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 1js8_1_B DATA FIRST_RESID 2503 DATA SEQUENCE AIIRKNVNSL TPSDIKELRD AMAKVQADTS DNGYQKIASY HGIPLScHYE DATA SEQUENCE NGTAYAcCQH GMVTFPNWHR LLTKQMEDAL VAKGSHVGIP YWDWTTTFAN DATA SEQUENCE LPVLVTEEKD NSFHHAHIDV ANTDTTRSPR AQLFXXXXXX XXSFFYRQIA DATA SEQUENCE LALEQTDFcD FEIQFEIGHN AIHSWVGGSS PYGMSTLHYT SYDPLFYLHH DATA SEQUENCE SNTDRIWSVW QALQKYRGLP YNTANcEINK LVKPLKPFNL DTNPNAVTKA DATA SEQUENCE HSTGATSFDY HKLGYDYDNL NFHGMTIPEL EEHLKEIQHE DRVFAGFLLR DATA SEQUENCE TIGQSADVNF DVcTKDGEcT FGGTFCILGG EHEMFWAFDR LFKYDITTSL DATA SEQUENCE KHLRLDAHDD FDIKVTIKGI DGHVLSNKYL SPPTVFLAPA 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 2503 A HA 0.000 nan 4.320 nan 0.000 0.244 2503 A C 0.000 177.615 177.584 0.052 0.000 1.274 2503 A CA 0.000 52.059 52.037 0.037 0.000 0.836 2503 A CB 0.000 19.023 19.000 0.037 0.000 0.831 2504 I N 3.281 123.892 120.570 0.068 0.000 2.474 2504 I HA 0.551 4.721 4.170 -0.001 0.000 0.287 2504 I C -0.686 175.463 176.117 0.054 0.000 1.048 2504 I CA -0.617 60.717 61.300 0.056 0.000 1.383 2504 I CB 0.358 38.386 38.000 0.047 0.000 1.412 2504 I HN 0.465 nan 8.210 nan 0.000 0.531 2505 I N 7.496 128.082 120.570 0.028 0.000 2.371 2505 I HA 0.330 4.500 4.170 -0.001 0.000 0.290 2505 I C 0.398 176.513 176.117 -0.004 0.000 1.028 2505 I CA -0.130 61.183 61.300 0.023 0.000 1.345 2505 I CB 0.752 38.775 38.000 0.038 0.000 1.407 2505 I HN 0.665 nan 8.210 nan 0.000 0.501 2506 R N 6.484 126.975 120.500 -0.015 0.000 2.255 2506 R HA 0.488 4.828 4.340 -0.001 0.000 0.326 2506 R C -0.280 176.145 176.300 0.208 0.000 0.986 2506 R CA -0.678 55.446 56.100 0.041 0.000 0.847 2506 R CB 1.571 31.837 30.300 -0.057 0.000 1.111 2506 R HN 0.604 nan 8.270 nan 0.000 0.452 2507 K N 0.749 121.178 120.400 0.048 0.000 2.378 2507 K HA 0.272 4.592 4.320 -0.001 0.000 0.244 2507 K C -0.720 175.498 176.600 -0.637 0.000 1.039 2507 K CA -1.027 55.204 56.287 -0.092 0.000 0.863 2507 K CB 1.193 33.666 32.500 -0.046 0.000 1.326 2507 K HN 0.294 nan 8.250 nan 0.000 0.460 2508 N N 0.395 118.640 118.700 -0.758 0.000 2.447 2508 N HA -0.073 4.667 4.740 -0.001 0.000 0.263 2508 N C 1.166 176.428 175.510 -0.413 0.000 1.226 2508 N CA -0.249 52.286 53.050 -0.857 0.000 0.906 2508 N CB 0.724 38.987 38.487 -0.372 0.000 1.060 2508 N HN 0.546 nan 8.380 nan 0.000 0.468 2509 V N 1.335 121.054 119.914 -0.324 0.000 2.439 2509 V HA -0.300 3.820 4.120 -0.001 0.000 0.253 2509 V C 1.546 177.561 176.094 -0.131 0.000 1.074 2509 V CA 1.989 64.182 62.300 -0.177 0.000 1.076 2509 V CB -1.008 30.749 31.823 -0.110 0.000 0.664 2509 V HN 0.874 nan 8.190 nan 0.000 0.461 2510 N N 1.181 119.822 118.700 -0.098 0.000 2.370 2510 N HA -0.007 4.733 4.740 -0.001 0.000 0.198 2510 N C 1.096 176.571 175.510 -0.059 0.000 1.156 2510 N CA 0.765 53.779 53.050 -0.060 0.000 0.839 2510 N CB -0.116 38.361 38.487 -0.017 0.000 0.989 2510 N HN 0.705 nan 8.380 nan 0.000 0.468 2511 S N -0.962 114.688 115.700 -0.083 0.000 2.650 2511 S HA 0.292 4.762 4.470 -0.001 0.000 0.240 2511 S C 0.186 174.752 174.600 -0.057 0.000 1.007 2511 S CA -0.792 57.373 58.200 -0.059 0.000 0.984 2511 S CB -0.262 62.903 63.200 -0.059 0.000 0.910 2511 S HN 0.145 nan 8.310 nan 0.000 0.509 2512 L N 3.393 124.572 121.223 -0.072 0.000 2.380 2512 L HA 0.337 4.677 4.340 -0.001 0.000 0.273 2512 L C 0.951 177.801 176.870 -0.034 0.000 1.138 2512 L CA -0.338 54.464 54.840 -0.063 0.000 0.832 2512 L CB 0.920 42.924 42.059 -0.092 0.000 1.124 2512 L HN 0.339 nan 8.230 nan 0.000 0.454 2513 T N -0.539 114.009 114.554 -0.010 0.000 2.913 2513 T HA 0.246 4.596 4.350 -0.001 0.000 0.287 2513 T C -1.917 172.789 174.700 0.010 0.000 1.008 2513 T CA -1.851 60.254 62.100 0.007 0.000 1.067 2513 T CB 1.454 70.341 68.868 0.030 0.000 0.996 2513 T HN 0.333 nan 8.240 nan 0.000 0.513 2514 P HA -0.142 nan 4.420 nan 0.000 0.218 2514 P C 1.807 179.122 177.300 0.024 0.000 1.146 2514 P CA 1.281 64.385 63.100 0.008 0.000 0.813 2514 P CB -0.046 31.657 31.700 0.005 0.000 0.778 2515 S N -1.419 114.305 115.700 0.039 0.000 2.357 2515 S HA -0.147 4.323 4.470 -0.001 0.000 0.221 2515 S C 1.746 176.422 174.600 0.126 0.000 1.031 2515 S CA 1.155 59.389 58.200 0.058 0.000 0.982 2515 S CB -1.337 61.884 63.200 0.035 0.000 0.853 2515 S HN 0.022 nan 8.310 nan 0.000 0.458 2516 D N 2.216 122.700 120.400 0.139 0.000 2.126 2516 D HA -0.092 4.548 4.640 -0.001 0.000 0.190 2516 D C 1.974 178.305 176.300 0.050 0.000 1.001 2516 D CA 1.538 55.607 54.000 0.115 0.000 0.841 2516 D CB -0.526 40.282 40.800 0.012 0.000 0.949 2516 D HN 0.447 nan 8.370 nan 0.000 0.446 2517 I N 0.662 121.238 120.570 0.011 0.000 2.163 2517 I HA -0.266 3.904 4.170 -0.001 0.000 0.243 2517 I C 2.548 178.684 176.117 0.032 0.000 1.085 2517 I CA 1.079 62.368 61.300 -0.019 0.000 1.347 2517 I CB -0.345 37.634 38.000 -0.035 0.000 1.044 2517 I HN 0.005 nan 8.210 nan 0.000 0.408 2518 K N 0.937 121.368 120.400 0.052 0.000 2.002 2518 K HA -0.198 4.122 4.320 -0.001 0.000 0.209 2518 K C 2.004 178.658 176.600 0.091 0.000 1.048 2518 K CA 1.530 57.855 56.287 0.062 0.000 0.930 2518 K CB -0.081 32.447 32.500 0.047 0.000 0.714 2518 K HN 0.275 nan 8.250 nan 0.000 0.438 2519 E N 0.958 121.236 120.200 0.130 0.000 2.118 2519 E HA -0.183 4.167 4.350 -0.001 0.000 0.195 2519 E C 2.249 178.933 176.600 0.140 0.000 0.992 2519 E CA 0.770 57.266 56.400 0.160 0.000 0.804 2519 E CB -0.253 29.642 29.700 0.324 0.000 0.741 2519 E HN 0.328 nan 8.360 nan 0.000 0.458 2520 L N 0.450 121.752 121.223 0.130 0.000 1.994 2520 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 2520 L C 2.751 179.801 176.870 0.301 0.000 1.071 2520 L CA 1.238 56.190 54.840 0.186 0.000 0.745 2520 L CB -0.262 41.867 42.059 0.117 0.000 0.892 2520 L HN 0.050 nan 8.230 nan 0.000 0.431 2521 R N -0.266 120.394 120.500 0.266 0.000 2.105 2521 R HA -0.181 4.159 4.340 -0.001 0.000 0.239 2521 R C 1.824 178.198 176.300 0.123 0.000 1.135 2521 R CA 1.574 57.832 56.100 0.264 0.000 0.967 2521 R CB -0.358 30.050 30.300 0.179 0.000 0.861 2521 R HN 0.435 nan 8.270 nan 0.000 0.442 2522 D N 0.313 120.768 120.400 0.093 0.000 2.091 2522 D HA -0.065 4.574 4.640 -0.001 0.000 0.199 2522 D C 1.864 178.183 176.300 0.032 0.000 0.980 2522 D CA 1.450 55.479 54.000 0.048 0.000 0.831 2522 D CB -0.382 40.446 40.800 0.046 0.000 0.987 2522 D HN 0.173 nan 8.370 nan 0.000 0.460 2523 A N 0.961 123.813 122.820 0.054 0.000 1.908 2523 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 2523 A C 2.152 179.732 177.584 -0.006 0.000 1.181 2523 A CA 2.154 54.211 52.037 0.033 0.000 0.627 2523 A CB -0.600 18.434 19.000 0.056 0.000 0.818 2523 A HN 0.195 nan 8.150 nan 0.000 0.445 2524 M N 0.277 119.866 119.600 -0.018 0.000 2.159 2524 M HA -0.001 4.478 4.480 -0.001 0.000 0.263 2524 M C 2.092 178.285 176.300 -0.180 0.000 1.063 2524 M CA 1.672 56.881 55.300 -0.151 0.000 1.110 2524 M CB -0.756 31.620 32.600 -0.373 0.000 1.374 2524 M HN 0.366 nan 8.290 nan 0.000 0.411 2525 A N -0.239 122.509 122.820 -0.121 0.000 1.933 2525 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 2525 A C 2.198 179.723 177.584 -0.097 0.000 1.175 2525 A CA 1.841 53.803 52.037 -0.124 0.000 0.628 2525 A CB -0.623 18.333 19.000 -0.074 0.000 0.814 2525 A HN 0.606 nan 8.150 nan 0.000 0.444 2526 K N -0.504 119.860 120.400 -0.059 0.000 2.103 2526 K HA -0.013 4.307 4.320 -0.001 0.000 0.204 2526 K C 1.813 178.390 176.600 -0.038 0.000 1.052 2526 K CA 1.203 57.467 56.287 -0.039 0.000 0.945 2526 K CB -0.227 32.263 32.500 -0.018 0.000 0.722 2526 K HN 0.305 nan 8.250 nan 0.000 0.443 2527 V N 1.744 121.632 119.914 -0.044 0.000 2.358 2527 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 2527 V C 2.177 178.267 176.094 -0.007 0.000 1.047 2527 V CA 1.629 63.920 62.300 -0.016 0.000 1.035 2527 V CB -0.416 31.404 31.823 -0.005 0.000 0.658 2527 V HN 0.341 nan 8.190 nan 0.000 0.452 2528 Q N -0.236 119.499 119.800 -0.109 0.000 2.124 2528 Q HA -0.122 4.218 4.340 -0.001 0.000 0.202 2528 Q C 2.276 178.228 176.000 -0.080 0.000 0.977 2528 Q CA 1.681 57.371 55.803 -0.188 0.000 0.850 2528 Q CB -0.285 28.213 28.738 -0.400 0.000 0.901 2528 Q HN 0.672 nan 8.270 nan 0.000 0.429 2529 A N 0.861 123.642 122.820 -0.066 0.000 2.123 2529 A HA -0.060 4.259 4.320 -0.001 0.000 0.214 2529 A C 0.619 178.196 177.584 -0.011 0.000 1.152 2529 A CA 0.041 52.055 52.037 -0.039 0.000 0.728 2529 A CB 0.041 19.013 19.000 -0.046 0.000 0.814 2529 A HN 0.178 nan 8.150 nan 0.000 0.464 2530 D N 0.765 121.163 120.400 -0.002 0.000 2.417 2530 D HA 0.128 4.768 4.640 -0.001 0.000 0.250 2530 D C 0.813 177.128 176.300 0.024 0.000 1.166 2530 D CA 0.829 54.834 54.000 0.009 0.000 0.881 2530 D CB 0.935 41.740 40.800 0.007 0.000 1.164 2530 D HN 0.188 nan 8.370 nan 0.000 0.467 2531 T N 0.214 114.780 114.554 0.021 0.000 3.163 2531 T HA 0.103 4.452 4.350 -0.001 0.000 0.252 2531 T C 1.040 175.756 174.700 0.027 0.000 1.056 2531 T CA -0.403 61.714 62.100 0.029 0.000 0.947 2531 T CB -0.310 68.573 68.868 0.026 0.000 1.016 2531 T HN 0.355 nan 8.240 nan 0.000 0.554 2532 S N 0.973 116.685 115.700 0.020 0.000 2.655 2532 S HA 0.230 4.700 4.470 -0.001 0.000 0.265 2532 S C 0.524 175.135 174.600 0.017 0.000 1.240 2532 S CA -0.604 57.607 58.200 0.018 0.000 0.986 2532 S CB 0.681 63.888 63.200 0.012 0.000 0.985 2532 S HN -0.011 nan 8.310 nan 0.000 0.562 2533 D N 0.327 120.739 120.400 0.019 0.000 2.392 2533 D HA 0.017 4.657 4.640 -0.001 0.000 0.228 2533 D C 0.480 176.776 176.300 -0.006 0.000 1.003 2533 D CA 0.676 54.690 54.000 0.022 0.000 0.917 2533 D CB -0.379 40.444 40.800 0.038 0.000 0.890 2533 D HN 0.555 nan 8.370 nan 0.000 0.532 2534 N N -0.105 118.585 118.700 -0.016 0.000 2.291 2534 N HA 0.102 4.841 4.740 -0.001 0.000 0.244 2534 N C 0.257 175.739 175.510 -0.046 0.000 1.216 2534 N CA -0.121 52.904 53.050 -0.042 0.000 0.879 2534 N CB 1.041 39.516 38.487 -0.020 0.000 1.167 2534 N HN 0.002 nan 8.380 nan 0.000 0.515 2535 G N -0.722 108.062 108.800 -0.026 0.000 2.511 2535 G HA2 0.156 4.115 3.960 -0.001 0.000 0.316 2535 G HA3 0.156 4.115 3.960 -0.001 0.000 0.316 2535 G C 0.382 175.293 174.900 0.020 0.000 1.210 2535 G CA -0.372 44.734 45.100 0.011 0.000 0.969 2535 G HN 0.152 nan 8.290 nan 0.000 0.492 2536 Y N -0.063 120.190 120.300 -0.078 0.000 2.040 2536 Y HA -0.266 4.284 4.550 -0.001 0.000 0.275 2536 Y C 3.188 179.074 175.900 -0.024 0.000 1.171 2536 Y CA 2.637 60.690 58.100 -0.077 0.000 1.123 2536 Y CB 0.120 38.554 38.460 -0.043 0.000 0.963 2536 Y HN 0.401 nan 8.280 nan 0.000 0.493 2537 Q N -0.025 119.939 119.800 0.275 0.000 2.152 2537 Q HA -0.247 4.092 4.340 -0.001 0.000 0.206 2537 Q C 2.188 178.247 176.000 0.099 0.000 0.985 2537 Q CA 1.878 57.836 55.803 0.258 0.000 0.863 2537 Q CB -0.436 28.451 28.738 0.248 0.000 0.904 2537 Q HN 0.309 nan 8.270 nan 0.000 0.422 2538 K N 0.841 121.256 120.400 0.026 0.000 2.103 2538 K HA 0.019 4.338 4.320 -0.001 0.000 0.204 2538 K C 1.939 178.425 176.600 -0.191 0.000 1.052 2538 K CA 0.757 57.033 56.287 -0.017 0.000 0.945 2538 K CB -0.145 32.350 32.500 -0.009 0.000 0.722 2538 K HN 0.172 nan 8.250 nan 0.000 0.443 2539 I N -0.093 120.267 120.570 -0.350 0.000 2.333 2539 I HA -0.108 4.062 4.170 -0.001 0.000 0.246 2539 I C 2.187 178.027 176.117 -0.461 0.000 1.106 2539 I CA 0.882 61.798 61.300 -0.640 0.000 1.411 2539 I CB -0.426 37.260 38.000 -0.523 0.000 1.082 2539 I HN 0.125 nan 8.210 nan 0.000 0.420 2540 A N 0.500 123.052 122.820 -0.447 0.000 1.940 2540 A HA -0.207 4.113 4.320 -0.001 0.000 0.219 2540 A C 2.446 179.788 177.584 -0.403 0.000 1.176 2540 A CA 2.136 53.824 52.037 -0.582 0.000 0.631 2540 A CB -0.740 17.643 19.000 -1.029 0.000 0.814 2540 A HN 0.377 nan 8.150 nan 0.000 0.446 2541 S N -1.213 114.385 115.700 -0.169 0.000 2.440 2541 S HA -0.136 4.334 4.470 -0.001 0.000 0.238 2541 S C 1.630 176.331 174.600 0.170 0.000 1.010 2541 S CA 1.057 59.283 58.200 0.044 0.000 0.972 2541 S CB -0.514 62.760 63.200 0.123 0.000 0.774 2541 S HN 0.645 nan 8.310 nan 0.000 0.501 2542 Y N 1.001 121.272 120.300 -0.047 0.000 2.333 2542 Y HA -0.111 4.439 4.550 -0.001 0.000 0.290 2542 Y C 2.425 178.448 175.900 0.206 0.000 1.144 2542 Y CA 0.592 58.698 58.100 0.010 0.000 1.228 2542 Y CB -0.872 37.552 38.460 -0.060 0.000 0.985 2542 Y HN 0.468 nan 8.280 nan 0.000 0.542 2543 H N -0.945 118.283 119.070 0.263 0.000 2.276 2543 H HA 0.033 4.589 4.556 -0.001 0.000 0.307 2543 H C 1.783 177.145 175.328 0.057 0.000 1.061 2543 H CA 1.618 57.790 56.048 0.206 0.000 1.336 2543 H CB -0.073 29.760 29.762 0.118 0.000 1.396 2543 H HN 0.320 nan 8.280 nan 0.000 0.503 2544 G N 0.713 109.598 108.800 0.143 0.000 2.667 2544 G HA2 0.278 4.238 3.960 -0.001 0.000 0.209 2544 G HA3 0.278 4.238 3.960 -0.001 0.000 0.209 2544 G C -0.105 174.770 174.900 -0.042 0.000 1.963 2544 G CA 0.299 45.431 45.100 0.053 0.000 0.728 2544 G HN 0.389 nan 8.290 nan 0.000 0.807 2545 I N 0.739 121.263 120.570 -0.076 0.000 2.498 2545 I HA 0.582 4.752 4.170 -0.001 0.000 0.301 2545 I C -2.538 173.646 176.117 0.112 0.000 0.984 2545 I CA -2.862 58.375 61.300 -0.105 0.000 1.204 2545 I CB 1.875 39.709 38.000 -0.276 0.000 1.362 2545 I HN 0.085 nan 8.210 nan 0.000 0.471 2546 P HA 0.145 nan 4.420 nan 0.000 0.271 2546 P C -0.507 176.747 177.300 -0.078 0.000 1.220 2546 P CA -0.141 62.951 63.100 -0.013 0.000 0.768 2546 P CB 0.641 32.355 31.700 0.025 0.000 0.848 2547 L N 2.653 123.777 121.223 -0.164 0.000 2.628 2547 L HA -0.044 4.296 4.340 -0.001 0.000 0.274 2547 L C 1.228 177.930 176.870 -0.280 0.000 1.209 2547 L CA 0.589 55.278 54.840 -0.252 0.000 0.930 2547 L CB -0.490 41.379 42.059 -0.316 0.000 1.183 2547 L HN 0.437 nan 8.230 nan 0.000 0.492 2548 S N 0.733 116.233 115.700 -0.334 0.000 2.559 2548 S HA 0.175 4.644 4.470 -0.001 0.000 0.226 2548 S C 0.039 174.344 174.600 -0.492 0.000 1.000 2548 S CA -0.449 57.565 58.200 -0.309 0.000 0.948 2548 S CB 0.302 63.375 63.200 -0.211 0.000 0.870 2548 S HN 0.619 nan 8.310 nan 0.000 0.497 2549 c N 1.916 119.994 118.600 -0.869 0.000 2.561 2549 c HA 0.719 5.289 4.570 -0.001 0.000 0.319 2549 c C -0.449 172.753 174.090 -1.481 0.000 1.198 2549 c CA -0.747 54.935 56.329 -1.079 0.000 1.665 2549 c CB 0.785 42.492 42.510 -1.339 0.000 2.258 2549 c HN 0.543 nan 8.230 nan 0.000 0.493 2550 H N 0.005 118.734 119.070 -0.567 0.000 2.717 2550 H HA 0.521 5.076 4.556 -0.001 0.000 0.366 2550 H C -0.977 174.332 175.328 -0.031 0.000 1.132 2550 H CA -0.318 55.562 56.048 -0.281 0.000 1.180 2550 H CB 0.792 30.475 29.762 -0.131 0.000 1.678 2550 H HN 0.530 nan 8.280 nan 0.000 0.537 2551 Y N 1.118 121.609 120.300 0.318 0.000 2.281 2551 Y HA -0.007 4.543 4.550 -0.001 0.000 0.337 2551 Y C 1.826 177.825 175.900 0.165 0.000 1.304 2551 Y CA -0.259 57.992 58.100 0.252 0.000 1.465 2551 Y CB 0.678 39.247 38.460 0.182 0.000 1.350 2551 Y HN 0.678 nan 8.280 nan 0.000 0.575 2552 E N 0.900 121.282 120.200 0.303 0.000 2.171 2552 E HA -0.211 4.138 4.350 -0.001 0.000 0.197 2552 E C 1.172 177.859 176.600 0.145 0.000 0.997 2552 E CA 1.425 57.928 56.400 0.173 0.000 0.810 2552 E CB -0.443 29.330 29.700 0.122 0.000 0.738 2552 E HN 0.670 nan 8.360 nan 0.000 0.467 2553 N N -0.269 118.534 118.700 0.172 0.000 2.434 2553 N HA 0.022 4.761 4.740 -0.001 0.000 0.196 2553 N C 1.155 176.747 175.510 0.137 0.000 1.183 2553 N CA 0.889 54.014 53.050 0.125 0.000 0.849 2553 N CB 0.168 38.712 38.487 0.095 0.000 0.992 2553 N HN 0.152 nan 8.380 nan 0.000 0.460 2554 G N -1.274 107.629 108.800 0.171 0.000 2.179 2554 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.260 2554 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.260 2554 G C 0.060 175.098 174.900 0.230 0.000 0.977 2554 G CA 0.608 45.797 45.100 0.149 0.000 0.641 2554 G HN 0.487 nan 8.290 nan 0.000 0.533 2555 T N 1.495 116.222 114.554 0.289 0.000 2.884 2555 T HA 0.608 4.958 4.350 -0.001 0.000 0.298 2555 T C 0.731 175.584 174.700 0.255 0.000 0.998 2555 T CA 0.516 62.800 62.100 0.305 0.000 1.124 2555 T CB 1.633 70.720 68.868 0.365 0.000 0.931 2555 T HN 1.269 nan 8.240 nan 0.000 0.531 2556 A N 2.782 125.647 122.820 0.074 0.000 2.279 2556 A HA 0.784 5.104 4.320 -0.001 0.000 0.303 2556 A C -0.814 176.665 177.584 -0.175 0.000 1.108 2556 A CA -0.698 51.169 52.037 -0.283 0.000 0.830 2556 A CB 0.321 19.118 19.000 -0.338 0.000 1.106 2556 A HN 0.930 nan 8.150 nan 0.000 0.493 2557 Y N -2.345 117.696 120.300 -0.430 0.000 2.581 2557 Y HA 0.677 5.226 4.550 -0.001 0.000 0.337 2557 Y C -0.137 175.604 175.900 -0.265 0.000 1.108 2557 Y CA -1.051 56.887 58.100 -0.271 0.000 1.033 2557 Y CB 0.778 39.029 38.460 -0.348 0.000 1.318 2557 Y HN 0.957 nan 8.280 nan 0.000 0.459 2558 A N 1.008 123.844 122.820 0.028 0.000 2.524 2558 A HA 0.267 4.587 4.320 -0.001 0.000 0.250 2558 A C 0.696 178.232 177.584 -0.081 0.000 1.078 2558 A CA 0.062 52.054 52.037 -0.074 0.000 0.761 2558 A CB -0.458 18.538 19.000 -0.007 0.000 1.012 2558 A HN 1.063 nan 8.150 nan 0.000 0.500 2559 c N 1.847 120.308 118.600 -0.232 0.000 2.432 2559 c HA -0.041 4.529 4.570 -0.001 0.000 0.280 2559 c C 1.713 175.458 174.090 -0.575 0.000 1.353 2559 c CA 0.131 56.316 56.329 -0.240 0.000 1.766 2559 c CB -2.222 40.209 42.510 -0.131 0.000 1.924 2559 c HN 0.934 nan 8.230 nan 0.000 0.509 2560 C N 2.323 121.103 119.300 -0.866 0.000 2.596 2560 C HA 0.297 4.756 4.460 -0.001 0.000 0.414 2560 C C 0.071 174.427 174.990 -1.058 0.000 1.396 2560 C CA -0.368 57.662 59.018 -1.647 0.000 1.698 2560 C CB -0.912 26.123 27.740 -1.175 0.000 2.572 2560 C HN 0.578 nan 8.230 nan 0.000 0.604 2561 Q N 2.714 121.729 119.800 -1.308 0.000 2.322 2561 Q HA 0.438 4.777 4.340 -0.001 0.000 0.256 2561 Q C -0.614 175.137 176.000 -0.415 0.000 0.960 2561 Q CA 0.346 55.814 55.803 -0.560 0.000 0.934 2561 Q CB 0.739 29.289 28.738 -0.315 0.000 1.200 2561 Q HN 0.914 nan 8.270 nan 0.000 0.435 2562 H N -0.399 118.538 119.070 -0.222 0.000 2.865 2562 H HA 0.450 5.006 4.556 -0.001 0.000 0.372 2562 H C 0.555 175.372 175.328 -0.852 0.000 1.173 2562 H CA -0.243 55.564 56.048 -0.402 0.000 1.147 2562 H CB 1.942 31.400 29.762 -0.507 0.000 1.805 2562 H HN 0.745 nan 8.280 nan 0.000 0.553 2563 G N 1.128 109.285 108.800 -1.072 0.000 2.198 2563 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.260 2563 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.260 2563 G C -0.111 174.233 174.900 -0.926 0.000 1.025 2563 G CA 0.787 44.877 45.100 -1.683 0.000 0.769 2563 G HN 0.622 nan 8.290 nan 0.000 0.507 2564 M N -2.669 116.686 119.600 -0.408 0.000 2.578 2564 M HA 0.588 5.068 4.480 -0.001 0.000 0.276 2564 M C 1.058 177.387 176.300 0.048 0.000 1.245 2564 M CA -0.567 54.671 55.300 -0.102 0.000 0.871 2564 M CB 1.526 34.099 32.600 -0.044 0.000 1.722 2564 M HN 0.648 nan 8.290 nan 0.000 0.473 2565 V N -0.693 119.287 119.914 0.109 0.000 3.026 2565 V HA -0.102 4.018 4.120 -0.001 0.000 0.265 2565 V C 1.331 177.557 176.094 0.219 0.000 1.121 2565 V CA 2.448 64.832 62.300 0.140 0.000 1.142 2565 V CB -1.254 30.697 31.823 0.215 0.000 0.730 2565 V HN 1.054 nan 8.190 nan 0.000 0.503 2566 T N -3.564 111.099 114.554 0.182 0.000 3.145 2566 T HA 0.175 4.525 4.350 -0.001 0.000 0.255 2566 T C 1.187 175.991 174.700 0.175 0.000 1.039 2566 T CA 0.489 62.695 62.100 0.177 0.000 0.928 2566 T CB -0.339 68.638 68.868 0.181 0.000 1.029 2566 T HN 0.587 nan 8.240 nan 0.000 0.554 2567 F N 3.619 123.576 119.950 0.012 0.000 2.095 2567 F HA 0.089 4.616 4.527 -0.001 0.000 0.298 2567 F C -1.186 174.692 175.800 0.128 0.000 1.104 2567 F CA 0.597 58.610 58.000 0.021 0.000 1.232 2567 F CB -1.119 37.773 39.000 -0.179 0.000 0.987 2567 F HN 0.122 nan 8.300 nan 0.000 0.475 2568 P HA -0.175 nan 4.420 nan 0.000 0.215 2568 P C 1.002 178.243 177.300 -0.098 0.000 1.157 2568 P CA 2.170 65.062 63.100 -0.347 0.000 0.868 2568 P CB -0.222 30.937 31.700 -0.901 0.000 0.788 2569 N N -1.593 117.071 118.700 -0.059 0.000 2.043 2569 N HA -0.217 4.522 4.740 -0.001 0.000 0.193 2569 N C 1.826 177.383 175.510 0.078 0.000 1.037 2569 N CA 1.326 54.457 53.050 0.134 0.000 0.851 2569 N CB -0.885 37.626 38.487 0.041 0.000 1.027 2569 N HN 0.203 nan 8.380 nan 0.000 0.422 2570 W N 1.906 123.165 121.300 -0.068 0.000 2.335 2570 W HA -0.194 4.466 4.660 -0.001 0.000 0.311 2570 W C 2.102 178.475 176.519 -0.243 0.000 1.213 2570 W CA 1.682 58.952 57.345 -0.126 0.000 1.274 2570 W CB -0.400 28.975 29.460 -0.142 0.000 1.148 2570 W HN 0.247 nan 8.180 nan 0.000 0.498 2571 H N -1.112 117.987 119.070 0.048 0.000 2.524 2571 H HA -0.002 4.554 4.556 -0.001 0.000 0.282 2571 H C 2.069 177.337 175.328 -0.101 0.000 1.016 2571 H CA 1.643 57.646 56.048 -0.074 0.000 1.270 2571 H CB -0.313 29.266 29.762 -0.305 0.000 1.394 2571 H HN 0.165 nan 8.280 nan 0.000 0.568 2572 R N 0.815 121.357 120.500 0.070 0.000 2.075 2572 R HA -0.070 4.270 4.340 -0.001 0.000 0.232 2572 R C 1.559 177.801 176.300 -0.097 0.000 1.126 2572 R CA 1.115 57.286 56.100 0.118 0.000 0.963 2572 R CB -0.222 30.248 30.300 0.284 0.000 0.858 2572 R HN 0.301 nan 8.270 nan 0.000 0.435 2573 L N 0.660 121.666 121.223 -0.361 0.000 2.093 2573 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 2573 L C 2.433 178.852 176.870 -0.752 0.000 1.085 2573 L CA 0.497 54.904 54.840 -0.721 0.000 0.755 2573 L CB -0.415 40.845 42.059 -1.332 0.000 0.904 2573 L HN 0.282 nan 8.230 nan 0.000 0.435 2574 L N -0.505 120.356 121.223 -0.602 0.000 2.109 2574 L HA -0.117 4.222 4.340 -0.001 0.000 0.207 2574 L C 2.364 179.257 176.870 0.039 0.000 1.086 2574 L CA 1.840 56.597 54.840 -0.139 0.000 0.760 2574 L CB -0.552 41.488 42.059 -0.032 0.000 0.910 2574 L HN 0.090 nan 8.230 nan 0.000 0.437 2575 T N -0.794 113.784 114.554 0.040 0.000 2.904 2575 T HA -0.155 4.194 4.350 -0.001 0.000 0.267 2575 T C 1.802 176.487 174.700 -0.025 0.000 1.059 2575 T CA 1.471 63.646 62.100 0.124 0.000 1.137 2575 T CB -0.111 68.828 68.868 0.117 0.000 0.879 2575 T HN 0.218 nan 8.240 nan 0.000 0.467 2576 K N 1.524 121.863 120.400 -0.101 0.000 2.103 2576 K HA -0.036 4.284 4.320 -0.001 0.000 0.204 2576 K C 2.308 178.867 176.600 -0.068 0.000 1.052 2576 K CA 1.271 57.492 56.287 -0.109 0.000 0.945 2576 K CB -0.368 32.102 32.500 -0.050 0.000 0.722 2576 K HN 0.128 nan 8.250 nan 0.000 0.443 2577 Q N -0.008 119.756 119.800 -0.060 0.000 2.030 2577 Q HA -0.132 4.207 4.340 -0.001 0.000 0.204 2577 Q C 2.052 177.997 176.000 -0.092 0.000 0.986 2577 Q CA 2.317 58.102 55.803 -0.030 0.000 0.843 2577 Q CB -0.349 28.418 28.738 0.049 0.000 0.904 2577 Q HN 0.422 nan 8.270 nan 0.000 0.420 2578 M N 0.248 119.770 119.600 -0.130 0.000 2.175 2578 M HA -0.107 4.373 4.480 -0.001 0.000 0.264 2578 M C 1.734 177.938 176.300 -0.160 0.000 1.063 2578 M CA 1.820 56.974 55.300 -0.243 0.000 1.119 2578 M CB -0.332 31.970 32.600 -0.497 0.000 1.377 2578 M HN 0.367 nan 8.290 nan 0.000 0.415 2579 E N -0.269 119.869 120.200 -0.103 0.000 2.017 2579 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 2579 E C 1.514 178.084 176.600 -0.051 0.000 0.997 2579 E CA 1.785 58.141 56.400 -0.074 0.000 0.804 2579 E CB -0.131 29.508 29.700 -0.102 0.000 0.757 2579 E HN 0.463 nan 8.360 nan 0.000 0.448 2580 D N 0.017 120.393 120.400 -0.041 0.000 2.158 2580 D HA -0.191 4.449 4.640 -0.001 0.000 0.197 2580 D C 1.720 178.007 176.300 -0.021 0.000 0.995 2580 D CA 1.412 55.402 54.000 -0.017 0.000 0.846 2580 D CB -0.329 40.469 40.800 -0.004 0.000 0.941 2580 D HN 0.320 nan 8.370 nan 0.000 0.456 2581 A N -0.039 122.754 122.820 -0.045 0.000 1.969 2581 A HA -0.074 4.246 4.320 -0.001 0.000 0.218 2581 A C 2.337 179.902 177.584 -0.032 0.000 1.169 2581 A CA 0.753 52.763 52.037 -0.045 0.000 0.635 2581 A CB -0.498 18.455 19.000 -0.079 0.000 0.810 2581 A HN 0.222 nan 8.150 nan 0.000 0.445 2582 L N -1.060 120.143 121.223 -0.033 0.000 2.095 2582 L HA -0.080 4.259 4.340 -0.001 0.000 0.204 2582 L C 2.466 179.342 176.870 0.010 0.000 1.080 2582 L CA 0.655 55.490 54.840 -0.009 0.000 0.759 2582 L CB -0.442 41.617 42.059 0.001 0.000 0.914 2582 L HN 0.204 nan 8.230 nan 0.000 0.439 2583 V N 0.241 120.159 119.914 0.007 0.000 2.407 2583 V HA -0.292 3.828 4.120 -0.001 0.000 0.248 2583 V C 2.710 178.819 176.094 0.024 0.000 1.055 2583 V CA 1.815 64.128 62.300 0.020 0.000 1.049 2583 V CB -0.700 31.134 31.823 0.017 0.000 0.662 2583 V HN 0.477 nan 8.190 nan 0.000 0.455 2584 A N -0.838 121.990 122.820 0.013 0.000 1.969 2584 A HA -0.131 4.189 4.320 -0.001 0.000 0.218 2584 A C 1.902 179.495 177.584 0.015 0.000 1.169 2584 A CA 1.210 53.255 52.037 0.013 0.000 0.635 2584 A CB -0.247 18.757 19.000 0.006 0.000 0.810 2584 A HN 0.371 nan 8.150 nan 0.000 0.445 2585 K N -0.620 119.788 120.400 0.013 0.000 2.551 2585 K HA 0.226 4.546 4.320 -0.001 0.000 0.204 2585 K C 0.928 177.545 176.600 0.028 0.000 1.033 2585 K CA 0.575 56.870 56.287 0.014 0.000 1.187 2585 K CB -0.455 32.048 32.500 0.005 0.000 0.900 2585 K HN 0.758 nan 8.250 nan 0.000 0.499 2586 G N 0.215 109.038 108.800 0.038 0.000 2.176 2586 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.232 2586 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.232 2586 G C 0.213 175.173 174.900 0.101 0.000 0.986 2586 G CA 0.241 45.376 45.100 0.058 0.000 0.643 2586 G HN 0.306 nan 8.290 nan 0.000 0.522 2587 S N 0.857 116.610 115.700 0.089 0.000 2.548 2587 S HA 0.483 4.953 4.470 -0.001 0.000 0.277 2587 S C 1.542 176.210 174.600 0.114 0.000 1.315 2587 S CA 0.326 58.589 58.200 0.104 0.000 1.050 2587 S CB 0.304 63.528 63.200 0.040 0.000 0.918 2587 S HN 0.578 nan 8.310 nan 0.000 0.497 2588 H N 2.862 121.946 119.070 0.023 0.000 2.622 2588 H HA 0.382 4.937 4.556 -0.001 0.000 0.269 2588 H C 0.263 175.604 175.328 0.021 0.000 0.977 2588 H CA -0.110 55.949 56.048 0.020 0.000 1.179 2588 H CB -0.347 29.425 29.762 0.016 0.000 1.458 2588 H HN 0.296 nan 8.280 nan 0.000 0.531 2589 V N 1.063 120.751 119.914 -0.377 0.000 2.864 2589 V HA 0.641 4.761 4.120 -0.001 0.000 0.314 2589 V C 0.502 176.520 176.094 -0.127 0.000 1.073 2589 V CA -0.391 61.743 62.300 -0.278 0.000 0.956 2589 V CB 1.978 33.543 31.823 -0.430 0.000 1.023 2589 V HN 0.560 nan 8.190 nan 0.000 0.435 2590 G N 3.478 112.232 108.800 -0.077 0.000 2.588 2590 G HA2 0.439 4.398 3.960 -0.001 0.000 0.281 2590 G HA3 0.439 4.398 3.960 -0.001 0.000 0.281 2590 G C -0.126 174.758 174.900 -0.026 0.000 1.236 2590 G CA -0.849 44.219 45.100 -0.054 0.000 0.969 2590 G HN 0.749 nan 8.290 nan 0.000 0.504 2591 I N 2.747 123.315 120.570 -0.004 0.000 2.662 2591 I HA 0.085 4.255 4.170 -0.001 0.000 0.285 2591 I C -1.481 174.690 176.117 0.090 0.000 1.161 2591 I CA -1.072 60.278 61.300 0.084 0.000 1.415 2591 I CB 0.829 38.910 38.000 0.135 0.000 1.385 2591 I HN 0.271 nan 8.210 nan 0.000 0.552 2592 P HA 0.080 nan 4.420 nan 0.000 0.274 2592 P C -1.426 175.959 177.300 0.142 0.000 1.246 2592 P CA -0.100 63.011 63.100 0.017 0.000 0.795 2592 P CB 0.591 32.233 31.700 -0.097 0.000 1.006 2593 Y N -1.474 118.910 120.300 0.140 0.000 2.352 2593 Y HA 0.566 5.116 4.550 -0.001 0.000 0.339 2593 Y C -0.824 175.190 175.900 0.189 0.000 0.992 2593 Y CA -1.710 56.491 58.100 0.168 0.000 1.100 2593 Y CB 0.717 39.265 38.460 0.146 0.000 1.192 2593 Y HN 0.370 nan 8.280 nan 0.000 0.458 2594 W N 6.505 127.905 121.300 0.167 0.000 2.367 2594 W HA 0.304 4.963 4.660 -0.001 0.000 0.329 2594 W C -0.429 176.127 176.519 0.061 0.000 1.066 2594 W CA -1.511 55.875 57.345 0.069 0.000 1.435 2594 W CB 0.474 29.970 29.460 0.061 0.000 1.296 2594 W HN 0.730 nan 8.180 nan 0.000 0.401 2595 D N 6.860 127.288 120.400 0.047 0.000 2.540 2595 D HA -0.105 4.535 4.640 -0.001 0.000 0.237 2595 D C 1.446 177.454 176.300 -0.486 0.000 1.181 2595 D CA -0.128 53.745 54.000 -0.212 0.000 1.119 2595 D CB -0.254 40.550 40.800 0.006 0.000 1.119 2595 D HN 0.612 nan 8.370 nan 0.000 0.498 2596 W N 2.387 123.238 121.300 -0.749 0.000 2.961 2596 W HA -0.035 4.625 4.660 -0.001 0.000 0.240 2596 W C 0.767 177.176 176.519 -0.183 0.000 1.305 2596 W CA 0.623 57.437 57.345 -0.886 0.000 1.465 2596 W CB -1.329 27.173 29.460 -1.598 0.000 1.135 2596 W HN 0.281 nan 8.180 nan 0.000 0.688 2597 T N -1.904 112.635 114.554 -0.024 0.000 3.113 2597 T HA 0.033 4.383 4.350 -0.001 0.000 0.256 2597 T C 0.670 175.679 174.700 0.515 0.000 1.131 2597 T CA 0.413 62.735 62.100 0.369 0.000 1.074 2597 T CB -0.288 68.756 68.868 0.293 0.000 0.944 2597 T HN -0.136 nan 8.240 nan 0.000 0.516 2598 T N 3.381 118.101 114.554 0.277 0.000 2.837 2598 T HA 0.398 4.747 4.350 -0.001 0.000 0.285 2598 T C -0.025 174.893 174.700 0.362 0.000 0.984 2598 T CA -0.451 61.743 62.100 0.157 0.000 1.049 2598 T CB 1.233 70.036 68.868 -0.108 0.000 0.947 2598 T HN 0.322 nan 8.240 nan 0.000 0.472 2599 T N 4.875 119.600 114.554 0.285 0.000 2.905 2599 T HA 0.299 4.649 4.350 -0.001 0.000 0.299 2599 T C -0.202 174.713 174.700 0.358 0.000 1.024 2599 T CA 0.127 62.380 62.100 0.256 0.000 1.151 2599 T CB -0.598 68.368 68.868 0.163 0.000 0.987 2599 T HN 0.510 nan 8.240 nan 0.000 0.535 2600 F N -1.092 119.054 119.950 0.327 0.000 2.591 2600 F HA 0.738 5.265 4.527 -0.001 0.000 0.309 2600 F C 0.226 176.278 175.800 0.420 0.000 1.098 2600 F CA -1.673 56.546 58.000 0.364 0.000 0.937 2600 F CB 1.192 40.491 39.000 0.499 0.000 1.250 2600 F HN 0.485 nan 8.300 nan 0.000 0.447 2601 A N 2.266 125.335 122.820 0.415 0.000 2.267 2601 A HA 0.421 4.740 4.320 -0.001 0.000 0.213 2601 A C -0.311 177.277 177.584 0.006 0.000 1.192 2601 A CA 0.514 52.670 52.037 0.197 0.000 0.851 2601 A CB -0.857 18.185 19.000 0.070 0.000 0.881 2601 A HN 0.870 nan 8.150 nan 0.000 0.494 2602 N N -1.916 116.989 118.700 0.342 0.000 2.859 2602 N HA 0.399 5.139 4.740 -0.001 0.000 0.250 2602 N C -1.050 174.690 175.510 0.382 0.000 1.341 2602 N CA -0.771 52.385 53.050 0.177 0.000 0.881 2602 N CB 0.297 38.764 38.487 -0.033 0.000 1.516 2602 N HN -0.038 nan 8.380 nan 0.000 0.503 2603 L N 0.330 121.691 121.223 0.230 0.000 2.483 2603 L HA 0.306 4.646 4.340 -0.001 0.000 0.276 2603 L C -1.654 175.043 176.870 -0.288 0.000 1.213 2603 L CA -1.345 53.380 54.840 -0.193 0.000 0.843 2603 L CB -0.046 41.903 42.059 -0.183 0.000 1.107 2603 L HN 0.475 nan 8.230 nan 0.000 0.487 2604 P HA -0.029 nan 4.420 nan 0.000 0.265 2604 P C 0.975 178.148 177.300 -0.212 0.000 1.193 2604 P CA -0.163 62.723 63.100 -0.356 0.000 0.765 2604 P CB 0.783 32.193 31.700 -0.482 0.000 0.823 2605 V N 3.424 123.265 119.914 -0.121 0.000 2.370 2605 V HA -0.274 3.846 4.120 -0.001 0.000 0.252 2605 V C 2.510 178.563 176.094 -0.070 0.000 1.068 2605 V CA 1.870 64.129 62.300 -0.069 0.000 1.061 2605 V CB -1.310 30.486 31.823 -0.046 0.000 0.656 2605 V HN 0.484 nan 8.190 nan 0.000 0.455 2606 L N 1.200 122.348 121.223 -0.125 0.000 2.051 2606 L HA -0.183 4.157 4.340 -0.001 0.000 0.214 2606 L C 2.296 179.122 176.870 -0.074 0.000 1.076 2606 L CA 2.755 57.500 54.840 -0.158 0.000 0.758 2606 L CB -0.500 41.377 42.059 -0.303 0.000 0.890 2606 L HN 0.400 nan 8.230 nan 0.000 0.433 2607 V N -4.859 115.014 119.914 -0.067 0.000 3.590 2607 V HA 0.089 4.208 4.120 -0.001 0.000 0.265 2607 V C 1.933 178.067 176.094 0.066 0.000 1.239 2607 V CA 0.944 63.267 62.300 0.038 0.000 1.117 2607 V CB -0.987 30.825 31.823 -0.019 0.000 0.818 2607 V HN 0.598 nan 8.190 nan 0.000 0.451 2608 T N -2.268 112.316 114.554 0.050 0.000 3.051 2608 T HA 0.185 4.534 4.350 -0.001 0.000 0.255 2608 T C 0.685 175.517 174.700 0.220 0.000 1.085 2608 T CA 0.070 62.239 62.100 0.115 0.000 1.109 2608 T CB -0.418 68.471 68.868 0.035 0.000 0.921 2608 T HN 0.589 nan 8.240 nan 0.000 0.488 2609 E N 1.859 122.149 120.200 0.150 0.000 2.417 2609 E HA 0.049 4.398 4.350 -0.001 0.000 0.261 2609 E C 0.734 177.386 176.600 0.086 0.000 1.000 2609 E CA -0.060 56.399 56.400 0.099 0.000 0.919 2609 E CB 0.696 30.428 29.700 0.054 0.000 0.955 2609 E HN 0.554 nan 8.360 nan 0.000 0.455 2610 E N 3.091 123.262 120.200 -0.047 0.000 2.112 2610 E HA -0.063 4.286 4.350 -0.001 0.000 0.190 2610 E C -0.147 176.333 176.600 -0.199 0.000 0.979 2610 E CA 0.726 56.933 56.400 -0.323 0.000 0.814 2610 E CB 0.160 29.717 29.700 -0.240 0.000 0.762 2610 E HN 0.293 nan 8.360 nan 0.000 0.460 2611 K N 1.938 122.289 120.400 -0.082 0.000 2.312 2611 K HA 0.066 4.386 4.320 -0.001 0.000 0.287 2611 K C -0.924 175.665 176.600 -0.018 0.000 1.062 2611 K CA -0.070 56.190 56.287 -0.045 0.000 0.934 2611 K CB 0.704 33.187 32.500 -0.029 0.000 1.027 2611 K HN -0.073 nan 8.250 nan 0.000 0.478 2612 D N 1.654 122.045 120.400 -0.015 0.000 2.697 2612 D HA -0.211 4.429 4.640 -0.001 0.000 0.235 2612 D C -0.934 175.375 176.300 0.016 0.000 1.167 2612 D CA 0.920 54.918 54.000 -0.004 0.000 0.656 2612 D CB -0.792 40.006 40.800 -0.002 0.000 1.025 2612 D HN 0.421 nan 8.370 nan 0.000 0.419 2613 N N -0.616 118.099 118.700 0.025 0.000 2.442 2613 N HA 0.339 5.078 4.740 -0.001 0.000 0.274 2613 N C 0.514 176.059 175.510 0.058 0.000 1.002 2613 N CA -0.446 52.655 53.050 0.084 0.000 0.910 2613 N CB 1.369 39.933 38.487 0.129 0.000 1.244 2613 N HN -0.070 nan 8.380 nan 0.000 0.492 2614 S N 2.014 117.748 115.700 0.057 0.000 2.527 2614 S HA 0.061 4.531 4.470 -0.001 0.000 0.222 2614 S C 1.075 175.581 174.600 -0.158 0.000 0.985 2614 S CA 0.265 58.396 58.200 -0.115 0.000 0.921 2614 S CB -0.315 62.781 63.200 -0.172 0.000 0.772 2614 S HN 0.489 nan 8.310 nan 0.000 0.529 2615 F N 1.188 121.144 119.950 0.010 0.000 2.776 2615 F HA 0.246 4.773 4.527 -0.001 0.000 0.300 2615 F C 2.348 178.205 175.800 0.095 0.000 1.116 2615 F CA 0.010 58.047 58.000 0.061 0.000 1.375 2615 F CB -0.225 38.814 39.000 0.065 0.000 1.109 2615 F HN 0.333 nan 8.300 nan 0.000 0.585 2616 H N 0.249 119.415 119.070 0.161 0.000 2.462 2616 H HA -0.038 4.517 4.556 -0.001 0.000 0.292 2616 H C 0.110 175.597 175.328 0.265 0.000 1.049 2616 H CA 1.783 57.948 56.048 0.195 0.000 1.334 2616 H CB 0.106 30.000 29.762 0.219 0.000 1.404 2616 H HN 0.340 nan 8.280 nan 0.000 0.544 2617 H N -2.843 116.330 119.070 0.171 0.000 2.868 2617 H HA 0.537 5.093 4.556 -0.001 0.000 0.278 2617 H C -1.777 173.597 175.328 0.076 0.000 1.454 2617 H CA -0.356 55.765 56.048 0.122 0.000 1.145 2617 H CB 0.642 30.500 29.762 0.161 0.000 1.808 2617 H HN 0.169 nan 8.280 nan 0.000 0.500 2618 A N 0.563 123.454 122.820 0.118 0.000 2.594 2618 A HA 0.424 4.743 4.320 -0.001 0.000 0.291 2618 A C -1.553 176.145 177.584 0.190 0.000 1.105 2618 A CA -0.693 51.348 52.037 0.007 0.000 0.694 2618 A CB 1.826 20.853 19.000 0.045 0.000 1.291 2618 A HN 0.845 nan 8.150 nan 0.000 0.410 2619 H N 0.459 119.548 119.070 0.030 0.000 2.482 2619 H HA 0.615 5.171 4.556 -0.001 0.000 0.344 2619 H C -1.056 174.252 175.328 -0.033 0.000 1.151 2619 H CA -0.277 55.777 56.048 0.009 0.000 1.300 2619 H CB 0.907 30.663 29.762 -0.011 0.000 1.494 2619 H HN 0.481 nan 8.280 nan 0.000 0.542 2620 I N 4.629 124.817 120.570 -0.638 0.000 2.503 2620 I HA -0.007 4.163 4.170 -0.001 0.000 0.277 2620 I C 0.463 176.217 176.117 -0.606 0.000 1.078 2620 I CA -0.604 60.291 61.300 -0.675 0.000 1.184 2620 I CB 1.021 38.568 38.000 -0.755 0.000 1.353 2620 I HN 0.596 nan 8.210 nan 0.000 0.490 2621 D N 3.223 123.463 120.400 -0.267 0.000 2.160 2621 D HA -0.184 4.455 4.640 -0.001 0.000 0.189 2621 D C 2.200 178.438 176.300 -0.103 0.000 1.003 2621 D CA 1.391 55.351 54.000 -0.067 0.000 0.846 2621 D CB 0.090 40.944 40.800 0.090 0.000 0.949 2621 D HN 0.294 nan 8.370 nan 0.000 0.446 2622 V N 0.720 120.590 119.914 -0.074 0.000 2.380 2622 V HA -0.260 3.860 4.120 -0.001 0.000 0.251 2622 V C 2.188 178.250 176.094 -0.054 0.000 1.063 2622 V CA 2.043 64.329 62.300 -0.024 0.000 1.055 2622 V CB -0.546 31.302 31.823 0.042 0.000 0.657 2622 V HN 0.291 nan 8.190 nan 0.000 0.455 2623 A N -1.750 120.967 122.820 -0.171 0.000 2.267 2623 A HA 0.124 4.444 4.320 -0.001 0.000 0.213 2623 A C 1.072 178.449 177.584 -0.345 0.000 1.192 2623 A CA 0.322 52.209 52.037 -0.250 0.000 0.851 2623 A CB -0.211 18.496 19.000 -0.487 0.000 0.881 2623 A HN 0.562 nan 8.150 nan 0.000 0.494 2624 N N 0.601 119.098 118.700 -0.337 0.000 2.735 2624 N HA -0.133 4.607 4.740 -0.001 0.000 0.248 2624 N C -0.191 175.136 175.510 -0.305 0.000 1.083 2624 N CA 1.560 54.465 53.050 -0.241 0.000 0.703 2624 N CB -1.393 37.049 38.487 -0.076 0.000 1.005 2624 N HN 0.811 nan 8.380 nan 0.000 0.550 2625 T N -4.028 110.164 114.554 -0.603 0.000 2.762 2625 T HA 0.503 4.853 4.350 -0.001 0.000 0.301 2625 T C -1.010 173.413 174.700 -0.461 0.000 1.299 2625 T CA -0.990 60.828 62.100 -0.471 0.000 1.005 2625 T CB 2.406 70.850 68.868 -0.707 0.000 1.377 2625 T HN -0.159 nan 8.240 nan 0.000 0.504 2626 D N 1.967 122.253 120.400 -0.190 0.000 2.217 2626 D HA 0.484 5.124 4.640 -0.001 0.000 0.248 2626 D C 0.499 176.769 176.300 -0.050 0.000 1.008 2626 D CA -0.160 53.824 54.000 -0.028 0.000 0.914 2626 D CB 1.631 42.475 40.800 0.075 0.000 1.182 2626 D HN 0.859 nan 8.370 nan 0.000 0.451 2627 T N -1.385 113.210 114.554 0.068 0.000 2.903 2627 T HA 0.357 4.707 4.350 -0.001 0.000 0.314 2627 T C 0.405 175.175 174.700 0.117 0.000 1.078 2627 T CA -0.494 61.682 62.100 0.126 0.000 1.114 2627 T CB 0.343 69.344 68.868 0.221 0.000 0.987 2627 T HN 0.414 nan 8.240 nan 0.000 0.548 2628 T N 0.272 114.909 114.554 0.138 0.000 2.887 2628 T HA 0.721 5.070 4.350 -0.001 0.000 0.288 2628 T C -0.539 174.219 174.700 0.096 0.000 1.021 2628 T CA -1.256 60.905 62.100 0.101 0.000 1.000 2628 T CB 1.586 70.519 68.868 0.107 0.000 1.034 2628 T HN 0.788 nan 8.240 nan 0.000 0.467 2629 R N 0.588 121.129 120.500 0.067 0.000 2.750 2629 R HA 0.738 5.078 4.340 -0.001 0.000 0.281 2629 R C -0.852 175.491 176.300 0.073 0.000 0.972 2629 R CA -0.986 55.157 56.100 0.071 0.000 0.912 2629 R CB 2.262 32.590 30.300 0.046 0.000 1.187 2629 R HN 0.682 nan 8.270 nan 0.000 0.464 2630 S N 1.926 117.679 115.700 0.088 0.000 2.730 2630 S HA 0.250 4.719 4.470 -0.001 0.000 0.150 2630 S C -2.711 171.955 174.600 0.109 0.000 1.139 2630 S CA -1.067 57.185 58.200 0.086 0.000 1.155 2630 S CB 0.422 63.661 63.200 0.065 0.000 1.682 2630 S HN 0.310 nan 8.310 nan 0.000 0.452 2631 P HA 0.016 nan 4.420 nan 0.000 0.261 2631 P C -0.365 177.018 177.300 0.139 0.000 1.165 2631 P CA 0.470 63.680 63.100 0.184 0.000 0.759 2631 P CB 0.270 32.172 31.700 0.336 0.000 0.772 2632 R N 2.882 123.425 120.500 0.072 0.000 2.357 2632 R HA 0.361 4.701 4.340 -0.001 0.000 0.296 2632 R C 1.499 177.731 176.300 -0.113 0.000 1.052 2632 R CA -0.370 55.699 56.100 -0.052 0.000 0.988 2632 R CB 0.833 31.035 30.300 -0.163 0.000 1.025 2632 R HN 0.451 nan 8.270 nan 0.000 0.469 2633 A N 3.040 125.810 122.820 -0.084 0.000 1.997 2633 A HA -0.230 4.090 4.320 -0.001 0.000 0.221 2633 A C 1.840 179.303 177.584 -0.201 0.000 1.172 2633 A CA 1.508 53.525 52.037 -0.033 0.000 0.645 2633 A CB -0.348 18.619 19.000 -0.055 0.000 0.813 2633 A HN 0.812 nan 8.150 nan 0.000 0.454 2634 Q N -0.439 119.052 119.800 -0.514 0.000 2.541 2634 Q HA -0.059 4.281 4.340 -0.001 0.000 0.215 2634 Q C 1.548 177.158 176.000 -0.650 0.000 0.977 2634 Q CA 1.128 56.468 55.803 -0.771 0.000 0.934 2634 Q CB -0.591 27.374 28.738 -1.288 0.000 0.988 2634 Q HN 0.530 nan 8.270 nan 0.000 0.521 2635 L N -0.115 120.865 121.223 -0.404 0.000 2.240 2635 L HA 0.194 4.534 4.340 -0.001 0.000 0.211 2635 L C 0.153 176.768 176.870 -0.426 0.000 1.106 2635 L CA 1.026 55.767 54.840 -0.165 0.000 0.793 2635 L CB -0.018 41.775 42.059 -0.443 0.000 0.927 2635 L HN 0.011 nan 8.230 nan 0.000 0.446 2646 F N 1.433 121.472 119.950 0.149 0.000 2.134 2646 F HA 0.086 4.612 4.527 -0.000 0.000 0.299 2646 F C 1.493 177.310 175.800 0.027 0.000 1.097 2646 F CA 1.506 59.519 58.000 0.021 0.000 1.264 2646 F CB -0.476 38.434 39.000 -0.150 0.000 1.001 2646 F HN 0.584 nan 8.300 nan 0.000 0.479 2647 F N -0.998 119.124 119.950 0.287 0.000 2.186 2647 F HA -0.138 4.388 4.527 -0.001 0.000 0.299 2647 F C 2.320 178.256 175.800 0.227 0.000 1.090 2647 F CA 1.578 59.731 58.000 0.254 0.000 1.307 2647 F CB -1.510 37.839 39.000 0.582 0.000 1.019 2647 F HN 0.098 nan 8.300 nan 0.000 0.489 2648 Y N 1.285 121.783 120.300 0.331 0.000 2.165 2648 Y HA -0.216 4.334 4.550 -0.001 0.000 0.286 2648 Y C 2.508 178.473 175.900 0.108 0.000 1.155 2648 Y CA 1.497 59.710 58.100 0.188 0.000 1.164 2648 Y CB -0.443 38.036 38.460 0.032 0.000 0.978 2648 Y HN -0.118 nan 8.280 nan 0.000 0.513 2649 R N -0.275 120.202 120.500 -0.040 0.000 2.073 2649 R HA -0.191 4.149 4.340 -0.001 0.000 0.234 2649 R C 2.321 178.459 176.300 -0.269 0.000 1.134 2649 R CA 1.730 57.725 56.100 -0.175 0.000 0.952 2649 R CB -0.298 29.943 30.300 -0.097 0.000 0.850 2649 R HN 0.427 nan 8.270 nan 0.000 0.433 2650 Q N 0.234 119.843 119.800 -0.318 0.000 2.084 2650 Q HA -0.132 4.208 4.340 -0.001 0.000 0.202 2650 Q C 2.119 178.050 176.000 -0.114 0.000 0.978 2650 Q CA 1.193 56.824 55.803 -0.287 0.000 0.844 2650 Q CB -0.075 28.449 28.738 -0.356 0.000 0.898 2650 Q HN 0.366 nan 8.270 nan 0.000 0.426 2651 I N 0.209 120.761 120.570 -0.030 0.000 2.500 2651 I HA -0.086 4.084 4.170 -0.001 0.000 0.252 2651 I C 2.200 178.233 176.117 -0.141 0.000 1.142 2651 I CA 0.808 62.119 61.300 0.020 0.000 1.451 2651 I CB -1.295 36.805 38.000 0.166 0.000 1.093 2651 I HN -0.005 nan 8.210 nan 0.000 0.430 2652 A N 1.010 123.650 122.820 -0.300 0.000 1.933 2652 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 2652 A C 2.276 179.771 177.584 -0.150 0.000 1.175 2652 A CA 1.259 53.099 52.037 -0.328 0.000 0.628 2652 A CB -0.792 17.905 19.000 -0.505 0.000 0.814 2652 A HN 0.364 nan 8.150 nan 0.000 0.444 2653 L N -0.422 120.723 121.223 -0.130 0.000 2.141 2653 L HA -0.008 4.331 4.340 -0.001 0.000 0.209 2653 L C 2.542 179.389 176.870 -0.039 0.000 1.094 2653 L CA 1.896 56.693 54.840 -0.072 0.000 0.763 2653 L CB -0.690 41.310 42.059 -0.098 0.000 0.908 2653 L HN 0.335 nan 8.230 nan 0.000 0.437 2654 A N -0.545 122.261 122.820 -0.024 0.000 1.872 2654 A HA -0.094 4.226 4.320 -0.001 0.000 0.214 2654 A C 2.163 179.870 177.584 0.205 0.000 1.187 2654 A CA 1.635 53.697 52.037 0.042 0.000 0.614 2654 A CB -0.801 18.216 19.000 0.028 0.000 0.826 2654 A HN 0.458 nan 8.150 nan 0.000 0.442 2655 L N -0.455 120.852 121.223 0.140 0.000 2.275 2655 L HA -0.149 4.191 4.340 -0.001 0.000 0.215 2655 L C 2.476 179.470 176.870 0.208 0.000 1.119 2655 L CA 1.416 56.378 54.840 0.203 0.000 0.790 2655 L CB -0.472 41.553 42.059 -0.057 0.000 0.919 2655 L HN 0.593 nan 8.230 nan 0.000 0.443 2656 E N 0.069 120.339 120.200 0.118 0.000 2.150 2656 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 2656 E C 0.563 177.252 176.600 0.149 0.000 0.985 2656 E CA 0.267 56.723 56.400 0.094 0.000 0.814 2656 E CB 0.321 30.046 29.700 0.041 0.000 0.752 2656 E HN 0.368 nan 8.360 nan 0.000 0.466 2657 Q N 0.398 120.316 119.800 0.198 0.000 2.386 2657 Q HA -0.036 4.303 4.340 -0.001 0.000 0.282 2657 Q C 0.797 177.040 176.000 0.404 0.000 1.050 2657 Q CA 0.998 56.938 55.803 0.229 0.000 0.918 2657 Q CB 1.129 29.972 28.738 0.174 0.000 1.266 2657 Q HN 0.232 nan 8.270 nan 0.000 0.423 2658 T N -2.738 111.997 114.554 0.302 0.000 3.085 2658 T HA 0.202 4.552 4.350 -0.001 0.000 0.264 2658 T C -0.203 174.729 174.700 0.387 0.000 1.019 2658 T CA -0.248 62.032 62.100 0.300 0.000 0.910 2658 T CB 0.245 69.190 68.868 0.128 0.000 1.059 2658 T HN 0.444 nan 8.240 nan 0.000 0.542 2659 D N -0.230 120.419 120.400 0.416 0.000 2.649 2659 D HA 0.436 5.076 4.640 -0.001 0.000 0.249 2659 D C 0.457 177.003 176.300 0.410 0.000 1.112 2659 D CA -0.964 53.265 54.000 0.383 0.000 0.850 2659 D CB 1.155 42.077 40.800 0.204 0.000 1.399 2659 D HN -0.098 nan 8.370 nan 0.000 0.503 2660 F N 2.920 123.081 119.950 0.351 0.000 2.091 2660 F HA -0.228 4.298 4.527 -0.001 0.000 0.299 2660 F C 1.855 177.685 175.800 0.050 0.000 1.103 2660 F CA 1.423 59.499 58.000 0.127 0.000 1.228 2660 F CB -0.282 38.923 39.000 0.341 0.000 0.984 2660 F HN 0.543 nan 8.300 nan 0.000 0.477 2661 c N 0.298 118.904 118.600 0.011 0.000 2.422 2661 c HA -0.166 4.404 4.570 -0.001 0.000 0.279 2661 c C 2.428 176.407 174.090 -0.184 0.000 1.305 2661 c CA 1.076 57.334 56.329 -0.118 0.000 1.757 2661 c CB -1.194 41.346 42.510 0.051 0.000 1.962 2661 c HN 0.478 nan 8.230 nan 0.000 0.499 2662 D N 0.035 120.372 120.400 -0.105 0.000 2.194 2662 D HA -0.046 4.594 4.640 -0.001 0.000 0.204 2662 D C 1.734 177.915 176.300 -0.198 0.000 0.964 2662 D CA 0.807 54.731 54.000 -0.128 0.000 0.846 2662 D CB -0.440 40.331 40.800 -0.048 0.000 0.962 2662 D HN 0.541 nan 8.370 nan 0.000 0.490 2663 F N 2.235 121.941 119.950 -0.408 0.000 2.113 2663 F HA -0.121 4.405 4.527 -0.001 0.000 0.297 2663 F C 2.147 177.607 175.800 -0.568 0.000 1.103 2663 F CA 1.204 58.844 58.000 -0.600 0.000 1.248 2663 F CB -0.118 38.129 39.000 -1.256 0.000 0.999 2663 F HN -0.239 nan 8.300 nan 0.000 0.475 2664 E N 1.224 120.819 120.200 -1.009 0.000 2.070 2664 E HA -0.299 4.050 4.350 -0.001 0.000 0.197 2664 E C 2.367 178.594 176.600 -0.621 0.000 1.004 2664 E CA 1.978 57.797 56.400 -0.969 0.000 0.805 2664 E CB -0.790 28.377 29.700 -0.888 0.000 0.744 2664 E HN 0.693 nan 8.360 nan 0.000 0.451 2665 I N 0.460 120.706 120.570 -0.539 0.000 2.252 2665 I HA -0.287 3.883 4.170 -0.001 0.000 0.245 2665 I C 2.210 178.075 176.117 -0.420 0.000 1.102 2665 I CA 1.139 62.075 61.300 -0.607 0.000 1.385 2665 I CB -0.023 37.527 38.000 -0.750 0.000 1.064 2665 I HN 0.080 nan 8.210 nan 0.000 0.414 2666 Q N 0.270 119.906 119.800 -0.273 0.000 2.079 2666 Q HA -0.216 4.123 4.340 -0.001 0.000 0.200 2666 Q C 2.095 178.011 176.000 -0.140 0.000 0.974 2666 Q CA 1.732 57.496 55.803 -0.066 0.000 0.840 2666 Q CB -0.877 27.797 28.738 -0.107 0.000 0.898 2666 Q HN 0.575 nan 8.270 nan 0.000 0.430 2667 F N 2.272 121.893 119.950 -0.549 0.000 2.046 2667 F HA -0.241 4.286 4.527 -0.001 0.000 0.297 2667 F C 2.356 177.937 175.800 -0.364 0.000 1.123 2667 F CA 2.191 59.856 58.000 -0.559 0.000 1.199 2667 F CB -0.377 37.840 39.000 -1.305 0.000 0.972 2667 F HN 0.187 nan 8.300 nan 0.000 0.474 2668 E N 0.230 120.003 120.200 -0.712 0.000 2.051 2668 E HA -0.215 4.135 4.350 -0.001 0.000 0.192 2668 E C 2.277 178.580 176.600 -0.495 0.000 0.991 2668 E CA 1.767 57.592 56.400 -0.957 0.000 0.799 2668 E CB -0.223 28.823 29.700 -1.091 0.000 0.748 2668 E HN 0.437 nan 8.360 nan 0.000 0.449 2669 I N 1.171 121.481 120.570 -0.433 0.000 2.286 2669 I HA -0.152 4.017 4.170 -0.001 0.000 0.248 2669 I C 2.559 178.546 176.117 -0.218 0.000 1.115 2669 I CA 1.459 62.520 61.300 -0.399 0.000 1.392 2669 I CB -1.706 35.787 38.000 -0.845 0.000 1.065 2669 I HN 0.292 nan 8.210 nan 0.000 0.418 2670 G N 1.111 109.839 108.800 -0.119 0.000 2.421 2670 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.216 2670 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.216 2670 G C 1.617 176.485 174.900 -0.054 0.000 1.171 2670 G CA 1.065 46.167 45.100 0.003 0.000 0.775 2670 G HN 0.566 nan 8.290 nan 0.000 0.543 2671 H N 1.185 120.140 119.070 -0.191 0.000 2.457 2671 H HA -0.014 4.541 4.556 -0.001 0.000 0.297 2671 H C 1.878 177.114 175.328 -0.153 0.000 1.092 2671 H CA 1.525 57.462 56.048 -0.184 0.000 1.309 2671 H CB -0.441 29.209 29.762 -0.186 0.000 1.382 2671 H HN 0.201 nan 8.280 nan 0.000 0.535 2672 N N 1.092 119.562 118.700 -0.383 0.000 2.381 2672 N HA -0.023 4.717 4.740 -0.001 0.000 0.182 2672 N C 2.097 177.361 175.510 -0.410 0.000 1.025 2672 N CA 1.214 54.012 53.050 -0.420 0.000 0.888 2672 N CB -0.380 37.924 38.487 -0.304 0.000 0.965 2672 N HN 0.549 nan 8.380 nan 0.000 0.438 2673 A N 1.232 123.776 122.820 -0.459 0.000 1.902 2673 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 2673 A C 2.053 179.194 177.584 -0.738 0.000 1.181 2673 A CA 0.810 52.421 52.037 -0.710 0.000 0.623 2673 A CB -0.381 18.322 19.000 -0.494 0.000 0.818 2673 A HN 0.095 nan 8.150 nan 0.000 0.443 2674 I N -0.230 119.877 120.570 -0.771 0.000 2.163 2674 I HA -0.234 3.935 4.170 -0.001 0.000 0.243 2674 I C 2.363 178.135 176.117 -0.574 0.000 1.085 2674 I CA 1.538 62.297 61.300 -0.901 0.000 1.347 2674 I CB -1.768 35.184 38.000 -1.747 0.000 1.044 2674 I HN 0.444 nan 8.210 nan 0.000 0.408 2675 H N 0.015 118.760 119.070 -0.542 0.000 2.265 2675 H HA -0.174 4.381 4.556 -0.001 0.000 0.295 2675 H C 2.547 177.776 175.328 -0.164 0.000 1.084 2675 H CA 2.198 58.089 56.048 -0.261 0.000 1.261 2675 H CB -0.264 29.368 29.762 -0.217 0.000 1.360 2675 H HN 0.245 nan 8.280 nan 0.000 0.487 2676 S N -0.036 115.609 115.700 -0.091 0.000 2.359 2676 S HA -0.164 4.306 4.470 -0.001 0.000 0.224 2676 S C 1.885 176.567 174.600 0.137 0.000 1.035 2676 S CA 1.335 59.505 58.200 -0.050 0.000 1.018 2676 S CB -0.255 62.834 63.200 -0.184 0.000 0.876 2676 S HN 0.424 nan 8.310 nan 0.000 0.448 2677 W N 1.010 122.295 121.300 -0.024 0.000 2.584 2677 W HA 0.255 4.915 4.660 -0.000 0.000 0.264 2677 W C 2.186 178.693 176.519 -0.020 0.000 1.264 2677 W CA -0.334 56.995 57.345 -0.027 0.000 1.306 2677 W CB -1.333 28.112 29.460 -0.024 0.000 1.110 2677 W HN 0.174 nan 8.180 nan 0.000 0.606 2678 V N 0.164 120.173 119.914 0.159 0.000 2.331 2678 V HA -0.038 4.082 4.120 -0.001 0.000 0.242 2678 V C 2.429 178.595 176.094 0.119 0.000 1.034 2678 V CA 2.261 64.633 62.300 0.120 0.000 1.027 2678 V CB -1.227 30.633 31.823 0.063 0.000 0.667 2678 V HN 0.168 nan 8.190 nan 0.000 0.457 2679 G N -1.125 107.742 108.800 0.112 0.000 2.403 2679 G HA2 0.255 4.215 3.960 -0.001 0.000 0.216 2679 G HA3 0.255 4.215 3.960 -0.001 0.000 0.216 2679 G C 1.163 176.124 174.900 0.102 0.000 1.154 2679 G CA 1.121 46.289 45.100 0.114 0.000 0.784 2679 G HN 0.875 nan 8.290 nan 0.000 0.538 2680 G N 0.052 108.922 108.800 0.118 0.000 2.611 2680 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.301 2680 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.301 2680 G C 1.518 176.456 174.900 0.063 0.000 1.233 2680 G CA 1.915 47.078 45.100 0.103 0.000 0.993 2680 G HN 1.366 nan 8.290 nan 0.000 0.553 2681 S N -0.010 115.715 115.700 0.041 0.000 2.548 2681 S HA 0.407 4.877 4.470 -0.001 0.000 0.215 2681 S C 1.340 175.936 174.600 -0.007 0.000 0.976 2681 S CA 1.081 59.287 58.200 0.010 0.000 0.908 2681 S CB -0.118 63.084 63.200 0.004 0.000 0.781 2681 S HN 2.165 nan 8.310 nan 0.000 0.519 2682 S N 3.303 119.011 115.700 0.013 0.000 2.563 2682 S HA 0.125 4.594 4.470 -0.001 0.000 0.294 2682 S C -0.981 173.590 174.600 -0.049 0.000 1.279 2682 S CA -0.764 57.438 58.200 0.003 0.000 1.069 2682 S CB 0.466 63.693 63.200 0.045 0.000 0.828 2682 S HN 0.255 nan 8.310 nan 0.000 0.497 2683 P HA -0.042 nan 4.420 nan 0.000 0.226 2683 P C -0.344 176.577 177.300 -0.631 0.000 1.153 2683 P CA 1.094 63.943 63.100 -0.419 0.000 0.777 2683 P CB -0.163 31.168 31.700 -0.615 0.000 0.794 2684 Y N -0.605 119.654 120.300 -0.068 0.000 2.629 2684 Y HA 0.538 5.088 4.550 -0.001 0.000 0.282 2684 Y C 1.214 177.155 175.900 0.068 0.000 0.994 2684 Y CA -0.634 57.377 58.100 -0.147 0.000 1.126 2684 Y CB 0.707 38.950 38.460 -0.361 0.000 1.187 2684 Y HN -0.090 nan 8.280 nan 0.000 0.600 2685 G N -0.793 108.142 108.800 0.225 0.000 3.209 2685 G HA2 0.280 4.240 3.960 -0.001 0.000 0.236 2685 G HA3 0.280 4.240 3.960 -0.001 0.000 0.236 2685 G C 0.786 175.838 174.900 0.254 0.000 1.329 2685 G CA -0.725 44.511 45.100 0.226 0.000 1.015 2685 G HN 0.038 nan 8.290 nan 0.000 0.571 2686 M N 1.016 120.751 119.600 0.225 0.000 2.539 2686 M HA -0.063 4.417 4.480 -0.001 0.000 0.261 2686 M C 2.216 178.690 176.300 0.290 0.000 1.069 2686 M CA 1.341 56.801 55.300 0.268 0.000 1.081 2686 M CB -0.587 32.109 32.600 0.160 0.000 1.412 2686 M HN 0.528 nan 8.290 nan 0.000 0.482 2687 S N -1.368 114.442 115.700 0.183 0.000 2.548 2687 S HA 0.029 4.498 4.470 -0.001 0.000 0.215 2687 S C 0.956 175.593 174.600 0.063 0.000 0.976 2687 S CA -0.166 58.099 58.200 0.109 0.000 0.908 2687 S CB -0.601 62.643 63.200 0.074 0.000 0.781 2687 S HN 0.494 nan 8.310 nan 0.000 0.519 2688 T N -0.007 114.618 114.554 0.117 0.000 2.867 2688 T HA 0.611 4.961 4.350 -0.001 0.000 0.282 2688 T C 0.686 175.437 174.700 0.085 0.000 1.000 2688 T CA -0.862 61.278 62.100 0.066 0.000 1.042 2688 T CB 1.766 70.737 68.868 0.172 0.000 0.973 2688 T HN 0.053 nan 8.240 nan 0.000 0.465 2689 L N 1.360 122.563 121.223 -0.033 0.000 2.156 2689 L HA 0.052 4.391 4.340 -0.001 0.000 0.208 2689 L C 2.465 179.476 176.870 0.235 0.000 1.095 2689 L CA 1.466 56.347 54.840 0.068 0.000 0.770 2689 L CB -0.633 41.352 42.059 -0.123 0.000 0.914 2689 L HN 0.872 nan 8.230 nan 0.000 0.439 2690 H N -1.983 117.073 119.070 -0.023 0.000 2.353 2690 H HA -0.148 4.407 4.556 -0.001 0.000 0.300 2690 H C 0.730 175.849 175.328 -0.349 0.000 1.090 2690 H CA 1.756 57.647 56.048 -0.262 0.000 1.327 2690 H CB 0.095 29.547 29.762 -0.517 0.000 1.383 2690 H HN 0.396 nan 8.280 nan 0.000 0.508 2691 Y N -0.508 120.037 120.300 0.409 0.000 2.557 2691 Y HA 0.075 4.624 4.550 -0.000 0.000 0.247 2691 Y C 2.031 178.124 175.900 0.322 0.000 1.164 2691 Y CA -0.025 58.348 58.100 0.454 0.000 1.218 2691 Y CB 0.148 38.845 38.460 0.395 0.000 1.210 2691 Y HN 0.140 nan 8.280 nan 0.000 0.529 2692 T N -1.401 113.312 114.554 0.264 0.000 2.684 2692 T HA -0.258 4.092 4.350 -0.001 0.000 0.267 2692 T C 2.073 176.630 174.700 -0.238 0.000 1.036 2692 T CA 1.813 64.004 62.100 0.153 0.000 1.148 2692 T CB -0.737 68.303 68.868 0.287 0.000 0.863 2692 T HN 0.446 nan 8.240 nan 0.000 0.436 2693 S N 0.743 115.953 115.700 -0.816 0.000 2.528 2693 S HA -0.097 4.373 4.470 -0.001 0.000 0.244 2693 S C 1.495 175.692 174.600 -0.672 0.000 0.982 2693 S CA 0.484 57.825 58.200 -1.430 0.000 0.953 2693 S CB -0.887 61.570 63.200 -1.238 0.000 0.754 2693 S HN 0.610 nan 8.310 nan 0.000 0.529 2694 Y N 1.418 121.664 120.300 -0.090 0.000 2.517 2694 Y HA 0.289 4.839 4.550 -0.001 0.000 0.281 2694 Y C 1.082 177.170 175.900 0.314 0.000 1.125 2694 Y CA -0.250 57.959 58.100 0.181 0.000 1.283 2694 Y CB -0.010 38.596 38.460 0.244 0.000 1.042 2694 Y HN 0.283 nan 8.280 nan 0.000 0.547 2695 D N 0.841 121.453 120.400 0.353 0.000 2.317 2695 D HA 0.076 4.716 4.640 -0.001 0.000 0.252 2695 D C -2.031 174.512 176.300 0.404 0.000 1.174 2695 D CA -2.144 52.060 54.000 0.341 0.000 0.866 2695 D CB 1.737 42.698 40.800 0.268 0.000 1.127 2695 D HN 0.014 nan 8.370 nan 0.000 0.467 2696 P HA -0.154 nan 4.420 nan 0.000 0.218 2696 P C 1.473 179.117 177.300 0.572 0.000 1.146 2696 P CA 0.409 63.832 63.100 0.539 0.000 0.813 2696 P CB 0.203 32.041 31.700 0.230 0.000 0.778 2697 L N -1.298 120.168 121.223 0.405 0.000 2.191 2697 L HA -0.115 4.225 4.340 -0.001 0.000 0.212 2697 L C 2.057 179.138 176.870 0.352 0.000 1.103 2697 L CA 1.465 56.500 54.840 0.325 0.000 0.769 2697 L CB -1.414 40.742 42.059 0.162 0.000 0.908 2697 L HN -0.104 nan 8.230 nan 0.000 0.438 2698 F N -0.672 119.341 119.950 0.104 0.000 2.154 2698 F HA -0.326 4.200 4.527 -0.001 0.000 0.301 2698 F C 1.802 177.584 175.800 -0.029 0.000 1.087 2698 F CA 1.841 59.824 58.000 -0.028 0.000 1.274 2698 F CB -0.417 38.405 39.000 -0.297 0.000 1.009 2698 F HN 0.201 nan 8.300 nan 0.000 0.485 2699 Y N 0.056 120.683 120.300 0.545 0.000 2.337 2699 Y HA -0.063 4.486 4.550 -0.001 0.000 0.293 2699 Y C 2.250 178.337 175.900 0.311 0.000 1.123 2699 Y CA 1.040 59.379 58.100 0.398 0.000 1.201 2699 Y CB -0.649 38.040 38.460 0.383 0.000 1.011 2699 Y HN 0.066 nan 8.280 nan 0.000 0.545 2700 L N -1.069 120.421 121.223 0.445 0.000 2.109 2700 L HA -0.187 4.152 4.340 -0.001 0.000 0.207 2700 L C 2.417 179.546 176.870 0.431 0.000 1.086 2700 L CA 1.523 56.602 54.840 0.399 0.000 0.760 2700 L CB -0.675 41.593 42.059 0.348 0.000 0.910 2700 L HN 0.280 nan 8.230 nan 0.000 0.437 2701 H N -0.213 119.023 119.070 0.276 0.000 2.321 2701 H HA -0.169 4.387 4.556 -0.000 0.000 0.300 2701 H C 2.253 177.581 175.328 0.001 0.000 1.087 2701 H CA 1.749 57.907 56.048 0.184 0.000 1.319 2701 H CB -0.115 29.601 29.762 -0.076 0.000 1.379 2701 H HN 0.255 nan 8.280 nan 0.000 0.501 2702 H N -0.971 117.982 119.070 -0.196 0.000 2.502 2702 H HA -0.015 4.541 4.556 -0.001 0.000 0.283 2702 H C 2.239 177.574 175.328 0.012 0.000 1.015 2702 H CA 1.062 56.962 56.048 -0.247 0.000 1.298 2702 H CB 0.082 29.604 29.762 -0.400 0.000 1.411 2702 H HN 0.391 nan 8.280 nan 0.000 0.556 2703 S N 0.234 116.056 115.700 0.203 0.000 2.387 2703 S HA -0.120 4.350 4.470 -0.001 0.000 0.226 2703 S C 1.950 176.687 174.600 0.229 0.000 1.026 2703 S CA 0.925 59.277 58.200 0.253 0.000 0.972 2703 S CB -0.061 63.322 63.200 0.306 0.000 0.814 2703 S HN 0.518 nan 8.310 nan 0.000 0.477 2704 N N -0.189 118.620 118.700 0.182 0.000 2.106 2704 N HA -0.109 4.631 4.740 -0.001 0.000 0.188 2704 N C 1.495 176.962 175.510 -0.072 0.000 1.029 2704 N CA 1.773 54.818 53.050 -0.008 0.000 0.848 2704 N CB -0.306 38.131 38.487 -0.082 0.000 1.007 2704 N HN 0.389 nan 8.380 nan 0.000 0.423 2705 T N 0.370 114.945 114.554 0.036 0.000 2.720 2705 T HA -0.180 4.169 4.350 -0.001 0.000 0.268 2705 T C 1.294 176.202 174.700 0.346 0.000 1.037 2705 T CA 1.671 63.869 62.100 0.163 0.000 1.144 2705 T CB -0.515 68.270 68.868 -0.139 0.000 0.864 2705 T HN 0.375 nan 8.240 nan 0.000 0.444 2706 D N 0.271 120.830 120.400 0.265 0.000 2.219 2706 D HA -0.049 4.591 4.640 -0.001 0.000 0.205 2706 D C 2.270 178.613 176.300 0.071 0.000 0.970 2706 D CA 0.636 54.834 54.000 0.330 0.000 0.851 2706 D CB -0.005 40.986 40.800 0.319 0.000 0.943 2706 D HN 0.243 nan 8.370 nan 0.000 0.488 2707 R N -0.031 120.339 120.500 -0.217 0.000 2.075 2707 R HA -0.045 4.295 4.340 -0.001 0.000 0.232 2707 R C 2.239 178.298 176.300 -0.401 0.000 1.126 2707 R CA 0.969 56.578 56.100 -0.820 0.000 0.963 2707 R CB -0.238 29.383 30.300 -1.131 0.000 0.858 2707 R HN 0.251 nan 8.270 nan 0.000 0.435 2708 I N -0.122 120.382 120.570 -0.110 0.000 2.208 2708 I HA -0.299 3.871 4.170 -0.001 0.000 0.245 2708 I C 2.184 178.367 176.117 0.111 0.000 1.097 2708 I CA 1.045 62.371 61.300 0.043 0.000 1.363 2708 I CB -0.405 37.732 38.000 0.228 0.000 1.051 2708 I HN 0.404 nan 8.210 nan 0.000 0.413 2709 W N 1.895 123.156 121.300 -0.066 0.000 2.355 2709 W HA -0.194 4.466 4.660 -0.001 0.000 0.309 2709 W C 2.704 179.177 176.519 -0.076 0.000 1.206 2709 W CA 1.614 58.898 57.345 -0.101 0.000 1.284 2709 W CB -0.837 28.629 29.460 0.011 0.000 1.145 2709 W HN 0.031 nan 8.180 nan 0.000 0.502 2710 S N 0.219 115.811 115.700 -0.180 0.000 2.382 2710 S HA -0.185 4.285 4.470 -0.001 0.000 0.228 2710 S C 2.021 176.500 174.600 -0.201 0.000 1.027 2710 S CA 1.558 59.543 58.200 -0.358 0.000 0.991 2710 S CB -0.801 62.003 63.200 -0.659 0.000 0.823 2710 S HN 0.100 nan 8.310 nan 0.000 0.469 2711 V N 0.300 120.108 119.914 -0.177 0.000 2.295 2711 V HA -0.187 3.933 4.120 -0.001 0.000 0.246 2711 V C 1.916 177.937 176.094 -0.123 0.000 1.049 2711 V CA 1.790 64.009 62.300 -0.134 0.000 1.024 2711 V CB -0.686 31.067 31.823 -0.117 0.000 0.648 2711 V HN 0.690 nan 8.190 nan 0.000 0.447 2712 W N 0.754 121.887 121.300 -0.279 0.000 2.338 2712 W HA -0.236 4.424 4.660 -0.001 0.000 0.304 2712 W C 2.569 178.939 176.519 -0.249 0.000 1.212 2712 W CA 2.089 59.219 57.345 -0.359 0.000 1.264 2712 W CB -0.294 28.691 29.460 -0.792 0.000 1.142 2712 W HN 0.263 nan 8.180 nan 0.000 0.512 2713 Q N -0.463 119.239 119.800 -0.162 0.000 2.124 2713 Q HA -0.195 4.144 4.340 -0.001 0.000 0.202 2713 Q C 2.402 178.107 176.000 -0.491 0.000 0.977 2713 Q CA 1.790 57.425 55.803 -0.279 0.000 0.850 2713 Q CB -0.679 28.013 28.738 -0.077 0.000 0.901 2713 Q HN 0.376 nan 8.270 nan 0.000 0.429 2714 A N 0.757 123.376 122.820 -0.336 0.000 1.930 2714 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 2714 A C 2.050 179.464 177.584 -0.283 0.000 1.175 2714 A CA 0.866 52.726 52.037 -0.295 0.000 0.627 2714 A CB -0.585 18.315 19.000 -0.167 0.000 0.815 2714 A HN 0.281 nan 8.150 nan 0.000 0.443 2715 L N -0.715 120.324 121.223 -0.307 0.000 2.017 2715 L HA -0.235 4.105 4.340 -0.001 0.000 0.208 2715 L C 2.958 179.653 176.870 -0.292 0.000 1.073 2715 L CA 1.358 56.057 54.840 -0.236 0.000 0.745 2715 L CB -0.420 41.459 42.059 -0.299 0.000 0.894 2715 L HN 0.414 nan 8.230 nan 0.000 0.432 2716 Q N -0.180 119.280 119.800 -0.566 0.000 2.135 2716 Q HA -0.279 4.061 4.340 -0.001 0.000 0.204 2716 Q C 2.100 177.917 176.000 -0.304 0.000 0.981 2716 Q CA 1.625 57.122 55.803 -0.511 0.000 0.856 2716 Q CB -0.229 28.062 28.738 -0.745 0.000 0.902 2716 Q HN 0.452 nan 8.270 nan 0.000 0.425 2717 K N -0.057 120.084 120.400 -0.432 0.000 2.002 2717 K HA -0.212 4.108 4.320 -0.001 0.000 0.209 2717 K C 2.115 178.636 176.600 -0.132 0.000 1.048 2717 K CA 1.251 57.324 56.287 -0.358 0.000 0.930 2717 K CB -0.366 31.801 32.500 -0.555 0.000 0.714 2717 K HN 0.085 nan 8.250 nan 0.000 0.438 2718 Y N 1.527 121.689 120.300 -0.229 0.000 2.256 2718 Y HA -0.157 4.392 4.550 -0.001 0.000 0.288 2718 Y C 1.686 177.516 175.900 -0.117 0.000 1.155 2718 Y CA 1.655 59.666 58.100 -0.149 0.000 1.203 2718 Y CB -0.006 38.370 38.460 -0.141 0.000 0.980 2718 Y HN 0.053 nan 8.280 nan 0.000 0.530 2719 R N -0.655 119.706 120.500 -0.232 0.000 2.236 2719 R HA 0.130 4.470 4.340 -0.001 0.000 0.208 2719 R C 1.491 177.675 176.300 -0.194 0.000 1.036 2719 R CA 0.733 56.676 56.100 -0.262 0.000 1.001 2719 R CB -0.247 29.949 30.300 -0.173 0.000 0.896 2719 R HN 0.480 nan 8.270 nan 0.000 0.464 2720 G N 0.860 109.574 108.800 -0.143 0.000 2.137 2720 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.237 2720 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.237 2720 G C -0.106 174.766 174.900 -0.047 0.000 1.002 2720 G CA -0.189 44.862 45.100 -0.082 0.000 0.702 2720 G HN 0.130 nan 8.290 nan 0.000 0.515 2721 L N 0.907 122.102 121.223 -0.047 0.000 2.330 2721 L HA 0.570 4.909 4.340 -0.001 0.000 0.271 2721 L C -1.609 175.282 176.870 0.035 0.000 1.013 2721 L CA -2.641 52.186 54.840 -0.023 0.000 0.816 2721 L CB 1.801 43.831 42.059 -0.049 0.000 1.287 2721 L HN -0.101 nan 8.230 nan 0.000 0.435 2722 P HA -0.037 nan 4.420 nan 0.000 0.267 2722 P C -1.007 176.330 177.300 0.062 0.000 1.200 2722 P CA 0.367 63.458 63.100 -0.016 0.000 0.772 2722 P CB 0.329 31.994 31.700 -0.058 0.000 0.855 2723 Y N -0.997 119.231 120.300 -0.120 0.000 2.729 2723 Y HA 0.397 4.947 4.550 -0.001 0.000 0.266 2723 Y C 0.674 176.534 175.900 -0.067 0.000 1.064 2723 Y CA -0.193 57.865 58.100 -0.069 0.000 1.251 2723 Y CB -0.709 37.659 38.460 -0.154 0.000 1.379 2723 Y HN 0.158 nan 8.280 nan 0.000 0.569 2724 N N 0.776 119.146 118.700 -0.551 0.000 2.204 2724 N HA 0.250 4.990 4.740 -0.001 0.000 0.219 2724 N C -0.596 174.184 175.510 -1.217 0.000 1.151 2724 N CA 0.405 53.051 53.050 -0.672 0.000 0.867 2724 N CB 0.844 39.026 38.487 -0.509 0.000 1.043 2724 N HN 0.294 nan 8.380 nan 0.000 0.516 2725 T N -1.464 112.432 114.554 -1.097 0.000 2.754 2725 T HA 0.809 5.159 4.350 -0.001 0.000 0.296 2725 T C -1.222 173.186 174.700 -0.488 0.000 1.205 2725 T CA -0.877 60.699 62.100 -0.872 0.000 1.009 2725 T CB 2.082 70.725 68.868 -0.375 0.000 1.368 2725 T HN -0.073 nan 8.240 nan 0.000 0.509 2726 A N 0.135 122.890 122.820 -0.110 0.000 2.539 2726 A HA 0.749 5.068 4.320 -0.001 0.000 0.296 2726 A C -0.144 177.533 177.584 0.156 0.000 1.073 2726 A CA -0.787 51.374 52.037 0.207 0.000 0.700 2726 A CB 1.310 20.613 19.000 0.504 0.000 1.296 2726 A HN 0.680 nan 8.150 nan 0.000 0.405 2727 N N -0.295 118.512 118.700 0.179 0.000 2.254 2727 N HA 0.085 4.825 4.740 -0.001 0.000 0.190 2727 N C 0.418 176.006 175.510 0.130 0.000 1.107 2727 N CA 0.853 53.977 53.050 0.123 0.000 0.869 2727 N CB 0.113 38.660 38.487 0.101 0.000 0.983 2727 N HN 0.829 nan 8.380 nan 0.000 0.487 2728 c N 0.420 119.122 118.600 0.170 0.000 2.335 2728 c HA 0.453 5.023 4.570 -0.001 0.000 0.363 2728 c C 0.859 175.048 174.090 0.165 0.000 1.198 2728 c CA -0.963 55.456 56.329 0.151 0.000 2.279 2728 c CB 1.128 43.725 42.510 0.146 0.000 2.334 2728 c HN 0.462 nan 8.230 nan 0.000 0.559 2729 E N 0.201 120.485 120.200 0.139 0.000 2.294 2729 E HA -0.238 4.112 4.350 -0.001 0.000 0.228 2729 E C 0.957 177.640 176.600 0.139 0.000 1.253 2729 E CA 0.569 57.051 56.400 0.137 0.000 0.716 2729 E CB -0.933 28.861 29.700 0.156 0.000 1.184 2729 E HN 0.814 nan 8.360 nan 0.000 0.374 2730 I N 1.718 122.360 120.570 0.119 0.000 2.194 2730 I HA -0.291 3.878 4.170 -0.001 0.000 0.246 2730 I C 2.093 178.269 176.117 0.098 0.000 1.093 2730 I CA 2.340 63.704 61.300 0.106 0.000 1.355 2730 I CB -0.317 37.732 38.000 0.081 0.000 1.046 2730 I HN 0.337 nan 8.210 nan 0.000 0.413 2731 N N 0.642 119.395 118.700 0.089 0.000 2.521 2731 N HA -0.155 4.585 4.740 -0.001 0.000 0.188 2731 N C 1.395 176.961 175.510 0.094 0.000 1.146 2731 N CA 0.589 53.688 53.050 0.081 0.000 0.893 2731 N CB -0.204 38.324 38.487 0.068 0.000 0.975 2731 N HN 0.403 nan 8.380 nan 0.000 0.451 2732 K N 0.306 120.774 120.400 0.114 0.000 2.244 2732 K HA 0.278 4.597 4.320 -0.001 0.000 0.200 2732 K C 1.758 178.446 176.600 0.147 0.000 1.052 2732 K CA 0.012 56.375 56.287 0.127 0.000 0.980 2732 K CB 0.139 32.720 32.500 0.135 0.000 0.838 2732 K HN 0.073 nan 8.250 nan 0.000 0.481 2733 L N 1.527 122.852 121.223 0.170 0.000 2.551 2733 L HA -0.136 4.203 4.340 -0.001 0.000 0.230 2733 L C 1.705 178.676 176.870 0.169 0.000 1.163 2733 L CA 0.659 55.621 54.840 0.203 0.000 0.826 2733 L CB -0.526 41.681 42.059 0.246 0.000 0.943 2733 L HN 0.027 nan 8.230 nan 0.000 0.452 2734 V N -3.483 116.511 119.914 0.132 0.000 3.590 2734 V HA 0.047 4.166 4.120 -0.001 0.000 0.265 2734 V C 1.093 177.249 176.094 0.104 0.000 1.239 2734 V CA 0.037 62.402 62.300 0.108 0.000 1.117 2734 V CB -0.620 31.253 31.823 0.085 0.000 0.818 2734 V HN 0.209 nan 8.190 nan 0.000 0.451 2735 K N 2.684 123.154 120.400 0.116 0.000 2.237 2735 K HA 0.293 4.613 4.320 -0.001 0.000 0.270 2735 K C -2.325 174.352 176.600 0.128 0.000 1.015 2735 K CA -1.657 54.699 56.287 0.115 0.000 0.949 2735 K CB 0.537 33.108 32.500 0.118 0.000 0.976 2735 K HN 0.198 nan 8.250 nan 0.000 0.472 2736 P HA 0.002 nan 4.420 nan 0.000 0.271 2736 P C -0.762 176.646 177.300 0.179 0.000 1.218 2736 P CA 0.049 63.228 63.100 0.132 0.000 0.780 2736 P CB 0.574 32.338 31.700 0.107 0.000 0.901 2737 L N 3.179 124.535 121.223 0.222 0.000 2.358 2737 L HA 0.233 4.573 4.340 -0.001 0.000 0.274 2737 L C 1.059 178.150 176.870 0.369 0.000 1.136 2737 L CA -0.429 54.620 54.840 0.348 0.000 0.970 2737 L CB -0.269 41.993 42.059 0.338 0.000 1.314 2737 L HN 0.235 nan 8.230 nan 0.000 0.427 2738 K N 4.243 124.808 120.400 0.275 0.000 2.436 2738 K HA 0.084 4.404 4.320 -0.001 0.000 0.275 2738 K C -1.717 174.960 176.600 0.128 0.000 0.999 2738 K CA -1.037 55.321 56.287 0.118 0.000 0.980 2738 K CB 0.594 33.130 32.500 0.059 0.000 0.919 2738 K HN 0.236 nan 8.250 nan 0.000 0.484 2739 P HA 0.083 nan 4.420 nan 0.000 0.266 2739 P C -0.085 176.910 177.300 -0.508 0.000 1.561 2739 P CA -0.004 62.816 63.100 -0.466 0.000 1.089 2739 P CB 0.138 31.432 31.700 -0.676 0.000 1.534 2740 F N 1.885 121.756 119.950 -0.132 0.000 2.407 2740 F HA -0.073 4.454 4.527 -0.001 0.000 0.299 2740 F C 2.245 178.029 175.800 -0.027 0.000 1.097 2740 F CA 1.008 58.963 58.000 -0.075 0.000 1.422 2740 F CB -1.002 37.943 39.000 -0.091 0.000 1.067 2740 F HN 0.082 nan 8.300 nan 0.000 0.539 2741 N N 1.399 120.169 118.700 0.117 0.000 2.457 2741 N HA -0.077 4.663 4.740 -0.001 0.000 0.180 2741 N C 0.487 176.019 175.510 0.036 0.000 1.050 2741 N CA 0.345 53.445 53.050 0.083 0.000 0.906 2741 N CB -0.491 38.044 38.487 0.081 0.000 0.968 2741 N HN 0.246 nan 8.380 nan 0.000 0.445 2742 L N 1.403 122.622 121.223 -0.006 0.000 2.483 2742 L HA 0.013 4.352 4.340 -0.001 0.000 0.276 2742 L C 1.207 178.077 176.870 0.000 0.000 1.213 2742 L CA -0.238 54.590 54.840 -0.021 0.000 0.843 2742 L CB 0.400 42.417 42.059 -0.070 0.000 1.107 2742 L HN -0.058 nan 8.230 nan 0.000 0.487 2743 D N 0.372 120.774 120.400 0.003 0.000 2.263 2743 D HA -0.116 4.524 4.640 -0.001 0.000 0.208 2743 D C 1.833 178.141 176.300 0.013 0.000 0.971 2743 D CA 1.648 55.655 54.000 0.012 0.000 0.867 2743 D CB 0.121 40.926 40.800 0.009 0.000 0.929 2743 D HN 0.763 nan 8.370 nan 0.000 0.492 2744 T N -1.450 113.106 114.554 0.002 0.000 3.160 2744 T HA -0.068 4.282 4.350 -0.001 0.000 0.257 2744 T C 0.750 175.468 174.700 0.029 0.000 1.147 2744 T CA -0.375 61.729 62.100 0.008 0.000 1.064 2744 T CB -0.224 68.638 68.868 -0.010 0.000 0.949 2744 T HN -0.150 nan 8.240 nan 0.000 0.526 2745 N N 3.087 121.809 118.700 0.037 0.000 2.411 2745 N HA 0.197 4.937 4.740 -0.001 0.000 0.259 2745 N C -1.320 174.244 175.510 0.090 0.000 1.103 2745 N CA -2.431 50.672 53.050 0.088 0.000 0.954 2745 N CB 1.469 40.018 38.487 0.104 0.000 1.085 2745 N HN 0.029 nan 8.380 nan 0.000 0.485 2746 P HA -0.054 nan 4.420 nan 0.000 0.233 2746 P C -0.422 176.920 177.300 0.071 0.000 1.167 2746 P CA 0.427 63.568 63.100 0.068 0.000 0.770 2746 P CB 0.227 31.959 31.700 0.053 0.000 0.837 2747 N N 0.635 119.395 118.700 0.099 0.000 2.439 2747 N HA 0.258 4.998 4.740 -0.001 0.000 0.249 2747 N C 1.012 176.581 175.510 0.099 0.000 1.003 2747 N CA -0.054 53.052 53.050 0.094 0.000 0.942 2747 N CB 1.380 39.934 38.487 0.111 0.000 1.115 2747 N HN -0.155 nan 8.380 nan 0.000 0.505 2748 A N 3.581 126.447 122.820 0.077 0.000 1.969 2748 A HA -0.055 4.265 4.320 -0.001 0.000 0.218 2748 A C 1.914 179.555 177.584 0.095 0.000 1.169 2748 A CA 1.117 53.198 52.037 0.074 0.000 0.635 2748 A CB -0.157 18.877 19.000 0.056 0.000 0.810 2748 A HN 0.510 nan 8.150 nan 0.000 0.445 2749 V N 0.437 120.414 119.914 0.104 0.000 2.283 2749 V HA -0.208 3.911 4.120 -0.001 0.000 0.243 2749 V C 3.016 179.229 176.094 0.198 0.000 1.039 2749 V CA 2.382 64.773 62.300 0.152 0.000 1.016 2749 V CB -1.464 30.416 31.823 0.095 0.000 0.650 2749 V HN 0.804 nan 8.190 nan 0.000 0.449 2750 T N -1.280 113.346 114.554 0.119 0.000 2.788 2750 T HA -0.277 4.072 4.350 -0.001 0.000 0.268 2750 T C 1.865 176.644 174.700 0.131 0.000 1.044 2750 T CA 1.787 63.933 62.100 0.076 0.000 1.139 2750 T CB -0.340 68.533 68.868 0.007 0.000 0.867 2750 T HN 0.451 nan 8.240 nan 0.000 0.454 2751 K N 1.362 121.851 120.400 0.148 0.000 2.148 2751 K HA 0.111 4.430 4.320 -0.001 0.000 0.204 2751 K C 2.496 179.138 176.600 0.069 0.000 1.050 2751 K CA 1.029 57.391 56.287 0.126 0.000 0.942 2751 K CB -0.513 32.049 32.500 0.102 0.000 0.724 2751 K HN 0.446 nan 8.250 nan 0.000 0.446 2752 A N 0.208 123.059 122.820 0.052 0.000 2.066 2752 A HA -0.086 4.234 4.320 -0.001 0.000 0.218 2752 A C 0.386 177.790 177.584 -0.301 0.000 1.157 2752 A CA 1.014 53.000 52.037 -0.086 0.000 0.670 2752 A CB -0.323 18.632 19.000 -0.074 0.000 0.804 2752 A HN 0.410 nan 8.150 nan 0.000 0.453 2753 H N -0.539 118.545 119.070 0.023 0.000 2.505 2753 H HA 0.271 4.826 4.556 -0.001 0.000 0.260 2753 H C 0.745 176.079 175.328 0.011 0.000 1.232 2753 H CA 0.366 56.423 56.048 0.016 0.000 0.991 2753 H CB 0.313 30.073 29.762 -0.003 0.000 1.729 2753 H HN 0.391 nan 8.280 nan 0.000 0.561 2754 S N -0.755 114.988 115.700 0.072 0.000 2.618 2754 S HA 0.097 4.566 4.470 -0.001 0.000 0.242 2754 S C 0.632 175.299 174.600 0.111 0.000 0.972 2754 S CA -0.294 57.966 58.200 0.100 0.000 1.004 2754 S CB -0.392 62.891 63.200 0.137 0.000 0.778 2754 S HN 0.402 nan 8.310 nan 0.000 0.459 2755 T N -3.823 110.794 114.554 0.104 0.000 2.906 2755 T HA 0.695 5.045 4.350 -0.001 0.000 0.295 2755 T C 1.283 176.068 174.700 0.141 0.000 1.061 2755 T CA -0.248 61.926 62.100 0.124 0.000 1.000 2755 T CB 1.225 70.158 68.868 0.108 0.000 1.103 2755 T HN 0.063 nan 8.240 nan 0.000 0.486 2756 G N 0.669 109.566 108.800 0.161 0.000 2.442 2756 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.219 2756 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.219 2756 G C 1.639 176.699 174.900 0.267 0.000 1.141 2756 G CA 0.812 46.008 45.100 0.159 0.000 0.763 2756 G HN 1.202 nan 8.290 nan 0.000 0.554 2757 A N 0.441 123.437 122.820 0.293 0.000 2.070 2757 A HA 0.052 4.371 4.320 -0.001 0.000 0.220 2757 A C 2.450 180.213 177.584 0.298 0.000 1.159 2757 A CA 2.365 54.598 52.037 0.328 0.000 0.656 2757 A CB -0.576 18.536 19.000 0.186 0.000 0.800 2757 A HN 0.543 nan 8.150 nan 0.000 0.453 2758 T N -3.190 111.498 114.554 0.225 0.000 3.069 2758 T HA 0.124 4.473 4.350 -0.001 0.000 0.252 2758 T C 1.109 175.973 174.700 0.274 0.000 1.053 2758 T CA 0.764 62.988 62.100 0.207 0.000 0.964 2758 T CB -0.115 68.804 68.868 0.085 0.000 1.005 2758 T HN 0.451 nan 8.240 nan 0.000 0.532 2759 S N -0.328 115.497 115.700 0.208 0.000 2.568 2759 S HA 0.379 4.848 4.470 -0.001 0.000 0.232 2759 S C 0.876 175.509 174.600 0.056 0.000 0.975 2759 S CA -0.708 57.563 58.200 0.118 0.000 0.949 2759 S CB -0.748 62.490 63.200 0.064 0.000 0.829 2759 S HN 0.322 nan 8.310 nan 0.000 0.479 2760 F N 2.317 122.329 119.950 0.103 0.000 2.234 2760 F HA 0.175 4.702 4.527 -0.001 0.000 0.296 2760 F C 1.311 177.040 175.800 -0.118 0.000 1.089 2760 F CA 0.562 58.579 58.000 0.029 0.000 1.343 2760 F CB 0.040 39.061 39.000 0.035 0.000 1.040 2760 F HN 0.205 nan 8.300 nan 0.000 0.498 2761 D N -0.296 120.162 120.400 0.096 0.000 2.411 2761 D HA -0.005 4.635 4.640 -0.001 0.000 0.225 2761 D C 0.740 176.931 176.300 -0.182 0.000 1.156 2761 D CA -0.301 53.674 54.000 -0.042 0.000 0.874 2761 D CB 0.253 41.042 40.800 -0.019 0.000 1.034 2761 D HN 0.305 nan 8.370 nan 0.000 0.502 2762 Y N 2.003 122.083 120.300 -0.368 0.000 2.439 2762 Y HA -0.035 4.515 4.550 -0.001 0.000 0.292 2762 Y C 1.588 177.099 175.900 -0.648 0.000 1.130 2762 Y CA 1.013 58.778 58.100 -0.558 0.000 1.254 2762 Y CB -0.783 37.286 38.460 -0.652 0.000 1.000 2762 Y HN 0.463 nan 8.280 nan 0.000 0.554 2763 H N 0.761 119.324 119.070 -0.846 0.000 2.421 2763 H HA -0.024 4.532 4.556 -0.001 0.000 0.298 2763 H C 1.582 176.676 175.328 -0.390 0.000 1.087 2763 H CA 1.553 57.218 56.048 -0.639 0.000 1.330 2763 H CB 0.083 29.501 29.762 -0.574 0.000 1.388 2763 H HN 0.325 nan 8.280 nan 0.000 0.526 2764 K N 0.427 120.685 120.400 -0.236 0.000 2.486 2764 K HA 0.024 4.344 4.320 -0.001 0.000 0.194 2764 K C 0.940 177.346 176.600 -0.323 0.000 1.033 2764 K CA 0.371 56.526 56.287 -0.219 0.000 1.004 2764 K CB 0.380 32.773 32.500 -0.178 0.000 0.798 2764 K HN 0.333 nan 8.250 nan 0.000 0.495 2765 L N -0.354 120.657 121.223 -0.352 0.000 2.592 2765 L HA 0.161 4.501 4.340 -0.001 0.000 0.227 2765 L C 0.896 177.701 176.870 -0.109 0.000 1.127 2765 L CA 0.092 54.782 54.840 -0.251 0.000 0.884 2765 L CB 0.023 41.982 42.059 -0.167 0.000 1.065 2765 L HN 0.312 nan 8.230 nan 0.000 0.457 2766 G N 0.641 109.352 108.800 -0.148 0.000 2.176 2766 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.252 2766 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.252 2766 G C -0.120 174.805 174.900 0.043 0.000 1.024 2766 G CA 0.607 45.683 45.100 -0.041 0.000 0.755 2766 G HN 0.522 nan 8.290 nan 0.000 0.507 2767 Y N -2.341 117.947 120.300 -0.020 0.000 2.677 2767 Y HA 0.889 5.438 4.550 -0.001 0.000 0.334 2767 Y C -0.522 175.370 175.900 -0.013 0.000 1.154 2767 Y CA -1.524 56.548 58.100 -0.047 0.000 1.070 2767 Y CB 1.416 39.812 38.460 -0.106 0.000 1.294 2767 Y HN 0.146 nan 8.280 nan 0.000 0.475 2768 D N -1.059 119.420 120.400 0.131 0.000 2.671 2768 D HA 0.333 4.973 4.640 -0.001 0.000 0.273 2768 D C -2.019 174.230 176.300 -0.084 0.000 1.264 2768 D CA -0.668 53.387 54.000 0.092 0.000 0.788 2768 D CB 1.768 42.665 40.800 0.161 0.000 1.324 2768 D HN 0.543 nan 8.370 nan 0.000 0.424 2769 Y N 0.454 120.882 120.300 0.214 0.000 2.453 2769 Y HA 0.179 4.729 4.550 -0.001 0.000 0.326 2769 Y C 1.514 177.519 175.900 0.176 0.000 1.186 2769 Y CA -0.457 57.756 58.100 0.188 0.000 1.200 2769 Y CB 1.091 39.599 38.460 0.080 0.000 1.247 2769 Y HN 0.271 nan 8.280 nan 0.000 0.482 2770 D N -0.065 120.548 120.400 0.355 0.000 2.149 2770 D HA -0.152 4.487 4.640 -0.001 0.000 0.198 2770 D C -0.294 176.132 176.300 0.210 0.000 0.990 2770 D CA 1.749 55.887 54.000 0.230 0.000 0.839 2770 D CB -0.390 40.523 40.800 0.188 0.000 0.948 2770 D HN 0.688 nan 8.370 nan 0.000 0.460 2771 N N -2.131 116.719 118.700 0.251 0.000 3.185 2771 N HA 0.219 4.958 4.740 -0.001 0.000 0.238 2771 N C -1.178 174.393 175.510 0.101 0.000 1.451 2771 N CA -0.804 52.341 53.050 0.158 0.000 0.888 2771 N CB 0.529 39.083 38.487 0.111 0.000 1.413 2771 N HN -0.061 nan 8.380 nan 0.000 0.511 2772 L N -0.230 121.021 121.223 0.047 0.000 3.062 2772 L HA 0.391 4.731 4.340 -0.001 0.000 0.255 2772 L C -0.309 176.568 176.870 0.013 0.000 1.274 2772 L CA -0.344 54.483 54.840 -0.021 0.000 1.047 2772 L CB -0.548 41.494 42.059 -0.027 0.000 1.402 2772 L HN 0.508 nan 8.230 nan 0.000 0.550 2773 N N 1.084 119.806 118.700 0.036 0.000 2.415 2773 N HA 0.089 4.829 4.740 -0.001 0.000 0.250 2773 N C -0.659 174.905 175.510 0.091 0.000 1.127 2773 N CA -0.380 52.703 53.050 0.054 0.000 0.945 2773 N CB 0.571 39.077 38.487 0.033 0.000 1.196 2773 N HN 0.089 nan 8.380 nan 0.000 0.499 2774 F N 2.942 122.890 119.950 -0.002 0.000 2.471 2774 F HA 0.060 4.587 4.527 -0.001 0.000 0.365 2774 F C 0.619 176.512 175.800 0.155 0.000 1.095 2774 F CA 0.040 58.076 58.000 0.060 0.000 1.174 2774 F CB -0.210 38.820 39.000 0.051 0.000 1.105 2774 F HN 0.585 nan 8.300 nan 0.000 0.535 2775 H N 3.733 122.480 119.070 -0.538 0.000 2.756 2775 H HA -0.146 4.410 4.556 -0.001 0.000 0.315 2775 H C 1.281 176.496 175.328 -0.190 0.000 1.210 2775 H CA 0.657 56.458 56.048 -0.411 0.000 1.150 2775 H CB -1.119 28.345 29.762 -0.497 0.000 1.463 2775 H HN 1.083 nan 8.280 nan 0.000 0.427 2776 G N -1.237 107.514 108.800 -0.082 0.000 2.175 2776 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.265 2776 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.265 2776 G C 0.421 175.318 174.900 -0.006 0.000 0.979 2776 G CA 0.592 45.667 45.100 -0.041 0.000 0.663 2776 G HN 0.515 nan 8.290 nan 0.000 0.533 2777 M N 1.612 121.228 119.600 0.027 0.000 2.300 2777 M HA 0.417 4.897 4.480 -0.001 0.000 0.348 2777 M C 1.156 177.474 176.300 0.029 0.000 1.151 2777 M CA -0.145 55.174 55.300 0.032 0.000 1.046 2777 M CB 1.487 34.119 32.600 0.053 0.000 1.647 2777 M HN 0.339 nan 8.290 nan 0.000 0.451 2778 T N -0.796 113.755 114.554 -0.005 0.000 2.813 2778 T HA 0.235 4.585 4.350 -0.001 0.000 0.297 2778 T C 1.386 176.040 174.700 -0.077 0.000 1.036 2778 T CA -0.872 61.204 62.100 -0.040 0.000 1.044 2778 T CB 0.876 69.706 68.868 -0.064 0.000 0.993 2778 T HN 0.475 nan 8.240 nan 0.000 0.535 2779 I N 1.444 121.930 120.570 -0.140 0.000 2.151 2779 I HA -0.062 4.108 4.170 -0.001 0.000 0.243 2779 I C -0.568 175.321 176.117 -0.379 0.000 1.080 2779 I CA 1.172 62.336 61.300 -0.227 0.000 1.339 2779 I CB -2.531 35.307 38.000 -0.270 0.000 1.039 2779 I HN 0.569 nan 8.210 nan 0.000 0.409 2780 P HA -0.099 nan 4.420 nan 0.000 0.221 2780 P C 1.519 178.741 177.300 -0.130 0.000 1.150 2780 P CA 1.145 63.916 63.100 -0.549 0.000 0.800 2780 P CB 0.024 31.467 31.700 -0.430 0.000 0.787 2781 E N -0.750 119.403 120.200 -0.080 0.000 2.072 2781 E HA -0.133 4.217 4.350 -0.001 0.000 0.190 2781 E C 1.799 178.442 176.600 0.071 0.000 0.982 2781 E CA 0.628 57.036 56.400 0.013 0.000 0.803 2781 E CB -0.629 29.077 29.700 0.011 0.000 0.755 2781 E HN 0.093 nan 8.360 nan 0.000 0.453 2782 L N 1.646 122.901 121.223 0.054 0.000 2.083 2782 L HA -0.205 4.134 4.340 -0.001 0.000 0.209 2782 L C 2.217 179.174 176.870 0.145 0.000 1.083 2782 L CA 1.859 56.771 54.840 0.121 0.000 0.752 2782 L CB -0.339 41.773 42.059 0.088 0.000 0.899 2782 L HN -0.000 nan 8.230 nan 0.000 0.433 2783 E N -0.368 119.892 120.200 0.100 0.000 2.077 2783 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 2783 E C 2.036 178.710 176.600 0.123 0.000 0.989 2783 E CA 1.382 57.864 56.400 0.136 0.000 0.800 2783 E CB -0.164 29.698 29.700 0.271 0.000 0.746 2783 E HN 0.434 nan 8.360 nan 0.000 0.452 2784 E N -0.459 119.819 120.200 0.130 0.000 2.110 2784 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 2784 E C 2.039 178.694 176.600 0.093 0.000 0.988 2784 E CA 1.451 57.914 56.400 0.105 0.000 0.804 2784 E CB -0.578 29.188 29.700 0.110 0.000 0.745 2784 E HN 0.546 nan 8.360 nan 0.000 0.458 2785 H N 0.147 119.246 119.070 0.049 0.000 2.389 2785 H HA 0.045 4.601 4.556 -0.001 0.000 0.299 2785 H C 2.058 177.405 175.328 0.032 0.000 1.081 2785 H CA 1.283 57.365 56.048 0.058 0.000 1.345 2785 H CB -0.097 29.729 29.762 0.106 0.000 1.393 2785 H HN 0.042 nan 8.280 nan 0.000 0.520 2786 L N 0.077 121.327 121.223 0.046 0.000 2.156 2786 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 2786 L C 2.449 179.250 176.870 -0.115 0.000 1.095 2786 L CA 0.993 55.814 54.840 -0.031 0.000 0.770 2786 L CB -0.268 41.813 42.059 0.037 0.000 0.914 2786 L HN 0.240 nan 8.230 nan 0.000 0.439 2787 K N 0.338 120.667 120.400 -0.119 0.000 2.057 2787 K HA -0.197 4.123 4.320 -0.001 0.000 0.207 2787 K C 1.943 178.224 176.600 -0.531 0.000 1.049 2787 K CA 1.387 57.529 56.287 -0.243 0.000 0.931 2787 K CB -0.155 32.250 32.500 -0.157 0.000 0.714 2787 K HN 0.368 nan 8.250 nan 0.000 0.440 2788 E N 0.849 120.813 120.200 -0.394 0.000 2.130 2788 E HA -0.198 4.152 4.350 -0.001 0.000 0.196 2788 E C 2.014 178.455 176.600 -0.267 0.000 0.998 2788 E CA 0.883 57.079 56.400 -0.341 0.000 0.806 2788 E CB -0.141 29.466 29.700 -0.155 0.000 0.738 2788 E HN 0.274 nan 8.360 nan 0.000 0.459 2789 I N 0.888 121.312 120.570 -0.244 0.000 2.361 2789 I HA -0.289 3.881 4.170 -0.001 0.000 0.251 2789 I C 1.845 177.912 176.117 -0.084 0.000 1.133 2789 I CA 1.248 62.461 61.300 -0.146 0.000 1.413 2789 I CB 0.075 37.994 38.000 -0.135 0.000 1.073 2789 I HN 0.131 nan 8.210 nan 0.000 0.424 2790 Q N -0.991 118.731 119.800 -0.129 0.000 2.403 2790 Q HA -0.065 4.275 4.340 -0.001 0.000 0.203 2790 Q C 1.119 177.156 176.000 0.062 0.000 0.932 2790 Q CA 0.258 56.042 55.803 -0.033 0.000 0.945 2790 Q CB 0.211 28.924 28.738 -0.040 0.000 1.045 2790 Q HN 0.518 nan 8.270 nan 0.000 0.511 2791 H N 0.331 119.406 119.070 0.008 0.000 2.547 2791 H HA 0.209 4.764 4.556 -0.001 0.000 0.266 2791 H C 0.054 175.385 175.328 0.004 0.000 0.988 2791 H CA 0.361 56.413 56.048 0.007 0.000 1.147 2791 H CB 0.378 30.142 29.762 0.003 0.000 1.365 2791 H HN 0.142 nan 8.280 nan 0.000 0.589 2792 E N 0.793 121.057 120.200 0.105 0.000 2.227 2792 E HA 0.147 4.497 4.350 -0.001 0.000 0.268 2792 E C -0.501 176.121 176.600 0.036 0.000 0.907 2792 E CA -0.712 55.720 56.400 0.052 0.000 0.786 2792 E CB 2.013 31.724 29.700 0.018 0.000 1.191 2792 E HN 0.151 nan 8.360 nan 0.000 0.411 2793 D N 1.816 122.227 120.400 0.017 0.000 2.350 2793 D HA 0.216 4.856 4.640 -0.001 0.000 0.249 2793 D C -0.044 176.231 176.300 -0.041 0.000 1.119 2793 D CA 0.336 54.342 54.000 0.010 0.000 0.886 2793 D CB 0.947 41.750 40.800 0.004 0.000 1.195 2793 D HN 0.121 nan 8.370 nan 0.000 0.437 2794 R N 0.646 121.111 120.500 -0.057 0.000 2.795 2794 R HA 0.634 4.974 4.340 -0.001 0.000 0.275 2794 R C -1.021 175.094 176.300 -0.307 0.000 0.981 2794 R CA -0.983 54.967 56.100 -0.249 0.000 0.917 2794 R CB 2.131 32.193 30.300 -0.397 0.000 1.202 2794 R HN 0.129 nan 8.270 nan 0.000 0.469 2795 V N 2.788 122.415 119.914 -0.478 0.000 2.555 2795 V HA 0.567 4.687 4.120 -0.001 0.000 0.302 2795 V C -0.991 174.715 176.094 -0.646 0.000 1.038 2795 V CA -0.582 61.498 62.300 -0.365 0.000 0.887 2795 V CB 1.463 33.180 31.823 -0.176 0.000 0.991 2795 V HN 0.523 nan 8.190 nan 0.000 0.434 2796 F N 1.770 121.376 119.950 -0.574 0.000 2.577 2796 F HA 0.832 5.359 4.527 -0.001 0.000 0.318 2796 F C 0.376 175.826 175.800 -0.584 0.000 1.065 2796 F CA -0.743 56.854 58.000 -0.671 0.000 0.929 2796 F CB 1.994 40.276 39.000 -1.197 0.000 1.237 2796 F HN 0.545 nan 8.300 nan 0.000 0.468 2797 A N 0.780 123.566 122.820 -0.057 0.000 2.324 2797 A HA 0.813 5.133 4.320 -0.001 0.000 0.330 2797 A C -0.306 177.254 177.584 -0.040 0.000 1.165 2797 A CA -0.455 51.519 52.037 -0.106 0.000 0.813 2797 A CB 0.790 19.712 19.000 -0.130 0.000 1.197 2797 A HN 0.943 nan 8.150 nan 0.000 0.484 2798 G N 0.551 109.305 108.800 -0.075 0.000 2.590 2798 G HA2 0.623 4.582 3.960 -0.001 0.000 0.310 2798 G HA3 0.623 4.582 3.960 -0.001 0.000 0.310 2798 G C -1.245 173.546 174.900 -0.181 0.000 1.347 2798 G CA -0.345 44.800 45.100 0.075 0.000 0.963 2798 G HN 0.400 nan 8.290 nan 0.000 0.494 2799 F N 1.189 121.141 119.950 0.004 0.000 2.482 2799 F HA 0.459 4.986 4.527 -0.001 0.000 0.331 2799 F C 0.258 176.118 175.800 0.099 0.000 1.115 2799 F CA -0.898 57.135 58.000 0.056 0.000 0.955 2799 F CB 2.380 41.421 39.000 0.067 0.000 1.136 2799 F HN 0.075 nan 8.300 nan 0.000 0.452 2800 L N 5.100 126.481 121.223 0.263 0.000 2.257 2800 L HA 0.480 4.820 4.340 -0.001 0.000 0.290 2800 L C -0.863 176.156 176.870 0.248 0.000 1.044 2800 L CA -0.412 54.552 54.840 0.207 0.000 0.810 2800 L CB 0.797 42.932 42.059 0.127 0.000 1.193 2800 L HN 0.551 nan 8.230 nan 0.000 0.425 2801 L N 5.617 127.023 121.223 0.305 0.000 2.334 2801 L HA 0.694 5.034 4.340 -0.001 0.000 0.273 2801 L C -0.193 176.738 176.870 0.103 0.000 1.013 2801 L CA -0.706 54.313 54.840 0.298 0.000 0.816 2801 L CB 1.884 44.239 42.059 0.493 0.000 1.278 2801 L HN 0.622 nan 8.230 nan 0.000 0.431 2802 R N -0.430 119.874 120.500 -0.326 0.000 2.734 2802 R HA 0.481 4.820 4.340 -0.001 0.000 0.271 2802 R C -1.223 174.185 176.300 -1.487 0.000 1.021 2802 R CA -0.882 54.636 56.100 -0.970 0.000 0.893 2802 R CB 0.878 30.888 30.300 -0.483 0.000 1.244 2802 R HN 0.432 nan 8.270 nan 0.000 0.464 2803 T N 2.062 115.335 114.554 -2.134 0.000 2.903 2803 T HA 0.071 4.421 4.350 -0.001 0.000 0.299 2803 T C 1.186 175.476 174.700 -0.685 0.000 1.041 2803 T CA 0.425 61.642 62.100 -1.471 0.000 1.138 2803 T CB -0.055 68.157 68.868 -1.094 0.000 1.040 2803 T HN 0.622 nan 8.240 nan 0.000 0.524 2804 I N -1.025 119.246 120.570 -0.498 0.000 4.225 2804 I HA 0.492 4.661 4.170 -0.001 0.000 0.327 2804 I C 1.280 177.141 176.117 -0.427 0.000 1.422 2804 I CA -0.502 60.448 61.300 -0.583 0.000 1.150 2804 I CB -0.117 37.373 38.000 -0.849 0.000 1.192 2804 I HN 0.824 nan 8.210 nan 0.000 0.440 2805 G N 2.468 111.111 108.800 -0.263 0.000 2.225 2805 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.267 2805 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.267 2805 G C -0.094 174.701 174.900 -0.175 0.000 1.024 2805 G CA 0.910 45.907 45.100 -0.172 0.000 0.784 2805 G HN 0.893 nan 8.290 nan 0.000 0.507 2806 Q N -2.483 117.203 119.800 -0.190 0.000 2.829 2806 Q HA 0.601 4.941 4.340 -0.001 0.000 0.296 2806 Q C -0.870 175.033 176.000 -0.162 0.000 0.893 2806 Q CA -0.727 54.970 55.803 -0.178 0.000 0.772 2806 Q CB 0.109 28.750 28.738 -0.162 0.000 1.489 2806 Q HN 0.302 nan 8.270 nan 0.000 0.420 2807 S N -0.267 115.347 115.700 -0.144 0.000 2.616 2807 S HA 0.915 5.385 4.470 -0.001 0.000 0.277 2807 S C -0.789 173.746 174.600 -0.109 0.000 1.234 2807 S CA 0.118 58.242 58.200 -0.127 0.000 1.028 2807 S CB 1.334 64.466 63.200 -0.114 0.000 0.988 2807 S HN 0.748 nan 8.310 nan 0.000 0.522 2808 A N 1.929 124.684 122.820 -0.109 0.000 2.605 2808 A HA 0.634 4.953 4.320 -0.001 0.000 0.294 2808 A C -2.025 175.487 177.584 -0.119 0.000 1.062 2808 A CA -0.888 51.092 52.037 -0.097 0.000 0.682 2808 A CB 1.156 20.090 19.000 -0.111 0.000 1.278 2808 A HN 0.621 nan 8.150 nan 0.000 0.410 2809 D N 0.712 121.060 120.400 -0.086 0.000 2.192 2809 D HA 0.556 5.196 4.640 -0.001 0.000 0.246 2809 D C -0.681 175.517 176.300 -0.170 0.000 1.042 2809 D CA -0.032 53.911 54.000 -0.096 0.000 0.847 2809 D CB 2.040 42.873 40.800 0.057 0.000 1.186 2809 D HN 0.247 nan 8.370 nan 0.000 0.461 2810 V N 3.122 122.816 119.914 -0.366 0.000 2.459 2810 V HA 0.442 4.561 4.120 -0.001 0.000 0.295 2810 V C 0.004 176.026 176.094 -0.120 0.000 1.029 2810 V CA -0.812 61.246 62.300 -0.404 0.000 0.874 2810 V CB 1.700 32.884 31.823 -1.065 0.000 0.985 2810 V HN 0.422 nan 8.190 nan 0.000 0.438 2811 N N 3.758 122.503 118.700 0.074 0.000 2.238 2811 N HA 0.723 5.463 4.740 -0.001 0.000 0.302 2811 N C -1.343 174.338 175.510 0.285 0.000 1.072 2811 N CA -0.274 52.898 53.050 0.202 0.000 0.792 2811 N CB 3.051 41.658 38.487 0.199 0.000 1.425 2811 N HN 0.650 nan 8.380 nan 0.000 0.478 2812 F N -1.007 118.924 119.950 -0.032 0.000 2.641 2812 F HA 0.562 5.089 4.527 -0.000 0.000 0.308 2812 F C -1.469 174.264 175.800 -0.112 0.000 1.105 2812 F CA -1.004 56.990 58.000 -0.009 0.000 0.964 2812 F CB 1.408 40.469 39.000 0.102 0.000 1.294 2812 F HN 0.093 nan 8.300 nan 0.000 0.442 2813 D N 1.962 122.369 120.400 0.013 0.000 2.457 2813 D HA 0.537 5.177 4.640 -0.001 0.000 0.240 2813 D C -0.866 175.460 176.300 0.043 0.000 1.041 2813 D CA -0.439 53.515 54.000 -0.077 0.000 0.861 2813 D CB 3.024 43.834 40.800 0.017 0.000 1.394 2813 D HN 0.451 nan 8.370 nan 0.000 0.473 2814 V N 1.000 120.901 119.914 -0.021 0.000 2.481 2814 V HA 0.392 4.512 4.120 -0.001 0.000 0.286 2814 V C 0.006 176.119 176.094 0.031 0.000 1.042 2814 V CA -0.426 61.894 62.300 0.032 0.000 0.928 2814 V CB 1.300 33.065 31.823 -0.096 0.000 0.986 2814 V HN 0.701 nan 8.190 nan 0.000 0.462 2815 c N 2.939 121.601 118.600 0.103 0.000 2.547 2815 c HA 0.624 5.193 4.570 -0.001 0.000 0.313 2815 c C 0.628 174.802 174.090 0.140 0.000 1.191 2815 c CA -0.914 55.470 56.329 0.092 0.000 1.474 2815 c CB 1.452 44.016 42.510 0.090 0.000 2.081 2815 c HN 0.972 nan 8.230 nan 0.000 0.476 2816 T N 0.713 115.325 114.554 0.098 0.000 2.860 2816 T HA 0.168 4.518 4.350 -0.001 0.000 0.299 2816 T C 1.195 175.958 174.700 0.105 0.000 1.045 2816 T CA -0.356 61.816 62.100 0.120 0.000 1.071 2816 T CB 0.767 69.679 68.868 0.073 0.000 0.985 2816 T HN 0.641 nan 8.240 nan 0.000 0.537 2817 K N 1.258 121.719 120.400 0.101 0.000 2.113 2817 K HA -0.167 4.153 4.320 -0.001 0.000 0.208 2817 K C 1.877 178.506 176.600 0.048 0.000 1.047 2817 K CA 1.898 58.225 56.287 0.067 0.000 0.928 2817 K CB -0.545 31.985 32.500 0.051 0.000 0.716 2817 K HN 0.881 nan 8.250 nan 0.000 0.446 2818 D N -0.640 119.787 120.400 0.044 0.000 2.350 2818 D HA -0.086 4.554 4.640 -0.001 0.000 0.216 2818 D C 1.121 177.440 176.300 0.032 0.000 0.968 2818 D CA 1.235 55.254 54.000 0.032 0.000 0.894 2818 D CB -0.120 40.697 40.800 0.028 0.000 0.909 2818 D HN 0.324 nan 8.370 nan 0.000 0.520 2819 G N 0.503 109.327 108.800 0.040 0.000 2.148 2819 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.203 2819 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.203 2819 G C -0.187 174.732 174.900 0.032 0.000 0.993 2819 G CA 0.070 45.191 45.100 0.036 0.000 0.661 2819 G HN 0.579 nan 8.290 nan 0.000 0.518 2820 E N 0.336 120.555 120.200 0.033 0.000 2.229 2820 E HA 0.520 4.870 4.350 -0.001 0.000 0.283 2820 E C 0.192 176.806 176.600 0.023 0.000 1.030 2820 E CA -0.359 56.056 56.400 0.025 0.000 0.836 2820 E CB 0.431 30.146 29.700 0.025 0.000 1.068 2820 E HN 0.308 nan 8.360 nan 0.000 0.401 2821 c N 2.722 121.330 118.600 0.013 0.000 2.719 2821 c HA 0.767 5.337 4.570 -0.001 0.000 0.327 2821 c C 0.013 174.090 174.090 -0.020 0.000 1.238 2821 c CA -0.656 55.677 56.329 0.006 0.000 1.727 2821 c CB 1.529 44.051 42.510 0.020 0.000 2.256 2821 c HN 0.811 nan 8.230 nan 0.000 0.489 2822 T N -0.049 114.482 114.554 -0.038 0.000 2.923 2822 T HA 0.491 4.841 4.350 -0.001 0.000 0.311 2822 T C -1.053 173.615 174.700 -0.053 0.000 1.183 2822 T CA -0.285 61.775 62.100 -0.068 0.000 1.020 2822 T CB 0.761 69.541 68.868 -0.146 0.000 1.165 2822 T HN 0.512 nan 8.240 nan 0.000 0.482 2823 F N 3.737 123.576 119.950 -0.186 0.000 2.612 2823 F HA 0.440 4.967 4.527 -0.000 0.000 0.389 2823 F C 1.201 176.827 175.800 -0.290 0.000 1.055 2823 F CA 0.936 58.801 58.000 -0.225 0.000 1.232 2823 F CB 0.533 39.416 39.000 -0.194 0.000 1.044 2823 F HN 0.707 nan 8.300 nan 0.000 0.560 2824 G N 3.166 111.255 108.800 -1.185 0.000 2.524 2824 G HA2 0.460 4.419 3.960 -0.001 0.000 0.210 2824 G HA3 0.460 4.419 3.960 -0.001 0.000 0.210 2824 G C 0.422 174.295 174.900 -1.711 0.000 1.187 2824 G CA 0.506 44.832 45.100 -1.289 0.000 0.825 2824 G HN 1.212 nan 8.290 nan 0.000 0.558 2825 G N -2.086 105.188 108.800 -2.543 0.000 2.320 2825 G HA2 0.498 4.457 3.960 -0.001 0.000 0.296 2825 G HA3 0.498 4.457 3.960 -0.001 0.000 0.296 2825 G C -1.460 173.090 174.900 -0.582 0.000 1.306 2825 G CA 0.125 44.390 45.100 -1.391 0.000 0.836 2825 G HN 0.669 nan 8.290 nan 0.000 0.517 2826 T N -0.456 114.267 114.554 0.282 0.000 2.933 2826 T HA 0.759 5.108 4.350 -0.001 0.000 0.305 2826 T C -1.029 174.144 174.700 0.788 0.000 1.092 2826 T CA -0.510 61.889 62.100 0.499 0.000 1.008 2826 T CB 1.749 70.901 68.868 0.473 0.000 1.102 2826 T HN 1.622 nan 8.240 nan 0.000 0.469 2827 F N -1.225 118.908 119.950 0.306 0.000 2.645 2827 F HA 0.860 5.387 4.527 -0.001 0.000 0.310 2827 F C -1.289 174.507 175.800 -0.007 0.000 1.102 2827 F CA -1.554 56.548 58.000 0.171 0.000 0.952 2827 F CB 0.489 39.563 39.000 0.124 0.000 1.326 2827 F HN 0.724 nan 8.300 nan 0.000 0.456 2828 C N 1.707 120.977 119.300 -0.050 0.000 2.667 2828 C HA 0.818 5.277 4.460 -0.001 0.000 0.323 2828 C C -0.376 174.520 174.990 -0.157 0.000 1.214 2828 C CA -0.954 57.956 59.018 -0.180 0.000 1.721 2828 C CB 1.684 29.285 27.740 -0.231 0.000 2.275 2828 C HN 0.795 nan 8.230 nan 0.000 0.491 2829 I N 2.079 122.555 120.570 -0.157 0.000 2.447 2829 I HA 0.352 4.521 4.170 -0.001 0.000 0.287 2829 I C -0.840 175.183 176.117 -0.157 0.000 1.023 2829 I CA -0.389 60.843 61.300 -0.113 0.000 1.083 2829 I CB 1.497 39.485 38.000 -0.021 0.000 1.245 2829 I HN 0.448 nan 8.210 nan 0.000 0.434 2830 L N 7.079 128.164 121.223 -0.231 0.000 2.275 2830 L HA 0.906 5.246 4.340 -0.001 0.000 0.288 2830 L C 0.034 176.739 176.870 -0.275 0.000 1.046 2830 L CA 0.534 55.204 54.840 -0.283 0.000 0.805 2830 L CB 1.042 42.844 42.059 -0.428 0.000 1.193 2830 L HN 0.690 nan 8.230 nan 0.000 0.426 2831 G N 2.161 110.828 108.800 -0.222 0.000 2.548 2831 G HA2 0.708 4.668 3.960 -0.001 0.000 0.301 2831 G HA3 0.708 4.668 3.960 -0.001 0.000 0.301 2831 G C -1.139 173.630 174.900 -0.218 0.000 1.349 2831 G CA -0.198 44.786 45.100 -0.194 0.000 0.792 2831 G HN 1.009 nan 8.290 nan 0.000 0.481 2832 G N -1.327 107.349 108.800 -0.207 0.000 2.451 2832 G HA2 0.518 4.478 3.960 -0.001 0.000 0.292 2832 G HA3 0.518 4.478 3.960 -0.001 0.000 0.292 2832 G C -1.207 173.588 174.900 -0.176 0.000 1.427 2832 G CA -0.524 44.378 45.100 -0.330 0.000 0.792 2832 G HN 0.680 nan 8.290 nan 0.000 0.498 2833 E N -0.651 119.440 120.200 -0.182 0.000 2.437 2833 E HA 0.253 4.603 4.350 -0.001 0.000 0.263 2833 E C 0.450 177.032 176.600 -0.030 0.000 1.030 2833 E CA 0.642 56.940 56.400 -0.170 0.000 0.934 2833 E CB 0.070 29.642 29.700 -0.214 0.000 0.943 2833 E HN 0.713 nan 8.360 nan 0.000 0.444 2834 H N -0.829 118.337 119.070 0.159 0.000 3.211 2834 H HA -0.230 4.325 4.556 -0.001 0.000 0.240 2834 H C -0.226 175.199 175.328 0.162 0.000 1.148 2834 H CA 0.926 57.072 56.048 0.163 0.000 1.160 2834 H CB -1.635 28.199 29.762 0.120 0.000 1.232 2834 H HN 0.649 nan 8.280 nan 0.000 0.321 2835 E N 2.124 122.427 120.200 0.173 0.000 2.392 2835 E HA 0.256 4.605 4.350 -0.001 0.000 0.259 2835 E C 0.929 177.619 176.600 0.150 0.000 1.108 2835 E CA -0.343 56.137 56.400 0.134 0.000 0.916 2835 E CB 0.918 30.661 29.700 0.071 0.000 0.989 2835 E HN 0.456 nan 8.360 nan 0.000 0.432 2836 M N 1.086 120.754 119.600 0.114 0.000 2.255 2836 M HA 0.314 4.794 4.480 -0.001 0.000 0.336 2836 M C -0.433 175.958 176.300 0.151 0.000 1.135 2836 M CA -0.788 54.558 55.300 0.076 0.000 1.145 2836 M CB 0.501 33.035 32.600 -0.109 0.000 1.473 2836 M HN 0.599 nan 8.290 nan 0.000 0.462 2837 F N 4.505 124.464 119.950 0.015 0.000 2.572 2837 F HA 0.340 4.867 4.527 -0.001 0.000 0.370 2837 F C -0.817 175.018 175.800 0.057 0.000 1.103 2837 F CA 0.245 58.219 58.000 -0.042 0.000 1.286 2837 F CB 0.492 39.440 39.000 -0.087 0.000 1.105 2837 F HN 0.709 nan 8.300 nan 0.000 0.583 2838 W N 5.151 125.725 121.300 -1.211 0.000 3.372 2838 W HA 0.761 5.420 4.660 -0.001 0.000 0.315 2838 W C -2.306 173.580 176.519 -1.055 0.000 1.223 2838 W CA -1.540 55.253 57.345 -0.920 0.000 1.202 2838 W CB 0.977 30.092 29.460 -0.576 0.000 1.367 2838 W HN 0.849 nan 8.180 nan 0.000 0.531 2839 A N 3.467 126.029 122.820 -0.431 0.000 2.456 2839 A HA 0.659 4.978 4.320 -0.001 0.000 0.288 2839 A C -1.676 175.931 177.584 0.039 0.000 1.042 2839 A CA -0.616 51.271 52.037 -0.250 0.000 0.738 2839 A CB 0.787 19.702 19.000 -0.142 0.000 1.266 2839 A HN 0.447 nan 8.150 nan 0.000 0.407 2840 F N 1.643 121.701 119.950 0.180 0.000 2.490 2840 F HA 0.208 4.734 4.527 -0.001 0.000 0.336 2840 F C 1.667 177.512 175.800 0.075 0.000 1.178 2840 F CA 0.786 58.856 58.000 0.116 0.000 1.301 2840 F CB 0.893 39.952 39.000 0.098 0.000 1.175 2840 F HN 0.716 nan 8.300 nan 0.000 0.593 2841 D N 0.326 120.896 120.400 0.283 0.000 2.368 2841 D HA 0.068 4.708 4.640 -0.001 0.000 0.218 2841 D C 0.092 176.453 176.300 0.101 0.000 1.112 2841 D CA -0.075 54.020 54.000 0.158 0.000 0.834 2841 D CB 0.073 40.950 40.800 0.129 0.000 0.953 2841 D HN 0.658 nan 8.370 nan 0.000 0.505 2842 R N -1.047 119.511 120.500 0.096 0.000 2.747 2842 R HA 0.488 4.827 4.340 -0.001 0.000 0.272 2842 R C -1.032 175.269 176.300 0.002 0.000 1.032 2842 R CA -0.973 55.134 56.100 0.011 0.000 0.896 2842 R CB 0.536 30.813 30.300 -0.038 0.000 1.253 2842 R HN -0.112 nan 8.270 nan 0.000 0.461 2843 L N 1.187 122.383 121.223 -0.045 0.000 2.395 2843 L HA 0.388 4.727 4.340 -0.001 0.000 0.269 2843 L C -0.188 176.667 176.870 -0.025 0.000 1.133 2843 L CA -0.737 54.096 54.840 -0.012 0.000 0.812 2843 L CB 0.403 42.429 42.059 -0.055 0.000 1.125 2843 L HN 0.459 nan 8.230 nan 0.000 0.452 2844 F N 3.146 123.027 119.950 -0.115 0.000 2.411 2844 F HA 0.361 4.888 4.527 -0.001 0.000 0.355 2844 F C -0.161 175.618 175.800 -0.035 0.000 1.117 2844 F CA -0.853 57.031 58.000 -0.194 0.000 1.139 2844 F CB 0.463 39.295 39.000 -0.280 0.000 1.120 2844 F HN 0.289 nan 8.300 nan 0.000 0.493 2845 K N 5.983 125.960 120.400 -0.705 0.000 2.143 2845 K HA 0.307 4.627 4.320 -0.001 0.000 0.272 2845 K C -1.781 174.415 176.600 -0.672 0.000 1.001 2845 K CA -0.716 55.280 56.287 -0.485 0.000 0.915 2845 K CB 1.574 33.854 32.500 -0.367 0.000 1.047 2845 K HN 0.654 nan 8.250 nan 0.000 0.458 2846 Y N 1.849 121.988 120.300 -0.268 0.000 2.331 2846 Y HA 0.074 4.624 4.550 -0.001 0.000 0.326 2846 Y C -0.838 175.133 175.900 0.119 0.000 1.020 2846 Y CA -1.377 56.667 58.100 -0.093 0.000 1.136 2846 Y CB 1.193 39.664 38.460 0.017 0.000 1.157 2846 Y HN 0.618 nan 8.280 nan 0.000 0.444 2847 D N 6.293 126.772 120.400 0.131 0.000 2.382 2847 D HA 0.054 4.694 4.640 -0.001 0.000 0.259 2847 D C 0.703 177.007 176.300 0.007 0.000 1.224 2847 D CA 0.439 54.306 54.000 -0.221 0.000 0.894 2847 D CB 0.553 41.166 40.800 -0.312 0.000 1.127 2847 D HN 0.715 nan 8.370 nan 0.000 0.487 2848 I N 0.592 121.100 120.570 -0.103 0.000 3.936 2848 I HA 0.110 4.280 4.170 -0.001 0.000 0.330 2848 I C 1.206 177.247 176.117 -0.127 0.000 1.509 2848 I CA -0.579 60.706 61.300 -0.024 0.000 1.126 2848 I CB 0.228 38.253 38.000 0.042 0.000 1.115 2848 I HN 0.040 nan 8.210 nan 0.000 0.424 2849 T N 1.313 115.746 114.554 -0.203 0.000 2.685 2849 T HA -0.199 4.151 4.350 -0.001 0.000 0.268 2849 T C 1.807 176.444 174.700 -0.105 0.000 1.034 2849 T CA 2.679 64.671 62.100 -0.180 0.000 1.149 2849 T CB -0.389 68.354 68.868 -0.208 0.000 0.860 2849 T HN 0.493 nan 8.240 nan 0.000 0.449 2850 T N 1.538 116.054 114.554 -0.063 0.000 2.777 2850 T HA -0.064 4.286 4.350 -0.001 0.000 0.266 2850 T C 2.433 177.147 174.700 0.024 0.000 1.040 2850 T CA 1.358 63.456 62.100 -0.003 0.000 1.141 2850 T CB -0.320 68.571 68.868 0.038 0.000 0.868 2850 T HN 0.344 nan 8.240 nan 0.000 0.444 2851 S N 1.208 116.895 115.700 -0.022 0.000 2.383 2851 S HA 0.083 4.553 4.470 -0.001 0.000 0.227 2851 S C 2.024 176.582 174.600 -0.071 0.000 1.026 2851 S CA 0.689 58.865 58.200 -0.041 0.000 0.981 2851 S CB -0.376 62.752 63.200 -0.120 0.000 0.818 2851 S HN 0.346 nan 8.310 nan 0.000 0.472 2852 L N 1.345 122.476 121.223 -0.153 0.000 1.994 2852 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 2852 L C 2.465 179.272 176.870 -0.105 0.000 1.071 2852 L CA 1.123 55.831 54.840 -0.220 0.000 0.745 2852 L CB -0.590 41.311 42.059 -0.263 0.000 0.892 2852 L HN 0.210 nan 8.230 nan 0.000 0.431 2853 K N -0.832 119.527 120.400 -0.069 0.000 2.218 2853 K HA -0.220 4.100 4.320 -0.001 0.000 0.205 2853 K C 2.011 178.573 176.600 -0.063 0.000 1.046 2853 K CA 1.234 57.486 56.287 -0.059 0.000 0.933 2853 K CB -0.553 31.911 32.500 -0.061 0.000 0.728 2853 K HN 0.426 nan 8.250 nan 0.000 0.454 2854 H N 0.642 119.674 119.070 -0.063 0.000 2.307 2854 H HA 0.070 4.626 4.556 -0.001 0.000 0.303 2854 H C 1.917 177.217 175.328 -0.046 0.000 1.073 2854 H CA 1.091 57.111 56.048 -0.046 0.000 1.338 2854 H CB 0.040 29.777 29.762 -0.041 0.000 1.389 2854 H HN 0.055 nan 8.280 nan 0.000 0.503 2855 L N 0.186 121.466 121.223 0.096 0.000 2.622 2855 L HA -0.018 4.322 4.340 -0.001 0.000 0.233 2855 L C 1.010 177.883 176.870 0.005 0.000 1.156 2855 L CA 0.342 55.204 54.840 0.037 0.000 0.866 2855 L CB -0.011 42.035 42.059 -0.022 0.000 0.980 2855 L HN 0.198 nan 8.230 nan 0.000 0.448 2856 R N -0.352 120.140 120.500 -0.014 0.000 3.776 2856 R HA -0.155 4.184 4.340 -0.001 0.000 0.312 2856 R C -0.415 175.877 176.300 -0.014 0.000 1.181 2856 R CA 0.312 56.399 56.100 -0.021 0.000 0.836 2856 R CB -1.826 28.467 30.300 -0.012 0.000 1.324 2856 R HN 0.245 nan 8.270 nan 0.000 0.501 2857 L N -0.031 121.167 121.223 -0.041 0.000 2.395 2857 L HA 0.303 4.643 4.340 -0.001 0.000 0.269 2857 L C 0.867 177.747 176.870 0.017 0.000 1.133 2857 L CA -0.180 54.647 54.840 -0.022 0.000 0.812 2857 L CB 0.740 42.706 42.059 -0.155 0.000 1.125 2857 L HN 0.107 nan 8.230 nan 0.000 0.452 2858 D N 0.703 121.175 120.400 0.121 0.000 2.332 2858 D HA 0.288 4.928 4.640 -0.001 0.000 0.252 2858 D C 0.547 177.029 176.300 0.303 0.000 1.050 2858 D CA -0.082 54.036 54.000 0.195 0.000 0.970 2858 D CB 2.194 43.141 40.800 0.245 0.000 1.141 2858 D HN 0.575 nan 8.370 nan 0.000 0.485 2859 A N 1.961 124.933 122.820 0.253 0.000 1.940 2859 A HA -0.237 4.083 4.320 -0.001 0.000 0.219 2859 A C 1.470 179.225 177.584 0.285 0.000 1.176 2859 A CA 1.684 53.856 52.037 0.225 0.000 0.631 2859 A CB -0.866 18.158 19.000 0.041 0.000 0.814 2859 A HN 0.707 nan 8.150 nan 0.000 0.446 2860 H N 0.121 119.259 119.070 0.114 0.000 2.529 2860 H HA 0.157 4.712 4.556 -0.001 0.000 0.277 2860 H C -0.130 175.235 175.328 0.062 0.000 0.999 2860 H CA -0.309 55.778 56.048 0.064 0.000 1.256 2860 H CB -1.045 28.739 29.762 0.038 0.000 1.402 2860 H HN 0.289 nan 8.280 nan 0.000 0.566 2861 D N 1.732 122.318 120.400 0.310 0.000 2.449 2861 D HA -0.018 4.621 4.640 -0.001 0.000 0.236 2861 D C 0.003 176.376 176.300 0.122 0.000 1.149 2861 D CA 0.310 54.439 54.000 0.216 0.000 0.878 2861 D CB 0.576 41.542 40.800 0.277 0.000 1.198 2861 D HN 0.273 nan 8.370 nan 0.000 0.446 2862 D N 0.900 121.323 120.400 0.039 0.000 2.295 2862 D HA 0.321 4.961 4.640 -0.001 0.000 0.248 2862 D C -0.887 175.423 176.300 0.017 0.000 1.154 2862 D CA -0.267 53.673 54.000 -0.100 0.000 0.857 2862 D CB -0.069 40.701 40.800 -0.050 0.000 1.117 2862 D HN 0.224 nan 8.370 nan 0.000 0.468 2863 F N 0.549 120.514 119.950 0.024 0.000 2.685 2863 F HA 0.586 5.112 4.527 -0.001 0.000 0.315 2863 F C -0.892 174.923 175.800 0.023 0.000 1.126 2863 F CA -1.123 56.891 58.000 0.024 0.000 0.950 2863 F CB 1.163 40.179 39.000 0.027 0.000 1.360 2863 F HN -0.018 nan 8.300 nan 0.000 0.469 2864 D N 1.429 121.991 120.400 0.271 0.000 2.350 2864 D HA 0.516 5.156 4.640 -0.001 0.000 0.238 2864 D C -0.763 175.686 176.300 0.248 0.000 0.989 2864 D CA -0.170 53.930 54.000 0.167 0.000 0.921 2864 D CB 2.938 43.799 40.800 0.101 0.000 1.297 2864 D HN 0.376 nan 8.370 nan 0.000 0.490 2865 I N 1.308 121.990 120.570 0.186 0.000 2.389 2865 I HA 0.203 4.373 4.170 -0.001 0.000 0.288 2865 I C -0.088 176.138 176.117 0.183 0.000 0.999 2865 I CA -0.678 60.755 61.300 0.222 0.000 1.129 2865 I CB 1.497 39.605 38.000 0.180 0.000 1.288 2865 I HN -0.003 nan 8.210 nan 0.000 0.444 2866 K N 4.940 125.462 120.400 0.203 0.000 2.240 2866 K HA 0.522 4.841 4.320 -0.001 0.000 0.271 2866 K C -0.829 175.910 176.600 0.231 0.000 1.018 2866 K CA -0.300 56.089 56.287 0.169 0.000 0.874 2866 K CB 1.492 34.066 32.500 0.124 0.000 1.098 2866 K HN 0.320 nan 8.250 nan 0.000 0.458 2867 V N 3.030 123.068 119.914 0.206 0.000 2.459 2867 V HA 0.476 4.595 4.120 -0.001 0.000 0.295 2867 V C -0.408 175.779 176.094 0.156 0.000 1.029 2867 V CA -0.722 61.718 62.300 0.234 0.000 0.874 2867 V CB 1.988 33.960 31.823 0.248 0.000 0.985 2867 V HN 0.736 nan 8.190 nan 0.000 0.438 2868 T N 6.036 120.674 114.554 0.140 0.000 2.847 2868 T HA 0.584 4.934 4.350 -0.001 0.000 0.291 2868 T C -0.351 174.386 174.700 0.063 0.000 0.998 2868 T CA -0.142 62.013 62.100 0.090 0.000 0.967 2868 T CB 0.750 69.666 68.868 0.081 0.000 0.954 2868 T HN 0.387 nan 8.240 nan 0.000 0.441 2869 I N 3.469 124.073 120.570 0.056 0.000 2.315 2869 I HA 0.433 4.603 4.170 -0.001 0.000 0.291 2869 I C 0.276 176.418 176.117 0.041 0.000 1.006 2869 I CA -0.586 60.734 61.300 0.033 0.000 1.265 2869 I CB 1.144 39.190 38.000 0.076 0.000 1.387 2869 I HN 0.271 nan 8.210 nan 0.000 0.475 2870 K N 3.795 124.206 120.400 0.018 0.000 2.324 2870 K HA 0.539 4.858 4.320 -0.001 0.000 0.253 2870 K C 0.070 176.686 176.600 0.027 0.000 0.932 2870 K CA -0.546 55.763 56.287 0.037 0.000 0.799 2870 K CB 2.204 34.726 32.500 0.036 0.000 1.154 2870 K HN 0.741 nan 8.250 nan 0.000 0.425 2871 G N 1.633 110.462 108.800 0.049 0.000 2.667 2871 G HA2 0.111 4.071 3.960 -0.001 0.000 0.250 2871 G HA3 0.111 4.071 3.960 -0.001 0.000 0.250 2871 G C 1.071 175.980 174.900 0.015 0.000 1.212 2871 G CA -0.439 44.674 45.100 0.021 0.000 0.874 2871 G HN 0.788 nan 8.290 nan 0.000 0.561 2872 I N -1.679 118.886 120.570 -0.009 0.000 2.614 2872 I HA -0.031 4.138 4.170 -0.001 0.000 0.258 2872 I C 1.807 177.924 176.117 0.001 0.000 1.189 2872 I CA 1.484 62.786 61.300 0.003 0.000 1.462 2872 I CB -0.291 37.706 38.000 -0.006 0.000 1.092 2872 I HN 0.423 nan 8.210 nan 0.000 0.442 2873 D N 1.653 122.038 120.400 -0.026 0.000 2.183 2873 D HA 0.003 4.643 4.640 -0.001 0.000 0.203 2873 D C 1.813 178.131 176.300 0.030 0.000 0.969 2873 D CA 1.478 55.450 54.000 -0.046 0.000 0.842 2873 D CB -0.346 40.351 40.800 -0.171 0.000 0.957 2873 D HN 0.523 nan 8.370 nan 0.000 0.484 2874 G N -1.044 107.811 108.800 0.092 0.000 2.370 2874 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.174 2874 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.174 2874 G C -0.500 174.546 174.900 0.244 0.000 1.002 2874 G CA -0.463 44.725 45.100 0.148 0.000 0.730 2874 G HN 0.397 nan 8.290 nan 0.000 0.497 2875 H N 0.603 119.676 119.070 0.004 0.000 2.646 2875 H HA 0.520 5.076 4.556 -0.001 0.000 0.325 2875 H C 0.613 175.952 175.328 0.017 0.000 1.075 2875 H CA -0.397 55.657 56.048 0.009 0.000 1.421 2875 H CB 1.407 31.175 29.762 0.011 0.000 1.461 2875 H HN 0.090 nan 8.280 nan 0.000 0.525 2876 V N 5.799 125.748 119.914 0.058 0.000 2.521 2876 V HA 0.017 4.136 4.120 -0.001 0.000 0.286 2876 V C 0.725 176.862 176.094 0.072 0.000 1.034 2876 V CA -0.035 62.294 62.300 0.049 0.000 1.045 2876 V CB -0.089 31.741 31.823 0.011 0.000 0.974 2876 V HN 0.504 nan 8.190 nan 0.000 0.480 2877 L N 3.546 124.828 121.223 0.097 0.000 2.387 2877 L HA 0.444 4.783 4.340 -0.001 0.000 0.266 2877 L C 0.805 177.720 176.870 0.075 0.000 1.059 2877 L CA -0.303 54.620 54.840 0.137 0.000 0.801 2877 L CB 1.405 43.624 42.059 0.266 0.000 1.223 2877 L HN 0.653 nan 8.230 nan 0.000 0.456 2878 S N 0.575 116.260 115.700 -0.026 0.000 2.537 2878 S HA 0.001 4.471 4.470 -0.001 0.000 0.286 2878 S C 0.937 175.495 174.600 -0.070 0.000 1.299 2878 S CA -0.476 57.646 58.200 -0.130 0.000 1.067 2878 S CB 0.129 63.134 63.200 -0.325 0.000 0.864 2878 S HN 0.575 nan 8.310 nan 0.000 0.494 2879 N N 3.743 122.431 118.700 -0.020 0.000 2.626 2879 N HA 0.016 4.755 4.740 -0.001 0.000 0.193 2879 N C 1.213 176.732 175.510 0.016 0.000 1.213 2879 N CA 0.378 53.447 53.050 0.032 0.000 0.914 2879 N CB -0.001 38.511 38.487 0.041 0.000 0.994 2879 N HN 0.636 nan 8.380 nan 0.000 0.447 2880 K N -0.768 119.591 120.400 -0.068 0.000 2.305 2880 K HA -0.013 4.307 4.320 -0.001 0.000 0.199 2880 K C 0.898 177.482 176.600 -0.026 0.000 1.047 2880 K CA 0.361 56.598 56.287 -0.083 0.000 0.976 2880 K CB 0.148 32.538 32.500 -0.184 0.000 0.765 2880 K HN 0.110 nan 8.250 nan 0.000 0.474 2881 Y N 0.692 120.995 120.300 0.004 0.000 2.293 2881 Y HA -0.041 4.509 4.550 -0.001 0.000 0.291 2881 Y C 0.987 176.893 175.900 0.010 0.000 1.137 2881 Y CA 0.710 58.804 58.100 -0.010 0.000 1.202 2881 Y CB 0.113 38.561 38.460 -0.020 0.000 0.990 2881 Y HN -0.067 nan 8.280 nan 0.000 0.537 2882 L N -0.004 121.343 121.223 0.207 0.000 2.313 2882 L HA 0.314 4.653 4.340 -0.001 0.000 0.283 2882 L C 0.200 177.158 176.870 0.147 0.000 1.013 2882 L CA -0.466 54.487 54.840 0.189 0.000 0.816 2882 L CB 1.256 43.459 42.059 0.240 0.000 1.236 2882 L HN -0.134 nan 8.230 nan 0.000 0.419 2883 S N 4.066 119.842 115.700 0.127 0.000 2.589 2883 S HA 0.243 4.713 4.470 -0.001 0.000 0.265 2883 S C -2.273 172.371 174.600 0.073 0.000 1.342 2883 S CA -0.756 57.492 58.200 0.079 0.000 1.005 2883 S CB 0.581 63.816 63.200 0.058 0.000 0.909 2883 S HN 0.423 nan 8.310 nan 0.000 0.555 2884 P HA 0.209 nan 4.420 nan 0.000 0.268 2884 P C -2.266 174.973 177.300 -0.101 0.000 1.205 2884 P CA -0.960 62.132 63.100 -0.014 0.000 0.771 2884 P CB -0.211 31.479 31.700 -0.018 0.000 0.858 2885 P HA 0.090 nan 4.420 nan 0.000 0.272 2885 P C -0.598 176.545 177.300 -0.262 0.000 1.223 2885 P CA 0.046 62.852 63.100 -0.490 0.000 0.784 2885 P CB 0.518 31.598 31.700 -1.032 0.000 0.923 2886 T N 0.924 115.358 114.554 -0.199 0.000 2.909 2886 T HA 0.364 4.714 4.350 -0.001 0.000 0.286 2886 T C -0.040 174.688 174.700 0.047 0.000 1.002 2886 T CA -0.337 61.745 62.100 -0.030 0.000 1.074 2886 T CB 0.787 69.678 68.868 0.038 0.000 0.984 2886 T HN 0.132 nan 8.240 nan 0.000 0.495 2887 V N 4.435 124.411 119.914 0.103 0.000 2.487 2887 V HA 0.717 4.837 4.120 -0.001 0.000 0.298 2887 V C -0.831 175.394 176.094 0.219 0.000 1.028 2887 V CA -0.884 61.474 62.300 0.097 0.000 0.860 2887 V CB 0.810 32.672 31.823 0.065 0.000 0.991 2887 V HN 0.856 nan 8.190 nan 0.000 0.427 2888 F N 3.665 123.667 119.950 0.086 0.000 2.626 2888 F HA 0.894 5.421 4.527 -0.001 0.000 0.311 2888 F C -1.252 174.634 175.800 0.143 0.000 1.088 2888 F CA -1.593 56.456 58.000 0.081 0.000 0.949 2888 F CB 1.683 40.709 39.000 0.043 0.000 1.322 2888 F HN 0.390 nan 8.300 nan 0.000 0.461 2889 L N 2.405 123.779 121.223 0.251 0.000 2.317 2889 L HA 0.896 5.236 4.340 -0.001 0.000 0.281 2889 L C -0.748 176.277 176.870 0.258 0.000 1.024 2889 L CA -0.644 54.289 54.840 0.154 0.000 0.810 2889 L CB 1.616 43.722 42.059 0.078 0.000 1.240 2889 L HN 0.982 nan 8.230 nan 0.000 0.427 2890 A N 6.867 129.840 122.820 0.255 0.000 2.536 2890 A HA 0.677 4.997 4.320 -0.001 0.000 0.329 2890 A C -2.633 175.051 177.584 0.166 0.000 1.321 2890 A CA -1.397 50.809 52.037 0.283 0.000 0.804 2890 A CB -0.212 19.085 19.000 0.495 0.000 1.126 2890 A HN 0.554 nan 8.150 nan 0.000 0.480 2891 P HA 0.282 nan 4.420 nan 0.000 0.272 2891 P C 0.644 177.993 177.300 0.082 0.000 1.240 2891 P CA 0.089 63.234 63.100 0.075 0.000 0.791 2891 P CB 0.758 32.491 31.700 0.055 0.000 0.978 2892 A N 0.000 122.862 122.820 0.069 0.000 2.254 2892 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 2892 A CA 0.000 52.090 52.037 0.089 0.000 0.836 2892 A CB 0.000 19.041 19.000 0.069 0.000 0.831 2892 A HN 0.000 nan 8.150 nan 0.000 0.486