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 1ea9_1_D DATA FIRST_RESID 1 DATA SEQUENCE MFLEAVYHRP RKNFSYAYNG TTVHLRIRTK KDDMTAVYAL AGDKYMWDHT DATA SEQUENCE MEYVPMTKLA TDELFDYWEC EVTPPYRRVK YGFLLQQGHE KRWMTEYDFL DATA SEQUENCE TEPPANPDRL FEYPFINPVD VFQPPAWVKD AIFYQIFPER FANGDTRNDP DATA SEQUENCE EGTLPWGSAD PTPSCFFGGD LQGVIDHLDH LSKLGVNAVY FTPLFKATTN DATA SEQUENCE HKYDTEDYFQ IDPQFGDKDT LKKLVDLCHE RGIRVLLDAV FNHSGRTFPP DATA SEQUENCE FVDVLKNGEK SKYKDWFHIR SLPLEVVDGI PTYDTFAFEP LMPKLNTEHP DATA SEQUENCE DVKEYLLKAA EYWIRETGID GWRLDVANEV SHQFWREFRR VVKQANPDAY DATA SEQUENCE ILGEVWHESS IWLEGDQFDA VMNYPFTNAV LDFFIHQIAD AEKFSFMLGK DATA SEQUENCE QLAGYPRQAS EVMFNLLDSH DTARLLTQAD GDKRKMKLAV LFQFTYFGTP DATA SEQUENCE CIYYGDEVGL DGGHDPGCRK CMEWDETKHD KDLFAFYQTV IRLRQAHAAL DATA SEQUENCE RTGTFKFLTA EKNSRQIAYL REDDQDTILV VMNNDKAGHT LTLPVRHAQW DATA SEQUENCE THLWQDDVLT AAHGQLTVKL PAYGFAVLKA SSD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.508 176.300 0.347 0.000 1.140 1 M CA 0.000 55.386 55.300 0.143 0.000 0.988 1 M CB 0.000 32.631 32.600 0.052 0.000 1.302 2 F N -0.537 119.364 119.950 -0.082 0.000 3.039 2 F HA -0.270 4.257 4.527 0.000 0.000 0.287 2 F C 0.286 176.042 175.800 -0.073 0.000 0.956 2 F CA 0.533 58.499 58.000 -0.058 0.000 0.971 2 F CB -2.349 36.630 39.000 -0.035 0.000 0.943 2 F HN 0.313 nan 8.300 nan 0.000 0.766 3 L N -0.656 120.541 121.223 -0.043 0.000 2.509 3 L HA 0.080 4.420 4.340 0.000 0.000 0.222 3 L C 1.871 178.767 176.870 0.043 0.000 1.123 3 L CA 0.931 55.695 54.840 -0.127 0.000 0.856 3 L CB -0.589 41.081 42.059 -0.648 0.000 0.985 3 L HN 0.219 nan 8.230 nan 0.000 0.456 4 E N 0.803 121.038 120.200 0.058 0.000 2.267 4 E HA -0.144 4.206 4.350 0.000 0.000 0.197 4 E C 2.077 178.775 176.600 0.163 0.000 0.998 4 E CA 1.087 57.556 56.400 0.116 0.000 0.830 4 E CB -0.155 29.585 29.700 0.066 0.000 0.751 4 E HN 0.515 nan 8.360 nan 0.000 0.491 5 A N 0.537 123.464 122.820 0.178 0.000 2.275 5 A HA 0.129 4.449 4.320 0.000 0.000 0.212 5 A C 0.663 178.349 177.584 0.170 0.000 1.201 5 A CA -0.185 51.986 52.037 0.222 0.000 0.843 5 A CB 0.430 19.599 19.000 0.283 0.000 0.873 5 A HN 0.019 nan 8.150 nan 0.000 0.492 6 V N 0.280 120.299 119.914 0.176 0.000 2.530 6 V HA 0.344 4.464 4.120 0.000 0.000 0.282 6 V C -0.443 175.779 176.094 0.213 0.000 1.048 6 V CA -0.008 62.392 62.300 0.167 0.000 0.997 6 V CB 0.323 32.276 31.823 0.217 0.000 0.987 6 V HN 0.418 nan 8.190 nan 0.000 0.477 7 Y N 3.553 123.818 120.300 -0.059 0.000 2.562 7 Y HA 0.700 5.250 4.550 -0.000 0.000 0.345 7 Y C -0.630 175.048 175.900 -0.370 0.000 1.045 7 Y CA -1.079 56.919 58.100 -0.171 0.000 1.028 7 Y CB 2.245 40.574 38.460 -0.219 0.000 1.297 7 Y HN 0.795 nan 8.280 nan 0.000 0.463 8 H N 2.771 121.111 119.070 -1.216 0.000 3.455 8 H HA 0.371 4.927 4.556 0.000 0.000 0.351 8 H C -1.997 172.868 175.328 -0.772 0.000 1.554 8 H CA -0.556 54.816 56.048 -1.128 0.000 1.639 8 H CB 0.397 29.833 29.762 -0.543 0.000 2.324 8 H HN 0.588 nan 8.280 nan 0.000 0.399 9 R N 5.328 125.273 120.500 -0.925 0.000 2.360 9 R HA 0.486 4.826 4.340 0.000 0.000 0.318 9 R C -2.742 173.591 176.300 0.055 0.000 0.950 9 R CA -2.429 53.545 56.100 -0.210 0.000 0.837 9 R CB 0.837 31.129 30.300 -0.014 0.000 1.165 9 R HN 0.375 nan 8.270 nan 0.000 0.458 10 P HA -0.168 nan 4.420 nan 0.000 0.267 10 P C -0.484 176.936 177.300 0.199 0.000 1.158 10 P CA 0.680 63.906 63.100 0.210 0.000 0.756 10 P CB 0.427 32.267 31.700 0.233 0.000 0.766 11 R N 0.854 121.493 120.500 0.232 0.000 4.055 11 R HA -0.216 4.124 4.340 0.000 0.000 0.358 11 R C 1.263 177.661 176.300 0.164 0.000 0.241 11 R CA 1.254 57.486 56.100 0.220 0.000 1.167 11 R CB -1.806 28.580 30.300 0.143 0.000 1.098 11 R HN 0.710 nan 8.270 nan 0.000 0.514 12 K N -0.652 119.798 120.400 0.084 0.000 1.902 12 K HA -0.322 3.998 4.320 0.000 0.000 0.144 12 K C 1.121 177.650 176.600 -0.117 0.000 0.912 12 K CA 2.346 58.605 56.287 -0.048 0.000 0.315 12 K CB -1.282 31.150 32.500 -0.113 0.000 0.723 12 K HN 0.886 nan 8.250 nan 0.000 0.785 13 N N 0.407 118.919 118.700 -0.313 0.000 2.227 13 N HA 0.033 4.773 4.740 0.000 0.000 0.196 13 N C 1.504 176.947 175.510 -0.112 0.000 1.142 13 N CA 0.701 53.579 53.050 -0.286 0.000 0.887 13 N CB 0.098 38.279 38.487 -0.510 0.000 1.022 13 N HN 0.181 nan 8.380 nan 0.000 0.500 14 F N 1.631 121.654 119.950 0.122 0.000 2.123 14 F HA 0.272 4.799 4.527 -0.000 0.000 0.289 14 F C 0.829 176.747 175.800 0.197 0.000 1.099 14 F CA 0.362 58.401 58.000 0.064 0.000 1.234 14 F CB -0.305 38.462 39.000 -0.389 0.000 1.034 14 F HN -0.146 nan 8.300 nan 0.000 0.479 15 S N -0.229 115.672 115.700 0.334 0.000 2.524 15 S HA 0.411 4.881 4.470 0.000 0.000 0.227 15 S C -1.161 173.663 174.600 0.373 0.000 1.304 15 S CA -0.573 57.814 58.200 0.311 0.000 1.185 15 S CB 0.195 63.629 63.200 0.390 0.000 1.104 15 S HN 0.240 nan 8.310 nan 0.000 0.475 16 Y N 0.104 120.535 120.300 0.217 0.000 2.686 16 Y HA 0.927 5.477 4.550 0.000 0.000 0.330 16 Y C -0.465 175.472 175.900 0.062 0.000 1.082 16 Y CA -1.788 56.451 58.100 0.231 0.000 1.158 16 Y CB 0.630 39.143 38.460 0.089 0.000 1.333 16 Y HN 0.380 nan 8.280 nan 0.000 0.519 17 A N 1.613 124.585 122.820 0.253 0.000 2.280 17 A HA 0.256 4.576 4.320 0.000 0.000 0.320 17 A C -0.014 177.704 177.584 0.222 0.000 1.366 17 A CA -0.724 51.287 52.037 -0.043 0.000 0.938 17 A CB -0.737 18.255 19.000 -0.014 0.000 1.157 17 A HN 1.084 nan 8.150 nan 0.000 0.536 18 Y N 3.786 123.987 120.300 -0.166 0.000 2.070 18 Y HA -0.190 4.360 4.550 -0.000 0.000 0.279 18 Y C 1.115 177.002 175.900 -0.022 0.000 1.134 18 Y CA 1.777 59.810 58.100 -0.112 0.000 1.113 18 Y CB 0.105 38.290 38.460 -0.458 0.000 0.981 18 Y HN 0.889 nan 8.280 nan 0.000 0.487 19 N N -1.686 117.007 118.700 -0.012 0.000 3.038 19 N HA 0.284 5.024 4.740 0.000 0.000 0.307 19 N C -0.049 175.430 175.510 -0.051 0.000 1.441 19 N CA -0.385 52.611 53.050 -0.091 0.000 0.772 19 N CB 1.180 39.501 38.487 -0.278 0.000 1.651 19 N HN 0.035 nan 8.380 nan 0.000 0.593 20 G N -1.113 107.661 108.800 -0.043 0.000 3.263 20 G HA2 0.240 4.200 3.960 0.000 0.000 0.246 20 G HA3 0.240 4.200 3.960 0.000 0.000 0.246 20 G C 0.357 175.219 174.900 -0.062 0.000 0.982 20 G CA 0.465 45.550 45.100 -0.026 0.000 1.897 20 G HN 0.691 nan 8.290 nan 0.000 0.624 21 T N -1.670 112.827 114.554 -0.094 0.000 5.052 21 T HA 0.038 4.388 4.350 0.000 0.000 0.316 21 T C -0.137 174.493 174.700 -0.117 0.000 0.947 21 T CA 0.488 62.523 62.100 -0.110 0.000 0.515 21 T CB -0.402 68.409 68.868 -0.094 0.000 0.762 21 T HN 0.234 nan 8.240 nan 0.000 0.491 22 T N 1.375 115.858 114.554 -0.119 0.000 3.293 22 T HA 0.597 4.947 4.350 0.000 0.000 0.320 22 T C -0.877 173.759 174.700 -0.108 0.000 0.995 22 T CA -0.456 61.593 62.100 -0.085 0.000 1.041 22 T CB 1.940 70.800 68.868 -0.013 0.000 1.058 22 T HN 0.091 nan 8.240 nan 0.000 0.453 23 V N 3.575 123.378 119.914 -0.185 0.000 2.612 23 V HA 0.453 4.573 4.120 0.000 0.000 0.301 23 V C -0.075 175.929 176.094 -0.151 0.000 1.046 23 V CA -0.730 61.377 62.300 -0.321 0.000 0.946 23 V CB 1.440 32.947 31.823 -0.527 0.000 1.003 23 V HN 0.851 nan 8.190 nan 0.000 0.459 24 H N 4.026 122.735 119.070 -0.601 0.000 2.533 24 H HA 0.611 5.167 4.556 0.000 0.000 0.343 24 H C -1.259 173.870 175.328 -0.332 0.000 1.160 24 H CA -1.049 54.667 56.048 -0.552 0.000 1.218 24 H CB 1.927 31.107 29.762 -0.971 0.000 1.566 24 H HN 0.221 nan 8.280 nan 0.000 0.522 25 L N 2.463 123.662 121.223 -0.039 0.000 2.408 25 L HA 0.494 4.834 4.340 0.000 0.000 0.268 25 L C -0.289 176.691 176.870 0.183 0.000 0.986 25 L CA -0.535 54.389 54.840 0.139 0.000 0.820 25 L CB 1.863 43.983 42.059 0.101 0.000 1.303 25 L HN 0.656 nan 8.230 nan 0.000 0.411 26 R N 3.211 123.935 120.500 0.373 0.000 2.531 26 R HA 0.588 4.928 4.340 0.000 0.000 0.293 26 R C -1.105 175.489 176.300 0.491 0.000 1.124 26 R CA -0.473 55.835 56.100 0.346 0.000 0.945 26 R CB 2.922 33.424 30.300 0.337 0.000 1.195 26 R HN 0.602 nan 8.270 nan 0.000 0.433 27 I N 2.126 122.780 120.570 0.140 0.000 2.441 27 I HA 0.448 4.618 4.170 0.000 0.000 0.295 27 I C -0.185 176.032 176.117 0.166 0.000 0.994 27 I CA -1.001 60.301 61.300 0.003 0.000 1.144 27 I CB 1.544 39.193 38.000 -0.586 0.000 1.314 27 I HN 0.555 nan 8.210 nan 0.000 0.445 28 R N 4.453 125.048 120.500 0.158 0.000 2.560 28 R HA 0.600 4.940 4.340 0.000 0.000 0.270 28 R C -1.054 175.260 176.300 0.024 0.000 1.074 28 R CA 0.084 56.213 56.100 0.049 0.000 1.140 28 R CB 1.043 31.281 30.300 -0.102 0.000 1.073 28 R HN 0.815 nan 8.270 nan 0.000 0.527 29 T N -0.378 114.191 114.554 0.025 0.000 2.886 29 T HA 0.189 4.539 4.350 0.000 0.000 0.330 29 T C -1.123 173.671 174.700 0.157 0.000 1.488 29 T CA -1.122 61.049 62.100 0.119 0.000 1.054 29 T CB 1.072 70.055 68.868 0.191 0.000 1.348 29 T HN 0.583 nan 8.240 nan 0.000 0.489 30 K N 1.760 122.241 120.400 0.134 0.000 2.451 30 K HA 0.100 4.420 4.320 0.000 0.000 0.280 30 K C 1.164 177.756 176.600 -0.013 0.000 1.020 30 K CA -0.250 56.074 56.287 0.062 0.000 1.008 30 K CB 0.404 32.909 32.500 0.008 0.000 0.917 30 K HN 0.720 nan 8.250 nan 0.000 0.478 31 K N 2.402 122.738 120.400 -0.106 0.000 2.200 31 K HA -0.282 4.038 4.320 0.000 0.000 0.206 31 K C 0.050 176.610 176.600 -0.066 0.000 0.782 31 K CA 2.378 58.582 56.287 -0.138 0.000 1.047 31 K CB -0.357 32.036 32.500 -0.177 0.000 0.989 31 K HN 0.714 nan 8.250 nan 0.000 0.595 32 D N -0.398 119.965 120.400 -0.061 0.000 2.895 32 D HA 0.063 4.703 4.640 0.000 0.000 0.350 32 D C -0.321 175.961 176.300 -0.030 0.000 1.389 32 D CA 0.007 53.995 54.000 -0.019 0.000 0.812 32 D CB 0.594 41.370 40.800 -0.040 0.000 1.164 32 D HN 0.224 nan 8.370 nan 0.000 0.455 33 D N -0.220 120.165 120.400 -0.026 0.000 2.340 33 D HA 0.002 4.642 4.640 0.000 0.000 0.220 33 D C 0.370 176.645 176.300 -0.041 0.000 1.039 33 D CA 0.610 54.569 54.000 -0.069 0.000 0.866 33 D CB 0.406 41.154 40.800 -0.085 0.000 0.913 33 D HN 0.008 nan 8.370 nan 0.000 0.523 34 M N -1.611 117.998 119.600 0.015 0.000 2.704 34 M HA 0.301 4.781 4.480 0.000 0.000 0.284 34 M C 0.685 176.980 176.300 -0.007 0.000 1.275 34 M CA -0.605 54.648 55.300 -0.078 0.000 0.811 34 M CB 1.199 33.633 32.600 -0.276 0.000 1.741 34 M HN -0.353 nan 8.290 nan 0.000 0.458 35 T N -0.072 114.396 114.554 -0.143 0.000 3.019 35 T HA 0.612 4.962 4.350 0.000 0.000 0.247 35 T C -0.051 174.594 174.700 -0.091 0.000 0.992 35 T CA 0.408 62.468 62.100 -0.067 0.000 1.036 35 T CB 0.834 69.623 68.868 -0.131 0.000 1.063 35 T HN 0.784 nan 8.240 nan 0.000 0.476 36 A N 1.250 123.798 122.820 -0.453 0.000 2.573 36 A HA 0.594 4.914 4.320 0.000 0.000 0.299 36 A C -1.347 175.584 177.584 -1.090 0.000 1.060 36 A CA -0.837 50.810 52.037 -0.650 0.000 0.736 36 A CB 0.884 19.585 19.000 -0.497 0.000 1.280 36 A HN 0.473 nan 8.150 nan 0.000 0.401 37 V N 0.271 119.437 119.914 -1.246 0.000 2.417 37 V HA 0.851 4.971 4.120 0.000 0.000 0.291 37 V C -0.966 174.996 176.094 -0.221 0.000 1.024 37 V CA -0.595 61.189 62.300 -0.861 0.000 0.861 37 V CB 0.780 32.042 31.823 -0.935 0.000 0.985 37 V HN 0.769 nan 8.190 nan 0.000 0.436 38 Y N 2.962 123.176 120.300 -0.142 0.000 2.446 38 Y HA 0.828 5.378 4.550 -0.000 0.000 0.345 38 Y C 0.542 176.561 175.900 0.199 0.000 0.984 38 Y CA -0.944 57.177 58.100 0.035 0.000 1.058 38 Y CB 2.599 41.091 38.460 0.053 0.000 1.220 38 Y HN 0.979 nan 8.280 nan 0.000 0.455 39 A N 3.266 126.329 122.820 0.404 0.000 2.294 39 A HA 0.720 5.040 4.320 0.000 0.000 0.330 39 A C -1.158 176.489 177.584 0.105 0.000 1.133 39 A CA -0.797 51.416 52.037 0.292 0.000 0.836 39 A CB 0.856 20.043 19.000 0.313 0.000 1.190 39 A HN 0.815 nan 8.150 nan 0.000 0.492 40 L N 2.037 123.273 121.223 0.022 0.000 2.297 40 L HA 0.458 4.798 4.340 0.000 0.000 0.277 40 L C 0.391 177.295 176.870 0.056 0.000 1.040 40 L CA -0.324 54.488 54.840 -0.047 0.000 0.867 40 L CB 1.002 43.073 42.059 0.020 0.000 1.244 40 L HN 0.787 nan 8.230 nan 0.000 0.433 41 A N 3.043 125.850 122.820 -0.022 0.000 2.260 41 A HA 0.757 5.077 4.320 0.000 0.000 0.312 41 A C 0.293 177.862 177.584 -0.026 0.000 1.321 41 A CA -0.178 51.885 52.037 0.042 0.000 0.928 41 A CB 0.565 19.568 19.000 0.004 0.000 1.158 41 A HN 0.702 nan 8.150 nan 0.000 0.542 42 G N 1.080 109.972 108.800 0.152 0.000 2.718 42 G HA2 0.475 4.435 3.960 0.000 0.000 0.295 42 G HA3 0.475 4.435 3.960 0.000 0.000 0.295 42 G C -1.654 173.492 174.900 0.410 0.000 1.421 42 G CA -0.544 44.619 45.100 0.106 0.000 0.902 42 G HN 0.492 nan 8.290 nan 0.000 0.501 43 D N 0.940 121.521 120.400 0.302 0.000 2.344 43 D HA 0.152 4.792 4.640 0.000 0.000 0.253 43 D C 1.575 178.019 176.300 0.239 0.000 1.255 43 D CA -0.549 53.603 54.000 0.253 0.000 0.894 43 D CB 1.328 42.262 40.800 0.223 0.000 1.067 43 D HN 0.395 nan 8.370 nan 0.000 0.492 44 K N 2.378 122.798 120.400 0.033 0.000 2.520 44 K HA -0.195 4.125 4.320 0.000 0.000 0.197 44 K C 0.535 176.995 176.600 -0.234 0.000 1.044 44 K CA 1.355 57.511 56.287 -0.217 0.000 0.938 44 K CB -0.444 31.783 32.500 -0.455 0.000 0.767 44 K HN 0.382 nan 8.250 nan 0.000 0.481 45 Y N 0.680 121.032 120.300 0.087 0.000 2.524 45 Y HA 0.333 4.883 4.550 0.000 0.000 0.266 45 Y C 0.665 176.586 175.900 0.036 0.000 1.180 45 Y CA -0.471 57.652 58.100 0.039 0.000 1.244 45 Y CB 0.049 38.521 38.460 0.020 0.000 1.125 45 Y HN 0.257 nan 8.280 nan 0.000 0.524 46 M N -4.164 115.560 119.600 0.208 0.000 5.960 46 M HA 0.077 4.557 4.480 0.000 0.000 0.700 46 M C 0.136 176.582 176.300 0.243 0.000 2.498 46 M CA -0.314 55.088 55.300 0.170 0.000 0.166 46 M CB -0.870 31.774 32.600 0.073 0.000 1.460 46 M HN 0.183 nan 8.290 nan 0.000 0.744 47 W N 2.871 124.178 121.300 0.011 0.000 1.980 47 W HA -0.373 4.287 4.660 0.000 0.000 0.309 47 W C 1.046 177.575 176.519 0.016 0.000 1.149 47 W CA 2.435 59.777 57.345 -0.004 0.000 1.014 47 W CB -0.585 28.857 29.460 -0.030 0.000 0.996 47 W HN 0.612 nan 8.180 nan 0.000 0.533 48 D N -0.988 119.400 120.400 -0.019 0.000 2.723 48 D HA -0.337 4.303 4.640 0.000 0.000 0.208 48 D C 1.738 177.948 176.300 -0.149 0.000 1.050 48 D CA 2.393 56.283 54.000 -0.184 0.000 0.893 48 D CB -1.586 39.205 40.800 -0.016 0.000 1.062 48 D HN 0.356 nan 8.370 nan 0.000 0.478 49 H N 0.218 119.246 119.070 -0.069 0.000 2.570 49 H HA -0.010 4.546 4.556 0.000 0.000 0.280 49 H C 0.925 176.224 175.328 -0.047 0.000 1.038 49 H CA 1.158 57.178 56.048 -0.046 0.000 1.186 49 H CB 0.174 29.933 29.762 -0.005 0.000 1.339 49 H HN 0.178 nan 8.280 nan 0.000 0.615 50 T N -0.855 113.706 114.554 0.012 0.000 3.115 50 T HA 0.071 4.421 4.350 0.000 0.000 0.256 50 T C 1.072 175.651 174.700 -0.201 0.000 0.970 50 T CA -0.110 61.991 62.100 0.001 0.000 1.010 50 T CB 0.416 69.338 68.868 0.089 0.000 1.151 50 T HN 0.307 nan 8.240 nan 0.000 0.479 51 M N 2.825 122.119 119.600 -0.510 0.000 2.235 51 M HA 0.230 4.710 4.480 0.000 0.000 0.336 51 M C -0.285 175.719 176.300 -0.493 0.000 1.146 51 M CA 0.563 55.345 55.300 -0.864 0.000 1.018 51 M CB -0.120 31.589 32.600 -1.485 0.000 1.694 51 M HN 0.386 nan 8.290 nan 0.000 0.451 52 E N 2.313 122.243 120.200 -0.449 0.000 2.388 52 E HA 0.309 4.659 4.350 0.000 0.000 0.282 52 E C -2.102 174.338 176.600 -0.268 0.000 1.026 52 E CA -0.968 55.268 56.400 -0.272 0.000 0.820 52 E CB 0.624 30.245 29.700 -0.131 0.000 1.226 52 E HN 0.714 nan 8.360 nan 0.000 0.432 53 Y N 1.257 121.526 120.300 -0.052 0.000 2.504 53 Y HA 0.315 4.865 4.550 0.000 0.000 0.351 53 Y C 0.041 175.858 175.900 -0.138 0.000 0.988 53 Y CA -0.669 57.417 58.100 -0.024 0.000 1.239 53 Y CB 1.128 39.602 38.460 0.025 0.000 1.128 53 Y HN 0.273 nan 8.280 nan 0.000 0.525 54 V N 6.877 126.802 119.914 0.017 0.000 2.432 54 V HA 0.211 4.331 4.120 0.000 0.000 0.271 54 V C -2.099 173.910 176.094 -0.140 0.000 1.046 54 V CA -2.220 60.043 62.300 -0.062 0.000 0.945 54 V CB 0.794 32.614 31.823 -0.006 0.000 0.992 54 V HN 0.534 nan 8.190 nan 0.000 0.471 55 P HA 0.306 nan 4.420 nan 0.000 0.271 55 P C -0.455 176.889 177.300 0.073 0.000 1.218 55 P CA -0.001 62.858 63.100 -0.403 0.000 0.780 55 P CB 0.523 32.012 31.700 -0.352 0.000 0.901 56 M N 0.875 120.676 119.600 0.335 0.000 2.591 56 M HA 0.364 4.844 4.480 0.000 0.000 0.306 56 M C -0.544 176.094 176.300 0.564 0.000 1.190 56 M CA -0.375 55.152 55.300 0.378 0.000 0.889 56 M CB 2.330 35.147 32.600 0.362 0.000 1.728 56 M HN 0.090 nan 8.290 nan 0.000 0.458 57 T N 2.025 116.804 114.554 0.375 0.000 2.893 57 T HA 0.254 4.604 4.350 0.000 0.000 0.324 57 T C -0.368 174.232 174.700 -0.166 0.000 1.082 57 T CA -0.922 61.266 62.100 0.147 0.000 0.983 57 T CB 0.226 69.128 68.868 0.056 0.000 1.005 57 T HN 0.564 nan 8.240 nan 0.000 0.475 58 K N 3.873 123.725 120.400 -0.913 0.000 2.405 58 K HA 0.027 4.347 4.320 0.000 0.000 0.273 58 K C 0.762 177.112 176.600 -0.417 0.000 1.116 58 K CA -0.385 55.197 56.287 -1.175 0.000 1.155 58 K CB 0.443 31.788 32.500 -1.926 0.000 0.858 58 K HN 0.250 nan 8.250 nan 0.000 0.477 59 L N 3.702 124.821 121.223 -0.173 0.000 1.925 59 L HA -0.081 4.259 4.340 0.000 0.000 0.215 59 L C 0.964 177.846 176.870 0.020 0.000 1.082 59 L CA 2.440 57.262 54.840 -0.030 0.000 0.764 59 L CB -0.541 41.541 42.059 0.038 0.000 0.887 59 L HN 1.000 nan 8.230 nan 0.000 0.432 60 A N -2.653 120.223 122.820 0.095 0.000 3.120 60 A HA 0.784 5.104 4.320 0.000 0.000 0.213 60 A C -0.801 176.890 177.584 0.178 0.000 1.202 60 A CA 0.162 52.293 52.037 0.157 0.000 0.876 60 A CB 0.981 20.093 19.000 0.186 0.000 1.456 60 A HN 0.235 nan 8.150 nan 0.000 0.530 61 T N 1.059 115.740 114.554 0.212 0.000 3.933 61 T HA 0.419 4.769 4.350 0.000 0.000 0.379 61 T C -1.512 173.155 174.700 -0.056 0.000 1.232 61 T CA -0.465 61.679 62.100 0.073 0.000 1.122 61 T CB 1.158 69.998 68.868 -0.048 0.000 1.239 61 T HN 0.836 nan 8.240 nan 0.000 0.475 62 D N 1.479 121.798 120.400 -0.136 0.000 2.509 62 D HA 0.285 4.925 4.640 0.000 0.000 0.275 62 D C 1.242 176.940 176.300 -1.004 0.000 1.189 62 D CA -0.556 53.286 54.000 -0.262 0.000 1.098 62 D CB 0.330 41.214 40.800 0.140 0.000 1.177 62 D HN 0.525 nan 8.370 nan 0.000 0.599 63 E N -1.101 118.783 120.200 -0.526 0.000 2.153 63 E HA -0.100 4.250 4.350 0.000 0.000 0.194 63 E C 1.386 177.653 176.600 -0.555 0.000 0.988 63 E CA 1.102 57.219 56.400 -0.473 0.000 0.811 63 E CB -0.076 29.556 29.700 -0.113 0.000 0.746 63 E HN 0.523 nan 8.360 nan 0.000 0.466 64 L N -3.607 117.211 121.223 -0.675 0.000 3.515 64 L HA 0.434 4.774 4.340 0.000 0.000 0.322 64 L C -0.293 176.069 176.870 -0.847 0.000 1.225 64 L CA -0.679 53.703 54.840 -0.763 0.000 1.104 64 L CB 0.252 41.817 42.059 -0.823 0.000 1.506 64 L HN -0.197 nan 8.230 nan 0.000 0.624 65 F N -0.054 119.697 119.950 -0.333 0.000 2.613 65 F HA 0.609 5.136 4.527 0.000 0.000 0.342 65 F C 0.897 176.441 175.800 -0.428 0.000 1.066 65 F CA -0.775 56.955 58.000 -0.450 0.000 1.002 65 F CB 0.815 39.313 39.000 -0.837 0.000 1.319 65 F HN -0.279 nan 8.300 nan 0.000 0.495 66 D N -1.500 118.790 120.400 -0.183 0.000 2.716 66 D HA 0.101 4.741 4.640 0.000 0.000 0.273 66 D C -1.075 175.212 176.300 -0.022 0.000 1.024 66 D CA 0.755 54.683 54.000 -0.121 0.000 0.944 66 D CB 0.177 40.956 40.800 -0.035 0.000 1.186 66 D HN 0.344 nan 8.370 nan 0.000 0.485 67 Y N -0.358 120.024 120.300 0.137 0.000 2.758 67 Y HA -0.210 4.340 4.550 0.000 0.000 0.065 67 Y C -0.300 175.644 175.900 0.073 0.000 1.918 67 Y CA -0.338 57.837 58.100 0.126 0.000 1.209 67 Y CB -1.481 37.029 38.460 0.084 0.000 1.864 67 Y HN 0.167 nan 8.280 nan 0.000 0.294 68 W N 4.567 125.942 121.300 0.127 0.000 2.361 68 W HA 0.347 5.007 4.660 -0.000 0.000 0.309 68 W C 0.477 177.020 176.519 0.039 0.000 1.122 68 W CA -0.565 56.810 57.345 0.051 0.000 1.208 68 W CB 1.561 31.006 29.460 -0.025 0.000 1.246 68 W HN 0.419 nan 8.180 nan 0.000 0.490 69 E N 2.352 122.667 120.200 0.191 0.000 2.313 69 E HA 0.179 4.529 4.350 0.000 0.000 0.276 69 E C -0.770 175.887 176.600 0.096 0.000 1.031 69 E CA 0.159 56.620 56.400 0.101 0.000 0.857 69 E CB 1.821 31.533 29.700 0.020 0.000 1.040 69 E HN 0.404 nan 8.360 nan 0.000 0.408 70 C N 4.114 123.410 119.300 -0.007 0.000 2.642 70 C HA 0.415 4.875 4.460 0.000 0.000 0.344 70 C C -0.702 174.175 174.990 -0.188 0.000 1.110 70 C CA -0.515 58.485 59.018 -0.030 0.000 1.298 70 C CB 0.998 28.775 27.740 0.063 0.000 1.827 70 C HN 0.909 nan 8.230 nan 0.000 0.467 71 E N 3.159 123.240 120.200 -0.199 0.000 2.244 71 E HA 0.825 5.175 4.350 0.000 0.000 0.266 71 E C -1.775 174.756 176.600 -0.114 0.000 0.914 71 E CA -0.577 55.675 56.400 -0.245 0.000 0.794 71 E CB 2.233 31.774 29.700 -0.265 0.000 1.210 71 E HN 0.666 nan 8.360 nan 0.000 0.414 72 V N 2.509 122.369 119.914 -0.089 0.000 2.852 72 V HA 0.347 4.467 4.120 0.000 0.000 0.300 72 V C -1.042 175.006 176.094 -0.076 0.000 1.205 72 V CA 0.001 62.255 62.300 -0.077 0.000 0.940 72 V CB 2.144 33.914 31.823 -0.087 0.000 1.047 72 V HN 0.871 nan 8.190 nan 0.000 0.429 73 T N 4.361 118.876 114.554 -0.066 0.000 3.377 73 T HA 0.482 4.832 4.350 0.000 0.000 0.270 73 T C -2.013 172.640 174.700 -0.079 0.000 1.586 73 T CA -1.389 60.665 62.100 -0.077 0.000 1.487 73 T CB 0.421 69.249 68.868 -0.067 0.000 0.994 73 T HN 0.677 nan 8.240 nan 0.000 0.689 74 P HA 0.225 nan 4.420 nan 0.000 0.264 74 P C -2.662 174.593 177.300 -0.076 0.000 1.183 74 P CA -0.734 62.343 63.100 -0.038 0.000 0.763 74 P CB 0.228 31.924 31.700 -0.006 0.000 0.807 75 P HA 0.116 nan 4.420 nan 0.000 0.275 75 P C -0.401 176.757 177.300 -0.237 0.000 1.266 75 P CA -0.142 62.757 63.100 -0.336 0.000 0.793 75 P CB -0.054 31.317 31.700 -0.548 0.000 1.074 76 Y N -2.138 118.164 120.300 0.003 0.000 4.705 76 Y HA -0.306 4.244 4.550 0.000 0.000 0.226 76 Y C 1.011 176.873 175.900 -0.063 0.000 1.039 76 Y CA 0.919 59.037 58.100 0.031 0.000 1.968 76 Y CB -2.842 35.671 38.460 0.089 0.000 1.614 76 Y HN 0.348 nan 8.280 nan 0.000 0.619 77 R N -1.300 119.127 120.500 -0.123 0.000 3.946 77 R HA -0.234 4.106 4.340 0.000 0.000 0.329 77 R C 0.212 176.277 176.300 -0.391 0.000 1.209 77 R CA 1.604 57.503 56.100 -0.334 0.000 0.909 77 R CB -1.308 28.642 30.300 -0.583 0.000 1.355 77 R HN 0.705 nan 8.270 nan 0.000 0.539 78 R N -0.997 119.447 120.500 -0.093 0.000 2.707 78 R HA 0.809 5.149 4.340 0.000 0.000 0.272 78 R C -1.586 174.798 176.300 0.139 0.000 1.011 78 R CA -0.718 55.406 56.100 0.040 0.000 0.893 78 R CB 1.728 32.131 30.300 0.171 0.000 1.233 78 R HN 0.040 nan 8.270 nan 0.000 0.464 79 V N 1.209 121.224 119.914 0.169 0.000 3.098 79 V HA 0.439 4.559 4.120 0.000 0.000 0.294 79 V C -1.442 174.801 176.094 0.249 0.000 1.351 79 V CA -0.788 61.625 62.300 0.189 0.000 0.999 79 V CB 2.623 34.535 31.823 0.149 0.000 1.104 79 V HN 0.964 nan 8.190 nan 0.000 0.438 80 K N 3.925 124.474 120.400 0.249 0.000 2.139 80 K HA 0.880 5.200 4.320 0.000 0.000 0.243 80 K C -1.375 175.465 176.600 0.400 0.000 0.983 80 K CA -0.197 56.226 56.287 0.227 0.000 0.890 80 K CB 1.659 34.127 32.500 -0.052 0.000 1.090 80 K HN 0.903 nan 8.250 nan 0.000 0.445 81 Y N -2.117 118.232 120.300 0.082 0.000 2.702 81 Y HA 0.664 5.214 4.550 -0.000 0.000 0.336 81 Y C -0.732 175.121 175.900 -0.078 0.000 1.203 81 Y CA -1.086 57.025 58.100 0.019 0.000 1.072 81 Y CB 0.781 39.181 38.460 -0.100 0.000 1.327 81 Y HN 0.641 nan 8.280 nan 0.000 0.456 82 G N 0.601 109.253 108.800 -0.247 0.000 2.727 82 G HA2 0.710 4.670 3.960 0.000 0.000 0.289 82 G HA3 0.710 4.670 3.960 0.000 0.000 0.289 82 G C -2.456 172.085 174.900 -0.598 0.000 1.418 82 G CA -1.086 43.788 45.100 -0.377 0.000 0.818 82 G HN 0.480 nan 8.290 nan 0.000 0.486 83 F N -0.813 119.222 119.950 0.140 0.000 2.563 83 F HA 0.551 5.078 4.527 -0.000 0.000 0.316 83 F C 0.847 176.667 175.800 0.034 0.000 1.076 83 F CA -0.872 57.163 58.000 0.058 0.000 0.921 83 F CB 2.440 41.407 39.000 -0.056 0.000 1.209 83 F HN 0.379 nan 8.300 nan 0.000 0.462 84 L N 0.989 122.250 121.223 0.064 0.000 2.316 84 L HA 0.265 4.605 4.340 0.000 0.000 0.207 84 L C -0.355 176.276 176.870 -0.398 0.000 1.070 84 L CA 0.222 54.823 54.840 -0.399 0.000 0.820 84 L CB 0.169 41.855 42.059 -0.622 0.000 0.992 84 L HN 0.644 nan 8.230 nan 0.000 0.466 85 L N -0.397 120.630 121.223 -0.327 0.000 0.656 85 L HA -0.306 4.034 4.340 0.000 0.000 0.356 85 L C -0.263 176.344 176.870 -0.438 0.000 1.039 85 L CA 1.343 55.954 54.840 -0.383 0.000 1.223 85 L CB -0.850 41.078 42.059 -0.219 0.000 0.108 85 L HN 0.513 nan 8.230 nan 0.000 0.102 86 Q N -0.380 119.193 119.800 -0.379 0.000 2.927 86 Q HA 0.245 4.585 4.340 0.000 0.000 0.217 86 Q C -1.680 174.175 176.000 -0.242 0.000 1.015 86 Q CA -0.511 55.105 55.803 -0.312 0.000 1.037 86 Q CB 0.733 29.244 28.738 -0.379 0.000 2.023 86 Q HN 0.637 nan 8.270 nan 0.000 0.513 87 Q N 2.387 122.091 119.800 -0.159 0.000 2.700 87 Q HA 0.448 4.788 4.340 0.000 0.000 0.249 87 Q C 0.595 176.530 176.000 -0.109 0.000 1.033 87 Q CA 0.739 56.473 55.803 -0.115 0.000 0.804 87 Q CB 0.558 29.255 28.738 -0.069 0.000 1.164 87 Q HN 0.956 nan 8.270 nan 0.000 0.500 88 G N 3.183 111.888 108.800 -0.158 0.000 5.359 88 G HA2 -0.397 3.563 3.960 0.000 0.000 0.333 88 G HA3 -0.397 3.563 3.960 0.000 0.000 0.333 88 G C 0.662 175.377 174.900 -0.309 0.000 1.365 88 G CA 0.785 45.741 45.100 -0.241 0.000 1.008 88 G HN 0.686 nan 8.290 nan 0.000 0.816 89 H N 1.197 120.235 119.070 -0.053 0.000 2.356 89 H HA 0.263 4.819 4.556 -0.000 0.000 0.306 89 H C 1.280 176.579 175.328 -0.047 0.000 1.142 89 H CA 0.512 56.536 56.048 -0.041 0.000 1.673 89 H CB -0.807 28.943 29.762 -0.020 0.000 1.505 89 H HN 0.611 nan 8.280 nan 0.000 0.638 90 E N 2.463 122.739 120.200 0.127 0.000 2.966 90 E HA -0.136 4.214 4.350 0.000 0.000 0.254 90 E C -0.272 176.318 176.600 -0.017 0.000 0.923 90 E CA 0.410 56.842 56.400 0.052 0.000 0.960 90 E CB 0.101 29.824 29.700 0.038 0.000 0.901 90 E HN 0.418 nan 8.360 nan 0.000 0.525 91 K N 4.501 124.892 120.400 -0.015 0.000 3.029 91 K HA 0.301 4.621 4.320 0.000 0.000 0.169 91 K C -0.546 175.976 176.600 -0.131 0.000 1.090 91 K CA -0.653 55.551 56.287 -0.139 0.000 0.883 91 K CB 0.674 33.049 32.500 -0.208 0.000 1.080 91 K HN 0.244 nan 8.250 nan 0.000 0.613 92 R N 0.813 121.306 120.500 -0.013 0.000 2.756 92 R HA 0.070 4.410 4.340 0.000 0.000 0.264 92 R C -0.716 175.661 176.300 0.128 0.000 1.026 92 R CA 0.138 56.340 56.100 0.170 0.000 1.121 92 R CB 0.277 30.636 30.300 0.099 0.000 0.999 92 R HN 0.345 nan 8.270 nan 0.000 0.449 93 W N 1.786 123.217 121.300 0.219 0.000 2.578 93 W HA 0.481 5.141 4.660 -0.000 0.000 0.346 93 W C 0.159 176.883 176.519 0.341 0.000 1.075 93 W CA -0.729 56.764 57.345 0.246 0.000 1.233 93 W CB 0.755 30.320 29.460 0.174 0.000 1.358 93 W HN 0.290 nan 8.180 nan 0.000 0.574 94 M N 2.724 122.597 119.600 0.454 0.000 2.464 94 M HA 0.626 5.106 4.480 0.000 0.000 0.308 94 M C -0.426 175.962 176.300 0.146 0.000 1.127 94 M CA -0.110 55.300 55.300 0.185 0.000 0.913 94 M CB 1.804 34.578 32.600 0.290 0.000 1.689 94 M HN 0.631 nan 8.290 nan 0.000 0.445 95 T N -0.523 113.996 114.554 -0.059 0.000 2.654 95 T HA 0.432 4.782 4.350 0.000 0.000 0.289 95 T C 0.152 174.609 174.700 -0.406 0.000 1.062 95 T CA -0.766 61.258 62.100 -0.127 0.000 1.041 95 T CB 1.224 69.998 68.868 -0.157 0.000 1.417 95 T HN 0.723 nan 8.240 nan 0.000 0.510 96 E N -0.722 119.063 120.200 -0.692 0.000 2.481 96 E HA 0.092 4.442 4.350 0.000 0.000 0.195 96 E C 0.325 176.770 176.600 -0.258 0.000 1.047 96 E CA 0.548 56.563 56.400 -0.643 0.000 0.867 96 E CB -0.029 29.247 29.700 -0.708 0.000 0.858 96 E HN 0.522 nan 8.360 nan 0.000 0.513 97 Y N 0.562 120.657 120.300 -0.341 0.000 2.453 97 Y HA 0.100 4.650 4.550 0.000 0.000 0.273 97 Y C 0.750 176.538 175.900 -0.185 0.000 1.130 97 Y CA 0.196 58.161 58.100 -0.224 0.000 1.271 97 Y CB 0.643 38.992 38.460 -0.186 0.000 1.253 97 Y HN -0.105 nan 8.280 nan 0.000 0.512 98 D N -1.486 118.922 120.400 0.014 0.000 2.566 98 D HA 0.221 4.861 4.640 0.000 0.000 0.254 98 D C -1.618 174.639 176.300 -0.072 0.000 1.090 98 D CA -0.510 53.483 54.000 -0.010 0.000 1.034 98 D CB 1.380 42.220 40.800 0.065 0.000 1.434 98 D HN -0.170 nan 8.370 nan 0.000 0.509 99 F N 1.124 121.133 119.950 0.098 0.000 2.329 99 F HA 0.293 4.820 4.527 0.000 0.000 0.362 99 F C 0.587 176.471 175.800 0.140 0.000 1.113 99 F CA -0.596 57.482 58.000 0.130 0.000 1.212 99 F CB 0.179 39.243 39.000 0.108 0.000 1.509 99 F HN -0.020 nan 8.300 nan 0.000 0.546 100 L N 1.691 123.106 121.223 0.321 0.000 2.473 100 L HA 0.125 4.465 4.340 0.000 0.000 0.265 100 L C 1.270 178.338 176.870 0.329 0.000 1.243 100 L CA 0.088 55.064 54.840 0.227 0.000 0.822 100 L CB 0.180 42.296 42.059 0.095 0.000 1.101 100 L HN 0.440 nan 8.230 nan 0.000 0.507 101 T N -1.562 113.112 114.554 0.200 0.000 3.042 101 T HA 0.083 4.433 4.350 0.000 0.000 0.245 101 T C 0.339 175.204 174.700 0.274 0.000 1.029 101 T CA 0.409 62.665 62.100 0.260 0.000 1.120 101 T CB 0.268 69.217 68.868 0.134 0.000 0.917 101 T HN 0.429 nan 8.240 nan 0.000 0.467 102 E N 0.150 120.269 120.200 -0.136 0.000 2.378 102 E HA 0.472 4.822 4.350 0.000 0.000 0.265 102 E C -2.833 173.031 176.600 -1.228 0.000 0.932 102 E CA -2.546 53.589 56.400 -0.442 0.000 0.795 102 E CB 1.294 30.895 29.700 -0.166 0.000 1.296 102 E HN -0.157 nan 8.360 nan 0.000 0.438 103 P HA -0.048 nan 4.420 nan 0.000 0.266 103 P C -2.453 174.463 177.300 -0.640 0.000 1.162 103 P CA -0.219 62.053 63.100 -1.380 0.000 0.758 103 P CB -0.161 31.162 31.700 -0.628 0.000 0.774 104 P HA 0.072 nan 4.420 nan 0.000 0.275 104 P C 0.420 177.665 177.300 -0.092 0.000 1.228 104 P CA 0.013 63.012 63.100 -0.168 0.000 0.786 104 P CB 0.540 32.208 31.700 -0.054 0.000 0.927 105 A N 3.036 125.800 122.820 -0.094 0.000 2.015 105 A HA -0.071 4.249 4.320 0.000 0.000 0.219 105 A C 0.738 178.318 177.584 -0.007 0.000 1.163 105 A CA 1.494 53.497 52.037 -0.056 0.000 0.646 105 A CB -0.889 18.063 19.000 -0.079 0.000 0.806 105 A HN 0.832 nan 8.150 nan 0.000 0.448 106 N N -2.430 116.230 118.700 -0.067 0.000 3.373 106 N HA 0.263 5.003 4.740 0.000 0.000 0.275 106 N C -3.497 171.702 175.510 -0.519 0.000 1.489 106 N CA -1.370 51.562 53.050 -0.198 0.000 0.872 106 N CB 1.138 39.497 38.487 -0.215 0.000 1.555 106 N HN -0.116 nan 8.380 nan 0.000 0.500 107 P HA 0.383 nan 4.420 nan 0.000 0.270 107 P C -1.206 175.697 177.300 -0.662 0.000 1.551 107 P CA 0.243 62.657 63.100 -1.143 0.000 1.049 107 P CB 1.217 31.626 31.700 -2.151 0.000 1.397 108 D N 1.891 122.000 120.400 -0.485 0.000 2.900 108 D HA 0.003 4.643 4.640 0.000 0.000 0.175 108 D C 1.346 177.424 176.300 -0.370 0.000 1.476 108 D CA 0.058 53.826 54.000 -0.387 0.000 1.488 108 D CB -0.114 40.470 40.800 -0.359 0.000 1.426 108 D HN 0.198 nan 8.370 nan 0.000 0.295 109 R N 1.681 121.908 120.500 -0.455 0.000 2.346 109 R HA 0.149 4.489 4.340 0.000 0.000 0.208 109 R C 0.120 176.214 176.300 -0.344 0.000 1.052 109 R CA 0.158 55.980 56.100 -0.463 0.000 1.116 109 R CB -0.982 28.879 30.300 -0.732 0.000 1.003 109 R HN 0.267 nan 8.270 nan 0.000 0.482 110 L N 0.759 121.769 121.223 -0.355 0.000 2.399 110 L HA 0.354 4.694 4.340 0.000 0.000 0.265 110 L C 0.667 177.302 176.870 -0.391 0.000 1.089 110 L CA -0.896 53.733 54.840 -0.352 0.000 0.802 110 L CB 0.408 42.294 42.059 -0.289 0.000 1.180 110 L HN -0.134 nan 8.230 nan 0.000 0.454 111 F N 0.171 119.819 119.950 -0.504 0.000 2.110 111 F HA 0.369 4.896 4.527 0.000 0.000 0.267 111 F C 0.507 176.107 175.800 -0.333 0.000 1.141 111 F CA -0.033 57.684 58.000 -0.472 0.000 1.197 111 F CB 0.276 38.800 39.000 -0.793 0.000 1.674 111 F HN 0.484 nan 8.300 nan 0.000 0.512 112 E N -1.473 118.896 120.200 0.281 0.000 2.374 112 E HA 0.088 4.438 4.350 0.000 0.000 0.281 112 E C -2.253 174.626 176.600 0.467 0.000 1.170 112 E CA -0.647 56.016 56.400 0.437 0.000 0.919 112 E CB 0.651 30.447 29.700 0.159 0.000 1.218 112 E HN 0.553 nan 8.360 nan 0.000 0.425 113 Y N 3.541 124.019 120.300 0.297 0.000 2.562 113 Y HA 0.331 4.881 4.550 0.000 0.000 0.363 113 Y C -2.179 173.824 175.900 0.171 0.000 0.991 113 Y CA -1.781 56.438 58.100 0.198 0.000 1.121 113 Y CB 1.006 39.535 38.460 0.115 0.000 1.159 113 Y HN 0.476 nan 8.280 nan 0.000 0.651 114 P HA -0.303 nan 4.420 nan 0.000 0.232 114 P C -0.544 176.985 177.300 0.381 0.000 1.135 114 P CA 2.012 65.236 63.100 0.207 0.000 0.969 114 P CB 0.085 31.862 31.700 0.128 0.000 0.777 115 F N -2.926 117.158 119.950 0.224 0.000 2.656 115 F HA 0.282 4.809 4.527 0.000 0.000 0.326 115 F C -1.063 174.950 175.800 0.355 0.000 1.109 115 F CA -0.883 57.280 58.000 0.272 0.000 1.086 115 F CB 0.700 39.815 39.000 0.192 0.000 1.324 115 F HN -0.359 nan 8.300 nan 0.000 0.511 116 I N 5.858 126.484 120.570 0.094 0.000 2.382 116 I HA 0.038 4.208 4.170 0.000 0.000 0.297 116 I C 0.020 176.350 176.117 0.356 0.000 1.172 116 I CA -0.010 61.453 61.300 0.271 0.000 1.825 116 I CB -0.750 37.206 38.000 -0.074 0.000 1.509 116 I HN 0.349 nan 8.210 nan 0.000 0.842 117 N N 7.587 126.636 118.700 0.582 0.000 2.412 117 N HA 0.018 4.758 4.740 0.000 0.000 0.279 117 N C -1.103 174.577 175.510 0.283 0.000 1.287 117 N CA -0.818 52.510 53.050 0.463 0.000 0.948 117 N CB 0.530 39.193 38.487 0.293 0.000 1.255 117 N HN 0.356 nan 8.380 nan 0.000 0.485 118 P HA -0.196 nan 4.420 nan 0.000 0.218 118 P C 1.418 178.792 177.300 0.124 0.000 1.146 118 P CA 0.721 63.911 63.100 0.151 0.000 0.820 118 P CB 0.428 32.200 31.700 0.121 0.000 0.778 119 V N 0.475 120.460 119.914 0.118 0.000 2.720 119 V HA -0.135 3.985 4.120 0.000 0.000 0.256 119 V C 1.272 177.414 176.094 0.080 0.000 1.082 119 V CA 2.083 64.432 62.300 0.082 0.000 1.101 119 V CB -0.951 30.912 31.823 0.066 0.000 0.693 119 V HN -0.001 nan 8.190 nan 0.000 0.479 120 D N -0.402 120.067 120.400 0.116 0.000 2.462 120 D HA 0.201 4.841 4.640 0.000 0.000 0.221 120 D C 0.043 176.439 176.300 0.161 0.000 1.173 120 D CA 0.109 54.179 54.000 0.116 0.000 0.831 120 D CB 0.914 41.789 40.800 0.125 0.000 1.001 120 D HN 0.304 nan 8.370 nan 0.000 0.499 121 V N 2.148 122.156 119.914 0.157 0.000 2.432 121 V HA 0.061 4.181 4.120 0.000 0.000 0.271 121 V C 0.347 176.558 176.094 0.194 0.000 1.046 121 V CA -0.697 61.719 62.300 0.194 0.000 0.945 121 V CB 0.532 32.446 31.823 0.152 0.000 0.992 121 V HN 0.068 nan 8.190 nan 0.000 0.471 122 F N 5.650 125.664 119.950 0.108 0.000 2.474 122 F HA 0.054 4.581 4.527 0.000 0.000 0.375 122 F C 0.622 176.463 175.800 0.067 0.000 1.090 122 F CA 0.604 58.647 58.000 0.072 0.000 1.044 122 F CB -0.082 38.943 39.000 0.042 0.000 1.018 122 F HN 0.528 nan 8.300 nan 0.000 0.560 123 Q N 9.322 129.188 119.800 0.110 0.000 2.363 123 Q HA 0.377 4.717 4.340 0.000 0.000 0.265 123 Q C -2.852 173.187 176.000 0.065 0.000 1.032 123 Q CA -1.783 54.110 55.803 0.150 0.000 0.746 123 Q CB 2.047 30.833 28.738 0.079 0.000 1.237 123 Q HN 0.387 nan 8.270 nan 0.000 0.475 124 P HA 0.519 nan 4.420 nan 0.000 0.292 124 P C -2.768 174.598 177.300 0.109 0.000 1.304 124 P CA -2.111 61.087 63.100 0.163 0.000 0.848 124 P CB 0.431 32.364 31.700 0.388 0.000 1.260 125 P HA -0.015 nan 4.420 nan 0.000 0.247 125 P C 0.738 177.970 177.300 -0.113 0.000 1.147 125 P CA 0.569 63.670 63.100 0.002 0.000 0.964 125 P CB -0.654 30.910 31.700 -0.227 0.000 0.944 126 A N 4.276 127.141 122.820 0.074 0.000 2.285 126 A HA -0.139 4.181 4.320 0.000 0.000 0.214 126 A C 1.447 179.081 177.584 0.083 0.000 1.188 126 A CA 0.830 52.906 52.037 0.066 0.000 0.707 126 A CB -1.112 17.948 19.000 0.100 0.000 0.771 126 A HN 0.740 nan 8.150 nan 0.000 0.488 127 W N -0.818 120.483 121.300 0.001 0.000 2.735 127 W HA 0.096 4.756 4.660 -0.000 0.000 0.264 127 W C 1.210 177.702 176.519 -0.045 0.000 1.233 127 W CA 0.958 58.288 57.345 -0.025 0.000 1.408 127 W CB -0.950 28.487 29.460 -0.038 0.000 1.038 127 W HN 0.258 nan 8.180 nan 0.000 0.603 128 V N 1.067 120.288 119.914 -1.155 0.000 2.828 128 V HA -0.197 3.923 4.120 0.000 0.000 0.260 128 V C 2.122 177.956 176.094 -0.434 0.000 1.101 128 V CA 1.789 63.433 62.300 -1.094 0.000 1.123 128 V CB -1.085 29.889 31.823 -1.414 0.000 0.704 128 V HN 0.090 nan 8.190 nan 0.000 0.493 129 K N 0.724 120.962 120.400 -0.270 0.000 2.281 129 K HA -0.070 4.250 4.320 0.000 0.000 0.203 129 K C 0.167 176.718 176.600 -0.081 0.000 1.046 129 K CA 1.345 57.543 56.287 -0.149 0.000 0.938 129 K CB -0.172 32.275 32.500 -0.087 0.000 0.737 129 K HN 0.581 nan 8.250 nan 0.000 0.458 130 D N 0.062 120.442 120.400 -0.033 0.000 2.420 130 D HA 0.359 4.999 4.640 0.000 0.000 0.255 130 D C -1.344 175.015 176.300 0.097 0.000 1.185 130 D CA -0.003 54.021 54.000 0.041 0.000 0.904 130 D CB 1.609 42.453 40.800 0.074 0.000 1.102 130 D HN 0.067 nan 8.370 nan 0.000 0.534 131 A N 2.510 125.387 122.820 0.094 0.000 2.511 131 A HA 0.418 4.738 4.320 0.000 0.000 0.292 131 A C -1.185 176.555 177.584 0.259 0.000 1.045 131 A CA -0.627 51.514 52.037 0.174 0.000 0.870 131 A CB 0.451 19.577 19.000 0.210 0.000 1.361 131 A HN 0.287 nan 8.150 nan 0.000 0.396 132 I N 2.523 123.199 120.570 0.178 0.000 2.353 132 I HA 0.580 4.750 4.170 0.000 0.000 0.293 132 I C -0.620 175.654 176.117 0.261 0.000 0.992 132 I CA -0.166 61.292 61.300 0.262 0.000 1.268 132 I CB 0.619 38.797 38.000 0.296 0.000 1.387 132 I HN 0.480 nan 8.210 nan 0.000 0.478 133 F N 5.865 125.929 119.950 0.189 0.000 2.443 133 F HA 0.433 4.960 4.527 -0.000 0.000 0.335 133 F C -0.439 175.574 175.800 0.355 0.000 1.104 133 F CA -0.798 57.381 58.000 0.299 0.000 1.013 133 F CB 1.130 40.376 39.000 0.410 0.000 1.136 133 F HN 0.265 nan 8.300 nan 0.000 0.470 134 Y N 2.797 123.313 120.300 0.360 0.000 2.341 134 Y HA 0.388 4.938 4.550 -0.000 0.000 0.338 134 Y C -0.599 175.511 175.900 0.350 0.000 0.965 134 Y CA -0.705 57.574 58.100 0.300 0.000 1.108 134 Y CB 1.345 39.925 38.460 0.199 0.000 1.180 134 Y HN 0.600 nan 8.280 nan 0.000 0.458 135 Q N 8.014 127.896 119.800 0.137 0.000 2.348 135 Q HA 0.511 4.851 4.340 0.000 0.000 0.265 135 Q C -1.283 174.765 176.000 0.082 0.000 0.998 135 Q CA -0.791 55.196 55.803 0.306 0.000 0.831 135 Q CB 0.882 29.966 28.738 0.577 0.000 1.251 135 Q HN 0.808 nan 8.270 nan 0.000 0.456 136 I N 0.616 121.222 120.570 0.060 0.000 2.493 136 I HA 0.565 4.735 4.170 0.000 0.000 0.298 136 I C -1.358 174.611 176.117 -0.246 0.000 0.998 136 I CA -0.987 60.146 61.300 -0.278 0.000 1.137 136 I CB 1.402 39.124 38.000 -0.464 0.000 1.310 136 I HN 0.613 nan 8.210 nan 0.000 0.445 137 F N 8.402 127.988 119.950 -0.607 0.000 2.366 137 F HA 0.553 5.080 4.527 0.000 0.000 0.357 137 F C -2.150 173.472 175.800 -0.297 0.000 1.107 137 F CA -2.414 55.411 58.000 -0.292 0.000 1.208 137 F CB 0.720 39.694 39.000 -0.043 0.000 1.464 137 F HN 0.366 nan 8.300 nan 0.000 0.501 138 P HA -0.284 nan 4.420 nan 0.000 0.219 138 P C 1.135 178.552 177.300 0.194 0.000 1.159 138 P CA 1.758 64.862 63.100 0.006 0.000 0.944 138 P CB 0.209 31.898 31.700 -0.018 0.000 0.792 139 E N -1.045 119.318 120.200 0.270 0.000 2.526 139 E HA -0.144 4.206 4.350 0.000 0.000 0.206 139 E C 0.427 177.214 176.600 0.311 0.000 1.139 139 E CA 0.768 57.386 56.400 0.364 0.000 0.913 139 E CB -0.153 29.843 29.700 0.493 0.000 0.868 139 E HN 0.214 nan 8.360 nan 0.000 0.564 140 R N -1.384 119.242 120.500 0.209 0.000 2.521 140 R HA 0.089 4.429 4.340 0.000 0.000 0.436 140 R C 0.298 176.511 176.300 -0.145 0.000 0.917 140 R CA -0.105 55.920 56.100 -0.124 0.000 1.080 140 R CB -0.598 29.696 30.300 -0.010 0.000 1.530 140 R HN 0.054 nan 8.270 nan 0.000 0.596 141 F N 0.264 120.029 119.950 -0.308 0.000 2.581 141 F HA 0.636 5.163 4.527 -0.000 0.000 0.278 141 F C -0.447 175.320 175.800 -0.054 0.000 1.000 141 F CA 0.260 58.109 58.000 -0.251 0.000 1.230 141 F CB 0.907 39.733 39.000 -0.291 0.000 1.008 141 F HN -0.010 nan 8.300 nan 0.000 0.695 142 A N 0.754 123.494 122.820 -0.134 0.000 2.594 142 A HA 0.312 4.632 4.320 0.000 0.000 0.301 142 A C -1.572 176.021 177.584 0.015 0.000 1.022 142 A CA -0.588 51.346 52.037 -0.172 0.000 0.738 142 A CB -0.117 18.613 19.000 -0.450 0.000 1.263 142 A HN 0.265 nan 8.150 nan 0.000 0.409 143 N N 1.390 120.134 118.700 0.073 0.000 2.558 143 N HA 0.426 5.166 4.740 0.000 0.000 0.242 143 N C 0.841 176.390 175.510 0.065 0.000 0.979 143 N CA 0.194 53.311 53.050 0.111 0.000 0.931 143 N CB 1.001 39.604 38.487 0.193 0.000 1.122 143 N HN 0.892 nan 8.380 nan 0.000 0.508 144 G N 1.751 110.579 108.800 0.046 0.000 3.262 144 G HA2 0.012 3.972 3.960 0.000 0.000 0.228 144 G HA3 0.012 3.972 3.960 0.000 0.000 0.228 144 G C -0.140 174.760 174.900 0.001 0.000 1.197 144 G CA 0.210 45.315 45.100 0.008 0.000 0.819 144 G HN 0.613 nan 8.290 nan 0.000 0.531 145 D N -2.125 118.282 120.400 0.012 0.000 2.747 145 D HA 0.051 4.691 4.640 0.000 0.000 0.218 145 D C 0.846 177.148 176.300 0.002 0.000 1.230 145 D CA -0.353 53.648 54.000 0.001 0.000 0.774 145 D CB 0.913 41.711 40.800 -0.003 0.000 1.667 145 D HN -0.113 nan 8.370 nan 0.000 0.499 146 T N 1.500 116.052 114.554 -0.003 0.000 2.946 146 T HA -0.101 4.249 4.350 0.000 0.000 0.271 146 T C 1.008 175.698 174.700 -0.016 0.000 1.104 146 T CA 0.786 62.883 62.100 -0.006 0.000 1.114 146 T CB -0.103 68.760 68.868 -0.008 0.000 0.867 146 T HN 0.106 nan 8.240 nan 0.000 0.513 147 R N 2.846 123.334 120.500 -0.020 0.000 2.609 147 R HA 0.239 4.579 4.340 0.000 0.000 0.271 147 R C 0.976 177.241 176.300 -0.058 0.000 1.403 147 R CA -0.057 56.023 56.100 -0.033 0.000 1.138 147 R CB -0.379 29.907 30.300 -0.024 0.000 1.142 147 R HN 0.705 nan 8.270 nan 0.000 0.559 148 N N -0.031 118.626 118.700 -0.071 0.000 2.868 148 N HA 0.136 4.876 4.740 0.000 0.000 0.185 148 N C -0.904 174.522 175.510 -0.140 0.000 1.654 148 N CA -0.682 52.298 53.050 -0.116 0.000 1.278 148 N CB 0.617 39.062 38.487 -0.069 0.000 0.898 148 N HN 0.051 nan 8.380 nan 0.000 0.692 149 D N -0.339 119.997 120.400 -0.107 0.000 2.523 149 D HA 0.367 5.007 4.640 0.000 0.000 0.236 149 D C -2.267 174.003 176.300 -0.050 0.000 1.094 149 D CA -1.368 52.559 54.000 -0.123 0.000 0.942 149 D CB 2.112 42.803 40.800 -0.183 0.000 1.447 149 D HN 0.113 nan 8.370 nan 0.000 0.479 150 P HA -0.031 nan 4.420 nan 0.000 0.229 150 P C -0.662 176.651 177.300 0.021 0.000 1.150 150 P CA 1.032 64.130 63.100 -0.003 0.000 0.765 150 P CB 0.366 32.071 31.700 0.007 0.000 0.783 151 E N -1.969 118.259 120.200 0.045 0.000 2.433 151 E HA 0.591 4.941 4.350 0.000 0.000 0.278 151 E C -0.733 175.892 176.600 0.042 0.000 0.976 151 E CA -1.014 55.417 56.400 0.052 0.000 0.793 151 E CB 2.319 32.074 29.700 0.091 0.000 1.311 151 E HN -0.056 nan 8.360 nan 0.000 0.460 152 G N 0.328 109.121 108.800 -0.011 0.000 2.931 152 G HA2 0.095 4.055 3.960 0.000 0.000 0.675 152 G HA3 0.095 4.055 3.960 0.000 0.000 0.675 152 G C -0.168 174.588 174.900 -0.240 0.000 1.339 152 G CA -0.069 44.957 45.100 -0.123 0.000 0.866 152 G HN 0.634 nan 8.290 nan 0.000 0.616 153 T N -0.779 113.566 114.554 -0.348 0.000 2.709 153 T HA 0.799 5.149 4.350 0.000 0.000 0.147 153 T C 0.301 174.769 174.700 -0.387 0.000 0.821 153 T CA 0.377 62.314 62.100 -0.271 0.000 0.830 153 T CB 0.676 69.497 68.868 -0.079 0.000 2.347 153 T HN 1.267 nan 8.240 nan 0.000 0.351 154 L N 1.533 122.693 121.223 -0.104 0.000 2.518 154 L HA 0.607 4.947 4.340 0.000 0.000 0.257 154 L C -2.684 174.280 176.870 0.156 0.000 0.980 154 L CA -2.352 52.515 54.840 0.046 0.000 0.837 154 L CB 2.244 44.363 42.059 0.101 0.000 1.410 154 L HN 0.323 nan 8.230 nan 0.000 0.410 155 P HA -0.131 nan 4.420 nan 0.000 0.275 155 P C -0.741 176.536 177.300 -0.038 0.000 1.227 155 P CA 0.502 63.471 63.100 -0.218 0.000 0.808 155 P CB 0.292 31.908 31.700 -0.139 0.000 0.858 156 W N -1.762 119.566 121.300 0.047 0.000 4.487 156 W HA 0.338 4.998 4.660 0.000 0.000 0.172 156 W C 0.643 177.178 176.519 0.027 0.000 3.466 156 W CA 0.400 57.763 57.345 0.030 0.000 1.158 156 W CB -1.132 28.339 29.460 0.019 0.000 2.109 156 W HN 0.431 nan 8.180 nan 0.000 0.357 157 G N 1.605 110.623 108.800 0.363 0.000 2.744 157 G HA2 0.254 4.214 3.960 0.000 0.000 0.257 157 G HA3 0.254 4.214 3.960 0.000 0.000 0.257 157 G C 0.413 175.312 174.900 -0.003 0.000 1.244 157 G CA 0.641 45.853 45.100 0.187 0.000 0.916 157 G HN 0.369 nan 8.290 nan 0.000 0.564 158 S N -1.565 114.139 115.700 0.008 0.000 2.526 158 S HA 0.617 5.087 4.470 0.000 0.000 0.245 158 S C 0.724 175.303 174.600 -0.035 0.000 1.103 158 S CA 0.443 58.625 58.200 -0.029 0.000 1.095 158 S CB 0.651 63.848 63.200 -0.005 0.000 0.826 158 S HN 1.370 nan 8.310 nan 0.000 0.468 159 A N 1.810 124.600 122.820 -0.050 0.000 1.519 159 A HA 0.240 4.560 4.320 0.000 0.000 0.210 159 A C 0.404 177.954 177.584 -0.057 0.000 1.889 159 A CA 0.361 52.377 52.037 -0.036 0.000 1.478 159 A CB 0.090 19.092 19.000 0.002 0.000 1.432 159 A HN 0.540 nan 8.150 nan 0.000 0.340 160 D N 0.159 120.529 120.400 -0.050 0.000 3.008 160 D HA 0.260 4.900 4.640 0.000 0.000 0.312 160 D C -2.481 173.689 176.300 -0.218 0.000 1.361 160 D CA -0.983 52.992 54.000 -0.041 0.000 0.858 160 D CB 0.096 40.947 40.800 0.084 0.000 1.098 160 D HN 0.123 nan 8.370 nan 0.000 0.482 161 P HA 0.068 nan 4.420 nan 0.000 0.269 161 P C -0.312 176.666 177.300 -0.536 0.000 1.601 161 P CA 0.582 62.877 63.100 -1.341 0.000 0.831 161 P CB -0.366 30.757 31.700 -0.962 0.000 1.688 162 T N -4.215 110.264 114.554 -0.125 0.000 3.198 162 T HA 0.332 4.682 4.350 0.000 0.000 0.352 162 T C -2.785 171.998 174.700 0.139 0.000 1.197 162 T CA -2.053 60.079 62.100 0.052 0.000 1.427 162 T CB 1.058 69.909 68.868 -0.029 0.000 0.983 162 T HN -0.201 nan 8.240 nan 0.000 0.560 163 P HA 0.254 nan 4.420 nan 0.000 0.259 163 P C 0.016 177.347 177.300 0.053 0.000 1.480 163 P CA -0.020 63.170 63.100 0.150 0.000 0.842 163 P CB -0.310 31.484 31.700 0.156 0.000 1.513 164 S N -2.135 113.586 115.700 0.034 0.000 3.706 164 S HA -0.136 4.334 4.470 0.000 0.000 0.363 164 S C 0.250 174.819 174.600 -0.053 0.000 0.999 164 S CA 0.500 58.691 58.200 -0.016 0.000 1.143 164 S CB -2.373 60.794 63.200 -0.056 0.000 0.902 164 S HN 0.405 nan 8.310 nan 0.000 0.476 165 C N 0.447 119.727 119.300 -0.034 0.000 3.086 165 C HA 0.643 5.103 4.460 0.000 0.000 0.311 165 C C 0.210 175.178 174.990 -0.036 0.000 1.260 165 C CA -1.404 57.492 59.018 -0.203 0.000 1.426 165 C CB 0.488 28.142 27.740 -0.144 0.000 1.826 165 C HN 0.515 nan 8.230 nan 0.000 0.474 166 F N 1.632 121.703 119.950 0.202 0.000 2.613 166 F HA 0.117 4.644 4.527 0.000 0.000 0.373 166 F C 0.762 176.708 175.800 0.244 0.000 1.085 166 F CA 0.451 58.577 58.000 0.210 0.000 1.309 166 F CB -0.188 38.889 39.000 0.127 0.000 0.986 166 F HN 0.714 nan 8.300 nan 0.000 0.592 167 F N 0.820 120.959 119.950 0.316 0.000 2.478 167 F HA 0.525 5.052 4.527 0.000 0.000 0.260 167 F C 1.794 177.688 175.800 0.157 0.000 0.974 167 F CA 1.293 59.424 58.000 0.217 0.000 1.075 167 F CB 0.224 39.344 39.000 0.200 0.000 1.165 167 F HN 0.472 nan 8.300 nan 0.000 0.692 168 G N -0.856 108.376 108.800 0.719 0.000 3.953 168 G HA2 0.060 4.020 3.960 0.000 0.000 0.175 168 G HA3 0.060 4.020 3.960 0.000 0.000 0.175 168 G C 0.738 175.811 174.900 0.289 0.000 0.875 168 G CA -0.075 45.261 45.100 0.394 0.000 0.908 168 G HN 0.723 nan 8.290 nan 0.000 0.367 169 G N 1.764 110.781 108.800 0.362 0.000 2.578 169 G HA2 0.269 4.229 3.960 0.000 0.000 0.287 169 G HA3 0.269 4.229 3.960 0.000 0.000 0.287 169 G C -0.044 174.898 174.900 0.071 0.000 0.568 169 G CA 0.903 46.089 45.100 0.143 0.000 1.150 169 G HN 0.311 nan 8.290 nan 0.000 0.251 170 D N 1.217 121.651 120.400 0.056 0.000 2.425 170 D HA 0.197 4.837 4.640 0.000 0.000 0.274 170 D C 1.751 178.174 176.300 0.204 0.000 1.242 170 D CA -0.752 53.258 54.000 0.015 0.000 1.060 170 D CB 0.587 41.392 40.800 0.009 0.000 1.112 170 D HN 0.219 nan 8.370 nan 0.000 0.561 171 L N -0.182 121.178 121.223 0.228 0.000 2.121 171 L HA -0.097 4.243 4.340 0.000 0.000 0.200 171 L C 2.143 179.071 176.870 0.096 0.000 1.077 171 L CA 0.598 55.548 54.840 0.183 0.000 0.766 171 L CB -0.200 41.961 42.059 0.170 0.000 0.931 171 L HN 0.189 nan 8.230 nan 0.000 0.452 172 Q N 0.272 120.118 119.800 0.077 0.000 2.066 172 Q HA -0.314 4.026 4.340 0.000 0.000 0.216 172 Q C 1.924 177.950 176.000 0.044 0.000 1.035 172 Q CA 2.465 58.294 55.803 0.043 0.000 0.897 172 Q CB -1.220 27.531 28.738 0.022 0.000 1.010 172 Q HN 0.730 nan 8.270 nan 0.000 0.416 173 G N 0.340 109.177 108.800 0.061 0.000 2.740 173 G HA2 -0.366 3.594 3.960 0.000 0.000 0.224 173 G HA3 -0.366 3.594 3.960 0.000 0.000 0.224 173 G C 1.622 176.635 174.900 0.189 0.000 1.156 173 G CA 2.224 47.389 45.100 0.108 0.000 0.766 173 G HN 0.333 nan 8.290 nan 0.000 0.623 174 V N 1.386 121.435 119.914 0.224 0.000 2.215 174 V HA -0.307 3.813 4.120 0.000 0.000 0.249 174 V C 2.742 178.955 176.094 0.198 0.000 1.054 174 V CA 2.141 64.626 62.300 0.309 0.000 1.012 174 V CB -0.763 31.148 31.823 0.147 0.000 0.639 174 V HN 0.487 nan 8.190 nan 0.000 0.448 175 I N 0.213 120.840 120.570 0.095 0.000 2.109 175 I HA -0.406 3.764 4.170 0.000 0.000 0.233 175 I C 2.589 178.705 176.117 -0.002 0.000 1.005 175 I CA 2.491 63.820 61.300 0.049 0.000 1.294 175 I CB -0.768 37.243 38.000 0.019 0.000 1.005 175 I HN 0.508 nan 8.210 nan 0.000 0.392 176 D N 0.149 120.491 120.400 -0.097 0.000 2.220 176 D HA -0.253 4.387 4.640 0.000 0.000 0.198 176 D C 1.653 177.747 176.300 -0.344 0.000 1.001 176 D CA 1.603 55.454 54.000 -0.249 0.000 0.875 176 D CB -0.152 40.418 40.800 -0.384 0.000 0.921 176 D HN 0.491 nan 8.370 nan 0.000 0.454 177 H N -0.360 118.646 119.070 -0.107 0.000 2.519 177 H HA 0.065 4.621 4.556 -0.000 0.000 0.289 177 H C 1.650 177.063 175.328 0.141 0.000 1.040 177 H CA -0.296 55.678 56.048 -0.124 0.000 1.165 177 H CB 0.519 30.059 29.762 -0.370 0.000 1.462 177 H HN 0.168 nan 8.280 nan 0.000 0.555 178 L N 1.731 123.060 121.223 0.178 0.000 1.943 178 L HA -0.237 4.103 4.340 0.000 0.000 0.215 178 L C 2.359 179.347 176.870 0.197 0.000 1.074 178 L CA 2.168 57.113 54.840 0.175 0.000 0.759 178 L CB -0.691 41.429 42.059 0.102 0.000 0.888 178 L HN 0.357 nan 8.230 nan 0.000 0.433 179 D N -1.494 118.998 120.400 0.153 0.000 3.048 179 D HA -0.426 4.214 4.640 0.000 0.000 0.192 179 D C 2.029 178.462 176.300 0.223 0.000 1.125 179 D CA 2.384 56.477 54.000 0.155 0.000 0.878 179 D CB -1.210 39.666 40.800 0.126 0.000 0.924 179 D HN 0.585 nan 8.370 nan 0.000 0.496 180 H N 1.668 120.867 119.070 0.216 0.000 2.330 180 H HA -0.170 4.386 4.556 0.000 0.000 0.290 180 H C 2.378 177.801 175.328 0.158 0.000 1.111 180 H CA 2.093 58.285 56.048 0.240 0.000 1.226 180 H CB -0.537 29.442 29.762 0.360 0.000 1.355 180 H HN 0.320 nan 8.280 nan 0.000 0.485 181 L N -0.206 121.202 121.223 0.307 0.000 1.970 181 L HA -0.190 4.150 4.340 0.000 0.000 0.212 181 L C 2.894 179.841 176.870 0.129 0.000 1.071 181 L CA 1.704 56.616 54.840 0.120 0.000 0.751 181 L CB -0.732 41.308 42.059 -0.032 0.000 0.889 181 L HN 0.164 nan 8.230 nan 0.000 0.432 182 S N -0.500 115.266 115.700 0.110 0.000 2.442 182 S HA -0.133 4.337 4.470 0.000 0.000 0.236 182 S C 1.776 176.430 174.600 0.090 0.000 1.007 182 S CA 1.068 59.320 58.200 0.086 0.000 0.965 182 S CB -0.141 63.101 63.200 0.071 0.000 0.773 182 S HN 0.357 nan 8.310 nan 0.000 0.504 183 K N 0.476 120.943 120.400 0.111 0.000 2.439 183 K HA 0.132 4.452 4.320 0.000 0.000 0.197 183 K C 1.667 178.340 176.600 0.122 0.000 1.041 183 K CA 0.475 56.828 56.287 0.110 0.000 0.970 183 K CB 0.016 32.578 32.500 0.104 0.000 0.773 183 K HN 0.329 nan 8.250 nan 0.000 0.479 184 L N -1.218 120.089 121.223 0.140 0.000 2.349 184 L HA 0.123 4.463 4.340 0.000 0.000 0.200 184 L C 0.896 177.824 176.870 0.096 0.000 1.064 184 L CA 0.813 55.744 54.840 0.152 0.000 0.821 184 L CB 0.588 42.827 42.059 0.300 0.000 1.027 184 L HN 0.396 nan 8.230 nan 0.000 0.476 185 G N 0.099 108.967 108.800 0.113 0.000 2.145 185 G HA2 -0.164 3.796 3.960 0.000 0.000 0.145 185 G HA3 -0.164 3.796 3.960 0.000 0.000 0.145 185 G C -0.099 174.881 174.900 0.133 0.000 1.017 185 G CA -0.003 45.154 45.100 0.095 0.000 0.682 185 G HN 0.107 nan 8.290 nan 0.000 0.504 186 V N 0.455 120.466 119.914 0.162 0.000 3.133 186 V HA 0.434 4.554 4.120 0.000 0.000 0.305 186 V C 1.155 177.306 176.094 0.096 0.000 1.084 186 V CA -0.138 62.274 62.300 0.186 0.000 1.089 186 V CB 1.481 33.463 31.823 0.266 0.000 1.073 186 V HN 0.288 nan 8.190 nan 0.000 0.477 187 N N 0.421 119.151 118.700 0.050 0.000 2.830 187 N HA 0.272 5.012 4.740 0.000 0.000 0.232 187 N C 0.490 175.923 175.510 -0.129 0.000 1.062 187 N CA 0.555 53.580 53.050 -0.042 0.000 1.204 187 N CB -0.166 38.292 38.487 -0.048 0.000 1.589 187 N HN 0.737 nan 8.380 nan 0.000 0.604 188 A N 1.100 123.705 122.820 -0.358 0.000 2.366 188 A HA 0.487 4.807 4.320 0.000 0.000 0.249 188 A C -0.240 177.257 177.584 -0.146 0.000 1.084 188 A CA -0.089 51.680 52.037 -0.447 0.000 0.794 188 A CB 0.481 18.737 19.000 -1.240 0.000 1.034 188 A HN 0.106 nan 8.150 nan 0.000 0.491 189 V N 2.241 122.113 119.914 -0.070 0.000 2.380 189 V HA 0.118 4.238 4.120 0.000 0.000 0.272 189 V C -0.936 175.153 176.094 -0.008 0.000 1.011 189 V CA -0.402 61.962 62.300 0.107 0.000 0.826 189 V CB 0.454 32.369 31.823 0.154 0.000 1.040 189 V HN 0.765 nan 8.190 nan 0.000 0.441 190 Y N 5.767 126.175 120.300 0.180 0.000 2.650 190 Y HA 0.377 4.927 4.550 0.000 0.000 0.342 190 Y C -0.114 175.956 175.900 0.282 0.000 1.110 190 Y CA -0.596 57.611 58.100 0.178 0.000 1.438 190 Y CB -0.166 38.502 38.460 0.348 0.000 1.181 190 Y HN 0.477 nan 8.280 nan 0.000 0.526 191 F N 3.016 122.809 119.950 -0.262 0.000 2.266 191 F HA 0.476 5.003 4.527 0.000 0.000 0.306 191 F C 0.918 176.304 175.800 -0.690 0.000 1.016 191 F CA -0.443 57.308 58.000 -0.414 0.000 1.127 191 F CB 0.951 39.775 39.000 -0.293 0.000 1.735 191 F HN 0.368 nan 8.300 nan 0.000 0.540 192 T N -1.547 112.824 114.554 -0.305 0.000 2.865 192 T HA 0.405 4.755 4.350 0.000 0.000 0.294 192 T C -3.021 171.374 174.700 -0.508 0.000 1.119 192 T CA -2.260 59.593 62.100 -0.413 0.000 1.007 192 T CB 1.638 70.256 68.868 -0.417 0.000 1.225 192 T HN 0.141 nan 8.240 nan 0.000 0.515 193 P HA 0.179 nan 4.420 nan 0.000 0.264 193 P C 0.308 177.148 177.300 -0.767 0.000 1.193 193 P CA -0.201 62.407 63.100 -0.820 0.000 0.763 193 P CB 0.307 31.427 31.700 -0.968 0.000 0.810 194 L N 0.318 121.058 121.223 -0.805 0.000 3.431 194 L HA 0.448 4.788 4.340 0.000 0.000 0.316 194 L C -0.114 176.697 176.870 -0.098 0.000 1.305 194 L CA -0.556 53.885 54.840 -0.664 0.000 0.995 194 L CB -0.391 41.101 42.059 -0.945 0.000 1.411 194 L HN 0.062 nan 8.230 nan 0.000 0.610 195 F N 0.286 120.065 119.950 -0.284 0.000 2.403 195 F HA 0.452 4.979 4.527 0.000 0.000 0.326 195 F C 0.930 176.685 175.800 -0.075 0.000 1.099 195 F CA -1.484 56.438 58.000 -0.130 0.000 1.036 195 F CB 0.650 39.561 39.000 -0.148 0.000 1.336 195 F HN -0.152 nan 8.300 nan 0.000 0.497 196 K N 1.904 122.427 120.400 0.205 0.000 2.320 196 K HA 0.121 4.441 4.320 0.000 0.000 0.269 196 K C -0.697 175.919 176.600 0.026 0.000 1.182 196 K CA 0.141 56.497 56.287 0.114 0.000 1.190 196 K CB -0.325 32.249 32.500 0.123 0.000 0.850 196 K HN 0.634 nan 8.250 nan 0.000 0.467 197 A N 2.650 125.482 122.820 0.021 0.000 2.684 197 A HA 0.134 4.454 4.320 0.000 0.000 0.289 197 A C 0.166 177.773 177.584 0.038 0.000 1.139 197 A CA -0.853 51.168 52.037 -0.026 0.000 0.793 197 A CB 0.337 19.257 19.000 -0.133 0.000 1.334 197 A HN 0.533 nan 8.150 nan 0.000 0.408 198 T N 0.858 115.449 114.554 0.062 0.000 3.333 198 T HA 0.435 4.785 4.350 0.000 0.000 0.240 198 T C 0.281 175.113 174.700 0.220 0.000 0.961 198 T CA 0.726 62.901 62.100 0.125 0.000 1.215 198 T CB -1.394 67.540 68.868 0.111 0.000 1.031 198 T HN 1.437 nan 8.240 nan 0.000 0.709 199 T N -0.370 114.380 114.554 0.327 0.000 3.087 199 T HA 0.305 4.655 4.350 0.000 0.000 0.351 199 T C 0.695 175.704 174.700 0.515 0.000 1.520 199 T CA -0.888 61.395 62.100 0.305 0.000 1.111 199 T CB 0.826 69.638 68.868 -0.094 0.000 1.353 199 T HN 0.317 nan 8.240 nan 0.000 0.481 200 N N 0.516 119.397 118.700 0.302 0.000 2.258 200 N HA -0.199 4.541 4.740 0.000 0.000 0.187 200 N C 0.629 176.480 175.510 0.569 0.000 1.012 200 N CA 1.434 54.681 53.050 0.328 0.000 0.870 200 N CB -0.556 37.941 38.487 0.015 0.000 0.977 200 N HN 0.933 nan 8.380 nan 0.000 0.434 201 H N -1.321 117.944 119.070 0.326 0.000 2.638 201 H HA 0.377 4.933 4.556 0.000 0.000 0.317 201 H C -0.741 174.736 175.328 0.248 0.000 1.006 201 H CA -1.132 55.136 56.048 0.368 0.000 1.222 201 H CB 0.781 30.802 29.762 0.430 0.000 1.419 201 H HN -0.145 nan 8.280 nan 0.000 0.489 202 K N 4.269 124.641 120.400 -0.047 0.000 2.086 202 K HA -0.003 4.317 4.320 0.000 0.000 0.215 202 K C -0.605 175.653 176.600 -0.570 0.000 1.207 202 K CA 0.226 56.351 56.287 -0.269 0.000 1.206 202 K CB -0.866 31.459 32.500 -0.292 0.000 1.253 202 K HN 0.679 nan 8.250 nan 0.000 0.234 203 Y N -1.376 118.726 120.300 -0.330 0.000 2.432 203 Y HA 0.007 4.557 4.550 -0.000 0.000 0.252 203 Y C 1.437 177.161 175.900 -0.294 0.000 1.097 203 Y CA -0.386 57.532 58.100 -0.303 0.000 1.250 203 Y CB 0.582 38.919 38.460 -0.206 0.000 1.245 203 Y HN 0.319 nan 8.280 nan 0.000 0.522 204 D N 0.593 120.901 120.400 -0.153 0.000 2.371 204 D HA -0.085 4.555 4.640 0.000 0.000 0.234 204 D C 0.584 176.816 176.300 -0.113 0.000 1.049 204 D CA 0.414 54.357 54.000 -0.094 0.000 0.907 204 D CB -0.109 40.661 40.800 -0.049 0.000 0.891 204 D HN -0.028 nan 8.370 nan 0.000 0.531 205 T N 0.386 114.802 114.554 -0.230 0.000 2.343 205 T HA -0.265 4.085 4.350 0.000 0.000 0.183 205 T C 0.669 175.262 174.700 -0.178 0.000 1.034 205 T CA 1.152 63.044 62.100 -0.347 0.000 1.198 205 T CB 0.065 68.520 68.868 -0.688 0.000 0.977 205 T HN 0.477 nan 8.240 nan 0.000 0.433 206 E N 2.846 123.034 120.200 -0.020 0.000 2.541 206 E HA 0.091 4.441 4.350 0.000 0.000 0.219 206 E C -0.322 176.488 176.600 0.351 0.000 0.922 206 E CA -0.143 56.418 56.400 0.268 0.000 1.095 206 E CB 0.682 30.479 29.700 0.163 0.000 1.112 206 E HN 0.678 nan 8.360 nan 0.000 0.516 207 D N -0.644 119.864 120.400 0.180 0.000 2.300 207 D HA 0.068 4.708 4.640 0.000 0.000 0.218 207 D C -0.303 176.143 176.300 0.243 0.000 1.326 207 D CA -0.341 53.833 54.000 0.290 0.000 0.942 207 D CB -0.109 40.829 40.800 0.230 0.000 1.495 207 D HN -0.110 nan 8.370 nan 0.000 0.545 208 Y N 2.035 122.549 120.300 0.357 0.000 2.092 208 Y HA -0.070 4.480 4.550 -0.000 0.000 0.282 208 Y C 2.085 178.074 175.900 0.149 0.000 1.126 208 Y CA 1.011 59.357 58.100 0.410 0.000 1.111 208 Y CB -0.595 38.053 38.460 0.314 0.000 0.987 208 Y HN 0.358 nan 8.280 nan 0.000 0.489 209 F N 0.224 120.407 119.950 0.390 0.000 2.141 209 F HA -0.247 4.280 4.527 0.000 0.000 0.300 209 F C 1.472 177.313 175.800 0.069 0.000 1.079 209 F CA 1.336 59.296 58.000 -0.066 0.000 1.264 209 F CB -0.990 37.834 39.000 -0.293 0.000 1.011 209 F HN 0.123 nan 8.300 nan 0.000 0.487 210 Q N 1.332 121.319 119.800 0.311 0.000 2.441 210 Q HA 0.286 4.626 4.340 0.000 0.000 0.234 210 Q C -0.136 175.995 176.000 0.218 0.000 1.078 210 Q CA -0.334 55.612 55.803 0.238 0.000 0.907 210 Q CB 0.151 29.011 28.738 0.203 0.000 1.269 210 Q HN 0.221 nan 8.270 nan 0.000 0.502 211 I N 2.416 123.126 120.570 0.233 0.000 2.932 211 I HA -0.138 4.032 4.170 0.000 0.000 0.295 211 I C 0.783 177.054 176.117 0.257 0.000 1.227 211 I CA 0.431 61.871 61.300 0.233 0.000 1.429 211 I CB 0.323 38.481 38.000 0.263 0.000 1.339 211 I HN 0.604 nan 8.210 nan 0.000 0.589 212 D N 8.287 128.873 120.400 0.311 0.000 2.382 212 D HA 0.034 4.674 4.640 0.000 0.000 0.259 212 D C -1.438 175.028 176.300 0.277 0.000 1.224 212 D CA -1.435 52.733 54.000 0.280 0.000 0.894 212 D CB 1.112 42.127 40.800 0.359 0.000 1.127 212 D HN 0.270 nan 8.370 nan 0.000 0.487 213 P HA -0.140 nan 4.420 nan 0.000 0.234 213 P C 0.531 177.811 177.300 -0.034 0.000 1.162 213 P CA 0.776 63.919 63.100 0.072 0.000 0.759 213 P CB 0.194 31.916 31.700 0.036 0.000 0.813 214 Q N -1.684 118.016 119.800 -0.167 0.000 2.472 214 Q HA 0.026 4.366 4.340 0.000 0.000 0.208 214 Q C 0.847 176.431 176.000 -0.692 0.000 0.958 214 Q CA 0.923 56.419 55.803 -0.511 0.000 0.932 214 Q CB -0.222 28.031 28.738 -0.808 0.000 1.007 214 Q HN 0.408 nan 8.270 nan 0.000 0.508 215 F N -1.254 118.692 119.950 -0.007 0.000 2.729 215 F HA 0.423 4.950 4.527 0.000 0.000 0.304 215 F C 1.112 176.918 175.800 0.011 0.000 1.008 215 F CA 0.175 58.170 58.000 -0.009 0.000 1.188 215 F CB 0.961 39.939 39.000 -0.037 0.000 0.980 215 F HN 0.033 nan 8.300 nan 0.000 0.627 216 G N 0.355 109.289 108.800 0.223 0.000 2.320 216 G HA2 0.232 4.192 3.960 0.000 0.000 0.274 216 G HA3 0.232 4.192 3.960 0.000 0.000 0.274 216 G C -2.075 172.926 174.900 0.168 0.000 1.324 216 G CA -0.521 44.671 45.100 0.152 0.000 0.957 216 G HN 0.167 nan 8.290 nan 0.000 0.481 217 D N -0.750 119.736 120.400 0.144 0.000 2.549 217 D HA 0.506 5.146 4.640 0.000 0.000 0.270 217 D C 1.596 178.015 176.300 0.199 0.000 1.181 217 D CA -0.094 53.999 54.000 0.157 0.000 1.070 217 D CB 0.836 41.701 40.800 0.108 0.000 1.154 217 D HN 0.735 nan 8.370 nan 0.000 0.602 218 K N -0.469 120.059 120.400 0.213 0.000 2.147 218 K HA -0.180 4.140 4.320 0.000 0.000 0.205 218 K C 0.712 177.420 176.600 0.180 0.000 1.049 218 K CA 1.210 57.655 56.287 0.264 0.000 0.936 218 K CB -0.300 32.273 32.500 0.122 0.000 0.722 218 K HN 0.313 nan 8.250 nan 0.000 0.446 219 D N 1.697 122.165 120.400 0.112 0.000 2.078 219 D HA -0.148 4.492 4.640 0.000 0.000 0.193 219 D C 2.161 178.511 176.300 0.084 0.000 0.990 219 D CA 2.464 56.510 54.000 0.076 0.000 0.827 219 D CB -0.491 40.339 40.800 0.050 0.000 0.975 219 D HN 0.491 nan 8.370 nan 0.000 0.451 220 T N 0.561 115.168 114.554 0.088 0.000 2.714 220 T HA -0.243 4.107 4.350 0.000 0.000 0.268 220 T C 2.025 176.778 174.700 0.088 0.000 1.036 220 T CA 1.290 63.438 62.100 0.080 0.000 1.148 220 T CB -0.510 68.412 68.868 0.089 0.000 0.856 220 T HN 0.053 nan 8.240 nan 0.000 0.462 221 L N 0.791 122.090 121.223 0.126 0.000 2.102 221 L HA 0.275 4.615 4.340 0.000 0.000 0.202 221 L C 2.444 179.388 176.870 0.123 0.000 1.076 221 L CA 1.604 56.526 54.840 0.136 0.000 0.761 221 L CB -0.887 41.295 42.059 0.204 0.000 0.921 221 L HN 0.039 nan 8.230 nan 0.000 0.444 222 K N 0.915 121.393 120.400 0.130 0.000 1.988 222 K HA -0.274 4.046 4.320 0.000 0.000 0.221 222 K C 2.045 178.663 176.600 0.032 0.000 1.053 222 K CA 2.356 58.690 56.287 0.079 0.000 0.959 222 K CB -0.458 32.079 32.500 0.062 0.000 0.728 222 K HN 0.389 nan 8.250 nan 0.000 0.447 223 K N 0.776 121.196 120.400 0.034 0.000 2.097 223 K HA -0.215 4.105 4.320 0.000 0.000 0.214 223 K C 2.307 178.914 176.600 0.013 0.000 1.052 223 K CA 2.008 58.306 56.287 0.018 0.000 0.932 223 K CB -0.383 32.131 32.500 0.024 0.000 0.716 223 K HN 0.234 nan 8.250 nan 0.000 0.455 224 L N 0.874 122.114 121.223 0.030 0.000 1.955 224 L HA -0.254 4.086 4.340 0.000 0.000 0.213 224 L C 2.209 179.080 176.870 0.001 0.000 1.072 224 L CA 1.418 56.280 54.840 0.036 0.000 0.755 224 L CB -0.346 41.754 42.059 0.067 0.000 0.888 224 L HN 0.010 nan 8.230 nan 0.000 0.432 225 V N 0.503 120.393 119.914 -0.040 0.000 2.220 225 V HA -0.417 3.703 4.120 0.000 0.000 0.250 225 V C 2.139 178.043 176.094 -0.318 0.000 1.056 225 V CA 2.495 64.651 62.300 -0.240 0.000 1.016 225 V CB -0.910 30.719 31.823 -0.324 0.000 0.639 225 V HN 0.558 nan 8.190 nan 0.000 0.446 226 D N -0.327 119.958 120.400 -0.192 0.000 2.190 226 D HA -0.161 4.479 4.640 0.000 0.000 0.200 226 D C 2.053 178.348 176.300 -0.009 0.000 0.992 226 D CA 1.107 55.061 54.000 -0.078 0.000 0.854 226 D CB -0.251 40.531 40.800 -0.031 0.000 0.936 226 D HN 0.357 nan 8.370 nan 0.000 0.462 227 L N 0.348 121.565 121.223 -0.011 0.000 2.027 227 L HA -0.156 4.184 4.340 0.000 0.000 0.206 227 L C 2.562 179.453 176.870 0.035 0.000 1.074 227 L CA 1.205 56.055 54.840 0.016 0.000 0.745 227 L CB -0.402 41.669 42.059 0.019 0.000 0.898 227 L HN 0.349 nan 8.230 nan 0.000 0.433 228 C N -2.575 116.747 119.300 0.037 0.000 2.466 228 C HA -0.109 4.351 4.460 0.000 0.000 0.278 228 C C 2.477 177.534 174.990 0.110 0.000 1.288 228 C CA 0.155 59.214 59.018 0.067 0.000 1.722 228 C CB -1.491 26.294 27.740 0.076 0.000 2.017 228 C HN 0.473 nan 8.230 nan 0.000 0.488 229 H N 0.991 120.043 119.070 -0.031 0.000 2.353 229 H HA -0.207 4.349 4.556 0.000 0.000 0.298 229 H C 2.321 177.619 175.328 -0.050 0.000 1.103 229 H CA 1.775 57.785 56.048 -0.064 0.000 1.293 229 H CB -0.168 29.552 29.762 -0.070 0.000 1.372 229 H HN 0.632 nan 8.280 nan 0.000 0.501 230 E N 1.014 121.278 120.200 0.106 0.000 2.396 230 E HA -0.154 4.196 4.350 0.000 0.000 0.200 230 E C 1.224 177.841 176.600 0.028 0.000 1.023 230 E CA 0.638 57.066 56.400 0.047 0.000 0.857 230 E CB 0.189 29.911 29.700 0.036 0.000 0.775 230 E HN 0.429 nan 8.360 nan 0.000 0.525 231 R N -0.981 119.540 120.500 0.035 0.000 2.509 231 R HA 0.164 4.504 4.340 0.000 0.000 0.300 231 R C 0.528 176.834 176.300 0.009 0.000 0.985 231 R CA 0.419 56.534 56.100 0.025 0.000 1.092 231 R CB 1.007 31.329 30.300 0.037 0.000 1.237 231 R HN 0.167 nan 8.270 nan 0.000 0.546 232 G N 2.142 110.934 108.800 -0.012 0.000 2.272 232 G HA2 -0.256 3.704 3.960 0.000 0.000 0.280 232 G HA3 -0.256 3.704 3.960 0.000 0.000 0.280 232 G C -0.052 174.814 174.900 -0.057 0.000 1.067 232 G CA -0.052 45.014 45.100 -0.056 0.000 0.902 232 G HN 0.319 nan 8.290 nan 0.000 0.500 233 I N 0.250 120.804 120.570 -0.026 0.000 2.466 233 I HA 0.322 4.492 4.170 0.000 0.000 0.279 233 I C 0.706 176.829 176.117 0.010 0.000 1.033 233 I CA -1.044 60.246 61.300 -0.015 0.000 1.123 233 I CB 1.021 39.039 38.000 0.030 0.000 1.237 233 I HN 0.082 nan 8.210 nan 0.000 0.460 234 R N 3.566 123.981 120.500 -0.142 0.000 2.738 234 R HA 0.499 4.839 4.340 0.000 0.000 0.268 234 R C -0.727 175.529 176.300 -0.075 0.000 1.062 234 R CA -0.093 55.907 56.100 -0.167 0.000 1.158 234 R CB 0.756 30.782 30.300 -0.457 0.000 1.046 234 R HN 0.301 nan 8.270 nan 0.000 0.493 235 V N 3.232 123.126 119.914 -0.034 0.000 2.709 235 V HA 0.435 4.555 4.120 0.000 0.000 0.308 235 V C -0.997 174.954 176.094 -0.239 0.000 1.062 235 V CA -0.845 61.317 62.300 -0.231 0.000 0.901 235 V CB 1.748 33.397 31.823 -0.290 0.000 1.003 235 V HN 0.410 nan 8.190 nan 0.000 0.425 236 L N 5.045 126.069 121.223 -0.332 0.000 2.323 236 L HA 0.794 5.134 4.340 0.000 0.000 0.265 236 L C -0.965 175.712 176.870 -0.322 0.000 1.012 236 L CA -0.589 54.136 54.840 -0.192 0.000 0.820 236 L CB 1.636 43.755 42.059 0.101 0.000 1.334 236 L HN 0.324 nan 8.230 nan 0.000 0.427 237 L N 0.532 121.635 121.223 -0.200 0.000 2.401 237 L HA 0.492 4.832 4.340 0.000 0.000 0.266 237 L C -0.350 176.669 176.870 0.248 0.000 0.991 237 L CA -0.412 54.401 54.840 -0.044 0.000 0.818 237 L CB 1.579 43.546 42.059 -0.152 0.000 1.321 237 L HN 0.511 nan 8.230 nan 0.000 0.413 238 D N 1.839 122.293 120.400 0.090 0.000 2.414 238 D HA 0.427 5.067 4.640 0.000 0.000 0.242 238 D C -0.793 175.445 176.300 -0.103 0.000 1.129 238 D CA 0.064 54.096 54.000 0.054 0.000 0.885 238 D CB 1.646 42.373 40.800 -0.122 0.000 1.198 238 D HN 0.655 nan 8.370 nan 0.000 0.437 239 A N 3.815 126.498 122.820 -0.229 0.000 2.311 239 A HA 0.453 4.773 4.320 0.000 0.000 0.306 239 A C -0.756 176.396 177.584 -0.719 0.000 1.189 239 A CA -0.730 50.861 52.037 -0.743 0.000 0.791 239 A CB 1.180 19.482 19.000 -1.163 0.000 1.172 239 A HN 0.331 nan 8.150 nan 0.000 0.481 240 V N 4.177 123.721 119.914 -0.617 0.000 2.277 240 V HA 0.270 4.390 4.120 0.000 0.000 0.269 240 V C 0.006 175.967 176.094 -0.221 0.000 1.036 240 V CA 0.098 62.201 62.300 -0.328 0.000 0.821 240 V CB -0.333 31.345 31.823 -0.242 0.000 1.052 240 V HN 0.885 nan 8.190 nan 0.000 0.462 241 F N 2.024 121.880 119.950 -0.157 0.000 2.453 241 F HA 0.134 4.661 4.527 0.000 0.000 0.284 241 F C 2.127 177.767 175.800 -0.266 0.000 1.065 241 F CA 0.193 58.010 58.000 -0.304 0.000 1.411 241 F CB -0.866 37.800 39.000 -0.557 0.000 1.131 241 F HN 0.458 nan 8.300 nan 0.000 0.582 242 N N -0.250 118.463 118.700 0.021 0.000 2.111 242 N HA -0.216 4.524 4.740 0.000 0.000 0.197 242 N C 0.283 175.896 175.510 0.171 0.000 1.011 242 N CA 1.905 54.970 53.050 0.025 0.000 0.880 242 N CB -0.168 38.356 38.487 0.062 0.000 1.031 242 N HN 0.401 nan 8.380 nan 0.000 0.444 243 H N -3.285 115.810 119.070 0.041 0.000 2.985 243 H HA 0.619 5.175 4.556 0.000 0.000 0.360 243 H C -0.887 174.495 175.328 0.091 0.000 1.221 243 H CA -0.709 55.398 56.048 0.098 0.000 1.121 243 H CB 0.917 30.760 29.762 0.134 0.000 1.854 243 H HN 0.087 nan 8.280 nan 0.000 0.551 244 S N 0.083 115.787 115.700 0.006 0.000 2.740 244 S HA 0.731 5.201 4.470 0.000 0.000 0.300 244 S C 0.286 174.829 174.600 -0.095 0.000 1.147 244 S CA -0.407 57.690 58.200 -0.172 0.000 0.871 244 S CB 1.729 64.680 63.200 -0.415 0.000 1.173 244 S HN 1.046 nan 8.310 nan 0.000 0.510 245 G N -0.386 108.357 108.800 -0.095 0.000 2.588 245 G HA2 0.396 4.356 3.960 0.000 0.000 0.281 245 G HA3 0.396 4.356 3.960 0.000 0.000 0.281 245 G C 0.381 175.260 174.900 -0.035 0.000 1.236 245 G CA -0.695 44.386 45.100 -0.031 0.000 0.969 245 G HN 0.881 nan 8.290 nan 0.000 0.504 246 R N -1.434 119.066 120.500 0.000 0.000 2.090 246 R HA -0.042 4.298 4.340 0.000 0.000 0.228 246 R C 2.224 178.708 176.300 0.307 0.000 1.110 246 R CA 1.567 57.748 56.100 0.135 0.000 0.973 246 R CB -0.403 30.029 30.300 0.221 0.000 0.869 246 R HN 0.493 nan 8.270 nan 0.000 0.440 247 T N 0.807 115.477 114.554 0.193 0.000 3.098 247 T HA -0.089 4.261 4.350 0.000 0.000 0.266 247 T C 0.142 174.968 174.700 0.210 0.000 1.145 247 T CA 0.176 62.375 62.100 0.165 0.000 1.092 247 T CB -0.334 68.604 68.868 0.118 0.000 0.908 247 T HN 0.093 nan 8.240 nan 0.000 0.526 248 F N 4.751 124.758 119.950 0.094 0.000 2.518 248 F HA 0.134 4.661 4.527 0.000 0.000 0.375 248 F C -1.115 174.731 175.800 0.077 0.000 1.097 248 F CA -3.167 54.901 58.000 0.113 0.000 1.108 248 F CB 0.696 39.831 39.000 0.224 0.000 1.078 248 F HN -0.024 nan 8.300 nan 0.000 0.564 249 P HA -0.293 nan 4.420 nan 0.000 0.224 249 P C -1.370 175.625 177.300 -0.508 0.000 1.153 249 P CA 2.520 65.390 63.100 -0.384 0.000 0.947 249 P CB -1.129 30.302 31.700 -0.449 0.000 0.790 250 P HA -0.183 nan 4.420 nan 0.000 0.212 250 P C 1.774 178.948 177.300 -0.210 0.000 1.178 250 P CA 1.135 63.613 63.100 -1.036 0.000 0.915 250 P CB -0.746 30.256 31.700 -1.163 0.000 0.788 251 F N 0.282 120.270 119.950 0.064 0.000 2.115 251 F HA -0.251 4.276 4.527 0.000 0.000 0.300 251 F C 1.979 177.672 175.800 -0.179 0.000 1.092 251 F CA 1.447 59.338 58.000 -0.181 0.000 1.245 251 F CB -1.058 37.595 39.000 -0.577 0.000 0.995 251 F HN -0.292 nan 8.300 nan 0.000 0.481 252 V N 0.410 120.267 119.914 -0.096 0.000 2.233 252 V HA -0.369 3.751 4.120 0.000 0.000 0.247 252 V C 2.417 178.396 176.094 -0.191 0.000 1.050 252 V CA 2.359 64.569 62.300 -0.150 0.000 1.010 252 V CB -0.892 30.889 31.823 -0.071 0.000 0.637 252 V HN 0.398 nan 8.190 nan 0.000 0.444 253 D N -0.015 120.299 120.400 -0.143 0.000 2.280 253 D HA -0.162 4.478 4.640 0.000 0.000 0.206 253 D C 1.923 178.171 176.300 -0.087 0.000 0.988 253 D CA 1.545 55.509 54.000 -0.061 0.000 0.886 253 D CB 0.102 40.963 40.800 0.101 0.000 0.914 253 D HN 0.364 nan 8.370 nan 0.000 0.473 254 V N 0.814 120.623 119.914 -0.175 0.000 2.407 254 V HA -0.157 3.963 4.120 0.000 0.000 0.245 254 V C 2.605 178.535 176.094 -0.273 0.000 1.041 254 V CA 0.683 62.852 62.300 -0.219 0.000 1.040 254 V CB -0.399 31.233 31.823 -0.317 0.000 0.671 254 V HN 0.228 nan 8.190 nan 0.000 0.455 255 L N -0.558 120.447 121.223 -0.364 0.000 2.651 255 L HA -0.137 4.203 4.340 0.000 0.000 0.236 255 L C 2.108 178.881 176.870 -0.163 0.000 1.173 255 L CA 1.333 56.001 54.840 -0.288 0.000 0.843 255 L CB -0.500 41.390 42.059 -0.282 0.000 0.964 255 L HN 0.387 nan 8.230 nan 0.000 0.454 256 K N -0.714 119.604 120.400 -0.136 0.000 2.446 256 K HA 0.128 4.448 4.320 0.000 0.000 0.238 256 K C 1.416 177.971 176.600 -0.075 0.000 1.193 256 K CA 0.155 56.389 56.287 -0.088 0.000 0.782 256 K CB 0.044 32.501 32.500 -0.072 0.000 1.506 256 K HN -0.023 nan 8.250 nan 0.000 0.417 257 N N 1.099 119.756 118.700 -0.070 0.000 2.573 257 N HA -0.040 4.700 4.740 0.000 0.000 0.187 257 N C 1.050 176.523 175.510 -0.062 0.000 1.107 257 N CA 0.954 53.968 53.050 -0.060 0.000 0.918 257 N CB -0.333 38.117 38.487 -0.062 0.000 0.966 257 N HN 0.436 nan 8.380 nan 0.000 0.448 258 G N 1.687 110.438 108.800 -0.080 0.000 2.738 258 G HA2 -0.523 3.437 3.960 0.000 0.000 0.391 258 G HA3 -0.523 3.437 3.960 0.000 0.000 0.391 258 G C 1.039 175.910 174.900 -0.049 0.000 1.049 258 G CA 1.180 46.232 45.100 -0.081 0.000 0.855 258 G HN 0.434 nan 8.290 nan 0.000 0.757 259 E N 0.049 120.228 120.200 -0.034 0.000 2.324 259 E HA -0.235 4.115 4.350 0.000 0.000 0.205 259 E C 2.308 178.900 176.600 -0.014 0.000 1.031 259 E CA 1.961 58.351 56.400 -0.016 0.000 0.836 259 E CB -0.115 29.579 29.700 -0.010 0.000 0.742 259 E HN 0.601 nan 8.360 nan 0.000 0.491 260 K N -0.602 119.783 120.400 -0.026 0.000 2.367 260 K HA 0.096 4.416 4.320 0.000 0.000 0.198 260 K C 0.570 177.144 176.600 -0.043 0.000 1.132 260 K CA 0.238 56.508 56.287 -0.029 0.000 0.941 260 K CB 0.562 33.042 32.500 -0.033 0.000 1.052 260 K HN -0.129 nan 8.250 nan 0.000 0.507 261 S N 2.434 118.101 115.700 -0.055 0.000 3.712 261 S HA -0.113 4.357 4.470 0.000 0.000 0.442 261 S C 0.711 175.262 174.600 -0.082 0.000 1.086 261 S CA 0.197 58.349 58.200 -0.081 0.000 1.356 261 S CB -0.068 63.102 63.200 -0.049 0.000 0.876 261 S HN 0.154 nan 8.310 nan 0.000 0.547 262 K N 4.257 124.564 120.400 -0.156 0.000 2.293 262 K HA -0.203 4.117 4.320 0.000 0.000 0.204 262 K C 1.094 177.646 176.600 -0.081 0.000 1.045 262 K CA 1.937 58.146 56.287 -0.129 0.000 0.933 262 K CB -0.256 32.129 32.500 -0.192 0.000 0.736 262 K HN 0.793 nan 8.250 nan 0.000 0.463 263 Y N 1.351 121.554 120.300 -0.163 0.000 2.680 263 Y HA -0.157 4.393 4.550 0.000 0.000 0.303 263 Y C 2.314 178.199 175.900 -0.026 0.000 1.166 263 Y CA 0.111 57.996 58.100 -0.358 0.000 1.344 263 Y CB -0.089 38.079 38.460 -0.487 0.000 1.002 263 Y HN 0.122 nan 8.280 nan 0.000 0.537 264 K N 1.561 122.059 120.400 0.164 0.000 1.977 264 K HA -0.254 4.066 4.320 0.000 0.000 0.218 264 K C 0.637 177.371 176.600 0.224 0.000 1.051 264 K CA 2.407 58.800 56.287 0.177 0.000 0.953 264 K CB -0.375 32.179 32.500 0.091 0.000 0.727 264 K HN 0.353 nan 8.250 nan 0.000 0.445 265 D N -0.990 119.483 120.400 0.121 0.000 2.404 265 D HA -0.142 4.498 4.640 0.000 0.000 0.256 265 D C 0.528 176.767 176.300 -0.101 0.000 1.189 265 D CA 0.410 54.402 54.000 -0.013 0.000 0.965 265 D CB -0.429 40.300 40.800 -0.118 0.000 0.901 265 D HN 0.372 nan 8.370 nan 0.000 0.517 266 W N -0.291 120.878 121.300 -0.217 0.000 2.872 266 W HA 0.311 4.971 4.660 0.000 0.000 0.266 266 W C -0.072 176.082 176.519 -0.609 0.000 1.276 266 W CA -0.305 56.801 57.345 -0.398 0.000 1.471 266 W CB 0.250 29.483 29.460 -0.378 0.000 1.071 266 W HN -0.150 nan 8.180 nan 0.000 0.619 267 F N -0.964 119.110 119.950 0.206 0.000 2.551 267 F HA 0.309 4.836 4.527 -0.000 0.000 0.316 267 F C -0.209 175.641 175.800 0.083 0.000 1.089 267 F CA -1.488 56.616 58.000 0.174 0.000 0.915 267 F CB 0.807 40.002 39.000 0.326 0.000 1.186 267 F HN -0.351 nan 8.300 nan 0.000 0.456 268 H N 3.255 122.529 119.070 0.339 0.000 2.944 268 H HA 0.411 4.967 4.556 0.000 0.000 0.278 268 H C -0.332 175.171 175.328 0.291 0.000 1.083 268 H CA 0.325 56.513 56.048 0.233 0.000 1.479 268 H CB 0.207 30.052 29.762 0.139 0.000 1.486 268 H HN 0.358 nan 8.280 nan 0.000 0.493 269 I N 2.785 123.557 120.570 0.337 0.000 2.530 269 I HA 0.295 4.465 4.170 0.000 0.000 0.297 269 I C 1.038 177.291 176.117 0.227 0.000 1.011 269 I CA -0.649 60.842 61.300 0.319 0.000 1.107 269 I CB 2.237 40.395 38.000 0.264 0.000 1.285 269 I HN 0.602 nan 8.210 nan 0.000 0.436 270 R N 1.721 122.347 120.500 0.210 0.000 2.334 270 R HA 0.194 4.534 4.340 0.000 0.000 0.212 270 R C -0.011 176.367 176.300 0.130 0.000 0.897 270 R CA 0.245 56.433 56.100 0.146 0.000 1.056 270 R CB 0.631 31.001 30.300 0.117 0.000 1.046 270 R HN 0.591 nan 8.270 nan 0.000 0.513 271 S N 0.123 115.912 115.700 0.149 0.000 2.653 271 S HA 0.131 4.601 4.470 0.000 0.000 0.268 271 S C 0.944 175.610 174.600 0.109 0.000 1.153 271 S CA -0.703 57.567 58.200 0.117 0.000 1.036 271 S CB 0.530 63.798 63.200 0.113 0.000 1.103 271 S HN 0.260 nan 8.310 nan 0.000 0.466 272 L N 1.707 122.979 121.223 0.081 0.000 2.082 272 L HA 0.016 4.356 4.340 0.000 0.000 0.223 272 L C -1.594 175.296 176.870 0.034 0.000 1.086 272 L CA 0.983 55.856 54.840 0.056 0.000 0.793 272 L CB -2.661 39.422 42.059 0.041 0.000 0.896 272 L HN 0.390 nan 8.230 nan 0.000 0.441 273 P HA 0.229 nan 4.420 nan 0.000 0.282 273 P C -0.587 176.732 177.300 0.032 0.000 1.274 273 P CA 0.074 63.185 63.100 0.020 0.000 0.770 273 P CB 0.856 32.574 31.700 0.030 0.000 0.867 274 L N 5.031 126.238 121.223 -0.028 0.000 2.401 274 L HA 0.257 4.597 4.340 0.000 0.000 0.283 274 L C 0.341 177.229 176.870 0.031 0.000 1.151 274 L CA 0.110 54.928 54.840 -0.037 0.000 0.942 274 L CB -0.575 41.328 42.059 -0.260 0.000 1.283 274 L HN 0.500 nan 8.230 nan 0.000 0.442 275 E N 1.662 121.935 120.200 0.121 0.000 2.388 275 E HA 0.218 4.568 4.350 0.000 0.000 0.280 275 E C -0.474 176.219 176.600 0.156 0.000 1.019 275 E CA -0.766 55.708 56.400 0.122 0.000 0.806 275 E CB 1.780 31.522 29.700 0.070 0.000 1.246 275 E HN -0.100 nan 8.360 nan 0.000 0.443 276 V N 1.235 121.234 119.914 0.143 0.000 3.484 276 V HA 0.192 4.312 4.120 0.000 0.000 0.252 276 V C 0.007 176.155 176.094 0.089 0.000 1.282 276 V CA 0.721 63.097 62.300 0.128 0.000 1.104 276 V CB 0.296 32.202 31.823 0.138 0.000 0.868 276 V HN 1.286 nan 8.190 nan 0.000 0.457 277 V N 2.312 122.272 119.914 0.077 0.000 5.695 277 V HA -0.178 3.942 4.120 0.000 0.000 0.267 277 V C -0.151 175.973 176.094 0.049 0.000 0.705 277 V CA 0.880 63.214 62.300 0.057 0.000 0.971 277 V CB -3.008 28.844 31.823 0.049 0.000 1.119 277 V HN 1.790 nan 8.190 nan 0.000 0.429 278 D N 1.563 121.991 120.400 0.046 0.000 3.845 278 D HA 0.420 5.060 4.640 0.000 0.000 0.227 278 D C 0.728 177.047 176.300 0.033 0.000 1.092 278 D CA 1.594 55.615 54.000 0.035 0.000 1.148 278 D CB -0.981 39.834 40.800 0.026 0.000 0.803 278 D HN 2.475 nan 8.370 nan 0.000 0.395 279 G N 0.607 109.427 108.800 0.034 0.000 2.451 279 G HA2 0.284 4.244 3.960 0.000 0.000 0.083 279 G HA3 0.284 4.244 3.960 0.000 0.000 0.083 279 G C -1.039 173.885 174.900 0.040 0.000 1.107 279 G CA -0.466 44.650 45.100 0.026 0.000 1.117 279 G HN 0.624 nan 8.290 nan 0.000 0.454 280 I N 2.632 123.243 120.570 0.068 0.000 2.412 280 I HA 0.408 4.578 4.170 0.000 0.000 0.296 280 I C -2.155 174.046 176.117 0.139 0.000 0.987 280 I CA -1.937 59.446 61.300 0.138 0.000 1.180 280 I CB 2.119 40.222 38.000 0.172 0.000 1.340 280 I HN 0.127 nan 8.210 nan 0.000 0.455 281 P HA -0.103 nan 4.420 nan 0.000 0.266 281 P C 0.515 177.839 177.300 0.041 0.000 1.186 281 P CA 0.354 63.456 63.100 0.002 0.000 0.767 281 P CB 0.489 32.028 31.700 -0.268 0.000 0.820 282 T N 1.245 115.912 114.554 0.188 0.000 3.188 282 T HA 0.176 4.526 4.350 0.000 0.000 0.250 282 T C -0.499 174.416 174.700 0.358 0.000 1.077 282 T CA 0.018 62.273 62.100 0.259 0.000 0.967 282 T CB -0.831 68.201 68.868 0.274 0.000 1.006 282 T HN 0.378 nan 8.240 nan 0.000 0.552 283 Y N -1.928 118.442 120.300 0.116 0.000 2.592 283 Y HA 0.609 5.159 4.550 0.000 0.000 0.334 283 Y C -1.210 174.742 175.900 0.087 0.000 1.136 283 Y CA -2.672 55.506 58.100 0.130 0.000 1.042 283 Y CB -0.064 38.510 38.460 0.191 0.000 1.325 283 Y HN -0.164 nan 8.280 nan 0.000 0.457 284 D N 2.295 122.747 120.400 0.088 0.000 2.389 284 D HA 0.314 4.954 4.640 0.000 0.000 0.263 284 D C 0.541 176.789 176.300 -0.087 0.000 1.255 284 D CA 0.895 54.864 54.000 -0.051 0.000 0.914 284 D CB 0.848 41.669 40.800 0.035 0.000 1.116 284 D HN 0.826 nan 8.370 nan 0.000 0.502 285 T N -0.700 113.675 114.554 -0.298 0.000 2.797 285 T HA 0.268 4.618 4.350 0.000 0.000 0.267 285 T C 0.998 175.591 174.700 -0.178 0.000 0.986 285 T CA -0.816 61.154 62.100 -0.217 0.000 0.999 285 T CB 0.126 68.792 68.868 -0.336 0.000 1.508 285 T HN 0.223 nan 8.240 nan 0.000 0.595 286 F N 1.346 121.119 119.950 -0.294 0.000 2.025 286 F HA 0.117 4.644 4.527 -0.000 0.000 0.297 286 F C 2.022 177.585 175.800 -0.396 0.000 1.132 286 F CA 2.510 60.229 58.000 -0.468 0.000 1.191 286 F CB -0.752 37.974 39.000 -0.457 0.000 0.963 286 F HN 0.738 nan 8.300 nan 0.000 0.481 287 A N -2.192 120.548 122.820 -0.134 0.000 1.791 287 A HA 0.322 4.642 4.320 0.000 0.000 0.177 287 A C 0.545 177.658 177.584 -0.784 0.000 1.851 287 A CA 0.446 52.258 52.037 -0.375 0.000 1.130 287 A CB -0.194 18.896 19.000 0.150 0.000 0.958 287 A HN 0.297 nan 8.150 nan 0.000 0.637 288 F N 0.248 120.217 119.950 0.031 0.000 2.993 288 F HA 0.321 4.848 4.527 -0.000 0.000 0.338 288 F C 0.109 175.903 175.800 -0.011 0.000 1.199 288 F CA -0.597 57.385 58.000 -0.030 0.000 1.069 288 F CB 0.668 39.661 39.000 -0.012 0.000 1.294 288 F HN 0.173 nan 8.300 nan 0.000 0.513 289 E N 3.918 124.215 120.200 0.162 0.000 2.341 289 E HA 0.067 4.417 4.350 0.000 0.000 0.256 289 E C -1.837 174.805 176.600 0.069 0.000 1.125 289 E CA -1.936 54.523 56.400 0.098 0.000 0.939 289 E CB 0.700 30.414 29.700 0.023 0.000 0.991 289 E HN 0.068 nan 8.360 nan 0.000 0.458 290 P HA -0.186 nan 4.420 nan 0.000 0.215 290 P C 0.013 177.417 177.300 0.173 0.000 1.163 290 P CA 1.395 64.580 63.100 0.141 0.000 0.894 290 P CB 0.121 31.902 31.700 0.134 0.000 0.791 291 L N -1.217 120.077 121.223 0.118 0.000 2.719 291 L HA 0.341 4.681 4.340 0.000 0.000 0.236 291 L C 0.597 177.501 176.870 0.057 0.000 1.285 291 L CA 0.199 55.092 54.840 0.089 0.000 1.222 291 L CB -0.631 41.482 42.059 0.089 0.000 1.493 291 L HN 0.044 nan 8.230 nan 0.000 0.415 292 M N 0.762 120.398 119.600 0.060 0.000 5.565 292 M HA 0.209 4.689 4.480 0.000 0.000 0.653 292 M C -2.699 173.699 176.300 0.163 0.000 2.419 292 M CA -0.990 54.405 55.300 0.158 0.000 0.290 292 M CB 1.549 34.332 32.600 0.306 0.000 1.486 292 M HN -0.013 nan 8.290 nan 0.000 0.699 293 P HA -0.088 nan 4.420 nan 0.000 0.261 293 P C -0.684 176.800 177.300 0.306 0.000 1.173 293 P CA 0.539 63.614 63.100 -0.040 0.000 0.760 293 P CB 0.417 31.427 31.700 -1.151 0.000 0.783 294 K N 4.930 125.558 120.400 0.380 0.000 2.312 294 K HA 0.132 4.452 4.320 0.000 0.000 0.287 294 K C 0.142 177.024 176.600 0.469 0.000 1.062 294 K CA -0.568 55.934 56.287 0.358 0.000 0.934 294 K CB 0.178 32.798 32.500 0.200 0.000 1.027 294 K HN 0.291 nan 8.250 nan 0.000 0.478 295 L N 2.886 124.272 121.223 0.273 0.000 2.394 295 L HA -0.007 4.333 4.340 0.000 0.000 0.229 295 L C 0.630 177.517 176.870 0.028 0.000 1.225 295 L CA 0.825 55.673 54.840 0.014 0.000 0.829 295 L CB -0.130 41.864 42.059 -0.108 0.000 1.195 295 L HN 0.854 nan 8.230 nan 0.000 0.548 296 N N -1.068 117.518 118.700 -0.191 0.000 2.752 296 N HA 0.047 4.787 4.740 0.000 0.000 0.260 296 N C 0.082 175.492 175.510 -0.167 0.000 1.562 296 N CA -0.080 52.840 53.050 -0.216 0.000 0.788 296 N CB 0.358 38.514 38.487 -0.553 0.000 1.192 296 N HN 0.681 nan 8.380 nan 0.000 0.503 297 T N -1.342 113.135 114.554 -0.128 0.000 3.920 297 T HA 0.036 4.386 4.350 0.000 0.000 0.254 297 T C 0.493 175.177 174.700 -0.026 0.000 1.059 297 T CA 0.370 62.396 62.100 -0.123 0.000 0.960 297 T CB -0.269 68.439 68.868 -0.267 0.000 1.120 297 T HN 0.515 nan 8.240 nan 0.000 0.629 298 E N -0.775 119.408 120.200 -0.027 0.000 2.571 298 E HA 0.095 4.445 4.350 0.000 0.000 0.222 298 E C -0.089 176.500 176.600 -0.019 0.000 0.904 298 E CA -0.362 56.041 56.400 0.006 0.000 1.157 298 E CB 0.358 30.097 29.700 0.065 0.000 1.158 298 E HN 0.656 nan 8.360 nan 0.000 0.540 299 H N 3.285 122.250 119.070 -0.175 0.000 2.604 299 H HA 0.105 4.661 4.556 0.000 0.000 0.306 299 H C -1.551 173.646 175.328 -0.218 0.000 1.075 299 H CA -2.078 53.844 56.048 -0.210 0.000 1.357 299 H CB 1.154 30.711 29.762 -0.342 0.000 1.426 299 H HN -0.185 nan 8.280 nan 0.000 0.470 300 P HA -0.279 nan 4.420 nan 0.000 0.216 300 P C 0.777 177.914 177.300 -0.271 0.000 1.167 300 P CA 1.584 64.495 63.100 -0.315 0.000 0.914 300 P CB 0.512 32.033 31.700 -0.298 0.000 0.793 301 D N -0.427 119.771 120.400 -0.338 0.000 2.133 301 D HA -0.111 4.529 4.640 0.000 0.000 0.195 301 D C 2.159 178.271 176.300 -0.313 0.000 0.997 301 D CA 1.071 54.993 54.000 -0.131 0.000 0.840 301 D CB -0.649 40.237 40.800 0.143 0.000 0.947 301 D HN 0.062 nan 8.370 nan 0.000 0.452 302 V N 1.416 120.969 119.914 -0.601 0.000 2.223 302 V HA -0.243 3.877 4.120 0.000 0.000 0.244 302 V C 2.552 178.504 176.094 -0.237 0.000 1.045 302 V CA 1.704 63.569 62.300 -0.725 0.000 1.000 302 V CB -0.553 30.837 31.823 -0.721 0.000 0.635 302 V HN 0.164 nan 8.190 nan 0.000 0.445 303 K N 0.219 120.528 120.400 -0.152 0.000 2.015 303 K HA -0.358 3.962 4.320 0.000 0.000 0.220 303 K C 2.202 178.794 176.600 -0.013 0.000 1.055 303 K CA 2.614 58.909 56.287 0.013 0.000 0.951 303 K CB -0.405 32.105 32.500 0.017 0.000 0.725 303 K HN 0.431 nan 8.250 nan 0.000 0.449 304 E N -0.241 119.931 120.200 -0.047 0.000 2.197 304 E HA -0.274 4.076 4.350 0.000 0.000 0.205 304 E C 1.782 178.404 176.600 0.037 0.000 1.029 304 E CA 1.919 58.308 56.400 -0.018 0.000 0.828 304 E CB -0.486 29.218 29.700 0.007 0.000 0.737 304 E HN 0.513 nan 8.360 nan 0.000 0.464 305 Y N 0.282 120.565 120.300 -0.028 0.000 2.062 305 Y HA -0.224 4.326 4.550 0.000 0.000 0.272 305 Y C 1.830 177.698 175.900 -0.052 0.000 1.117 305 Y CA 2.108 60.234 58.100 0.042 0.000 1.095 305 Y CB -0.898 37.607 38.460 0.075 0.000 0.985 305 Y HN 0.075 nan 8.280 nan 0.000 0.479 306 L N 0.375 121.283 121.223 -0.526 0.000 2.034 306 L HA -0.312 4.028 4.340 0.000 0.000 0.217 306 L C 2.584 179.117 176.870 -0.561 0.000 1.077 306 L CA 1.925 56.219 54.840 -0.910 0.000 0.769 306 L CB -1.492 39.858 42.059 -1.182 0.000 0.890 306 L HN 0.341 nan 8.230 nan 0.000 0.435 307 L N -0.594 120.463 121.223 -0.277 0.000 1.989 307 L HA -0.265 4.075 4.340 0.000 0.000 0.211 307 L C 2.655 179.500 176.870 -0.041 0.000 1.071 307 L CA 1.671 56.416 54.840 -0.159 0.000 0.749 307 L CB -0.621 41.316 42.059 -0.203 0.000 0.890 307 L HN 0.283 nan 8.230 nan 0.000 0.431 308 K N 0.187 120.577 120.400 -0.016 0.000 2.281 308 K HA -0.193 4.127 4.320 0.000 0.000 0.203 308 K C 1.851 178.632 176.600 0.300 0.000 1.046 308 K CA 1.190 57.559 56.287 0.136 0.000 0.938 308 K CB -0.010 32.600 32.500 0.182 0.000 0.737 308 K HN 0.344 nan 8.250 nan 0.000 0.458 309 A N 0.165 123.042 122.820 0.095 0.000 2.072 309 A HA 0.143 4.463 4.320 0.000 0.000 0.216 309 A C 2.032 179.932 177.584 0.526 0.000 1.156 309 A CA 1.025 53.154 52.037 0.153 0.000 0.701 309 A CB -0.224 18.453 19.000 -0.539 0.000 0.816 309 A HN 0.414 nan 8.150 nan 0.000 0.458 310 A N -0.155 122.902 122.820 0.396 0.000 1.831 310 A HA -0.074 4.246 4.320 0.000 0.000 0.213 310 A C 2.021 179.960 177.584 0.592 0.000 1.223 310 A CA 1.409 53.773 52.037 0.546 0.000 0.604 310 A CB -0.613 18.509 19.000 0.203 0.000 0.878 310 A HN 0.393 nan 8.150 nan 0.000 0.450 311 E N -0.904 119.492 120.200 0.327 0.000 2.130 311 E HA -0.252 4.098 4.350 0.000 0.000 0.196 311 E C 1.691 178.466 176.600 0.291 0.000 0.998 311 E CA 1.759 58.303 56.400 0.242 0.000 0.806 311 E CB -0.415 29.362 29.700 0.128 0.000 0.738 311 E HN 0.620 nan 8.360 nan 0.000 0.459 312 Y N 0.043 120.474 120.300 0.220 0.000 2.009 312 Y HA -0.283 4.267 4.550 -0.000 0.000 0.260 312 Y C 2.156 178.136 175.900 0.132 0.000 1.118 312 Y CA 2.703 60.875 58.100 0.120 0.000 1.087 312 Y CB -1.157 37.416 38.460 0.187 0.000 0.970 312 Y HN 0.060 nan 8.280 nan 0.000 0.481 313 W N 0.170 121.945 121.300 0.792 0.000 2.359 313 W HA -0.269 4.391 4.660 0.000 0.000 0.275 313 W C 2.210 178.900 176.519 0.285 0.000 1.217 313 W CA 0.684 58.383 57.345 0.590 0.000 1.196 313 W CB -0.339 29.605 29.460 0.806 0.000 1.129 313 W HN 0.158 nan 8.180 nan 0.000 0.566 314 I N 0.170 121.016 120.570 0.460 0.000 2.110 314 I HA -0.257 3.913 4.170 0.000 0.000 0.236 314 I C 2.539 178.730 176.117 0.123 0.000 1.068 314 I CA 1.642 63.075 61.300 0.221 0.000 1.333 314 I CB -1.705 36.419 38.000 0.206 0.000 1.054 314 I HN 0.060 nan 8.210 nan 0.000 0.402 315 R N 1.009 121.555 120.500 0.077 0.000 2.088 315 R HA -0.198 4.142 4.340 0.000 0.000 0.232 315 R C 2.198 178.471 176.300 -0.046 0.000 1.136 315 R CA 1.845 57.939 56.100 -0.011 0.000 0.926 315 R CB -0.132 30.125 30.300 -0.072 0.000 0.837 315 R HN 0.310 nan 8.270 nan 0.000 0.429 316 E N 0.015 120.140 120.200 -0.124 0.000 2.035 316 E HA -0.191 4.159 4.350 0.000 0.000 0.204 316 E C 2.007 178.602 176.600 -0.009 0.000 1.025 316 E CA 2.391 58.707 56.400 -0.140 0.000 0.835 316 E CB -0.739 28.777 29.700 -0.305 0.000 0.764 316 E HN 0.513 nan 8.360 nan 0.000 0.457 317 T N -1.015 113.601 114.554 0.103 0.000 3.014 317 T HA 0.190 4.540 4.350 0.000 0.000 0.263 317 T C 1.250 175.969 174.700 0.032 0.000 1.078 317 T CA 0.839 63.015 62.100 0.126 0.000 1.135 317 T CB -0.049 68.986 68.868 0.280 0.000 0.895 317 T HN 0.453 nan 8.240 nan 0.000 0.480 318 G N 2.696 111.521 108.800 0.041 0.000 2.256 318 G HA2 -0.226 3.734 3.960 0.000 0.000 0.272 318 G HA3 -0.226 3.734 3.960 0.000 0.000 0.272 318 G C 0.205 175.113 174.900 0.013 0.000 1.076 318 G CA 0.286 45.402 45.100 0.027 0.000 0.882 318 G HN 0.807 nan 8.290 nan 0.000 0.497 319 I N -4.280 116.284 120.570 -0.011 0.000 3.394 319 I HA 0.640 4.810 4.170 0.000 0.000 0.264 319 I C 0.680 176.777 176.117 -0.034 0.000 1.184 319 I CA -0.256 60.997 61.300 -0.078 0.000 0.890 319 I CB 0.591 38.460 38.000 -0.219 0.000 1.619 319 I HN -0.043 nan 8.210 nan 0.000 0.820 320 D N -0.042 120.320 120.400 -0.062 0.000 2.267 320 D HA 0.211 4.851 4.640 0.000 0.000 0.297 320 D C 0.486 176.843 176.300 0.095 0.000 1.087 320 D CA 0.165 54.181 54.000 0.026 0.000 0.864 320 D CB 1.281 42.089 40.800 0.013 0.000 1.557 320 D HN 0.755 nan 8.370 nan 0.000 0.523 321 G N 0.021 108.819 108.800 -0.003 0.000 2.524 321 G HA2 0.485 4.445 3.960 0.000 0.000 0.310 321 G HA3 0.485 4.445 3.960 0.000 0.000 0.310 321 G C -1.795 173.084 174.900 -0.035 0.000 1.279 321 G CA -0.618 44.542 45.100 0.100 0.000 0.974 321 G HN -0.014 nan 8.290 nan 0.000 0.484 322 W N 2.329 123.720 121.300 0.151 0.000 2.453 322 W HA 0.404 5.064 4.660 0.000 0.000 0.310 322 W C 0.352 176.841 176.519 -0.049 0.000 1.000 322 W CA -1.090 56.334 57.345 0.132 0.000 1.367 322 W CB 1.552 31.250 29.460 0.398 0.000 1.269 322 W HN 0.224 nan 8.180 nan 0.000 0.418 323 R N 4.077 124.726 120.500 0.248 0.000 2.347 323 R HA 0.274 4.614 4.340 0.000 0.000 0.304 323 R C -0.665 175.559 176.300 -0.126 0.000 1.072 323 R CA -0.122 55.963 56.100 -0.024 0.000 0.980 323 R CB 0.538 30.945 30.300 0.179 0.000 0.986 323 R HN 0.660 nan 8.270 nan 0.000 0.448 324 L N 5.105 126.115 121.223 -0.355 0.000 2.407 324 L HA 0.189 4.529 4.340 0.000 0.000 0.261 324 L C 0.669 177.364 176.870 -0.292 0.000 1.108 324 L CA -0.594 54.000 54.840 -0.411 0.000 0.995 324 L CB 0.605 42.202 42.059 -0.771 0.000 1.349 324 L HN 0.502 nan 8.230 nan 0.000 0.423 325 D N 3.257 123.570 120.400 -0.145 0.000 2.661 325 D HA -0.077 4.563 4.640 0.000 0.000 0.244 325 D C 0.802 177.068 176.300 -0.056 0.000 1.196 325 D CA 0.382 54.363 54.000 -0.032 0.000 0.881 325 D CB 0.816 41.715 40.800 0.166 0.000 1.141 325 D HN 0.386 nan 8.370 nan 0.000 0.530 326 V N 3.064 122.874 119.914 -0.174 0.000 5.306 326 V HA -0.347 3.773 4.120 0.000 0.000 0.296 326 V C 1.976 177.939 176.094 -0.219 0.000 0.463 326 V CA 0.846 62.989 62.300 -0.263 0.000 0.715 326 V CB -2.518 29.155 31.823 -0.250 0.000 0.548 326 V HN 0.749 nan 8.190 nan 0.000 1.307 327 A N 1.524 124.168 122.820 -0.292 0.000 1.896 327 A HA -0.328 3.992 4.320 0.000 0.000 0.220 327 A C 1.941 179.569 177.584 0.073 0.000 1.206 327 A CA 2.764 54.695 52.037 -0.177 0.000 0.647 327 A CB -0.765 17.578 19.000 -1.094 0.000 0.828 327 A HN 1.181 nan 8.150 nan 0.000 0.455 328 N N -0.693 117.747 118.700 -0.434 0.000 2.184 328 N HA -0.274 4.466 4.740 0.000 0.000 0.190 328 N C 1.574 177.073 175.510 -0.019 0.000 1.011 328 N CA 1.598 54.295 53.050 -0.589 0.000 0.867 328 N CB -0.366 37.474 38.487 -1.078 0.000 0.993 328 N HN 0.682 nan 8.380 nan 0.000 0.433 329 E N 0.278 120.428 120.200 -0.083 0.000 2.204 329 E HA -0.013 4.338 4.350 0.000 0.000 0.194 329 E C -0.214 176.349 176.600 -0.061 0.000 0.989 329 E CA 0.341 56.690 56.400 -0.085 0.000 0.824 329 E CB 0.315 29.895 29.700 -0.200 0.000 0.756 329 E HN 0.196 nan 8.360 nan 0.000 0.477 330 V N 2.316 122.221 119.914 -0.015 0.000 2.530 330 V HA 0.006 4.126 4.120 0.000 0.000 0.282 330 V C 0.329 176.286 176.094 -0.227 0.000 1.048 330 V CA -0.332 61.794 62.300 -0.290 0.000 0.997 330 V CB 1.069 32.408 31.823 -0.807 0.000 0.987 330 V HN 0.261 nan 8.190 nan 0.000 0.477 331 S N 4.515 120.082 115.700 -0.221 0.000 2.561 331 S HA -0.086 4.384 4.470 0.000 0.000 0.294 331 S C 1.143 175.749 174.600 0.010 0.000 1.294 331 S CA 0.099 58.237 58.200 -0.102 0.000 1.055 331 S CB 0.118 63.292 63.200 -0.044 0.000 0.819 331 S HN 0.729 nan 8.310 nan 0.000 0.503 332 H N 1.809 121.024 119.070 0.243 0.000 2.352 332 H HA -0.116 4.440 4.556 0.000 0.000 0.299 332 H C 2.204 177.670 175.328 0.229 0.000 1.097 332 H CA 2.073 58.304 56.048 0.304 0.000 1.311 332 H CB -0.634 29.215 29.762 0.144 0.000 1.377 332 H HN 0.841 nan 8.280 nan 0.000 0.504 333 Q N 0.586 120.536 119.800 0.251 0.000 1.978 333 Q HA -0.216 4.124 4.340 0.000 0.000 0.211 333 Q C 2.296 178.395 176.000 0.165 0.000 1.013 333 Q CA 2.052 57.952 55.803 0.162 0.000 0.869 333 Q CB -1.081 27.717 28.738 0.100 0.000 0.953 333 Q HN 0.373 nan 8.270 nan 0.000 0.415 334 F N -0.729 119.192 119.950 -0.049 0.000 2.063 334 F HA -0.268 4.259 4.527 -0.000 0.000 0.298 334 F C 1.817 177.682 175.800 0.109 0.000 1.109 334 F CA 2.275 60.207 58.000 -0.114 0.000 1.212 334 F CB -0.756 37.998 39.000 -0.410 0.000 0.973 334 F HN 0.295 nan 8.300 nan 0.000 0.480 335 W N 0.443 122.040 121.300 0.495 0.000 2.338 335 W HA -0.192 4.468 4.660 0.000 0.000 0.304 335 W C 2.645 179.296 176.519 0.221 0.000 1.212 335 W CA 0.805 58.395 57.345 0.409 0.000 1.264 335 W CB -0.424 29.263 29.460 0.378 0.000 1.142 335 W HN -0.107 nan 8.180 nan 0.000 0.512 336 R N 0.414 121.145 120.500 0.384 0.000 2.127 336 R HA -0.167 4.173 4.340 0.000 0.000 0.238 336 R C 1.757 178.138 176.300 0.136 0.000 1.134 336 R CA 1.669 57.887 56.100 0.197 0.000 0.975 336 R CB -0.361 30.018 30.300 0.131 0.000 0.865 336 R HN 0.427 nan 8.270 nan 0.000 0.447 337 E N -0.327 119.930 120.200 0.094 0.000 2.099 337 E HA -0.092 4.258 4.350 0.000 0.000 0.191 337 E C 1.692 178.294 176.600 0.005 0.000 0.962 337 E CA 0.311 56.704 56.400 -0.012 0.000 0.826 337 E CB -0.266 29.355 29.700 -0.133 0.000 0.788 337 E HN 0.157 nan 8.360 nan 0.000 0.461 338 F N 3.023 122.872 119.950 -0.169 0.000 2.082 338 F HA -0.348 4.179 4.527 -0.000 0.000 0.298 338 F C 2.433 178.312 175.800 0.131 0.000 1.091 338 F CA 2.111 60.090 58.000 -0.035 0.000 1.230 338 F CB -0.056 39.168 39.000 0.374 0.000 0.983 338 F HN -0.164 nan 8.300 nan 0.000 0.485 339 R N 0.213 120.917 120.500 0.339 0.000 2.113 339 R HA -0.233 4.107 4.340 0.000 0.000 0.231 339 R C 2.615 178.932 176.300 0.029 0.000 1.129 339 R CA 2.064 58.277 56.100 0.188 0.000 0.915 339 R CB -0.605 29.797 30.300 0.170 0.000 0.837 339 R HN 0.299 nan 8.270 nan 0.000 0.430 340 R N -0.004 120.509 120.500 0.022 0.000 2.115 340 R HA -0.185 4.155 4.340 0.000 0.000 0.239 340 R C 2.148 178.426 176.300 -0.037 0.000 1.133 340 R CA 2.376 58.472 56.100 -0.007 0.000 0.935 340 R CB -0.579 29.715 30.300 -0.009 0.000 0.853 340 R HN 0.217 nan 8.270 nan 0.000 0.433 341 V N 0.840 120.708 119.914 -0.076 0.000 2.313 341 V HA -0.320 3.800 4.120 0.000 0.000 0.253 341 V C 2.404 178.435 176.094 -0.105 0.000 1.070 341 V CA 2.124 64.359 62.300 -0.107 0.000 1.057 341 V CB -0.762 30.955 31.823 -0.176 0.000 0.653 341 V HN 0.507 nan 8.190 nan 0.000 0.450 342 V N -2.708 117.106 119.914 -0.167 0.000 2.300 342 V HA -0.024 4.096 4.120 0.000 0.000 0.241 342 V C 2.413 178.512 176.094 0.008 0.000 1.034 342 V CA 1.143 63.393 62.300 -0.084 0.000 1.021 342 V CB -0.915 30.824 31.823 -0.139 0.000 0.662 342 V HN 0.249 nan 8.190 nan 0.000 0.458 343 K N 0.600 121.011 120.400 0.017 0.000 2.144 343 K HA -0.297 4.023 4.320 0.000 0.000 0.209 343 K C 2.256 178.874 176.600 0.030 0.000 1.047 343 K CA 2.401 58.712 56.287 0.041 0.000 0.927 343 K CB -0.771 31.749 32.500 0.033 0.000 0.716 343 K HN 0.788 nan 8.250 nan 0.000 0.454 344 Q N 0.202 120.010 119.800 0.012 0.000 1.985 344 Q HA -0.206 4.134 4.340 0.000 0.000 0.207 344 Q C 2.024 178.036 176.000 0.020 0.000 0.996 344 Q CA 2.239 58.048 55.803 0.011 0.000 0.851 344 Q CB -0.177 28.561 28.738 -0.000 0.000 0.921 344 Q HN 0.320 nan 8.270 nan 0.000 0.418 345 A N 0.905 123.741 122.820 0.026 0.000 1.940 345 A HA -0.149 4.171 4.320 0.000 0.000 0.219 345 A C 1.139 178.748 177.584 0.041 0.000 1.176 345 A CA 1.473 53.533 52.037 0.039 0.000 0.631 345 A CB -0.220 18.819 19.000 0.065 0.000 0.814 345 A HN 0.515 nan 8.150 nan 0.000 0.446 346 N N -1.863 116.868 118.700 0.051 0.000 2.430 346 N HA 0.315 5.055 4.740 0.000 0.000 0.290 346 N C -2.723 172.827 175.510 0.067 0.000 1.063 346 N CA -1.818 51.266 53.050 0.056 0.000 0.883 346 N CB 1.899 40.429 38.487 0.071 0.000 1.465 346 N HN -0.223 nan 8.380 nan 0.000 0.493 347 P HA -0.038 nan 4.420 nan 0.000 0.214 347 P C -0.647 176.717 177.300 0.107 0.000 1.163 347 P CA 1.407 64.546 63.100 0.066 0.000 0.883 347 P CB 0.274 32.004 31.700 0.050 0.000 0.788 348 D N -0.554 119.932 120.400 0.143 0.000 2.514 348 D HA 0.399 5.039 4.640 0.000 0.000 0.267 348 D C -0.506 176.029 176.300 0.393 0.000 1.165 348 D CA -0.091 54.069 54.000 0.266 0.000 0.958 348 D CB 0.545 41.544 40.800 0.332 0.000 0.992 348 D HN 0.009 nan 8.370 nan 0.000 0.506 349 A N 1.783 124.797 122.820 0.324 0.000 2.330 349 A HA 0.390 4.710 4.320 0.000 0.000 0.327 349 A C -0.924 176.905 177.584 0.407 0.000 1.155 349 A CA -0.680 51.575 52.037 0.363 0.000 0.803 349 A CB 1.307 20.442 19.000 0.225 0.000 1.208 349 A HN 0.331 nan 8.150 nan 0.000 0.477 350 Y N 2.310 122.797 120.300 0.311 0.000 2.319 350 Y HA 0.578 5.128 4.550 0.000 0.000 0.328 350 Y C -0.378 175.613 175.900 0.151 0.000 1.133 350 Y CA -0.607 57.586 58.100 0.154 0.000 1.265 350 Y CB 0.486 39.025 38.460 0.131 0.000 1.218 350 Y HN 0.497 nan 8.280 nan 0.000 0.508 351 I N 8.293 128.712 120.570 -0.251 0.000 2.512 351 I HA 0.389 4.559 4.170 0.000 0.000 0.287 351 I C -1.211 174.622 176.117 -0.472 0.000 1.069 351 I CA -0.840 60.343 61.300 -0.195 0.000 1.056 351 I CB 1.555 39.647 38.000 0.153 0.000 1.229 351 I HN 0.565 nan 8.210 nan 0.000 0.429 352 L N 3.244 124.111 121.223 -0.593 0.000 2.469 352 L HA 1.064 5.404 4.340 0.000 0.000 0.256 352 L C -0.965 175.426 176.870 -0.798 0.000 1.006 352 L CA -0.578 53.861 54.840 -0.669 0.000 0.832 352 L CB 2.360 43.920 42.059 -0.832 0.000 1.421 352 L HN 0.578 nan 8.230 nan 0.000 0.410 353 G N -0.218 108.041 108.800 -0.902 0.000 2.563 353 G HA2 0.374 4.334 3.960 0.000 0.000 0.302 353 G HA3 0.374 4.334 3.960 0.000 0.000 0.302 353 G C -1.148 173.420 174.900 -0.554 0.000 1.301 353 G CA -0.544 44.001 45.100 -0.926 0.000 0.965 353 G HN 0.835 nan 8.290 nan 0.000 0.480 354 E N 0.871 120.836 120.200 -0.392 0.000 2.443 354 E HA 0.202 4.552 4.350 0.000 0.000 0.310 354 E C -0.412 176.014 176.600 -0.291 0.000 1.202 354 E CA -0.156 56.134 56.400 -0.183 0.000 1.301 354 E CB -0.163 29.474 29.700 -0.105 0.000 1.104 354 E HN 0.088 nan 8.360 nan 0.000 0.487 355 V N 4.979 124.741 119.914 -0.253 0.000 2.275 355 V HA 0.048 4.168 4.120 0.000 0.000 0.272 355 V C 0.668 176.777 176.094 0.025 0.000 1.028 355 V CA -0.855 61.261 62.300 -0.305 0.000 0.810 355 V CB 0.241 31.833 31.823 -0.385 0.000 1.043 355 V HN 0.658 nan 8.190 nan 0.000 0.453 356 W N 2.846 124.094 121.300 -0.088 0.000 2.309 356 W HA -0.112 4.548 4.660 0.000 0.000 0.326 356 W C 1.681 178.259 176.519 0.099 0.000 1.222 356 W CA 1.715 59.101 57.345 0.069 0.000 1.237 356 W CB -1.081 28.329 29.460 -0.084 0.000 1.180 356 W HN 0.920 nan 8.180 nan 0.000 0.456 357 H N 0.146 119.454 119.070 0.396 0.000 2.767 357 H HA 0.044 4.600 4.556 -0.000 0.000 0.380 357 H C 0.564 176.068 175.328 0.294 0.000 1.409 357 H CA -0.319 55.904 56.048 0.291 0.000 1.463 357 H CB -0.463 29.449 29.762 0.250 0.000 1.514 357 H HN 0.045 nan 8.280 nan 0.000 0.619 358 E N 0.268 120.810 120.200 0.571 0.000 2.568 358 E HA -0.083 4.267 4.350 0.000 0.000 0.262 358 E C -0.669 176.341 176.600 0.684 0.000 0.961 358 E CA 0.903 57.621 56.400 0.531 0.000 0.945 358 E CB 0.133 30.023 29.700 0.316 0.000 0.924 358 E HN 0.732 nan 8.360 nan 0.000 0.467 359 S N 2.488 118.618 115.700 0.717 0.000 2.327 359 S HA 0.220 4.690 4.470 0.000 0.000 0.203 359 S C 0.621 175.697 174.600 0.793 0.000 1.326 359 S CA -0.591 58.095 58.200 0.811 0.000 1.248 359 S CB 0.859 64.397 63.200 0.563 0.000 1.199 359 S HN 0.356 nan 8.310 nan 0.000 0.422 360 S N 2.995 119.056 115.700 0.601 0.000 2.361 360 S HA -0.120 4.350 4.470 0.000 0.000 0.214 360 S C 2.135 176.858 174.600 0.205 0.000 1.034 360 S CA 1.610 60.025 58.200 0.358 0.000 1.025 360 S CB -0.790 62.417 63.200 0.012 0.000 0.996 360 S HN 0.874 nan 8.310 nan 0.000 0.422 361 I N -0.919 119.641 120.570 -0.017 0.000 2.231 361 I HA -0.240 3.930 4.170 0.000 0.000 0.251 361 I C 1.535 177.495 176.117 -0.261 0.000 1.076 361 I CA 1.712 62.850 61.300 -0.270 0.000 1.347 361 I CB -0.579 37.052 38.000 -0.614 0.000 1.038 361 I HN 0.363 nan 8.210 nan 0.000 0.429 362 W N 1.915 123.270 121.300 0.091 0.000 3.377 362 W HA 0.356 5.016 4.660 -0.000 0.000 0.277 362 W C 0.569 177.035 176.519 -0.088 0.000 1.311 362 W CA 0.105 57.416 57.345 -0.055 0.000 1.703 362 W CB -0.261 29.317 29.460 0.197 0.000 1.095 362 W HN 0.326 nan 8.180 nan 0.000 0.715 363 L N 0.088 121.426 121.223 0.192 0.000 3.165 363 L HA 0.122 4.462 4.340 0.000 0.000 0.327 363 L C 1.295 178.342 176.870 0.295 0.000 1.294 363 L CA 0.004 54.992 54.840 0.248 0.000 0.838 363 L CB 0.447 42.632 42.059 0.210 0.000 1.274 363 L HN -0.281 nan 8.230 nan 0.000 0.590 364 E N 1.172 121.488 120.200 0.193 0.000 2.276 364 E HA 0.143 4.493 4.350 0.000 0.000 0.193 364 E C 1.509 178.327 176.600 0.362 0.000 0.983 364 E CA 1.364 57.888 56.400 0.207 0.000 0.861 364 E CB 0.485 30.222 29.700 0.062 0.000 0.817 364 E HN 0.423 nan 8.360 nan 0.000 0.485 365 G N 0.163 109.019 108.800 0.094 0.000 2.902 365 G HA2 -0.142 3.818 3.960 0.000 0.000 0.215 365 G HA3 -0.142 3.818 3.960 0.000 0.000 0.215 365 G C -0.025 174.701 174.900 -0.289 0.000 0.976 365 G CA 0.107 44.997 45.100 -0.349 0.000 0.794 365 G HN 0.320 nan 8.290 nan 0.000 0.557 366 D N 0.356 120.668 120.400 -0.148 0.000 2.670 366 D HA 0.377 5.017 4.640 0.000 0.000 0.255 366 D C 0.540 176.791 176.300 -0.082 0.000 1.286 366 D CA 0.131 54.075 54.000 -0.095 0.000 0.830 366 D CB 0.782 41.556 40.800 -0.045 0.000 1.065 366 D HN 0.492 nan 8.370 nan 0.000 0.486 367 Q N -0.837 118.867 119.800 -0.159 0.000 2.653 367 Q HA 0.291 4.631 4.340 0.000 0.000 0.373 367 Q C -1.060 174.804 176.000 -0.227 0.000 0.661 367 Q CA -0.917 54.723 55.803 -0.272 0.000 0.932 367 Q CB 0.724 29.108 28.738 -0.589 0.000 1.119 367 Q HN 0.001 nan 8.270 nan 0.000 0.489 368 F N 2.896 122.817 119.950 -0.049 0.000 2.604 368 F HA -0.080 4.447 4.527 -0.000 0.000 0.393 368 F C 1.137 176.905 175.800 -0.052 0.000 1.043 368 F CA 0.181 58.100 58.000 -0.135 0.000 1.227 368 F CB -0.238 38.601 39.000 -0.268 0.000 1.016 368 F HN 0.418 nan 8.300 nan 0.000 0.556 369 D N 1.461 121.911 120.400 0.082 0.000 2.133 369 D HA -0.083 4.557 4.640 0.000 0.000 0.195 369 D C 1.033 177.481 176.300 0.246 0.000 0.997 369 D CA 1.972 56.073 54.000 0.168 0.000 0.840 369 D CB 0.099 40.988 40.800 0.149 0.000 0.947 369 D HN 0.592 nan 8.370 nan 0.000 0.452 370 A N -0.500 122.333 122.820 0.023 0.000 2.701 370 A HA 0.640 4.960 4.320 0.000 0.000 0.290 370 A C -0.977 176.536 177.584 -0.119 0.000 1.267 370 A CA -0.258 51.758 52.037 -0.035 0.000 0.709 370 A CB 1.335 20.326 19.000 -0.015 0.000 1.352 370 A HN 0.063 nan 8.150 nan 0.000 0.519 371 V N -3.099 116.711 119.914 -0.174 0.000 3.159 371 V HA 0.688 4.808 4.120 0.000 0.000 0.308 371 V C -0.049 175.913 176.094 -0.220 0.000 1.190 371 V CA -0.685 61.481 62.300 -0.225 0.000 1.037 371 V CB 1.858 33.599 31.823 -0.137 0.000 1.060 371 V HN 1.053 nan 8.190 nan 0.000 0.437 372 M N 3.907 123.346 119.600 -0.268 0.000 3.042 372 M HA 0.298 4.778 4.480 0.000 0.000 0.283 372 M C 0.300 176.403 176.300 -0.329 0.000 1.473 372 M CA -0.052 55.107 55.300 -0.234 0.000 1.583 372 M CB -0.898 31.529 32.600 -0.290 0.000 1.221 372 M HN 0.956 nan 8.290 nan 0.000 0.518 373 N N 2.701 121.268 118.700 -0.221 0.000 2.400 373 N HA -0.032 4.708 4.740 0.000 0.000 0.267 373 N C -0.609 174.840 175.510 -0.101 0.000 1.208 373 N CA 0.301 53.278 53.050 -0.122 0.000 0.951 373 N CB 0.316 38.755 38.487 -0.080 0.000 1.227 373 N HN 0.472 nan 8.380 nan 0.000 0.488 374 Y N 3.233 123.623 120.300 0.149 0.000 2.476 374 Y HA 0.214 4.764 4.550 -0.000 0.000 0.283 374 Y C -0.783 175.211 175.900 0.157 0.000 1.109 374 Y CA -0.241 57.944 58.100 0.142 0.000 1.246 374 Y CB -0.639 37.885 38.460 0.105 0.000 1.068 374 Y HN 0.590 nan 8.280 nan 0.000 0.552 375 P HA -0.167 nan 4.420 nan 0.000 0.242 375 P C 0.833 178.286 177.300 0.255 0.000 1.198 375 P CA 1.237 64.491 63.100 0.257 0.000 0.756 375 P CB -0.425 31.436 31.700 0.267 0.000 0.911 376 F N 0.634 120.654 119.950 0.117 0.000 2.399 376 F HA 0.021 4.548 4.527 -0.000 0.000 0.282 376 F C 1.993 177.868 175.800 0.124 0.000 1.027 376 F CA 0.909 58.959 58.000 0.083 0.000 1.333 376 F CB -0.725 38.274 39.000 -0.001 0.000 1.132 376 F HN -0.242 nan 8.300 nan 0.000 0.590 377 T N 1.191 115.833 114.554 0.148 0.000 2.516 377 T HA -0.295 4.055 4.350 0.000 0.000 0.261 377 T C 1.670 176.375 174.700 0.007 0.000 1.130 377 T CA 2.265 64.397 62.100 0.053 0.000 1.193 377 T CB -1.140 67.858 68.868 0.216 0.000 0.864 377 T HN 0.385 nan 8.240 nan 0.000 0.410 378 N N 1.428 120.190 118.700 0.104 0.000 2.096 378 N HA -0.206 4.534 4.740 0.000 0.000 0.195 378 N C 2.183 177.772 175.510 0.132 0.000 1.017 378 N CA 1.004 54.134 53.050 0.134 0.000 0.870 378 N CB -0.330 38.220 38.487 0.105 0.000 1.024 378 N HN 0.461 nan 8.380 nan 0.000 0.434 379 A N 1.066 123.949 122.820 0.106 0.000 1.842 379 A HA -0.167 4.153 4.320 0.000 0.000 0.217 379 A C 2.449 180.228 177.584 0.325 0.000 1.206 379 A CA 1.809 53.965 52.037 0.197 0.000 0.630 379 A CB -1.137 17.922 19.000 0.099 0.000 0.839 379 A HN 0.101 nan 8.150 nan 0.000 0.447 380 V N 0.500 120.504 119.914 0.150 0.000 2.215 380 V HA -0.345 3.775 4.120 0.000 0.000 0.246 380 V C 2.549 178.724 176.094 0.135 0.000 1.047 380 V CA 2.267 64.684 62.300 0.196 0.000 0.999 380 V CB -1.361 30.405 31.823 -0.095 0.000 0.635 380 V HN 0.621 nan 8.190 nan 0.000 0.450 381 L N -0.018 121.216 121.223 0.019 0.000 2.040 381 L HA -0.362 3.978 4.340 0.000 0.000 0.228 381 L C 2.363 179.159 176.870 -0.122 0.000 1.092 381 L CA 2.315 57.075 54.840 -0.132 0.000 0.805 381 L CB -1.141 40.700 42.059 -0.365 0.000 0.905 381 L HN 0.365 nan 8.230 nan 0.000 0.443 382 D N -0.865 119.562 120.400 0.046 0.000 2.172 382 D HA -0.232 4.408 4.640 0.000 0.000 0.196 382 D C 1.797 178.033 176.300 -0.106 0.000 0.999 382 D CA 1.276 55.328 54.000 0.086 0.000 0.856 382 D CB -0.107 40.775 40.800 0.136 0.000 0.934 382 D HN 0.330 nan 8.370 nan 0.000 0.453 383 F N -1.204 118.428 119.950 -0.529 0.000 2.473 383 F HA 0.116 4.643 4.527 -0.000 0.000 0.294 383 F C 1.144 176.347 175.800 -0.996 0.000 1.103 383 F CA 0.686 58.094 58.000 -0.987 0.000 1.442 383 F CB 0.130 37.892 39.000 -2.063 0.000 1.097 383 F HN -0.101 nan 8.300 nan 0.000 0.547 384 F N -1.675 117.968 119.950 -0.512 0.000 2.592 384 F HA 0.206 4.733 4.527 -0.000 0.000 0.280 384 F C 1.563 177.212 175.800 -0.253 0.000 1.083 384 F CA -0.013 57.730 58.000 -0.428 0.000 1.365 384 F CB -0.499 38.347 39.000 -0.256 0.000 1.100 384 F HN -0.215 nan 8.300 nan 0.000 0.633 385 I N -0.163 120.377 120.570 -0.050 0.000 2.956 385 I HA -0.069 4.101 4.170 0.000 0.000 0.233 385 I C 2.437 178.478 176.117 -0.128 0.000 1.054 385 I CA 1.017 62.235 61.300 -0.138 0.000 1.456 385 I CB -1.177 36.639 38.000 -0.307 0.000 1.297 385 I HN -0.014 nan 8.210 nan 0.000 0.448 386 H N 1.695 120.736 119.070 -0.049 0.000 2.426 386 H HA -0.103 4.453 4.556 0.000 0.000 0.298 386 H C 0.448 175.724 175.328 -0.086 0.000 1.107 386 H CA 1.065 57.075 56.048 -0.062 0.000 1.298 386 H CB -0.565 29.163 29.762 -0.058 0.000 1.377 386 H HN 0.408 nan 8.280 nan 0.000 0.519 387 Q N -0.555 119.226 119.800 -0.032 0.000 2.453 387 Q HA -0.165 4.175 4.340 0.000 0.000 0.294 387 Q C 0.630 176.586 176.000 -0.073 0.000 1.295 387 Q CA 0.398 56.122 55.803 -0.131 0.000 0.853 387 Q CB -0.961 27.698 28.738 -0.132 0.000 1.193 387 Q HN 0.402 nan 8.270 nan 0.000 0.461 388 I N -1.680 118.877 120.570 -0.022 0.000 3.035 388 I HA 0.122 4.292 4.170 0.000 0.000 0.271 388 I C 1.460 177.565 176.117 -0.020 0.000 1.190 388 I CA 1.086 62.375 61.300 -0.018 0.000 1.472 388 I CB -0.819 37.177 38.000 -0.008 0.000 1.116 388 I HN 0.306 nan 8.210 nan 0.000 0.443 389 A N 1.879 124.694 122.820 -0.007 0.000 2.239 389 A HA 0.537 4.857 4.320 0.000 0.000 0.303 389 A C -0.593 177.004 177.584 0.023 0.000 1.114 389 A CA -0.267 51.782 52.037 0.021 0.000 0.871 389 A CB 0.406 19.457 19.000 0.084 0.000 1.201 389 A HN 0.382 nan 8.150 nan 0.000 0.506 390 D N -1.818 118.600 120.400 0.031 0.000 2.354 390 D HA 0.379 5.019 4.640 0.000 0.000 0.230 390 D C -0.141 176.115 176.300 -0.073 0.000 1.361 390 D CA 0.260 54.280 54.000 0.033 0.000 0.992 390 D CB 0.289 41.057 40.800 -0.053 0.000 1.409 390 D HN 1.380 nan 8.370 nan 0.000 0.573 391 A N 2.127 124.913 122.820 -0.057 0.000 2.045 391 A HA -0.214 4.106 4.320 0.000 0.000 0.260 391 A C 0.973 178.256 177.584 -0.502 0.000 1.279 391 A CA 2.294 54.064 52.037 -0.445 0.000 0.788 391 A CB -1.304 17.556 19.000 -0.234 0.000 1.079 391 A HN 0.840 nan 8.150 nan 0.000 0.339 392 E N -2.177 117.675 120.200 -0.580 0.000 1.744 392 E HA -0.125 4.225 4.350 0.000 0.000 0.249 392 E C 1.364 177.491 176.600 -0.788 0.000 1.063 392 E CA 0.469 56.355 56.400 -0.857 0.000 1.656 392 E CB -0.885 28.333 29.700 -0.804 0.000 3.914 392 E HN 0.320 nan 8.360 nan 0.000 0.920 393 K N 0.934 121.089 120.400 -0.408 0.000 2.103 393 K HA -0.100 4.220 4.320 0.000 0.000 0.207 393 K C 1.790 178.355 176.600 -0.059 0.000 1.048 393 K CA 1.976 58.178 56.287 -0.141 0.000 0.930 393 K CB -0.538 31.932 32.500 -0.050 0.000 0.716 393 K HN 0.190 nan 8.250 nan 0.000 0.444 394 F N 1.270 121.032 119.950 -0.313 0.000 2.009 394 F HA -0.164 4.363 4.527 -0.000 0.000 0.293 394 F C 2.356 177.968 175.800 -0.313 0.000 1.156 394 F CA 2.181 59.985 58.000 -0.326 0.000 1.168 394 F CB -1.345 37.284 39.000 -0.617 0.000 0.981 394 F HN 0.213 nan 8.300 nan 0.000 0.475 395 S N 1.037 116.267 115.700 -0.784 0.000 2.393 395 S HA -0.372 4.098 4.470 0.000 0.000 0.235 395 S C 2.278 176.747 174.600 -0.218 0.000 1.061 395 S CA 1.994 59.668 58.200 -0.877 0.000 1.129 395 S CB -1.978 60.451 63.200 -1.285 0.000 1.011 395 S HN 0.536 nan 8.310 nan 0.000 0.436 396 F N 2.856 122.650 119.950 -0.259 0.000 2.008 396 F HA -0.271 4.256 4.527 0.000 0.000 0.297 396 F C 2.947 178.722 175.800 -0.041 0.000 1.156 396 F CA 1.692 59.635 58.000 -0.095 0.000 1.191 396 F CB -0.574 38.382 39.000 -0.075 0.000 0.955 396 F HN 0.339 nan 8.300 nan 0.000 0.497 397 M N -0.017 119.689 119.600 0.178 0.000 2.426 397 M HA -0.197 4.283 4.480 0.000 0.000 0.261 397 M C 1.758 178.090 176.300 0.053 0.000 1.068 397 M CA 1.655 57.023 55.300 0.113 0.000 1.066 397 M CB -0.613 32.048 32.600 0.103 0.000 1.399 397 M HN 0.381 nan 8.290 nan 0.000 0.449 398 L N 0.080 121.272 121.223 -0.053 0.000 2.168 398 L HA 0.230 4.570 4.340 0.000 0.000 0.203 398 L C 2.441 179.374 176.870 0.105 0.000 1.078 398 L CA 1.045 55.841 54.840 -0.074 0.000 0.780 398 L CB -0.468 41.358 42.059 -0.388 0.000 0.939 398 L HN 0.457 nan 8.230 nan 0.000 0.451 399 G N -0.255 108.647 108.800 0.170 0.000 2.484 399 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 399 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 399 G C 1.487 176.472 174.900 0.142 0.000 1.130 399 G CA 0.759 45.994 45.100 0.225 0.000 0.784 399 G HN 0.216 nan 8.290 nan 0.000 0.543 400 K N 0.598 121.079 120.400 0.135 0.000 1.973 400 K HA -0.060 4.260 4.320 0.000 0.000 0.210 400 K C 2.471 179.073 176.600 0.003 0.000 1.045 400 K CA 1.167 57.507 56.287 0.087 0.000 0.937 400 K CB -0.299 32.293 32.500 0.153 0.000 0.721 400 K HN 0.102 nan 8.250 nan 0.000 0.438 401 Q N 0.356 120.210 119.800 0.091 0.000 2.443 401 Q HA -0.125 4.215 4.340 0.000 0.000 0.213 401 Q C 1.869 177.971 176.000 0.170 0.000 0.982 401 Q CA 0.782 56.674 55.803 0.148 0.000 0.894 401 Q CB -0.303 28.568 28.738 0.221 0.000 0.947 401 Q HN 0.313 nan 8.270 nan 0.000 0.480 402 L N 0.018 121.314 121.223 0.122 0.000 2.084 402 L HA 0.141 4.481 4.340 0.000 0.000 0.202 402 L C 1.922 178.781 176.870 -0.017 0.000 1.074 402 L CA 1.822 56.742 54.840 0.134 0.000 0.757 402 L CB -0.756 41.422 42.059 0.198 0.000 0.918 402 L HN 0.041 nan 8.230 nan 0.000 0.444 403 A N -0.615 122.112 122.820 -0.155 0.000 2.209 403 A HA 0.150 4.470 4.320 0.000 0.000 0.212 403 A C 2.152 179.506 177.584 -0.385 0.000 1.158 403 A CA 0.874 52.734 52.037 -0.295 0.000 0.742 403 A CB -1.301 17.355 19.000 -0.574 0.000 0.790 403 A HN 0.537 nan 8.150 nan 0.000 0.472 404 G N -0.967 107.621 108.800 -0.353 0.000 2.404 404 G HA2 0.062 4.022 3.960 0.000 0.000 0.215 404 G HA3 0.062 4.022 3.960 0.000 0.000 0.215 404 G C 0.439 174.944 174.900 -0.659 0.000 1.174 404 G CA 0.589 45.379 45.100 -0.516 0.000 0.780 404 G HN 0.486 nan 8.290 nan 0.000 0.537 405 Y N 1.095 121.276 120.300 -0.199 0.000 2.446 405 Y HA 0.434 4.984 4.550 -0.000 0.000 0.338 405 Y C -1.930 173.760 175.900 -0.351 0.000 1.055 405 Y CA -2.893 55.056 58.100 -0.251 0.000 1.101 405 Y CB 1.703 40.048 38.460 -0.192 0.000 1.221 405 Y HN -0.082 nan 8.280 nan 0.000 0.460 406 P HA -0.013 nan 4.420 nan 0.000 0.266 406 P C 0.450 177.370 177.300 -0.633 0.000 1.193 406 P CA 0.122 62.734 63.100 -0.814 0.000 0.770 406 P CB 1.169 31.847 31.700 -1.702 0.000 0.836 407 R N 2.459 122.675 120.500 -0.474 0.000 2.196 407 R HA -0.261 4.079 4.340 0.000 0.000 0.234 407 R C 2.321 178.277 176.300 -0.574 0.000 1.113 407 R CA 2.663 58.475 56.100 -0.479 0.000 0.899 407 R CB -0.787 29.184 30.300 -0.547 0.000 0.863 407 R HN 0.566 nan 8.270 nan 0.000 0.430 408 Q N 0.229 119.628 119.800 -0.669 0.000 2.443 408 Q HA -0.124 4.216 4.340 0.000 0.000 0.213 408 Q C 1.441 177.132 176.000 -0.516 0.000 0.982 408 Q CA 1.748 57.315 55.803 -0.392 0.000 0.894 408 Q CB -0.133 28.562 28.738 -0.071 0.000 0.947 408 Q HN 0.495 nan 8.270 nan 0.000 0.480 409 A N 1.101 123.504 122.820 -0.695 0.000 1.850 409 A HA -0.012 4.308 4.320 0.000 0.000 0.212 409 A C 2.408 179.760 177.584 -0.387 0.000 1.208 409 A CA 1.222 52.863 52.037 -0.660 0.000 0.609 409 A CB -0.686 17.927 19.000 -0.646 0.000 0.860 409 A HN 0.420 nan 8.150 nan 0.000 0.448 410 S N 0.201 115.688 115.700 -0.355 0.000 2.383 410 S HA -0.207 4.263 4.470 0.000 0.000 0.229 410 S C 1.769 176.159 174.600 -0.350 0.000 1.030 410 S CA 1.661 59.688 58.200 -0.289 0.000 1.002 410 S CB -0.433 62.597 63.200 -0.283 0.000 0.829 410 S HN 0.661 nan 8.310 nan 0.000 0.467 411 E N 0.642 120.576 120.200 -0.444 0.000 2.048 411 E HA -0.184 4.166 4.350 0.000 0.000 0.202 411 E C 2.049 178.509 176.600 -0.234 0.000 1.021 411 E CA 1.680 57.845 56.400 -0.391 0.000 0.825 411 E CB -0.466 29.059 29.700 -0.292 0.000 0.756 411 E HN 0.302 nan 8.360 nan 0.000 0.454 412 V N 1.399 121.205 119.914 -0.180 0.000 2.594 412 V HA -0.188 3.932 4.120 0.000 0.000 0.253 412 V C 1.314 177.388 176.094 -0.033 0.000 1.069 412 V CA 0.677 62.925 62.300 -0.088 0.000 1.082 412 V CB -0.551 31.294 31.823 0.037 0.000 0.680 412 V HN 0.340 nan 8.190 nan 0.000 0.469 413 M N -0.291 119.253 119.600 -0.093 0.000 2.175 413 M HA -0.113 4.367 4.480 0.000 0.000 0.355 413 M C -0.266 175.986 176.300 -0.080 0.000 1.102 413 M CA 0.679 55.921 55.300 -0.097 0.000 0.886 413 M CB -0.646 31.875 32.600 -0.132 0.000 1.730 413 M HN 0.246 nan 8.290 nan 0.000 0.475 414 F N 4.265 124.041 119.950 -0.290 0.000 2.371 414 F HA 0.314 4.841 4.527 0.000 0.000 0.363 414 F C -0.128 175.391 175.800 -0.470 0.000 1.122 414 F CA -0.823 56.933 58.000 -0.406 0.000 1.129 414 F CB 0.294 39.047 39.000 -0.412 0.000 1.173 414 F HN 0.487 nan 8.300 nan 0.000 0.489 415 N N 8.077 126.198 118.700 -0.964 0.000 2.501 415 N HA 0.439 5.179 4.740 0.000 0.000 0.245 415 N C -1.166 173.799 175.510 -0.909 0.000 0.974 415 N CA -0.632 51.745 53.050 -1.123 0.000 0.941 415 N CB 1.169 38.636 38.487 -1.700 0.000 1.122 415 N HN 0.535 nan 8.380 nan 0.000 0.507 416 L N -0.690 120.197 121.223 -0.559 0.000 2.333 416 L HA 0.606 4.946 4.340 0.000 0.000 0.269 416 L C -0.084 176.813 176.870 0.046 0.000 1.010 416 L CA -0.956 53.691 54.840 -0.322 0.000 0.818 416 L CB 1.517 43.348 42.059 -0.381 0.000 1.306 416 L HN 0.432 nan 8.230 nan 0.000 0.430 417 L N 0.143 121.404 121.223 0.064 0.000 2.701 417 L HA 0.331 4.671 4.340 0.000 0.000 0.238 417 L C -0.894 176.000 176.870 0.040 0.000 1.106 417 L CA 0.073 54.971 54.840 0.096 0.000 0.898 417 L CB 0.242 42.371 42.059 0.116 0.000 1.188 417 L HN 0.874 nan 8.230 nan 0.000 0.508 418 D N -1.585 118.814 120.400 -0.002 0.000 2.685 418 D HA 0.509 5.149 4.640 0.000 0.000 0.236 418 D C -0.626 175.463 176.300 -0.351 0.000 1.233 418 D CA -0.420 53.494 54.000 -0.144 0.000 0.760 418 D CB 1.322 42.046 40.800 -0.126 0.000 1.410 418 D HN -0.042 nan 8.370 nan 0.000 0.439 419 S N -1.235 114.030 115.700 -0.725 0.000 2.694 419 S HA 0.407 4.877 4.470 0.000 0.000 0.273 419 S C 0.724 174.755 174.600 -0.948 0.000 1.180 419 S CA -0.216 57.393 58.200 -0.985 0.000 0.864 419 S CB 0.397 63.368 63.200 -0.381 0.000 1.198 419 S HN 0.804 nan 8.310 nan 0.000 0.499 420 H N 1.286 120.380 119.070 0.040 0.000 2.296 420 H HA -0.065 4.491 4.556 0.000 0.000 0.291 420 H C 0.593 176.020 175.328 0.165 0.000 1.074 420 H CA 2.233 58.480 56.048 0.332 0.000 1.176 420 H CB -1.282 28.773 29.762 0.487 0.000 1.357 420 H HN 0.582 nan 8.280 nan 0.000 0.520 421 D N 0.550 121.262 120.400 0.519 0.000 2.332 421 D HA 0.034 4.674 4.640 0.000 0.000 0.244 421 D C 1.189 177.560 176.300 0.119 0.000 1.136 421 D CA 0.995 55.207 54.000 0.353 0.000 0.884 421 D CB -0.212 40.895 40.800 0.511 0.000 0.906 421 D HN 0.735 nan 8.370 nan 0.000 0.520 422 T N -2.751 111.778 114.554 -0.042 0.000 1.938 422 T HA 0.731 5.081 4.350 0.000 0.000 0.190 422 T C 0.300 174.947 174.700 -0.088 0.000 0.738 422 T CA -0.151 61.883 62.100 -0.109 0.000 1.390 422 T CB 0.947 69.707 68.868 -0.180 0.000 3.294 422 T HN -0.021 nan 8.240 nan 0.000 0.416 423 A N -0.428 122.315 122.820 -0.129 0.000 2.588 423 A HA 0.751 5.071 4.320 0.000 0.000 0.290 423 A C -0.781 176.742 177.584 -0.101 0.000 1.136 423 A CA -1.044 50.947 52.037 -0.077 0.000 0.681 423 A CB 0.877 19.852 19.000 -0.043 0.000 1.282 423 A HN 0.604 nan 8.150 nan 0.000 0.421 424 R N -0.562 119.913 120.500 -0.041 0.000 2.801 424 R HA 0.224 4.564 4.340 0.000 0.000 0.273 424 R C 0.924 177.211 176.300 -0.023 0.000 1.080 424 R CA -0.442 55.649 56.100 -0.016 0.000 1.197 424 R CB 0.036 30.330 30.300 -0.010 0.000 1.109 424 R HN 0.691 nan 8.270 nan 0.000 0.535 425 L N 1.193 122.418 121.223 0.003 0.000 2.084 425 L HA 0.002 4.342 4.340 0.000 0.000 0.202 425 L C 1.804 178.673 176.870 -0.003 0.000 1.074 425 L CA 1.337 56.179 54.840 0.004 0.000 0.757 425 L CB -0.624 41.466 42.059 0.052 0.000 0.918 425 L HN 0.499 nan 8.230 nan 0.000 0.444 426 L N -0.461 120.769 121.223 0.012 0.000 2.700 426 L HA -0.046 4.294 4.340 0.000 0.000 0.240 426 L C 1.914 178.777 176.870 -0.013 0.000 1.162 426 L CA 1.698 56.539 54.840 0.002 0.000 0.874 426 L CB -0.997 41.069 42.059 0.012 0.000 1.001 426 L HN 0.628 nan 8.230 nan 0.000 0.447 427 T N -5.693 108.853 114.554 -0.015 0.000 3.004 427 T HA -0.065 4.285 4.350 0.000 0.000 0.243 427 T C 1.646 176.337 174.700 -0.015 0.000 1.020 427 T CA 0.260 62.352 62.100 -0.015 0.000 1.145 427 T CB -0.320 68.540 68.868 -0.012 0.000 0.876 427 T HN 0.338 nan 8.240 nan 0.000 0.449 428 Q N 1.568 121.357 119.800 -0.019 0.000 2.248 428 Q HA 0.091 4.431 4.340 0.000 0.000 0.208 428 Q C 0.897 176.887 176.000 -0.017 0.000 0.984 428 Q CA 1.126 56.923 55.803 -0.010 0.000 0.875 428 Q CB -0.288 28.429 28.738 -0.035 0.000 0.910 428 Q HN 0.683 nan 8.270 nan 0.000 0.433 429 A N 1.672 124.473 122.820 -0.033 0.000 2.273 429 A HA 0.236 4.556 4.320 0.000 0.000 0.320 429 A C -1.145 176.422 177.584 -0.028 0.000 1.358 429 A CA -0.721 51.296 52.037 -0.033 0.000 0.910 429 A CB 0.416 19.393 19.000 -0.038 0.000 1.159 429 A HN 0.044 nan 8.150 nan 0.000 0.526 430 D N 2.801 123.186 120.400 -0.025 0.000 2.686 430 D HA 0.251 4.891 4.640 0.000 0.000 0.278 430 D C 1.630 177.907 176.300 -0.037 0.000 1.453 430 D CA 2.095 56.079 54.000 -0.027 0.000 1.348 430 D CB -0.294 40.490 40.800 -0.026 0.000 1.158 430 D HN 0.949 nan 8.370 nan 0.000 0.559 431 G N 2.889 111.670 108.800 -0.032 0.000 2.771 431 G HA2 -0.450 3.510 3.960 0.000 0.000 0.239 431 G HA3 -0.450 3.510 3.960 0.000 0.000 0.239 431 G C 0.562 175.432 174.900 -0.050 0.000 1.087 431 G CA 0.396 45.474 45.100 -0.036 0.000 0.712 431 G HN 0.649 nan 8.290 nan 0.000 0.541 432 D N 1.601 121.958 120.400 -0.071 0.000 2.659 432 D HA -0.001 4.639 4.640 0.000 0.000 0.264 432 D C 1.821 178.063 176.300 -0.097 0.000 1.329 432 D CA 0.548 54.480 54.000 -0.113 0.000 0.963 432 D CB 0.325 41.035 40.800 -0.150 0.000 1.136 432 D HN 0.411 nan 8.370 nan 0.000 0.554 433 K N 4.488 124.834 120.400 -0.090 0.000 2.026 433 K HA -0.170 4.150 4.320 0.000 0.000 0.208 433 K C 1.959 178.508 176.600 -0.085 0.000 1.048 433 K CA 0.802 57.053 56.287 -0.059 0.000 0.929 433 K CB -0.305 32.164 32.500 -0.052 0.000 0.713 433 K HN 0.375 nan 8.250 nan 0.000 0.439 434 R N 1.548 121.955 120.500 -0.155 0.000 2.222 434 R HA -0.190 4.150 4.340 0.000 0.000 0.235 434 R C 2.358 178.631 176.300 -0.046 0.000 1.112 434 R CA 2.265 58.258 56.100 -0.178 0.000 0.897 434 R CB -0.533 29.507 30.300 -0.433 0.000 0.882 434 R HN 0.248 nan 8.270 nan 0.000 0.429 435 K N 0.143 120.514 120.400 -0.048 0.000 2.127 435 K HA -0.264 4.056 4.320 0.000 0.000 0.208 435 K C 2.167 178.820 176.600 0.089 0.000 1.047 435 K CA 1.885 58.261 56.287 0.149 0.000 0.927 435 K CB -0.308 32.259 32.500 0.113 0.000 0.716 435 K HN 0.319 nan 8.250 nan 0.000 0.450 436 M N 1.582 121.199 119.600 0.029 0.000 2.065 436 M HA -0.257 4.223 4.480 0.000 0.000 0.259 436 M C 1.786 178.116 176.300 0.050 0.000 1.071 436 M CA 1.806 57.127 55.300 0.035 0.000 1.109 436 M CB -0.100 32.530 32.600 0.050 0.000 1.313 436 M HN -0.011 nan 8.290 nan 0.000 0.408 437 K N 0.413 120.845 120.400 0.054 0.000 2.090 437 K HA -0.271 4.049 4.320 0.000 0.000 0.218 437 K C 1.854 178.559 176.600 0.176 0.000 1.055 437 K CA 2.375 58.740 56.287 0.129 0.000 0.941 437 K CB -0.926 31.464 32.500 -0.184 0.000 0.722 437 K HN 0.431 nan 8.250 nan 0.000 0.458 438 L N 0.284 121.545 121.223 0.064 0.000 1.934 438 L HA -0.324 4.016 4.340 0.000 0.000 0.227 438 L C 2.638 179.312 176.870 -0.325 0.000 1.084 438 L CA 1.576 56.370 54.840 -0.076 0.000 0.790 438 L CB -0.903 41.126 42.059 -0.050 0.000 0.896 438 L HN 0.347 nan 8.230 nan 0.000 0.437 439 A N -0.310 122.132 122.820 -0.630 0.000 1.909 439 A HA -0.269 4.051 4.320 0.000 0.000 0.221 439 A C 2.273 179.826 177.584 -0.052 0.000 1.223 439 A CA 2.761 54.513 52.037 -0.476 0.000 0.658 439 A CB -1.310 17.560 19.000 -0.218 0.000 0.831 439 A HN 0.287 nan 8.150 nan 0.000 0.462 440 V N -0.180 119.744 119.914 0.017 0.000 2.214 440 V HA -0.309 3.811 4.120 0.000 0.000 0.247 440 V C 2.451 178.636 176.094 0.152 0.000 1.051 440 V CA 2.279 64.637 62.300 0.096 0.000 1.003 440 V CB -1.118 30.629 31.823 -0.126 0.000 0.635 440 V HN 0.662 nan 8.190 nan 0.000 0.447 441 L N 0.011 121.278 121.223 0.074 0.000 1.978 441 L HA -0.253 4.087 4.340 0.000 0.000 0.218 441 L C 2.216 179.243 176.870 0.261 0.000 1.075 441 L CA 2.549 57.467 54.840 0.130 0.000 0.767 441 L CB -1.288 40.923 42.059 0.253 0.000 0.890 441 L HN 0.380 nan 8.230 nan 0.000 0.434 442 F N 0.493 120.506 119.950 0.106 0.000 2.120 442 F HA -0.305 4.222 4.527 0.000 0.000 0.300 442 F C 2.663 178.592 175.800 0.216 0.000 1.095 442 F CA 2.314 60.431 58.000 0.195 0.000 1.249 442 F CB -0.770 38.223 39.000 -0.011 0.000 0.995 442 F HN 0.504 nan 8.300 nan 0.000 0.480 443 Q N -0.669 119.131 119.800 -0.000 0.000 2.061 443 Q HA -0.234 4.106 4.340 0.000 0.000 0.204 443 Q C 2.236 178.167 176.000 -0.115 0.000 0.984 443 Q CA 2.357 58.144 55.803 -0.026 0.000 0.846 443 Q CB -0.476 28.351 28.738 0.149 0.000 0.902 443 Q HN 0.428 nan 8.270 nan 0.000 0.421 444 F N 0.601 120.504 119.950 -0.078 0.000 2.206 444 F HA -0.104 4.423 4.527 0.000 0.000 0.298 444 F C 2.752 178.533 175.800 -0.031 0.000 1.090 444 F CA 1.607 59.573 58.000 -0.057 0.000 1.323 444 F CB -0.902 38.070 39.000 -0.046 0.000 1.028 444 F HN 0.265 nan 8.300 nan 0.000 0.492 445 T N -2.315 112.361 114.554 0.203 0.000 2.788 445 T HA -0.249 4.101 4.350 0.000 0.000 0.268 445 T C 0.992 175.744 174.700 0.087 0.000 1.044 445 T CA 0.731 62.961 62.100 0.217 0.000 1.139 445 T CB -0.993 68.120 68.868 0.409 0.000 0.867 445 T HN 0.102 nan 8.240 nan 0.000 0.454 446 Y N 2.941 123.035 120.300 -0.344 0.000 2.385 446 Y HA 0.397 4.947 4.550 -0.000 0.000 0.346 446 Y C 0.623 176.228 175.900 -0.492 0.000 1.270 446 Y CA -2.465 55.217 58.100 -0.697 0.000 1.472 446 Y CB 0.150 37.896 38.460 -1.191 0.000 1.354 446 Y HN 0.254 nan 8.280 nan 0.000 0.611 447 F N 0.794 120.186 119.950 -0.930 0.000 2.181 447 F HA 0.720 5.247 4.527 -0.000 0.000 0.285 447 F C 0.740 176.180 175.800 -0.600 0.000 1.134 447 F CA -1.095 56.515 58.000 -0.650 0.000 1.139 447 F CB -0.836 37.787 39.000 -0.627 0.000 1.614 447 F HN 0.804 nan 8.300 nan 0.000 0.519 448 G N -0.272 108.561 108.800 0.055 0.000 2.846 448 G HA2 0.093 4.053 3.960 0.000 0.000 0.660 448 G HA3 0.093 4.053 3.960 0.000 0.000 0.660 448 G C -0.360 174.387 174.900 -0.254 0.000 1.464 448 G CA -0.522 44.508 45.100 -0.116 0.000 0.891 448 G HN 1.619 nan 8.290 nan 0.000 0.552 449 T N 0.505 114.898 114.554 -0.269 0.000 2.737 449 T HA 0.619 4.969 4.350 0.000 0.000 0.296 449 T C -1.596 172.849 174.700 -0.425 0.000 0.922 449 T CA -0.616 61.342 62.100 -0.236 0.000 1.079 449 T CB 1.808 70.557 68.868 -0.198 0.000 0.892 449 T HN 0.644 nan 8.240 nan 0.000 0.514 450 P HA 0.403 nan 4.420 nan 0.000 0.281 450 P C -0.802 176.285 177.300 -0.355 0.000 1.249 450 P CA -0.650 62.065 63.100 -0.641 0.000 0.810 450 P CB 1.110 32.115 31.700 -1.159 0.000 1.008 451 C N 4.336 123.423 119.300 -0.355 0.000 2.701 451 C HA 0.532 4.992 4.460 0.000 0.000 0.336 451 C C -1.087 173.958 174.990 0.092 0.000 1.123 451 C CA -0.586 58.413 59.018 -0.032 0.000 1.326 451 C CB 0.248 27.864 27.740 -0.207 0.000 1.833 451 C HN 0.404 nan 8.230 nan 0.000 0.473 452 I N 6.345 127.053 120.570 0.231 0.000 2.354 452 I HA 0.235 4.405 4.170 0.000 0.000 0.286 452 I C -0.152 176.005 176.117 0.065 0.000 1.007 452 I CA -0.523 60.896 61.300 0.198 0.000 1.167 452 I CB 0.686 38.849 38.000 0.271 0.000 1.320 452 I HN 0.734 nan 8.210 nan 0.000 0.458 453 Y N 8.611 128.884 120.300 -0.045 0.000 2.881 453 Y HA -0.152 4.398 4.550 -0.000 0.000 0.335 453 Y C 0.422 176.130 175.900 -0.320 0.000 1.263 453 Y CA -0.065 57.968 58.100 -0.111 0.000 1.572 453 Y CB -0.121 38.272 38.460 -0.112 0.000 1.237 453 Y HN 0.498 nan 8.280 nan 0.000 0.568 454 Y N 3.743 123.642 120.300 -0.669 0.000 2.993 454 Y HA 0.242 4.792 4.550 0.000 0.000 0.340 454 Y C 1.215 176.856 175.900 -0.432 0.000 1.273 454 Y CA -0.201 57.444 58.100 -0.758 0.000 1.545 454 Y CB -0.017 38.050 38.460 -0.655 0.000 1.275 454 Y HN 0.930 nan 8.280 nan 0.000 0.617 455 G N 2.426 111.083 108.800 -0.238 0.000 2.253 455 G HA2 -0.391 3.569 3.960 0.000 0.000 0.251 455 G HA3 -0.391 3.569 3.960 0.000 0.000 0.251 455 G C 0.810 175.556 174.900 -0.257 0.000 0.998 455 G CA 0.442 45.386 45.100 -0.261 0.000 0.621 455 G HN 0.679 nan 8.290 nan 0.000 0.524 456 D N 1.460 121.703 120.400 -0.262 0.000 2.203 456 D HA -0.032 4.608 4.640 0.000 0.000 0.199 456 D C 2.089 178.261 176.300 -0.213 0.000 0.997 456 D CA 1.610 55.520 54.000 -0.152 0.000 0.863 456 D CB -0.233 40.527 40.800 -0.067 0.000 0.928 456 D HN 0.725 nan 8.370 nan 0.000 0.458 457 E N -0.502 119.447 120.200 -0.419 0.000 2.520 457 E HA -0.024 4.326 4.350 0.000 0.000 0.201 457 E C 1.545 178.161 176.600 0.027 0.000 1.122 457 E CA 0.155 56.386 56.400 -0.282 0.000 0.896 457 E CB -0.173 29.526 29.700 -0.003 0.000 0.891 457 E HN 0.387 nan 8.360 nan 0.000 0.533 458 V N -4.778 115.096 119.914 -0.068 0.000 3.180 458 V HA 0.495 4.615 4.120 0.000 0.000 0.246 458 V C 0.806 176.860 176.094 -0.068 0.000 1.545 458 V CA 0.199 62.426 62.300 -0.122 0.000 1.138 458 V CB 0.092 31.693 31.823 -0.370 0.000 0.978 458 V HN 0.254 nan 8.190 nan 0.000 0.437 459 G N 1.459 110.224 108.800 -0.057 0.000 3.307 459 G HA2 -0.027 3.933 3.960 0.000 0.000 0.686 459 G HA3 -0.027 3.933 3.960 0.000 0.000 0.686 459 G C -1.117 173.738 174.900 -0.075 0.000 0.983 459 G CA -0.100 44.980 45.100 -0.033 0.000 0.804 459 G HN 0.880 nan 8.290 nan 0.000 0.531 460 L N 2.757 123.935 121.223 -0.075 0.000 2.376 460 L HA 0.367 4.707 4.340 0.000 0.000 0.275 460 L C -0.258 176.577 176.870 -0.058 0.000 0.987 460 L CA -1.133 53.655 54.840 -0.085 0.000 0.828 460 L CB 1.892 43.877 42.059 -0.124 0.000 1.249 460 L HN 0.518 nan 8.230 nan 0.000 0.409 461 D N 4.103 124.472 120.400 -0.052 0.000 2.540 461 D HA 0.175 4.815 4.640 0.000 0.000 0.237 461 D C 0.526 176.802 176.300 -0.040 0.000 1.181 461 D CA 0.263 54.240 54.000 -0.039 0.000 1.119 461 D CB 1.031 41.810 40.800 -0.035 0.000 1.119 461 D HN 0.815 nan 8.370 nan 0.000 0.498 462 G N -0.470 108.311 108.800 -0.032 0.000 3.418 462 G HA2 0.661 4.621 3.960 0.000 0.000 0.179 462 G HA3 0.661 4.621 3.960 0.000 0.000 0.179 462 G C 0.085 174.985 174.900 0.000 0.000 1.212 462 G CA 0.111 45.197 45.100 -0.024 0.000 0.935 462 G HN 0.632 nan 8.290 nan 0.000 0.716 463 G N -1.643 107.163 108.800 0.011 0.000 2.629 463 G HA2 0.399 4.359 3.960 0.000 0.000 0.686 463 G HA3 0.399 4.359 3.960 0.000 0.000 0.686 463 G C -0.172 174.796 174.900 0.112 0.000 1.232 463 G CA 0.507 45.627 45.100 0.034 0.000 0.803 463 G HN 2.102 nan 8.290 nan 0.000 0.638 464 H N -0.295 118.755 119.070 -0.032 0.000 3.195 464 H HA -0.139 4.417 4.556 0.000 0.000 0.330 464 H C 0.438 175.753 175.328 -0.023 0.000 1.015 464 H CA 0.467 56.498 56.048 -0.027 0.000 1.043 464 H CB -0.271 29.477 29.762 -0.023 0.000 1.581 464 H HN 1.023 nan 8.280 nan 0.000 0.365 465 D N 5.581 126.056 120.400 0.125 0.000 2.703 465 D HA -0.071 4.569 4.640 0.000 0.000 0.225 465 D C -1.301 174.968 176.300 -0.052 0.000 1.119 465 D CA 0.082 54.100 54.000 0.031 0.000 0.845 465 D CB 0.774 41.602 40.800 0.048 0.000 1.182 465 D HN 0.432 nan 8.370 nan 0.000 0.493 466 P HA 0.124 nan 4.420 nan 0.000 0.249 466 P C 1.016 178.289 177.300 -0.045 0.000 1.593 466 P CA -0.213 62.856 63.100 -0.051 0.000 0.896 466 P CB 0.044 31.707 31.700 -0.061 0.000 1.581 467 G N 1.701 110.488 108.800 -0.022 0.000 2.545 467 G HA2 -0.294 3.666 3.960 0.000 0.000 0.217 467 G HA3 -0.294 3.666 3.960 0.000 0.000 0.217 467 G C 0.823 175.708 174.900 -0.025 0.000 1.218 467 G CA 0.866 45.956 45.100 -0.017 0.000 0.787 467 G HN 0.558 nan 8.290 nan 0.000 0.571 468 C N 0.443 119.747 119.300 0.007 0.000 3.031 468 C HA 0.715 5.175 4.460 0.000 0.000 0.489 468 C C 0.772 175.778 174.990 0.027 0.000 1.020 468 C CA -1.141 57.904 59.018 0.045 0.000 1.104 468 C CB -1.291 26.526 27.740 0.128 0.000 1.470 468 C HN 0.306 nan 8.230 nan 0.000 0.583 469 R N 0.665 121.120 120.500 -0.075 0.000 2.569 469 R HA 0.192 4.532 4.340 0.000 0.000 0.429 469 R C -0.433 175.805 176.300 -0.104 0.000 0.994 469 R CA -0.102 55.874 56.100 -0.207 0.000 1.089 469 R CB 0.016 30.123 30.300 -0.322 0.000 1.420 469 R HN 0.664 nan 8.270 nan 0.000 0.615 470 K N 0.726 121.109 120.400 -0.030 0.000 2.270 470 K HA 0.144 4.464 4.320 0.000 0.000 0.276 470 K C 0.232 176.850 176.600 0.031 0.000 1.023 470 K CA -0.136 56.136 56.287 -0.025 0.000 0.955 470 K CB 1.537 34.003 32.500 -0.056 0.000 0.975 470 K HN 0.050 nan 8.250 nan 0.000 0.471 471 C N 5.930 125.179 119.300 -0.084 0.000 2.667 471 C HA 0.066 4.526 4.460 0.000 0.000 0.392 471 C C 0.688 175.653 174.990 -0.042 0.000 1.332 471 C CA -0.654 58.235 59.018 -0.216 0.000 1.594 471 C CB -1.629 25.853 27.740 -0.431 0.000 2.345 471 C HN 0.826 nan 8.230 nan 0.000 0.594 472 M N 6.320 125.959 119.600 0.065 0.000 2.453 472 M HA 0.030 4.510 4.480 0.000 0.000 0.420 472 M C 0.353 176.471 176.300 -0.304 0.000 1.649 472 M CA 1.236 56.517 55.300 -0.032 0.000 0.937 472 M CB -0.081 32.560 32.600 0.070 0.000 2.111 472 M HN 0.650 nan 8.290 nan 0.000 0.497 473 E N 4.181 124.211 120.200 -0.284 0.000 2.354 473 E HA 0.028 4.378 4.350 0.000 0.000 0.269 473 E C -0.596 175.829 176.600 -0.293 0.000 1.036 473 E CA 0.482 56.783 56.400 -0.165 0.000 0.876 473 E CB 0.393 30.057 29.700 -0.061 0.000 1.009 473 E HN 0.910 nan 8.360 nan 0.000 0.416 474 W N 0.362 121.738 121.300 0.127 0.000 2.862 474 W HA 0.105 4.765 4.660 0.000 0.000 0.376 474 W C 0.319 176.852 176.519 0.023 0.000 1.028 474 W CA -0.515 56.916 57.345 0.142 0.000 1.757 474 W CB 0.622 30.058 29.460 -0.040 0.000 1.128 474 W HN 0.309 nan 8.180 nan 0.000 0.566 475 D N 1.705 122.262 120.400 0.263 0.000 2.498 475 D HA -0.010 4.630 4.640 0.000 0.000 0.229 475 D C 1.130 177.430 176.300 -0.002 0.000 1.188 475 D CA 0.489 54.555 54.000 0.110 0.000 1.028 475 D CB 0.264 41.145 40.800 0.134 0.000 1.087 475 D HN 0.262 nan 8.370 nan 0.000 0.510 476 E N 0.819 120.794 120.200 -0.375 0.000 2.492 476 E HA -0.187 4.163 4.350 0.000 0.000 0.204 476 E C 1.556 178.116 176.600 -0.067 0.000 1.073 476 E CA 0.984 57.083 56.400 -0.502 0.000 0.887 476 E CB 0.076 29.563 29.700 -0.354 0.000 0.813 476 E HN 0.597 nan 8.360 nan 0.000 0.562 477 T N -1.250 113.315 114.554 0.018 0.000 2.937 477 T HA -0.062 4.288 4.350 0.000 0.000 0.260 477 T C 1.864 176.616 174.700 0.087 0.000 1.051 477 T CA 0.751 62.881 62.100 0.051 0.000 1.141 477 T CB 0.076 68.970 68.868 0.043 0.000 0.879 477 T HN -0.084 nan 8.240 nan 0.000 0.459 478 K N 0.375 120.853 120.400 0.130 0.000 2.361 478 K HA 0.119 4.439 4.320 0.000 0.000 0.196 478 K C 0.005 176.682 176.600 0.129 0.000 1.039 478 K CA -0.020 56.332 56.287 0.108 0.000 1.001 478 K CB -0.563 31.986 32.500 0.082 0.000 0.795 478 K HN 0.424 nan 8.250 nan 0.000 0.495 479 H N 1.928 120.995 119.070 -0.005 0.000 3.187 479 H HA -0.036 4.520 4.556 -0.000 0.000 0.286 479 H C -0.457 174.890 175.328 0.031 0.000 0.944 479 H CA 0.626 56.667 56.048 -0.011 0.000 1.429 479 H CB 0.205 29.947 29.762 -0.033 0.000 1.483 479 H HN 0.127 nan 8.280 nan 0.000 0.555 480 D N 4.488 124.944 120.400 0.093 0.000 2.934 480 D HA -0.051 4.589 4.640 0.000 0.000 0.237 480 D C 1.544 177.948 176.300 0.173 0.000 1.158 480 D CA -0.013 54.051 54.000 0.107 0.000 0.971 480 D CB 0.294 41.137 40.800 0.072 0.000 1.123 480 D HN 0.454 nan 8.370 nan 0.000 0.467 481 K N 1.420 121.949 120.400 0.215 0.000 2.137 481 K HA -0.301 4.019 4.320 0.000 0.000 0.216 481 K C 1.455 178.212 176.600 0.263 0.000 1.052 481 K CA 1.983 58.444 56.287 0.290 0.000 0.939 481 K CB -0.255 32.380 32.500 0.225 0.000 0.724 481 K HN 0.262 nan 8.250 nan 0.000 0.465 482 D N -0.590 119.913 120.400 0.171 0.000 2.154 482 D HA -0.236 4.404 4.640 0.000 0.000 0.190 482 D C 1.821 178.226 176.300 0.175 0.000 1.003 482 D CA 1.952 56.030 54.000 0.130 0.000 0.849 482 D CB -0.381 40.464 40.800 0.074 0.000 0.942 482 D HN 0.231 nan 8.370 nan 0.000 0.446 483 L N -0.701 120.649 121.223 0.212 0.000 1.976 483 L HA -0.024 4.316 4.340 0.000 0.000 0.209 483 L C 2.214 179.358 176.870 0.457 0.000 1.071 483 L CA 1.923 56.948 54.840 0.307 0.000 0.746 483 L CB -1.327 40.901 42.059 0.282 0.000 0.890 483 L HN 0.216 nan 8.230 nan 0.000 0.432 484 F N 0.867 120.973 119.950 0.261 0.000 2.043 484 F HA -0.311 4.216 4.527 0.000 0.000 0.297 484 F C 2.338 178.270 175.800 0.219 0.000 1.118 484 F CA 1.992 60.134 58.000 0.237 0.000 1.202 484 F CB -1.181 37.903 39.000 0.140 0.000 0.965 484 F HN 0.198 nan 8.300 nan 0.000 0.482 485 A N 0.359 123.131 122.820 -0.080 0.000 1.903 485 A HA -0.292 4.028 4.320 0.000 0.000 0.219 485 A C 2.231 179.748 177.584 -0.111 0.000 1.191 485 A CA 1.923 53.827 52.037 -0.220 0.000 0.638 485 A CB -1.850 17.140 19.000 -0.016 0.000 0.823 485 A HN 0.573 nan 8.150 nan 0.000 0.451 486 F N -0.676 119.211 119.950 -0.106 0.000 2.091 486 F HA -0.253 4.274 4.527 0.000 0.000 0.299 486 F C 2.089 177.772 175.800 -0.195 0.000 1.103 486 F CA 1.765 59.685 58.000 -0.133 0.000 1.228 486 F CB -0.872 38.069 39.000 -0.097 0.000 0.984 486 F HN 0.351 nan 8.300 nan 0.000 0.477 487 Y N 0.807 120.919 120.300 -0.314 0.000 2.128 487 Y HA -0.314 4.236 4.550 0.000 0.000 0.284 487 Y C 2.706 178.328 175.900 -0.463 0.000 1.154 487 Y CA 2.234 60.072 58.100 -0.436 0.000 1.149 487 Y CB -0.679 37.697 38.460 -0.141 0.000 0.976 487 Y HN 0.204 nan 8.280 nan 0.000 0.505 488 Q N -0.831 118.796 119.800 -0.289 0.000 2.030 488 Q HA -0.205 4.135 4.340 0.000 0.000 0.204 488 Q C 2.120 177.969 176.000 -0.252 0.000 0.986 488 Q CA 2.266 57.893 55.803 -0.294 0.000 0.843 488 Q CB -0.648 27.842 28.738 -0.414 0.000 0.904 488 Q HN 0.421 nan 8.270 nan 0.000 0.420 489 T N 1.204 115.595 114.554 -0.271 0.000 2.516 489 T HA -0.219 4.131 4.350 0.000 0.000 0.261 489 T C 2.038 176.567 174.700 -0.285 0.000 1.130 489 T CA 1.773 63.731 62.100 -0.237 0.000 1.193 489 T CB -0.800 67.945 68.868 -0.205 0.000 0.864 489 T HN 0.075 nan 8.240 nan 0.000 0.410 490 V N 1.983 121.610 119.914 -0.478 0.000 2.256 490 V HA -0.345 3.775 4.120 0.000 0.000 0.256 490 V C 2.400 178.313 176.094 -0.301 0.000 1.060 490 V CA 2.491 64.482 62.300 -0.514 0.000 1.081 490 V CB -1.058 30.197 31.823 -0.946 0.000 0.709 490 V HN 0.508 nan 8.190 nan 0.000 0.471 491 I N -0.468 119.893 120.570 -0.347 0.000 2.091 491 I HA -0.352 3.818 4.170 0.000 0.000 0.240 491 I C 2.647 178.774 176.117 0.017 0.000 1.046 491 I CA 2.040 63.307 61.300 -0.056 0.000 1.306 491 I CB -0.725 37.276 38.000 0.003 0.000 1.018 491 I HN 0.315 nan 8.210 nan 0.000 0.404 492 R N 0.589 121.070 120.500 -0.032 0.000 2.228 492 R HA -0.205 4.135 4.340 0.000 0.000 0.259 492 R C 1.981 178.315 176.300 0.058 0.000 1.183 492 R CA 1.479 57.579 56.100 -0.001 0.000 1.002 492 R CB -1.272 29.007 30.300 -0.035 0.000 0.879 492 R HN 0.387 nan 8.270 nan 0.000 0.467 493 L N -0.209 121.059 121.223 0.075 0.000 2.102 493 L HA 0.067 4.407 4.340 0.000 0.000 0.202 493 L C 2.641 179.688 176.870 0.295 0.000 1.076 493 L CA 1.358 56.320 54.840 0.203 0.000 0.761 493 L CB -0.735 41.365 42.059 0.069 0.000 0.921 493 L HN 0.045 nan 8.230 nan 0.000 0.444 494 R N -0.184 120.433 120.500 0.196 0.000 2.088 494 R HA -0.217 4.123 4.340 0.000 0.000 0.232 494 R C 2.318 178.714 176.300 0.160 0.000 1.136 494 R CA 1.854 58.075 56.100 0.202 0.000 0.926 494 R CB -0.299 30.146 30.300 0.240 0.000 0.837 494 R HN 0.391 nan 8.270 nan 0.000 0.429 495 Q N -0.750 119.125 119.800 0.125 0.000 2.242 495 Q HA -0.253 4.087 4.340 0.000 0.000 0.211 495 Q C 1.969 177.983 176.000 0.024 0.000 0.992 495 Q CA 1.989 57.837 55.803 0.074 0.000 0.889 495 Q CB -0.160 28.613 28.738 0.059 0.000 0.913 495 Q HN 0.494 nan 8.270 nan 0.000 0.422 496 A N 0.426 123.243 122.820 -0.005 0.000 1.878 496 A HA -0.040 4.280 4.320 0.000 0.000 0.213 496 A C 0.175 177.571 177.584 -0.313 0.000 1.192 496 A CA 0.617 52.525 52.037 -0.214 0.000 0.619 496 A CB -0.197 18.565 19.000 -0.397 0.000 0.837 496 A HN 0.335 nan 8.150 nan 0.000 0.446 497 H N -1.266 117.831 119.070 0.045 0.000 2.556 497 H HA 0.635 5.191 4.556 0.000 0.000 0.310 497 H C 1.052 176.413 175.328 0.055 0.000 1.057 497 H CA -0.169 55.909 56.048 0.050 0.000 1.264 497 H CB 1.197 30.995 29.762 0.061 0.000 1.404 497 H HN 0.257 nan 8.280 nan 0.000 0.462 498 A N 3.711 126.607 122.820 0.127 0.000 1.903 498 A HA -0.267 4.053 4.320 0.000 0.000 0.219 498 A C 2.555 180.203 177.584 0.107 0.000 1.191 498 A CA 2.222 54.314 52.037 0.091 0.000 0.638 498 A CB -1.156 17.880 19.000 0.061 0.000 0.823 498 A HN 0.852 nan 8.150 nan 0.000 0.451 499 A N -0.104 122.792 122.820 0.128 0.000 1.957 499 A HA -0.271 4.049 4.320 0.000 0.000 0.224 499 A C 2.012 179.676 177.584 0.135 0.000 1.287 499 A CA 2.089 54.203 52.037 0.129 0.000 0.682 499 A CB -1.013 18.072 19.000 0.142 0.000 0.833 499 A HN 0.628 nan 8.150 nan 0.000 0.482 500 L N -2.288 119.022 121.223 0.145 0.000 2.633 500 L HA -0.095 4.245 4.340 0.000 0.000 0.235 500 L C 2.483 179.396 176.870 0.072 0.000 1.163 500 L CA 1.049 55.967 54.840 0.131 0.000 0.859 500 L CB -0.424 41.725 42.059 0.149 0.000 0.973 500 L HN 0.440 nan 8.230 nan 0.000 0.451 501 R N -0.878 119.662 120.500 0.066 0.000 2.610 501 R HA 0.096 4.436 4.340 0.000 0.000 0.171 501 R C 0.778 177.084 176.300 0.010 0.000 0.892 501 R CA 0.739 56.855 56.100 0.026 0.000 1.086 501 R CB 0.173 30.488 30.300 0.025 0.000 1.320 501 R HN 0.168 nan 8.270 nan 0.000 0.582 502 T N -0.190 114.377 114.554 0.023 0.000 3.278 502 T HA 0.565 4.915 4.350 0.000 0.000 0.246 502 T C -0.011 174.709 174.700 0.033 0.000 1.281 502 T CA -0.604 61.499 62.100 0.005 0.000 1.281 502 T CB 1.035 69.909 68.868 0.009 0.000 1.064 502 T HN 0.296 nan 8.240 nan 0.000 0.628 503 G N 0.370 109.202 108.800 0.053 0.000 2.667 503 G HA2 0.566 4.526 3.960 0.000 0.000 0.298 503 G HA3 0.566 4.526 3.960 0.000 0.000 0.298 503 G C -0.422 174.541 174.900 0.105 0.000 1.377 503 G CA -0.694 44.454 45.100 0.081 0.000 0.964 503 G HN 0.250 nan 8.290 nan 0.000 0.493 504 T N 0.581 115.193 114.554 0.097 0.000 2.855 504 T HA 0.284 4.634 4.350 0.000 0.000 0.322 504 T C -0.832 173.992 174.700 0.207 0.000 1.088 504 T CA 0.705 62.876 62.100 0.118 0.000 1.104 504 T CB 0.518 69.431 68.868 0.074 0.000 0.996 504 T HN 0.410 nan 8.240 nan 0.000 0.549 505 F N 1.821 121.795 119.950 0.040 0.000 2.539 505 F HA 0.520 5.047 4.527 0.000 0.000 0.328 505 F C -0.497 175.288 175.800 -0.025 0.000 1.148 505 F CA -0.859 57.148 58.000 0.012 0.000 0.940 505 F CB 1.005 40.016 39.000 0.017 0.000 1.194 505 F HN 0.315 nan 8.300 nan 0.000 0.438 506 K N 5.797 125.835 120.400 -0.603 0.000 2.378 506 K HA 0.388 4.708 4.320 0.000 0.000 0.252 506 K C -1.529 174.696 176.600 -0.626 0.000 0.931 506 K CA -0.853 55.158 56.287 -0.461 0.000 0.794 506 K CB 2.152 34.552 32.500 -0.166 0.000 1.181 506 K HN 0.446 nan 8.250 nan 0.000 0.425 507 F N 3.815 123.552 119.950 -0.355 0.000 2.462 507 F HA 0.090 4.617 4.527 -0.000 0.000 0.354 507 F C 1.050 176.773 175.800 -0.127 0.000 1.192 507 F CA -0.515 57.349 58.000 -0.227 0.000 1.173 507 F CB 0.236 39.151 39.000 -0.142 0.000 1.402 507 F HN 0.454 nan 8.300 nan 0.000 0.595 508 L N 1.250 122.509 121.223 0.060 0.000 2.127 508 L HA -0.116 4.224 4.340 0.000 0.000 0.211 508 L C 1.276 178.163 176.870 0.029 0.000 1.089 508 L CA 1.259 56.110 54.840 0.018 0.000 0.757 508 L CB -1.302 40.745 42.059 -0.021 0.000 0.899 508 L HN 0.584 nan 8.230 nan 0.000 0.434 509 T N -4.005 110.592 114.554 0.071 0.000 2.889 509 T HA 0.802 5.152 4.350 0.000 0.000 0.315 509 T C -0.729 173.938 174.700 -0.055 0.000 1.291 509 T CA -0.356 61.742 62.100 -0.004 0.000 1.028 509 T CB 2.392 71.240 68.868 -0.033 0.000 1.235 509 T HN 0.172 nan 8.240 nan 0.000 0.491 510 A N 1.594 124.309 122.820 -0.176 0.000 2.001 510 A HA 0.531 4.851 4.320 0.000 0.000 0.259 510 A C -0.767 176.641 177.584 -0.293 0.000 1.410 510 A CA -0.820 51.015 52.037 -0.335 0.000 1.208 510 A CB -0.329 18.306 19.000 -0.608 0.000 1.163 510 A HN 0.775 nan 8.150 nan 0.000 0.651 511 E N 1.557 121.628 120.200 -0.216 0.000 2.373 511 E HA 0.283 4.633 4.350 0.000 0.000 0.267 511 E C 0.973 177.453 176.600 -0.200 0.000 1.032 511 E CA -0.299 55.993 56.400 -0.180 0.000 0.889 511 E CB 1.015 30.633 29.700 -0.136 0.000 0.984 511 E HN 0.517 nan 8.360 nan 0.000 0.425 512 K N 1.888 122.180 120.400 -0.180 0.000 2.000 512 K HA -0.167 4.153 4.320 0.000 0.000 0.218 512 K C 0.654 177.172 176.600 -0.136 0.000 1.053 512 K CA 1.437 57.620 56.287 -0.174 0.000 0.946 512 K CB -0.122 32.305 32.500 -0.122 0.000 0.723 512 K HN 0.406 nan 8.250 nan 0.000 0.446 513 N N 1.008 119.647 118.700 -0.102 0.000 2.362 513 N HA -0.015 4.725 4.740 0.000 0.000 0.211 513 N C -0.069 175.389 175.510 -0.085 0.000 1.170 513 N CA 0.109 53.111 53.050 -0.081 0.000 0.828 513 N CB 0.676 39.127 38.487 -0.059 0.000 1.034 513 N HN 0.055 nan 8.380 nan 0.000 0.475 514 S N 0.050 115.686 115.700 -0.107 0.000 2.681 514 S HA 0.460 4.930 4.470 0.000 0.000 0.299 514 S C 0.687 175.239 174.600 -0.080 0.000 1.113 514 S CA -0.599 57.531 58.200 -0.117 0.000 1.013 514 S CB 1.866 64.976 63.200 -0.151 0.000 1.076 514 S HN 0.146 nan 8.310 nan 0.000 0.534 515 R N 0.635 121.067 120.500 -0.113 0.000 2.600 515 R HA 0.231 4.571 4.340 0.000 0.000 0.392 515 R C -0.844 175.409 176.300 -0.078 0.000 1.032 515 R CA -0.102 55.928 56.100 -0.116 0.000 1.139 515 R CB 0.740 30.839 30.300 -0.336 0.000 1.400 515 R HN 0.537 nan 8.270 nan 0.000 0.566 516 Q N 0.267 120.024 119.800 -0.072 0.000 2.312 516 Q HA 0.465 4.805 4.340 0.000 0.000 0.263 516 Q C -0.983 175.020 176.000 0.004 0.000 0.995 516 Q CA -0.353 55.399 55.803 -0.086 0.000 0.853 516 Q CB 2.239 30.804 28.738 -0.287 0.000 1.300 516 Q HN -0.041 nan 8.270 nan 0.000 0.448 517 I N 0.842 121.456 120.570 0.074 0.000 3.002 517 I HA 0.838 5.008 4.170 0.000 0.000 0.310 517 I C -1.277 174.882 176.117 0.071 0.000 1.087 517 I CA -0.765 60.599 61.300 0.108 0.000 1.017 517 I CB 2.438 40.588 38.000 0.250 0.000 1.226 517 I HN 0.688 nan 8.210 nan 0.000 0.443 518 A N 4.545 127.430 122.820 0.108 0.000 2.579 518 A HA 0.603 4.923 4.320 0.000 0.000 0.288 518 A C -1.667 175.942 177.584 0.041 0.000 1.079 518 A CA -0.481 51.545 52.037 -0.017 0.000 0.889 518 A CB 0.040 19.011 19.000 -0.049 0.000 1.439 518 A HN 0.576 nan 8.150 nan 0.000 0.399 519 Y N 0.190 120.488 120.300 -0.003 0.000 2.587 519 Y HA 0.877 5.427 4.550 0.000 0.000 0.337 519 Y C -0.810 175.004 175.900 -0.143 0.000 1.065 519 Y CA -2.057 55.916 58.100 -0.212 0.000 1.126 519 Y CB 1.434 39.573 38.460 -0.535 0.000 1.279 519 Y HN 0.561 nan 8.280 nan 0.000 0.489 520 L N 2.834 124.072 121.223 0.025 0.000 2.386 520 L HA 0.665 5.005 4.340 0.000 0.000 0.271 520 L C -1.193 175.742 176.870 0.109 0.000 0.993 520 L CA -0.860 54.014 54.840 0.057 0.000 0.819 520 L CB 1.833 43.884 42.059 -0.012 0.000 1.294 520 L HN 0.876 nan 8.230 nan 0.000 0.414 521 R N 3.944 124.558 120.500 0.189 0.000 2.686 521 R HA 0.570 4.910 4.340 0.000 0.000 0.286 521 R C -1.468 174.917 176.300 0.141 0.000 0.969 521 R CA -0.812 55.410 56.100 0.203 0.000 0.898 521 R CB 2.412 32.888 30.300 0.292 0.000 1.183 521 R HN 0.547 nan 8.270 nan 0.000 0.456 522 E N 1.606 121.875 120.200 0.116 0.000 2.352 522 E HA 0.239 4.589 4.350 0.000 0.000 0.280 522 E C -1.579 175.067 176.600 0.077 0.000 0.930 522 E CA -0.829 55.626 56.400 0.092 0.000 0.765 522 E CB 1.848 31.591 29.700 0.072 0.000 1.219 522 E HN 0.589 nan 8.360 nan 0.000 0.434 523 D N 0.059 120.502 120.400 0.072 0.000 2.668 523 D HA 0.221 4.861 4.640 0.000 0.000 0.249 523 D C -0.136 176.189 176.300 0.041 0.000 1.150 523 D CA -0.593 53.441 54.000 0.057 0.000 1.090 523 D CB 0.326 41.164 40.800 0.062 0.000 1.244 523 D HN 0.274 nan 8.370 nan 0.000 0.636 524 D N -0.885 119.533 120.400 0.031 0.000 2.870 524 D HA 0.064 4.704 4.640 0.000 0.000 0.241 524 D C -0.410 175.898 176.300 0.013 0.000 1.234 524 D CA 0.150 54.160 54.000 0.018 0.000 0.844 524 D CB -0.094 40.714 40.800 0.012 0.000 1.051 524 D HN 0.482 nan 8.370 nan 0.000 0.469 525 Q N -0.882 118.931 119.800 0.021 0.000 1.524 525 Q HA 0.198 4.538 4.340 0.000 0.000 0.143 525 Q C -1.404 174.618 176.000 0.036 0.000 0.744 525 Q CA -0.518 55.294 55.803 0.015 0.000 0.714 525 Q CB -0.287 28.457 28.738 0.011 0.000 1.220 525 Q HN -0.112 nan 8.270 nan 0.000 0.334 526 D N -0.164 120.266 120.400 0.050 0.000 2.738 526 D HA 0.448 5.088 4.640 0.000 0.000 0.229 526 D C -1.285 175.064 176.300 0.080 0.000 1.200 526 D CA -0.056 53.992 54.000 0.080 0.000 0.746 526 D CB 1.734 42.619 40.800 0.142 0.000 1.597 526 D HN 0.058 nan 8.370 nan 0.000 0.471 527 T N 2.062 116.668 114.554 0.086 0.000 3.078 527 T HA 0.453 4.803 4.350 0.000 0.000 0.328 527 T C -0.607 174.183 174.700 0.150 0.000 0.987 527 T CA -0.552 61.611 62.100 0.105 0.000 1.049 527 T CB 0.680 69.606 68.868 0.095 0.000 1.011 527 T HN 0.341 nan 8.240 nan 0.000 0.463 528 I N 4.992 125.639 120.570 0.128 0.000 2.689 528 I HA 0.634 4.804 4.170 0.000 0.000 0.299 528 I C -1.343 174.820 176.117 0.076 0.000 1.059 528 I CA -1.757 59.614 61.300 0.119 0.000 1.055 528 I CB 2.000 40.043 38.000 0.071 0.000 1.243 528 I HN 0.703 nan 8.210 nan 0.000 0.425 529 L N 7.108 128.331 121.223 0.000 0.000 2.337 529 L HA 0.569 4.909 4.340 0.000 0.000 0.269 529 L C -0.977 175.805 176.870 -0.148 0.000 1.018 529 L CA -0.724 54.070 54.840 -0.076 0.000 0.876 529 L CB 1.017 42.986 42.059 -0.151 0.000 1.236 529 L HN 0.268 nan 8.230 nan 0.000 0.436 530 V N 3.752 123.527 119.914 -0.231 0.000 2.673 530 V HA 0.120 4.240 4.120 0.000 0.000 0.303 530 V C 0.505 176.314 176.094 -0.474 0.000 1.046 530 V CA 0.079 62.173 62.300 -0.344 0.000 1.126 530 V CB 1.344 32.885 31.823 -0.470 0.000 0.934 530 V HN 0.620 nan 8.190 nan 0.000 0.487 531 V N 6.677 126.455 119.914 -0.228 0.000 2.482 531 V HA 0.558 4.678 4.120 0.000 0.000 0.295 531 V C -0.153 175.905 176.094 -0.060 0.000 1.026 531 V CA -0.366 61.834 62.300 -0.167 0.000 0.856 531 V CB 1.442 33.174 31.823 -0.152 0.000 1.001 531 V HN 0.863 nan 8.190 nan 0.000 0.424 532 M N 3.975 123.586 119.600 0.020 0.000 2.691 532 M HA 0.675 5.155 4.480 0.000 0.000 0.293 532 M C -1.089 175.261 176.300 0.084 0.000 1.259 532 M CA -0.740 54.627 55.300 0.113 0.000 0.827 532 M CB 2.911 35.688 32.600 0.295 0.000 1.753 532 M HN 0.822 nan 8.290 nan 0.000 0.465 533 N N -0.895 117.816 118.700 0.018 0.000 2.718 533 N HA 0.261 5.001 4.740 0.000 0.000 0.260 533 N C -1.365 173.913 175.510 -0.386 0.000 1.089 533 N CA -0.617 52.354 53.050 -0.133 0.000 1.021 533 N CB 0.517 38.908 38.487 -0.159 0.000 1.618 533 N HN 0.541 nan 8.380 nan 0.000 0.554 534 N N 0.574 118.911 118.700 -0.606 0.000 2.244 534 N HA -0.084 4.656 4.740 0.000 0.000 0.183 534 N C -0.487 174.258 175.510 -1.276 0.000 1.016 534 N CA 0.613 53.087 53.050 -0.959 0.000 0.866 534 N CB -0.140 37.780 38.487 -0.945 0.000 0.980 534 N HN 0.715 nan 8.380 nan 0.000 0.430 535 D N 0.599 120.575 120.400 -0.707 0.000 2.795 535 D HA -0.149 4.491 4.640 0.000 0.000 0.221 535 D C 0.736 176.735 176.300 -0.501 0.000 1.108 535 D CA 0.657 54.387 54.000 -0.450 0.000 0.832 535 D CB 0.507 41.204 40.800 -0.171 0.000 1.183 535 D HN 0.083 nan 8.370 nan 0.000 0.503 536 K N 2.000 122.340 120.400 -0.101 0.000 2.525 536 K HA 0.116 4.436 4.320 0.000 0.000 0.192 536 K C 0.193 176.910 176.600 0.196 0.000 1.029 536 K CA 0.479 56.958 56.287 0.321 0.000 1.029 536 K CB 0.146 32.825 32.500 0.299 0.000 0.814 536 K HN 0.358 nan 8.250 nan 0.000 0.503 537 A N 0.161 123.035 122.820 0.089 0.000 2.663 537 A HA 0.439 4.759 4.320 0.000 0.000 0.273 537 A C 0.548 178.179 177.584 0.079 0.000 0.932 537 A CA -0.023 52.059 52.037 0.076 0.000 1.055 537 A CB -0.008 19.009 19.000 0.028 0.000 1.206 537 A HN 0.396 nan 8.150 nan 0.000 0.485 538 G N 0.071 108.931 108.800 0.100 0.000 2.582 538 G HA2 -0.211 3.749 3.960 0.000 0.000 0.288 538 G HA3 -0.211 3.749 3.960 0.000 0.000 0.288 538 G C 0.399 175.394 174.900 0.159 0.000 1.247 538 G CA 1.521 46.686 45.100 0.108 0.000 0.972 538 G HN 1.451 nan 8.290 nan 0.000 0.557 539 H N -2.719 116.331 119.070 -0.034 0.000 1.847 539 H HA 0.227 4.783 4.556 0.000 0.000 0.115 539 H C 0.365 175.655 175.328 -0.064 0.000 1.293 539 H CA 1.670 57.687 56.048 -0.052 0.000 0.492 539 H CB -0.073 29.645 29.762 -0.074 0.000 0.349 539 H HN 1.584 nan 8.280 nan 0.000 0.206 540 T N 1.171 115.760 114.554 0.059 0.000 3.947 540 T HA -0.062 4.288 4.350 0.000 0.000 0.374 540 T C -0.794 173.899 174.700 -0.011 0.000 0.760 540 T CA 0.416 62.492 62.100 -0.040 0.000 2.039 540 T CB -1.559 67.281 68.868 -0.047 0.000 1.806 540 T HN 0.344 nan 8.240 nan 0.000 0.893 541 L N 1.381 122.581 121.223 -0.038 0.000 2.485 541 L HA 0.341 4.681 4.340 0.000 0.000 0.275 541 L C 0.936 177.776 176.870 -0.050 0.000 1.207 541 L CA 0.495 55.309 54.840 -0.045 0.000 0.855 541 L CB 0.362 42.373 42.059 -0.080 0.000 1.114 541 L HN 0.428 nan 8.230 nan 0.000 0.485 542 T N 4.386 118.918 114.554 -0.037 0.000 3.150 542 T HA 0.452 4.802 4.350 0.000 0.000 0.383 542 T C -0.279 174.399 174.700 -0.037 0.000 1.313 542 T CA -0.525 61.555 62.100 -0.034 0.000 1.235 542 T CB 0.126 68.983 68.868 -0.018 0.000 1.088 542 T HN 0.362 nan 8.240 nan 0.000 0.556 543 L N 0.742 121.934 121.223 -0.052 0.000 2.334 543 L HA 0.809 5.149 4.340 0.000 0.000 0.275 543 L C -2.956 173.881 176.870 -0.056 0.000 1.036 543 L CA -2.979 51.828 54.840 -0.055 0.000 0.807 543 L CB 0.620 42.636 42.059 -0.072 0.000 1.231 543 L HN 0.058 nan 8.230 nan 0.000 0.438 544 P HA 0.180 nan 4.420 nan 0.000 0.268 544 P C -0.557 176.691 177.300 -0.086 0.000 1.205 544 P CA -0.149 62.923 63.100 -0.047 0.000 0.771 544 P CB 1.294 32.975 31.700 -0.032 0.000 0.858 545 V N 0.737 120.572 119.914 -0.131 0.000 3.112 545 V HA 0.672 4.792 4.120 0.000 0.000 0.310 545 V C -0.730 175.143 176.094 -0.367 0.000 1.364 545 V CA -1.162 61.032 62.300 -0.177 0.000 1.058 545 V CB 1.976 33.715 31.823 -0.140 0.000 1.079 545 V HN 0.155 nan 8.190 nan 0.000 0.463 546 R N 0.464 120.792 120.500 -0.287 0.000 2.528 546 R HA 0.574 4.914 4.340 0.000 0.000 0.271 546 R C 0.576 176.588 176.300 -0.481 0.000 1.056 546 R CA -0.401 55.474 56.100 -0.374 0.000 1.117 546 R CB 0.071 30.311 30.300 -0.101 0.000 1.085 546 R HN 0.977 nan 8.270 nan 0.000 0.530 547 H N -0.043 119.038 119.070 0.019 0.000 2.426 547 H HA 0.183 4.739 4.556 0.000 0.000 0.286 547 H C 1.606 177.035 175.328 0.169 0.000 0.990 547 H CA 0.921 57.000 56.048 0.052 0.000 1.237 547 H CB -0.140 29.644 29.762 0.037 0.000 1.466 547 H HN 0.632 nan 8.280 nan 0.000 0.525 548 A N 1.963 124.928 122.820 0.241 0.000 1.948 548 A HA -0.198 4.122 4.320 0.000 0.000 0.220 548 A C 1.134 178.865 177.584 0.245 0.000 1.177 548 A CA 1.118 53.285 52.037 0.217 0.000 0.636 548 A CB -0.690 18.383 19.000 0.122 0.000 0.815 548 A HN 0.483 nan 8.150 nan 0.000 0.449 549 Q N -1.083 118.826 119.800 0.180 0.000 2.392 549 Q HA 0.206 4.546 4.340 0.000 0.000 0.262 549 Q C 0.595 176.818 176.000 0.371 0.000 1.003 549 Q CA -0.244 55.624 55.803 0.108 0.000 0.888 549 Q CB -0.008 28.748 28.738 0.030 0.000 1.260 549 Q HN 0.602 nan 8.270 nan 0.000 0.435 550 W N 1.303 122.554 121.300 -0.082 0.000 2.194 550 W HA -0.258 4.402 4.660 0.000 0.000 0.323 550 W C 0.431 176.564 176.519 -0.644 0.000 1.222 550 W CA 1.077 58.299 57.345 -0.204 0.000 1.136 550 W CB -0.189 29.172 29.460 -0.166 0.000 1.162 550 W HN 0.627 nan 8.180 nan 0.000 0.466 551 T N -4.280 109.977 114.554 -0.494 0.000 2.616 551 T HA 0.241 4.591 4.350 0.000 0.000 0.208 551 T C -1.197 173.132 174.700 -0.618 0.000 0.849 551 T CA -0.669 60.776 62.100 -1.092 0.000 1.360 551 T CB 1.702 70.295 68.868 -0.458 0.000 1.829 551 T HN -0.048 nan 8.240 nan 0.000 0.431 552 H N -0.515 118.551 119.070 -0.007 0.000 3.060 552 H HA 0.624 5.180 4.556 -0.000 0.000 0.330 552 H C -1.913 173.466 175.328 0.085 0.000 1.305 552 H CA -0.553 55.549 56.048 0.089 0.000 1.209 552 H CB 1.386 31.234 29.762 0.143 0.000 1.913 552 H HN 0.244 nan 8.280 nan 0.000 0.534 553 L N 0.619 121.981 121.223 0.232 0.000 2.434 553 L HA 0.301 4.641 4.340 0.000 0.000 0.260 553 L C -0.362 176.662 176.870 0.257 0.000 0.983 553 L CA -0.550 54.411 54.840 0.202 0.000 0.820 553 L CB 1.511 43.657 42.059 0.146 0.000 1.361 553 L HN 0.435 nan 8.230 nan 0.000 0.410 554 W N 1.066 122.395 121.300 0.049 0.000 2.089 554 W HA 0.407 5.067 4.660 0.000 0.000 0.362 554 W C 0.679 177.220 176.519 0.037 0.000 1.362 554 W CA 0.120 57.486 57.345 0.035 0.000 1.460 554 W CB 0.917 30.398 29.460 0.034 0.000 1.204 554 W HN 0.544 nan 8.180 nan 0.000 0.657 555 Q N 0.174 119.791 119.800 -0.305 0.000 2.404 555 Q HA 0.012 4.352 4.340 0.000 0.000 0.262 555 Q C 1.198 176.932 176.000 -0.444 0.000 0.846 555 Q CA 0.587 56.217 55.803 -0.288 0.000 0.978 555 Q CB -0.425 28.200 28.738 -0.188 0.000 1.156 555 Q HN 0.523 nan 8.270 nan 0.000 0.548 556 D N 1.773 121.642 120.400 -0.885 0.000 2.411 556 D HA -0.038 4.602 4.640 0.000 0.000 0.226 556 D C -0.610 175.421 176.300 -0.448 0.000 0.988 556 D CA 1.014 54.599 54.000 -0.691 0.000 0.938 556 D CB 0.051 40.284 40.800 -0.945 0.000 0.883 556 D HN 0.106 nan 8.370 nan 0.000 0.525 557 D N -1.449 118.753 120.400 -0.331 0.000 2.130 557 D HA -0.062 4.578 4.640 0.000 0.000 0.134 557 D C -1.059 175.261 176.300 0.034 0.000 1.051 557 D CA -0.276 53.673 54.000 -0.085 0.000 1.052 557 D CB 0.306 41.104 40.800 -0.004 0.000 3.248 557 D HN -0.269 nan 8.370 nan 0.000 0.561 558 V N 3.319 123.255 119.914 0.038 0.000 2.584 558 V HA 0.203 4.323 4.120 0.000 0.000 0.303 558 V C 0.538 176.702 176.094 0.117 0.000 1.035 558 V CA 0.435 62.784 62.300 0.082 0.000 1.172 558 V CB 0.301 32.159 31.823 0.058 0.000 0.896 558 V HN 0.531 nan 8.190 nan 0.000 0.486 559 L N 4.618 125.931 121.223 0.149 0.000 2.333 559 L HA 0.536 4.876 4.340 0.000 0.000 0.263 559 L C 1.316 178.248 176.870 0.104 0.000 1.014 559 L CA 0.481 55.403 54.840 0.137 0.000 0.820 559 L CB 2.253 44.419 42.059 0.178 0.000 1.352 559 L HN 0.801 nan 8.230 nan 0.000 0.421 560 T N 0.054 114.655 114.554 0.078 0.000 2.674 560 T HA -0.076 4.274 4.350 0.000 0.000 0.265 560 T C 1.150 175.886 174.700 0.060 0.000 1.039 560 T CA 0.638 62.771 62.100 0.056 0.000 1.150 560 T CB -0.740 68.153 68.868 0.042 0.000 0.864 560 T HN 1.330 nan 8.240 nan 0.000 0.427 561 A N 1.986 124.847 122.820 0.068 0.000 2.120 561 A HA 0.123 4.443 4.320 0.000 0.000 0.266 561 A C 0.826 178.466 177.584 0.093 0.000 1.315 561 A CA 0.471 52.553 52.037 0.076 0.000 0.783 561 A CB -2.218 16.834 19.000 0.087 0.000 1.083 561 A HN 1.509 nan 8.150 nan 0.000 0.344 562 A N 0.025 122.886 122.820 0.068 0.000 2.498 562 A HA 0.377 4.697 4.320 0.000 0.000 0.239 562 A C 1.014 178.696 177.584 0.163 0.000 1.068 562 A CA 0.749 52.826 52.037 0.066 0.000 0.766 562 A CB -0.105 18.916 19.000 0.035 0.000 1.003 562 A HN 0.827 nan 8.150 nan 0.000 0.497 563 H N 1.614 120.737 119.070 0.088 0.000 3.199 563 H HA -0.010 4.546 4.556 -0.000 0.000 0.301 563 H C 1.922 177.300 175.328 0.083 0.000 1.003 563 H CA 1.071 57.186 56.048 0.112 0.000 1.011 563 H CB -0.084 29.757 29.762 0.133 0.000 1.610 563 H HN 1.252 nan 8.280 nan 0.000 0.910 564 G N -0.236 108.697 108.800 0.222 0.000 2.543 564 G HA2 -0.507 3.453 3.960 0.000 0.000 0.286 564 G HA3 -0.507 3.453 3.960 0.000 0.000 0.286 564 G C 0.698 175.646 174.900 0.081 0.000 1.153 564 G CA 1.359 46.526 45.100 0.111 0.000 0.968 564 G HN 0.718 nan 8.290 nan 0.000 0.544 565 Q N -1.194 118.639 119.800 0.055 0.000 2.748 565 Q HA -0.222 4.118 4.340 0.000 0.000 0.481 565 Q C 1.699 177.718 176.000 0.031 0.000 0.492 565 Q CA 4.192 60.016 55.803 0.035 0.000 1.018 565 Q CB -0.756 28.003 28.738 0.035 0.000 1.624 565 Q HN 1.441 nan 8.270 nan 0.000 1.119 566 L N -4.695 116.561 121.223 0.055 0.000 3.488 566 L HA 0.007 4.347 4.340 0.000 0.000 0.396 566 L C -0.102 176.848 176.870 0.134 0.000 1.003 566 L CA 0.611 55.520 54.840 0.115 0.000 1.799 566 L CB 0.225 42.308 42.059 0.041 0.000 2.581 566 L HN 0.644 nan 8.230 nan 0.000 0.537 567 T N -1.305 113.278 114.554 0.049 0.000 3.483 567 T HA 0.438 4.788 4.350 0.000 0.000 0.258 567 T C 0.219 174.912 174.700 -0.013 0.000 1.013 567 T CA -0.357 61.750 62.100 0.012 0.000 1.078 567 T CB 0.381 69.254 68.868 0.008 0.000 1.111 567 T HN -0.093 nan 8.240 nan 0.000 0.538 568 V N 1.560 121.467 119.914 -0.012 0.000 4.901 568 V HA -0.221 3.899 4.120 0.000 0.000 0.392 568 V C 0.769 176.849 176.094 -0.024 0.000 1.006 568 V CA 0.829 63.124 62.300 -0.008 0.000 1.541 568 V CB -0.849 30.954 31.823 -0.034 0.000 1.687 568 V HN 0.792 nan 8.190 nan 0.000 0.464 569 K N 5.642 126.034 120.400 -0.013 0.000 2.205 569 K HA 0.659 4.979 4.320 0.000 0.000 0.279 569 K C -0.601 175.965 176.600 -0.057 0.000 1.027 569 K CA -0.708 55.561 56.287 -0.031 0.000 0.932 569 K CB 0.708 33.196 32.500 -0.019 0.000 1.032 569 K HN 0.631 nan 8.250 nan 0.000 0.466 570 L N 6.579 127.748 121.223 -0.089 0.000 2.491 570 L HA 0.294 4.634 4.340 0.000 0.000 0.267 570 L C -2.176 174.574 176.870 -0.199 0.000 0.971 570 L CA -1.844 52.909 54.840 -0.145 0.000 0.857 570 L CB 2.244 44.211 42.059 -0.154 0.000 1.226 570 L HN 0.512 nan 8.230 nan 0.000 0.408 571 P HA 0.012 nan 4.420 nan 0.000 0.258 571 P C 0.424 177.285 177.300 -0.731 0.000 1.403 571 P CA -0.035 62.797 63.100 -0.445 0.000 0.826 571 P CB 0.183 31.599 31.700 -0.472 0.000 1.414 572 A N -0.090 122.434 122.820 -0.494 0.000 2.567 572 A HA -0.111 4.209 4.320 0.000 0.000 0.263 572 A C 0.046 177.425 177.584 -0.341 0.000 1.030 572 A CA 0.516 52.290 52.037 -0.438 0.000 0.833 572 A CB -0.940 17.900 19.000 -0.266 0.000 0.924 572 A HN 0.147 nan 8.150 nan 0.000 0.518 573 Y N 1.848 122.098 120.300 -0.083 0.000 2.414 573 Y HA 0.374 4.924 4.550 -0.000 0.000 0.421 573 Y C 1.802 177.708 175.900 0.009 0.000 1.365 573 Y CA -0.133 57.947 58.100 -0.033 0.000 1.949 573 Y CB -0.310 38.131 38.460 -0.032 0.000 1.747 573 Y HN 0.766 nan 8.280 nan 0.000 0.649 574 G N -0.087 108.870 108.800 0.260 0.000 2.138 574 G HA2 0.030 3.990 3.960 0.000 0.000 0.263 574 G HA3 0.030 3.990 3.960 0.000 0.000 0.263 574 G C -0.586 174.516 174.900 0.336 0.000 1.103 574 G CA -0.174 45.074 45.100 0.246 0.000 1.014 574 G HN 0.594 nan 8.290 nan 0.000 0.418 575 F N -1.024 118.933 119.950 0.010 0.000 3.067 575 F HA -0.233 4.294 4.527 -0.000 0.000 0.279 575 F C 1.597 177.398 175.800 0.002 0.000 0.945 575 F CA 0.518 58.514 58.000 -0.006 0.000 0.948 575 F CB -1.689 37.298 39.000 -0.022 0.000 0.898 575 F HN 0.849 nan 8.300 nan 0.000 0.746 576 A N 0.113 122.991 122.820 0.097 0.000 2.287 576 A HA 0.722 5.042 4.320 0.000 0.000 0.273 576 A C 1.000 178.596 177.584 0.020 0.000 1.091 576 A CA 0.111 52.168 52.037 0.034 0.000 0.817 576 A CB 1.095 20.056 19.000 -0.065 0.000 1.069 576 A HN 1.088 nan 8.150 nan 0.000 0.492 577 V N -1.040 118.889 119.914 0.025 0.000 3.398 577 V HA 0.275 4.395 4.120 0.000 0.000 0.298 577 V C 0.303 176.412 176.094 0.024 0.000 1.496 577 V CA -0.121 62.241 62.300 0.103 0.000 1.044 577 V CB -1.304 30.677 31.823 0.262 0.000 0.880 577 V HN 0.603 nan 8.190 nan 0.000 0.443 578 L N 2.948 123.966 121.223 -0.342 0.000 2.841 578 L HA 0.044 4.384 4.340 0.000 0.000 0.282 578 L C 0.868 177.462 176.870 -0.459 0.000 1.130 578 L CA 0.485 54.706 54.840 -1.031 0.000 0.996 578 L CB -0.954 40.381 42.059 -1.207 0.000 1.364 578 L HN 0.499 nan 8.230 nan 0.000 0.466 579 K N 3.934 124.268 120.400 -0.110 0.000 2.385 579 K HA 0.970 5.290 4.320 0.000 0.000 0.274 579 K C -0.266 176.375 176.600 0.069 0.000 0.981 579 K CA -0.376 55.924 56.287 0.022 0.000 1.400 579 K CB 0.425 32.995 32.500 0.118 0.000 2.019 579 K HN 0.535 nan 8.250 nan 0.000 0.855 580 A N -0.587 122.295 122.820 0.104 0.000 2.571 580 A HA 0.522 4.842 4.320 0.000 0.000 0.296 580 A C -1.556 176.138 177.584 0.184 0.000 1.005 580 A CA -0.347 51.777 52.037 0.145 0.000 0.682 580 A CB 0.529 19.574 19.000 0.075 0.000 1.292 580 A HN 1.081 nan 8.150 nan 0.000 0.420 581 S N 0.811 116.682 115.700 0.284 0.000 2.647 581 S HA 0.636 5.106 4.470 0.000 0.000 0.300 581 S C 0.018 174.781 174.600 0.271 0.000 1.129 581 S CA 0.277 58.648 58.200 0.285 0.000 1.029 581 S CB 1.118 64.385 63.200 0.111 0.000 1.007 581 S HN 2.242 nan 8.310 nan 0.000 0.484 582 S N 2.434 118.260 115.700 0.209 0.000 2.998 582 S HA 0.033 4.503 4.470 0.000 0.000 0.348 582 S C 0.019 174.527 174.600 -0.153 0.000 1.210 582 S CA -0.123 57.854 58.200 -0.372 0.000 1.118 582 S CB -0.415 62.671 63.200 -0.191 0.000 0.832 582 S HN 0.861 nan 8.310 nan 0.000 0.516 583 D N 0.000 120.310 120.400 -0.150 0.000 6.856 583 D HA 0.000 4.640 4.640 0.000 0.000 0.175 583 D CA 0.000 54.004 54.000 0.006 0.000 0.868 583 D CB 0.000 40.842 40.800 0.070 0.000 0.688 583 D HN 0.000 nan 8.370 nan 0.000 0.683