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 3icr_1_A DATA FIRST_RESID 0 DATA SEQUENCE WGSRKIVVVG GVAGGASVAA RLRRLSEEDE IIXVERGEYI SFANCGLPYY DATA SEQUENCE IGGVITERQK LLVQTVERXS KRFNLDIRVL SEVVKINKEE KTITIKNVTT DATA SEQUENCE NETYNEAYDV LILSPGAKPI VPSIPGIEEA KALFTLRNVP DTDRIKAYID DATA SEQUENCE EKKPRHATVI GGGFIGVEXV ENLRERGIEV TLVEXANQVX PPIDYEXAAY DATA SEQUENCE VHEHXKNHDV ELVFEDGVDA LEENGAVVRL KSGSVIQTDX LILAIGVQPE DATA SEQUENCE SSLAKGAGLA LGVRGTIKVN EKFQTSDPHI YAIGDAIEVK DFVTETETXI DATA SEQUENCE PLAWPANRQG RXLADIIHGH TDSLYKGTLG TSVAKVFDLT VATTGLNEKI DATA SEQUENCE LKRLNIPYEV VHVQANSHAG YYPNATPVLI KLIFNKDSGK IYGAQTLGRD DATA SEQUENCE GVDKRXDVIA TAIKANLTVL DLPDLELSYA PPYSSAKDPV NXVGYAASNI DATA SEQUENCE VDGFVDTVQW HEIDRIVENG GYLIDVREPN ELKQGXIKGS INIPLDELRD DATA SEQUENCE RLEEVPVDKD IYITCQLGXR GYVAARXLXE KGYKVKNVDG GFKLYGTVLP DATA SEQUENCE ERIVY 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 0 W HA 0.000 nan 4.660 nan 0.000 0.303 0 W C 0.000 176.542 176.519 0.039 0.000 1.175 0 W CA 0.000 57.374 57.345 0.048 0.000 1.226 0 W CB 0.000 nan 29.460 nan 0.000 1.126 1 G N 2.506 111.318 108.800 0.019 0.000 2.353 1 G HA2 0.618 4.578 3.960 -0.000 0.000 0.284 1 G HA3 0.618 4.578 3.960 -0.000 0.000 0.284 1 G C 0.535 175.444 174.900 0.015 0.000 1.172 1 G CA 0.441 45.551 45.100 0.015 0.000 0.854 1 G HN 2.101 nan 8.290 nan 0.000 0.485 2 S N 2.262 117.976 115.700 0.025 0.000 2.568 2 S HA 0.475 4.945 4.470 -0.000 0.000 0.282 2 S C 0.397 175.006 174.600 0.016 0.000 1.338 2 S CA -0.390 57.828 58.200 0.030 0.000 1.045 2 S CB 0.870 64.091 63.200 0.035 0.000 0.873 2 S HN 0.899 nan 8.310 nan 0.000 0.516 3 R N 1.013 121.523 120.500 0.017 0.000 2.855 3 R HA 0.516 4.856 4.340 -0.000 0.000 0.266 3 R C -1.342 174.977 176.300 0.031 0.000 1.034 3 R CA -1.179 54.930 56.100 0.015 0.000 0.944 3 R CB 1.193 31.495 30.300 0.004 0.000 1.219 3 R HN 0.704 nan 8.270 nan 0.000 0.474 4 K N 1.899 122.323 120.400 0.041 0.000 2.267 4 K HA 0.359 4.679 4.320 -0.000 0.000 0.282 4 K C -0.883 175.767 176.600 0.084 0.000 1.078 4 K CA -0.366 55.957 56.287 0.059 0.000 0.903 4 K CB 0.560 33.096 32.500 0.061 0.000 1.111 4 K HN 0.507 nan 8.250 nan 0.000 0.475 5 I N 5.056 125.666 120.570 0.067 0.000 2.389 5 I HA 0.232 4.402 4.170 -0.000 0.000 0.288 5 I C -0.735 175.408 176.117 0.043 0.000 0.999 5 I CA -1.199 60.134 61.300 0.055 0.000 1.129 5 I CB 1.925 39.939 38.000 0.023 0.000 1.288 5 I HN 0.253 nan 8.210 nan 0.000 0.444 6 V N 7.203 127.135 119.914 0.030 0.000 2.417 6 V HA 0.409 4.529 4.120 -0.000 0.000 0.291 6 V C -0.069 175.996 176.094 -0.049 0.000 1.024 6 V CA -0.689 61.612 62.300 0.002 0.000 0.861 6 V CB 2.036 33.870 31.823 0.019 0.000 0.985 6 V HN 0.392 nan 8.190 nan 0.000 0.436 7 V N 5.472 125.364 119.914 -0.037 0.000 2.384 7 V HA 0.422 4.542 4.120 -0.000 0.000 0.287 7 V C -0.155 175.911 176.094 -0.047 0.000 1.020 7 V CA -0.647 61.621 62.300 -0.052 0.000 0.850 7 V CB 1.903 33.695 31.823 -0.052 0.000 0.987 7 V HN 0.612 nan 8.190 nan 0.000 0.436 8 V N 4.187 124.066 119.914 -0.058 0.000 2.333 8 V HA 0.862 4.981 4.120 -0.000 0.000 0.274 8 V C 0.643 176.713 176.094 -0.040 0.000 1.028 8 V CA 0.325 62.597 62.300 -0.047 0.000 0.851 8 V CB 0.562 32.351 31.823 -0.057 0.000 1.000 8 V HN 1.316 nan 8.190 nan 0.000 0.456 9 G N 3.653 112.439 108.800 -0.024 0.000 3.067 9 G HA2 0.216 4.176 3.960 -0.000 0.000 0.686 9 G HA3 0.216 4.176 3.960 -0.000 0.000 0.686 9 G C 0.136 175.021 174.900 -0.024 0.000 1.119 9 G CA -0.421 44.669 45.100 -0.017 0.000 0.790 9 G HN 1.270 nan 8.290 nan 0.000 0.605 10 G N 0.173 108.972 108.800 -0.002 0.000 3.899 10 G HA2 0.620 4.580 3.960 -0.000 0.000 0.293 10 G HA3 0.620 4.580 3.960 -0.000 0.000 0.293 10 G C 0.749 175.630 174.900 -0.031 0.000 1.054 10 G CA 0.935 46.031 45.100 -0.006 0.000 0.846 10 G HN 1.162 nan 8.290 nan 0.000 0.525 11 V N 0.275 120.137 119.914 -0.086 0.000 6.997 11 V HA 0.575 4.695 4.120 -0.000 0.000 0.226 11 V C 2.410 178.393 176.094 -0.185 0.000 1.640 11 V CA 0.562 62.751 62.300 -0.185 0.000 0.738 11 V CB -0.256 31.354 31.823 -0.355 0.000 1.794 11 V HN 0.132 nan 8.190 nan 0.000 0.334 12 A N 0.450 123.143 122.820 -0.211 0.000 1.858 12 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 12 A C 2.139 179.614 177.584 -0.182 0.000 1.190 12 A CA 2.389 54.314 52.037 -0.187 0.000 0.617 12 A CB -1.477 17.420 19.000 -0.172 0.000 0.827 12 A HN 0.886 nan 8.150 nan 0.000 0.443 13 G N -1.071 107.623 108.800 -0.177 0.000 2.394 13 G HA2 0.136 4.096 3.960 -0.000 0.000 0.214 13 G HA3 0.136 4.096 3.960 -0.000 0.000 0.214 13 G C 1.531 176.322 174.900 -0.181 0.000 1.176 13 G CA 1.192 46.172 45.100 -0.200 0.000 0.786 13 G HN 0.717 nan 8.290 nan 0.000 0.533 14 G N 1.082 109.796 108.800 -0.145 0.000 2.421 14 G HA2 0.069 4.029 3.960 -0.000 0.000 0.216 14 G HA3 0.069 4.029 3.960 -0.000 0.000 0.216 14 G C 2.038 176.863 174.900 -0.124 0.000 1.171 14 G CA 1.559 46.587 45.100 -0.121 0.000 0.775 14 G HN 0.624 nan 8.290 nan 0.000 0.543 15 A N 1.154 123.899 122.820 -0.125 0.000 1.929 15 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 15 A C 2.735 180.212 177.584 -0.179 0.000 1.176 15 A CA 2.371 54.330 52.037 -0.130 0.000 0.628 15 A CB -0.666 18.271 19.000 -0.104 0.000 0.816 15 A HN 0.706 nan 8.150 nan 0.000 0.444 16 S N -0.534 115.055 115.700 -0.185 0.000 2.368 16 S HA -0.122 4.348 4.470 -0.000 0.000 0.224 16 S C 1.851 176.323 174.600 -0.213 0.000 1.029 16 S CA 1.369 59.444 58.200 -0.208 0.000 0.988 16 S CB -0.918 62.155 63.200 -0.213 0.000 0.838 16 S HN 0.465 nan 8.310 nan 0.000 0.462 17 V N 1.985 121.780 119.914 -0.198 0.000 2.358 17 V HA 0.042 4.162 4.120 -0.000 0.000 0.246 17 V C 2.868 178.864 176.094 -0.163 0.000 1.047 17 V CA 1.726 63.919 62.300 -0.178 0.000 1.035 17 V CB -1.068 30.648 31.823 -0.178 0.000 0.658 17 V HN 0.636 nan 8.190 nan 0.000 0.452 18 A N -0.173 122.549 122.820 -0.163 0.000 1.902 18 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 18 A C 2.409 179.849 177.584 -0.239 0.000 1.181 18 A CA 2.106 54.054 52.037 -0.148 0.000 0.623 18 A CB -0.955 17.978 19.000 -0.112 0.000 0.818 18 A HN 0.775 nan 8.150 nan 0.000 0.443 19 A N -0.178 122.409 122.820 -0.388 0.000 1.877 19 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 19 A C 2.201 179.481 177.584 -0.507 0.000 1.186 19 A CA 2.106 53.688 52.037 -0.759 0.000 0.620 19 A CB -0.415 18.066 19.000 -0.864 0.000 0.822 19 A HN 0.465 nan 8.150 nan 0.000 0.443 20 R N -0.012 120.305 120.500 -0.305 0.000 2.090 20 R HA 0.090 4.430 4.340 -0.000 0.000 0.228 20 R C 1.839 178.055 176.300 -0.140 0.000 1.110 20 R CA 1.245 57.230 56.100 -0.192 0.000 0.973 20 R CB -0.855 29.354 30.300 -0.151 0.000 0.869 20 R HN 0.498 nan 8.270 nan 0.000 0.440 21 L N 0.159 121.314 121.223 -0.113 0.000 2.042 21 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 21 L C 2.560 179.411 176.870 -0.032 0.000 1.076 21 L CA 1.755 56.574 54.840 -0.035 0.000 0.749 21 L CB -0.414 41.648 42.059 0.005 0.000 0.893 21 L HN 0.181 nan 8.230 nan 0.000 0.432 22 R N 0.583 121.059 120.500 -0.039 0.000 2.092 22 R HA -0.106 4.234 4.340 -0.000 0.000 0.231 22 R C 2.255 178.577 176.300 0.037 0.000 1.119 22 R CA 1.422 57.544 56.100 0.037 0.000 0.970 22 R CB -0.306 30.074 30.300 0.134 0.000 0.864 22 R HN 0.202 nan 8.270 nan 0.000 0.440 23 R N -0.157 120.345 120.500 0.002 0.000 2.193 23 R HA -0.032 4.308 4.340 -0.000 0.000 0.229 23 R C 1.873 178.135 176.300 -0.064 0.000 1.110 23 R CA 1.255 57.357 56.100 0.004 0.000 0.988 23 R CB -0.217 30.080 30.300 -0.006 0.000 0.871 23 R HN 0.276 nan 8.270 nan 0.000 0.458 24 L N -0.746 120.388 121.223 -0.149 0.000 2.477 24 L HA 0.093 4.433 4.340 -0.000 0.000 0.220 24 L C 0.638 177.371 176.870 -0.230 0.000 1.106 24 L CA 0.134 54.802 54.840 -0.287 0.000 0.851 24 L CB 0.436 42.108 42.059 -0.645 0.000 0.994 24 L HN -0.055 nan 8.230 nan 0.000 0.462 25 S N -1.122 114.524 115.700 -0.090 0.000 2.592 25 S HA 0.209 4.679 4.470 -0.000 0.000 0.275 25 S C 0.275 174.901 174.600 0.043 0.000 1.169 25 S CA -0.602 57.610 58.200 0.019 0.000 0.958 25 S CB 1.295 64.575 63.200 0.134 0.000 1.095 25 S HN 0.003 nan 8.310 nan 0.000 0.471 26 E N 2.411 122.636 120.200 0.042 0.000 2.299 26 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 26 E C 1.208 177.836 176.600 0.046 0.000 0.998 26 E CA 0.644 57.069 56.400 0.043 0.000 0.851 26 E CB 0.261 29.979 29.700 0.031 0.000 0.795 26 E HN 0.769 nan 8.360 nan 0.000 0.492 27 E N 0.815 121.046 120.200 0.052 0.000 2.276 27 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 27 E C -0.161 176.470 176.600 0.052 0.000 0.983 27 E CA 0.104 56.532 56.400 0.047 0.000 0.861 27 E CB 0.245 29.971 29.700 0.045 0.000 0.817 27 E HN -0.007 nan 8.360 nan 0.000 0.485 28 D N 1.599 122.041 120.400 0.069 0.000 2.472 28 D HA -0.047 4.593 4.640 -0.000 0.000 0.237 28 D C -0.234 176.099 176.300 0.055 0.000 1.141 28 D CA 0.413 54.453 54.000 0.067 0.000 0.875 28 D CB 0.661 41.517 40.800 0.093 0.000 1.192 28 D HN 0.181 nan 8.370 nan 0.000 0.450 29 E N 1.743 121.972 120.200 0.048 0.000 2.194 29 E HA 0.312 4.662 4.350 -0.000 0.000 0.284 29 E C -0.689 175.940 176.600 0.048 0.000 1.035 29 E CA -0.438 55.989 56.400 0.045 0.000 0.836 29 E CB 0.444 30.169 29.700 0.041 0.000 1.070 29 E HN 0.330 nan 8.360 nan 0.000 0.401 30 I N 6.563 127.161 120.570 0.047 0.000 2.410 30 I HA 0.362 4.532 4.170 -0.000 0.000 0.286 30 I C -0.197 175.944 176.117 0.040 0.000 1.009 30 I CA -0.438 60.886 61.300 0.040 0.000 1.111 30 I CB 1.171 39.192 38.000 0.035 0.000 1.262 30 I HN 0.476 nan 8.210 nan 0.000 0.443 34 E N 4.074 124.286 120.200 0.020 0.000 2.263 34 E HA 0.522 4.872 4.350 -0.000 0.000 0.268 34 E C 0.744 177.357 176.600 0.021 0.000 0.884 34 E CA -0.706 55.711 56.400 0.029 0.000 0.766 34 E CB 1.854 31.584 29.700 0.049 0.000 1.196 34 E HN 0.620 nan 8.360 nan 0.000 0.416 35 R N 3.047 123.561 120.500 0.022 0.000 2.115 35 R HA 0.116 4.456 4.340 -0.000 0.000 0.226 35 R C 0.674 176.975 176.300 0.002 0.000 1.100 35 R CA 1.093 57.199 56.100 0.009 0.000 0.980 35 R CB -0.291 30.016 30.300 0.011 0.000 0.875 35 R HN 0.414 nan 8.270 nan 0.000 0.445 36 G N 0.376 109.187 108.800 0.019 0.000 2.563 36 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.283 36 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.283 36 G C 0.053 174.904 174.900 -0.083 0.000 1.309 36 G CA -0.323 44.770 45.100 -0.012 0.000 1.022 36 G HN 0.338 nan 8.290 nan 0.000 0.501 37 E N -1.730 118.334 120.200 -0.227 0.000 2.299 37 E HA 0.050 4.400 4.350 -0.000 0.000 0.193 37 E C -0.515 175.757 176.600 -0.545 0.000 0.998 37 E CA 0.282 56.389 56.400 -0.489 0.000 0.851 37 E CB 0.095 29.294 29.700 -0.834 0.000 0.795 37 E HN 0.416 nan 8.360 nan 0.000 0.492 38 Y N 0.359 120.680 120.300 0.035 0.000 2.446 38 Y HA 0.352 4.902 4.550 -0.000 0.000 0.345 38 Y C 0.206 176.211 175.900 0.177 0.000 0.984 38 Y CA -1.367 56.786 58.100 0.088 0.000 1.058 38 Y CB 1.161 39.661 38.460 0.068 0.000 1.220 38 Y HN -0.064 nan 8.280 nan 0.000 0.455 39 I N -1.495 119.254 120.570 0.299 0.000 2.676 39 I HA 0.610 4.780 4.170 -0.000 0.000 0.309 39 I C 0.296 176.525 176.117 0.187 0.000 0.990 39 I CA -1.001 60.422 61.300 0.206 0.000 1.168 39 I CB 1.634 39.700 38.000 0.109 0.000 1.343 39 I HN 0.660 nan 8.210 nan 0.000 0.482 40 S N 2.516 118.243 115.700 0.045 0.000 3.491 40 S HA -0.234 4.236 4.470 -0.000 0.000 0.371 40 S C -0.112 174.481 174.600 -0.011 0.000 0.980 40 S CA 0.982 59.153 58.200 -0.049 0.000 1.204 40 S CB -2.452 60.740 63.200 -0.014 0.000 0.915 40 S HN 0.696 nan 8.310 nan 0.000 0.482 41 F N -0.950 119.004 119.950 0.006 0.000 2.380 41 F HA 0.714 5.241 4.527 -0.000 0.000 0.325 41 F C 0.515 176.298 175.800 -0.027 0.000 1.136 41 F CA -1.018 56.961 58.000 -0.035 0.000 1.171 41 F CB 0.601 39.567 39.000 -0.056 0.000 1.230 41 F HN 0.127 nan 8.300 nan 0.000 0.554 42 A N 2.868 125.762 122.820 0.124 0.000 2.915 42 A HA 0.234 4.554 4.320 -0.000 0.000 0.292 42 A C 0.658 178.332 177.584 0.150 0.000 1.632 42 A CA -0.642 51.427 52.037 0.053 0.000 1.337 42 A CB -1.500 17.532 19.000 0.054 0.000 1.111 42 A HN 0.863 nan 8.150 nan 0.000 0.569 43 N N 1.058 119.786 118.700 0.046 0.000 2.091 43 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 43 N C 1.264 176.863 175.510 0.148 0.000 1.021 43 N CA 2.123 55.284 53.050 0.185 0.000 0.862 43 N CB -0.734 37.772 38.487 0.032 0.000 1.018 43 N HN 0.671 nan 8.380 nan 0.000 0.429 44 C N -0.208 119.151 119.300 0.099 0.000 2.432 44 C HA 0.091 4.551 4.460 -0.000 0.000 0.282 44 C C 2.609 177.716 174.990 0.195 0.000 1.388 44 C CA 0.521 59.616 59.018 0.128 0.000 1.777 44 C CB -1.542 26.266 27.740 0.113 0.000 1.882 44 C HN 0.626 nan 8.230 nan 0.000 0.520 45 G N 0.352 109.265 108.800 0.188 0.000 2.623 45 G HA2 0.035 3.995 3.960 -0.000 0.000 0.214 45 G HA3 0.035 3.995 3.960 -0.000 0.000 0.214 45 G C 1.490 176.530 174.900 0.233 0.000 1.138 45 G CA 0.092 45.342 45.100 0.250 0.000 0.794 45 G HN 0.520 nan 8.290 nan 0.000 0.535 46 L N 0.775 122.094 121.223 0.160 0.000 2.013 46 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 46 L C 0.067 176.969 176.870 0.055 0.000 1.073 46 L CA 1.390 56.307 54.840 0.128 0.000 0.753 46 L CB -1.505 40.618 42.059 0.107 0.000 0.890 46 L HN 0.141 nan 8.230 nan 0.000 0.432 47 P HA -0.185 nan 4.420 nan 0.000 0.216 47 P C 1.205 178.329 177.300 -0.293 0.000 1.150 47 P CA 1.512 64.454 63.100 -0.264 0.000 0.837 47 P CB -0.075 31.330 31.700 -0.492 0.000 0.786 48 Y N -2.849 117.469 120.300 0.030 0.000 2.314 48 Y HA -0.129 4.421 4.550 -0.000 0.000 0.293 48 Y C 2.499 178.437 175.900 0.063 0.000 1.129 48 Y CA 0.749 58.864 58.100 0.026 0.000 1.201 48 Y CB -1.370 37.107 38.460 0.028 0.000 0.999 48 Y HN -0.028 nan 8.280 nan 0.000 0.541 49 Y N 0.441 120.794 120.300 0.089 0.000 2.200 49 Y HA -0.183 4.366 4.550 -0.000 0.000 0.290 49 Y C 2.015 177.911 175.900 -0.006 0.000 1.137 49 Y CA 1.050 59.171 58.100 0.034 0.000 1.163 49 Y CB -0.649 37.818 38.460 0.012 0.000 0.988 49 Y HN 0.067 nan 8.280 nan 0.000 0.518 50 I N -0.129 120.344 120.570 -0.162 0.000 2.286 50 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 50 I C 2.482 178.479 176.117 -0.199 0.000 1.115 50 I CA 1.603 62.752 61.300 -0.250 0.000 1.392 50 I CB -0.866 37.034 38.000 -0.166 0.000 1.065 50 I HN 0.360 nan 8.210 nan 0.000 0.418 51 G N -0.316 108.413 108.800 -0.120 0.000 2.744 51 G HA2 0.124 4.084 3.960 -0.000 0.000 0.211 51 G HA3 0.124 4.084 3.960 -0.000 0.000 0.211 51 G C 1.414 176.288 174.900 -0.043 0.000 1.143 51 G CA 0.529 45.587 45.100 -0.070 0.000 0.788 51 G HN 0.593 nan 8.290 nan 0.000 0.534 52 G N -0.989 107.768 108.800 -0.071 0.000 2.155 52 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.257 52 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.257 52 G C 1.108 176.027 174.900 0.030 0.000 0.983 52 G CA 0.587 45.662 45.100 -0.043 0.000 0.676 52 G HN 0.469 nan 8.290 nan 0.000 0.528 53 V N 0.230 120.191 119.914 0.078 0.000 2.407 53 V HA 0.187 4.306 4.120 -0.000 0.000 0.245 53 V C 1.739 177.890 176.094 0.095 0.000 1.041 53 V CA 1.567 63.924 62.300 0.094 0.000 1.040 53 V CB -0.069 31.842 31.823 0.146 0.000 0.671 53 V HN 0.469 nan 8.190 nan 0.000 0.455 54 I N 1.604 122.268 120.570 0.156 0.000 2.322 54 I HA 0.085 4.255 4.170 -0.000 0.000 0.292 54 I C 1.484 177.735 176.117 0.224 0.000 1.060 54 I CA 0.132 61.533 61.300 0.169 0.000 1.309 54 I CB 1.354 39.478 38.000 0.207 0.000 1.415 54 I HN 0.273 nan 8.210 nan 0.000 0.492 55 T N 0.676 115.320 114.554 0.149 0.000 3.057 55 T HA 0.089 4.439 4.350 -0.000 0.000 0.254 55 T C 0.648 175.457 174.700 0.181 0.000 1.094 55 T CA 0.106 62.293 62.100 0.145 0.000 1.088 55 T CB 0.076 68.989 68.868 0.075 0.000 0.934 55 T HN 0.517 nan 8.240 nan 0.000 0.497 56 E N 1.174 121.452 120.200 0.130 0.000 2.102 56 E HA 0.353 4.703 4.350 -0.000 0.000 0.263 56 E C 1.061 177.619 176.600 -0.070 0.000 0.894 56 E CA -0.580 55.851 56.400 0.052 0.000 0.746 56 E CB 0.923 30.633 29.700 0.016 0.000 1.129 56 E HN 0.198 nan 8.360 nan 0.000 0.416 57 R N 2.837 123.236 120.500 -0.169 0.000 2.119 57 R HA -0.277 4.063 4.340 -0.000 0.000 0.246 57 R C 1.808 177.890 176.300 -0.363 0.000 1.146 57 R CA 2.075 57.834 56.100 -0.568 0.000 0.962 57 R CB 0.130 30.173 30.300 -0.427 0.000 0.863 57 R HN 0.430 nan 8.270 nan 0.000 0.442 58 Q N 0.756 120.441 119.800 -0.192 0.000 2.226 58 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 58 Q C 1.445 177.372 176.000 -0.121 0.000 0.975 58 Q CA 1.594 57.311 55.803 -0.143 0.000 0.866 58 Q CB 0.106 28.801 28.738 -0.072 0.000 0.915 58 Q HN 0.285 nan 8.270 nan 0.000 0.440 59 K N -0.322 120.014 120.400 -0.107 0.000 2.280 59 K HA -0.088 4.231 4.320 -0.000 0.000 0.202 59 K C 1.518 178.072 176.600 -0.077 0.000 1.047 59 K CA 0.835 57.080 56.287 -0.069 0.000 0.942 59 K CB -0.071 32.406 32.500 -0.039 0.000 0.739 59 K HN 0.320 nan 8.250 nan 0.000 0.457 60 L N 0.945 122.084 121.223 -0.139 0.000 2.465 60 L HA -0.021 4.319 4.340 -0.000 0.000 0.224 60 L C 0.626 177.460 176.870 -0.061 0.000 1.145 60 L CA 0.271 55.047 54.840 -0.107 0.000 0.834 60 L CB -0.150 41.788 42.059 -0.203 0.000 0.944 60 L HN 0.084 nan 8.230 nan 0.000 0.451 61 L N 0.099 121.269 121.223 -0.087 0.000 2.268 61 L HA 0.137 4.477 4.340 -0.000 0.000 0.289 61 L C 1.165 178.034 176.870 -0.001 0.000 1.064 61 L CA -0.486 54.333 54.840 -0.037 0.000 0.824 61 L CB 1.404 43.426 42.059 -0.062 0.000 1.202 61 L HN -0.122 nan 8.230 nan 0.000 0.433 62 V N 1.667 121.591 119.914 0.017 0.000 2.453 62 V HA -0.070 4.050 4.120 -0.000 0.000 0.247 62 V C 0.823 176.932 176.094 0.025 0.000 1.048 62 V CA 1.254 63.560 62.300 0.010 0.000 1.049 62 V CB -0.392 31.427 31.823 -0.007 0.000 0.672 62 V HN 0.752 nan 8.190 nan 0.000 0.457 63 Q N 0.080 119.905 119.800 0.043 0.000 2.359 63 Q HA 0.423 4.763 4.340 -0.000 0.000 0.274 63 Q C -0.481 175.566 176.000 0.079 0.000 1.074 63 Q CA -0.196 55.644 55.803 0.062 0.000 0.810 63 Q CB 2.317 31.098 28.738 0.072 0.000 1.342 63 Q HN 0.478 nan 8.270 nan 0.000 0.427 64 T N -2.754 111.846 114.554 0.076 0.000 2.928 64 T HA 0.373 4.723 4.350 -0.000 0.000 0.284 64 T C 1.368 176.120 174.700 0.087 0.000 1.008 64 T CA -0.620 61.535 62.100 0.092 0.000 1.057 64 T CB 1.002 69.914 68.868 0.073 0.000 1.018 64 T HN 0.234 nan 8.240 nan 0.000 0.493 65 V N 1.419 121.388 119.914 0.091 0.000 2.282 65 V HA -0.176 3.944 4.120 -0.000 0.000 0.249 65 V C 2.790 178.917 176.094 0.055 0.000 1.057 65 V CA 2.450 64.792 62.300 0.070 0.000 1.032 65 V CB -1.009 30.847 31.823 0.054 0.000 0.645 65 V HN 1.088 nan 8.190 nan 0.000 0.447 66 E N 0.093 120.320 120.200 0.046 0.000 2.023 66 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 66 E C 1.561 178.177 176.600 0.026 0.000 1.003 66 E CA 0.838 57.256 56.400 0.031 0.000 0.809 66 E CB 0.058 29.773 29.700 0.025 0.000 0.755 66 E HN 0.553 nan 8.360 nan 0.000 0.449 70 K N 2.301 122.706 120.400 0.009 0.000 2.031 70 K HA 0.254 4.573 4.320 -0.000 0.000 0.205 70 K C 2.279 178.825 176.600 -0.090 0.000 1.049 70 K CA 1.593 57.863 56.287 -0.029 0.000 0.939 70 K CB -0.376 32.104 32.500 -0.034 0.000 0.717 70 K HN 0.409 nan 8.250 nan 0.000 0.438 71 R N -1.088 119.314 120.500 -0.163 0.000 2.083 71 R HA -0.090 4.250 4.340 -0.000 0.000 0.237 71 R C 0.823 176.795 176.300 -0.546 0.000 1.137 71 R CA 1.784 57.631 56.100 -0.422 0.000 0.951 71 R CB -0.147 29.778 30.300 -0.624 0.000 0.851 71 R HN 0.199 nan 8.270 nan 0.000 0.434 72 F N 0.401 120.347 119.950 -0.006 0.000 2.647 72 F HA 0.254 4.781 4.527 -0.000 0.000 0.300 72 F C 0.243 176.042 175.800 -0.003 0.000 1.106 72 F CA -0.556 57.440 58.000 -0.007 0.000 1.313 72 F CB -0.071 38.922 39.000 -0.011 0.000 1.007 72 F HN 0.063 nan 8.300 nan 0.000 0.536 73 N N 1.567 120.323 118.700 0.092 0.000 2.705 73 N HA -0.204 4.536 4.740 -0.000 0.000 0.255 73 N C -1.294 174.266 175.510 0.084 0.000 1.008 73 N CA 0.256 53.346 53.050 0.066 0.000 0.742 73 N CB -0.990 37.526 38.487 0.049 0.000 0.906 73 N HN 0.027 nan 8.380 nan 0.000 0.541 74 L N 0.728 122.009 121.223 0.096 0.000 2.317 74 L HA 0.365 4.705 4.340 -0.000 0.000 0.281 74 L C 0.333 177.237 176.870 0.058 0.000 1.024 74 L CA -0.520 54.368 54.840 0.081 0.000 0.810 74 L CB 1.456 43.573 42.059 0.096 0.000 1.240 74 L HN 0.164 nan 8.230 nan 0.000 0.427 75 D N 4.394 124.823 120.400 0.048 0.000 2.453 75 D HA 0.206 4.846 4.640 -0.000 0.000 0.223 75 D C -0.393 175.934 176.300 0.045 0.000 1.183 75 D CA -0.009 54.017 54.000 0.042 0.000 0.933 75 D CB 0.001 40.825 40.800 0.040 0.000 1.038 75 D HN 0.310 nan 8.370 nan 0.000 0.513 76 I N 3.819 124.416 120.570 0.044 0.000 2.336 76 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 76 I C 0.617 176.758 176.117 0.041 0.000 0.991 76 I CA -0.695 60.631 61.300 0.043 0.000 1.227 76 I CB 1.226 39.254 38.000 0.047 0.000 1.366 76 I HN -0.006 nan 8.210 nan 0.000 0.466 77 R N 5.999 126.525 120.500 0.045 0.000 2.415 77 R HA 0.376 4.716 4.340 -0.000 0.000 0.292 77 R C -0.507 175.814 176.300 0.035 0.000 1.295 77 R CA -0.555 55.575 56.100 0.049 0.000 1.137 77 R CB 1.469 31.818 30.300 0.083 0.000 1.135 77 R HN 0.568 nan 8.270 nan 0.000 0.560 78 V N 0.261 120.186 119.914 0.018 0.000 3.214 78 V HA 0.329 4.449 4.120 -0.000 0.000 0.306 78 V C 1.064 177.151 176.094 -0.012 0.000 1.078 78 V CA -0.700 61.598 62.300 -0.003 0.000 1.077 78 V CB 0.509 32.312 31.823 -0.033 0.000 1.121 78 V HN 0.839 nan 8.190 nan 0.000 0.468 79 L N 0.042 121.247 121.223 -0.030 0.000 3.737 79 L HA -0.164 4.176 4.340 -0.000 0.000 0.418 79 L C 0.298 177.167 176.870 -0.002 0.000 1.216 79 L CA 0.800 55.624 54.840 -0.027 0.000 0.915 79 L CB -2.120 39.915 42.059 -0.040 0.000 1.834 79 L HN 0.908 nan 8.230 nan 0.000 0.943 80 S N -0.199 115.504 115.700 0.004 0.000 2.647 80 S HA 0.448 4.918 4.470 -0.000 0.000 0.300 80 S C -0.272 174.320 174.600 -0.013 0.000 1.129 80 S CA -0.678 57.527 58.200 0.007 0.000 1.029 80 S CB 2.578 65.800 63.200 0.037 0.000 1.007 80 S HN 0.270 nan 8.310 nan 0.000 0.484 81 E N 2.701 122.881 120.200 -0.032 0.000 2.151 81 E HA 0.401 4.751 4.350 -0.000 0.000 0.275 81 E C -0.979 175.584 176.600 -0.062 0.000 0.936 81 E CA -0.640 55.739 56.400 -0.035 0.000 0.777 81 E CB 1.056 30.740 29.700 -0.027 0.000 1.108 81 E HN 0.371 nan 8.360 nan 0.000 0.401 82 V N 5.957 125.839 119.914 -0.053 0.000 2.439 82 V HA -0.018 4.102 4.120 -0.000 0.000 0.271 82 V C 1.272 177.336 176.094 -0.050 0.000 1.040 82 V CA 0.105 62.367 62.300 -0.063 0.000 1.002 82 V CB 0.730 32.522 31.823 -0.051 0.000 1.000 82 V HN 0.693 nan 8.190 nan 0.000 0.477 83 V N 1.968 121.847 119.914 -0.058 0.000 3.471 83 V HA 0.389 4.509 4.120 -0.000 0.000 0.258 83 V C 0.570 176.647 176.094 -0.027 0.000 1.192 83 V CA 0.632 62.908 62.300 -0.040 0.000 1.116 83 V CB -0.304 31.494 31.823 -0.042 0.000 0.792 83 V HN 0.766 nan 8.190 nan 0.000 0.459 84 K N 0.009 120.393 120.400 -0.026 0.000 2.572 84 K HA 0.560 4.880 4.320 -0.000 0.000 0.263 84 K C -1.821 174.783 176.600 0.006 0.000 0.932 84 K CA -0.777 55.504 56.287 -0.009 0.000 0.838 84 K CB 2.507 35.003 32.500 -0.006 0.000 1.366 84 K HN 0.242 nan 8.250 nan 0.000 0.425 85 I N 2.937 123.519 120.570 0.020 0.000 2.392 85 I HA 0.281 4.451 4.170 -0.000 0.000 0.295 85 I C -0.310 175.852 176.117 0.074 0.000 0.985 85 I CA -0.895 60.439 61.300 0.057 0.000 1.221 85 I CB 1.437 39.463 38.000 0.044 0.000 1.366 85 I HN 0.409 nan 8.210 nan 0.000 0.467 86 N N 6.585 125.353 118.700 0.113 0.000 2.898 86 N HA 0.115 4.855 4.740 -0.000 0.000 0.245 86 N C 0.547 176.119 175.510 0.103 0.000 1.185 86 N CA -0.408 52.690 53.050 0.080 0.000 0.879 86 N CB 1.316 39.832 38.487 0.049 0.000 1.157 86 N HN 0.661 nan 8.380 nan 0.000 0.503 87 K N 0.872 121.340 120.400 0.113 0.000 2.155 87 K HA -0.071 4.249 4.320 -0.000 0.000 0.203 87 K C 1.089 177.744 176.600 0.091 0.000 1.052 87 K CA 1.041 57.424 56.287 0.160 0.000 0.948 87 K CB 0.182 32.768 32.500 0.143 0.000 0.728 87 K HN 0.186 nan 8.250 nan 0.000 0.448 88 E N 1.612 121.840 120.200 0.047 0.000 2.299 88 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 88 E C 1.599 178.184 176.600 -0.025 0.000 0.998 88 E CA 0.977 57.389 56.400 0.020 0.000 0.851 88 E CB -0.016 29.695 29.700 0.018 0.000 0.795 88 E HN 0.658 nan 8.360 nan 0.000 0.492 89 E N 1.694 121.872 120.200 -0.037 0.000 2.299 89 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 89 E C -0.114 176.381 176.600 -0.174 0.000 0.998 89 E CA 0.175 56.530 56.400 -0.075 0.000 0.851 89 E CB -0.032 29.643 29.700 -0.041 0.000 0.795 89 E HN 0.015 nan 8.360 nan 0.000 0.492 90 K N 0.976 121.227 120.400 -0.248 0.000 3.096 90 K HA -0.166 4.154 4.320 -0.000 0.000 0.266 90 K C -0.832 175.313 176.600 -0.758 0.000 1.043 90 K CA 0.872 56.725 56.287 -0.723 0.000 0.758 90 K CB -2.104 29.945 32.500 -0.752 0.000 1.260 90 K HN 0.394 nan 8.250 nan 0.000 0.481 91 T N -2.219 112.214 114.554 -0.201 0.000 2.901 91 T HA 0.798 5.148 4.350 -0.000 0.000 0.293 91 T C 0.044 174.897 174.700 0.256 0.000 1.084 91 T CA -1.115 61.014 62.100 0.048 0.000 1.008 91 T CB 2.119 70.997 68.868 0.017 0.000 1.170 91 T HN 0.310 nan 8.240 nan 0.000 0.509 92 I N -1.314 119.390 120.570 0.223 0.000 2.797 92 I HA 0.759 4.929 4.170 -0.000 0.000 0.307 92 I C -0.732 175.394 176.117 0.015 0.000 1.033 92 I CA -0.972 60.396 61.300 0.113 0.000 1.071 92 I CB 2.395 40.437 38.000 0.069 0.000 1.255 92 I HN 0.559 nan 8.210 nan 0.000 0.445 93 T N 5.708 120.242 114.554 -0.033 0.000 2.749 93 T HA 0.619 4.969 4.350 -0.000 0.000 0.287 93 T C -0.173 174.418 174.700 -0.181 0.000 0.970 93 T CA -0.160 61.878 62.100 -0.103 0.000 0.980 93 T CB 0.742 69.573 68.868 -0.062 0.000 0.924 93 T HN 0.368 nan 8.240 nan 0.000 0.456 94 I N 2.929 123.275 120.570 -0.375 0.000 2.474 94 I HA 0.448 4.617 4.170 -0.000 0.000 0.294 94 I C 0.128 175.995 176.117 -0.416 0.000 1.005 94 I CA -0.900 60.133 61.300 -0.445 0.000 1.113 94 I CB 1.904 39.483 38.000 -0.701 0.000 1.289 94 I HN 0.327 nan 8.210 nan 0.000 0.436 95 K N 5.608 125.885 120.400 -0.205 0.000 2.265 95 K HA 0.251 4.571 4.320 -0.000 0.000 0.267 95 K C -0.548 176.029 176.600 -0.038 0.000 0.994 95 K CA -0.633 55.594 56.287 -0.101 0.000 0.860 95 K CB 1.011 33.478 32.500 -0.056 0.000 1.099 95 K HN 0.520 nan 8.250 nan 0.000 0.448 96 N N 4.276 122.996 118.700 0.034 0.000 2.416 96 N HA -0.009 4.731 4.740 -0.000 0.000 0.265 96 N C 0.775 176.303 175.510 0.030 0.000 1.195 96 N CA 0.066 53.156 53.050 0.066 0.000 0.943 96 N CB 1.127 39.687 38.487 0.121 0.000 1.115 96 N HN 0.409 nan 8.380 nan 0.000 0.481 97 V N 3.401 123.323 119.914 0.013 0.000 2.515 97 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 97 V C 1.996 178.092 176.094 0.004 0.000 1.058 97 V CA 1.738 64.040 62.300 0.003 0.000 1.064 97 V CB -0.574 31.245 31.823 -0.007 0.000 0.675 97 V HN 0.670 nan 8.190 nan 0.000 0.461 98 T N 0.098 114.656 114.554 0.006 0.000 2.732 98 T HA -0.150 4.200 4.350 -0.000 0.000 0.261 98 T C 1.908 176.614 174.700 0.010 0.000 1.040 98 T CA 2.070 64.173 62.100 0.004 0.000 1.145 98 T CB -0.398 68.470 68.868 0.000 0.000 0.866 98 T HN 0.696 nan 8.240 nan 0.000 0.427 99 T N -0.857 113.709 114.554 0.020 0.000 3.060 99 T HA 0.130 4.480 4.350 -0.000 0.000 0.249 99 T C 0.923 175.639 174.700 0.026 0.000 1.079 99 T CA 0.117 62.230 62.100 0.022 0.000 1.013 99 T CB -0.209 68.676 68.868 0.028 0.000 0.975 99 T HN 0.329 nan 8.240 nan 0.000 0.518 100 N N 1.943 120.659 118.700 0.027 0.000 2.778 100 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 100 N C -0.211 175.322 175.510 0.038 0.000 1.069 100 N CA 1.340 54.406 53.050 0.025 0.000 0.831 100 N CB -1.207 37.290 38.487 0.017 0.000 1.142 100 N HN 0.926 nan 8.380 nan 0.000 0.573 101 E N 0.962 121.198 120.200 0.061 0.000 2.338 101 E HA 0.319 4.669 4.350 -0.000 0.000 0.272 101 E C 0.383 177.056 176.600 0.121 0.000 1.029 101 E CA -0.122 56.334 56.400 0.093 0.000 0.872 101 E CB 0.856 30.621 29.700 0.108 0.000 1.015 101 E HN 0.255 nan 8.360 nan 0.000 0.417 102 T N 0.600 115.218 114.554 0.108 0.000 2.912 102 T HA 0.609 4.959 4.350 -0.000 0.000 0.288 102 T C -0.757 174.037 174.700 0.156 0.000 1.030 102 T CA -0.764 61.366 62.100 0.049 0.000 1.020 102 T CB 0.820 69.682 68.868 -0.010 0.000 1.056 102 T HN 0.637 nan 8.240 nan 0.000 0.480 103 Y N -0.751 119.556 120.300 0.011 0.000 2.656 103 Y HA 0.730 5.280 4.550 -0.000 0.000 0.334 103 Y C -1.382 174.529 175.900 0.018 0.000 1.179 103 Y CA -1.487 56.620 58.100 0.012 0.000 1.050 103 Y CB 0.634 39.100 38.460 0.011 0.000 1.308 103 Y HN 0.540 nan 8.280 nan 0.000 0.456 104 N N 1.268 120.071 118.700 0.170 0.000 2.443 104 N HA 0.409 5.149 4.740 -0.000 0.000 0.295 104 N C -1.451 174.181 175.510 0.204 0.000 1.076 104 N CA -0.654 52.456 53.050 0.099 0.000 0.919 104 N CB 1.751 40.280 38.487 0.069 0.000 1.176 104 N HN 0.721 nan 8.380 nan 0.000 0.487 105 E N 0.562 120.853 120.200 0.151 0.000 2.216 105 E HA 0.619 4.968 4.350 -0.000 0.000 0.260 105 E C -1.136 175.554 176.600 0.151 0.000 0.880 105 E CA -0.753 55.759 56.400 0.187 0.000 0.765 105 E CB 1.127 30.960 29.700 0.221 0.000 1.174 105 E HN 0.616 nan 8.360 nan 0.000 0.417 106 A N 3.825 126.701 122.820 0.093 0.000 2.407 106 A HA 0.498 4.817 4.320 -0.000 0.000 0.248 106 A C -0.930 176.710 177.584 0.092 0.000 1.082 106 A CA -0.035 52.010 52.037 0.013 0.000 0.785 106 A CB -0.047 18.931 19.000 -0.036 0.000 1.020 106 A HN 0.663 nan 8.150 nan 0.000 0.489 107 Y N -1.456 118.844 120.300 0.001 0.000 2.553 107 Y HA 0.632 5.182 4.550 -0.000 0.000 0.347 107 Y C -0.271 175.613 175.900 -0.027 0.000 1.019 107 Y CA -1.187 56.914 58.100 0.001 0.000 1.032 107 Y CB 1.338 39.809 38.460 0.019 0.000 1.284 107 Y HN 0.489 nan 8.280 nan 0.000 0.466 108 D N 1.159 121.656 120.400 0.161 0.000 2.323 108 D HA 0.129 4.769 4.640 -0.000 0.000 0.218 108 D C -0.326 176.131 176.300 0.262 0.000 0.973 108 D CA 0.939 54.987 54.000 0.079 0.000 0.890 108 D CB 1.089 41.909 40.800 0.033 0.000 1.011 108 D HN 0.287 nan 8.370 nan 0.000 0.499 109 V N 1.875 121.979 119.914 0.317 0.000 2.531 109 V HA 0.319 4.438 4.120 -0.000 0.000 0.301 109 V C -0.863 175.306 176.094 0.124 0.000 1.034 109 V CA -0.905 61.565 62.300 0.284 0.000 0.865 109 V CB 2.667 34.584 31.823 0.157 0.000 0.995 109 V HN -0.064 nan 8.190 nan 0.000 0.424 110 L N 6.351 127.532 121.223 -0.070 0.000 2.313 110 L HA 0.700 5.040 4.340 -0.000 0.000 0.283 110 L C -0.719 176.100 176.870 -0.085 0.000 1.013 110 L CA 0.046 54.665 54.840 -0.367 0.000 0.816 110 L CB 1.345 42.808 42.059 -0.993 0.000 1.236 110 L HN 0.564 nan 8.230 nan 0.000 0.419 111 I N 6.043 126.564 120.570 -0.081 0.000 2.389 111 I HA 0.357 4.527 4.170 -0.000 0.000 0.288 111 I C -0.858 175.222 176.117 -0.062 0.000 0.999 111 I CA -0.469 60.815 61.300 -0.027 0.000 1.129 111 I CB 1.560 39.529 38.000 -0.052 0.000 1.288 111 I HN 0.402 nan 8.210 nan 0.000 0.444 112 L N 5.494 126.690 121.223 -0.045 0.000 2.262 112 L HA 0.408 4.748 4.340 -0.000 0.000 0.288 112 L C 0.324 177.155 176.870 -0.064 0.000 1.035 112 L CA -0.110 54.697 54.840 -0.055 0.000 0.820 112 L CB 1.405 43.437 42.059 -0.045 0.000 1.204 112 L HN 0.547 nan 8.230 nan 0.000 0.424 113 S N 4.128 119.786 115.700 -0.071 0.000 2.204 113 S HA 0.349 4.819 4.470 -0.000 0.000 0.178 113 S C -1.579 172.986 174.600 -0.058 0.000 1.493 113 S CA -0.889 57.262 58.200 -0.082 0.000 1.266 113 S CB 0.438 63.570 63.200 -0.114 0.000 1.232 113 S HN 0.465 nan 8.310 nan 0.000 0.406 114 P HA 0.275 nan 4.420 nan 0.000 0.249 114 P C 1.098 178.392 177.300 -0.009 0.000 1.229 114 P CA 0.655 63.743 63.100 -0.020 0.000 0.788 114 P CB -0.110 31.580 31.700 -0.017 0.000 1.072 115 G N 0.722 109.509 108.800 -0.022 0.000 2.528 115 G HA2 0.036 3.996 3.960 -0.000 0.000 0.262 115 G HA3 0.036 3.996 3.960 -0.000 0.000 0.262 115 G C -0.527 174.374 174.900 0.002 0.000 1.200 115 G CA -0.147 44.946 45.100 -0.013 0.000 0.951 115 G HN 0.624 nan 8.290 nan 0.000 0.566 116 A N -0.368 122.461 122.820 0.015 0.000 2.520 116 A HA 0.800 5.120 4.320 -0.000 0.000 0.298 116 A C -0.245 177.359 177.584 0.033 0.000 1.051 116 A CA 0.572 52.622 52.037 0.020 0.000 0.690 116 A CB 1.486 20.497 19.000 0.018 0.000 1.281 116 A HN 1.573 nan 8.150 nan 0.000 0.402 117 K N 1.975 122.393 120.400 0.030 0.000 2.156 117 K HA 0.745 5.065 4.320 -0.000 0.000 0.250 117 K C -2.816 173.804 176.600 0.034 0.000 0.955 117 K CA -1.976 54.333 56.287 0.035 0.000 0.855 117 K CB 1.730 34.247 32.500 0.029 0.000 1.101 117 K HN 0.335 nan 8.250 nan 0.000 0.434 118 P HA 0.015 nan 4.420 nan 0.000 0.265 118 P C -0.375 176.941 177.300 0.027 0.000 1.193 118 P CA 0.131 63.252 63.100 0.035 0.000 0.765 118 P CB 0.350 32.073 31.700 0.039 0.000 0.823 119 I N 2.912 123.498 120.570 0.027 0.000 2.452 119 I HA 0.044 4.214 4.170 -0.000 0.000 0.287 119 I C 0.333 176.460 176.117 0.018 0.000 1.079 119 I CA -0.148 61.165 61.300 0.022 0.000 1.387 119 I CB 0.470 38.484 38.000 0.023 0.000 1.404 119 I HN 0.017 nan 8.210 nan 0.000 0.522 120 V N 8.830 128.752 119.914 0.012 0.000 2.334 120 V HA 0.312 4.432 4.120 -0.000 0.000 0.281 120 V C -1.717 174.379 176.094 0.003 0.000 1.016 120 V CA -1.427 60.877 62.300 0.006 0.000 0.832 120 V CB 0.931 32.755 31.823 0.001 0.000 0.999 120 V HN 0.643 nan 8.190 nan 0.000 0.439 121 P HA 0.208 nan 4.420 nan 0.000 0.277 121 P C -0.189 177.110 177.300 -0.002 0.000 1.240 121 P CA -0.316 62.786 63.100 0.003 0.000 0.798 121 P CB 1.108 32.811 31.700 0.006 0.000 0.979 122 S N 1.839 117.539 115.700 -0.001 0.000 3.036 122 S HA 0.300 4.770 4.470 -0.000 0.000 0.301 122 S C 0.131 174.728 174.600 -0.004 0.000 1.205 122 S CA -0.577 57.620 58.200 -0.004 0.000 0.999 122 S CB -1.580 61.619 63.200 -0.002 0.000 1.337 122 S HN 0.231 nan 8.310 nan 0.000 0.515 123 I N 6.380 126.945 120.570 -0.008 0.000 2.359 123 I HA 0.363 4.533 4.170 -0.000 0.000 0.294 123 I C -1.955 174.155 176.117 -0.011 0.000 0.987 123 I CA -2.714 58.582 61.300 -0.008 0.000 1.225 123 I CB 1.697 39.691 38.000 -0.009 0.000 1.366 123 I HN 0.335 nan 8.210 nan 0.000 0.466 124 P HA 0.051 nan 4.420 nan 0.000 0.263 124 P C 0.748 178.039 177.300 -0.015 0.000 1.195 124 P CA 0.616 63.710 63.100 -0.011 0.000 0.762 124 P CB 0.780 32.475 31.700 -0.008 0.000 0.799 125 G N 3.364 112.153 108.800 -0.018 0.000 2.213 125 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.236 125 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.236 125 G C 0.854 175.734 174.900 -0.033 0.000 0.991 125 G CA 0.155 45.242 45.100 -0.023 0.000 0.629 125 G HN 0.525 nan 8.290 nan 0.000 0.517 126 I N 0.899 121.449 120.570 -0.034 0.000 2.264 126 I HA -0.078 4.092 4.170 -0.000 0.000 0.248 126 I C 2.477 178.560 176.117 -0.056 0.000 1.111 126 I CA 2.470 63.742 61.300 -0.046 0.000 1.382 126 I CB 0.026 38.003 38.000 -0.037 0.000 1.060 126 I HN 0.363 nan 8.210 nan 0.000 0.418 127 E N 0.639 120.813 120.200 -0.043 0.000 2.077 127 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 127 E C 1.800 178.369 176.600 -0.051 0.000 0.989 127 E CA 1.512 57.886 56.400 -0.044 0.000 0.800 127 E CB -0.020 29.662 29.700 -0.030 0.000 0.746 127 E HN 0.535 nan 8.360 nan 0.000 0.452 128 E N 0.022 120.195 120.200 -0.046 0.000 2.478 128 E HA 0.148 4.497 4.350 -0.000 0.000 0.194 128 E C -0.107 176.457 176.600 -0.061 0.000 1.045 128 E CA 0.371 56.745 56.400 -0.045 0.000 0.868 128 E CB 0.485 30.167 29.700 -0.030 0.000 0.885 128 E HN 0.138 nan 8.360 nan 0.000 0.505 129 A N 1.748 124.519 122.820 -0.082 0.000 2.545 129 A HA 0.020 4.340 4.320 -0.000 0.000 0.297 129 A C 0.710 178.189 177.584 -0.174 0.000 1.340 129 A CA -0.083 51.887 52.037 -0.111 0.000 1.016 129 A CB -0.073 18.858 19.000 -0.115 0.000 1.122 129 A HN 0.112 nan 8.150 nan 0.000 0.537 130 K N 2.288 122.602 120.400 -0.144 0.000 2.097 130 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 130 K C 1.163 177.558 176.600 -0.342 0.000 1.049 130 K CA 1.657 57.847 56.287 -0.161 0.000 0.933 130 K CB 0.020 32.492 32.500 -0.047 0.000 0.717 130 K HN 0.659 nan 8.250 nan 0.000 0.442 131 A N 1.584 124.166 122.820 -0.397 0.000 2.827 131 A HA 0.191 4.511 4.320 -0.000 0.000 0.300 131 A C -0.283 176.855 177.584 -0.743 0.000 1.237 131 A CA -0.474 51.140 52.037 -0.705 0.000 0.964 131 A CB 0.156 18.841 19.000 -0.525 0.000 1.143 131 A HN 0.113 nan 8.150 nan 0.000 0.554 132 L N 0.310 121.052 121.223 -0.801 0.000 2.309 132 L HA 0.789 5.129 4.340 -0.000 0.000 0.282 132 L C -1.764 174.617 176.870 -0.816 0.000 1.036 132 L CA -0.181 54.336 54.840 -0.539 0.000 0.806 132 L CB 0.792 42.674 42.059 -0.295 0.000 1.220 132 L HN 0.291 nan 8.230 nan 0.000 0.429 133 F N 1.644 121.537 119.950 -0.095 0.000 2.581 133 F HA 0.477 5.004 4.527 -0.000 0.000 0.311 133 F C 0.475 176.249 175.800 -0.043 0.000 1.113 133 F CA -0.641 57.316 58.000 -0.072 0.000 0.935 133 F CB 2.309 41.259 39.000 -0.083 0.000 1.232 133 F HN 0.530 nan 8.300 nan 0.000 0.445 134 T N 0.119 114.762 114.554 0.149 0.000 2.944 134 T HA 0.748 5.098 4.350 -0.000 0.000 0.284 134 T C -1.294 173.467 174.700 0.100 0.000 1.010 134 T CA -0.774 61.384 62.100 0.097 0.000 1.025 134 T CB 1.956 70.860 68.868 0.059 0.000 1.079 134 T HN 0.480 nan 8.240 nan 0.000 0.516 135 L N 1.307 122.572 121.223 0.070 0.000 2.377 135 L HA 0.612 4.951 4.340 -0.000 0.000 0.270 135 L C 0.571 177.481 176.870 0.067 0.000 0.991 135 L CA -0.358 54.517 54.840 0.057 0.000 0.851 135 L CB 1.281 43.361 42.059 0.035 0.000 1.218 135 L HN 0.929 nan 8.230 nan 0.000 0.420 136 R N 2.521 123.064 120.500 0.073 0.000 2.622 136 R HA 0.286 4.626 4.340 -0.000 0.000 0.180 136 R C -0.188 176.195 176.300 0.139 0.000 0.813 136 R CA 0.311 56.476 56.100 0.109 0.000 1.049 136 R CB 0.489 30.848 30.300 0.100 0.000 1.438 136 R HN 0.756 nan 8.270 nan 0.000 0.636 137 N N -1.196 117.514 118.700 0.018 0.000 2.890 137 N HA 0.127 4.867 4.740 -0.000 0.000 0.317 137 N C 0.791 176.130 175.510 -0.285 0.000 1.355 137 N CA -0.543 52.374 53.050 -0.222 0.000 0.803 137 N CB 0.494 38.853 38.487 -0.212 0.000 1.465 137 N HN -0.172 nan 8.380 nan 0.000 0.591 138 V N -0.136 119.467 119.914 -0.519 0.000 2.261 138 V HA -0.072 4.047 4.120 -0.000 0.000 0.246 138 V C -0.968 175.065 176.094 -0.102 0.000 1.047 138 V CA 1.910 64.022 62.300 -0.312 0.000 1.015 138 V CB -1.680 29.882 31.823 -0.436 0.000 0.642 138 V HN 0.615 nan 8.190 nan 0.000 0.446 139 P HA -0.145 nan 4.420 nan 0.000 0.216 139 P C 1.145 178.457 177.300 0.020 0.000 1.153 139 P CA 1.593 64.702 63.100 0.014 0.000 0.858 139 P CB -0.102 31.609 31.700 0.019 0.000 0.789 140 D N -1.180 119.224 120.400 0.008 0.000 2.133 140 D HA -0.129 4.511 4.640 -0.000 0.000 0.195 140 D C 1.825 178.130 176.300 0.008 0.000 0.997 140 D CA 1.629 55.650 54.000 0.036 0.000 0.840 140 D CB -1.053 39.770 40.800 0.038 0.000 0.947 140 D HN 0.200 nan 8.370 nan 0.000 0.452 141 T N 1.213 115.768 114.554 0.002 0.000 2.708 141 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 141 T C 1.380 176.102 174.700 0.038 0.000 1.037 141 T CA 1.252 63.368 62.100 0.026 0.000 1.146 141 T CB -0.306 68.618 68.868 0.093 0.000 0.865 141 T HN 0.066 nan 8.240 nan 0.000 0.435 142 D N 0.820 121.260 120.400 0.067 0.000 2.123 142 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 142 D C 2.248 178.560 176.300 0.020 0.000 0.992 142 D CA 1.010 55.057 54.000 0.077 0.000 0.833 142 D CB -0.281 40.565 40.800 0.076 0.000 0.954 142 D HN 0.305 nan 8.370 nan 0.000 0.455 143 R N 0.262 120.769 120.500 0.011 0.000 2.066 143 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 143 R C 2.528 178.725 176.300 -0.173 0.000 1.131 143 R CA 0.781 56.895 56.100 0.025 0.000 0.955 143 R CB -0.223 30.157 30.300 0.134 0.000 0.851 143 R HN 0.141 nan 8.270 nan 0.000 0.432 144 I N 0.619 120.944 120.570 -0.408 0.000 2.226 144 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 144 I C 2.524 178.428 176.117 -0.356 0.000 1.100 144 I CA 1.363 62.215 61.300 -0.746 0.000 1.374 144 I CB -0.235 37.425 38.000 -0.566 0.000 1.057 144 I HN 0.207 nan 8.210 nan 0.000 0.413 145 K N 0.937 121.208 120.400 -0.214 0.000 2.097 145 K HA -0.118 4.201 4.320 -0.000 0.000 0.205 145 K C 2.237 178.774 176.600 -0.105 0.000 1.050 145 K CA 1.231 57.412 56.287 -0.177 0.000 0.938 145 K CB -0.079 32.282 32.500 -0.230 0.000 0.718 145 K HN 0.285 nan 8.250 nan 0.000 0.442 146 A N 0.284 123.072 122.820 -0.053 0.000 1.902 146 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 146 A C 2.028 179.617 177.584 0.008 0.000 1.181 146 A CA 1.440 53.472 52.037 -0.007 0.000 0.623 146 A CB -0.858 18.163 19.000 0.036 0.000 0.818 146 A HN 0.545 nan 8.150 nan 0.000 0.443 147 Y N 0.441 120.691 120.300 -0.083 0.000 2.145 147 Y HA -0.190 4.359 4.550 -0.000 0.000 0.286 147 Y C 2.015 177.890 175.900 -0.041 0.000 1.145 147 Y CA 1.893 59.979 58.100 -0.023 0.000 1.148 147 Y CB -0.231 38.245 38.460 0.028 0.000 0.981 147 Y HN 0.278 nan 8.280 nan 0.000 0.507 148 I N 0.134 120.710 120.570 0.010 0.000 2.142 148 I HA -0.334 3.836 4.170 -0.000 0.000 0.240 148 I C 1.936 177.988 176.117 -0.110 0.000 1.078 148 I CA 1.706 62.976 61.300 -0.049 0.000 1.343 148 I CB -0.502 37.469 38.000 -0.048 0.000 1.046 148 I HN 0.205 nan 8.210 nan 0.000 0.405 149 D N 0.714 121.056 120.400 -0.097 0.000 2.117 149 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 149 D C 2.116 178.359 176.300 -0.096 0.000 0.987 149 D CA 1.409 55.358 54.000 -0.085 0.000 0.829 149 D CB -0.191 40.568 40.800 -0.068 0.000 0.961 149 D HN 0.484 nan 8.370 nan 0.000 0.460 150 E N -0.243 119.884 120.200 -0.123 0.000 2.127 150 E HA 0.021 4.371 4.350 -0.000 0.000 0.191 150 E C 1.621 178.110 176.600 -0.186 0.000 0.964 150 E CA 0.466 56.792 56.400 -0.124 0.000 0.832 150 E CB 0.301 29.947 29.700 -0.090 0.000 0.790 150 E HN 0.011 nan 8.360 nan 0.000 0.465 151 K N 0.481 120.673 120.400 -0.347 0.000 2.367 151 K HA 0.096 4.416 4.320 -0.000 0.000 0.194 151 K C -0.135 176.301 176.600 -0.274 0.000 1.027 151 K CA 0.163 56.205 56.287 -0.409 0.000 1.075 151 K CB 0.600 32.598 32.500 -0.837 0.000 0.845 151 K HN -0.093 nan 8.250 nan 0.000 0.529 152 K N 1.007 121.282 120.400 -0.208 0.000 3.244 152 K HA -0.112 4.208 4.320 -0.000 0.000 0.270 152 K C -2.489 174.082 176.600 -0.049 0.000 1.016 152 K CA 0.272 56.499 56.287 -0.100 0.000 0.754 152 K CB -2.347 30.112 32.500 -0.067 0.000 1.326 152 K HN 0.300 nan 8.250 nan 0.000 0.465 153 P HA 0.066 nan 4.420 nan 0.000 0.266 153 P C 0.613 177.953 177.300 0.067 0.000 1.195 153 P CA -0.057 63.094 63.100 0.086 0.000 0.768 153 P CB 0.686 32.509 31.700 0.206 0.000 0.838 154 R N 0.329 120.882 120.500 0.089 0.000 2.225 154 R HA 0.130 4.470 4.340 -0.000 0.000 0.194 154 R C 0.837 177.213 176.300 0.127 0.000 0.957 154 R CA 0.750 56.901 56.100 0.084 0.000 1.042 154 R CB -0.448 29.895 30.300 0.072 0.000 1.004 154 R HN 0.663 nan 8.270 nan 0.000 0.509 155 H N -0.314 118.786 119.070 0.049 0.000 2.679 155 H HA 0.669 5.225 4.556 -0.000 0.000 0.360 155 H C -1.588 173.775 175.328 0.058 0.000 1.105 155 H CA -0.655 55.419 56.048 0.044 0.000 1.196 155 H CB 2.197 31.978 29.762 0.032 0.000 1.636 155 H HN 0.057 nan 8.280 nan 0.000 0.531 156 A N 3.350 125.884 122.820 -0.477 0.000 2.374 156 A HA 0.562 4.882 4.320 -0.000 0.000 0.317 156 A C -0.690 176.684 177.584 -0.351 0.000 1.094 156 A CA -0.678 51.212 52.037 -0.244 0.000 0.765 156 A CB 1.396 20.325 19.000 -0.118 0.000 1.268 156 A HN 0.646 nan 8.150 nan 0.000 0.438 157 T N 1.463 115.981 114.554 -0.060 0.000 2.779 157 T HA 0.531 4.881 4.350 -0.000 0.000 0.280 157 T C -0.566 174.131 174.700 -0.005 0.000 0.987 157 T CA -0.308 61.794 62.100 0.005 0.000 0.966 157 T CB 1.199 70.127 68.868 0.100 0.000 0.933 157 T HN 0.456 nan 8.240 nan 0.000 0.442 158 V N 4.840 124.745 119.914 -0.015 0.000 2.384 158 V HA 0.456 4.576 4.120 -0.000 0.000 0.287 158 V C -0.125 175.971 176.094 0.003 0.000 1.020 158 V CA -0.812 61.484 62.300 -0.006 0.000 0.850 158 V CB 1.203 33.016 31.823 -0.015 0.000 0.987 158 V HN 0.801 nan 8.190 nan 0.000 0.436 159 I N 4.596 125.174 120.570 0.013 0.000 2.307 159 I HA 0.718 4.888 4.170 -0.000 0.000 0.289 159 I C 0.696 176.830 176.117 0.030 0.000 1.021 159 I CA 0.014 61.325 61.300 0.018 0.000 1.224 159 I CB 1.205 39.215 38.000 0.017 0.000 1.376 159 I HN 0.868 nan 8.210 nan 0.000 0.470 160 G N 3.653 112.477 108.800 0.039 0.000 3.444 160 G HA2 0.029 3.989 3.960 -0.000 0.000 0.685 160 G HA3 0.029 3.989 3.960 -0.000 0.000 0.685 160 G C -0.006 174.937 174.900 0.071 0.000 1.145 160 G CA -0.509 44.628 45.100 0.060 0.000 0.973 160 G HN 0.981 nan 8.290 nan 0.000 0.525 161 G N 0.878 109.742 108.800 0.105 0.000 3.959 161 G HA2 0.669 4.629 3.960 -0.000 0.000 0.298 161 G HA3 0.669 4.629 3.960 -0.000 0.000 0.298 161 G C 0.932 175.925 174.900 0.156 0.000 1.211 161 G CA 0.908 46.084 45.100 0.126 0.000 1.001 161 G HN 1.307 nan 8.290 nan 0.000 0.561 162 G N -0.595 108.297 108.800 0.153 0.000 2.653 162 G HA2 0.355 4.315 3.960 -0.000 0.000 0.265 162 G HA3 0.355 4.315 3.960 -0.000 0.000 0.265 162 G C 0.778 175.832 174.900 0.258 0.000 1.237 162 G CA -0.737 44.496 45.100 0.222 0.000 0.946 162 G HN 0.160 nan 8.290 nan 0.000 0.522 163 F N -0.808 119.164 119.950 0.036 0.000 2.115 163 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 163 F C 2.438 178.239 175.800 0.001 0.000 1.092 163 F CA 1.017 59.031 58.000 0.022 0.000 1.245 163 F CB 0.062 39.077 39.000 0.025 0.000 0.995 163 F HN 0.245 nan 8.300 nan 0.000 0.481 164 I N 0.188 120.866 120.570 0.179 0.000 2.406 164 I HA -0.104 4.065 4.170 -0.000 0.000 0.249 164 I C 2.421 178.547 176.117 0.015 0.000 1.122 164 I CA 1.532 62.873 61.300 0.069 0.000 1.431 164 I CB -1.265 36.773 38.000 0.064 0.000 1.087 164 I HN 0.150 nan 8.210 nan 0.000 0.424 165 G N 0.993 109.817 108.800 0.041 0.000 2.476 165 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 165 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 165 G C 1.718 176.609 174.900 -0.015 0.000 1.164 165 G CA 1.297 46.408 45.100 0.019 0.000 0.768 165 G HN 0.351 nan 8.290 nan 0.000 0.560 166 V N 0.815 120.721 119.914 -0.013 0.000 2.332 166 V HA -0.082 4.038 4.120 -0.000 0.000 0.248 166 V C 1.724 177.728 176.094 -0.150 0.000 1.055 166 V CA 1.393 63.656 62.300 -0.061 0.000 1.038 166 V CB -0.470 31.306 31.823 -0.079 0.000 0.651 166 V HN 0.471 nan 8.190 nan 0.000 0.450 170 E N 1.240 121.247 120.200 -0.322 0.000 2.058 170 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 170 E C 1.703 178.155 176.600 -0.247 0.000 0.997 170 E CA 1.973 58.020 56.400 -0.588 0.000 0.801 170 E CB -0.040 29.129 29.700 -0.885 0.000 0.746 170 E HN 0.656 nan 8.360 nan 0.000 0.450 171 N N 0.396 118.964 118.700 -0.219 0.000 2.244 171 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 171 N C 2.120 177.579 175.510 -0.086 0.000 1.016 171 N CA 0.731 53.694 53.050 -0.144 0.000 0.866 171 N CB -0.076 38.285 38.487 -0.210 0.000 0.980 171 N HN 0.246 nan 8.380 nan 0.000 0.430 172 L N 1.027 122.201 121.223 -0.081 0.000 2.017 172 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 172 L C 2.513 179.381 176.870 -0.003 0.000 1.073 172 L CA 0.968 55.779 54.840 -0.048 0.000 0.745 172 L CB -0.322 41.703 42.059 -0.057 0.000 0.894 172 L HN 0.036 nan 8.230 nan 0.000 0.432 173 R N 0.248 120.775 120.500 0.045 0.000 2.103 173 R HA -0.242 4.098 4.340 -0.000 0.000 0.242 173 R C 2.114 178.476 176.300 0.104 0.000 1.142 173 R CA 1.645 57.814 56.100 0.116 0.000 0.960 173 R CB -0.725 29.749 30.300 0.290 0.000 0.858 173 R HN 0.341 nan 8.270 nan 0.000 0.439 174 E N 0.736 120.987 120.200 0.084 0.000 2.171 174 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 174 E C 1.575 178.196 176.600 0.034 0.000 0.997 174 E CA 1.252 57.692 56.400 0.066 0.000 0.810 174 E CB 0.031 29.754 29.700 0.038 0.000 0.738 174 E HN 0.046 nan 8.360 nan 0.000 0.467 175 R N -0.997 119.509 120.500 0.010 0.000 2.313 175 R HA 0.143 4.483 4.340 -0.000 0.000 0.199 175 R C 1.150 177.453 176.300 0.005 0.000 0.958 175 R CA 0.779 56.875 56.100 -0.007 0.000 1.047 175 R CB -0.020 30.260 30.300 -0.032 0.000 0.955 175 R HN 0.341 nan 8.270 nan 0.000 0.481 176 G N 1.258 110.071 108.800 0.023 0.000 2.132 176 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.234 176 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.234 176 G C 0.130 175.043 174.900 0.023 0.000 0.989 176 G CA -0.200 44.916 45.100 0.026 0.000 0.676 176 G HN 0.270 nan 8.290 nan 0.000 0.522 177 I N 1.456 122.036 120.570 0.016 0.000 2.365 177 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 177 I C 0.387 176.503 176.117 -0.002 0.000 1.004 177 I CA -0.894 60.409 61.300 0.006 0.000 1.311 177 I CB 0.919 38.912 38.000 -0.011 0.000 1.401 177 I HN -0.020 nan 8.210 nan 0.000 0.491 178 E N 5.621 125.825 120.200 0.007 0.000 2.384 178 E HA 0.241 4.590 4.350 -0.000 0.000 0.266 178 E C -0.648 175.853 176.600 -0.165 0.000 1.012 178 E CA -0.089 56.317 56.400 0.010 0.000 0.901 178 E CB 1.436 31.214 29.700 0.130 0.000 0.967 178 E HN 0.218 nan 8.360 nan 0.000 0.435 179 V N 2.690 122.532 119.914 -0.121 0.000 2.656 179 V HA 0.331 4.451 4.120 -0.000 0.000 0.307 179 V C -0.055 175.983 176.094 -0.093 0.000 1.051 179 V CA -0.758 61.413 62.300 -0.216 0.000 0.893 179 V CB 2.290 34.064 31.823 -0.081 0.000 0.999 179 V HN 0.598 nan 8.190 nan 0.000 0.426 180 T N 5.508 119.997 114.554 -0.107 0.000 2.797 180 T HA 0.613 4.963 4.350 -0.000 0.000 0.279 180 T C -0.722 173.966 174.700 -0.021 0.000 0.991 180 T CA -0.283 61.840 62.100 0.039 0.000 0.979 180 T CB 1.434 70.426 68.868 0.206 0.000 0.943 180 T HN 0.454 nan 8.240 nan 0.000 0.444 181 L N 4.908 126.098 121.223 -0.055 0.000 2.296 181 L HA 0.698 5.038 4.340 -0.000 0.000 0.286 181 L C -1.005 175.792 176.870 -0.121 0.000 1.023 181 L CA -0.447 54.349 54.840 -0.072 0.000 0.812 181 L CB 1.087 43.103 42.059 -0.071 0.000 1.223 181 L HN 0.428 nan 8.230 nan 0.000 0.421 182 V N 4.717 124.590 119.914 -0.068 0.000 2.384 182 V HA 0.669 4.789 4.120 -0.000 0.000 0.287 182 V C -0.167 175.914 176.094 -0.021 0.000 1.020 182 V CA -0.455 61.807 62.300 -0.063 0.000 0.850 182 V CB 1.211 33.021 31.823 -0.021 0.000 0.987 182 V HN 0.864 nan 8.190 nan 0.000 0.436 186 N N -0.068 118.680 118.700 0.079 0.000 2.268 186 N HA 0.211 4.951 4.740 -0.000 0.000 0.204 186 N C 0.012 175.317 175.510 -0.342 0.000 1.124 186 N CA 0.734 53.756 53.050 -0.047 0.000 0.838 186 N CB 0.149 38.645 38.487 0.015 0.000 0.994 186 N HN 0.833 nan 8.380 nan 0.000 0.489 187 Q N -1.580 118.127 119.800 -0.155 0.000 2.522 187 Q HA 0.491 4.830 4.340 -0.000 0.000 0.285 187 Q C -0.699 175.492 176.000 0.318 0.000 0.982 187 Q CA -1.240 54.545 55.803 -0.029 0.000 0.805 187 Q CB 1.618 30.447 28.738 0.152 0.000 1.457 187 Q HN -0.066 nan 8.270 nan 0.000 0.394 191 P HA -0.027 nan 4.420 nan 0.000 0.219 191 P C 0.662 178.029 177.300 0.112 0.000 1.146 191 P CA 0.946 64.087 63.100 0.067 0.000 0.808 191 P CB -0.004 31.662 31.700 -0.057 0.000 0.779 192 I N -4.281 116.394 120.570 0.175 0.000 2.664 192 I HA 0.419 4.589 4.170 -0.000 0.000 0.308 192 I C -0.081 176.105 176.117 0.114 0.000 0.984 192 I CA -0.999 60.380 61.300 0.132 0.000 1.213 192 I CB 1.053 39.129 38.000 0.127 0.000 1.379 192 I HN -0.365 nan 8.210 nan 0.000 0.501 193 D N 1.987 122.455 120.400 0.113 0.000 2.358 193 D HA 0.031 4.671 4.640 -0.000 0.000 0.244 193 D C 0.410 176.806 176.300 0.159 0.000 1.163 193 D CA 0.013 54.108 54.000 0.158 0.000 0.945 193 D CB 0.917 41.836 40.800 0.199 0.000 1.152 193 D HN 0.731 nan 8.370 nan 0.000 0.451 194 Y N 1.073 121.421 120.300 0.080 0.000 2.114 194 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 194 Y C 1.435 177.262 175.900 -0.121 0.000 1.165 194 Y CA 1.537 59.641 58.100 0.007 0.000 1.148 194 Y CB 0.027 38.533 38.460 0.078 0.000 0.972 194 Y HN 0.403 nan 8.280 nan 0.000 0.504 198 A N -0.276 122.135 122.820 -0.680 0.000 1.940 198 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 198 A C 1.872 179.226 177.584 -0.384 0.000 1.176 198 A CA 2.041 53.722 52.037 -0.594 0.000 0.631 198 A CB -0.867 17.748 19.000 -0.642 0.000 0.814 198 A HN 0.723 nan 8.150 nan 0.000 0.446 199 Y N -0.232 119.913 120.300 -0.259 0.000 2.163 199 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 199 Y C 2.618 178.516 175.900 -0.004 0.000 1.136 199 Y CA 1.482 59.529 58.100 -0.087 0.000 1.147 199 Y CB -0.642 37.774 38.460 -0.073 0.000 0.987 199 Y HN 0.096 nan 8.280 nan 0.000 0.509 200 V N -0.080 119.858 119.914 0.039 0.000 2.287 200 V HA -0.359 3.761 4.120 -0.000 0.000 0.248 200 V C 1.915 178.105 176.094 0.160 0.000 1.053 200 V CA 2.397 64.724 62.300 0.045 0.000 1.027 200 V CB -0.944 30.843 31.823 -0.060 0.000 0.646 200 V HN 0.553 nan 8.190 nan 0.000 0.447 201 H N -0.039 119.092 119.070 0.102 0.000 2.352 201 H HA -0.175 4.381 4.556 -0.000 0.000 0.299 201 H C 2.451 177.834 175.328 0.092 0.000 1.097 201 H CA 1.575 57.696 56.048 0.122 0.000 1.311 201 H CB 0.019 29.842 29.762 0.101 0.000 1.377 201 H HN 0.523 nan 8.280 nan 0.000 0.504 202 E N 0.360 120.656 120.200 0.161 0.000 2.058 202 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 202 E C 0.727 177.355 176.600 0.046 0.000 0.997 202 E CA 0.632 57.066 56.400 0.058 0.000 0.801 202 E CB -0.013 29.679 29.700 -0.014 0.000 0.746 202 E HN 0.538 nan 8.360 nan 0.000 0.450 206 N N 1.215 119.848 118.700 -0.111 0.000 2.453 206 N HA -0.065 4.675 4.740 -0.000 0.000 0.183 206 N C 0.601 175.865 175.510 -0.410 0.000 1.041 206 N CA 1.208 54.119 53.050 -0.231 0.000 0.900 206 N CB -0.031 38.294 38.487 -0.270 0.000 0.961 206 N HN 0.316 nan 8.380 nan 0.000 0.443 207 H N -0.559 118.294 119.070 -0.360 0.000 2.505 207 H HA 0.125 4.681 4.556 -0.000 0.000 0.289 207 H C -0.267 174.874 175.328 -0.311 0.000 1.052 207 H CA -0.223 55.530 56.048 -0.492 0.000 1.156 207 H CB 0.348 29.368 29.762 -1.238 0.000 1.507 207 H HN -0.087 nan 8.280 nan 0.000 0.548 208 D N -0.264 120.057 120.400 -0.131 0.000 2.981 208 D HA -0.163 4.477 4.640 -0.000 0.000 0.223 208 D C -0.738 175.550 176.300 -0.020 0.000 1.151 208 D CA 0.352 54.314 54.000 -0.063 0.000 0.827 208 D CB -1.224 39.548 40.800 -0.047 0.000 1.101 208 D HN 0.133 nan 8.370 nan 0.000 0.426 209 V N 0.942 120.847 119.914 -0.015 0.000 2.555 209 V HA 0.121 4.241 4.120 -0.000 0.000 0.286 209 V C 0.986 177.080 176.094 -0.000 0.000 1.044 209 V CA -0.126 62.189 62.300 0.025 0.000 1.026 209 V CB 1.538 33.412 31.823 0.087 0.000 0.981 209 V HN 0.149 nan 8.190 nan 0.000 0.480 210 E N 4.953 125.152 120.200 -0.000 0.000 2.223 210 E HA 0.365 4.715 4.350 -0.000 0.000 0.282 210 E C -1.166 175.373 176.600 -0.102 0.000 1.046 210 E CA -0.481 55.901 56.400 -0.030 0.000 0.857 210 E CB 0.692 30.397 29.700 0.008 0.000 1.055 210 E HN 0.590 nan 8.360 nan 0.000 0.409 211 L N 4.912 126.023 121.223 -0.187 0.000 2.287 211 L HA 0.404 4.743 4.340 -0.000 0.000 0.287 211 L C -0.775 175.770 176.870 -0.542 0.000 1.022 211 L CA -1.011 53.562 54.840 -0.445 0.000 0.814 211 L CB 1.635 43.358 42.059 -0.560 0.000 1.217 211 L HN 0.334 nan 8.230 nan 0.000 0.420 212 V N 3.888 123.461 119.914 -0.568 0.000 2.378 212 V HA 0.456 4.576 4.120 -0.000 0.000 0.288 212 V C -0.414 175.412 176.094 -0.448 0.000 1.016 212 V CA -0.356 61.721 62.300 -0.372 0.000 0.840 212 V CB 1.270 32.993 31.823 -0.167 0.000 0.994 212 V HN 0.372 nan 8.190 nan 0.000 0.431 213 F N 1.284 121.221 119.950 -0.021 0.000 2.523 213 F HA 0.502 5.029 4.527 -0.000 0.000 0.329 213 F C 1.064 176.870 175.800 0.011 0.000 1.061 213 F CA -1.354 56.640 58.000 -0.009 0.000 0.967 213 F CB 1.240 40.227 39.000 -0.021 0.000 1.218 213 F HN 0.606 nan 8.300 nan 0.000 0.480 214 E N 0.398 120.750 120.200 0.254 0.000 2.440 214 E HA -0.256 4.094 4.350 -0.000 0.000 0.246 214 E C -1.092 175.563 176.600 0.091 0.000 1.165 214 E CA 0.616 57.100 56.400 0.140 0.000 0.726 214 E CB -0.886 28.883 29.700 0.116 0.000 1.271 214 E HN 0.428 nan 8.360 nan 0.000 0.397 215 D N -1.548 118.900 120.400 0.078 0.000 2.570 215 D HA 0.709 5.349 4.640 -0.000 0.000 0.244 215 D C -0.157 176.166 176.300 0.038 0.000 1.178 215 D CA 0.108 54.134 54.000 0.045 0.000 0.881 215 D CB 2.058 42.873 40.800 0.026 0.000 1.453 215 D HN 0.095 nan 8.370 nan 0.000 0.447 216 G N -0.486 108.329 108.800 0.026 0.000 2.695 216 G HA2 0.465 4.424 3.960 -0.000 0.000 0.290 216 G HA3 0.465 4.424 3.960 -0.000 0.000 0.290 216 G C -1.143 173.766 174.900 0.014 0.000 1.410 216 G CA -0.487 44.627 45.100 0.023 0.000 0.844 216 G HN 0.310 nan 8.290 nan 0.000 0.478 217 V N 1.556 121.477 119.914 0.012 0.000 2.479 217 V HA 0.097 4.217 4.120 -0.000 0.000 0.281 217 V C 0.987 177.085 176.094 0.006 0.000 1.031 217 V CA 0.291 62.595 62.300 0.007 0.000 1.038 217 V CB 1.295 33.121 31.823 0.004 0.000 0.981 217 V HN 0.890 nan 8.190 nan 0.000 0.478 218 D N 3.306 123.708 120.400 0.004 0.000 2.201 218 D HA 0.175 4.815 4.640 -0.000 0.000 0.209 218 D C 0.511 176.810 176.300 -0.001 0.000 0.961 218 D CA 1.181 55.182 54.000 0.003 0.000 0.861 218 D CB 0.958 41.760 40.800 0.003 0.000 0.997 218 D HN 0.686 nan 8.370 nan 0.000 0.486 219 A N 0.069 122.887 122.820 -0.003 0.000 2.594 219 A HA 0.584 4.904 4.320 -0.000 0.000 0.295 219 A C -1.510 176.069 177.584 -0.008 0.000 1.071 219 A CA -0.594 51.440 52.037 -0.006 0.000 0.685 219 A CB 1.117 20.113 19.000 -0.006 0.000 1.285 219 A HN 0.111 nan 8.150 nan 0.000 0.405 220 L N 1.815 123.031 121.223 -0.012 0.000 2.272 220 L HA 0.500 4.840 4.340 -0.000 0.000 0.289 220 L C 0.113 176.974 176.870 -0.015 0.000 1.032 220 L CA -0.119 54.712 54.840 -0.015 0.000 0.810 220 L CB 1.428 43.472 42.059 -0.025 0.000 1.205 220 L HN 0.826 nan 8.230 nan 0.000 0.422 221 E N 2.421 122.614 120.200 -0.012 0.000 2.264 221 E HA 0.304 4.654 4.350 -0.000 0.000 0.260 221 E C -0.516 176.079 176.600 -0.009 0.000 0.961 221 E CA -0.788 55.606 56.400 -0.010 0.000 0.834 221 E CB 1.185 30.880 29.700 -0.008 0.000 1.230 221 E HN 0.392 nan 8.360 nan 0.000 0.412 222 E N 2.120 122.316 120.200 -0.007 0.000 2.360 222 E HA -0.278 4.072 4.350 -0.000 0.000 0.238 222 E C -0.794 175.804 176.600 -0.003 0.000 1.186 222 E CA 0.440 56.838 56.400 -0.003 0.000 0.719 222 E CB -1.637 28.062 29.700 -0.000 0.000 1.236 222 E HN 0.690 nan 8.360 nan 0.000 0.386 223 N N -1.835 116.859 118.700 -0.010 0.000 2.747 223 N HA -0.272 4.468 4.740 -0.000 0.000 0.249 223 N C 0.873 176.367 175.510 -0.026 0.000 1.107 223 N CA 1.974 55.013 53.050 -0.017 0.000 0.707 223 N CB -1.571 36.911 38.487 -0.008 0.000 1.054 223 N HN 0.847 nan 8.380 nan 0.000 0.555 224 G N -1.484 107.301 108.800 -0.025 0.000 2.195 224 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.246 224 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.246 224 G C 0.979 175.875 174.900 -0.006 0.000 0.984 224 G CA 0.939 46.020 45.100 -0.031 0.000 0.633 224 G HN 1.056 nan 8.290 nan 0.000 0.525 225 A N -0.744 122.080 122.820 0.006 0.000 2.119 225 A HA 0.575 4.894 4.320 -0.000 0.000 0.217 225 A C 1.067 178.658 177.584 0.012 0.000 1.153 225 A CA 1.702 53.753 52.037 0.023 0.000 0.692 225 A CB 0.251 19.266 19.000 0.026 0.000 0.799 225 A HN 1.106 nan 8.150 nan 0.000 0.458 226 V N 0.702 120.617 119.914 0.002 0.000 2.444 226 V HA 0.353 4.473 4.120 -0.000 0.000 0.294 226 V C -0.883 175.209 176.094 -0.005 0.000 1.022 226 V CA -0.573 61.724 62.300 -0.005 0.000 0.850 226 V CB 1.801 33.619 31.823 -0.008 0.000 0.992 226 V HN 0.023 nan 8.190 nan 0.000 0.426 227 V N 5.951 125.863 119.914 -0.004 0.000 2.311 227 V HA 0.456 4.576 4.120 -0.000 0.000 0.275 227 V C 0.344 176.435 176.094 -0.005 0.000 1.022 227 V CA -0.716 61.583 62.300 -0.001 0.000 0.830 227 V CB 1.209 33.038 31.823 0.010 0.000 1.012 227 V HN 0.717 nan 8.190 nan 0.000 0.452 228 R N 4.870 125.367 120.500 -0.005 0.000 2.216 228 R HA 0.497 4.837 4.340 -0.000 0.000 0.332 228 R C -0.662 175.637 176.300 -0.002 0.000 1.056 228 R CA -0.390 55.708 56.100 -0.005 0.000 0.901 228 R CB 1.040 31.337 30.300 -0.005 0.000 1.039 228 R HN 0.593 nan 8.270 nan 0.000 0.456 229 L N 3.565 124.787 121.223 -0.002 0.000 2.395 229 L HA 0.148 4.488 4.340 -0.000 0.000 0.269 229 L C 1.779 178.652 176.870 0.004 0.000 1.133 229 L CA -0.503 54.339 54.840 0.002 0.000 0.812 229 L CB 0.729 42.788 42.059 0.000 0.000 1.125 229 L HN 0.428 nan 8.230 nan 0.000 0.452 230 K N 1.023 121.428 120.400 0.008 0.000 2.059 230 K HA -0.206 4.114 4.320 -0.000 0.000 0.212 230 K C 2.086 178.692 176.600 0.010 0.000 1.050 230 K CA 1.925 58.218 56.287 0.010 0.000 0.927 230 K CB -0.438 32.071 32.500 0.015 0.000 0.714 230 K HN 0.849 nan 8.250 nan 0.000 0.447 231 S N -0.738 114.969 115.700 0.012 0.000 2.402 231 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 231 S C 1.713 176.317 174.600 0.007 0.000 1.030 231 S CA 1.729 59.936 58.200 0.012 0.000 1.003 231 S CB -0.252 62.956 63.200 0.014 0.000 0.813 231 S HN 0.534 nan 8.310 nan 0.000 0.477 232 G N -0.170 108.632 108.800 0.004 0.000 2.480 232 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.193 232 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.193 232 G C 0.211 175.110 174.900 -0.002 0.000 1.004 232 G CA -0.027 45.074 45.100 0.002 0.000 0.696 232 G HN 0.664 nan 8.290 nan 0.000 0.478 233 S N -0.404 115.294 115.700 -0.002 0.000 2.589 233 S HA 0.618 5.087 4.470 -0.000 0.000 0.265 233 S C 0.126 174.720 174.600 -0.010 0.000 1.342 233 S CA 0.106 58.302 58.200 -0.007 0.000 1.005 233 S CB 2.175 65.370 63.200 -0.008 0.000 0.909 233 S HN 0.815 nan 8.310 nan 0.000 0.555 234 V N 1.488 121.392 119.914 -0.017 0.000 2.789 234 V HA 0.507 4.627 4.120 -0.000 0.000 0.311 234 V C -0.785 175.289 176.094 -0.034 0.000 1.073 234 V CA -0.594 61.693 62.300 -0.021 0.000 0.921 234 V CB 1.770 33.581 31.823 -0.020 0.000 1.009 234 V HN 0.724 nan 8.190 nan 0.000 0.426 235 I N 3.453 124.002 120.570 -0.035 0.000 2.418 235 I HA 0.431 4.601 4.170 -0.000 0.000 0.287 235 I C -0.272 175.802 176.117 -0.071 0.000 1.008 235 I CA -0.429 60.834 61.300 -0.063 0.000 1.104 235 I CB 1.946 39.931 38.000 -0.024 0.000 1.264 235 I HN 0.561 nan 8.210 nan 0.000 0.438 236 Q N 4.074 123.799 119.800 -0.126 0.000 2.274 236 Q HA 0.526 4.866 4.340 -0.000 0.000 0.256 236 Q C -0.440 175.478 176.000 -0.136 0.000 0.927 236 Q CA -0.036 55.708 55.803 -0.099 0.000 0.939 236 Q CB 2.033 30.719 28.738 -0.088 0.000 1.201 236 Q HN 0.582 nan 8.270 nan 0.000 0.426 237 T N 1.437 115.993 114.554 0.004 0.000 2.843 237 T HA 0.304 4.654 4.350 -0.000 0.000 0.302 237 T C -1.492 173.298 174.700 0.151 0.000 1.232 237 T CA -0.724 61.472 62.100 0.160 0.000 1.009 237 T CB 1.410 70.433 68.868 0.260 0.000 1.254 237 T HN 0.455 nan 8.240 nan 0.000 0.504 241 I N 3.241 123.852 120.570 0.069 0.000 2.362 241 I HA 0.394 4.564 4.170 -0.000 0.000 0.289 241 I C -0.270 175.872 176.117 0.043 0.000 0.994 241 I CA -0.404 60.941 61.300 0.076 0.000 1.158 241 I CB 1.751 39.774 38.000 0.039 0.000 1.315 241 I HN 0.500 nan 8.210 nan 0.000 0.451 242 L N 5.846 127.096 121.223 0.045 0.000 2.278 242 L HA 0.460 4.800 4.340 -0.000 0.000 0.287 242 L C 0.435 177.327 176.870 0.036 0.000 1.072 242 L CA -0.224 54.635 54.840 0.031 0.000 0.819 242 L CB 1.277 43.349 42.059 0.021 0.000 1.176 242 L HN 0.773 nan 8.230 nan 0.000 0.435 243 A N 5.513 128.354 122.820 0.035 0.000 3.355 243 A HA 0.326 4.646 4.320 -0.000 0.000 0.290 243 A C 0.423 178.035 177.584 0.047 0.000 0.973 243 A CA -0.437 51.625 52.037 0.041 0.000 0.933 243 A CB -0.150 18.872 19.000 0.038 0.000 1.138 243 A HN 0.807 nan 8.150 nan 0.000 0.490 244 I N -2.645 117.951 120.570 0.043 0.000 3.855 244 I HA 0.583 4.753 4.170 -0.000 0.000 0.327 244 I C 0.685 176.829 176.117 0.045 0.000 1.359 244 I CA 0.267 61.594 61.300 0.045 0.000 1.142 244 I CB -0.122 37.901 38.000 0.038 0.000 1.041 244 I HN 0.588 nan 8.210 nan 0.000 0.403 245 G N 1.245 110.073 108.800 0.046 0.000 2.498 245 G HA2 0.078 4.038 3.960 -0.000 0.000 0.651 245 G HA3 0.078 4.038 3.960 -0.000 0.000 0.651 245 G C -0.772 174.151 174.900 0.037 0.000 1.284 245 G CA -0.456 44.669 45.100 0.043 0.000 0.950 245 G HN 0.858 nan 8.290 nan 0.000 0.511 246 V N -2.852 117.082 119.914 0.033 0.000 3.001 246 V HA 0.968 5.088 4.120 -0.000 0.000 0.314 246 V C -0.252 175.857 176.094 0.025 0.000 1.099 246 V CA -0.130 62.188 62.300 0.030 0.000 0.989 246 V CB 1.715 33.557 31.823 0.031 0.000 1.040 246 V HN 1.560 nan 8.190 nan 0.000 0.434 247 Q N 1.367 121.180 119.800 0.023 0.000 2.356 247 Q HA 0.678 5.018 4.340 -0.000 0.000 0.270 247 Q C -3.009 173.001 176.000 0.017 0.000 1.058 247 Q CA -2.188 53.626 55.803 0.019 0.000 0.802 247 Q CB 2.294 31.042 28.738 0.017 0.000 1.303 247 Q HN 0.555 nan 8.270 nan 0.000 0.444 248 P HA -0.033 nan 4.420 nan 0.000 0.268 248 P C -0.546 176.759 177.300 0.009 0.000 1.205 248 P CA 0.112 63.218 63.100 0.011 0.000 0.771 248 P CB 0.565 32.271 31.700 0.010 0.000 0.858 249 E N 1.348 121.552 120.200 0.006 0.000 1.852 249 E HA 0.066 4.416 4.350 -0.000 0.000 0.276 249 E C 0.397 176.997 176.600 -0.001 0.000 1.163 249 E CA 0.189 56.592 56.400 0.005 0.000 1.117 249 E CB -0.229 29.474 29.700 0.006 0.000 1.124 249 E HN 0.410 nan 8.360 nan 0.000 0.458 250 S N -0.746 114.954 115.700 0.001 0.000 2.568 250 S HA -0.038 4.432 4.470 -0.000 0.000 0.232 250 S C 1.735 176.333 174.600 -0.002 0.000 0.975 250 S CA 0.016 58.215 58.200 -0.001 0.000 0.949 250 S CB 0.202 63.403 63.200 0.001 0.000 0.829 250 S HN 0.278 nan 8.310 nan 0.000 0.479 251 S N 2.509 118.209 115.700 -0.002 0.000 2.383 251 S HA -0.049 4.421 4.470 -0.000 0.000 0.229 251 S C 1.722 176.319 174.600 -0.004 0.000 1.030 251 S CA 0.795 58.994 58.200 -0.002 0.000 1.002 251 S CB -0.894 62.306 63.200 -0.001 0.000 0.829 251 S HN 0.531 nan 8.310 nan 0.000 0.467 252 L N 1.243 122.462 121.223 -0.007 0.000 2.046 252 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 252 L C 3.221 180.087 176.870 -0.007 0.000 1.077 252 L CA 1.179 56.014 54.840 -0.009 0.000 0.747 252 L CB -0.951 41.097 42.059 -0.017 0.000 0.896 252 L HN 0.488 nan 8.230 nan 0.000 0.432 253 A N 0.174 122.990 122.820 -0.008 0.000 1.845 253 A HA -0.282 4.038 4.320 -0.000 0.000 0.215 253 A C 2.363 179.945 177.584 -0.002 0.000 1.195 253 A CA 2.081 54.115 52.037 -0.006 0.000 0.616 253 A CB -0.569 18.427 19.000 -0.007 0.000 0.832 253 A HN 0.279 nan 8.150 nan 0.000 0.443 254 K N -0.920 119.479 120.400 -0.001 0.000 2.059 254 K HA -0.182 4.138 4.320 -0.000 0.000 0.212 254 K C 1.968 178.569 176.600 0.002 0.000 1.050 254 K CA 1.596 57.883 56.287 0.000 0.000 0.927 254 K CB -0.583 31.918 32.500 0.001 0.000 0.714 254 K HN 0.449 nan 8.250 nan 0.000 0.447 255 G N -0.330 108.471 108.800 0.002 0.000 2.448 255 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 255 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 255 G C 1.265 176.170 174.900 0.008 0.000 1.127 255 G CA 0.845 45.947 45.100 0.003 0.000 0.766 255 G HN 0.428 nan 8.290 nan 0.000 0.552 256 A N -0.450 122.376 122.820 0.009 0.000 2.308 256 A HA 0.504 4.824 4.320 -0.000 0.000 0.217 256 A C 1.883 179.475 177.584 0.013 0.000 1.216 256 A CA 1.113 53.160 52.037 0.017 0.000 0.864 256 A CB -0.296 18.718 19.000 0.023 0.000 0.902 256 A HN 1.505 nan 8.150 nan 0.000 0.499 257 G N -0.337 108.467 108.800 0.007 0.000 2.198 257 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.260 257 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.260 257 G C 0.034 174.934 174.900 0.000 0.000 1.025 257 G CA 0.401 45.503 45.100 0.004 0.000 0.769 257 G HN 0.459 nan 8.290 nan 0.000 0.507 258 L N 0.118 121.340 121.223 -0.001 0.000 2.395 258 L HA 0.605 4.945 4.340 -0.000 0.000 0.269 258 L C 1.302 178.167 176.870 -0.008 0.000 1.133 258 L CA -0.339 54.496 54.840 -0.008 0.000 0.812 258 L CB 1.002 43.054 42.059 -0.010 0.000 1.125 258 L HN 0.348 nan 8.230 nan 0.000 0.452 259 A N 4.092 126.904 122.820 -0.012 0.000 2.511 259 A HA 0.442 4.762 4.320 -0.000 0.000 0.242 259 A C -0.221 177.361 177.584 -0.004 0.000 1.069 259 A CA -0.137 51.895 52.037 -0.009 0.000 0.763 259 A CB -0.021 18.972 19.000 -0.012 0.000 1.001 259 A HN 0.612 nan 8.150 nan 0.000 0.498 260 L N 2.238 123.461 121.223 -0.001 0.000 2.334 260 L HA 0.670 5.010 4.340 -0.000 0.000 0.272 260 L C 1.088 177.962 176.870 0.006 0.000 1.020 260 L CA -0.540 54.302 54.840 0.004 0.000 0.812 260 L CB 1.769 43.830 42.059 0.004 0.000 1.264 260 L HN 0.847 nan 8.230 nan 0.000 0.439 261 G N 0.115 108.922 108.800 0.011 0.000 2.857 261 G HA2 0.526 4.486 3.960 -0.000 0.000 0.217 261 G HA3 0.526 4.486 3.960 -0.000 0.000 0.217 261 G C -0.276 174.633 174.900 0.015 0.000 1.357 261 G CA -0.500 44.609 45.100 0.015 0.000 1.033 261 G HN 0.504 nan 8.290 nan 0.000 0.571 262 V N -2.036 117.889 119.914 0.018 0.000 2.694 262 V HA 0.311 4.431 4.120 -0.000 0.000 0.306 262 V C 0.919 177.024 176.094 0.017 0.000 1.054 262 V CA 0.293 62.603 62.300 0.017 0.000 1.161 262 V CB 0.168 32.002 31.823 0.019 0.000 0.916 262 V HN 0.882 nan 8.190 nan 0.000 0.490 263 R N 2.630 123.138 120.500 0.014 0.000 3.770 263 R HA -0.163 4.177 4.340 -0.000 0.000 0.305 263 R C 1.219 177.527 176.300 0.013 0.000 1.184 263 R CA 0.775 56.883 56.100 0.014 0.000 0.823 263 R CB -2.025 28.285 30.300 0.017 0.000 1.285 263 R HN 2.238 nan 8.270 nan 0.000 0.499 264 G N -0.481 108.326 108.800 0.012 0.000 2.153 264 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.252 264 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.252 264 G C 0.343 175.249 174.900 0.011 0.000 0.994 264 G CA 0.604 45.710 45.100 0.010 0.000 0.698 264 G HN 0.716 nan 8.290 nan 0.000 0.521 265 T N -1.058 113.504 114.554 0.014 0.000 2.802 265 T HA 0.565 4.915 4.350 -0.000 0.000 0.305 265 T C 0.937 175.644 174.700 0.013 0.000 1.053 265 T CA -0.385 61.724 62.100 0.015 0.000 1.058 265 T CB 1.451 70.333 68.868 0.023 0.000 0.988 265 T HN 0.492 nan 8.240 nan 0.000 0.539 266 I N 1.454 122.032 120.570 0.012 0.000 2.533 266 I HA 0.177 4.347 4.170 -0.000 0.000 0.284 266 I C 0.914 177.043 176.117 0.020 0.000 1.109 266 I CA -0.324 60.982 61.300 0.010 0.000 1.412 266 I CB 0.559 38.562 38.000 0.005 0.000 1.396 266 I HN 0.622 nan 8.210 nan 0.000 0.543 267 K N 6.942 127.350 120.400 0.014 0.000 2.297 267 K HA 0.476 4.796 4.320 -0.000 0.000 0.286 267 K C -0.721 175.889 176.600 0.018 0.000 1.053 267 K CA -0.478 55.820 56.287 0.018 0.000 0.940 267 K CB 0.941 33.446 32.500 0.008 0.000 1.019 267 K HN 0.534 nan 8.250 nan 0.000 0.475 268 V N 1.171 121.108 119.914 0.037 0.000 3.001 268 V HA 0.513 4.633 4.120 -0.000 0.000 0.314 268 V C -0.456 175.646 176.094 0.013 0.000 1.099 268 V CA -1.180 61.143 62.300 0.037 0.000 0.989 268 V CB 1.626 33.519 31.823 0.117 0.000 1.040 268 V HN 0.972 nan 8.190 nan 0.000 0.434 269 N N 1.048 119.737 118.700 -0.018 0.000 2.443 269 N HA 0.243 4.983 4.740 -0.000 0.000 0.294 269 N C 0.556 176.013 175.510 -0.088 0.000 1.289 269 N CA 0.102 53.127 53.050 -0.041 0.000 0.966 269 N CB -0.028 38.429 38.487 -0.048 0.000 1.122 269 N HN 0.705 nan 8.380 nan 0.000 0.569 270 E N -0.838 119.303 120.200 -0.098 0.000 2.333 270 E HA -0.078 4.272 4.350 -0.000 0.000 0.198 270 E C 0.413 176.834 176.600 -0.298 0.000 1.007 270 E CA 1.323 57.632 56.400 -0.153 0.000 0.845 270 E CB -0.213 29.438 29.700 -0.082 0.000 0.766 270 E HN 0.590 nan 8.360 nan 0.000 0.507 271 K N -0.685 119.587 120.400 -0.212 0.000 2.440 271 K HA 0.229 4.549 4.320 -0.000 0.000 0.206 271 K C -0.560 176.050 176.600 0.017 0.000 1.025 271 K CA -0.214 55.988 56.287 -0.142 0.000 1.135 271 K CB 0.093 32.626 32.500 0.056 0.000 0.856 271 K HN 0.023 nan 8.250 nan 0.000 0.502 272 F N -0.294 119.732 119.950 0.127 0.000 2.871 272 F HA -0.347 4.180 4.527 -0.000 0.000 0.326 272 F C 0.511 176.384 175.800 0.121 0.000 0.675 272 F CA 0.209 58.285 58.000 0.126 0.000 1.188 272 F CB -1.537 37.538 39.000 0.126 0.000 1.567 272 F HN 0.253 nan 8.300 nan 0.000 0.325 273 Q N 2.118 121.969 119.800 0.084 0.000 2.313 273 Q HA 0.315 4.655 4.340 -0.000 0.000 0.266 273 Q C 0.937 176.839 176.000 -0.164 0.000 0.989 273 Q CA 0.379 55.996 55.803 -0.309 0.000 0.890 273 Q CB 1.177 29.680 28.738 -0.393 0.000 1.200 273 Q HN 0.327 nan 8.270 nan 0.000 0.396 274 T N -0.166 114.275 114.554 -0.188 0.000 2.715 274 T HA 0.055 4.405 4.350 -0.000 0.000 0.320 274 T C 1.270 175.900 174.700 -0.116 0.000 1.046 274 T CA 0.017 62.054 62.100 -0.105 0.000 0.983 274 T CB 0.423 69.243 68.868 -0.081 0.000 1.183 274 T HN 0.702 nan 8.240 nan 0.000 0.522 275 S N -1.220 114.434 115.700 -0.077 0.000 2.555 275 S HA -0.001 4.469 4.470 -0.000 0.000 0.230 275 S C 0.491 175.039 174.600 -0.087 0.000 0.978 275 S CA 0.182 58.340 58.200 -0.071 0.000 0.934 275 S CB -0.482 62.692 63.200 -0.043 0.000 0.766 275 S HN 0.814 nan 8.310 nan 0.000 0.533 276 D N 2.187 122.527 120.400 -0.101 0.000 2.233 276 D HA 0.240 4.880 4.640 -0.000 0.000 0.240 276 D C -1.842 174.325 176.300 -0.222 0.000 1.074 276 D CA -2.212 51.719 54.000 -0.114 0.000 0.838 276 D CB 2.165 42.948 40.800 -0.028 0.000 1.124 276 D HN -0.027 nan 8.370 nan 0.000 0.475 277 P HA -0.146 nan 4.420 nan 0.000 0.221 277 P C 0.666 177.695 177.300 -0.451 0.000 1.145 277 P CA 1.129 63.961 63.100 -0.446 0.000 0.795 277 P CB 0.239 31.618 31.700 -0.536 0.000 0.775 278 H N -1.422 117.630 119.070 -0.029 0.000 2.551 278 H HA 0.326 4.882 4.556 -0.000 0.000 0.271 278 H C 0.957 176.334 175.328 0.082 0.000 0.984 278 H CA -0.046 56.060 56.048 0.097 0.000 1.164 278 H CB 0.472 30.369 29.762 0.225 0.000 1.437 278 H HN 0.223 nan 8.280 nan 0.000 0.550 279 I N 1.296 121.847 120.570 -0.033 0.000 2.389 279 I HA 0.202 4.372 4.170 -0.000 0.000 0.288 279 I C -0.844 175.153 176.117 -0.201 0.000 0.999 279 I CA -0.779 60.490 61.300 -0.051 0.000 1.129 279 I CB 1.343 39.318 38.000 -0.042 0.000 1.288 279 I HN -0.138 nan 8.210 nan 0.000 0.444 280 Y N 4.180 124.471 120.300 -0.015 0.000 2.567 280 Y HA 0.824 5.373 4.550 -0.000 0.000 0.333 280 Y C 0.290 176.176 175.900 -0.023 0.000 1.106 280 Y CA -0.801 57.306 58.100 0.011 0.000 1.157 280 Y CB 1.989 40.465 38.460 0.028 0.000 1.277 280 Y HN 0.571 nan 8.280 nan 0.000 0.490 281 A N 2.308 125.222 122.820 0.155 0.000 2.520 281 A HA 0.870 5.190 4.320 -0.000 0.000 0.298 281 A C -1.282 176.285 177.584 -0.029 0.000 1.051 281 A CA -0.584 51.475 52.037 0.036 0.000 0.690 281 A CB 1.135 20.146 19.000 0.018 0.000 1.281 281 A HN 0.756 nan 8.150 nan 0.000 0.402 282 I N -1.538 118.947 120.570 -0.141 0.000 3.279 282 I HA 0.955 5.124 4.170 -0.000 0.000 0.315 282 I C 0.395 176.393 176.117 -0.199 0.000 1.225 282 I CA -0.448 60.675 61.300 -0.295 0.000 0.947 282 I CB 1.846 39.543 38.000 -0.504 0.000 1.293 282 I HN 2.117 nan 8.210 nan 0.000 0.468 283 G N 1.971 110.641 108.800 -0.217 0.000 2.587 283 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.212 283 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.212 283 G C -0.175 174.681 174.900 -0.075 0.000 1.327 283 G CA 0.369 45.383 45.100 -0.143 0.000 0.898 283 G HN 0.825 nan 8.290 nan 0.000 0.551 284 D N 0.235 120.606 120.400 -0.048 0.000 2.221 284 D HA 0.043 4.683 4.640 -0.000 0.000 0.204 284 D C 2.624 178.919 176.300 -0.008 0.000 0.982 284 D CA 2.073 56.063 54.000 -0.017 0.000 0.857 284 D CB -0.501 40.293 40.800 -0.009 0.000 0.934 284 D HN 0.949 nan 8.370 nan 0.000 0.475 285 A N 0.505 123.313 122.820 -0.019 0.000 2.119 285 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 285 A C 1.326 178.910 177.584 0.000 0.000 1.153 285 A CA 0.170 52.202 52.037 -0.010 0.000 0.692 285 A CB -0.584 18.405 19.000 -0.018 0.000 0.799 285 A HN 0.404 nan 8.150 nan 0.000 0.458 286 I N -3.273 117.298 120.570 0.001 0.000 2.664 286 I HA 0.489 4.659 4.170 -0.000 0.000 0.308 286 I C 0.062 176.206 176.117 0.046 0.000 0.984 286 I CA -0.897 60.419 61.300 0.026 0.000 1.213 286 I CB 1.060 39.084 38.000 0.041 0.000 1.379 286 I HN 0.133 nan 8.210 nan 0.000 0.501 287 E N 3.767 124.001 120.200 0.057 0.000 2.316 287 E HA 0.432 4.782 4.350 -0.000 0.000 0.275 287 E C -0.891 175.772 176.600 0.106 0.000 1.029 287 E CA -0.713 55.727 56.400 0.068 0.000 0.871 287 E CB 1.312 31.044 29.700 0.053 0.000 1.022 287 E HN 0.629 nan 8.360 nan 0.000 0.418 288 V N 0.949 120.939 119.914 0.127 0.000 3.046 288 V HA 0.587 4.707 4.120 -0.000 0.000 0.316 288 V C -0.692 175.493 176.094 0.152 0.000 1.104 288 V CA -1.154 61.263 62.300 0.195 0.000 1.006 288 V CB 1.715 33.709 31.823 0.285 0.000 1.058 288 V HN 0.597 nan 8.190 nan 0.000 0.440 289 K N 2.244 122.742 120.400 0.164 0.000 2.172 289 K HA 0.327 4.647 4.320 -0.000 0.000 0.276 289 K C -0.316 176.351 176.600 0.111 0.000 1.013 289 K CA -0.446 55.901 56.287 0.101 0.000 0.913 289 K CB 0.836 33.373 32.500 0.063 0.000 1.055 289 K HN 1.023 nan 8.250 nan 0.000 0.461 290 D N 2.841 123.289 120.400 0.081 0.000 2.399 290 D HA -0.093 4.547 4.640 -0.000 0.000 0.241 290 D C 0.635 176.988 176.300 0.089 0.000 1.133 290 D CA -0.125 53.932 54.000 0.096 0.000 0.890 290 D CB 0.697 41.539 40.800 0.071 0.000 1.201 290 D HN 0.489 nan 8.370 nan 0.000 0.432 291 F N 2.696 122.641 119.950 -0.009 0.000 2.134 291 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 291 F C 1.883 177.681 175.800 -0.003 0.000 1.097 291 F CA 1.135 59.118 58.000 -0.029 0.000 1.264 291 F CB 0.007 38.970 39.000 -0.061 0.000 1.001 291 F HN 0.233 nan 8.300 nan 0.000 0.479 292 V N -0.182 119.794 119.914 0.104 0.000 2.307 292 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 292 V C 2.294 178.386 176.094 -0.003 0.000 1.045 292 V CA 2.381 64.729 62.300 0.080 0.000 1.024 292 V CB -1.006 30.934 31.823 0.195 0.000 0.651 292 V HN 0.614 nan 8.190 nan 0.000 0.449 293 T N -4.060 110.493 114.554 -0.001 0.000 3.010 293 T HA 0.184 4.534 4.350 -0.000 0.000 0.257 293 T C 0.584 175.261 174.700 -0.039 0.000 1.020 293 T CA 0.412 62.505 62.100 -0.010 0.000 0.938 293 T CB 0.081 68.947 68.868 -0.005 0.000 1.049 293 T HN 0.536 nan 8.240 nan 0.000 0.522 294 E N 1.121 121.288 120.200 -0.055 0.000 2.476 294 E HA -0.138 4.212 4.350 -0.000 0.000 0.251 294 E C -0.837 175.755 176.600 -0.013 0.000 1.130 294 E CA 0.522 56.895 56.400 -0.045 0.000 0.736 294 E CB -2.245 27.412 29.700 -0.073 0.000 1.298 294 E HN 0.539 nan 8.360 nan 0.000 0.400 295 T N 1.091 115.645 114.554 0.000 0.000 2.856 295 T HA 0.258 4.608 4.350 -0.000 0.000 0.292 295 T C 0.214 174.928 174.700 0.023 0.000 0.980 295 T CA -0.622 61.483 62.100 0.007 0.000 1.091 295 T CB 0.983 69.852 68.868 0.003 0.000 0.936 295 T HN 0.057 nan 8.240 nan 0.000 0.503 296 E N 1.811 122.025 120.200 0.023 0.000 2.376 296 E HA 0.414 4.764 4.350 -0.000 0.000 0.266 296 E C 0.366 176.987 176.600 0.035 0.000 1.009 296 E CA 0.218 56.638 56.400 0.034 0.000 0.902 296 E CB 0.667 30.383 29.700 0.027 0.000 0.972 296 E HN 0.558 nan 8.360 nan 0.000 0.439 300 P HA 0.416 nan 4.420 nan 0.000 0.252 300 P C -0.852 176.460 177.300 0.019 0.000 1.727 300 P CA 0.140 63.251 63.100 0.019 0.000 1.134 300 P CB 0.332 32.040 31.700 0.014 0.000 1.876 301 L N 1.062 122.309 121.223 0.040 0.000 2.350 301 L HA 0.622 4.962 4.340 -0.000 0.000 0.260 301 L C 1.444 178.357 176.870 0.071 0.000 1.015 301 L CA -0.971 53.902 54.840 0.055 0.000 0.821 301 L CB 1.790 43.891 42.059 0.070 0.000 1.370 301 L HN 0.006 nan 8.230 nan 0.000 0.416 302 A N 0.627 123.493 122.820 0.076 0.000 1.930 302 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 302 A C 1.754 179.382 177.584 0.073 0.000 1.176 302 A CA 0.835 52.898 52.037 0.043 0.000 0.632 302 A CB -0.611 18.406 19.000 0.028 0.000 0.819 302 A HN 0.958 nan 8.150 nan 0.000 0.445 303 W N 1.384 122.677 121.300 -0.013 0.000 2.333 303 W HA -0.136 4.524 4.660 -0.000 0.000 0.316 303 W C -1.081 175.452 176.519 0.022 0.000 1.215 303 W CA 2.619 59.964 57.345 0.000 0.000 1.278 303 W CB -0.963 28.501 29.460 0.006 0.000 1.154 303 W HN 0.256 nan 8.180 nan 0.000 0.486 304 P HA -0.234 nan 4.420 nan 0.000 0.215 304 P C 1.581 178.832 177.300 -0.082 0.000 1.157 304 P CA 3.190 66.457 63.100 0.279 0.000 0.868 304 P CB -0.585 31.331 31.700 0.360 0.000 0.788 305 A N -0.310 122.458 122.820 -0.087 0.000 1.892 305 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 305 A C 2.230 179.655 177.584 -0.264 0.000 1.188 305 A CA 2.008 53.935 52.037 -0.183 0.000 0.631 305 A CB -1.551 17.369 19.000 -0.135 0.000 0.822 305 A HN 0.178 nan 8.150 nan 0.000 0.447 306 N N -1.021 117.515 118.700 -0.273 0.000 2.188 306 N HA -0.155 4.585 4.740 -0.000 0.000 0.184 306 N C 2.005 177.268 175.510 -0.412 0.000 1.018 306 N CA 1.467 54.324 53.050 -0.322 0.000 0.858 306 N CB -0.190 38.115 38.487 -0.304 0.000 0.989 306 N HN 0.472 nan 8.380 nan 0.000 0.426 307 R N 1.787 121.941 120.500 -0.576 0.000 2.075 307 R HA -0.041 4.298 4.340 -0.000 0.000 0.232 307 R C 2.067 178.178 176.300 -0.315 0.000 1.126 307 R CA 1.465 57.224 56.100 -0.567 0.000 0.963 307 R CB -0.321 29.421 30.300 -0.931 0.000 0.858 307 R HN 0.270 nan 8.270 nan 0.000 0.435 308 Q N -1.066 118.496 119.800 -0.398 0.000 2.050 308 Q HA -0.019 4.321 4.340 -0.000 0.000 0.202 308 Q C 2.081 177.724 176.000 -0.595 0.000 0.980 308 Q CA 1.598 57.020 55.803 -0.636 0.000 0.840 308 Q CB -0.350 27.837 28.738 -0.918 0.000 0.898 308 Q HN 0.573 nan 8.270 nan 0.000 0.424 309 G N 0.851 109.386 108.800 -0.442 0.000 2.422 309 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 309 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 309 G C 0.944 175.695 174.900 -0.247 0.000 1.146 309 G CA 0.253 45.150 45.100 -0.339 0.000 0.769 309 G HN 0.086 nan 8.290 nan 0.000 0.547 313 A N 0.277 123.070 122.820 -0.045 0.000 1.892 313 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 313 A C 1.756 179.408 177.584 0.115 0.000 1.188 313 A CA 2.352 54.393 52.037 0.007 0.000 0.631 313 A CB -0.842 18.136 19.000 -0.036 0.000 0.822 313 A HN 0.612 nan 8.150 nan 0.000 0.447 314 D N -0.143 120.318 120.400 0.101 0.000 2.117 314 D HA -0.120 4.519 4.640 -0.000 0.000 0.197 314 D C 1.842 178.261 176.300 0.198 0.000 0.987 314 D CA 1.245 55.360 54.000 0.193 0.000 0.829 314 D CB -0.369 40.518 40.800 0.144 0.000 0.961 314 D HN 0.536 nan 8.370 nan 0.000 0.460 315 I N 0.633 121.274 120.570 0.118 0.000 2.226 315 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 315 I C 2.382 178.495 176.117 -0.007 0.000 1.100 315 I CA 0.700 62.043 61.300 0.072 0.000 1.374 315 I CB -0.111 37.949 38.000 0.100 0.000 1.057 315 I HN -0.041 nan 8.210 nan 0.000 0.413 316 I N -0.087 120.431 120.570 -0.086 0.000 2.335 316 I HA -0.315 3.855 4.170 -0.000 0.000 0.251 316 I C 1.789 177.776 176.117 -0.216 0.000 1.129 316 I CA 1.315 62.494 61.300 -0.201 0.000 1.402 316 I CB -0.442 37.394 38.000 -0.274 0.000 1.069 316 I HN 0.329 nan 8.210 nan 0.000 0.424 317 H N 0.482 119.508 119.070 -0.074 0.000 2.538 317 H HA 0.161 4.717 4.556 -0.000 0.000 0.286 317 H C 1.519 176.646 175.328 -0.336 0.000 1.035 317 H CA 0.753 56.725 56.048 -0.126 0.000 1.169 317 H CB 0.191 29.941 29.762 -0.019 0.000 1.417 317 H HN 0.480 nan 8.280 nan 0.000 0.567 318 G N 1.454 110.158 108.800 -0.160 0.000 2.148 318 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 318 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 318 G C 0.006 174.780 174.900 -0.211 0.000 0.981 318 G CA -0.154 44.838 45.100 -0.181 0.000 0.670 318 G HN 0.530 nan 8.290 nan 0.000 0.528 319 H N 1.248 120.359 119.070 0.068 0.000 2.882 319 H HA 0.382 4.938 4.556 -0.000 0.000 0.258 319 H C 1.453 176.811 175.328 0.049 0.000 1.579 319 H CA 0.772 56.852 56.048 0.053 0.000 1.340 319 H CB 0.110 29.902 29.762 0.049 0.000 1.645 319 H HN 0.406 nan 8.280 nan 0.000 0.541 320 T N -2.286 112.337 114.554 0.114 0.000 3.174 320 T HA 0.021 4.371 4.350 -0.000 0.000 0.269 320 T C 0.869 175.611 174.700 0.070 0.000 1.017 320 T CA -0.426 61.722 62.100 0.080 0.000 0.899 320 T CB 0.199 69.096 68.868 0.048 0.000 1.077 320 T HN 0.038 nan 8.240 nan 0.000 0.552 321 D N 1.954 122.403 120.400 0.082 0.000 2.182 321 D HA 0.007 4.647 4.640 -0.000 0.000 0.201 321 D C 0.649 176.983 176.300 0.058 0.000 0.986 321 D CA 1.036 55.074 54.000 0.063 0.000 0.847 321 D CB 0.006 40.844 40.800 0.064 0.000 0.942 321 D HN 0.434 nan 8.370 nan 0.000 0.467 322 S N -0.506 115.236 115.700 0.071 0.000 2.498 322 S HA 0.584 5.053 4.470 -0.000 0.000 0.317 322 S C -0.624 174.027 174.600 0.084 0.000 1.090 322 S CA -0.722 57.523 58.200 0.074 0.000 1.089 322 S CB 0.372 63.620 63.200 0.080 0.000 0.997 322 S HN -0.013 nan 8.310 nan 0.000 0.470 323 L N 3.125 124.391 121.223 0.072 0.000 2.301 323 L HA 0.556 4.896 4.340 -0.000 0.000 0.264 323 L C -0.684 176.256 176.870 0.118 0.000 1.016 323 L CA -1.224 53.652 54.840 0.061 0.000 0.821 323 L CB 0.918 42.974 42.059 -0.004 0.000 1.346 323 L HN 0.585 nan 8.230 nan 0.000 0.429 324 Y N 1.696 121.973 120.300 -0.038 0.000 2.717 324 Y HA -0.050 4.500 4.550 -0.000 0.000 0.330 324 Y C 1.025 176.978 175.900 0.088 0.000 1.217 324 Y CA 0.130 58.275 58.100 0.076 0.000 1.506 324 Y CB 0.535 39.051 38.460 0.093 0.000 1.268 324 Y HN 0.386 nan 8.280 nan 0.000 0.561 325 K N 4.641 124.904 120.400 -0.228 0.000 2.417 325 K HA 0.270 4.590 4.320 -0.000 0.000 0.196 325 K C 0.664 177.219 176.600 -0.075 0.000 1.023 325 K CA 0.675 56.926 56.287 -0.060 0.000 1.122 325 K CB -0.379 32.198 32.500 0.127 0.000 0.850 325 K HN 0.988 nan 8.250 nan 0.000 0.521 326 G N 0.867 109.452 108.800 -0.357 0.000 2.661 326 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.685 326 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.685 326 G C -0.765 174.057 174.900 -0.130 0.000 1.298 326 G CA -0.944 44.115 45.100 -0.068 0.000 0.855 326 G HN 0.028 nan 8.290 nan 0.000 0.560 327 T N 1.230 115.888 114.554 0.173 0.000 2.767 327 T HA 0.486 4.836 4.350 -0.000 0.000 0.284 327 T C 1.730 176.506 174.700 0.127 0.000 0.973 327 T CA -0.252 61.967 62.100 0.199 0.000 0.996 327 T CB 1.607 70.650 68.868 0.291 0.000 0.927 327 T HN 0.592 nan 8.240 nan 0.000 0.456 328 L N 2.686 123.922 121.223 0.022 0.000 2.156 328 L HA 0.152 4.492 4.340 -0.000 0.000 0.208 328 L C 1.715 178.574 176.870 -0.018 0.000 1.095 328 L CA 1.223 56.052 54.840 -0.018 0.000 0.770 328 L CB -0.317 41.612 42.059 -0.217 0.000 0.914 328 L HN 1.054 nan 8.230 nan 0.000 0.439 329 G N 0.204 108.984 108.800 -0.034 0.000 2.142 329 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.225 329 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.225 329 G C 0.177 175.023 174.900 -0.091 0.000 1.015 329 G CA 0.268 45.343 45.100 -0.043 0.000 0.716 329 G HN 0.298 nan 8.290 nan 0.000 0.508 330 T N 1.400 115.876 114.554 -0.130 0.000 2.817 330 T HA 0.524 4.874 4.350 -0.000 0.000 0.295 330 T C 0.603 175.239 174.700 -0.107 0.000 0.958 330 T CA 0.860 62.876 62.100 -0.140 0.000 1.157 330 T CB 1.250 69.983 68.868 -0.224 0.000 0.898 330 T HN 1.572 nan 8.240 nan 0.000 0.536 331 S N 1.976 117.628 115.700 -0.080 0.000 2.579 331 S HA 0.814 5.284 4.470 -0.000 0.000 0.272 331 S C -1.174 173.497 174.600 0.119 0.000 1.141 331 S CA -0.858 57.308 58.200 -0.057 0.000 0.843 331 S CB 2.153 65.186 63.200 -0.278 0.000 1.122 331 S HN 0.646 nan 8.310 nan 0.000 0.468 332 V N 0.157 120.222 119.914 0.251 0.000 3.048 332 V HA 0.904 5.024 4.120 -0.000 0.000 0.303 332 V C -1.214 175.083 176.094 0.337 0.000 1.214 332 V CA 0.150 62.628 62.300 0.297 0.000 0.984 332 V CB 1.807 33.702 31.823 0.119 0.000 1.054 332 V HN 1.884 nan 8.190 nan 0.000 0.430 333 A N 4.810 127.711 122.820 0.136 0.000 2.515 333 A HA 0.756 5.076 4.320 -0.000 0.000 0.298 333 A C -1.073 176.467 177.584 -0.074 0.000 1.059 333 A CA -0.763 51.270 52.037 -0.007 0.000 0.698 333 A CB 1.864 20.702 19.000 -0.270 0.000 1.289 333 A HN 0.869 nan 8.150 nan 0.000 0.404 334 K N 1.545 121.929 120.400 -0.027 0.000 2.258 334 K HA 0.529 4.849 4.320 -0.000 0.000 0.284 334 K C -1.307 175.219 176.600 -0.124 0.000 1.051 334 K CA -0.153 56.102 56.287 -0.052 0.000 0.923 334 K CB 0.693 33.192 32.500 -0.002 0.000 1.046 334 K HN 0.412 nan 8.250 nan 0.000 0.474 335 V N 7.634 127.465 119.914 -0.138 0.000 2.327 335 V HA 0.198 4.318 4.120 -0.000 0.000 0.272 335 V C -0.040 176.034 176.094 -0.033 0.000 1.019 335 V CA -0.634 61.571 62.300 -0.158 0.000 0.814 335 V CB -0.726 31.045 31.823 -0.087 0.000 1.040 335 V HN 1.014 nan 8.190 nan 0.000 0.440 336 F N 1.316 121.173 119.950 -0.154 0.000 2.338 336 F HA -0.408 4.119 4.527 -0.000 0.000 0.262 336 F C 1.977 177.701 175.800 -0.126 0.000 1.441 336 F CA 2.245 60.091 58.000 -0.256 0.000 2.000 336 F CB -0.938 37.622 39.000 -0.732 0.000 0.547 336 F HN 0.654 nan 8.300 nan 0.000 0.206 337 D N 0.749 121.249 120.400 0.167 0.000 2.339 337 D HA 0.174 4.814 4.640 -0.000 0.000 0.217 337 D C 0.339 176.662 176.300 0.038 0.000 1.050 337 D CA 0.484 54.570 54.000 0.144 0.000 0.856 337 D CB 0.088 41.046 40.800 0.263 0.000 0.922 337 D HN 0.190 nan 8.370 nan 0.000 0.518 338 L N 0.822 122.021 121.223 -0.040 0.000 2.331 338 L HA 0.420 4.760 4.340 -0.000 0.000 0.275 338 L C -0.366 176.437 176.870 -0.113 0.000 1.022 338 L CA -0.213 54.526 54.840 -0.168 0.000 0.812 338 L CB 2.105 43.959 42.059 -0.342 0.000 1.257 338 L HN -0.243 nan 8.230 nan 0.000 0.435 339 T N 2.908 117.395 114.554 -0.112 0.000 2.824 339 T HA 0.675 5.025 4.350 -0.000 0.000 0.280 339 T C -0.899 173.738 174.700 -0.106 0.000 0.995 339 T CA -0.400 61.647 62.100 -0.088 0.000 1.009 339 T CB 1.364 70.199 68.868 -0.054 0.000 0.955 339 T HN 0.302 nan 8.240 nan 0.000 0.452 340 V N 2.262 122.111 119.914 -0.108 0.000 2.531 340 V HA 0.856 4.976 4.120 -0.000 0.000 0.301 340 V C -0.163 175.935 176.094 0.006 0.000 1.034 340 V CA -0.814 61.423 62.300 -0.105 0.000 0.865 340 V CB 1.370 33.061 31.823 -0.220 0.000 0.995 340 V HN 1.106 nan 8.190 nan 0.000 0.424 341 A N 3.106 125.960 122.820 0.057 0.000 2.469 341 A HA 0.976 5.296 4.320 -0.000 0.000 0.299 341 A C -0.520 177.137 177.584 0.121 0.000 1.098 341 A CA -0.665 51.447 52.037 0.124 0.000 0.737 341 A CB 2.436 21.467 19.000 0.051 0.000 1.312 341 A HN 0.737 nan 8.150 nan 0.000 0.414 342 T N -0.448 114.172 114.554 0.110 0.000 2.894 342 T HA 0.737 5.087 4.350 -0.000 0.000 0.309 342 T C -1.118 173.575 174.700 -0.011 0.000 1.208 342 T CA 0.092 62.224 62.100 0.054 0.000 1.016 342 T CB 1.835 70.752 68.868 0.081 0.000 1.192 342 T HN 1.325 nan 8.240 nan 0.000 0.491 343 T N 1.292 115.833 114.554 -0.023 0.000 2.889 343 T HA 0.648 4.998 4.350 -0.000 0.000 0.315 343 T C 0.395 175.084 174.700 -0.019 0.000 1.291 343 T CA 1.159 63.230 62.100 -0.048 0.000 1.028 343 T CB 0.746 69.568 68.868 -0.077 0.000 1.235 343 T HN 1.709 nan 8.240 nan 0.000 0.491 344 G N 2.201 110.996 108.800 -0.008 0.000 2.564 344 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.273 344 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.273 344 G C -0.859 174.056 174.900 0.024 0.000 1.242 344 G CA 0.164 45.286 45.100 0.038 0.000 0.951 344 G HN 0.925 nan 8.290 nan 0.000 0.564 345 L N 1.374 122.617 121.223 0.032 0.000 2.331 345 L HA 0.500 4.839 4.340 -0.000 0.000 0.275 345 L C 0.522 177.366 176.870 -0.043 0.000 1.022 345 L CA -0.823 54.009 54.840 -0.012 0.000 0.812 345 L CB 1.848 43.883 42.059 -0.039 0.000 1.257 345 L HN 0.941 nan 8.230 nan 0.000 0.435 346 N N -0.318 118.346 118.700 -0.059 0.000 2.447 346 N HA 0.141 4.881 4.740 -0.000 0.000 0.271 346 N C 0.364 175.768 175.510 -0.177 0.000 1.226 346 N CA -0.690 52.315 53.050 -0.075 0.000 0.980 346 N CB 0.574 39.056 38.487 -0.009 0.000 1.206 346 N HN 0.513 nan 8.380 nan 0.000 0.558 347 E N -0.158 119.929 120.200 -0.189 0.000 2.085 347 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 347 E C 1.176 177.705 176.600 -0.119 0.000 0.994 347 E CA 1.339 57.563 56.400 -0.293 0.000 0.801 347 E CB -0.125 29.536 29.700 -0.065 0.000 0.743 347 E HN 0.561 nan 8.360 nan 0.000 0.453 348 K N 0.534 120.914 120.400 -0.034 0.000 2.032 348 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 348 K C 2.175 178.760 176.600 -0.025 0.000 1.048 348 K CA 1.317 57.601 56.287 -0.005 0.000 0.927 348 K CB -0.218 32.294 32.500 0.020 0.000 0.712 348 K HN 0.124 nan 8.250 nan 0.000 0.441 349 I N 1.066 121.608 120.570 -0.047 0.000 2.226 349 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 349 I C 2.180 178.250 176.117 -0.077 0.000 1.100 349 I CA 1.187 62.456 61.300 -0.052 0.000 1.374 349 I CB -0.259 37.711 38.000 -0.051 0.000 1.057 349 I HN 0.077 nan 8.210 nan 0.000 0.413 350 L N 0.349 121.489 121.223 -0.138 0.000 2.093 350 L HA -0.185 4.154 4.340 -0.000 0.000 0.208 350 L C 2.511 179.373 176.870 -0.014 0.000 1.085 350 L CA 1.435 56.180 54.840 -0.159 0.000 0.755 350 L CB -0.488 41.354 42.059 -0.362 0.000 0.904 350 L HN 0.131 nan 8.230 nan 0.000 0.435 351 K N -0.322 120.108 120.400 0.051 0.000 2.057 351 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 351 K C 2.248 178.858 176.600 0.017 0.000 1.050 351 K CA 1.107 57.441 56.287 0.077 0.000 0.935 351 K CB -0.184 32.365 32.500 0.081 0.000 0.715 351 K HN 0.147 nan 8.250 nan 0.000 0.439 352 R N 1.127 121.626 120.500 -0.002 0.000 2.105 352 R HA -0.114 4.225 4.340 -0.000 0.000 0.239 352 R C 1.689 177.980 176.300 -0.016 0.000 1.135 352 R CA 1.271 57.365 56.100 -0.010 0.000 0.967 352 R CB -0.101 30.192 30.300 -0.012 0.000 0.861 352 R HN 0.164 nan 8.270 nan 0.000 0.442 353 L N 0.537 121.744 121.223 -0.027 0.000 2.592 353 L HA 0.133 4.473 4.340 -0.000 0.000 0.227 353 L C -0.330 176.522 176.870 -0.030 0.000 1.127 353 L CA 0.079 54.899 54.840 -0.034 0.000 0.884 353 L CB -0.212 41.814 42.059 -0.056 0.000 1.065 353 L HN 0.297 nan 8.230 nan 0.000 0.457 354 N N 0.425 119.114 118.700 -0.018 0.000 2.738 354 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 354 N C -0.592 174.905 175.510 -0.022 0.000 1.047 354 N CA 0.409 53.450 53.050 -0.015 0.000 0.707 354 N CB -1.390 37.088 38.487 -0.015 0.000 0.937 354 N HN 0.300 nan 8.380 nan 0.000 0.545 355 I N 0.853 121.405 120.570 -0.029 0.000 2.339 355 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 355 I C -1.832 174.287 176.117 0.003 0.000 0.994 355 I CA -2.044 59.219 61.300 -0.061 0.000 1.191 355 I CB 1.206 39.069 38.000 -0.228 0.000 1.343 355 I HN -0.122 nan 8.210 nan 0.000 0.458 356 P HA 0.149 nan 4.420 nan 0.000 0.276 356 P C -1.525 175.831 177.300 0.093 0.000 1.235 356 P CA 0.254 63.338 63.100 -0.028 0.000 0.772 356 P CB 0.403 32.095 31.700 -0.012 0.000 0.871 357 Y N -0.418 119.874 120.300 -0.014 0.000 2.644 357 Y HA 0.769 5.319 4.550 -0.000 0.000 0.338 357 Y C -0.670 175.146 175.900 -0.139 0.000 1.119 357 Y CA -1.291 56.812 58.100 0.006 0.000 1.060 357 Y CB 1.206 39.674 38.460 0.014 0.000 1.294 357 Y HN 0.132 nan 8.280 nan 0.000 0.472 358 E N 1.162 121.249 120.200 -0.188 0.000 2.336 358 E HA 0.603 4.953 4.350 -0.000 0.000 0.267 358 E C -1.132 175.228 176.600 -0.400 0.000 0.906 358 E CA -0.922 55.260 56.400 -0.364 0.000 0.781 358 E CB 2.832 32.187 29.700 -0.574 0.000 1.261 358 E HN 0.797 nan 8.360 nan 0.000 0.436 359 V N -1.564 118.317 119.914 -0.055 0.000 3.001 359 V HA 0.835 4.955 4.120 -0.000 0.000 0.314 359 V C -0.701 175.536 176.094 0.238 0.000 1.099 359 V CA -0.762 61.594 62.300 0.093 0.000 0.989 359 V CB 2.080 33.993 31.823 0.150 0.000 1.040 359 V HN 0.375 nan 8.190 nan 0.000 0.434 360 V N 2.222 122.284 119.914 0.247 0.000 2.925 360 V HA 0.714 4.834 4.120 -0.000 0.000 0.311 360 V C -1.498 174.610 176.094 0.024 0.000 1.104 360 V CA -0.344 62.092 62.300 0.227 0.000 0.954 360 V CB 2.436 34.416 31.823 0.262 0.000 1.022 360 V HN 1.172 nan 8.190 nan 0.000 0.427 361 H N 3.655 122.819 119.070 0.157 0.000 2.708 361 H HA 0.679 5.235 4.556 -0.000 0.000 0.320 361 H C -0.738 174.637 175.328 0.078 0.000 0.991 361 H CA -0.442 55.674 56.048 0.112 0.000 1.243 361 H CB 1.830 31.668 29.762 0.127 0.000 1.446 361 H HN 0.430 nan 8.280 nan 0.000 0.502 362 V N 3.740 123.730 119.914 0.127 0.000 2.407 362 V HA 0.225 4.345 4.120 -0.000 0.000 0.291 362 V C -0.174 175.945 176.094 0.041 0.000 1.018 362 V CA -0.801 61.544 62.300 0.075 0.000 0.842 362 V CB 1.599 33.444 31.823 0.038 0.000 0.996 362 V HN 0.730 nan 8.190 nan 0.000 0.426 363 Q N 3.294 123.119 119.800 0.041 0.000 2.256 363 Q HA 0.757 5.096 4.340 -0.000 0.000 0.254 363 Q C -0.550 175.455 176.000 0.008 0.000 0.916 363 Q CA -0.305 55.504 55.803 0.009 0.000 0.932 363 Q CB 1.633 30.381 28.738 0.016 0.000 1.207 363 Q HN 0.942 nan 8.270 nan 0.000 0.426 364 A N 4.007 126.820 122.820 -0.011 0.000 2.594 364 A HA 0.487 4.807 4.320 -0.000 0.000 0.295 364 A C -1.302 176.262 177.584 -0.033 0.000 1.071 364 A CA -0.973 51.056 52.037 -0.013 0.000 0.685 364 A CB 1.405 20.399 19.000 -0.010 0.000 1.285 364 A HN 0.819 nan 8.150 nan 0.000 0.405 365 N N 1.100 119.776 118.700 -0.040 0.000 2.518 365 N HA 0.137 4.877 4.740 -0.000 0.000 0.266 365 N C 1.674 177.131 175.510 -0.088 0.000 1.196 365 N CA 0.708 53.711 53.050 -0.078 0.000 0.947 365 N CB 1.450 39.882 38.487 -0.092 0.000 1.098 365 N HN 0.786 nan 8.380 nan 0.000 0.450 366 S N 1.160 116.780 115.700 -0.133 0.000 2.387 366 S HA -0.162 4.308 4.470 -0.000 0.000 0.230 366 S C 0.697 175.273 174.600 -0.039 0.000 1.035 366 S CA 1.068 59.208 58.200 -0.101 0.000 1.014 366 S CB -0.554 62.569 63.200 -0.128 0.000 0.836 366 S HN 0.840 nan 8.310 nan 0.000 0.466 367 H N -1.540 117.522 119.070 -0.014 0.000 2.933 367 H HA 0.688 5.243 4.556 -0.000 0.000 0.310 367 H C -0.533 174.753 175.328 -0.070 0.000 1.351 367 H CA -0.940 55.092 56.048 -0.027 0.000 1.137 367 H CB 0.997 30.728 29.762 -0.052 0.000 1.853 367 H HN 0.196 nan 8.280 nan 0.000 0.539 368 A N 0.257 123.158 122.820 0.134 0.000 2.567 368 A HA 0.181 4.501 4.320 -0.000 0.000 0.240 368 A C 1.518 179.012 177.584 -0.150 0.000 1.053 368 A CA 0.629 52.576 52.037 -0.149 0.000 0.755 368 A CB -0.519 18.145 19.000 -0.559 0.000 0.978 368 A HN 0.872 nan 8.150 nan 0.000 0.507 369 G N 1.196 109.933 108.800 -0.105 0.000 2.471 369 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 369 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 369 G C 1.023 175.950 174.900 0.046 0.000 1.125 369 G CA 1.353 46.447 45.100 -0.010 0.000 0.775 369 G HN 1.083 nan 8.290 nan 0.000 0.548 370 Y N -1.436 118.960 120.300 0.159 0.000 2.571 370 Y HA 0.340 4.890 4.550 -0.000 0.000 0.294 370 Y C 0.673 176.669 175.900 0.160 0.000 1.141 370 Y CA -1.488 56.692 58.100 0.133 0.000 1.308 370 Y CB -0.654 37.877 38.460 0.119 0.000 1.002 370 Y HN 0.130 nan 8.280 nan 0.000 0.551 371 Y N 3.041 123.263 120.300 -0.131 0.000 2.342 371 Y HA 0.529 5.079 4.550 0.000 0.000 0.334 371 Y C -2.424 173.518 175.900 0.070 0.000 1.067 371 Y CA -3.469 54.602 58.100 -0.048 0.000 1.128 371 Y CB 1.132 39.433 38.460 -0.263 0.000 1.200 371 Y HN -0.130 nan 8.280 nan 0.000 0.464 372 P HA -0.026 nan 4.420 nan 0.000 0.267 372 P C -0.802 176.559 177.300 0.101 0.000 1.201 372 P CA 0.659 63.650 63.100 -0.181 0.000 0.775 372 P CB 0.382 31.885 31.700 -0.329 0.000 0.854 373 N N -2.156 116.590 118.700 0.077 0.000 2.747 373 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 373 N C -0.189 175.332 175.510 0.019 0.000 1.107 373 N CA 1.131 54.231 53.050 0.083 0.000 0.707 373 N CB -1.890 36.655 38.487 0.096 0.000 1.054 373 N HN 0.590 nan 8.380 nan 0.000 0.555 374 A N 0.002 122.749 122.820 -0.121 0.000 2.425 374 A HA 0.525 4.845 4.320 -0.000 0.000 0.249 374 A C 0.781 178.222 177.584 -0.238 0.000 1.084 374 A CA 0.643 52.362 52.037 -0.530 0.000 0.781 374 A CB 0.744 19.507 19.000 -0.395 0.000 1.019 374 A HN 0.230 nan 8.150 nan 0.000 0.490 375 T N 2.646 117.061 114.554 -0.232 0.000 2.909 375 T HA 0.639 4.989 4.350 -0.000 0.000 0.299 375 T C -3.033 171.611 174.700 -0.092 0.000 1.073 375 T CA -1.660 60.376 62.100 -0.107 0.000 0.999 375 T CB 1.416 70.247 68.868 -0.061 0.000 1.098 375 T HN 0.373 nan 8.240 nan 0.000 0.477 376 P HA 0.306 nan 4.420 nan 0.000 0.271 376 P C -1.190 176.072 177.300 -0.064 0.000 1.216 376 P CA -0.311 62.760 63.100 -0.048 0.000 0.771 376 P CB 0.565 32.254 31.700 -0.019 0.000 0.864 377 V N 5.199 125.073 119.914 -0.067 0.000 2.409 377 V HA 0.285 4.405 4.120 -0.000 0.000 0.291 377 V C 0.142 176.187 176.094 -0.081 0.000 1.020 377 V CA -0.645 61.609 62.300 -0.076 0.000 0.848 377 V CB 1.565 33.354 31.823 -0.058 0.000 0.990 377 V HN 0.475 nan 8.190 nan 0.000 0.430 378 L N 6.629 127.778 121.223 -0.125 0.000 2.264 378 L HA 0.611 4.951 4.340 -0.000 0.000 0.289 378 L C -0.874 175.943 176.870 -0.089 0.000 1.044 378 L CA -0.336 54.428 54.840 -0.128 0.000 0.807 378 L CB 1.106 43.001 42.059 -0.275 0.000 1.192 378 L HN 0.575 nan 8.230 nan 0.000 0.425 379 I N 5.416 125.960 120.570 -0.043 0.000 2.406 379 I HA 0.338 4.508 4.170 -0.000 0.000 0.290 379 I C -0.254 175.844 176.117 -0.032 0.000 0.999 379 I CA -0.601 60.677 61.300 -0.037 0.000 1.124 379 I CB 1.881 39.861 38.000 -0.033 0.000 1.289 379 I HN 0.493 nan 8.210 nan 0.000 0.441 380 K N 6.647 127.010 120.400 -0.061 0.000 2.213 380 K HA 0.570 4.890 4.320 -0.000 0.000 0.270 380 K C -1.652 174.908 176.600 -0.066 0.000 1.002 380 K CA -0.644 55.549 56.287 -0.156 0.000 0.868 380 K CB 1.514 33.879 32.500 -0.225 0.000 1.093 380 K HN 0.438 nan 8.250 nan 0.000 0.454 381 L N 6.546 127.761 121.223 -0.014 0.000 2.356 381 L HA 0.509 4.849 4.340 -0.000 0.000 0.277 381 L C -1.295 175.737 176.870 0.269 0.000 0.996 381 L CA -0.489 54.412 54.840 0.102 0.000 0.822 381 L CB 1.404 43.507 42.059 0.074 0.000 1.256 381 L HN 0.612 nan 8.230 nan 0.000 0.413 382 I N 6.114 126.828 120.570 0.241 0.000 2.404 382 I HA 0.574 4.743 4.170 -0.000 0.000 0.293 382 I C -0.871 175.448 176.117 0.337 0.000 0.992 382 I CA -0.617 60.809 61.300 0.211 0.000 1.149 382 I CB 1.295 39.325 38.000 0.051 0.000 1.315 382 I HN 0.616 nan 8.210 nan 0.000 0.446 383 F N 3.462 123.520 119.950 0.181 0.000 2.713 383 F HA 0.449 4.976 4.527 -0.000 0.000 0.311 383 F C -1.014 174.819 175.800 0.056 0.000 1.141 383 F CA -1.162 56.821 58.000 -0.029 0.000 0.939 383 F CB 1.090 40.056 39.000 -0.057 0.000 1.325 383 F HN 0.298 nan 8.300 nan 0.000 0.453 384 N N 2.042 120.695 118.700 -0.078 0.000 2.458 384 N HA 0.092 4.832 4.740 -0.000 0.000 0.270 384 N C 0.514 176.138 175.510 0.190 0.000 1.102 384 N CA -0.053 53.040 53.050 0.072 0.000 0.967 384 N CB 1.678 40.146 38.487 -0.033 0.000 1.078 384 N HN 0.947 nan 8.380 nan 0.000 0.471 385 K N 2.891 123.371 120.400 0.133 0.000 2.147 385 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 385 K C 0.375 177.055 176.600 0.134 0.000 1.049 385 K CA 1.456 57.840 56.287 0.163 0.000 0.936 385 K CB 0.316 32.860 32.500 0.072 0.000 0.722 385 K HN 0.562 nan 8.250 nan 0.000 0.446 386 D N -0.914 119.541 120.400 0.092 0.000 2.259 386 D HA -0.061 4.579 4.640 -0.000 0.000 0.216 386 D C 1.912 178.242 176.300 0.049 0.000 0.961 386 D CA 1.368 55.405 54.000 0.061 0.000 0.878 386 D CB 0.179 41.006 40.800 0.046 0.000 1.009 386 D HN 0.275 nan 8.370 nan 0.000 0.490 387 S N -0.886 114.841 115.700 0.046 0.000 2.492 387 S HA 0.282 4.752 4.470 -0.000 0.000 0.218 387 S C 1.832 176.436 174.600 0.008 0.000 1.016 387 S CA 0.857 59.069 58.200 0.018 0.000 0.916 387 S CB 0.831 64.033 63.200 0.004 0.000 0.791 387 S HN 0.280 nan 8.310 nan 0.000 0.513 388 G N 1.767 110.588 108.800 0.036 0.000 2.179 388 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 388 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 388 G C 0.007 174.881 174.900 -0.043 0.000 0.977 388 G CA 0.314 45.424 45.100 0.016 0.000 0.641 388 G HN 0.759 nan 8.290 nan 0.000 0.533 389 K N 0.839 121.178 120.400 -0.102 0.000 2.511 389 K HA 0.244 4.563 4.320 -0.000 0.000 0.280 389 K C 0.559 176.976 176.600 -0.305 0.000 1.008 389 K CA -0.082 56.084 56.287 -0.202 0.000 1.050 389 K CB -0.046 32.293 32.500 -0.269 0.000 0.889 389 K HN 0.342 nan 8.250 nan 0.000 0.484 390 I N 6.051 126.515 120.570 -0.176 0.000 2.337 390 I HA 0.010 4.180 4.170 -0.000 0.000 0.291 390 I C 0.233 176.304 176.117 -0.076 0.000 1.046 390 I CA -0.500 60.743 61.300 -0.095 0.000 1.324 390 I CB 0.526 38.514 38.000 -0.021 0.000 1.409 390 I HN 0.688 nan 8.210 nan 0.000 0.494 391 Y N 4.681 125.037 120.300 0.094 0.000 2.448 391 Y HA 0.322 4.871 4.550 -0.000 0.000 0.289 391 Y C 1.418 177.329 175.900 0.019 0.000 1.114 391 Y CA -0.110 58.016 58.100 0.044 0.000 1.235 391 Y CB 0.093 38.556 38.460 0.005 0.000 1.045 391 Y HN 0.646 nan 8.280 nan 0.000 0.554 392 G N -1.384 107.514 108.800 0.164 0.000 2.338 392 G HA2 0.592 4.552 3.960 -0.000 0.000 0.295 392 G HA3 0.592 4.552 3.960 -0.000 0.000 0.295 392 G C -1.963 172.970 174.900 0.055 0.000 1.461 392 G CA -0.256 44.892 45.100 0.081 0.000 0.817 392 G HN 0.247 nan 8.290 nan 0.000 0.556 393 A N -0.250 122.583 122.820 0.021 0.000 2.539 393 A HA 0.922 5.242 4.320 -0.000 0.000 0.296 393 A C -0.815 176.771 177.584 0.002 0.000 1.073 393 A CA -0.568 51.473 52.037 0.007 0.000 0.700 393 A CB 1.965 20.960 19.000 -0.007 0.000 1.296 393 A HN 0.758 nan 8.150 nan 0.000 0.405 394 Q N 0.055 119.853 119.800 -0.003 0.000 2.372 394 Q HA 0.729 5.069 4.340 -0.000 0.000 0.273 394 Q C -1.275 174.715 176.000 -0.016 0.000 1.078 394 Q CA -0.644 55.163 55.803 0.006 0.000 0.806 394 Q CB 2.805 31.557 28.738 0.024 0.000 1.332 394 Q HN 0.681 nan 8.270 nan 0.000 0.435 395 T N 1.891 116.434 114.554 -0.019 0.000 2.933 395 T HA 0.730 5.080 4.350 -0.000 0.000 0.305 395 T C -1.395 173.263 174.700 -0.070 0.000 1.092 395 T CA -0.733 61.337 62.100 -0.049 0.000 1.008 395 T CB 1.043 69.886 68.868 -0.042 0.000 1.102 395 T HN 0.505 nan 8.240 nan 0.000 0.469 396 L N -0.498 120.654 121.223 -0.119 0.000 2.465 396 L HA 1.086 5.426 4.340 -0.000 0.000 0.257 396 L C -0.281 176.490 176.870 -0.165 0.000 0.988 396 L CA -0.519 54.231 54.840 -0.149 0.000 0.827 396 L CB 1.724 43.672 42.059 -0.186 0.000 1.397 396 L HN 1.038 nan 8.230 nan 0.000 0.410 397 G N 0.670 109.377 108.800 -0.155 0.000 2.320 397 G HA2 0.235 4.195 3.960 -0.000 0.000 0.297 397 G HA3 0.235 4.195 3.960 -0.000 0.000 0.297 397 G C -0.545 174.292 174.900 -0.105 0.000 1.344 397 G CA -0.569 44.456 45.100 -0.126 0.000 0.851 397 G HN 0.660 nan 8.290 nan 0.000 0.567 398 R N -0.618 119.845 120.500 -0.063 0.000 2.246 398 R HA 0.244 4.584 4.340 -0.000 0.000 0.199 398 R C -0.190 176.099 176.300 -0.020 0.000 0.984 398 R CA 0.992 57.073 56.100 -0.032 0.000 1.015 398 R CB 0.296 30.605 30.300 0.014 0.000 0.930 398 R HN 0.511 nan 8.270 nan 0.000 0.475 399 D N -2.499 117.885 120.400 -0.025 0.000 2.706 399 D HA 0.271 4.911 4.640 -0.000 0.000 0.225 399 D C -0.145 176.148 176.300 -0.012 0.000 1.241 399 D CA 0.516 54.511 54.000 -0.008 0.000 0.784 399 D CB 1.480 42.284 40.800 0.007 0.000 1.521 399 D HN 0.052 nan 8.370 nan 0.000 0.461 400 G N 0.648 109.453 108.800 0.007 0.000 2.143 400 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.248 400 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.248 400 G C 0.932 175.828 174.900 -0.006 0.000 0.991 400 G CA 0.506 45.614 45.100 0.013 0.000 0.689 400 G HN 0.529 nan 8.290 nan 0.000 0.522 401 V N 1.389 121.293 119.914 -0.017 0.000 2.426 401 V HA -0.030 4.090 4.120 -0.000 0.000 0.242 401 V C 2.776 178.858 176.094 -0.020 0.000 1.036 401 V CA 2.306 64.589 62.300 -0.028 0.000 1.044 401 V CB -0.286 31.512 31.823 -0.041 0.000 0.688 401 V HN 0.619 nan 8.190 nan 0.000 0.462 402 D N 1.232 121.624 120.400 -0.012 0.000 2.123 402 D HA -0.300 4.340 4.640 -0.000 0.000 0.196 402 D C 1.942 178.232 176.300 -0.016 0.000 0.992 402 D CA 1.792 55.786 54.000 -0.011 0.000 0.833 402 D CB -0.372 40.425 40.800 -0.004 0.000 0.954 402 D HN 0.470 nan 8.370 nan 0.000 0.455 403 K N 0.193 120.589 120.400 -0.007 0.000 2.026 403 K HA -0.131 4.188 4.320 -0.000 0.000 0.208 403 K C 0.942 177.530 176.600 -0.020 0.000 1.048 403 K CA 0.608 56.890 56.287 -0.007 0.000 0.929 403 K CB 0.188 32.697 32.500 0.014 0.000 0.713 403 K HN -0.105 nan 8.250 nan 0.000 0.439 407 V N 1.711 121.583 119.914 -0.070 0.000 2.295 407 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 407 V C 2.453 178.498 176.094 -0.083 0.000 1.049 407 V CA 1.616 63.874 62.300 -0.070 0.000 1.024 407 V CB -0.410 31.380 31.823 -0.055 0.000 0.648 407 V HN 0.208 nan 8.190 nan 0.000 0.447 408 I N 0.325 120.847 120.570 -0.080 0.000 2.252 408 I HA -0.203 3.966 4.170 -0.000 0.000 0.245 408 I C 2.620 178.676 176.117 -0.102 0.000 1.102 408 I CA 1.389 62.639 61.300 -0.082 0.000 1.385 408 I CB -0.544 37.416 38.000 -0.067 0.000 1.064 408 I HN 0.265 nan 8.210 nan 0.000 0.414 409 A N 0.213 122.960 122.820 -0.123 0.000 1.902 409 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 409 A C 2.388 179.846 177.584 -0.210 0.000 1.181 409 A CA 2.429 54.361 52.037 -0.175 0.000 0.623 409 A CB -1.098 17.780 19.000 -0.203 0.000 0.818 409 A HN 0.377 nan 8.150 nan 0.000 0.443 410 T N 0.386 114.836 114.554 -0.173 0.000 2.708 410 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 410 T C 2.263 176.879 174.700 -0.139 0.000 1.037 410 T CA 1.744 63.748 62.100 -0.159 0.000 1.146 410 T CB -0.558 68.240 68.868 -0.115 0.000 0.865 410 T HN 0.620 nan 8.240 nan 0.000 0.435 411 A N 1.272 124.026 122.820 -0.111 0.000 1.892 411 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 411 A C 2.307 179.841 177.584 -0.082 0.000 1.188 411 A CA 1.579 53.562 52.037 -0.089 0.000 0.631 411 A CB -0.930 18.020 19.000 -0.083 0.000 0.822 411 A HN 0.540 nan 8.150 nan 0.000 0.447 412 I N -0.690 119.821 120.570 -0.098 0.000 2.127 412 I HA -0.287 3.883 4.170 -0.000 0.000 0.241 412 I C 2.494 178.544 176.117 -0.111 0.000 1.075 412 I CA 1.757 63.020 61.300 -0.062 0.000 1.334 412 I CB -0.342 37.619 38.000 -0.065 0.000 1.040 412 I HN 0.288 nan 8.210 nan 0.000 0.405 413 K N 0.750 120.933 120.400 -0.362 0.000 2.211 413 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 413 K C 1.893 178.391 176.600 -0.169 0.000 1.050 413 K CA 1.253 57.184 56.287 -0.593 0.000 0.945 413 K CB -0.123 31.994 32.500 -0.639 0.000 0.732 413 K HN 0.308 nan 8.250 nan 0.000 0.451 414 A N 1.092 123.854 122.820 -0.098 0.000 2.235 414 A HA -0.028 4.292 4.320 -0.000 0.000 0.208 414 A C 0.015 177.612 177.584 0.023 0.000 1.172 414 A CA 0.394 52.414 52.037 -0.027 0.000 0.786 414 A CB -0.570 18.403 19.000 -0.044 0.000 0.804 414 A HN 0.557 nan 8.150 nan 0.000 0.479 415 N N -1.552 117.190 118.700 0.071 0.000 2.776 415 N HA -0.133 4.607 4.740 -0.000 0.000 0.250 415 N C -0.532 174.992 175.510 0.024 0.000 1.112 415 N CA 0.386 53.487 53.050 0.085 0.000 0.733 415 N CB -1.476 37.062 38.487 0.085 0.000 1.097 415 N HN 0.519 nan 8.380 nan 0.000 0.558 416 L N 0.484 121.706 121.223 -0.002 0.000 2.418 416 L HA 0.384 4.724 4.340 -0.000 0.000 0.265 416 L C 1.463 178.309 176.870 -0.040 0.000 1.143 416 L CA -0.135 54.687 54.840 -0.030 0.000 0.809 416 L CB 0.758 42.787 42.059 -0.050 0.000 1.124 416 L HN 0.184 nan 8.230 nan 0.000 0.456 417 T N -2.401 112.119 114.554 -0.057 0.000 2.937 417 T HA 0.291 4.641 4.350 -0.000 0.000 0.283 417 T C 1.140 175.773 174.700 -0.110 0.000 1.012 417 T CA -0.322 61.734 62.100 -0.073 0.000 0.997 417 T CB 1.572 70.403 68.868 -0.061 0.000 1.136 417 T HN 0.415 nan 8.240 nan 0.000 0.551 418 V N -0.018 119.806 119.914 -0.151 0.000 2.594 418 V HA -0.046 4.074 4.120 -0.000 0.000 0.253 418 V C 2.234 178.201 176.094 -0.211 0.000 1.069 418 V CA 1.338 63.498 62.300 -0.233 0.000 1.082 418 V CB -1.491 30.069 31.823 -0.439 0.000 0.680 418 V HN 0.802 nan 8.190 nan 0.000 0.469 419 L N 0.189 121.321 121.223 -0.152 0.000 2.275 419 L HA -0.050 4.290 4.340 -0.000 0.000 0.215 419 L C 2.290 179.084 176.870 -0.127 0.000 1.119 419 L CA 1.431 56.199 54.840 -0.120 0.000 0.790 419 L CB -0.752 41.268 42.059 -0.065 0.000 0.919 419 L HN 0.331 nan 8.230 nan 0.000 0.443 420 D N 0.015 120.341 120.400 -0.123 0.000 2.249 420 D HA -0.025 4.615 4.640 -0.000 0.000 0.205 420 D C 2.417 178.626 176.300 -0.151 0.000 0.962 420 D CA 0.697 54.629 54.000 -0.114 0.000 0.860 420 D CB 0.145 40.894 40.800 -0.084 0.000 0.955 420 D HN 0.294 nan 8.370 nan 0.000 0.505 421 L N 0.996 122.109 121.223 -0.183 0.000 2.042 421 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 421 L C -0.510 176.194 176.870 -0.277 0.000 1.076 421 L CA 1.322 56.041 54.840 -0.202 0.000 0.749 421 L CB -1.688 40.251 42.059 -0.200 0.000 0.893 421 L HN 0.017 nan 8.230 nan 0.000 0.432 422 P HA -0.157 nan 4.420 nan 0.000 0.222 422 P C 0.713 177.811 177.300 -0.336 0.000 1.147 422 P CA 1.337 64.027 63.100 -0.683 0.000 0.790 422 P CB 0.011 31.023 31.700 -1.146 0.000 0.780 423 D N -1.560 118.715 120.400 -0.208 0.000 2.340 423 D HA 0.063 4.703 4.640 -0.000 0.000 0.217 423 D C 0.081 176.334 176.300 -0.079 0.000 1.081 423 D CA 0.008 53.943 54.000 -0.107 0.000 0.842 423 D CB -0.427 40.326 40.800 -0.078 0.000 0.934 423 D HN 0.050 nan 8.370 nan 0.000 0.511 424 L N 1.798 122.965 121.223 -0.094 0.000 2.385 424 L HA 0.188 4.528 4.340 -0.000 0.000 0.281 424 L C 0.583 177.428 176.870 -0.042 0.000 1.106 424 L CA -0.151 54.650 54.840 -0.065 0.000 0.856 424 L CB 0.648 42.663 42.059 -0.074 0.000 1.186 424 L HN 0.050 nan 8.230 nan 0.000 0.453 425 E N 5.218 125.404 120.200 -0.025 0.000 1.932 425 E HA 0.290 4.640 4.350 -0.000 0.000 0.275 425 E C -0.714 175.885 176.600 -0.001 0.000 1.159 425 E CA -0.305 56.092 56.400 -0.005 0.000 0.905 425 E CB 0.427 30.128 29.700 0.001 0.000 1.059 425 E HN 0.508 nan 8.360 nan 0.000 0.400 426 L N 2.138 123.367 121.223 0.010 0.000 2.397 426 L HA 0.394 4.734 4.340 -0.000 0.000 0.266 426 L C 0.259 177.155 176.870 0.043 0.000 1.040 426 L CA -1.204 53.645 54.840 0.014 0.000 0.800 426 L CB 1.623 43.688 42.059 0.009 0.000 1.324 426 L HN 0.342 nan 8.230 nan 0.000 0.469 427 S N 0.122 115.842 115.700 0.032 0.000 2.422 427 S HA 0.228 4.698 4.470 -0.000 0.000 0.283 427 S C -0.875 173.805 174.600 0.134 0.000 1.163 427 S CA -0.173 58.042 58.200 0.025 0.000 1.054 427 S CB -0.246 62.911 63.200 -0.072 0.000 0.967 427 S HN 0.405 nan 8.310 nan 0.000 0.499 428 Y N 2.790 123.092 120.300 0.003 0.000 2.345 428 Y HA 0.594 5.144 4.550 -0.000 0.000 0.331 428 Y C -0.323 175.611 175.900 0.056 0.000 0.959 428 Y CA -0.658 57.468 58.100 0.044 0.000 1.204 428 Y CB 0.317 38.804 38.460 0.046 0.000 1.135 428 Y HN 0.752 nan 8.280 nan 0.000 0.477 429 A N 6.385 129.068 122.820 -0.229 0.000 2.566 429 A HA 0.589 4.909 4.320 -0.000 0.000 0.292 429 A C -2.537 174.853 177.584 -0.323 0.000 1.112 429 A CA -1.926 49.833 52.037 -0.464 0.000 0.707 429 A CB 1.435 20.363 19.000 -0.120 0.000 1.302 429 A HN 0.527 nan 8.150 nan 0.000 0.409 430 P HA -0.101 nan 4.420 nan 0.000 0.216 430 P C -1.584 175.178 177.300 -0.896 0.000 1.150 430 P CA 1.867 64.724 63.100 -0.404 0.000 0.843 430 P CB -0.688 30.861 31.700 -0.253 0.000 0.787 431 P HA -0.087 nan 4.420 nan 0.000 0.226 431 P C 0.678 177.329 177.300 -1.082 0.000 1.153 431 P CA 1.319 63.475 63.100 -1.573 0.000 0.777 431 P CB -0.347 30.419 31.700 -1.556 0.000 0.794 432 Y N -2.469 117.698 120.300 -0.221 0.000 2.581 432 Y HA 0.365 4.915 4.550 -0.000 0.000 0.271 432 Y C 1.482 177.444 175.900 0.103 0.000 1.100 432 Y CA 0.197 58.285 58.100 -0.019 0.000 1.281 432 Y CB 0.285 38.724 38.460 -0.034 0.000 1.237 432 Y HN -0.141 nan 8.280 nan 0.000 0.514 433 S N -1.868 114.014 115.700 0.303 0.000 2.761 433 S HA 0.665 5.135 4.470 -0.000 0.000 0.290 433 S C -1.187 173.549 174.600 0.226 0.000 1.222 433 S CA -0.546 57.805 58.200 0.251 0.000 0.954 433 S CB 0.610 63.945 63.200 0.225 0.000 1.281 433 S HN -0.051 nan 8.310 nan 0.000 0.527 434 S N 0.296 115.960 115.700 -0.061 0.000 2.709 434 S HA 0.726 5.196 4.470 -0.000 0.000 0.302 434 S C 1.128 175.161 174.600 -0.946 0.000 1.127 434 S CA -0.100 57.837 58.200 -0.439 0.000 0.905 434 S CB 1.274 64.360 63.200 -0.189 0.000 1.151 434 S HN 1.068 nan 8.310 nan 0.000 0.510 435 A N 0.601 122.747 122.820 -1.123 0.000 2.024 435 A HA -0.057 4.263 4.320 -0.000 0.000 0.220 435 A C 0.494 177.910 177.584 -0.279 0.000 1.164 435 A CA 1.433 53.027 52.037 -0.739 0.000 0.643 435 A CB -0.363 18.438 19.000 -0.332 0.000 0.806 435 A HN 0.631 nan 8.150 nan 0.000 0.451 436 K N 0.700 120.987 120.400 -0.188 0.000 2.425 436 K HA 0.334 4.654 4.320 -0.000 0.000 0.259 436 K C -1.403 175.164 176.600 -0.054 0.000 0.978 436 K CA -0.565 55.698 56.287 -0.040 0.000 0.883 436 K CB 1.553 34.089 32.500 0.060 0.000 1.110 436 K HN 0.291 nan 8.250 nan 0.000 0.436 437 D N 2.899 123.277 120.400 -0.036 0.000 2.400 437 D HA 0.009 4.649 4.640 -0.000 0.000 0.238 437 D C -1.484 174.810 176.300 -0.010 0.000 1.157 437 D CA -1.450 52.536 54.000 -0.022 0.000 0.889 437 D CB 0.926 41.720 40.800 -0.009 0.000 1.199 437 D HN 0.170 nan 8.370 nan 0.000 0.436 438 P HA -0.215 nan 4.420 nan 0.000 0.217 438 P C 1.250 178.537 177.300 -0.022 0.000 1.151 438 P CA 0.776 63.868 63.100 -0.013 0.000 0.849 438 P CB 0.151 31.840 31.700 -0.018 0.000 0.787 439 V N -0.989 118.905 119.914 -0.033 0.000 2.295 439 V HA -0.238 3.881 4.120 -0.000 0.000 0.246 439 V C 1.195 177.237 176.094 -0.086 0.000 1.049 439 V CA 1.464 63.730 62.300 -0.057 0.000 1.024 439 V CB -1.439 30.348 31.823 -0.060 0.000 0.648 439 V HN 0.215 nan 8.190 nan 0.000 0.447 443 G N -0.274 108.430 108.800 -0.161 0.000 2.440 443 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 443 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 443 G C 1.141 175.893 174.900 -0.246 0.000 1.154 443 G CA 1.896 46.842 45.100 -0.257 0.000 0.767 443 G HN 0.584 nan 8.290 nan 0.000 0.552 444 Y N 1.256 121.476 120.300 -0.132 0.000 2.181 444 Y HA 0.046 4.595 4.550 -0.000 0.000 0.288 444 Y C 3.152 178.946 175.900 -0.177 0.000 1.146 444 Y CA 0.777 58.795 58.100 -0.135 0.000 1.164 444 Y CB -0.602 37.783 38.460 -0.124 0.000 0.982 444 Y HN 0.265 nan 8.280 nan 0.000 0.515 445 A N -0.077 122.724 122.820 -0.031 0.000 1.902 445 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 445 A C 2.448 179.974 177.584 -0.097 0.000 1.181 445 A CA 1.896 53.863 52.037 -0.116 0.000 0.623 445 A CB -1.234 17.721 19.000 -0.075 0.000 0.818 445 A HN 0.394 nan 8.150 nan 0.000 0.443 446 A N -0.747 121.953 122.820 -0.200 0.000 1.930 446 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 446 A C 2.410 179.781 177.584 -0.356 0.000 1.175 446 A CA 1.921 53.662 52.037 -0.493 0.000 0.627 446 A CB -0.773 17.616 19.000 -1.017 0.000 0.815 446 A HN 0.436 nan 8.150 nan 0.000 0.443 447 S N 0.647 116.221 115.700 -0.209 0.000 2.399 447 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 447 S C 1.828 176.481 174.600 0.088 0.000 1.022 447 S CA 1.172 59.332 58.200 -0.067 0.000 0.983 447 S CB -0.410 62.772 63.200 -0.031 0.000 0.803 447 S HN 0.641 nan 8.310 nan 0.000 0.480 448 N N 1.389 120.155 118.700 0.111 0.000 2.223 448 N HA 0.048 4.788 4.740 -0.000 0.000 0.185 448 N C 1.567 177.225 175.510 0.247 0.000 1.016 448 N CA 0.841 54.047 53.050 0.260 0.000 0.863 448 N CB -0.281 38.285 38.487 0.132 0.000 0.983 448 N HN 0.413 nan 8.380 nan 0.000 0.429 449 I N 0.110 120.787 120.570 0.178 0.000 2.193 449 I HA -0.176 3.994 4.170 -0.000 0.000 0.240 449 I C 2.119 178.348 176.117 0.187 0.000 1.084 449 I CA 0.558 61.989 61.300 0.217 0.000 1.365 449 I CB -0.264 37.942 38.000 0.343 0.000 1.064 449 I HN -0.137 nan 8.210 nan 0.000 0.410 450 V N 0.971 120.991 119.914 0.177 0.000 2.282 450 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 450 V C 1.760 177.890 176.094 0.060 0.000 1.057 450 V CA 2.083 64.459 62.300 0.128 0.000 1.032 450 V CB -0.645 31.222 31.823 0.074 0.000 0.645 450 V HN 0.431 nan 8.190 nan 0.000 0.447 451 D N -0.370 120.064 120.400 0.057 0.000 2.363 451 D HA 0.116 4.756 4.640 -0.000 0.000 0.220 451 D C 1.745 177.891 176.300 -0.257 0.000 0.994 451 D CA 1.103 55.066 54.000 -0.061 0.000 0.890 451 D CB 0.131 40.968 40.800 0.063 0.000 0.906 451 D HN 0.570 nan 8.370 nan 0.000 0.530 452 G N 0.568 109.309 108.800 -0.098 0.000 2.147 452 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.244 452 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.244 452 G C 0.644 175.467 174.900 -0.130 0.000 1.005 452 G CA 0.020 45.056 45.100 -0.106 0.000 0.713 452 G HN 0.284 nan 8.290 nan 0.000 0.515 453 F N -0.746 119.269 119.950 0.107 0.000 2.558 453 F HA 0.482 5.009 4.527 -0.000 0.000 0.298 453 F C 1.449 177.350 175.800 0.168 0.000 1.119 453 F CA 0.959 59.038 58.000 0.132 0.000 1.451 453 F CB 0.586 39.688 39.000 0.171 0.000 1.091 453 F HN 0.244 nan 8.300 nan 0.000 0.563 454 V N -0.666 119.445 119.914 0.328 0.000 2.969 454 V HA 0.399 4.519 4.120 -0.000 0.000 0.304 454 V C -1.737 174.469 176.094 0.188 0.000 1.192 454 V CA -0.779 61.688 62.300 0.277 0.000 0.962 454 V CB 2.269 34.342 31.823 0.417 0.000 1.045 454 V HN -0.150 nan 8.190 nan 0.000 0.428 455 D N 2.487 122.972 120.400 0.142 0.000 2.342 455 D HA 0.818 5.458 4.640 -0.000 0.000 0.243 455 D C -0.475 175.898 176.300 0.121 0.000 1.019 455 D CA 0.249 54.315 54.000 0.109 0.000 0.864 455 D CB 2.379 43.218 40.800 0.064 0.000 1.315 455 D HN 0.897 nan 8.370 nan 0.000 0.468 456 T N -0.988 113.641 114.554 0.125 0.000 2.896 456 T HA 0.731 5.081 4.350 -0.000 0.000 0.297 456 T C -0.362 174.414 174.700 0.127 0.000 1.108 456 T CA -0.762 61.423 62.100 0.142 0.000 1.004 456 T CB 1.112 70.077 68.868 0.163 0.000 1.159 456 T HN 0.343 nan 8.240 nan 0.000 0.499 457 V N -1.083 118.910 119.914 0.132 0.000 3.102 457 V HA 0.762 4.882 4.120 -0.000 0.000 0.312 457 V C -0.945 175.153 176.094 0.006 0.000 1.135 457 V CA -1.136 61.201 62.300 0.063 0.000 1.022 457 V CB 1.916 33.794 31.823 0.093 0.000 1.056 457 V HN 0.970 nan 8.190 nan 0.000 0.436 458 Q N 1.797 121.491 119.800 -0.176 0.000 2.193 458 Q HA 0.277 4.617 4.340 -0.000 0.000 0.246 458 Q C 1.144 176.963 176.000 -0.301 0.000 0.959 458 Q CA -0.329 55.291 55.803 -0.304 0.000 0.904 458 Q CB 1.428 29.688 28.738 -0.796 0.000 1.238 458 Q HN 1.089 nan 8.270 nan 0.000 0.469 459 W N 2.013 123.261 121.300 -0.087 0.000 2.313 459 W HA -0.257 4.403 4.660 -0.000 0.000 0.293 459 W C 0.975 177.541 176.519 0.079 0.000 1.216 459 W CA 1.966 59.352 57.345 0.069 0.000 1.223 459 W CB -0.913 28.565 29.460 0.029 0.000 1.138 459 W HN 0.854 nan 8.180 nan 0.000 0.535 460 H N -0.965 117.577 119.070 -0.880 0.000 2.539 460 H HA 0.289 4.845 4.556 -0.000 0.000 0.267 460 H C 1.401 176.515 175.328 -0.357 0.000 0.982 460 H CA 1.056 56.605 56.048 -0.832 0.000 1.146 460 H CB -0.665 28.197 29.762 -1.500 0.000 1.382 460 H HN 0.274 nan 8.280 nan 0.000 0.577 461 E N -0.286 119.691 120.200 -0.372 0.000 2.372 461 E HA 0.066 4.416 4.350 -0.000 0.000 0.201 461 E C 1.302 177.821 176.600 -0.134 0.000 0.938 461 E CA 0.208 56.492 56.400 -0.193 0.000 0.944 461 E CB 0.237 29.792 29.700 -0.241 0.000 0.937 461 E HN 0.296 nan 8.360 nan 0.000 0.495 462 I N 2.422 122.932 120.570 -0.101 0.000 2.226 462 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 462 I C 1.489 177.537 176.117 -0.115 0.000 1.100 462 I CA 1.656 62.880 61.300 -0.126 0.000 1.374 462 I CB -0.124 37.827 38.000 -0.081 0.000 1.057 462 I HN -0.005 nan 8.210 nan 0.000 0.413 463 D N 0.025 120.420 120.400 -0.008 0.000 2.097 463 D HA -0.232 4.408 4.640 -0.000 0.000 0.195 463 D C 2.291 178.568 176.300 -0.039 0.000 0.989 463 D CA 1.255 55.255 54.000 0.000 0.000 0.827 463 D CB -0.316 40.540 40.800 0.093 0.000 0.966 463 D HN 0.344 nan 8.370 nan 0.000 0.456 464 R N 0.527 121.003 120.500 -0.040 0.000 2.091 464 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 464 R C 2.549 178.798 176.300 -0.084 0.000 1.136 464 R CA 0.795 56.867 56.100 -0.048 0.000 0.959 464 R CB -0.297 29.979 30.300 -0.039 0.000 0.856 464 R HN 0.124 nan 8.270 nan 0.000 0.437 465 I N -0.096 120.385 120.570 -0.149 0.000 2.163 465 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 465 I C 2.100 178.089 176.117 -0.214 0.000 1.085 465 I CA 1.219 62.372 61.300 -0.244 0.000 1.347 465 I CB -0.118 37.580 38.000 -0.503 0.000 1.044 465 I HN 0.063 nan 8.210 nan 0.000 0.408 466 V N 0.322 120.122 119.914 -0.191 0.000 2.358 466 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 466 V C 2.309 178.365 176.094 -0.064 0.000 1.047 466 V CA 1.728 63.952 62.300 -0.126 0.000 1.035 466 V CB -0.652 31.097 31.823 -0.123 0.000 0.658 466 V HN 0.426 nan 8.190 nan 0.000 0.452 467 E N 0.522 120.691 120.200 -0.052 0.000 2.118 467 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 467 E C 1.548 178.138 176.600 -0.016 0.000 0.992 467 E CA 1.269 57.654 56.400 -0.025 0.000 0.804 467 E CB -0.198 29.491 29.700 -0.018 0.000 0.741 467 E HN 0.577 nan 8.360 nan 0.000 0.458 468 N N -0.633 118.052 118.700 -0.024 0.000 2.383 468 N HA 0.007 4.746 4.740 -0.000 0.000 0.192 468 N C 0.801 176.320 175.510 0.016 0.000 1.141 468 N CA 0.914 53.960 53.050 -0.006 0.000 0.851 468 N CB 1.275 39.755 38.487 -0.012 0.000 0.976 468 N HN 0.294 nan 8.380 nan 0.000 0.465 469 G N -0.736 108.076 108.800 0.020 0.000 2.168 469 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.197 469 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.197 469 G C 0.429 175.394 174.900 0.109 0.000 0.997 469 G CA -0.288 44.849 45.100 0.062 0.000 0.658 469 G HN 0.541 nan 8.290 nan 0.000 0.513 470 G N -0.348 108.493 108.800 0.068 0.000 2.441 470 G HA2 0.415 4.375 3.960 -0.000 0.000 0.243 470 G HA3 0.415 4.375 3.960 -0.000 0.000 0.243 470 G C -0.405 174.618 174.900 0.205 0.000 1.281 470 G CA -0.195 44.997 45.100 0.152 0.000 0.854 470 G HN 0.661 nan 8.290 nan 0.000 0.560 471 Y N 3.094 123.524 120.300 0.217 0.000 2.504 471 Y HA 0.416 4.965 4.550 -0.000 0.000 0.339 471 Y C -0.232 175.758 175.900 0.150 0.000 0.974 471 Y CA -1.059 57.119 58.100 0.129 0.000 1.232 471 Y CB 1.133 39.646 38.460 0.088 0.000 1.108 471 Y HN 0.413 nan 8.280 nan 0.000 0.509 472 L N 7.815 128.943 121.223 -0.159 0.000 2.260 472 L HA 0.488 4.828 4.340 -0.000 0.000 0.289 472 L C -1.036 175.728 176.870 -0.178 0.000 1.057 472 L CA -0.234 54.557 54.840 -0.082 0.000 0.811 472 L CB 0.231 42.223 42.059 -0.110 0.000 1.184 472 L HN 0.513 nan 8.230 nan 0.000 0.429 473 I N 4.740 125.288 120.570 -0.036 0.000 2.330 473 I HA 0.248 4.418 4.170 -0.000 0.000 0.289 473 I C -0.404 175.697 176.117 -0.027 0.000 1.001 473 I CA -0.586 60.695 61.300 -0.032 0.000 1.193 473 I CB 1.429 39.451 38.000 0.037 0.000 1.345 473 I HN 0.510 nan 8.210 nan 0.000 0.461 474 D N 6.613 126.981 120.400 -0.053 0.000 2.365 474 D HA 0.110 4.750 4.640 -0.000 0.000 0.237 474 D C 0.750 177.030 176.300 -0.033 0.000 1.190 474 D CA -0.258 53.713 54.000 -0.048 0.000 0.867 474 D CB 1.687 42.434 40.800 -0.087 0.000 1.050 474 D HN 0.390 nan 8.370 nan 0.000 0.491 475 V N 2.169 122.075 119.914 -0.012 0.000 3.577 475 V HA 0.278 4.398 4.120 -0.000 0.000 0.294 475 V C 0.955 177.045 176.094 -0.007 0.000 1.317 475 V CA -0.293 62.002 62.300 -0.009 0.000 1.169 475 V CB -0.822 31.000 31.823 -0.002 0.000 1.011 475 V HN 0.246 nan 8.190 nan 0.000 0.426 476 R N 0.965 121.456 120.500 -0.016 0.000 2.726 476 R HA 0.324 4.664 4.340 -0.000 0.000 0.272 476 R C 0.238 176.525 176.300 -0.022 0.000 1.097 476 R CA -0.478 55.613 56.100 -0.016 0.000 1.198 476 R CB 0.419 30.699 30.300 -0.033 0.000 1.114 476 R HN 0.379 nan 8.270 nan 0.000 0.550 477 E N 1.587 121.777 120.200 -0.015 0.000 2.383 477 E HA 0.028 4.378 4.350 -0.000 0.000 0.264 477 E C -1.655 174.929 176.600 -0.027 0.000 1.050 477 E CA -1.666 54.725 56.400 -0.016 0.000 0.896 477 E CB 0.672 30.368 29.700 -0.006 0.000 0.982 477 E HN 0.348 nan 8.360 nan 0.000 0.424 478 P HA -0.141 nan 4.420 nan 0.000 0.218 478 P C 0.388 177.668 177.300 -0.033 0.000 1.146 478 P CA 1.276 64.357 63.100 -0.032 0.000 0.813 478 P CB 0.287 31.974 31.700 -0.022 0.000 0.778 479 N N -0.337 118.349 118.700 -0.022 0.000 2.331 479 N HA -0.113 4.627 4.740 -0.000 0.000 0.180 479 N C 1.397 176.893 175.510 -0.022 0.000 1.019 479 N CA 0.854 53.894 53.050 -0.016 0.000 0.881 479 N CB -0.713 37.771 38.487 -0.006 0.000 0.972 479 N HN 0.330 nan 8.380 nan 0.000 0.435 480 E N -0.011 120.169 120.200 -0.033 0.000 2.347 480 E HA -0.044 4.306 4.350 -0.000 0.000 0.196 480 E C 0.865 177.399 176.600 -0.110 0.000 1.008 480 E CA 0.341 56.713 56.400 -0.046 0.000 0.852 480 E CB -0.018 29.660 29.700 -0.037 0.000 0.783 480 E HN 0.228 nan 8.360 nan 0.000 0.505 481 L N 1.125 122.276 121.223 -0.120 0.000 2.376 481 L HA -0.111 4.229 4.340 -0.000 0.000 0.219 481 L C 1.885 178.676 176.870 -0.131 0.000 1.133 481 L CA 1.386 56.117 54.840 -0.182 0.000 0.816 481 L CB -0.202 41.775 42.059 -0.138 0.000 0.933 481 L HN -0.032 nan 8.230 nan 0.000 0.449 482 K N -0.616 119.757 120.400 -0.046 0.000 2.148 482 K HA -0.171 4.149 4.320 -0.000 0.000 0.204 482 K C 1.869 178.530 176.600 0.102 0.000 1.050 482 K CA 1.010 57.319 56.287 0.037 0.000 0.942 482 K CB -0.114 32.406 32.500 0.034 0.000 0.724 482 K HN 0.476 nan 8.250 nan 0.000 0.446 483 Q N 0.031 119.851 119.800 0.034 0.000 2.368 483 Q HA -0.045 4.295 4.340 -0.000 0.000 0.210 483 Q C 0.752 176.793 176.000 0.069 0.000 0.982 483 Q CA 0.671 56.540 55.803 0.110 0.000 0.884 483 Q CB 0.035 28.833 28.738 0.100 0.000 0.933 483 Q HN 0.406 nan 8.270 nan 0.000 0.460 487 K N 3.290 123.631 120.400 -0.100 0.000 2.524 487 K HA 0.254 4.574 4.320 -0.000 0.000 0.279 487 K C 1.120 177.661 176.600 -0.097 0.000 0.993 487 K CA 1.709 57.956 56.287 -0.067 0.000 1.030 487 K CB 0.342 32.832 32.500 -0.016 0.000 0.891 487 K HN 0.996 nan 8.250 nan 0.000 0.488 488 G N 2.021 110.765 108.800 -0.094 0.000 2.176 488 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.253 488 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.253 488 G C -0.016 174.782 174.900 -0.171 0.000 0.979 488 G CA 0.286 45.316 45.100 -0.117 0.000 0.641 488 G HN 0.616 nan 8.290 nan 0.000 0.530 489 S N -0.206 115.397 115.700 -0.162 0.000 2.572 489 S HA 0.591 5.061 4.470 -0.000 0.000 0.279 489 S C 0.152 174.642 174.600 -0.183 0.000 1.341 489 S CA 0.283 58.376 58.200 -0.178 0.000 1.043 489 S CB 1.062 64.170 63.200 -0.154 0.000 0.887 489 S HN 0.407 nan 8.310 nan 0.000 0.516 490 I N 2.840 123.285 120.570 -0.207 0.000 2.465 490 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 490 I C 0.196 176.258 176.117 -0.093 0.000 1.014 490 I CA -0.159 61.049 61.300 -0.154 0.000 1.093 490 I CB 1.730 39.611 38.000 -0.198 0.000 1.267 490 I HN 0.556 nan 8.210 nan 0.000 0.431 491 N N 7.415 126.078 118.700 -0.062 0.000 2.439 491 N HA 0.480 5.220 4.740 -0.000 0.000 0.249 491 N C -1.300 174.196 175.510 -0.024 0.000 1.003 491 N CA -0.260 52.761 53.050 -0.048 0.000 0.942 491 N CB 0.694 39.149 38.487 -0.054 0.000 1.115 491 N HN 0.472 nan 8.380 nan 0.000 0.505 492 I N 4.793 125.352 120.570 -0.019 0.000 2.493 492 I HA 0.299 4.468 4.170 -0.000 0.000 0.279 492 I C -2.378 173.730 176.117 -0.016 0.000 1.045 492 I CA -2.177 59.116 61.300 -0.012 0.000 1.106 492 I CB 1.906 39.903 38.000 -0.005 0.000 1.216 492 I HN 0.297 nan 8.210 nan 0.000 0.459 493 P HA -0.004 nan 4.420 nan 0.000 0.264 493 P C 1.152 178.444 177.300 -0.013 0.000 1.183 493 P CA 0.006 63.097 63.100 -0.014 0.000 0.763 493 P CB 0.949 32.642 31.700 -0.012 0.000 0.807 494 L N 2.798 124.014 121.223 -0.011 0.000 2.034 494 L HA -0.271 4.069 4.340 -0.000 0.000 0.217 494 L C 1.109 177.970 176.870 -0.016 0.000 1.077 494 L CA 2.085 56.916 54.840 -0.014 0.000 0.769 494 L CB -0.363 41.692 42.059 -0.007 0.000 0.890 494 L HN 0.425 nan 8.230 nan 0.000 0.435 495 D N -0.668 119.726 120.400 -0.010 0.000 2.348 495 D HA -0.126 4.514 4.640 -0.000 0.000 0.216 495 D C 1.726 178.020 176.300 -0.010 0.000 0.970 495 D CA 0.809 54.804 54.000 -0.009 0.000 0.889 495 D CB 0.190 40.987 40.800 -0.005 0.000 0.912 495 D HN 0.580 nan 8.370 nan 0.000 0.524 496 E N -0.211 119.983 120.200 -0.011 0.000 2.431 496 E HA 0.006 4.356 4.350 -0.000 0.000 0.200 496 E C 1.796 178.387 176.600 -0.014 0.000 0.995 496 E CA -0.286 56.108 56.400 -0.010 0.000 0.915 496 E CB 0.334 30.029 29.700 -0.008 0.000 0.930 496 E HN 0.011 nan 8.360 nan 0.000 0.496 497 L N 1.777 122.987 121.223 -0.020 0.000 2.043 497 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 497 L C 2.245 179.097 176.870 -0.029 0.000 1.075 497 L CA 1.844 56.666 54.840 -0.031 0.000 0.752 497 L CB -0.255 41.778 42.059 -0.042 0.000 0.891 497 L HN -0.053 nan 8.230 nan 0.000 0.432 498 R N -0.766 119.721 120.500 -0.022 0.000 2.152 498 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 498 R C 1.270 177.568 176.300 -0.004 0.000 1.117 498 R CA 1.538 57.631 56.100 -0.012 0.000 0.981 498 R CB -0.158 30.135 30.300 -0.010 0.000 0.870 498 R HN 0.494 nan 8.270 nan 0.000 0.451 499 D N -0.578 119.819 120.400 -0.005 0.000 2.349 499 D HA -0.004 4.635 4.640 -0.000 0.000 0.215 499 D C 0.548 176.848 176.300 0.000 0.000 1.016 499 D CA 0.645 54.645 54.000 -0.001 0.000 0.870 499 D CB 0.341 41.140 40.800 -0.002 0.000 0.917 499 D HN 0.188 nan 8.370 nan 0.000 0.524 500 R N 0.116 120.613 120.500 -0.005 0.000 2.662 500 R HA 0.309 4.648 4.340 -0.000 0.000 0.396 500 R C 1.547 177.841 176.300 -0.009 0.000 1.096 500 R CA -0.100 55.998 56.100 -0.004 0.000 1.081 500 R CB 0.480 30.776 30.300 -0.005 0.000 1.382 500 R HN 0.018 nan 8.270 nan 0.000 0.580 501 L N 0.612 121.833 121.223 -0.003 0.000 2.261 501 L HA -0.168 4.171 4.340 -0.000 0.000 0.216 501 L C 2.145 179.032 176.870 0.029 0.000 1.114 501 L CA 1.419 56.259 54.840 -0.001 0.000 0.777 501 L CB -0.194 41.898 42.059 0.056 0.000 0.910 501 L HN 0.352 nan 8.230 nan 0.000 0.440 502 E N 0.326 120.544 120.200 0.029 0.000 2.333 502 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 502 E C 1.686 178.292 176.600 0.011 0.000 1.007 502 E CA 0.752 57.169 56.400 0.029 0.000 0.845 502 E CB 0.195 29.907 29.700 0.020 0.000 0.766 502 E HN 0.523 nan 8.360 nan 0.000 0.507 503 E N -0.440 119.760 120.200 -0.001 0.000 2.442 503 E HA 0.000 4.350 4.350 -0.000 0.000 0.195 503 E C -0.268 176.310 176.600 -0.037 0.000 1.030 503 E CA -0.053 56.344 56.400 -0.004 0.000 0.869 503 E CB 0.801 30.509 29.700 0.014 0.000 0.857 503 E HN 0.010 nan 8.360 nan 0.000 0.505 504 V N 4.665 124.537 119.914 -0.071 0.000 2.389 504 V HA 0.115 4.234 4.120 -0.000 0.000 0.264 504 V C -2.020 174.006 176.094 -0.113 0.000 1.049 504 V CA -1.652 60.551 62.300 -0.162 0.000 0.932 504 V CB 0.328 31.937 31.823 -0.357 0.000 1.011 504 V HN 0.042 nan 8.190 nan 0.000 0.475 505 P HA 0.079 nan 4.420 nan 0.000 0.268 505 P C 0.492 177.802 177.300 0.016 0.000 1.204 505 P CA 0.111 63.103 63.100 -0.179 0.000 0.768 505 P CB 1.182 32.643 31.700 -0.399 0.000 0.842 506 V N 0.561 120.509 119.914 0.057 0.000 3.647 506 V HA -0.002 4.118 4.120 -0.000 0.000 0.279 506 V C 1.081 177.177 176.094 0.003 0.000 1.314 506 V CA 0.853 63.193 62.300 0.066 0.000 1.125 506 V CB -1.001 30.804 31.823 -0.029 0.000 0.907 506 V HN 0.534 nan 8.190 nan 0.000 0.434 507 D N -0.784 119.607 120.400 -0.013 0.000 2.440 507 D HA 0.175 4.815 4.640 -0.000 0.000 0.216 507 D C 0.343 176.642 176.300 -0.002 0.000 1.150 507 D CA -0.067 53.925 54.000 -0.013 0.000 0.832 507 D CB 0.336 41.126 40.800 -0.018 0.000 0.992 507 D HN 0.342 nan 8.370 nan 0.000 0.502 508 K N 0.131 120.530 120.400 -0.001 0.000 2.426 508 K HA 0.307 4.627 4.320 -0.000 0.000 0.251 508 K C -1.388 175.251 176.600 0.065 0.000 0.941 508 K CA -0.879 55.430 56.287 0.036 0.000 0.808 508 K CB 1.852 34.363 32.500 0.018 0.000 1.265 508 K HN -0.207 nan 8.250 nan 0.000 0.432 509 D N 2.307 122.771 120.400 0.106 0.000 2.371 509 D HA 0.110 4.749 4.640 -0.000 0.000 0.256 509 D C -0.073 176.259 176.300 0.053 0.000 1.193 509 D CA 0.050 54.086 54.000 0.059 0.000 0.881 509 D CB 0.465 41.334 40.800 0.115 0.000 1.143 509 D HN 0.195 nan 8.370 nan 0.000 0.473 510 I N 3.037 123.542 120.570 -0.108 0.000 2.396 510 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 510 I C -0.196 175.708 176.117 -0.354 0.000 0.999 510 I CA -0.505 60.763 61.300 -0.055 0.000 1.310 510 I CB 0.018 37.991 38.000 -0.045 0.000 1.404 510 I HN 0.262 nan 8.210 nan 0.000 0.496 511 Y N 5.187 125.533 120.300 0.077 0.000 2.425 511 Y HA 0.545 5.095 4.550 -0.000 0.000 0.344 511 Y C 0.067 175.981 175.900 0.023 0.000 0.969 511 Y CA -0.804 57.321 58.100 0.041 0.000 1.052 511 Y CB 2.180 40.653 38.460 0.022 0.000 1.215 511 Y HN 0.253 nan 8.280 nan 0.000 0.451 512 I N 2.411 123.067 120.570 0.143 0.000 2.433 512 I HA 0.388 4.558 4.170 -0.000 0.000 0.292 512 I C -0.199 175.975 176.117 0.095 0.000 1.001 512 I CA -0.430 60.922 61.300 0.086 0.000 1.119 512 I CB 1.845 39.875 38.000 0.050 0.000 1.289 512 I HN 0.561 nan 8.210 nan 0.000 0.438 513 T N 5.187 119.779 114.554 0.064 0.000 2.876 513 T HA 0.639 4.989 4.350 -0.000 0.000 0.289 513 T C -0.041 174.696 174.700 0.062 0.000 1.014 513 T CA -0.346 61.797 62.100 0.072 0.000 0.986 513 T CB 1.084 69.985 68.868 0.055 0.000 1.021 513 T HN 0.890 nan 8.240 nan 0.000 0.458 514 C N 3.441 122.795 119.300 0.090 0.000 3.925 514 C HA 0.707 5.167 4.460 -0.000 0.000 0.259 514 C C 1.598 176.665 174.990 0.128 0.000 3.437 514 C CA -0.197 58.871 59.018 0.082 0.000 1.834 514 C CB 0.480 28.265 27.740 0.075 0.000 3.946 514 C HN 0.793 nan 8.230 nan 0.000 0.494 515 Q N -0.083 119.793 119.800 0.126 0.000 2.084 515 Q HA 0.360 4.700 4.340 -0.000 0.000 0.194 515 Q C 1.556 177.654 176.000 0.163 0.000 0.969 515 Q CA 1.749 57.655 55.803 0.172 0.000 0.829 515 Q CB -0.341 28.477 28.738 0.133 0.000 0.904 515 Q HN 0.780 nan 8.270 nan 0.000 0.464 516 L N -0.719 120.581 121.223 0.128 0.000 2.590 516 L HA 0.441 4.781 4.340 -0.000 0.000 0.227 516 L C 0.681 177.625 176.870 0.124 0.000 1.099 516 L CA 0.113 55.023 54.840 0.118 0.000 0.872 516 L CB 0.407 42.523 42.059 0.095 0.000 1.088 516 L HN 0.389 nan 8.230 nan 0.000 0.479 520 G N 0.841 109.701 108.800 0.100 0.000 2.421 520 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.216 520 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.216 520 G C 1.108 176.076 174.900 0.114 0.000 1.171 520 G CA 1.347 46.506 45.100 0.098 0.000 0.775 520 G HN 0.297 nan 8.290 nan 0.000 0.543 521 Y N 1.470 121.801 120.300 0.051 0.000 2.128 521 Y HA -0.171 4.379 4.550 -0.000 0.000 0.284 521 Y C 2.761 178.679 175.900 0.030 0.000 1.154 521 Y CA 1.747 59.876 58.100 0.049 0.000 1.149 521 Y CB -0.537 37.955 38.460 0.054 0.000 0.976 521 Y HN 0.038 nan 8.280 nan 0.000 0.505 522 V N 0.829 120.610 119.914 -0.222 0.000 2.287 522 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 522 V C 2.766 178.730 176.094 -0.217 0.000 1.053 522 V CA 1.990 64.111 62.300 -0.299 0.000 1.027 522 V CB -1.717 30.045 31.823 -0.101 0.000 0.646 522 V HN 0.604 nan 8.190 nan 0.000 0.447 523 A N -0.087 122.665 122.820 -0.114 0.000 1.902 523 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 523 A C 2.440 179.966 177.584 -0.095 0.000 1.181 523 A CA 2.157 54.143 52.037 -0.085 0.000 0.623 523 A CB -0.811 18.162 19.000 -0.045 0.000 0.818 523 A HN 0.584 nan 8.150 nan 0.000 0.443 524 A N -0.201 122.564 122.820 -0.091 0.000 1.883 524 A HA -0.074 4.245 4.320 -0.000 0.000 0.217 524 A C 1.679 179.214 177.584 -0.082 0.000 1.186 524 A CA 0.877 52.879 52.037 -0.058 0.000 0.624 524 A CB -0.411 18.595 19.000 0.011 0.000 0.822 524 A HN 0.430 nan 8.150 nan 0.000 0.444 530 K N 1.077 121.535 120.400 0.096 0.000 2.525 530 K HA 0.171 4.491 4.320 -0.000 0.000 0.192 530 K C 1.040 177.617 176.600 -0.039 0.000 1.029 530 K CA 0.848 57.191 56.287 0.093 0.000 1.029 530 K CB 0.234 32.889 32.500 0.258 0.000 0.814 530 K HN 0.349 nan 8.250 nan 0.000 0.503 531 G N 1.142 109.927 108.800 -0.024 0.000 2.137 531 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.237 531 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.237 531 G C -0.386 174.396 174.900 -0.196 0.000 1.002 531 G CA -0.157 44.874 45.100 -0.114 0.000 0.702 531 G HN 0.262 nan 8.290 nan 0.000 0.515 532 Y N 0.006 120.289 120.300 -0.029 0.000 2.301 532 Y HA 0.522 5.071 4.550 -0.000 0.000 0.325 532 Y C 0.974 176.847 175.900 -0.045 0.000 1.203 532 Y CA -0.472 57.605 58.100 -0.039 0.000 1.255 532 Y CB 0.994 39.428 38.460 -0.042 0.000 1.232 532 Y HN 0.031 nan 8.280 nan 0.000 0.501 533 K N 2.769 123.226 120.400 0.096 0.000 2.276 533 K HA 0.509 4.829 4.320 -0.000 0.000 0.285 533 K C -1.501 175.081 176.600 -0.030 0.000 1.062 533 K CA -0.239 56.060 56.287 0.020 0.000 0.918 533 K CB 0.677 33.171 32.500 -0.009 0.000 1.055 533 K HN 0.576 nan 8.250 nan 0.000 0.477 534 V N 4.385 124.260 119.914 -0.064 0.000 3.012 534 V HA 0.490 4.610 4.120 -0.000 0.000 0.307 534 V C -1.768 174.239 176.094 -0.145 0.000 1.166 534 V CA -0.784 61.435 62.300 -0.135 0.000 0.974 534 V CB 2.261 34.050 31.823 -0.056 0.000 1.040 534 V HN 0.802 nan 8.190 nan 0.000 0.428 535 K N 3.551 123.814 120.400 -0.229 0.000 2.422 535 K HA 0.483 4.803 4.320 -0.000 0.000 0.251 535 K C -1.199 175.431 176.600 0.050 0.000 0.933 535 K CA -0.856 55.390 56.287 -0.068 0.000 0.798 535 K CB 2.165 34.640 32.500 -0.043 0.000 1.238 535 K HN 0.659 nan 8.250 nan 0.000 0.428 536 N N 0.928 119.699 118.700 0.118 0.000 2.498 536 N HA 0.152 4.892 4.740 -0.000 0.000 0.287 536 N C -0.955 174.659 175.510 0.173 0.000 1.097 536 N CA -0.471 52.670 53.050 0.151 0.000 0.973 536 N CB 1.191 39.790 38.487 0.186 0.000 1.153 536 N HN 0.246 nan 8.380 nan 0.000 0.472 537 V N 2.909 122.922 119.914 0.165 0.000 2.387 537 V HA 0.037 4.157 4.120 -0.000 0.000 0.260 537 V C 0.233 176.427 176.094 0.166 0.000 1.054 537 V CA -0.648 61.745 62.300 0.154 0.000 0.967 537 V CB 0.106 32.004 31.823 0.124 0.000 1.036 537 V HN 0.707 nan 8.190 nan 0.000 0.481 538 D N 4.655 125.164 120.400 0.181 0.000 2.472 538 D HA 0.315 4.955 4.640 -0.000 0.000 0.248 538 D C 1.287 177.707 176.300 0.200 0.000 1.174 538 D CA 1.659 55.790 54.000 0.218 0.000 0.883 538 D CB 0.612 41.578 40.800 0.277 0.000 1.149 538 D HN 0.874 nan 8.370 nan 0.000 0.488 539 G N 2.357 111.269 108.800 0.187 0.000 2.205 539 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.261 539 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.261 539 G C 1.030 176.009 174.900 0.132 0.000 0.980 539 G CA 0.421 45.606 45.100 0.141 0.000 0.632 539 G HN 1.572 nan 8.290 nan 0.000 0.533 540 G N -0.649 108.241 108.800 0.151 0.000 2.578 540 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.275 540 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.275 540 G C 0.714 175.725 174.900 0.185 0.000 1.271 540 G CA 0.823 46.021 45.100 0.163 0.000 0.941 540 G HN 1.478 nan 8.290 nan 0.000 0.564 541 F N 1.638 121.630 119.950 0.071 0.000 2.186 541 F HA 0.060 4.587 4.527 0.000 0.000 0.299 541 F C 2.632 178.498 175.800 0.110 0.000 1.090 541 F CA 2.357 60.405 58.000 0.079 0.000 1.307 541 F CB -0.280 38.731 39.000 0.019 0.000 1.019 541 F HN 0.545 nan 8.300 nan 0.000 0.489 542 K N 0.939 121.381 120.400 0.070 0.000 2.020 542 K HA -0.240 4.080 4.320 -0.000 0.000 0.212 542 K C 1.992 178.517 176.600 -0.125 0.000 1.050 542 K CA 2.224 58.507 56.287 -0.008 0.000 0.929 542 K CB -1.181 31.390 32.500 0.118 0.000 0.714 542 K HN 0.368 nan 8.250 nan 0.000 0.443 543 L N 0.033 121.235 121.223 -0.035 0.000 1.994 543 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 543 L C 2.235 178.955 176.870 -0.249 0.000 1.071 543 L CA 1.997 56.782 54.840 -0.093 0.000 0.745 543 L CB -1.031 40.987 42.059 -0.068 0.000 0.892 543 L HN 0.430 nan 8.230 nan 0.000 0.431 544 Y N 0.264 120.402 120.300 -0.269 0.000 2.081 544 Y HA -0.230 4.320 4.550 -0.000 0.000 0.280 544 Y C 2.266 177.923 175.900 -0.405 0.000 1.163 544 Y CA 2.240 60.197 58.100 -0.239 0.000 1.135 544 Y CB -0.842 37.537 38.460 -0.135 0.000 0.970 544 Y HN 0.241 nan 8.280 nan 0.000 0.498 545 G N -1.675 106.774 108.800 -0.586 0.000 2.443 545 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 545 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 545 G C 1.564 176.189 174.900 -0.458 0.000 1.131 545 G CA 1.325 46.053 45.100 -0.620 0.000 0.775 545 G HN 0.451 nan 8.290 nan 0.000 0.547 546 T N 0.026 114.273 114.554 -0.510 0.000 2.777 546 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 546 T C 2.283 176.646 174.700 -0.561 0.000 1.040 546 T CA 1.241 62.996 62.100 -0.575 0.000 1.141 546 T CB -0.151 68.165 68.868 -0.920 0.000 0.868 546 T HN 0.093 nan 8.240 nan 0.000 0.444 547 V N 0.060 119.602 119.914 -0.620 0.000 2.992 547 V HA 0.364 4.484 4.120 -0.000 0.000 0.250 547 V C 0.615 176.448 176.094 -0.434 0.000 1.090 547 V CA 0.786 62.701 62.300 -0.642 0.000 1.101 547 V CB -0.019 31.198 31.823 -1.011 0.000 0.743 547 V HN 0.400 nan 8.190 nan 0.000 0.468 548 L N 2.127 123.063 121.223 -0.478 0.000 2.839 548 L HA 0.351 4.691 4.340 -0.000 0.000 0.259 548 L C -1.555 175.155 176.870 -0.268 0.000 1.369 548 L CA -0.897 53.729 54.840 -0.357 0.000 0.845 548 L CB 1.213 42.969 42.059 -0.505 0.000 1.181 548 L HN 0.175 nan 8.230 nan 0.000 0.529 549 P HA -0.205 nan 4.420 nan 0.000 0.218 549 P C 1.163 178.474 177.300 0.017 0.000 1.149 549 P CA 1.250 64.301 63.100 -0.081 0.000 0.817 549 P CB 0.244 31.904 31.700 -0.065 0.000 0.785 550 E N 1.120 121.330 120.200 0.016 0.000 2.338 550 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 550 E C 1.590 178.240 176.600 0.083 0.000 1.007 550 E CA 0.826 57.261 56.400 0.059 0.000 0.849 550 E CB -0.592 29.136 29.700 0.048 0.000 0.774 550 E HN 0.306 nan 8.360 nan 0.000 0.506 551 R N 0.538 121.086 120.500 0.079 0.000 2.317 551 R HA 0.321 4.660 4.340 -0.000 0.000 0.208 551 R C 0.682 177.100 176.300 0.197 0.000 0.914 551 R CA -0.160 56.026 56.100 0.144 0.000 1.060 551 R CB 0.140 30.554 30.300 0.190 0.000 1.015 551 R HN 0.167 nan 8.270 nan 0.000 0.498 552 I N 1.836 122.502 120.570 0.160 0.000 2.618 552 I HA -0.025 4.145 4.170 -0.000 0.000 0.284 552 I C 0.168 176.245 176.117 -0.067 0.000 1.146 552 I CA 0.078 61.433 61.300 0.092 0.000 1.425 552 I CB 0.912 38.907 38.000 -0.008 0.000 1.383 552 I HN -0.240 nan 8.210 nan 0.000 0.562 553 V N 7.454 127.290 119.914 -0.130 0.000 2.472 553 V HA 0.339 4.459 4.120 -0.000 0.000 0.290 553 V C -0.392 175.545 176.094 -0.263 0.000 1.037 553 V CA -0.420 61.814 62.300 -0.110 0.000 0.908 553 V CB 1.333 33.130 31.823 -0.044 0.000 0.985 553 V HN 0.437 nan 8.190 nan 0.000 0.454 554 Y N 0.000 120.311 120.300 0.019 0.000 2.660 554 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 554 Y CA 0.000 58.099 58.100 -0.002 0.000 1.940 554 Y CB 0.000 38.468 38.460 0.014 0.000 1.050 554 Y HN 0.000 nan 8.280 nan 0.000 0.758