4.350 -0.177 0.000 0.268 1007 E C -0.512 176.016 176.600 -0.119 0.000 1.050 1007 E CA -0.474 55.883 56.400 -0.071 0.000 0.878 1007 E CB 0.888 30.523 29.700 -0.109 0.000 1.066 1007 E HN 0.110 nan 8.360 nan 0.000 0.406 1008 R N 2.210 122.540 120.500 -0.284 0.000 2.686 1008 R HA 0.417 4.651 4.340 -0.177 0.000 0.283 1008 R C -1.077 174.971 176.300 -0.420 0.000 0.978 1008 R CA -0.753 55.239 56.100 -0.179 0.000 0.897 1008 R CB 1.213 31.451 30.300 -0.103 0.000 1.192 1008 R HN 0.483 nan 8.270 nan 0.000 0.457 1009 Y N 0.710 120.943 120.300 -0.112 0.000 2.631 1009 Y HA 0.206 4.649 4.550 -0.178 0.000 0.328 1009 Y C 1.327 177.137 175.900 -0.150 0.000 1.118 1009 Y CA -1.009 57.022 58.100 -0.114 0.000 1.206 1009 Y CB 0.333 38.702 38.460 -0.151 0.000 1.337 1009 Y HN 0.374 nan 8.280 nan 0.000 0.515 1010 L N 1.512 122.763 121.223 0.046 0.000 2.107 1010 L HA -0.312 3.922 4.340 -0.177 0.000 0.242 1010 L C 2.149 178.841 176.870 -0.296 0.000 1.115 1010 L CA 2.637 57.456 54.840 -0.035 0.000 0.842 1010 L CB -1.386 40.666 42.059 -0.012 0.000 0.941 1010 L HN 0.974 nan 8.230 nan 0.000 0.448 1011 G N -0.849 107.717 108.800 -0.391 0.000 2.721 1011 G HA2 -0.380 3.474 3.960 -0.177 0.000 0.218 1011 G HA3 -0.380 3.474 3.960 -0.177 0.000 0.218 1011 G C 0.727 175.223 174.900 -0.673 0.000 1.265 1011 G CA 0.752 45.503 45.100 -0.581 0.000 0.796 1011 G HN 0.693 nan 8.290 nan 0.000 0.620 1012 N N 0.009 118.482 118.700 -0.380 0.000 1.935 1012 N HA -0.150 4.484 4.740 -0.177 0.000 0.304 1012 N C -0.600 174.741 175.510 -0.282 0.000 1.286 1012 N CA 0.680 53.574 53.050 -0.259 0.000 0.798 1012 N CB -0.025 38.395 38.487 -0.112 0.000 1.028 1012 N HN 0.297 nan 8.380 nan 0.000 0.494 1013 Y N 0.656 120.941 120.300 -0.025 0.000 2.825 1013 Y HA 0.160 4.604 4.550 -0.178 0.000 0.259 1013 Y C 1.783 177.659 175.900 -0.040 0.000 1.113 1013 Y CA -0.528 57.566 58.100 -0.010 0.000 1.241 1013 Y CB -0.453 38.076 38.460 0.114 0.000 1.331 1013 Y HN 0.469 nan 8.280 nan 0.000 0.570 1014 S N 0.903 116.659 115.700 0.093 0.000 2.421 1014 S HA -0.233 4.131 4.470 -0.177 0.000 0.239 1014 S C 1.542 176.141 174.600 -0.002 0.000 1.054 1014 S CA 1.657 59.893 58.200 0.060 0.000 1.035 1014 S CB -0.186 63.041 63.200 0.045 0.000 0.840 1014 S HN 0.408 nan 8.310 nan 0.000 0.475 1015 A N 1.648 124.357 122.820 -0.186 0.000 3.154 1015 A HA 0.526 4.740 4.320 -0.177 0.000 0.310 1015 A C 0.387 177.220 177.584 -1.252 0.000 1.093 1015 A CA -0.633 50.985 52.037 -0.698 0.000 1.006 1015 A CB 0.008 18.813 19.000 -0.324 0.000 1.084 1015 A HN 0.356 nan 8.150 nan 0.000 0.549 1016 T N -3.435 110.619 114.554 -0.833 0.000 2.924 1016 T HA 0.735 4.979 4.350 -0.177 0.000 0.291 1016 T C 1.108 175.590 174.700 -0.363 0.000 1.045 1016 T CA -0.065 61.672 62.100 -0.605 0.000 1.015 1016 T CB 1.743 70.435 68.868 -0.293 0.000 1.103 1016 T HN 0.552 nan 8.240 nan 0.000 0.496 1017 A N 0.591 123.236 122.820 -0.292 0.000 1.836 1017 A HA 0.211 4.425 4.320 -0.177 0.000 0.212 1017 A C 0.350 177.975 177.584 0.068 0.000 1.243 1017 A CA 0.243 52.250 52.037 -0.050 0.000 0.620 1017 A CB -1.787 17.116 19.000 -0.161 0.000 0.889 1017 A HN 1.008 nan 8.150 nan 0.000 0.463 1018 W N -0.704 120.597 121.300 0.002 0.000 3.156 1018 W HA -0.166 4.380 4.660 -0.190 0.000 0.437 1018 W C 0.619 177.175 176.519 0.062 0.000 1.846 1018 W CA 0.263 57.623 57.345 0.026 0.000 0.473 1018 W CB -0.083 29.387 29.460 0.016 0.000 2.860 1018 W HN 0.580 nan 8.180 nan 0.000 0.445 1019 E N 1.119 121.542 120.200 0.373 0.000 2.306 1019 E HA -0.073 4.171 4.350 -0.177 0.000 0.201 1019 E C 0.911 177.616 176.600 0.174 0.000 0.874 1019 E CA 0.296 56.822 56.400 0.211 0.000 0.972 1019 E CB -0.423 29.352 29.700 0.125 0.000 0.957 1019 E HN 0.471 nan 8.360 nan 0.000 0.492 1020 D N 1.888 122.422 120.400 0.222 0.000 2.581 1020 D HA -0.113 4.421 4.640 -0.177 0.000 0.238 1020 D C 1.176 177.502 176.300 0.044 0.000 1.145 1020 D CA 0.925 54.999 54.000 0.123 0.000 0.866 1020 D CB 1.078 41.977 40.800 0.165 0.000 1.151 1020 D HN 0.047 nan 8.370 nan 0.000 0.500 1021 K N 4.458 124.860 120.400 0.003 0.000 2.034 1021 K HA -0.267 3.947 4.320 -0.177 0.000 0.214 1021 K C 1.792 178.366 176.600 -0.044 0.000 1.051 1021 K CA 2.460 58.739 56.287 -0.013 0.000 0.931 1021 K CB -1.038 31.448 32.500 -0.024 0.000 0.715 1021 K HN 0.663 nan 8.250 nan 0.000 0.446 1022 D N -0.153 120.196 120.400 -0.085 0.000 2.116 1022 D HA -0.083 4.451 4.640 -0.177 0.000 0.193 1022 D C 2.275 178.490 176.300 -0.142 0.000 0.998 1022 D CA 1.962 55.890 54.000 -0.119 0.000 0.836 1022 D CB -0.301 40.392 40.800 -0.178 0.000 0.951 1022 D HN 0.576 nan 8.370 nan 0.000 0.449 1023 A N 0.616 123.322 122.820 -0.189 0.000 1.859 1023 A HA -0.208 4.006 4.320 -0.177 0.000 0.217 1023 A C 2.282 179.731 177.584 -0.225 0.000 1.198 1023 A CA 1.441 53.270 52.037 -0.348 0.000 0.629 1023 A CB -1.091 17.546 19.000 -0.605 0.000 0.830 1023 A HN 0.242 nan 8.150 nan 0.000 0.446 1024 L N -0.464 120.689 121.223 -0.116 0.000 2.034 1024 L HA -0.312 3.922 4.340 -0.177 0.000 0.217 1024 L C 2.333 179.223 176.870 0.033 0.000 1.077 1024 L CA 1.910 56.749 54.840 -0.001 0.000 0.769 1024 L CB -1.014 41.069 42.059 0.040 0.000 0.890 1024 L HN 0.411 nan 8.230 nan 0.000 0.435 1025 D N 0.069 120.472 120.400 0.005 0.000 2.078 1025 D HA -0.174 4.360 4.640 -0.177 0.000 0.193 1025 D C 2.245 178.585 176.300 0.066 0.000 0.990 1025 D CA 1.640 55.654 54.000 0.024 0.000 0.827 1025 D CB -0.185 40.612 40.800 -0.006 0.000 0.975 1025 D HN 0.338 nan 8.370 nan 0.000 0.451 1026 A N 1.255 124.094 122.820 0.033 0.000 1.903 1026 A HA -0.234 3.980 4.320 -0.177 0.000 0.219 1026 A C 2.426 180.242 177.584 0.386 0.000 1.191 1026 A CA 1.445 53.541 52.037 0.098 0.000 0.638 1026 A CB -0.943 17.989 19.000 -0.114 0.000 0.823 1026 A HN 0.235 nan 8.150 nan 0.000 0.451 1027 I N -0.201 120.630 120.570 0.435 0.000 2.058 1027 I HA -0.331 3.733 4.170 -0.177 0.000 0.235 1027 I C 2.280 178.570 176.117 0.289 0.000 1.053 1027 I CA 1.707 63.331 61.300 0.540 0.000 1.313 1027 I CB -0.709 37.531 38.000 0.401 0.000 1.039 1027 I HN 0.376 nan 8.210 nan 0.000 0.396 1028 N N 0.611 119.410 118.700 0.166 0.000 2.137 1028 N HA -0.229 4.405 4.740 -0.177 0.000 0.190 1028 N C 1.929 177.489 175.510 0.083 0.000 1.017 1028 N CA 1.272 54.369 53.050 0.079 0.000 0.859 1028 N CB -0.433 38.087 38.487 0.055 0.000 1.002 1028 N HN 0.363 nan 8.380 nan 0.000 0.428 1029 R N 0.035 120.620 120.500 0.142 0.000 2.080 1029 R HA -0.145 4.089 4.340 -0.177 0.000 0.236 1029 R C 2.149 178.560 176.300 0.185 0.000 1.137 1029 R CA 1.191 57.374 56.100 0.139 0.000 0.943 1029 R CB -0.431 29.960 30.300 0.150 0.000 0.846 1029 R HN 0.147 nan 8.270 nan 0.000 0.431 1030 F N 2.070 122.072 119.950 0.087 0.000 2.095 1030 F HA -0.238 4.201 4.527 -0.146 0.000 0.298 1030 F C 2.043 177.798 175.800 -0.074 0.000 1.104 1030 F CA 1.799 59.811 58.000 0.020 0.000 1.232 1030 F CB -0.606 38.337 39.000 -0.095 0.000 0.987 1030 F HN 0.090 nan 8.300 nan 0.000 0.475 1031 Q N -0.396 119.228 119.800 -0.294 0.000 2.170 1031 Q HA -0.200 4.034 4.340 -0.177 0.000 0.203 1031 Q C 1.741 177.596 176.000 -0.241 0.000 0.976 1031 Q CA 1.559 57.106 55.803 -0.426 0.000 0.858 1031 Q CB -0.336 28.233 28.738 -0.281 0.000 0.907 1031 Q HN 0.416 nan 8.270 nan 0.000 0.433 1032 D N 0.558 120.893 120.400 -0.109 0.000 2.117 1032 D HA -0.123 4.411 4.640 -0.177 0.000 0.198 1032 D C 2.196 178.460 176.300 -0.059 0.000 0.982 1032 D CA 1.959 55.921 54.000 -0.064 0.000 0.828 1032 D CB -0.101 40.691 40.800 -0.013 0.000 0.967 1032 D HN 0.297 nan 8.370 nan 0.000 0.464 1033 K N 0.829 121.209 120.400 -0.034 0.000 2.057 1033 K HA -0.026 4.188 4.320 -0.177 0.000 0.206 1033 K C 2.270 178.835 176.600 -0.057 0.000 1.050 1033 K CA 0.881 57.167 56.287 -0.001 0.000 0.935 1033 K CB -1.223 31.332 32.500 0.091 0.000 0.715 1033 K HN 0.184 nan 8.250 nan 0.000 0.439 1034 L N 0.237 121.356 121.223 -0.174 0.000 2.043 1034 L HA -0.247 3.987 4.340 -0.177 0.000 0.212 1034 L C 2.907 179.693 176.870 -0.140 0.000 1.075 1034 L CA 2.021 56.737 54.840 -0.207 0.000 0.752 1034 L CB -0.336 41.474 42.059 -0.414 0.000 0.891 1034 L HN 0.600 nan 8.230 nan 0.000 0.432 1035 E N 0.438 120.556 120.200 -0.137 0.000 2.023 1035 E HA -0.272 3.972 4.350 -0.177 0.000 0.196 1035 E C 1.696 178.255 176.600 -0.068 0.000 1.003 1035 E CA 1.969 58.307 56.400 -0.103 0.000 0.809 1035 E CB 0.023 29.668 29.700 -0.092 0.000 0.755 1035 E HN 0.395 nan 8.360 nan 0.000 0.449 1036 D N -0.082 120.290 120.400 -0.047 0.000 2.127 1036 D HA -0.222 4.312 4.640 -0.177 0.000 0.190 1036 D C 1.903 178.193 176.300 -0.017 0.000 1.000 1036 D CA 2.043 56.029 54.000 -0.024 0.000 0.839 1036 D CB -0.104 40.692 40.800 -0.006 0.000 0.955 1036 D HN 0.214 nan 8.370 nan 0.000 0.446 1037 I N -0.000 120.563 120.570 -0.011 0.000 2.151 1037 I HA -0.321 3.743 4.170 -0.177 0.000 0.243 1037 I C 2.479 178.590 176.117 -0.011 0.000 1.080 1037 I CA 1.057 62.361 61.300 0.006 0.000 1.339 1037 I CB -0.526 37.487 38.000 0.021 0.000 1.039 1037 I HN 0.040 nan 8.210 nan 0.000 0.409 1038 S N 0.667 116.344 115.700 -0.039 0.000 2.374 1038 S HA -0.282 4.082 4.470 -0.177 0.000 0.227 1038 S C 2.362 176.931 174.600 -0.051 0.000 1.037 1038 S CA 2.397 60.563 58.200 -0.057 0.000 1.024 1038 S CB -0.279 62.868 63.200 -0.088 0.000 0.861 1038 S HN 0.483 nan 8.310 nan 0.000 0.456 1039 K N 0.859 121.232 120.400 -0.045 0.000 1.973 1039 K HA 0.064 4.278 4.320 -0.177 0.000 0.210 1039 K C 2.434 179.018 176.600 -0.027 0.000 1.045 1039 K CA 2.150 58.414 56.287 -0.039 0.000 0.937 1039 K CB -1.913 30.566 32.500 -0.035 0.000 0.721 1039 K HN 0.640 nan 8.250 nan 0.000 0.438 1040 K N 1.022 121.413 120.400 -0.015 0.000 2.107 1040 K HA -0.092 4.122 4.320 -0.177 0.000 0.211 1040 K C 2.282 178.880 176.600 -0.003 0.000 1.049 1040 K CA 1.940 58.225 56.287 -0.003 0.000 0.927 1040 K CB -1.038 31.468 32.500 0.009 0.000 0.714 1040 K HN 0.526 nan 8.250 nan 0.000 0.452 1041 I N 0.424 120.993 120.570 -0.002 0.000 2.226 1041 I HA -0.325 3.739 4.170 -0.177 0.000 0.245 1041 I C 2.626 178.726 176.117 -0.028 0.000 1.100 1041 I CA 1.828 63.128 61.300 0.000 0.000 1.374 1041 I CB -0.115 37.890 38.000 0.008 0.000 1.057 1041 I HN 0.399 nan 8.210 nan 0.000 0.413 1042 K N 0.334 120.710 120.400 -0.040 0.000 2.057 1042 K HA -0.184 4.030 4.320 -0.177 0.000 0.206 1042 K C 2.091 178.664 176.600 -0.044 0.000 1.050 1042 K CA 1.158 57.413 56.287 -0.052 0.000 0.935 1042 K CB -0.213 32.252 32.500 -0.058 0.000 0.715 1042 K HN 0.426 nan 8.250 nan 0.000 0.439 1043 Q N 0.622 120.403 119.800 -0.032 0.000 2.077 1043 Q HA -0.195 4.039 4.340 -0.177 0.000 0.206 1043 Q C 2.299 178.283 176.000 -0.028 0.000 0.989 1043 Q CA 1.118 56.906 55.803 -0.025 0.000 0.853 1043 Q CB -0.232 28.497 28.738 -0.014 0.000 0.907 1043 Q HN 0.191 nan 8.270 nan 0.000 0.418 1044 R N 1.224 121.706 120.500 -0.031 0.000 2.112 1044 R HA -0.183 4.051 4.340 -0.177 0.000 0.242 1044 R C 1.608 177.858 176.300 -0.083 0.000 1.137 1044 R CA 1.850 57.920 56.100 -0.049 0.000 0.944 1044 R CB -0.647 29.622 30.300 -0.051 0.000 0.857 1044 R HN 0.407 nan 8.270 nan 0.000 0.435 1045 N N 0.579 119.226 118.700 -0.088 0.000 2.084 1045 N HA -0.173 4.461 4.740 -0.177 0.000 0.190 1045 N C 1.839 177.315 175.510 -0.057 0.000 1.030 1045 N CA 1.807 54.803 53.050 -0.090 0.000 0.849 1045 N CB -0.454 37.981 38.487 -0.086 0.000 1.012 1045 N HN 0.545 nan 8.380 nan 0.000 0.423 1046 E N 1.121 121.293 120.200 -0.046 0.000 2.492 1046 E HA -0.169 4.075 4.350 -0.177 0.000 0.204 1046 E C 1.293 177.881 176.600 -0.019 0.000 1.073 1046 E CA 1.206 57.587 56.400 -0.032 0.000 0.887 1046 E CB -0.865 28.818 29.700 -0.029 0.000 0.813 1046 E HN 0.407 nan 8.360 nan 0.000 0.562 1047 N N -1.329 117.360 118.700 -0.018 0.000 2.160 1047 N HA 0.158 4.792 4.740 -0.177 0.000 0.226 1047 N C -0.133 175.389 175.510 0.020 0.000 1.256 1047 N CA 0.010 53.061 53.050 0.002 0.000 0.890 1047 N CB 0.393 38.882 38.487 0.004 0.000 1.116 1047 N HN 0.488 nan 8.380 nan 0.000 0.517 1048 L N -2.187 119.043 121.223 0.013 0.000 2.409 1048 L HA 0.607 4.841 4.340 -0.177 0.000 0.262 1048 L C 0.841 177.766 176.870 0.090 0.000 0.992 1048 L CA -0.686 54.194 54.840 0.067 0.000 0.817 1048 L CB 1.962 44.050 42.059 0.047 0.000 1.350 1048 L HN -0.087 nan 8.230 nan 0.000 0.411 1049 E N 1.707 122.006 120.200 0.164 0.000 2.187 1049 E HA -0.139 4.105 4.350 -0.177 0.000 0.199 1049 E C -0.253 176.372 176.600 0.042 0.000 1.004 1049 E CA 1.571 58.055 56.400 0.140 0.000 0.813 1049 E CB 0.278 30.152 29.700 0.291 0.000 0.736 1049 E HN 0.544 nan 8.360 nan 0.000 0.468 1050 V N 2.648 122.632 119.914 0.117 0.000 2.516 1050 V HA 0.219 4.233 4.120 -0.177 0.000 0.271 1050 V C -2.449 173.723 176.094 0.129 0.000 0.992 1050 V CA -1.445 60.862 62.300 0.010 0.000 0.857 1050 V CB 1.403 33.111 31.823 -0.192 0.000 1.047 1050 V HN 0.157 nan 8.190 nan 0.000 0.455 1051 P HA -0.080 nan 4.420 nan 0.000 0.261 1051 P C -0.953 176.365 177.300 0.029 0.000 1.183 1051 P CA 0.168 63.260 63.100 -0.014 0.000 0.761 1051 P CB 0.522 32.178 31.700 -0.075 0.000 0.785 1052 Y N 5.480 125.730 120.300 -0.083 0.000 2.535 1052 Y HA 0.250 4.694 4.550 -0.178 0.000 0.349 1052 Y C 1.311 177.117 175.900 -0.157 0.000 0.992 1052 Y CA -0.556 57.529 58.100 -0.024 0.000 1.248 1052 Y CB -0.069 38.500 38.460 0.182 0.000 1.124 1052 Y HN 0.336 nan 8.280 nan 0.000 0.520 1053 I N 1.786 121.941 120.570 -0.693 0.000 4.025 1053 I HA 0.125 4.189 4.170 -0.177 0.000 0.336 1053 I C 0.014 175.784 176.117 -0.577 0.000 1.390 1053 I CA -0.103 60.872 61.300 -0.542 0.000 1.099 1053 I CB -0.154 37.606 38.000 -0.401 0.000 1.049 1053 I HN 0.434 nan 8.210 nan 0.000 0.394 1054 Y N 1.163 121.163 120.300 -0.500 0.000 2.439 1054 Y HA 0.138 4.582 4.550 -0.178 0.000 0.292 1054 Y C 1.710 177.521 175.900 -0.147 0.000 1.130 1054 Y CA 0.659 58.587 58.100 -0.286 0.000 1.254 1054 Y CB 0.020 38.304 38.460 -0.293 0.000 1.000 1054 Y HN 0.223 nan 8.280 nan 0.000 0.554 1055 L N 0.480 121.648 121.223 -0.092 0.000 2.872 1055 L HA 0.220 4.454 4.340 -0.177 0.000 0.245 1055 L C -0.429 176.466 176.870 0.042 0.000 1.211 1055 L CA -0.152 54.739 54.840 0.084 0.000 1.013 1055 L CB 0.099 42.299 42.059 0.235 0.000 1.326 1055 L HN 0.128 nan 8.230 nan 0.000 0.525 1056 L N 1.406 122.609 121.223 -0.034 0.000 2.360 1056 L HA 0.119 4.353 4.340 -0.177 0.000 0.276 1056 L C -1.045 175.797 176.870 -0.047 0.000 1.121 1056 L CA -1.454 53.351 54.840 -0.057 0.000 0.845 1056 L CB 0.964 42.952 42.059 -0.117 0.000 1.143 1056 L HN -0.099 nan 8.230 nan 0.000 0.452 1057 P HA -0.261 nan 4.420 nan 0.000 0.219 1057 P C 0.661 177.914 177.300 -0.079 0.000 1.158 1057 P CA 1.280 64.348 63.100 -0.054 0.000 0.895 1057 P CB 0.032 31.669 31.700 -0.105 0.000 0.792 1058 E N -0.220 119.856 120.200 -0.207 0.000 2.301 1058 E HA -0.046 4.198 4.350 -0.177 0.000 0.195 1058 E C 0.692 176.857 176.600 -0.725 0.000 1.171 1058 E CA 0.350 56.471 56.400 -0.464 0.000 1.142 1058 E CB -0.479 28.948 29.700 -0.455 0.000 1.218 1058 E HN 0.341 nan 8.360 nan 0.000 0.448 1059 R N 0.052 120.395 120.500 -0.262 0.000 2.532 1059 R HA 0.347 4.581 4.340 -0.177 0.000 0.312 1059 R C 0.314 176.756 176.300 0.236 0.000 0.923 1059 R CA -0.197 55.821 56.100 -0.137 0.000 1.115 1059 R CB 0.557 30.792 30.300 -0.107 0.000 1.703 1059 R HN 0.077 nan 8.270 nan 0.000 0.498 1060 I N 3.907 124.652 120.570 0.293 0.000 2.287 1060 I HA 0.277 4.341 4.170 -0.177 0.000 0.290 1060 I C -2.394 173.860 176.117 0.229 0.000 1.069 1060 I CA -2.227 59.224 61.300 0.252 0.000 1.237 1060 I CB 0.829 38.936 38.000 0.178 0.000 1.418 1060 I HN -0.386 nan 8.210 nan 0.000 0.481 1061 P HA 0.062 nan 4.420 nan 0.000 0.269 1061 P C 0.450 177.765 177.300 0.025 0.000 1.215 1061 P CA -0.148 62.873 63.100 -0.131 0.000 0.780 1061 P CB 0.565 32.294 31.700 0.049 0.000 0.898 1062 N N 0.375 119.037 118.700 -0.064 0.000 2.348 1062 N HA -0.077 4.557 4.740 -0.177 0.000 0.185 1062 N C 1.056 176.619 175.510 0.090 0.000 1.019 1062 N CA 1.277 54.303 53.050 -0.040 0.000 0.880 1062 N CB -0.061 38.290 38.487 -0.225 0.000 0.965 1062 N HN 0.553 nan 8.380 nan 0.000 0.437 1063 G N -1.763 107.084 108.800 0.078 0.000 2.846 1063 G HA2 0.329 4.183 3.960 -0.177 0.000 0.299 1063 G HA3 0.329 4.183 3.960 -0.177 0.000 0.299 1063 G C -1.355 173.571 174.900 0.043 0.000 1.242 1063 G CA -0.265 44.871 45.100 0.059 0.000 0.800 1063 G HN -0.051 nan 8.290 nan 0.000 0.538 1064 T N 1.102 115.595 114.554 -0.103 0.000 2.963 1064 T HA 0.536 4.780 4.350 -0.177 0.000 0.343 1064 T C 0.674 175.249 174.700 -0.208 0.000 1.146 1064 T CA 0.462 62.331 62.100 -0.385 0.000 1.016 1064 T CB 0.993 69.515 68.868 -0.576 0.000 1.046 1064 T HN 0.843 nan 8.240 nan 0.000 0.496 1065 A N 3.991 126.808 122.820 -0.005 0.000 2.348 1065 A HA 0.615 4.829 4.320 -0.177 0.000 0.224 1065 A C 0.541 178.310 177.584 0.308 0.000 1.227 1065 A CA 0.138 52.276 52.037 0.169 0.000 0.885 1065 A CB -0.014 19.129 19.000 0.238 0.000 0.933 1065 A HN 0.745 nan 8.150 nan 0.000 0.506 1066 I N 0.000 120.775 120.570 0.341 0.000 2.984 1066 I HA 0.000 4.064 4.170 -0.177 0.000 0.288 1066 I CA 0.000 61.571 61.300 0.451 0.000 1.566 1066 I CB 0.000 38.185 38.000 0.308 0.000 1.214 1066 I HN 0.000 nan 8.210 nan 0.000 0.494